NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590466 | 2n00 | 25510 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -7.852 -2.642 13.477 2 H2 MET 1 2HT MET 1 -9.381 -2.784 12.769 3 H3 MET 1 3HT MET 1 -9.243 -2.530 14.435 4 HA MET 1 HA MET 1 -9.893 -0.503 13.348 5 HB2 MET 1 2HB MET 1 -8.027 0.941 14.143 6 HB3 MET 1 1HB MET 1 -8.533 -0.261 15.321 7 HG2 MET 1 2HG MET 1 -6.630 -1.665 14.706 8 HG3 MET 1 1HG MET 1 -6.121 -0.455 13.530 9 HE1 MET 1 2HE MET 1 -6.644 -1.263 17.335 10 HE2 MET 1 3HE MET 1 -7.649 0.169 17.106 11 HE3 MET 1 1HE MET 1 -6.188 0.264 18.090 12 H GLU 2 H GLU 2 -8.542 1.474 12.299 13 HA GLU 2 HA GLU 2 -8.336 0.837 9.565 14 HB2 GLU 2 2HB GLU 2 -7.543 3.157 9.291 15 HB3 GLU 2 1HB GLU 2 -8.981 3.058 10.296 16 HG2 GLU 2 2HG GLU 2 -7.536 3.211 12.300 17 HG3 GLU 2 1HG GLU 2 -6.150 3.444 11.234 18 H SER 3 H SER 3 -5.978 0.990 12.122 19 HA SER 3 HA SER 3 -3.635 1.219 10.601 20 HB2 SER 3 2HB SER 3 -3.650 1.494 13.034 21 HB3 SER 3 1HB SER 3 -4.067 -0.208 13.237 22 HG SER 3 HG SER 3 -2.065 -0.734 12.270 23 H GLU 4 H GLU 4 -5.639 -1.550 11.379 24 HA GLU 4 HA GLU 4 -3.776 -3.504 10.426 25 HB2 GLU 4 2HB GLU 4 -6.754 -3.756 10.891 26 HB3 GLU 4 1HB GLU 4 -5.625 -5.087 10.678 27 HG2 GLU 4 2HG GLU 4 -4.456 -4.380 12.731 28 HG3 GLU 4 1HG GLU 4 -5.667 -3.119 12.955 29 H TYR 5 H TYR 5 -6.337 -1.610 9.008 30 HA TYR 5 HA TYR 5 -6.628 -3.179 6.644 31 HB2 TYR 5 2HB TYR 5 -8.458 -1.782 7.301 32 HB3 TYR 5 1HB TYR 5 -7.436 -0.349 7.318 33 HD1 TYR 5 2HD TYR 5 -8.558 -3.020 4.952 34 HD2 TYR 5 1HD TYR 5 -7.539 1.073 5.502 35 HE1 TYR 5 2HE TYR 5 -9.180 -2.558 2.618 36 HE2 TYR 5 1HE TYR 5 -8.158 1.547 3.170 37 HH TYR 5 HH TYR 5 -9.895 -0.630 1.250 38 H ARG 6 H ARG 6 -4.628 -0.428 7.547 39 HA ARG 6 HA ARG 6 -3.688 -0.029 4.848 40 HB2 ARG 6 2HB ARG 6 -2.192 1.659 5.868 41 HB3 ARG 6 1HB ARG 6 -3.884 1.906 6.272 42 HG2 ARG 6 2HG ARG 6 -3.469 0.801 8.456 43 HG3 ARG 6 1HG ARG 6 -1.754 0.730 8.043 44 HD2 ARG 6 2HD ARG 6 -1.728 3.181 7.824 45 HD3 ARG 6 1HD ARG 6 -3.427 3.228 8.294 46 HE ARG 6 HE ARG 6 -1.509 2.018 10.140 47 HH11 ARG 6 1HH1 ARG 6 -3.630 4.660 9.320 48 HH12 ARG 6 2HH1 ARG 6 -3.611 5.338 10.914 49 HH21 ARG 6 1HH2 ARG 6 -1.481 2.905 12.241 50 HH22 ARG 6 2HH2 ARG 6 -2.393 4.339 12.574 51 H GLU 7 H GLU 7 -2.334 -1.328 7.860 52 HA GLU 7 HA GLU 7 0.254 -1.819 6.887 53 HB2 GLU 7 2HB GLU 7 -0.312 -1.799 9.275 54 HB3 GLU 7 1HB GLU 7 -1.253 -3.270 9.067 55 HG2 GLU 7 2HG GLU 7 0.773 -4.475 8.424 56 HG3 GLU 7 1HG GLU 7 1.714 -2.999 8.635 57 H MET 8 H MET 8 -2.502 -4.058 7.219 58 HA MET 8 HA MET 8 -1.175 -6.278 6.101 59 HB2 MET 8 2HB MET 8 -3.159 -6.517 7.494 60 HB3 MET 8 1HB MET 8 -4.131 -5.690 6.284 61 HG2 MET 8 2HG MET 8 -4.449 -8.109 6.221 62 HG3 MET 8 1HG MET 8 -3.774 -7.492 4.714 63 HE1 MET 8 3HE MET 8 -3.761 -10.564 5.385 64 HE2 MET 8 1HE MET 8 -2.113 -11.018 4.951 65 HE3 MET 8 2HE MET 8 -3.018 -9.900 3.930 66 H LEU 9 H LEU 9 -3.471 -3.979 4.630 67 HA LEU 9 HA LEU 9 -3.617 -5.148 2.111 68 HB2 LEU 9 2HB LEU 9 -5.070 -3.324 2.939 69 HB3 LEU 9 1HB LEU 9 -3.736 -2.205 2.745 70 HG LEU 9 HG LEU 9 -4.567 -3.765 0.354 71 HD11 LEU 9 1HD1 LEU 9 -6.136 -1.439 1.455 72 HD12 LEU 9 2HD1 LEU 9 -6.711 -3.094 1.262 73 HD13 LEU 9 3HD1 LEU 9 -6.322 -2.123 -0.159 74 HD21 LEU 9 3HD2 LEU 9 -3.631 -0.942 0.850 75 HD22 LEU 9 1HD2 LEU 9 -4.052 -1.592 -0.733 76 HD23 LEU 9 2HD2 LEU 9 -2.693 -2.267 0.165 77 H LEU 10 H LEU 10 -1.145 -3.042 3.445 78 HA LEU 10 HA LEU 10 0.116 -2.562 0.911 79 HB2 LEU 10 2HB LEU 10 0.977 -2.064 3.750 80 HB3 LEU 10 1HB LEU 10 1.985 -1.674 2.369 81 HG LEU 10 HG LEU 10 -0.768 -0.529 2.832 82 HD11 LEU 10 1HD1 LEU 10 0.849 0.156 4.564 83 HD12 LEU 10 2HD1 LEU 10 0.340 1.493 3.535 84 HD13 LEU 10 3HD1 LEU 10 1.921 0.750 3.296 85 HD21 LEU 10 3HD2 LEU 10 1.422 0.207 0.891 86 HD22 LEU 10 1HD2 LEU 10 -0.102 1.071 1.100 87 HD23 LEU 10 2HD2 LEU 10 -0.102 -0.583 0.488 88 H LEU 11 H LEU 11 1.168 -4.362 3.814 89 HA LEU 11 HA LEU 11 3.462 -5.459 2.721 90 HB2 LEU 11 2HB LEU 11 3.442 -7.036 4.512 91 HB3 LEU 11 1HB LEU 11 2.867 -5.499 5.114 92 HG LEU 11 HG LEU 11 0.495 -6.542 4.667 93 HD11 LEU 11 1HD1 LEU 11 0.531 -8.983 5.192 94 HD12 LEU 11 2HD1 LEU 11 2.271 -8.964 4.906 95 HD13 LEU 11 3HD1 LEU 11 1.157 -8.573 3.596 96 HD21 LEU 11 3HD2 LEU 11 0.485 -7.370 6.967 97 HD22 LEU 11 1HD2 LEU 11 1.349 -5.838 6.836 98 HD23 LEU 11 2HD2 LEU 11 2.248 -7.349 6.982 99 H THR 12 H THR 12 0.163 -6.346 2.147 100 HA THR 12 HA THR 12 0.498 -9.004 1.323 101 HB THR 12 HB THR 12 -1.483 -6.990 0.234 102 HG1 THR 12 1HG THR 12 -2.785 -7.622 1.893 103 HG21 THR 12 3HG2 THR 12 -1.518 -10.011 0.223 104 HG22 THR 12 1HG2 THR 12 -1.302 -8.969 -1.183 105 HG23 THR 12 2HG2 THR 12 -2.836 -8.970 -0.314 106 H GLY 13 H GLY 13 1.104 -5.971 -0.323 107 HA2 GLY 13 2HA GLY 13 1.648 -7.350 -2.841 108 HA3 GLY 13 1HA GLY 13 1.604 -5.611 -2.600 109 H LEU 14 H LEU 14 3.373 -5.421 -0.410 110 HA LEU 14 HA LEU 14 5.840 -5.287 -1.718 111 HB2 LEU 14 2HB LEU 14 5.067 -5.214 1.184 112 HB3 LEU 14 1HB LEU 14 6.750 -5.154 0.702 113 HG LEU 14 HG LEU 14 5.939 -2.919 1.132 114 HD11 LEU 14 1HD1 LEU 14 6.230 -3.312 -1.841 115 HD12 LEU 14 2HD1 LEU 14 7.571 -3.281 -0.695 116 HD13 LEU 14 3HD1 LEU 14 6.570 -1.846 -0.919 117 HD21 LEU 14 3HD2 LEU 14 4.163 -1.929 -0.266 118 HD22 LEU 14 1HD2 LEU 14 3.577 -3.238 0.760 119 HD23 LEU 14 2HD2 LEU 14 3.852 -3.521 -0.958 120 H ASP 15 H ASP 15 4.431 -7.812 0.279 121 HA ASP 15 HA ASP 15 6.858 -9.364 0.371 122 HB2 ASP 15 2HB ASP 15 5.222 -9.395 2.225 123 HB3 ASP 15 1HB ASP 15 4.038 -10.132 1.151 124 H HIS 16 H HIS 16 4.638 -8.830 -2.035 125 HA HIS 16 HA HIS 16 5.037 -11.524 -3.163 126 HB2 HIS 16 2HB HIS 16 2.795 -9.556 -3.630 127 HB3 HIS 16 1HB HIS 16 3.021 -11.025 -4.571 128 HD1 HIS 16 1HD HIS 16 0.413 -10.942 -3.203 129 HD2 HIS 16 2HD HIS 16 3.838 -12.271 -1.262 130 HE1 HIS 16 1HE HIS 16 -0.374 -12.382 -1.280 131 H ILE 17 H ILE 17 6.037 -8.360 -3.449 132 HA ILE 17 HA ILE 17 6.496 -8.604 -6.345 133 HB ILE 17 HB ILE 17 6.994 -6.202 -6.335 134 HG12 ILE 17 2HG1 ILE 17 6.138 -6.252 -3.432 135 HG13 ILE 17 1HG1 ILE 17 7.810 -6.125 -3.966 136 HG21 ILE 17 1HG2 ILE 17 4.738 -6.893 -6.813 137 HG22 ILE 17 2HG2 ILE 17 4.696 -5.410 -5.859 138 HG23 ILE 17 3HG2 ILE 17 4.354 -6.963 -5.094 139 HD11 ILE 17 3HD1 ILE 17 7.190 -4.029 -5.159 140 HD12 ILE 17 1HD1 ILE 17 7.036 -3.949 -3.405 141 HD13 ILE 17 2HD1 ILE 17 5.599 -4.138 -4.407 142 H THR 18 H THR 18 8.585 -7.891 -7.183 143 HA THR 18 HA THR 18 10.747 -8.921 -5.536 144 HB THR 18 HB THR 18 12.119 -8.659 -7.612 145 HG1 THR 18 1HG THR 18 9.703 -8.193 -9.000 146 HG21 THR 18 3HG2 THR 18 11.043 -10.782 -7.115 147 HG22 THR 18 1HG2 THR 18 11.013 -10.478 -8.851 148 HG23 THR 18 2HG2 THR 18 9.556 -10.233 -7.887 149 H GLU 19 H GLU 19 12.909 -7.753 -5.742 150 HA GLU 19 HA GLU 19 12.645 -5.175 -4.592 151 HB2 GLU 19 2HB GLU 19 15.143 -5.137 -4.737 152 HB3 GLU 19 1HB GLU 19 14.487 -6.553 -3.926 153 HG2 GLU 19 2HG GLU 19 14.759 -7.826 -6.031 154 HG3 GLU 19 1HG GLU 19 15.533 -6.412 -6.745 155 H GLU 20 H GLU 20 13.421 -6.322 -7.822 156 HA GLU 20 HA GLU 20 14.315 -3.858 -8.873 157 HB2 GLU 20 2HB GLU 20 13.838 -4.894 -11.091 158 HB3 GLU 20 1HB GLU 20 14.834 -5.889 -10.039 159 HG2 GLU 20 2HG GLU 20 12.858 -7.220 -9.451 160 HG3 GLU 20 1HG GLU 20 11.888 -6.237 -10.548 161 H GLU 21 H GLU 21 11.119 -5.413 -8.877 162 HA GLU 21 HA GLU 21 9.860 -3.271 -10.290 163 HB2 GLU 21 2HB GLU 21 8.735 -5.567 -8.683 164 HB3 GLU 21 1HB GLU 21 7.738 -4.412 -9.559 165 HG2 GLU 21 2HG GLU 21 9.811 -6.216 -10.790 166 HG3 GLU 21 1HG GLU 21 8.070 -6.494 -10.801 167 H LEU 22 H LEU 22 10.510 -4.000 -6.962 168 HA LEU 22 HA LEU 22 8.627 -2.418 -5.666 169 HB2 LEU 22 2HB LEU 22 10.111 -3.992 -4.520 170 HB3 LEU 22 1HB LEU 22 11.491 -2.979 -4.891 171 HG LEU 22 HG LEU 22 9.261 -1.781 -3.317 172 HD11 LEU 22 1HD1 LEU 22 9.592 -3.949 -2.251 173 HD12 LEU 22 2HD1 LEU 22 10.215 -2.647 -1.239 174 HD13 LEU 22 3HD1 LEU 22 11.328 -3.651 -2.167 175 HD21 LEU 22 3HD2 LEU 22 12.266 -1.521 -3.284 176 HD22 LEU 22 1HD2 LEU 22 11.163 -0.641 -2.227 177 HD23 LEU 22 2HD2 LEU 22 11.115 -0.375 -3.968 178 H LYS 23 H LYS 23 11.747 -1.551 -7.068 179 HA LYS 23 HA LYS 23 11.932 1.066 -6.112 180 HB2 LYS 23 2HB LYS 23 12.943 -0.056 -8.730 181 HB3 LYS 23 1HB LYS 23 13.473 1.451 -7.994 182 HG2 LYS 23 2HG LYS 23 14.302 0.173 -6.052 183 HG3 LYS 23 1HG LYS 23 13.844 -1.320 -6.873 184 HD2 LYS 23 2HD LYS 23 15.365 -0.754 -8.720 185 HD3 LYS 23 1HD LYS 23 15.837 0.717 -7.866 186 HE2 LYS 23 2HE LYS 23 16.685 -0.643 -6.011 187 HE3 LYS 23 1HE LYS 23 16.222 -2.107 -6.877 188 HZ1 LYS 23 3HZ LYS 23 17.764 -1.492 -8.645 189 HZ2 LYS 23 1HZ LYS 23 18.565 -1.643 -7.162 190 HZ3 LYS 23 2HZ LYS 23 18.222 -0.109 -7.786 191 H ARG 24 H ARG 24 10.055 -0.274 -8.736 192 HA ARG 24 HA ARG 24 9.489 2.212 -10.012 193 HB2 ARG 24 2HB ARG 24 8.344 -0.552 -10.198 194 HB3 ARG 24 1HB ARG 24 7.525 0.795 -10.978 195 HG2 ARG 24 2HG ARG 24 8.860 -0.119 -12.650 196 HG3 ARG 24 1HG ARG 24 9.768 1.287 -12.090 197 HD2 ARG 24 2HD ARG 24 11.127 -0.192 -10.663 198 HD3 ARG 24 1HD ARG 24 10.244 -1.583 -11.294 199 HE ARG 24 HE ARG 24 11.680 0.158 -13.160 200 HH11 ARG 24 1HH1 ARG 24 11.355 -2.920 -11.559 201 HH12 ARG 24 2HH1 ARG 24 12.454 -3.733 -12.622 202 HH21 ARG 24 1HH2 ARG 24 13.123 -0.903 -14.564 203 HH22 ARG 24 2HH2 ARG 24 13.453 -2.587 -14.337 204 H PHE 25 H PHE 25 7.767 0.217 -7.638 205 HA PHE 25 HA PHE 25 5.385 1.683 -7.561 206 HB2 PHE 25 2HB PHE 25 5.723 -0.557 -6.524 207 HB3 PHE 25 1HB PHE 25 6.679 0.207 -5.260 208 HD1 PHE 25 2HD PHE 25 3.337 0.592 -6.878 209 HD2 PHE 25 1HD PHE 25 5.614 0.683 -3.285 210 HE1 PHE 25 2HE PHE 25 1.284 1.019 -5.592 211 HE2 PHE 25 1HE PHE 25 3.564 1.110 -1.992 212 HZ PHE 25 HZ PHE 25 1.396 1.279 -3.146 213 H LYS 26 H LYS 26 8.255 1.954 -5.472 214 HA LYS 26 HA LYS 26 7.330 4.080 -3.900 215 HB2 LYS 26 2HB LYS 26 10.065 3.049 -4.582 216 HB3 LYS 26 1HB LYS 26 9.880 4.509 -3.622 217 HG2 LYS 26 2HG LYS 26 10.203 2.591 -2.190 218 HG3 LYS 26 1HG LYS 26 8.584 3.254 -1.967 219 HD2 LYS 26 2HD LYS 26 7.626 1.506 -3.315 220 HD3 LYS 26 1HD LYS 26 9.228 0.900 -3.738 221 HE2 LYS 26 2HE LYS 26 8.039 -0.407 -1.963 222 HE3 LYS 26 1HE LYS 26 9.634 0.185 -1.507 223 HZ1 LYS 26 3HZ LYS 26 7.069 1.491 -0.784 224 HZ2 LYS 26 1HZ LYS 26 8.612 1.973 -0.286 225 HZ3 LYS 26 2HZ LYS 26 7.973 0.500 0.246 226 H TYR 27 H TYR 27 9.149 4.068 -6.931 227 HA TYR 27 HA TYR 27 9.588 6.871 -7.011 228 HB2 TYR 27 2HB TYR 27 10.961 5.254 -8.272 229 HB3 TYR 27 1HB TYR 27 9.572 4.874 -9.284 230 HD1 TYR 27 1HD TYR 27 12.095 7.422 -8.473 231 HD2 TYR 27 2HD TYR 27 8.867 6.369 -11.036 232 HE1 TYR 27 1HE TYR 27 12.720 9.244 -10.000 233 HE2 TYR 27 2HE TYR 27 9.484 8.186 -12.572 234 HH TYR 27 HH TYR 27 12.437 9.838 -12.375 235 H PHE 28 H PHE 28 6.918 4.845 -7.954 236 HA PHE 28 HA PHE 28 5.730 6.813 -9.686 237 HB2 PHE 28 2HB PHE 28 5.466 4.192 -9.668 238 HB3 PHE 28 1HB PHE 28 4.161 4.545 -8.540 239 HD1 PHE 28 1HD PHE 28 2.227 5.900 -9.273 240 HD2 PHE 28 2HD PHE 28 5.260 4.645 -11.981 241 HE1 PHE 28 1HE PHE 28 0.732 6.385 -11.167 242 HE2 PHE 28 2HE PHE 28 3.771 5.129 -13.880 243 HZ PHE 28 HZ PHE 28 1.504 6.000 -13.474 244 H ALA 29 H ALA 29 4.744 5.419 -6.539 245 HA ALA 29 HA ALA 29 2.699 7.370 -6.149 246 HB1 ALA 29 1HB ALA 29 2.581 6.425 -3.846 247 HB2 ALA 29 2HB ALA 29 3.959 5.400 -4.249 248 HB3 ALA 29 3HB ALA 29 2.441 5.221 -5.128 249 H LEU 30 H LEU 30 5.861 6.855 -4.577 250 HA LEU 30 HA LEU 30 5.681 9.545 -3.439 251 HB2 LEU 30 2HB LEU 30 7.751 7.422 -2.882 252 HB3 LEU 30 1HB LEU 30 7.492 8.902 -1.982 253 HG LEU 30 HG LEU 30 6.543 7.272 -0.627 254 HD11 LEU 30 1HD1 LEU 30 4.130 7.607 -0.681 255 HD12 LEU 30 2HD1 LEU 30 4.257 8.287 -2.303 256 HD13 LEU 30 3HD1 LEU 30 4.998 9.119 -0.936 257 HD21 LEU 30 3HD2 LEU 30 5.117 5.460 -1.405 258 HD22 LEU 30 1HD2 LEU 30 6.678 5.430 -2.224 259 HD23 LEU 30 2HD2 LEU 30 5.255 6.049 -3.060 260 H THR 31 H THR 31 6.164 10.850 -5.181 261 HA THR 31 HA THR 31 8.618 10.382 -6.672 262 HB THR 31 HB THR 31 7.930 12.288 -8.049 263 HG1 THR 31 1HG THR 31 6.619 13.701 -7.187 264 HG21 THR 31 3HG2 THR 31 5.869 11.334 -8.974 265 HG22 THR 31 1HG2 THR 31 5.671 10.354 -7.522 266 HG23 THR 31 2HG2 THR 31 7.042 10.073 -8.595 267 H GLU 32 H GLU 32 7.215 12.974 -4.665 268 HA GLU 32 HA GLU 32 9.836 14.259 -4.522 269 HB2 GLU 32 2HB GLU 32 8.645 16.144 -3.507 270 HB3 GLU 32 1HB GLU 32 7.931 15.685 -5.048 271 HG2 GLU 32 2HG GLU 32 6.155 14.493 -3.873 272 HG3 GLU 32 1HG GLU 32 6.873 14.948 -2.329 273 H PHE 33 H PHE 33 8.283 11.901 -2.841 274 HA PHE 33 HA PHE 33 9.072 12.846 -0.194 275 HB2 PHE 33 2HB PHE 33 7.669 10.307 -1.044 276 HB3 PHE 33 1HB PHE 33 7.983 10.780 0.622 277 HD1 PHE 33 1HD PHE 33 7.082 13.174 1.265 278 HD2 PHE 33 2HD PHE 33 5.616 10.806 -1.957 279 HE1 PHE 33 1HE PHE 33 4.965 14.425 1.315 280 HE2 PHE 33 2HE PHE 33 3.497 12.057 -1.913 281 HZ PHE 33 HZ PHE 33 3.169 13.868 -0.275 282 H GLN 34 H GLN 34 10.160 10.714 -2.690 283 HA GLN 34 HA GLN 34 11.870 9.193 -2.822 284 HB2 GLN 34 2HB GLN 34 13.220 11.288 -1.116 285 HB3 GLN 34 1HB GLN 34 14.019 10.118 -2.154 286 HG2 GLN 34 2HG GLN 34 13.033 11.149 -4.116 287 HG3 GLN 34 1HG GLN 34 12.169 12.296 -3.093 288 HE21 GLN 34 1HE2 GLN 34 14.120 12.778 -5.209 289 HE22 GLN 34 2HE2 GLN 34 15.402 13.682 -4.482 290 H ILE 35 H ILE 35 10.511 7.764 -1.306 291 HA ILE 35 HA ILE 35 11.087 7.520 1.413 292 HB ILE 35 HB ILE 35 10.095 5.526 -0.606 293 HG12 ILE 35 2HG1 ILE 35 8.855 6.913 1.780 294 HG13 ILE 35 1HG1 ILE 35 8.559 7.291 0.089 295 HG21 ILE 35 1HG2 ILE 35 11.349 4.200 0.962 296 HG22 ILE 35 2HG2 ILE 35 9.629 3.992 1.290 297 HG23 ILE 35 3HG2 ILE 35 10.603 5.035 2.325 298 HD11 ILE 35 3HD1 ILE 35 7.516 5.105 -0.216 299 HD12 ILE 35 1HD1 ILE 35 6.716 6.037 1.051 300 HD13 ILE 35 2HD1 ILE 35 7.817 4.726 1.479 301 H ALA 36 H ALA 36 12.610 6.490 2.587 302 HA ALA 36 HA ALA 36 15.176 6.136 1.530 303 HB1 ALA 36 1HB ALA 36 15.768 5.246 3.717 304 HB2 ALA 36 2HB ALA 36 14.059 5.060 4.114 305 HB3 ALA 36 3HB ALA 36 14.739 6.669 3.871 306 H ARG 37 H ARG 37 16.186 4.503 0.584 307 HA ARG 37 HA ARG 37 14.827 2.144 -0.192 308 HB2 ARG 37 2HB ARG 37 16.944 1.467 -1.181 309 HB3 ARG 37 1HB ARG 37 16.626 3.162 -1.530 310 HG2 ARG 37 2HG ARG 37 18.227 3.882 0.062 311 HG3 ARG 37 1HG ARG 37 18.388 2.259 0.732 312 HD2 ARG 37 2HD ARG 37 19.196 3.128 -2.040 313 HD3 ARG 37 1HD ARG 37 20.287 2.813 -0.691 314 HE ARG 37 HE ARG 37 18.999 0.480 -0.901 315 HH11 ARG 37 1HH1 ARG 37 20.501 2.505 -3.309 316 HH12 ARG 37 2HH1 ARG 37 20.930 1.180 -4.340 317 HH21 ARG 37 1HH2 ARG 37 19.565 -1.267 -2.251 318 HH22 ARG 37 2HH2 ARG 37 20.400 -0.963 -3.737 319 H SER 38 H SER 38 16.934 2.911 2.483 320 HA SER 38 HA SER 38 17.616 0.238 3.164 321 HB2 SER 38 2HB SER 38 18.375 1.211 5.305 322 HB3 SER 38 1HB SER 38 18.974 2.121 3.918 323 HG SER 38 HG SER 38 16.632 3.148 4.620 324 H THR 39 H THR 39 15.054 2.436 4.185 325 HA THR 39 HA THR 39 14.047 0.831 6.288 326 HB THR 39 HB THR 39 12.057 2.245 6.202 327 HG1 THR 39 1HG THR 39 11.915 3.836 4.538 328 HG21 THR 39 3HG2 THR 39 13.132 4.414 6.553 329 HG22 THR 39 1HG2 THR 39 14.596 3.822 5.767 330 HG23 THR 39 2HG2 THR 39 14.070 3.119 7.297 331 H LEU 40 H LEU 40 13.803 0.541 2.895 332 HA LEU 40 HA LEU 40 11.326 -0.488 2.382 333 HB2 LEU 40 2HB LEU 40 13.961 -1.479 1.304 334 HB3 LEU 40 1HB LEU 40 12.394 -1.847 0.608 335 HG LEU 40 HG LEU 40 13.601 0.912 0.825 336 HD11 LEU 40 1HD1 LEU 40 13.743 0.738 -1.644 337 HD12 LEU 40 2HD1 LEU 40 13.303 -0.965 -1.510 338 HD13 LEU 40 3HD1 LEU 40 14.805 -0.383 -0.793 339 HD21 LEU 40 3HD2 LEU 40 11.199 1.030 0.934 340 HD22 LEU 40 1HD2 LEU 40 11.046 -0.061 -0.443 341 HD23 LEU 40 2HD2 LEU 40 11.731 1.549 -0.665 342 H ASP 41 H ASP 41 13.815 -1.963 4.289 343 HA ASP 41 HA ASP 41 13.150 -4.655 4.110 344 HB2 ASP 41 2HB ASP 41 15.136 -3.820 5.295 345 HB3 ASP 41 1HB ASP 41 14.104 -3.150 6.555 346 H VAL 42 H VAL 42 11.991 -2.320 6.545 347 HA VAL 42 HA VAL 42 9.726 -4.119 7.103 348 HB VAL 42 HB VAL 42 9.439 -2.744 9.175 349 HG11 VAL 42 1HG1 VAL 42 10.598 -4.897 9.225 350 HG12 VAL 42 2HG1 VAL 42 11.298 -3.767 10.386 351 HG13 VAL 42 3HG1 VAL 42 12.122 -4.088 8.859 352 HG21 VAL 42 3HG2 VAL 42 10.545 -0.722 8.439 353 HG22 VAL 42 1HG2 VAL 42 12.082 -1.578 8.320 354 HG23 VAL 42 2HG2 VAL 42 11.324 -1.341 9.895 355 H ALA 43 H ALA 43 10.207 -1.867 5.004 356 HA ALA 43 HA ALA 43 8.493 0.249 5.565 357 HB1 ALA 43 1HB ALA 43 10.090 0.305 3.728 358 HB2 ALA 43 2HB ALA 43 8.455 0.700 3.190 359 HB3 ALA 43 3HB ALA 43 9.129 -0.899 2.866 360 H ASP 44 H ASP 44 7.767 -2.960 4.474 361 HA ASP 44 HA ASP 44 5.257 -2.464 3.351 362 HB2 ASP 44 2HB ASP 44 4.755 -4.846 3.912 363 HB3 ASP 44 1HB ASP 44 6.283 -4.618 3.069 364 H ARG 45 H ARG 45 6.015 -3.443 6.718 365 HA ARG 45 HA ARG 45 3.280 -2.969 7.479 366 HB2 ARG 45 2HB ARG 45 4.128 -3.538 9.788 367 HB3 ARG 45 1HB ARG 45 4.265 -4.791 8.565 368 HG2 ARG 45 2HG ARG 45 6.653 -4.114 8.258 369 HG3 ARG 45 1HG ARG 45 6.462 -3.046 9.648 370 HD2 ARG 45 2HD ARG 45 6.007 -6.024 9.667 371 HD3 ARG 45 1HD ARG 45 7.459 -5.213 10.252 372 HE ARG 45 HE ARG 45 5.210 -4.133 11.547 373 HH11 ARG 45 1HH1 ARG 45 7.086 -7.066 11.417 374 HH12 ARG 45 2HH1 ARG 45 6.730 -7.519 13.050 375 HH21 ARG 45 1HH2 ARG 45 4.735 -4.722 13.698 376 HH22 ARG 45 2HH2 ARG 45 5.398 -6.183 14.349 377 H THR 46 H THR 46 6.345 -1.555 8.672 378 HA THR 46 HA THR 46 4.897 0.490 10.088 379 HB THR 46 HB THR 46 7.096 1.236 10.885 380 HG1 THR 46 1HG THR 46 8.931 0.291 10.158 381 HG21 THR 46 3HG2 THR 46 6.639 -1.743 11.072 382 HG22 THR 46 1HG2 THR 46 5.873 -0.516 12.081 383 HG23 THR 46 2HG2 THR 46 7.614 -0.776 12.177 384 H GLU 47 H GLU 47 7.456 0.709 7.581 385 HA GLU 47 HA GLU 47 7.423 3.530 7.557 386 HB2 GLU 47 2HB GLU 47 9.053 1.571 6.547 387 HB3 GLU 47 1HB GLU 47 8.376 2.301 5.096 388 HG2 GLU 47 2HG GLU 47 9.770 3.804 7.297 389 HG3 GLU 47 1HG GLU 47 10.488 3.337 5.757 390 H LEU 48 H LEU 48 6.279 1.371 4.935 391 HA LEU 48 HA LEU 48 5.242 3.431 3.372 392 HB2 LEU 48 2HB LEU 48 4.697 0.497 3.501 393 HB3 LEU 48 1HB LEU 48 3.691 1.518 2.496 394 HG LEU 48 HG LEU 48 6.690 1.276 2.248 395 HD11 LEU 48 1HD1 LEU 48 4.491 0.133 0.531 396 HD12 LEU 48 2HD1 LEU 48 5.539 -0.785 1.611 397 HD13 LEU 48 3HD1 LEU 48 6.221 0.033 0.206 398 HD21 LEU 48 3HD2 LEU 48 5.818 3.458 1.557 399 HD22 LEU 48 1HD2 LEU 48 4.660 2.659 0.494 400 HD23 LEU 48 2HD2 LEU 48 6.389 2.525 0.176 401 H ALA 49 H ALA 49 3.706 1.538 5.917 402 HA ALA 49 HA ALA 49 1.074 2.412 5.484 403 HB1 ALA 49 1HB ALA 49 0.614 1.675 7.747 404 HB2 ALA 49 2HB ALA 49 2.341 1.628 8.102 405 HB3 ALA 49 3HB ALA 49 1.654 0.515 6.919 406 H ASP 50 H ASP 50 3.431 3.642 7.871 407 HA ASP 50 HA ASP 50 1.788 5.814 8.665 408 HB2 ASP 50 2HB ASP 50 4.729 5.270 9.065 409 HB3 ASP 50 1HB ASP 50 3.888 6.644 9.778 410 H HIS 51 H HIS 51 4.313 5.491 6.249 411 HA HIS 51 HA HIS 51 4.890 8.197 5.852 412 HB2 HIS 51 2HB HIS 51 6.237 6.315 4.966 413 HB3 HIS 51 1HB HIS 51 4.974 6.002 3.780 414 HD1 HIS 51 1HD HIS 51 7.848 8.257 4.484 415 HD2 HIS 51 2HD HIS 51 4.746 7.932 1.740 416 HE1 HIS 51 1HE HIS 51 8.422 9.815 2.575 417 H LEU 52 H LEU 52 2.729 6.147 3.854 418 HA LEU 52 HA LEU 52 1.856 8.185 2.187 419 HB2 LEU 52 2HB LEU 52 -0.168 6.733 1.801 420 HB3 LEU 52 1HB LEU 52 1.393 6.000 1.495 421 HG LEU 52 HG LEU 52 1.104 5.104 3.955 422 HD11 LEU 52 1HD1 LEU 52 -1.770 5.357 3.104 423 HD12 LEU 52 2HD1 LEU 52 -1.005 6.410 4.292 424 HD13 LEU 52 3HD1 LEU 52 -1.143 4.681 4.607 425 HD21 LEU 52 3HD2 LEU 52 -0.004 3.099 3.003 426 HD22 LEU 52 1HD2 LEU 52 1.349 3.684 2.034 427 HD23 LEU 52 2HD2 LEU 52 -0.307 4.016 1.528 428 H ILE 53 H ILE 53 0.745 7.338 5.404 429 HA ILE 53 HA ILE 53 -1.713 8.645 5.442 430 HB ILE 53 HB ILE 53 0.291 8.340 7.681 431 HG12 ILE 53 2HG1 ILE 53 -2.223 6.763 7.099 432 HG13 ILE 53 1HG1 ILE 53 -0.612 6.249 6.614 433 HG21 ILE 53 1HG2 ILE 53 -1.229 10.145 8.211 434 HG22 ILE 53 2HG2 ILE 53 -1.622 8.733 9.192 435 HG23 ILE 53 3HG2 ILE 53 -2.616 9.139 7.793 436 HD11 ILE 53 3HD1 ILE 53 -1.591 6.656 9.429 437 HD12 ILE 53 1HD1 ILE 53 0.059 6.225 8.982 438 HD13 ILE 53 2HD1 ILE 53 -1.267 5.117 8.633 439 H GLN 54 H GLN 54 1.535 9.938 5.811 440 HA GLN 54 HA GLN 54 0.704 12.539 6.633 441 HB2 GLN 54 2HB GLN 54 2.941 11.574 7.122 442 HB3 GLN 54 1HB GLN 54 3.336 11.694 5.413 443 HG2 GLN 54 2HG GLN 54 4.333 13.549 6.448 444 HG3 GLN 54 1HG GLN 54 2.914 14.169 5.607 445 HE21 GLN 54 1HE2 GLN 54 4.376 15.309 7.842 446 HE22 GLN 54 2HE2 GLN 54 3.236 15.491 9.128 447 H SER 55 H SER 55 1.154 10.991 3.546 448 HA SER 55 HA SER 55 1.408 13.384 2.016 449 HB2 SER 55 2HB SER 55 2.240 11.261 1.156 450 HB3 SER 55 1HB SER 55 0.610 10.590 1.176 451 HG SER 55 HG SER 55 1.747 12.474 -0.552 452 H ALA 56 H ALA 56 -1.314 11.062 2.262 453 HA ALA 56 HA ALA 56 -3.117 13.319 1.672 454 HB1 ALA 56 1HB ALA 56 -4.555 11.809 0.422 455 HB2 ALA 56 2HB ALA 56 -3.445 10.473 0.734 456 HB3 ALA 56 3HB ALA 56 -2.930 11.835 -0.261 457 H GLY 57 H GLY 57 -2.661 10.285 3.390 458 HA2 GLY 57 2HA GLY 57 -3.745 10.747 5.753 459 HA3 GLY 57 1HA GLY 57 -5.208 10.613 4.788 460 H ALA 58 H ALA 58 -5.280 8.850 6.634 461 HA ALA 58 HA ALA 58 -3.792 6.464 6.186 462 HB1 ALA 58 1HB ALA 58 -4.733 7.029 8.375 463 HB2 ALA 58 2HB ALA 58 -5.285 5.449 7.817 464 HB3 ALA 58 3HB ALA 58 -6.360 6.843 7.720 465 H ALA 59 H ALA 59 -7.323 6.882 5.955 466 HA ALA 59 HA ALA 59 -7.659 4.597 4.315 467 HB1 ALA 59 1HB ALA 59 -9.577 6.876 4.779 468 HB2 ALA 59 2HB ALA 59 -9.406 5.455 5.810 469 HB3 ALA 59 3HB ALA 59 -9.979 5.277 4.153 470 H SER 60 H SER 60 -7.617 8.068 3.605 471 HA SER 60 HA SER 60 -8.400 8.002 0.947 472 HB2 SER 60 2HB SER 60 -6.426 9.876 2.266 473 HB3 SER 60 1HB SER 60 -7.223 10.162 0.719 474 HG SER 60 HG SER 60 -8.529 9.819 3.217 475 H ALA 61 H ALA 61 -5.114 7.690 2.272 476 HA ALA 61 HA ALA 61 -3.847 7.562 -0.266 477 HB1 ALA 61 1HB ALA 61 -1.868 6.841 0.979 478 HB2 ALA 61 2HB ALA 61 -2.856 6.652 2.428 479 HB3 ALA 61 3HB ALA 61 -2.633 8.249 1.714 480 H VAL 62 H VAL 62 -4.661 5.015 2.104 481 HA VAL 62 HA VAL 62 -3.650 2.857 0.650 482 HB VAL 62 HB VAL 62 -6.011 2.860 2.541 483 HG11 VAL 62 1HG1 VAL 62 -4.257 0.586 1.613 484 HG12 VAL 62 2HG1 VAL 62 -5.948 0.837 1.180 485 HG13 VAL 62 3HG1 VAL 62 -5.508 0.479 2.851 486 HG21 VAL 62 3HG2 VAL 62 -3.893 3.770 3.475 487 HG22 VAL 62 1HG2 VAL 62 -3.117 2.231 3.103 488 HG23 VAL 62 2HG2 VAL 62 -4.440 2.292 4.268 489 H THR 63 H THR 63 -6.665 4.600 0.332 490 HA THR 63 HA THR 63 -8.078 2.711 -1.211 491 HB THR 63 HB THR 63 -8.320 5.728 -1.210 492 HG1 THR 63 1HG THR 63 -8.848 4.037 0.685 493 HG21 THR 63 3HG2 THR 63 -9.324 4.783 -3.218 494 HG22 THR 63 1HG2 THR 63 -10.580 5.332 -2.110 495 HG23 THR 63 2HG2 THR 63 -10.213 3.612 -2.244 496 H LYS 64 H LYS 64 -6.250 5.599 -2.249 497 HA LYS 64 HA LYS 64 -6.450 4.968 -5.020 498 HB2 LYS 64 2HB LYS 64 -4.830 6.785 -5.339 499 HB3 LYS 64 1HB LYS 64 -6.133 7.267 -4.259 500 HG2 LYS 64 2HG LYS 64 -4.770 7.356 -2.426 501 HG3 LYS 64 1HG LYS 64 -3.638 6.167 -3.073 502 HD2 LYS 64 2HD LYS 64 -2.787 7.793 -4.653 503 HD3 LYS 64 1HD LYS 64 -3.969 8.983 -4.102 504 HE2 LYS 64 2HE LYS 64 -1.806 9.431 -3.103 505 HE3 LYS 64 1HE LYS 64 -2.954 8.929 -1.864 506 HZ1 LYS 64 3HZ LYS 64 -0.815 7.857 -1.568 507 HZ2 LYS 64 1HZ LYS 64 -0.900 7.192 -3.122 508 HZ3 LYS 64 2HZ LYS 64 -2.002 6.708 -1.933 509 H ALA 65 H ALA 65 -4.274 4.074 -2.490 510 HA ALA 65 HA ALA 65 -1.944 3.478 -3.863 511 HB1 ALA 65 1HB ALA 65 -1.445 1.909 -2.072 512 HB2 ALA 65 2HB ALA 65 -3.135 1.926 -1.566 513 HB3 ALA 65 3HB ALA 65 -2.156 3.385 -1.421 514 H ILE 66 H ILE 66 -4.979 1.777 -3.772 515 HA ILE 66 HA ILE 66 -4.070 -0.699 -4.814 516 HB ILE 66 HB ILE 66 -6.813 0.559 -4.860 517 HG12 ILE 66 2HG1 ILE 66 -5.931 0.071 -2.613 518 HG13 ILE 66 1HG1 ILE 66 -7.287 -0.977 -3.012 519 HG21 ILE 66 1HG2 ILE 66 -5.969 -2.245 -5.575 520 HG22 ILE 66 2HG2 ILE 66 -6.676 -1.041 -6.654 521 HG23 ILE 66 3HG2 ILE 66 -7.638 -1.722 -5.342 522 HD11 ILE 66 3HD1 ILE 66 -5.531 -2.203 -1.877 523 HD12 ILE 66 1HD1 ILE 66 -4.378 -1.734 -3.126 524 HD13 ILE 66 2HD1 ILE 66 -5.734 -2.787 -3.528 525 H ASN 67 H ASN 67 -5.589 2.129 -6.354 526 HA ASN 67 HA ASN 67 -5.711 1.120 -8.955 527 HB2 ASN 67 2HB ASN 67 -5.339 3.992 -8.082 528 HB3 ASN 67 1HB ASN 67 -5.884 3.464 -9.671 529 HD21 ASN 67 1HD2 ASN 67 -7.956 2.671 -9.922 530 HD22 ASN 67 2HD2 ASN 67 -9.174 2.856 -8.712 531 H ILE 68 H ILE 68 -3.080 2.755 -7.268 532 HA ILE 68 HA ILE 68 -1.429 3.024 -9.590 533 HB ILE 68 HB ILE 68 -0.660 3.152 -6.671 534 HG12 ILE 68 2HG1 ILE 68 -1.241 5.423 -8.583 535 HG13 ILE 68 1HG1 ILE 68 -2.406 4.800 -7.417 536 HG21 ILE 68 1HG2 ILE 68 1.278 2.760 -8.044 537 HG22 ILE 68 2HG2 ILE 68 1.286 4.439 -7.504 538 HG23 ILE 68 3HG2 ILE 68 0.799 4.046 -9.153 539 HD11 ILE 68 3HD1 ILE 68 -1.417 6.752 -6.499 540 HD12 ILE 68 1HD1 ILE 68 0.210 6.165 -6.845 541 HD13 ILE 68 2HD1 ILE 68 -0.771 5.368 -5.616 542 H PHE 69 H PHE 69 -1.301 0.883 -6.746 543 HA PHE 69 HA PHE 69 0.944 -0.589 -7.525 544 HB2 PHE 69 2HB PHE 69 0.062 -0.617 -5.245 545 HB3 PHE 69 1HB PHE 69 -1.384 -1.453 -5.801 546 HD1 PHE 69 2HD PHE 69 2.321 -1.813 -5.711 547 HD2 PHE 69 1HD PHE 69 -1.466 -3.755 -5.725 548 HE1 PHE 69 2HE PHE 69 3.433 -3.976 -5.341 549 HE2 PHE 69 1HE PHE 69 -0.360 -5.921 -5.355 550 HZ PHE 69 HZ PHE 69 2.092 -6.034 -5.164 551 H GLN 70 H GLN 70 -2.497 -1.189 -8.145 552 HA GLN 70 HA GLN 70 -2.168 -3.729 -9.304 553 HB2 GLN 70 2HB GLN 70 -4.428 -3.516 -10.086 554 HB3 GLN 70 1HB GLN 70 -4.328 -2.805 -8.485 555 HG2 GLN 70 2HG GLN 70 -4.240 -0.571 -9.502 556 HG3 GLN 70 1HG GLN 70 -4.400 -1.310 -11.095 557 HE21 GLN 70 1HE2 GLN 70 -6.359 -2.249 -11.686 558 HE22 GLN 70 2HE2 GLN 70 -7.831 -1.899 -10.849 559 H LYS 71 H LYS 71 -2.571 -0.564 -10.877 560 HA LYS 71 HA LYS 71 -2.270 -1.556 -13.506 561 HB2 LYS 71 2HB LYS 71 -2.002 1.227 -12.375 562 HB3 LYS 71 1HB LYS 71 -1.964 0.863 -14.092 563 HG2 LYS 71 2HG LYS 71 -4.223 -0.056 -13.947 564 HG3 LYS 71 1HG LYS 71 -4.261 0.328 -12.224 565 HD2 LYS 71 2HD LYS 71 -4.123 2.668 -12.667 566 HD3 LYS 71 1HD LYS 71 -3.798 2.382 -14.379 567 HE2 LYS 71 2HE LYS 71 -6.095 3.062 -14.090 568 HE3 LYS 71 1HE LYS 71 -6.032 1.378 -14.606 569 HZ1 LYS 71 3HZ LYS 71 -6.421 2.302 -11.810 570 HZ2 LYS 71 1HZ LYS 71 -6.395 0.692 -12.327 571 HZ3 LYS 71 2HZ LYS 71 -7.641 1.720 -12.827 572 H LEU 72 H LEU 72 0.083 -1.250 -11.114 573 HA LEU 72 HA LEU 72 2.168 -0.580 -13.082 574 HB2 LEU 72 2HB LEU 72 1.763 -0.114 -10.249 575 HB3 LEU 72 1HB LEU 72 3.359 -0.737 -10.604 576 HG LEU 72 HG LEU 72 3.300 1.711 -10.519 577 HD11 LEU 72 1HD1 LEU 72 4.970 0.611 -11.904 578 HD12 LEU 72 2HD1 LEU 72 4.458 2.135 -12.629 579 HD13 LEU 72 3HD1 LEU 72 3.852 0.607 -13.268 580 HD21 LEU 72 3HD2 LEU 72 1.016 2.055 -11.302 581 HD22 LEU 72 1HD2 LEU 72 1.476 1.492 -12.909 582 HD23 LEU 72 2HD2 LEU 72 2.164 2.983 -12.266 583 H ASN 73 H ASN 73 1.458 -3.052 -10.584 584 HA ASN 73 HA ASN 73 3.586 -4.651 -11.850 585 HB2 ASN 73 2HB ASN 73 2.918 -4.488 -8.919 586 HB3 ASN 73 1HB ASN 73 4.055 -5.635 -9.620 587 HD21 ASN 73 1HD2 ASN 73 5.064 -3.771 -11.584 588 HD22 ASN 73 2HD2 ASN 73 6.060 -2.648 -10.730 589 H TYR 74 H TYR 74 0.659 -5.005 -9.844 590 HA TYR 74 HA TYR 74 0.147 -7.525 -11.257 591 HB2 TYR 74 2HB TYR 74 0.280 -7.217 -8.266 592 HB3 TYR 74 1HB TYR 74 -0.484 -8.591 -9.060 593 HD1 TYR 74 1HD TYR 74 0.999 -9.879 -10.777 594 HD2 TYR 74 2HD TYR 74 2.545 -7.309 -7.759 595 HE1 TYR 74 1HE TYR 74 3.181 -10.999 -10.949 596 HE2 TYR 74 2HE TYR 74 4.731 -8.421 -7.925 597 HH TYR 74 HH TYR 74 5.575 -10.450 -10.467 598 H MET 75 H MET 75 -1.384 -5.725 -12.167 599 HA MET 75 HA MET 75 -3.580 -4.781 -10.796 600 HB2 MET 75 2HB MET 75 -4.715 -4.617 -12.933 601 HB3 MET 75 1HB MET 75 -3.023 -4.181 -13.129 602 HG2 MET 75 2HG MET 75 -2.560 -6.416 -14.020 603 HG3 MET 75 1HG MET 75 -4.264 -6.830 -13.844 604 HE1 MET 75 3HE MET 75 -2.584 -3.457 -15.040 605 HE2 MET 75 1HE MET 75 -2.608 -3.687 -16.788 606 HE3 MET 75 2HE MET 75 -1.604 -4.725 -15.777 607 H HIS 76 H HIS 76 -2.836 -8.021 -11.616 608 HA HIS 76 HA HIS 76 -5.538 -9.015 -11.478 609 HB2 HIS 76 2HB HIS 76 -3.862 -10.136 -12.874 610 HB3 HIS 76 1HB HIS 76 -2.888 -10.476 -11.449 611 HD1 HIS 76 1HD HIS 76 -5.879 -11.682 -13.324 612 HD2 HIS 76 2HD HIS 76 -3.865 -12.512 -9.786 613 HE1 HIS 76 1HE HIS 76 -6.758 -13.910 -12.513 614 H ILE 77 H ILE 77 -2.659 -9.171 -9.387 615 HA ILE 77 HA ILE 77 -3.916 -10.617 -7.300 616 HB ILE 77 HB ILE 77 -1.462 -8.859 -7.224 617 HG12 ILE 77 2HG1 ILE 77 -1.763 -11.863 -7.455 618 HG13 ILE 77 1HG1 ILE 77 -1.305 -10.778 -8.764 619 HG21 ILE 77 1HG2 ILE 77 -0.895 -10.015 -5.147 620 HG22 ILE 77 2HG2 ILE 77 -2.426 -10.888 -5.209 621 HG23 ILE 77 3HG2 ILE 77 -2.417 -9.138 -4.993 622 HD11 ILE 77 3HD1 ILE 77 0.707 -10.149 -7.446 623 HD12 ILE 77 1HD1 ILE 77 0.659 -11.843 -7.934 624 HD13 ILE 77 2HD1 ILE 77 0.265 -11.393 -6.276 625 H ALA 78 H ALA 78 -3.304 -7.152 -7.766 626 HA ALA 78 HA ALA 78 -4.135 -6.208 -5.297 627 HB1 ALA 78 1HB ALA 78 -4.485 -4.875 -7.978 628 HB2 ALA 78 2HB ALA 78 -3.040 -4.811 -6.968 629 HB3 ALA 78 3HB ALA 78 -4.542 -4.074 -6.409 630 H ASN 79 H ASN 79 -6.048 -7.308 -8.007 631 HA ASN 79 HA ASN 79 -8.510 -6.172 -7.470 632 HB2 ASN 79 2HB ASN 79 -8.005 -7.541 -9.466 633 HB3 ASN 79 1HB ASN 79 -7.996 -8.986 -8.459 634 HD21 ASN 79 1HD2 ASN 79 -9.668 -9.920 -9.614 635 HD22 ASN 79 2HD2 ASN 79 -11.301 -9.373 -9.482 636 H ALA 80 H ALA 80 -6.921 -8.851 -5.860 637 HA ALA 80 HA ALA 80 -9.215 -9.727 -4.409 638 HB1 ALA 80 1HB ALA 80 -6.296 -10.188 -3.809 639 HB2 ALA 80 2HB ALA 80 -7.302 -11.195 -4.850 640 HB3 ALA 80 3HB ALA 80 -7.656 -11.079 -3.126 641 H LEU 81 H LEU 81 -6.659 -7.397 -3.810 642 HA LEU 81 HA LEU 81 -7.214 -7.044 -1.037 643 HB2 LEU 81 2HB LEU 81 -5.632 -5.491 -3.059 644 HB3 LEU 81 1HB LEU 81 -5.885 -4.866 -1.441 645 HG LEU 81 HG LEU 81 -3.721 -5.956 -1.615 646 HD11 LEU 81 1HD1 LEU 81 -3.926 -7.518 0.261 647 HD12 LEU 81 2HD1 LEU 81 -5.677 -7.527 0.053 648 HD13 LEU 81 3HD1 LEU 81 -4.852 -6.041 0.527 649 HD21 LEU 81 3HD2 LEU 81 -4.290 -7.531 -3.415 650 HD22 LEU 81 1HD2 LEU 81 -5.248 -8.471 -2.270 651 HD23 LEU 81 2HD2 LEU 81 -3.503 -8.326 -2.052 652 H GLU 82 H GLU 82 -8.087 -5.196 -3.949 653 HA GLU 82 HA GLU 82 -9.345 -3.054 -2.709 654 HB2 GLU 82 2HB GLU 82 -10.547 -2.719 -4.815 655 HB3 GLU 82 1HB GLU 82 -8.851 -3.084 -5.094 656 HG2 GLU 82 2HG GLU 82 -9.412 -5.370 -5.664 657 HG3 GLU 82 1HG GLU 82 -11.114 -5.052 -5.331 658 H GLU 83 H GLU 83 -10.444 -6.322 -3.110 659 HA GLU 83 HA GLU 83 -13.217 -5.828 -2.737 660 HB2 GLU 83 2HB GLU 83 -12.324 -7.912 -3.729 661 HB3 GLU 83 1HB GLU 83 -11.645 -8.348 -2.166 662 HG2 GLU 83 2HG GLU 83 -13.847 -8.511 -1.204 663 HG3 GLU 83 1HG GLU 83 -14.579 -7.934 -2.701 664 H LYS 84 H LYS 84 -10.519 -6.348 -0.568 665 HA LYS 84 HA LYS 84 -11.970 -6.834 1.796 666 HB2 LYS 84 2HB LYS 84 -9.599 -7.314 1.664 667 HB3 LYS 84 1HB LYS 84 -9.234 -5.620 1.380 668 HG2 LYS 84 2HG LYS 84 -8.700 -6.171 3.650 669 HG3 LYS 84 1HG LYS 84 -10.094 -5.092 3.635 670 HD2 LYS 84 2HD LYS 84 -10.692 -6.709 5.194 671 HD3 LYS 84 1HD LYS 84 -11.493 -7.261 3.723 672 HE2 LYS 84 2HE LYS 84 -8.808 -8.254 4.673 673 HE3 LYS 84 1HE LYS 84 -10.338 -9.063 5.009 674 HZ1 LYS 84 3HZ LYS 84 -9.088 -8.620 2.355 675 HZ2 LYS 84 1HZ LYS 84 -10.665 -9.197 2.561 676 HZ3 LYS 84 2HZ LYS 84 -9.352 -10.099 3.131 677 H LYS 85 H LYS 85 -11.175 -3.903 0.084 678 HA LYS 85 HA LYS 85 -11.455 -1.975 2.040 679 HB2 LYS 85 2HB LYS 85 -10.788 -1.533 -0.310 680 HB3 LYS 85 1HB LYS 85 -12.456 -1.788 -0.809 681 HG2 LYS 85 2HG LYS 85 -13.159 0.120 0.543 682 HG3 LYS 85 1HG LYS 85 -11.489 0.373 1.055 683 HD2 LYS 85 2HD LYS 85 -11.955 1.913 -0.713 684 HD3 LYS 85 1HD LYS 85 -10.881 0.668 -1.352 685 HE2 LYS 85 2HE LYS 85 -12.789 -0.468 -2.365 686 HE3 LYS 85 1HE LYS 85 -13.877 0.750 -1.703 687 HZ1 LYS 85 3HZ LYS 85 -12.756 2.425 -3.033 688 HZ2 LYS 85 1HZ LYS 85 -13.359 1.189 -4.019 689 HZ3 LYS 85 2HZ LYS 85 -11.707 1.258 -3.666 690 H LYS 86 H LYS 86 -13.940 -3.792 0.353 691 HA LYS 86 HA LYS 86 -16.197 -2.317 0.991 692 HB2 LYS 86 2HB LYS 86 -15.900 -5.320 0.806 693 HB3 LYS 86 1HB LYS 86 -17.435 -4.463 0.810 694 HG2 LYS 86 2HG LYS 86 -16.791 -3.316 -1.259 695 HG3 LYS 86 1HG LYS 86 -15.270 -4.212 -1.267 696 HD2 LYS 86 2HD LYS 86 -16.500 -6.315 -1.422 697 HD3 LYS 86 1HD LYS 86 -18.028 -5.431 -1.386 698 HE2 LYS 86 2HE LYS 86 -17.441 -6.055 -3.664 699 HE3 LYS 86 1HE LYS 86 -17.425 -4.304 -3.470 700 HZ1 LYS 86 3HZ LYS 86 -15.036 -6.069 -3.458 701 HZ2 LYS 86 1HZ LYS 86 -15.017 -4.389 -3.265 702 HZ3 LYS 86 2HZ LYS 86 -15.517 -5.067 -4.732 703 H GLU 87 H GLU 87 -14.810 -5.038 2.836 704 HA GLU 87 HA GLU 87 -16.576 -4.785 5.027 705 HB2 GLU 87 2HB GLU 87 -15.313 -6.846 4.543 706 HB3 GLU 87 1HB GLU 87 -13.815 -6.017 4.947 707 HG2 GLU 87 2HG GLU 87 -14.681 -5.667 7.239 708 HG3 GLU 87 1HG GLU 87 -16.099 -6.622 6.808 709 H ALA 88 H ALA 88 -13.586 -3.223 4.190 710 HA ALA 88 HA ALA 88 -12.873 -2.258 6.744 711 HB1 ALA 88 1HB ALA 88 -11.418 -0.716 5.562 712 HB2 ALA 88 2HB ALA 88 -12.256 -1.056 4.049 713 HB3 ALA 88 3HB ALA 88 -11.323 -2.324 4.844 714 H GLU 89 H GLU 89 -15.160 -1.161 4.361 715 HA GLU 89 HA GLU 89 -15.483 1.499 5.024 716 HB2 GLU 89 2HB GLU 89 -17.582 -0.515 4.208 717 HB3 GLU 89 1HB GLU 89 -17.837 1.225 4.239 718 HG2 GLU 89 2HG GLU 89 -15.826 -0.234 2.540 719 HG3 GLU 89 1HG GLU 89 -17.364 0.430 1.991 720 H ARG 90 H ARG 90 -17.240 -1.272 6.434 721 HA ARG 90 HA ARG 90 -18.581 0.325 8.369 722 HB2 ARG 90 2HB ARG 90 -19.260 -1.820 9.368 723 HB3 ARG 90 1HB ARG 90 -19.533 -1.784 7.632 724 HG2 ARG 90 2HG ARG 90 -17.503 -3.092 7.280 725 HG3 ARG 90 1HG ARG 90 -17.218 -3.121 9.022 726 HD2 ARG 90 2HD ARG 90 -19.331 -4.308 9.348 727 HD3 ARG 90 1HD ARG 90 -19.626 -4.269 7.610 728 HE ARG 90 HE ARG 90 -17.132 -5.491 8.185 729 HH11 ARG 90 1HH1 ARG 90 -20.569 -6.065 8.271 730 HH12 ARG 90 2HH1 ARG 90 -20.417 -7.782 8.102 731 HH21 ARG 90 1HH2 ARG 90 -16.922 -7.750 7.964 732 HH22 ARG 90 2HH2 ARG 90 -18.343 -8.740 7.930 733 H LYS 91 H LYS 91 -15.438 -1.034 8.220 734 HA LYS 91 HA LYS 91 -14.989 -1.268 11.032 735 HB2 LYS 91 2HB LYS 91 -13.081 -1.099 8.698 736 HB3 LYS 91 1HB LYS 91 -12.569 -1.365 10.359 737 HG2 LYS 91 2HG LYS 91 -13.879 -3.432 10.428 738 HG3 LYS 91 1HG LYS 91 -14.372 -3.164 8.755 739 HD2 LYS 91 2HD LYS 91 -12.549 -4.738 8.791 740 HD3 LYS 91 1HD LYS 91 -11.982 -3.221 8.091 741 HE2 LYS 91 2HE LYS 91 -10.326 -4.101 9.628 742 HE3 LYS 91 1HE LYS 91 -11.006 -2.603 10.262 743 HZ1 LYS 91 3HZ LYS 91 -10.812 -4.287 11.981 744 HZ2 LYS 91 1HZ LYS 91 -11.793 -5.344 11.094 745 HZ3 LYS 91 2HZ LYS 91 -12.438 -3.906 11.706 746 H LEU 92 H LEU 92 -15.171 1.362 8.900 747 HA LEU 92 HA LEU 92 -13.494 3.076 10.573 748 HB2 LEU 92 2HB LEU 92 -14.965 3.749 8.024 749 HB3 LEU 92 1HB LEU 92 -13.785 4.756 8.839 750 HG LEU 92 HG LEU 92 -13.212 2.093 7.538 751 HD11 LEU 92 1HD1 LEU 92 -11.997 3.406 5.885 752 HD12 LEU 92 2HD1 LEU 92 -12.497 4.895 6.687 753 HD13 LEU 92 3HD1 LEU 92 -13.702 3.857 5.922 754 HD21 LEU 92 3HD2 LEU 92 -10.858 2.668 7.940 755 HD22 LEU 92 1HD2 LEU 92 -11.758 2.482 9.445 756 HD23 LEU 92 2HD2 LEU 92 -11.370 4.093 8.843 757 H MET 93 H MET 93 -16.622 2.033 10.516 758 HA MET 93 HA MET 93 -17.785 4.571 11.390 759 HB2 MET 93 2HB MET 93 -19.107 1.889 10.929 760 HB3 MET 93 1HB MET 93 -19.935 3.397 11.291 761 HG2 MET 93 2HG MET 93 -19.062 4.345 9.192 762 HG3 MET 93 1HG MET 93 -18.321 2.789 8.826 763 HE1 MET 93 3HE MET 93 -22.869 3.538 9.055 764 HE2 MET 93 1HE MET 93 -21.641 4.780 9.293 765 HE3 MET 93 2HE MET 93 -21.849 3.505 10.494 766 H THR 94 H THR 94 -15.923 2.501 12.853 767 HA THR 94 HA THR 94 -17.418 2.622 15.384 768 HB THR 94 HB THR 94 -16.340 0.455 16.035 769 HG1 THR 94 1HG THR 94 -15.972 -0.390 13.469 770 HG21 THR 94 3HG2 THR 94 -17.883 -0.963 14.745 771 HG22 THR 94 1HG2 THR 94 -18.168 0.373 13.630 772 HG23 THR 94 2HG2 THR 94 -18.670 0.509 15.316 773 H ASN 95 H ASN 95 -16.032 2.512 17.309 774 HA ASN 95 HA ASN 95 -13.596 4.056 16.881 775 HB2 ASN 95 2HB ASN 95 -15.085 3.371 19.426 776 HB3 ASN 95 1HB ASN 95 -13.669 4.413 19.332 777 HD21 ASN 95 1HD2 ASN 95 -14.813 6.151 20.182 778 HD22 ASN 95 2HD2 ASN 95 -15.974 7.026 19.251 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -7.673 -2.686 13.514 2 H2 MET 1 2HT MET 1 -9.235 -2.490 12.896 3 H3 MET 1 3HT MET 1 -8.969 -2.404 14.565 4 HA MET 1 HA MET 1 -9.291 -0.210 13.644 5 HB2 MET 1 2HB MET 1 -6.466 -0.800 14.542 6 HB3 MET 1 1HB MET 1 -7.171 0.808 14.466 7 HG2 MET 1 2HG MET 1 -8.832 0.185 16.117 8 HG3 MET 1 1HG MET 1 -8.189 -1.456 16.167 9 HE1 MET 1 2HE MET 1 -8.621 0.504 18.730 10 HE2 MET 1 3HE MET 1 -7.167 0.103 19.644 11 HE3 MET 1 1HE MET 1 -8.080 -1.172 18.837 12 H GLU 2 H GLU 2 -7.831 1.595 12.608 13 HA GLU 2 HA GLU 2 -7.663 0.988 9.850 14 HB2 GLU 2 2HB GLU 2 -6.804 3.277 9.604 15 HB3 GLU 2 1HB GLU 2 -8.226 3.225 10.638 16 HG2 GLU 2 2HG GLU 2 -6.757 3.321 12.614 17 HG3 GLU 2 1HG GLU 2 -5.364 3.458 11.542 18 H SER 3 H SER 3 -5.321 1.029 12.431 19 HA SER 3 HA SER 3 -2.972 1.166 10.892 20 HB2 SER 3 2HB SER 3 -3.422 -0.179 13.567 21 HB3 SER 3 1HB SER 3 -1.849 0.214 12.873 22 HG SER 3 HG SER 3 -3.837 1.936 13.870 23 H GLU 4 H GLU 4 -5.042 -1.523 11.803 24 HA GLU 4 HA GLU 4 -3.266 -3.542 10.821 25 HB2 GLU 4 2HB GLU 4 -4.924 -4.011 12.576 26 HB3 GLU 4 1HB GLU 4 -6.223 -3.685 11.438 27 HG2 GLU 4 2HG GLU 4 -5.519 -5.579 10.078 28 HG3 GLU 4 1HG GLU 4 -4.199 -5.899 11.200 29 H TYR 5 H TYR 5 -5.850 -1.621 9.480 30 HA TYR 5 HA TYR 5 -6.256 -3.226 7.156 31 HB2 TYR 5 2HB TYR 5 -7.998 -1.716 7.986 32 HB3 TYR 5 1HB TYR 5 -6.961 -0.329 7.664 33 HD1 TYR 5 2HD TYR 5 -8.474 -3.256 5.907 34 HD2 TYR 5 1HD TYR 5 -7.210 0.796 5.654 35 HE1 TYR 5 2HE TYR 5 -9.380 -3.123 3.624 36 HE2 TYR 5 1HE TYR 5 -8.110 0.942 3.369 37 HH TYR 5 HH TYR 5 -8.661 -0.582 1.505 38 H ARG 6 H ARG 6 -4.197 -0.482 7.936 39 HA ARG 6 HA ARG 6 -3.371 -0.110 5.198 40 HB2 ARG 6 2HB ARG 6 -1.789 1.539 6.134 41 HB3 ARG 6 1HB ARG 6 -3.443 1.821 6.656 42 HG2 ARG 6 2HG ARG 6 -2.976 0.885 8.819 43 HG3 ARG 6 1HG ARG 6 -1.356 0.413 8.305 44 HD2 ARG 6 2HD ARG 6 -0.767 2.758 7.983 45 HD3 ARG 6 1HD ARG 6 -2.391 3.240 8.474 46 HE ARG 6 HE ARG 6 -1.806 2.171 10.675 47 HH11 ARG 6 1HH1 ARG 6 0.641 3.466 8.561 48 HH12 ARG 6 2HH1 ARG 6 1.755 3.799 9.844 49 HH21 ARG 6 1HH2 ARG 6 -0.348 2.609 12.370 50 HH22 ARG 6 2HH2 ARG 6 1.193 3.313 12.009 51 H GLU 7 H GLU 7 -1.941 -1.470 8.138 52 HA GLU 7 HA GLU 7 0.596 -2.027 7.065 53 HB2 GLU 7 2HB GLU 7 0.114 -2.001 9.473 54 HB3 GLU 7 1HB GLU 7 -0.884 -3.437 9.290 55 HG2 GLU 7 2HG GLU 7 1.064 -4.721 8.606 56 HG3 GLU 7 1HG GLU 7 2.072 -3.281 8.741 57 H MET 8 H MET 8 -2.232 -4.152 7.473 58 HA MET 8 HA MET 8 -1.045 -6.425 6.299 59 HB2 MET 8 2HB MET 8 -2.952 -6.669 7.739 60 HB3 MET 8 1HB MET 8 -3.938 -5.657 6.692 61 HG2 MET 8 2HG MET 8 -3.865 -7.334 4.950 62 HG3 MET 8 1HG MET 8 -2.797 -8.336 5.932 63 HE1 MET 8 3HE MET 8 -5.524 -9.375 4.604 64 HE2 MET 8 1HE MET 8 -6.168 -10.343 5.930 65 HE3 MET 8 2HE MET 8 -4.445 -10.391 5.559 66 H LEU 9 H LEU 9 -3.300 -4.023 4.935 67 HA LEU 9 HA LEU 9 -3.603 -5.161 2.418 68 HB2 LEU 9 2HB LEU 9 -4.971 -3.315 3.268 69 HB3 LEU 9 1HB LEU 9 -3.596 -2.234 3.142 70 HG LEU 9 HG LEU 9 -4.468 -3.633 0.665 71 HD11 LEU 9 1HD1 LEU 9 -5.952 -1.303 1.874 72 HD12 LEU 9 2HD1 LEU 9 -6.587 -2.929 1.620 73 HD13 LEU 9 3HD1 LEU 9 -6.167 -1.921 0.236 74 HD21 LEU 9 3HD2 LEU 9 -2.548 -2.209 0.533 75 HD22 LEU 9 1HD2 LEU 9 -3.405 -0.893 1.335 76 HD23 LEU 9 2HD2 LEU 9 -3.885 -1.399 -0.284 77 H LEU 10 H LEU 10 -1.130 -2.875 3.534 78 HA LEU 10 HA LEU 10 0.074 -2.534 0.990 79 HB2 LEU 10 2HB LEU 10 1.139 -2.085 3.771 80 HB3 LEU 10 1HB LEU 10 1.998 -1.631 2.311 81 HG LEU 10 HG LEU 10 -0.733 -0.571 3.024 82 HD11 LEU 10 1HD1 LEU 10 1.936 0.767 3.415 83 HD12 LEU 10 2HD1 LEU 10 0.977 0.044 4.706 84 HD13 LEU 10 3HD1 LEU 10 0.347 1.423 3.808 85 HD21 LEU 10 3HD2 LEU 10 -0.199 1.133 1.354 86 HD22 LEU 10 1HD2 LEU 10 -0.176 -0.484 0.649 87 HD23 LEU 10 2HD2 LEU 10 1.339 0.336 1.028 88 H LEU 11 H LEU 11 1.301 -4.288 3.846 89 HA LEU 11 HA LEU 11 3.507 -5.432 2.658 90 HB2 LEU 11 2HB LEU 11 3.610 -6.920 4.483 91 HB3 LEU 11 1HB LEU 11 2.930 -5.427 5.088 92 HG LEU 11 HG LEU 11 0.636 -6.640 4.694 93 HD11 LEU 11 1HD1 LEU 11 1.377 -8.620 3.610 94 HD12 LEU 11 2HD1 LEU 11 0.882 -9.082 5.237 95 HD13 LEU 11 3HD1 LEU 11 2.594 -8.921 4.850 96 HD21 LEU 11 3HD2 LEU 11 0.698 -7.432 6.985 97 HD22 LEU 11 1HD2 LEU 11 1.533 -5.884 6.850 98 HD23 LEU 11 2HD2 LEU 11 2.461 -7.378 6.976 99 H THR 12 H THR 12 0.187 -6.296 2.217 100 HA THR 12 HA THR 12 0.377 -8.962 1.460 101 HB THR 12 HB THR 12 -1.445 -6.827 0.328 102 HG1 THR 12 1HG THR 12 -2.788 -7.390 1.949 103 HG21 THR 12 3HG2 THR 12 -1.662 -9.838 0.165 104 HG22 THR 12 1HG2 THR 12 -1.334 -8.746 -1.180 105 HG23 THR 12 2HG2 THR 12 -2.894 -8.690 -0.359 106 H GLY 13 H GLY 13 1.230 -6.062 -0.318 107 HA2 GLY 13 2HA GLY 13 1.866 -7.710 -2.675 108 HA3 GLY 13 1HA GLY 13 1.624 -5.972 -2.695 109 H LEU 14 H LEU 14 3.302 -5.440 -0.379 110 HA LEU 14 HA LEU 14 5.739 -4.990 -1.624 111 HB2 LEU 14 2HB LEU 14 4.879 -5.060 1.235 112 HB3 LEU 14 1HB LEU 14 6.588 -4.951 0.873 113 HG LEU 14 HG LEU 14 5.768 -2.743 1.271 114 HD11 LEU 14 1HD1 LEU 14 6.104 -3.139 -1.698 115 HD12 LEU 14 2HD1 LEU 14 7.409 -2.965 -0.523 116 HD13 LEU 14 3HD1 LEU 14 6.301 -1.624 -0.818 117 HD21 LEU 14 3HD2 LEU 14 3.974 -1.759 -0.120 118 HD22 LEU 14 1HD2 LEU 14 3.416 -3.068 0.922 119 HD23 LEU 14 2HD2 LEU 14 3.667 -3.358 -0.800 120 H ASP 15 H ASP 15 4.953 -7.566 0.713 121 HA ASP 15 HA ASP 15 7.501 -8.849 0.289 122 HB2 ASP 15 2HB ASP 15 6.299 -8.826 2.494 123 HB3 ASP 15 1HB ASP 15 5.106 -9.915 1.794 124 H HIS 16 H HIS 16 5.121 -8.623 -1.773 125 HA HIS 16 HA HIS 16 5.389 -11.407 -2.689 126 HB2 HIS 16 2HB HIS 16 2.905 -9.702 -2.622 127 HB3 HIS 16 1HB HIS 16 3.048 -11.112 -3.666 128 HD1 HIS 16 1HD HIS 16 2.893 -10.181 -0.005 129 HD2 HIS 16 2HD HIS 16 2.728 -13.540 -2.444 130 HE1 HIS 16 1HE HIS 16 2.174 -12.100 1.478 131 H ILE 17 H ILE 17 6.910 -9.017 -3.419 132 HA ILE 17 HA ILE 17 6.432 -9.144 -6.305 133 HB ILE 17 HB ILE 17 6.931 -6.711 -6.520 134 HG12 ILE 17 2HG1 ILE 17 6.418 -6.678 -3.537 135 HG13 ILE 17 1HG1 ILE 17 7.984 -6.422 -4.297 136 HG21 ILE 17 1HG2 ILE 17 4.452 -7.477 -4.988 137 HG22 ILE 17 2HG2 ILE 17 4.665 -7.494 -6.738 138 HG23 ILE 17 3HG2 ILE 17 4.666 -5.962 -5.865 139 HD11 ILE 17 3HD1 ILE 17 6.966 -4.324 -3.626 140 HD12 ILE 17 1HD1 ILE 17 5.560 -4.671 -4.632 141 HD13 ILE 17 2HD1 ILE 17 7.136 -4.412 -5.378 142 H THR 18 H THR 18 8.287 -8.628 -7.595 143 HA THR 18 HA THR 18 10.693 -9.672 -6.557 144 HB THR 18 HB THR 18 11.715 -8.988 -8.695 145 HG1 THR 18 1HG THR 18 9.470 -8.122 -9.924 146 HG21 THR 18 3HG2 THR 18 10.266 -10.312 -10.173 147 HG22 THR 18 1HG2 THR 18 8.970 -10.215 -8.981 148 HG23 THR 18 2HG2 THR 18 10.459 -11.077 -8.595 149 H GLU 19 H GLU 19 12.824 -8.487 -6.793 150 HA GLU 19 HA GLU 19 12.833 -6.269 -5.028 151 HB2 GLU 19 2HB GLU 19 15.074 -7.300 -6.775 152 HB3 GLU 19 1HB GLU 19 15.248 -6.241 -5.383 153 HG2 GLU 19 2HG GLU 19 14.237 -9.075 -5.328 154 HG3 GLU 19 1HG GLU 19 15.844 -8.534 -4.841 155 H GLU 20 H GLU 20 13.282 -6.581 -8.523 156 HA GLU 20 HA GLU 20 14.038 -3.925 -9.034 157 HB2 GLU 20 2HB GLU 20 13.303 -4.391 -11.367 158 HB3 GLU 20 1HB GLU 20 14.380 -5.614 -10.708 159 HG2 GLU 20 2HG GLU 20 12.436 -7.042 -10.237 160 HG3 GLU 20 1HG GLU 20 11.389 -5.825 -10.965 161 H GLU 21 H GLU 21 10.849 -5.465 -8.941 162 HA GLU 21 HA GLU 21 9.451 -3.082 -9.698 163 HB2 GLU 21 2HB GLU 21 8.463 -5.650 -8.446 164 HB3 GLU 21 1HB GLU 21 7.422 -4.367 -9.048 165 HG2 GLU 21 2HG GLU 21 9.373 -5.955 -10.702 166 HG3 GLU 21 1HG GLU 21 7.632 -6.222 -10.628 167 H LEU 22 H LEU 22 10.517 -4.505 -6.719 168 HA LEU 22 HA LEU 22 8.833 -3.283 -4.874 169 HB2 LEU 22 2HB LEU 22 10.457 -5.046 -4.327 170 HB3 LEU 22 1HB LEU 22 11.772 -3.918 -4.593 171 HG LEU 22 HG LEU 22 10.929 -2.546 -2.701 172 HD11 LEU 22 1HD1 LEU 22 8.594 -3.223 -2.763 173 HD12 LEU 22 2HD1 LEU 22 9.292 -3.529 -1.173 174 HD13 LEU 22 3HD1 LEU 22 9.043 -4.864 -2.300 175 HD21 LEU 22 3HD2 LEU 22 12.718 -4.172 -2.377 176 HD22 LEU 22 1HD2 LEU 22 11.525 -5.430 -2.047 177 HD23 LEU 22 2HD2 LEU 22 11.692 -4.062 -0.946 178 H LYS 23 H LYS 23 11.839 -2.074 -6.319 179 HA LYS 23 HA LYS 23 11.751 0.394 -4.851 180 HB2 LYS 23 2HB LYS 23 13.419 -0.467 -7.218 181 HB3 LYS 23 1HB LYS 23 13.630 1.049 -6.354 182 HG2 LYS 23 2HG LYS 23 14.170 -0.172 -4.316 183 HG3 LYS 23 1HG LYS 23 13.928 -1.702 -5.164 184 HD2 LYS 23 2HD LYS 23 15.946 0.374 -6.002 185 HD3 LYS 23 1HD LYS 23 16.323 -0.981 -4.936 186 HE2 LYS 23 2HE LYS 23 15.661 -2.549 -6.682 187 HE3 LYS 23 1HE LYS 23 15.242 -1.206 -7.745 188 HZ1 LYS 23 3HZ LYS 23 17.959 -1.773 -6.683 189 HZ2 LYS 23 1HZ LYS 23 17.549 -0.509 -7.732 190 HZ3 LYS 23 2HZ LYS 23 17.429 -2.115 -8.254 191 H ARG 24 H ARG 24 10.641 -0.732 -7.958 192 HA ARG 24 HA ARG 24 10.302 1.734 -9.249 193 HB2 ARG 24 2HB ARG 24 10.181 -0.443 -10.394 194 HB3 ARG 24 1HB ARG 24 8.675 -0.795 -9.558 195 HG2 ARG 24 2HG ARG 24 7.615 1.108 -10.674 196 HG3 ARG 24 1HG ARG 24 9.126 1.441 -11.523 197 HD2 ARG 24 2HD ARG 24 9.017 -0.768 -12.573 198 HD3 ARG 24 1HD ARG 24 7.507 -1.096 -11.726 199 HE ARG 24 HE ARG 24 7.352 1.289 -13.273 200 HH11 ARG 24 1HH1 ARG 24 7.237 -2.188 -13.485 201 HH12 ARG 24 2HH1 ARG 24 6.262 -2.196 -14.917 202 HH21 ARG 24 1HH2 ARG 24 6.068 1.287 -15.154 203 HH22 ARG 24 2HH2 ARG 24 5.601 -0.220 -15.868 204 H PHE 25 H PHE 25 8.125 -0.113 -7.158 205 HA PHE 25 HA PHE 25 5.831 1.432 -7.435 206 HB2 PHE 25 2HB PHE 25 5.775 -0.703 -6.307 207 HB3 PHE 25 1HB PHE 25 6.843 -0.110 -5.039 208 HD1 PHE 25 2HD PHE 25 3.457 0.168 -6.473 209 HD2 PHE 25 1HD PHE 25 6.002 1.103 -3.194 210 HE1 PHE 25 2HE PHE 25 1.498 0.862 -5.156 211 HE2 PHE 25 1HE PHE 25 4.048 1.797 -1.869 212 HZ PHE 25 HZ PHE 25 1.793 1.679 -2.851 213 H LYS 26 H LYS 26 8.349 1.713 -4.918 214 HA LYS 26 HA LYS 26 7.277 3.945 -3.626 215 HB2 LYS 26 2HB LYS 26 10.061 2.838 -3.825 216 HB3 LYS 26 1HB LYS 26 9.747 4.329 -2.949 217 HG2 LYS 26 2HG LYS 26 8.160 3.138 -1.509 218 HG3 LYS 26 1HG LYS 26 8.517 1.641 -2.374 219 HD2 LYS 26 2HD LYS 26 10.790 1.673 -1.630 220 HD3 LYS 26 1HD LYS 26 10.599 3.291 -0.951 221 HE2 LYS 26 2HE LYS 26 9.120 0.836 -0.014 222 HE3 LYS 26 1HE LYS 26 10.556 1.504 0.761 223 HZ1 LYS 26 3HZ LYS 26 9.340 3.540 1.192 224 HZ2 LYS 26 1HZ LYS 26 8.522 2.218 1.861 225 HZ3 LYS 26 2HZ LYS 26 7.966 2.920 0.426 226 H TYR 27 H TYR 27 9.201 3.720 -6.530 227 HA TYR 27 HA TYR 27 9.958 6.469 -6.604 228 HB2 TYR 27 2HB TYR 27 11.217 4.710 -7.786 229 HB3 TYR 27 1HB TYR 27 9.841 4.451 -8.852 230 HD1 TYR 27 2HD TYR 27 11.943 7.313 -7.671 231 HD2 TYR 27 1HD TYR 27 9.966 5.428 -10.931 232 HE1 TYR 27 2HE TYR 27 12.796 9.053 -9.185 233 HE2 TYR 27 1HE TYR 27 10.812 7.162 -12.456 234 HH TYR 27 HH TYR 27 11.623 9.481 -12.339 235 H PHE 28 H PHE 28 7.242 4.626 -7.860 236 HA PHE 28 HA PHE 28 6.249 6.800 -9.458 237 HB2 PHE 28 2HB PHE 28 5.364 4.034 -8.828 238 HB3 PHE 28 1HB PHE 28 4.123 5.180 -9.324 239 HD1 PHE 28 2HD PHE 28 7.312 3.612 -10.356 240 HD2 PHE 28 1HD PHE 28 3.867 5.794 -11.575 241 HE1 PHE 28 2HE PHE 28 7.916 3.243 -12.713 242 HE2 PHE 28 1HE PHE 28 4.465 5.427 -13.933 243 HZ PHE 28 HZ PHE 28 6.493 4.151 -14.505 244 H ALA 29 H ALA 29 5.140 5.221 -6.449 245 HA ALA 29 HA ALA 29 2.997 6.986 -5.989 246 HB1 ALA 29 1HB ALA 29 3.011 6.114 -3.693 247 HB2 ALA 29 2HB ALA 29 4.566 5.341 -4.006 248 HB3 ALA 29 3HB ALA 29 3.131 4.825 -4.891 249 H LEU 30 H LEU 30 6.265 6.932 -4.549 250 HA LEU 30 HA LEU 30 5.814 9.648 -3.550 251 HB2 LEU 30 2HB LEU 30 8.129 7.782 -3.015 252 HB3 LEU 30 1HB LEU 30 7.844 9.324 -2.235 253 HG LEU 30 HG LEU 30 7.199 7.691 -0.668 254 HD11 LEU 30 1HD1 LEU 30 4.658 8.567 -2.026 255 HD12 LEU 30 2HD1 LEU 30 5.601 9.539 -0.898 256 HD13 LEU 30 3HD1 LEU 30 4.831 8.050 -0.349 257 HD21 LEU 30 3HD2 LEU 30 7.120 5.786 -2.201 258 HD22 LEU 30 1HD2 LEU 30 5.577 6.360 -2.828 259 HD23 LEU 30 2HD2 LEU 30 5.703 5.837 -1.151 260 H THR 31 H THR 31 6.024 10.861 -5.435 261 HA THR 31 HA THR 31 8.460 10.590 -7.011 262 HB THR 31 HB THR 31 7.461 12.266 -8.502 263 HG1 THR 31 1HG THR 31 5.752 12.571 -6.339 264 HG21 THR 31 3HG2 THR 31 5.536 10.945 -9.258 265 HG22 THR 31 1HG2 THR 31 5.540 10.067 -7.728 266 HG23 THR 31 2HG2 THR 31 6.901 9.910 -8.839 267 H GLU 32 H GLU 32 6.773 13.130 -5.178 268 HA GLU 32 HA GLU 32 9.205 14.751 -5.208 269 HB2 GLU 32 2HB GLU 32 6.386 15.373 -4.321 270 HB3 GLU 32 1HB GLU 32 7.729 16.500 -4.186 271 HG2 GLU 32 2HG GLU 32 6.643 15.336 -6.740 272 HG3 GLU 32 1HG GLU 32 6.376 16.972 -6.144 273 H PHE 33 H PHE 33 7.546 12.572 -3.202 274 HA PHE 33 HA PHE 33 8.382 13.697 -0.690 275 HB2 PHE 33 2HB PHE 33 7.338 10.920 -1.279 276 HB3 PHE 33 1HB PHE 33 7.442 11.686 0.303 277 HD1 PHE 33 2HD PHE 33 6.098 13.843 0.646 278 HD2 PHE 33 1HD PHE 33 5.415 11.120 -2.553 279 HE1 PHE 33 2HE PHE 33 3.839 14.769 0.346 280 HE2 PHE 33 1HE PHE 33 3.156 12.044 -2.862 281 HZ PHE 33 HZ PHE 33 2.365 13.870 -1.410 282 H GLN 34 H GLN 34 9.727 11.548 -3.031 283 HA GLN 34 HA GLN 34 11.595 10.227 -3.065 284 HB2 GLN 34 2HB GLN 34 12.581 12.547 -1.399 285 HB3 GLN 34 1HB GLN 34 13.618 11.365 -2.186 286 HG2 GLN 34 2HG GLN 34 11.703 13.200 -3.606 287 HG3 GLN 34 1HG GLN 34 13.436 13.473 -3.433 288 HE21 GLN 34 1HE2 GLN 34 14.877 12.190 -4.583 289 HE22 GLN 34 2HE2 GLN 34 14.379 11.226 -5.927 290 H ILE 35 H ILE 35 10.202 8.795 -1.551 291 HA ILE 35 HA ILE 35 10.862 8.637 1.193 292 HB ILE 35 HB ILE 35 8.814 7.654 0.157 293 HG12 ILE 35 2HG1 ILE 35 10.375 5.536 1.627 294 HG13 ILE 35 1HG1 ILE 35 9.805 6.999 2.425 295 HG21 ILE 35 1HG2 ILE 35 9.868 6.653 -1.807 296 HG22 ILE 35 2HG2 ILE 35 8.935 5.466 -0.897 297 HG23 ILE 35 3HG2 ILE 35 10.694 5.488 -0.771 298 HD11 ILE 35 3HD1 ILE 35 7.497 6.407 1.795 299 HD12 ILE 35 1HD1 ILE 35 8.265 5.192 2.817 300 HD13 ILE 35 2HD1 ILE 35 8.102 4.911 1.084 301 H ALA 36 H ALA 36 12.430 7.557 2.269 302 HA ALA 36 HA ALA 36 14.826 6.911 0.962 303 HB1 ALA 36 1HB ALA 36 13.919 6.133 3.730 304 HB2 ALA 36 2HB ALA 36 14.756 7.621 3.287 305 HB3 ALA 36 3HB ALA 36 15.578 6.067 3.134 306 H ARG 37 H ARG 37 15.425 5.179 -0.127 307 HA ARG 37 HA ARG 37 13.779 2.905 -0.446 308 HB2 ARG 37 2HB ARG 37 15.283 3.663 -2.204 309 HB3 ARG 37 1HB ARG 37 16.677 3.358 -1.178 310 HG2 ARG 37 2HG ARG 37 16.098 0.955 -1.174 311 HG3 ARG 37 1HG ARG 37 14.786 1.303 -2.303 312 HD2 ARG 37 2HD ARG 37 17.717 1.828 -2.784 313 HD3 ARG 37 1HD ARG 37 16.790 0.488 -3.455 314 HE ARG 37 HE ARG 37 15.479 2.817 -4.192 315 HH11 ARG 37 1HH1 ARG 37 18.585 1.330 -4.716 316 HH12 ARG 37 2HH1 ARG 37 18.812 2.047 -6.276 317 HH21 ARG 37 1HH2 ARG 37 15.768 3.767 -6.247 318 HH22 ARG 37 2HH2 ARG 37 17.211 3.435 -7.145 319 H SER 38 H SER 38 16.299 3.695 1.786 320 HA SER 38 HA SER 38 17.126 1.100 2.502 321 HB2 SER 38 2HB SER 38 17.994 2.161 4.555 322 HB3 SER 38 1HB SER 38 18.403 3.100 3.119 323 HG SER 38 HG SER 38 16.013 3.784 4.309 324 H THR 39 H THR 39 14.347 2.998 3.388 325 HA THR 39 HA THR 39 13.592 1.719 5.757 326 HB THR 39 HB THR 39 11.338 2.536 5.346 327 HG1 THR 39 1HG THR 39 10.985 3.641 3.274 328 HG21 THR 39 3HG2 THR 39 13.013 4.155 6.098 329 HG22 THR 39 1HG2 THR 39 11.824 4.918 5.043 330 HG23 THR 39 2HG2 THR 39 13.426 4.517 4.422 331 H LEU 40 H LEU 40 13.607 0.543 2.551 332 HA LEU 40 HA LEU 40 11.464 -1.157 2.375 333 HB2 LEU 40 2HB LEU 40 14.284 -1.457 1.391 334 HB3 LEU 40 1HB LEU 40 13.048 -2.646 1.027 335 HG LEU 40 HG LEU 40 12.800 0.275 0.317 336 HD11 LEU 40 1HD1 LEU 40 14.706 -0.664 -0.855 337 HD12 LEU 40 2HD1 LEU 40 13.365 -0.397 -1.968 338 HD13 LEU 40 3HD1 LEU 40 13.723 -2.027 -1.394 339 HD21 LEU 40 3HD2 LEU 40 11.059 -0.558 -1.213 340 HD22 LEU 40 1HD2 LEU 40 10.679 -0.878 0.480 341 HD23 LEU 40 2HD2 LEU 40 11.277 -2.178 -0.550 342 H ASP 41 H ASP 41 14.070 -1.412 4.600 343 HA ASP 41 HA ASP 41 14.255 -4.143 5.037 344 HB2 ASP 41 2HB ASP 41 15.728 -2.521 6.129 345 HB3 ASP 41 1HB ASP 41 14.378 -1.921 7.087 346 H VAL 42 H VAL 42 11.910 -1.834 6.320 347 HA VAL 42 HA VAL 42 10.091 -4.047 6.919 348 HB VAL 42 HB VAL 42 9.442 -2.913 9.073 349 HG11 VAL 42 1HG1 VAL 42 10.756 -4.952 9.074 350 HG12 VAL 42 2HG1 VAL 42 11.293 -3.879 10.365 351 HG13 VAL 42 3HG1 VAL 42 12.240 -4.019 8.884 352 HG21 VAL 42 3HG2 VAL 42 11.092 -1.439 10.126 353 HG22 VAL 42 1HG2 VAL 42 10.444 -0.736 8.644 354 HG23 VAL 42 2HG2 VAL 42 12.052 -1.463 8.647 355 H ALA 43 H ALA 43 10.510 -1.610 5.090 356 HA ALA 43 HA ALA 43 8.732 0.415 5.447 357 HB1 ALA 43 1HB ALA 43 8.647 0.640 3.030 358 HB2 ALA 43 2HB ALA 43 9.308 -0.984 2.850 359 HB3 ALA 43 3HB ALA 43 10.285 0.289 3.579 360 H ASP 44 H ASP 44 7.941 -2.841 4.334 361 HA ASP 44 HA ASP 44 5.384 -2.302 3.378 362 HB2 ASP 44 2HB ASP 44 4.921 -4.708 3.844 363 HB3 ASP 44 1HB ASP 44 6.416 -4.426 2.957 364 H ARG 45 H ARG 45 6.238 -3.480 6.668 365 HA ARG 45 HA ARG 45 3.525 -3.038 7.508 366 HB2 ARG 45 2HB ARG 45 4.430 -3.748 9.770 367 HB3 ARG 45 1HB ARG 45 4.482 -4.925 8.467 368 HG2 ARG 45 2HG ARG 45 6.871 -4.346 8.112 369 HG3 ARG 45 1HG ARG 45 6.782 -3.300 9.530 370 HD2 ARG 45 2HD ARG 45 6.209 -6.258 9.514 371 HD3 ARG 45 1HD ARG 45 7.719 -5.518 10.045 372 HE ARG 45 HE ARG 45 5.443 -4.471 11.421 373 HH11 ARG 45 1HH1 ARG 45 7.698 -7.126 11.314 374 HH12 ARG 45 2HH1 ARG 45 7.515 -7.516 12.992 375 HH21 ARG 45 1HH2 ARG 45 5.196 -4.981 13.631 376 HH22 ARG 45 2HH2 ARG 45 6.093 -6.299 14.308 377 H THR 46 H THR 46 6.603 -1.703 8.776 378 HA THR 46 HA THR 46 5.137 0.236 10.325 379 HB THR 46 HB THR 46 7.287 0.872 11.264 380 HG1 THR 46 1HG THR 46 8.787 -1.087 10.153 381 HG21 THR 46 3HG2 THR 46 6.068 -1.063 12.173 382 HG22 THR 46 1HG2 THR 46 7.815 -1.258 12.326 383 HG23 THR 46 2HG2 THR 46 6.939 -2.122 11.063 384 H GLU 47 H GLU 47 7.776 0.639 7.929 385 HA GLU 47 HA GLU 47 7.661 3.466 8.110 386 HB2 GLU 47 2HB GLU 47 9.247 1.484 6.682 387 HB3 GLU 47 1HB GLU 47 9.052 3.000 5.812 388 HG2 GLU 47 2HG GLU 47 11.064 3.016 7.165 389 HG3 GLU 47 1HG GLU 47 9.913 4.224 7.734 390 H LEU 48 H LEU 48 6.865 1.452 5.240 391 HA LEU 48 HA LEU 48 5.966 3.624 3.725 392 HB2 LEU 48 2HB LEU 48 6.328 0.959 3.239 393 HB3 LEU 48 1HB LEU 48 4.584 1.105 3.153 394 HG LEU 48 HG LEU 48 6.572 2.685 1.519 395 HD11 LEU 48 1HD1 LEU 48 5.696 1.400 -0.366 396 HD12 LEU 48 2HD1 LEU 48 4.683 0.470 0.737 397 HD13 LEU 48 3HD1 LEU 48 6.439 0.351 0.842 398 HD21 LEU 48 3HD2 LEU 48 3.556 2.668 1.456 399 HD22 LEU 48 1HD2 LEU 48 4.602 3.493 0.300 400 HD23 LEU 48 2HD2 LEU 48 4.583 3.999 1.989 401 H ALA 49 H ALA 49 4.238 1.615 6.036 402 HA ALA 49 HA ALA 49 1.630 2.403 5.326 403 HB1 ALA 49 1HB ALA 49 0.956 1.552 7.496 404 HB2 ALA 49 2HB ALA 49 2.636 1.543 8.035 405 HB3 ALA 49 3HB ALA 49 2.118 0.460 6.742 406 H ASP 50 H ASP 50 3.715 3.603 7.962 407 HA ASP 50 HA ASP 50 1.944 5.693 8.699 408 HB2 ASP 50 2HB ASP 50 3.640 4.712 10.217 409 HB3 ASP 50 1HB ASP 50 4.907 5.462 9.253 410 H HIS 51 H HIS 51 4.659 5.515 6.482 411 HA HIS 51 HA HIS 51 5.158 8.244 6.154 412 HB2 HIS 51 2HB HIS 51 6.608 6.387 5.329 413 HB3 HIS 51 1HB HIS 51 5.446 6.109 4.037 414 HD1 HIS 51 1HD HIS 51 8.302 8.259 4.981 415 HD2 HIS 51 2HD HIS 51 5.280 8.224 2.129 416 HE1 HIS 51 1HE HIS 51 8.987 9.919 3.200 417 H LEU 52 H LEU 52 3.174 6.131 4.049 418 HA LEU 52 HA LEU 52 2.317 8.114 2.317 419 HB2 LEU 52 2HB LEU 52 0.345 6.620 1.876 420 HB3 LEU 52 1HB LEU 52 1.926 5.890 1.679 421 HG LEU 52 HG LEU 52 1.517 5.070 4.145 422 HD11 LEU 52 1HD1 LEU 52 -1.303 5.390 3.130 423 HD12 LEU 52 2HD1 LEU 52 -0.580 6.333 4.431 424 HD13 LEU 52 3HD1 LEU 52 -0.806 4.595 4.623 425 HD21 LEU 52 3HD2 LEU 52 1.843 3.618 2.234 426 HD22 LEU 52 1HD2 LEU 52 0.175 3.875 1.724 427 HD23 LEU 52 2HD2 LEU 52 0.515 3.022 3.228 428 H ILE 53 H ILE 53 1.120 7.312 5.514 429 HA ILE 53 HA ILE 53 -1.334 8.661 5.416 430 HB ILE 53 HB ILE 53 0.504 8.305 7.789 431 HG12 ILE 53 2HG1 ILE 53 -1.896 6.669 6.943 432 HG13 ILE 53 1HG1 ILE 53 -0.227 6.208 6.629 433 HG21 ILE 53 1HG2 ILE 53 -2.433 8.987 7.683 434 HG22 ILE 53 2HG2 ILE 53 -1.129 10.061 8.191 435 HG23 ILE 53 3HG2 ILE 53 -1.515 8.630 9.147 436 HD11 ILE 53 3HD1 ILE 53 -1.080 5.032 8.554 437 HD12 ILE 53 1HD1 ILE 53 -1.504 6.559 9.330 438 HD13 ILE 53 2HD1 ILE 53 0.189 6.154 9.047 439 H GLN 54 H GLN 54 1.926 9.818 5.826 440 HA GLN 54 HA GLN 54 1.234 12.428 6.744 441 HB2 GLN 54 2HB GLN 54 3.441 11.366 7.146 442 HB3 GLN 54 1HB GLN 54 3.790 11.491 5.427 443 HG2 GLN 54 2HG GLN 54 3.607 13.942 5.597 444 HG3 GLN 54 1HG GLN 54 3.345 13.778 7.334 445 HE21 GLN 54 1HE2 GLN 54 5.641 13.547 4.741 446 HE22 GLN 54 2HE2 GLN 54 7.056 13.462 5.726 447 H SER 55 H SER 55 1.520 10.929 3.619 448 HA SER 55 HA SER 55 1.700 13.419 2.179 449 HB2 SER 55 2HB SER 55 1.593 12.063 0.169 450 HB3 SER 55 1HB SER 55 2.716 11.326 1.310 451 HG SER 55 HG SER 55 1.473 9.637 1.412 452 H ALA 56 H ALA 56 -0.808 10.861 2.357 453 HA ALA 56 HA ALA 56 -2.787 12.952 1.710 454 HB1 ALA 56 1HB ALA 56 -4.088 11.303 0.504 455 HB2 ALA 56 2HB ALA 56 -2.909 10.052 0.901 456 HB3 ALA 56 3HB ALA 56 -2.453 11.390 -0.153 457 H GLY 57 H GLY 57 -2.117 10.030 3.566 458 HA2 GLY 57 2HA GLY 57 -3.142 10.392 5.910 459 HA3 GLY 57 1HA GLY 57 -4.656 10.400 5.016 460 H ALA 58 H ALA 58 -4.760 8.587 6.819 461 HA ALA 58 HA ALA 58 -3.473 6.119 6.217 462 HB1 ALA 58 1HB ALA 58 -4.217 6.674 8.475 463 HB2 ALA 58 2HB ALA 58 -4.932 5.161 7.916 464 HB3 ALA 58 3HB ALA 58 -5.896 6.638 7.934 465 H ALA 59 H ALA 59 -6.983 6.766 6.223 466 HA ALA 59 HA ALA 59 -7.551 4.544 4.558 467 HB1 ALA 59 1HB ALA 59 -9.163 5.449 6.162 468 HB2 ALA 59 2HB ALA 59 -9.833 5.368 4.534 469 HB3 ALA 59 3HB ALA 59 -9.299 6.915 5.191 470 H SER 60 H SER 60 -6.968 7.932 3.909 471 HA SER 60 HA SER 60 -8.012 7.985 1.282 472 HB2 SER 60 2HB SER 60 -7.648 10.028 2.562 473 HB3 SER 60 1HB SER 60 -5.909 9.736 2.568 474 HG SER 60 HG SER 60 -6.107 11.021 0.869 475 H ALA 61 H ALA 61 -4.649 7.673 2.445 476 HA ALA 61 HA ALA 61 -3.588 7.379 -0.180 477 HB1 ALA 61 1HB ALA 61 -2.313 6.694 2.458 478 HB2 ALA 61 2HB ALA 61 -2.267 8.270 1.670 479 HB3 ALA 61 3HB ALA 61 -1.484 6.882 0.913 480 H VAL 62 H VAL 62 -4.337 5.035 2.393 481 HA VAL 62 HA VAL 62 -3.240 2.782 1.155 482 HB VAL 62 HB VAL 62 -5.564 2.982 3.071 483 HG11 VAL 62 1HG1 VAL 62 -5.187 0.575 3.498 484 HG12 VAL 62 2HG1 VAL 62 -4.063 0.536 2.138 485 HG13 VAL 62 3HG1 VAL 62 -5.768 0.895 1.864 486 HG21 VAL 62 3HG2 VAL 62 -2.696 2.166 3.520 487 HG22 VAL 62 1HG2 VAL 62 -3.950 2.343 4.747 488 HG23 VAL 62 2HG2 VAL 62 -3.357 3.760 3.880 489 H THR 63 H THR 63 -6.337 4.366 0.644 490 HA THR 63 HA THR 63 -7.476 2.224 -0.867 491 HB THR 63 HB THR 63 -9.119 3.993 -1.633 492 HG1 THR 63 1HG THR 63 -8.666 5.806 0.216 493 HG21 THR 63 3HG2 THR 63 -8.699 3.629 1.334 494 HG22 THR 63 1HG2 THR 63 -9.586 2.543 0.265 495 HG23 THR 63 2HG2 THR 63 -10.195 4.169 0.572 496 H LYS 64 H LYS 64 -6.058 5.364 -1.787 497 HA LYS 64 HA LYS 64 -6.293 4.895 -4.577 498 HB2 LYS 64 2HB LYS 64 -4.786 6.846 -4.808 499 HB3 LYS 64 1HB LYS 64 -6.149 7.156 -3.743 500 HG2 LYS 64 2HG LYS 64 -4.504 8.070 -2.486 501 HG3 LYS 64 1HG LYS 64 -4.393 6.408 -1.903 502 HD2 LYS 64 2HD LYS 64 -2.582 5.968 -3.485 503 HD3 LYS 64 1HD LYS 64 -2.703 7.622 -4.088 504 HE2 LYS 64 2HE LYS 64 -2.117 8.468 -1.863 505 HE3 LYS 64 1HE LYS 64 -1.987 6.811 -1.273 506 HZ1 LYS 64 3HZ LYS 64 -0.303 8.051 -3.382 507 HZ2 LYS 64 1HZ LYS 64 -0.200 6.439 -2.877 508 HZ3 LYS 64 2HZ LYS 64 0.180 7.688 -1.802 509 H ALA 65 H ALA 65 -3.999 3.922 -2.206 510 HA ALA 65 HA ALA 65 -1.699 3.586 -3.757 511 HB1 ALA 65 1HB ALA 65 -1.721 3.416 -1.315 512 HB2 ALA 65 2HB ALA 65 -0.979 1.997 -2.056 513 HB3 ALA 65 3HB ALA 65 -2.624 1.905 -1.429 514 H ILE 66 H ILE 66 -4.584 1.635 -3.472 515 HA ILE 66 HA ILE 66 -3.600 -0.737 -4.638 516 HB ILE 66 HB ILE 66 -6.415 0.359 -4.606 517 HG12 ILE 66 2HG1 ILE 66 -5.383 -0.019 -2.372 518 HG13 ILE 66 1HG1 ILE 66 -6.766 -1.062 -2.680 519 HG21 ILE 66 1HG2 ILE 66 -6.226 -1.285 -6.349 520 HG22 ILE 66 2HG2 ILE 66 -7.096 -1.992 -4.988 521 HG23 ILE 66 3HG2 ILE 66 -5.404 -2.403 -5.262 522 HD11 ILE 66 3HD1 ILE 66 -3.890 -1.897 -2.980 523 HD12 ILE 66 1HD1 ILE 66 -5.315 -2.927 -3.127 524 HD13 ILE 66 2HD1 ILE 66 -4.898 -2.215 -1.568 525 H ASN 67 H ASN 67 -5.212 2.095 -6.027 526 HA ASN 67 HA ASN 67 -5.514 1.165 -8.638 527 HB2 ASN 67 2HB ASN 67 -6.578 3.210 -7.738 528 HB3 ASN 67 1HB ASN 67 -5.009 4.010 -7.751 529 HD21 ASN 67 1HD2 ASN 67 -7.640 2.824 -9.664 530 HD22 ASN 67 2HD2 ASN 67 -7.173 3.581 -11.146 531 H ILE 68 H ILE 68 -2.751 2.713 -7.081 532 HA ILE 68 HA ILE 68 -1.249 2.987 -9.506 533 HB ILE 68 HB ILE 68 -0.219 3.039 -6.668 534 HG12 ILE 68 2HG1 ILE 68 -1.084 5.381 -8.373 535 HG13 ILE 68 1HG1 ILE 68 -2.093 4.654 -7.127 536 HG21 ILE 68 1HG2 ILE 68 1.603 4.377 -7.611 537 HG22 ILE 68 2HG2 ILE 68 0.912 4.179 -9.221 538 HG23 ILE 68 3HG2 ILE 68 1.526 2.776 -8.346 539 HD11 ILE 68 3HD1 ILE 68 -1.016 6.641 -6.286 540 HD12 ILE 68 1HD1 ILE 68 0.569 5.994 -6.711 541 HD13 ILE 68 2HD1 ILE 68 -0.390 5.218 -5.450 542 H PHE 69 H PHE 69 -0.969 0.838 -6.686 543 HA PHE 69 HA PHE 69 1.195 -0.672 -7.554 544 HB2 PHE 69 2HB PHE 69 0.368 -0.747 -5.265 545 HB3 PHE 69 1HB PHE 69 -1.122 -1.511 -5.804 546 HD1 PHE 69 2HD PHE 69 2.568 -2.029 -5.933 547 HD2 PHE 69 1HD PHE 69 -1.293 -3.798 -5.662 548 HE1 PHE 69 2HE PHE 69 3.606 -4.240 -5.639 549 HE2 PHE 69 1HE PHE 69 -0.263 -6.013 -5.367 550 HZ PHE 69 HZ PHE 69 2.190 -6.236 -5.357 551 H GLN 70 H GLN 70 -2.242 -1.075 -8.270 552 HA GLN 70 HA GLN 70 -1.965 -3.637 -9.459 553 HB2 GLN 70 2HB GLN 70 -4.229 -3.315 -10.285 554 HB3 GLN 70 1HB GLN 70 -4.114 -2.802 -8.612 555 HG2 GLN 70 2HG GLN 70 -3.999 -0.468 -9.347 556 HG3 GLN 70 1HG GLN 70 -4.155 -1.001 -11.020 557 HE21 GLN 70 1HE2 GLN 70 -6.125 -1.794 -11.750 558 HE22 GLN 70 2HE2 GLN 70 -7.597 -1.537 -10.883 559 H LYS 71 H LYS 71 -2.382 -0.421 -10.919 560 HA LYS 71 HA LYS 71 -2.066 -1.313 -13.579 561 HB2 LYS 71 2HB LYS 71 -1.728 1.445 -12.398 562 HB3 LYS 71 1HB LYS 71 -1.842 1.088 -14.115 563 HG2 LYS 71 2HG LYS 71 -4.098 0.225 -13.795 564 HG3 LYS 71 1HG LYS 71 -3.980 0.552 -12.065 565 HD2 LYS 71 2HD LYS 71 -3.680 2.943 -12.553 566 HD3 LYS 71 1HD LYS 71 -3.843 2.601 -14.276 567 HE2 LYS 71 2HE LYS 71 -6.104 1.754 -13.893 568 HE3 LYS 71 1HE LYS 71 -5.939 2.086 -12.170 569 HZ1 LYS 71 3HZ LYS 71 -5.875 4.112 -14.341 570 HZ2 LYS 71 1HZ LYS 71 -5.689 4.438 -12.690 571 HZ3 LYS 71 2HZ LYS 71 -7.160 3.841 -13.275 572 H LEU 72 H LEU 72 0.253 -1.088 -11.155 573 HA LEU 72 HA LEU 72 2.374 -0.398 -13.079 574 HB2 LEU 72 2HB LEU 72 1.912 0.091 -10.261 575 HB3 LEU 72 1HB LEU 72 3.508 -0.552 -10.570 576 HG LEU 72 HG LEU 72 3.565 1.858 -10.517 577 HD11 LEU 72 1HD1 LEU 72 4.600 2.295 -12.694 578 HD12 LEU 72 2HD1 LEU 72 3.910 0.797 -13.316 579 HD13 LEU 72 3HD1 LEU 72 5.110 0.745 -12.024 580 HD21 LEU 72 3HD2 LEU 72 1.251 2.302 -11.144 581 HD22 LEU 72 1HD2 LEU 72 1.591 1.769 -12.791 582 HD23 LEU 72 2HD2 LEU 72 2.371 3.216 -12.154 583 H ASN 73 H ASN 73 1.580 -2.846 -10.597 584 HA ASN 73 HA ASN 73 3.749 -4.466 -11.763 585 HB2 ASN 73 2HB ASN 73 2.925 -4.340 -8.866 586 HB3 ASN 73 1HB ASN 73 4.141 -5.428 -9.529 587 HD21 ASN 73 1HD2 ASN 73 4.402 -3.358 -7.503 588 HD22 ASN 73 2HD2 ASN 73 5.609 -2.265 -8.082 589 H TYR 74 H TYR 74 0.711 -4.780 -9.918 590 HA TYR 74 HA TYR 74 0.262 -7.311 -11.341 591 HB2 TYR 74 2HB TYR 74 0.350 -6.943 -8.373 592 HB3 TYR 74 1HB TYR 74 -0.651 -8.204 -9.083 593 HD1 TYR 74 2HD TYR 74 0.607 -9.733 -10.846 594 HD2 TYR 74 1HD TYR 74 2.527 -7.463 -7.803 595 HE1 TYR 74 2HE TYR 74 2.562 -11.220 -10.979 596 HE2 TYR 74 1HE TYR 74 4.487 -8.944 -7.928 597 HH TYR 74 HH TYR 74 5.026 -11.226 -8.642 598 H MET 75 H MET 75 -1.173 -5.484 -12.369 599 HA MET 75 HA MET 75 -3.462 -4.526 -11.157 600 HB2 MET 75 2HB MET 75 -2.748 -3.876 -13.413 601 HB3 MET 75 1HB MET 75 -3.160 -5.477 -14.010 602 HG2 MET 75 2HG MET 75 -5.514 -5.060 -13.389 603 HG3 MET 75 1HG MET 75 -5.066 -3.423 -12.911 604 HE1 MET 75 3HE MET 75 -2.860 -2.768 -15.147 605 HE2 MET 75 1HE MET 75 -4.087 -1.604 -14.647 606 HE3 MET 75 2HE MET 75 -3.842 -1.947 -16.360 607 H HIS 76 H HIS 76 -2.679 -7.761 -11.999 608 HA HIS 76 HA HIS 76 -5.393 -8.725 -12.054 609 HB2 HIS 76 2HB HIS 76 -3.682 -9.833 -13.395 610 HB3 HIS 76 1HB HIS 76 -2.762 -10.210 -11.943 611 HD1 HIS 76 1HD HIS 76 -3.404 -12.329 -10.690 612 HD2 HIS 76 2HD HIS 76 -6.119 -11.292 -13.659 613 HE1 HIS 76 1HE HIS 76 -4.998 -14.280 -10.907 614 H ILE 77 H ILE 77 -2.638 -9.096 -9.815 615 HA ILE 77 HA ILE 77 -4.054 -10.578 -7.871 616 HB ILE 77 HB ILE 77 -1.550 -8.911 -7.636 617 HG12 ILE 77 2HG1 ILE 77 -2.007 -11.899 -7.804 618 HG13 ILE 77 1HG1 ILE 77 -1.377 -10.878 -9.092 619 HG21 ILE 77 1HG2 ILE 77 -2.734 -10.802 -5.604 620 HG22 ILE 77 2HG2 ILE 77 -2.628 -9.048 -5.453 621 HG23 ILE 77 3HG2 ILE 77 -1.157 -10.019 -5.489 622 HD11 ILE 77 3HD1 ILE 77 0.546 -10.331 -7.592 623 HD12 ILE 77 1HD1 ILE 77 0.454 -12.016 -8.108 624 HD13 ILE 77 2HD1 ILE 77 -0.058 -11.562 -6.482 625 H ALA 78 H ALA 78 -3.256 -7.122 -8.051 626 HA ALA 78 HA ALA 78 -4.276 -6.301 -5.618 627 HB1 ALA 78 1HB ALA 78 -2.958 -4.874 -7.108 628 HB2 ALA 78 2HB ALA 78 -4.444 -4.082 -6.581 629 HB3 ALA 78 3HB ALA 78 -4.334 -4.760 -8.205 630 H ASN 79 H ASN 79 -5.986 -7.102 -8.563 631 HA ASN 79 HA ASN 79 -8.433 -5.871 -8.094 632 HB2 ASN 79 2HB ASN 79 -7.811 -7.038 -10.195 633 HB3 ASN 79 1HB ASN 79 -7.990 -8.581 -9.365 634 HD21 ASN 79 1HD2 ASN 79 -10.044 -9.293 -8.787 635 HD22 ASN 79 2HD2 ASN 79 -11.474 -8.625 -9.488 636 H ALA 80 H ALA 80 -7.177 -8.933 -6.865 637 HA ALA 80 HA ALA 80 -9.605 -9.713 -5.586 638 HB1 ALA 80 1HB ALA 80 -6.784 -10.651 -5.077 639 HB2 ALA 80 2HB ALA 80 -7.908 -11.343 -6.246 640 HB3 ALA 80 3HB ALA 80 -8.259 -11.443 -4.520 641 H LEU 81 H LEU 81 -6.794 -7.860 -4.628 642 HA LEU 81 HA LEU 81 -7.328 -7.889 -1.829 643 HB2 LEU 81 2HB LEU 81 -5.093 -7.494 -2.723 644 HB3 LEU 81 1HB LEU 81 -5.642 -6.016 -3.488 645 HG LEU 81 HG LEU 81 -6.078 -5.038 -1.264 646 HD11 LEU 81 1HD1 LEU 81 -5.221 -6.168 0.734 647 HD12 LEU 81 2HD1 LEU 81 -4.853 -7.595 -0.236 648 HD13 LEU 81 3HD1 LEU 81 -6.527 -7.080 -0.025 649 HD21 LEU 81 3HD2 LEU 81 -3.740 -4.743 -0.621 650 HD22 LEU 81 1HD2 LEU 81 -3.938 -4.660 -2.371 651 HD23 LEU 81 2HD2 LEU 81 -3.286 -6.119 -1.626 652 H GLU 82 H GLU 82 -8.010 -5.556 -4.420 653 HA GLU 82 HA GLU 82 -9.001 -3.494 -2.816 654 HB2 GLU 82 2HB GLU 82 -10.070 -2.633 -4.826 655 HB3 GLU 82 1HB GLU 82 -8.444 -3.198 -5.185 656 HG2 GLU 82 2HG GLU 82 -9.291 -5.182 -6.209 657 HG3 GLU 82 1HG GLU 82 -10.934 -4.805 -5.692 658 H GLU 83 H GLU 83 -10.446 -6.490 -3.780 659 HA GLU 83 HA GLU 83 -13.161 -5.854 -3.494 660 HB2 GLU 83 2HB GLU 83 -12.324 -7.955 -4.488 661 HB3 GLU 83 1HB GLU 83 -11.789 -8.481 -2.898 662 HG2 GLU 83 2HG GLU 83 -13.884 -9.535 -3.497 663 HG3 GLU 83 1HG GLU 83 -14.096 -8.468 -2.109 664 H LYS 84 H LYS 84 -10.699 -6.647 -1.133 665 HA LYS 84 HA LYS 84 -12.319 -7.174 1.085 666 HB2 LYS 84 2HB LYS 84 -9.880 -7.596 0.979 667 HB3 LYS 84 1HB LYS 84 -9.597 -5.863 1.061 668 HG2 LYS 84 2HG LYS 84 -10.593 -5.780 3.273 669 HG3 LYS 84 1HG LYS 84 -10.957 -7.504 3.188 670 HD2 LYS 84 2HD LYS 84 -8.997 -7.456 4.430 671 HD3 LYS 84 1HD LYS 84 -8.414 -7.780 2.797 672 HE2 LYS 84 2HE LYS 84 -8.513 -5.055 4.088 673 HE3 LYS 84 1HE LYS 84 -7.079 -6.073 3.997 674 HZ1 LYS 84 3HZ LYS 84 -6.998 -4.492 2.237 675 HZ2 LYS 84 1HZ LYS 84 -8.563 -4.878 1.723 676 HZ3 LYS 84 2HZ LYS 84 -7.314 -6.003 1.545 677 H LYS 85 H LYS 85 -11.453 -4.176 -0.441 678 HA LYS 85 HA LYS 85 -11.781 -2.323 1.566 679 HB2 LYS 85 2HB LYS 85 -11.060 -1.758 -0.708 680 HB3 LYS 85 1HB LYS 85 -12.683 -2.074 -1.307 681 HG2 LYS 85 2HG LYS 85 -13.534 -0.238 0.097 682 HG3 LYS 85 1HG LYS 85 -11.881 0.100 0.617 683 HD2 LYS 85 2HD LYS 85 -11.246 0.542 -1.708 684 HD3 LYS 85 1HD LYS 85 -12.901 0.214 -2.222 685 HE2 LYS 85 2HE LYS 85 -13.683 2.081 -0.827 686 HE3 LYS 85 1HE LYS 85 -12.015 2.420 -0.366 687 HZ1 LYS 85 3HZ LYS 85 -13.090 2.526 -3.133 688 HZ2 LYS 85 1HZ LYS 85 -11.499 2.876 -2.676 689 HZ3 LYS 85 2HZ LYS 85 -12.766 3.868 -2.154 690 H LYS 86 H LYS 86 -14.288 -4.071 -0.196 691 HA LYS 86 HA LYS 86 -16.507 -2.552 0.461 692 HB2 LYS 86 2HB LYS 86 -17.843 -4.486 0.053 693 HB3 LYS 86 1HB LYS 86 -16.471 -4.566 -1.042 694 HG2 LYS 86 2HG LYS 86 -15.383 -6.185 0.420 695 HG3 LYS 86 1HG LYS 86 -16.740 -6.086 1.545 696 HD2 LYS 86 2HD LYS 86 -18.244 -6.929 -0.185 697 HD3 LYS 86 1HD LYS 86 -16.898 -7.010 -1.325 698 HE2 LYS 86 2HE LYS 86 -17.376 -9.206 -0.380 699 HE3 LYS 86 1HE LYS 86 -15.778 -8.642 0.108 700 HZ1 LYS 86 3HZ LYS 86 -16.970 -9.623 1.962 701 HZ2 LYS 86 1HZ LYS 86 -18.238 -8.519 1.770 702 HZ3 LYS 86 2HZ LYS 86 -16.706 -7.975 2.239 703 H GLU 87 H GLU 87 -14.781 -4.925 2.412 704 HA GLU 87 HA GLU 87 -16.659 -4.833 4.581 705 HB2 GLU 87 2HB GLU 87 -15.300 -6.833 4.157 706 HB3 GLU 87 1HB GLU 87 -13.837 -5.913 4.480 707 HG2 GLU 87 2HG GLU 87 -14.545 -5.570 6.784 708 HG3 GLU 87 1HG GLU 87 -16.033 -6.460 6.466 709 H ALA 88 H ALA 88 -13.754 -3.130 3.691 710 HA ALA 88 HA ALA 88 -13.006 -2.089 6.175 711 HB1 ALA 88 1HB ALA 88 -11.612 -1.966 4.158 712 HB2 ALA 88 2HB ALA 88 -11.798 -0.394 4.936 713 HB3 ALA 88 3HB ALA 88 -12.718 -0.771 3.480 714 H GLU 89 H GLU 89 -15.574 -1.185 4.005 715 HA GLU 89 HA GLU 89 -16.101 1.420 4.766 716 HB2 GLU 89 2HB GLU 89 -18.082 -0.754 4.069 717 HB3 GLU 89 1HB GLU 89 -18.450 0.966 4.116 718 HG2 GLU 89 2HG GLU 89 -16.828 1.361 2.334 719 HG3 GLU 89 1HG GLU 89 -16.464 -0.363 2.286 720 H ARG 90 H ARG 90 -17.535 -1.528 6.184 721 HA ARG 90 HA ARG 90 -18.860 -0.118 8.263 722 HB2 ARG 90 2HB ARG 90 -19.283 -2.339 9.225 723 HB3 ARG 90 1HB ARG 90 -19.656 -2.292 7.508 724 HG2 ARG 90 2HG ARG 90 -17.559 -3.404 7.000 725 HG3 ARG 90 1HG ARG 90 -17.134 -3.413 8.713 726 HD2 ARG 90 2HD ARG 90 -19.515 -4.795 7.478 727 HD3 ARG 90 1HD ARG 90 -18.015 -5.578 7.973 728 HE ARG 90 HE ARG 90 -18.978 -4.242 10.196 729 HH11 ARG 90 1HH1 ARG 90 -20.040 -6.804 8.086 730 HH12 ARG 90 2HH1 ARG 90 -20.948 -7.615 9.317 731 HH21 ARG 90 1HH2 ARG 90 -20.172 -5.306 11.823 732 HH22 ARG 90 2HH2 ARG 90 -21.023 -6.765 11.438 733 H LYS 91 H LYS 91 -15.678 -1.495 7.929 734 HA LYS 91 HA LYS 91 -14.995 -1.692 10.651 735 HB2 LYS 91 2HB LYS 91 -13.286 -1.249 8.203 736 HB3 LYS 91 1HB LYS 91 -12.625 -1.526 9.808 737 HG2 LYS 91 2HG LYS 91 -13.692 -3.708 9.893 738 HG3 LYS 91 1HG LYS 91 -14.409 -3.430 8.304 739 HD2 LYS 91 2HD LYS 91 -12.444 -4.828 8.083 740 HD3 LYS 91 1HD LYS 91 -12.141 -3.254 7.346 741 HE2 LYS 91 2HE LYS 91 -10.223 -4.028 8.661 742 HE3 LYS 91 1HE LYS 91 -10.911 -2.543 9.320 743 HZ1 LYS 91 3HZ LYS 91 -12.048 -3.845 10.997 744 HZ2 LYS 91 1HZ LYS 91 -10.385 -4.153 11.054 745 HZ3 LYS 91 2HZ LYS 91 -11.431 -5.281 10.351 746 H LEU 92 H LEU 92 -15.300 1.025 8.549 747 HA LEU 92 HA LEU 92 -13.998 2.758 10.540 748 HB2 LEU 92 2HB LEU 92 -14.614 3.246 7.628 749 HB3 LEU 92 1HB LEU 92 -13.952 4.454 8.711 750 HG LEU 92 HG LEU 92 -12.593 1.859 7.975 751 HD11 LEU 92 1HD1 LEU 92 -11.068 3.280 6.687 752 HD12 LEU 92 2HD1 LEU 92 -12.072 4.683 7.054 753 HD13 LEU 92 3HD1 LEU 92 -12.719 3.366 6.075 754 HD21 LEU 92 3HD2 LEU 92 -11.945 2.602 10.182 755 HD22 LEU 92 1HD2 LEU 92 -11.660 4.236 9.581 756 HD23 LEU 92 2HD2 LEU 92 -10.628 2.907 9.049 757 H MET 93 H MET 93 -16.997 1.758 9.437 758 HA MET 93 HA MET 93 -18.363 4.277 9.912 759 HB2 MET 93 2HB MET 93 -19.097 2.730 8.111 760 HB3 MET 93 1HB MET 93 -19.520 1.542 9.337 761 HG2 MET 93 2HG MET 93 -21.486 2.723 8.566 762 HG3 MET 93 1HG MET 93 -21.171 3.077 10.263 763 HE1 MET 93 3HE MET 93 -23.172 4.812 8.566 764 HE2 MET 93 1HE MET 93 -22.691 6.452 9.005 765 HE3 MET 93 2HE MET 93 -22.765 5.195 10.240 766 H THR 94 H THR 94 -17.557 1.389 11.617 767 HA THR 94 HA THR 94 -19.557 1.330 13.570 768 HB THR 94 HB THR 94 -18.016 -0.522 13.329 769 HG1 THR 94 1HG THR 94 -17.726 0.767 15.858 770 HG21 THR 94 3HG2 THR 94 -15.678 -0.351 14.063 771 HG22 THR 94 1HG2 THR 94 -15.894 1.377 14.339 772 HG23 THR 94 2HG2 THR 94 -16.008 0.724 12.705 773 H ASN 95 H ASN 95 -19.769 2.247 15.586 774 HA ASN 95 HA ASN 95 -18.103 4.620 16.062 775 HB2 ASN 95 2HB ASN 95 -20.030 5.326 17.552 776 HB3 ASN 95 1HB ASN 95 -20.382 5.255 15.829 777 HD21 ASN 95 1HD2 ASN 95 -21.096 4.009 18.941 778 HD22 ASN 95 2HD2 ASN 95 -22.366 2.938 18.466 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -10.048 -2.239 13.055 2 H2 MET 1 2HT MET 1 -9.572 -2.463 14.661 3 H3 MET 1 3HT MET 1 -8.541 -2.926 13.402 4 HA MET 1 HA MET 1 -9.363 -0.158 14.061 5 HB2 MET 1 2HB MET 1 -6.714 -1.589 14.347 6 HB3 MET 1 1HB MET 1 -6.956 0.134 14.606 7 HG2 MET 1 2HG MET 1 -8.524 -0.379 16.425 8 HG3 MET 1 1HG MET 1 -8.214 -2.097 16.185 9 HE1 MET 1 2HE MET 1 -5.107 -2.135 15.551 10 HE2 MET 1 3HE MET 1 -5.879 -3.265 16.662 11 HE3 MET 1 1HE MET 1 -4.434 -2.386 17.161 12 H GLU 2 H GLU 2 -8.536 1.466 12.723 13 HA GLU 2 HA GLU 2 -8.408 0.845 9.981 14 HB2 GLU 2 2HB GLU 2 -7.943 3.182 9.620 15 HB3 GLU 2 1HB GLU 2 -9.136 3.040 10.902 16 HG2 GLU 2 2HG GLU 2 -6.193 3.466 11.361 17 HG3 GLU 2 1HG GLU 2 -7.397 4.753 11.319 18 H SER 3 H SER 3 -5.955 1.173 12.430 19 HA SER 3 HA SER 3 -3.700 1.561 10.825 20 HB2 SER 3 2HB SER 3 -3.922 0.054 13.441 21 HB3 SER 3 1HB SER 3 -2.418 0.620 12.717 22 HG SER 3 HG SER 3 -4.592 2.247 13.551 23 H GLU 4 H GLU 4 -5.477 -1.356 11.653 24 HA GLU 4 HA GLU 4 -3.551 -3.154 10.540 25 HB2 GLU 4 2HB GLU 4 -5.130 -3.867 12.282 26 HB3 GLU 4 1HB GLU 4 -6.474 -3.590 11.182 27 HG2 GLU 4 2HG GLU 4 -5.660 -5.340 9.712 28 HG3 GLU 4 1HG GLU 4 -4.267 -5.595 10.762 29 H TYR 5 H TYR 5 -6.303 -1.392 9.327 30 HA TYR 5 HA TYR 5 -6.680 -2.892 6.948 31 HB2 TYR 5 2HB TYR 5 -8.455 -1.472 7.763 32 HB3 TYR 5 1HB TYR 5 -7.426 -0.049 7.655 33 HD1 TYR 5 1HD TYR 5 -8.411 -2.822 5.335 34 HD2 TYR 5 2HD TYR 5 -8.011 1.370 5.942 35 HE1 TYR 5 1HE TYR 5 -9.220 -2.418 3.048 36 HE2 TYR 5 2HE TYR 5 -8.819 1.785 3.657 37 HH TYR 5 HH TYR 5 -10.263 -0.646 1.750 38 H ARG 6 H ARG 6 -4.728 -0.070 7.757 39 HA ARG 6 HA ARG 6 -3.836 0.300 5.037 40 HB2 ARG 6 2HB ARG 6 -2.395 2.061 6.010 41 HB3 ARG 6 1HB ARG 6 -4.086 2.247 6.456 42 HG2 ARG 6 2HG ARG 6 -3.571 1.151 8.626 43 HG3 ARG 6 1HG ARG 6 -1.866 1.161 8.173 44 HD2 ARG 6 2HD ARG 6 -1.965 3.614 7.965 45 HD3 ARG 6 1HD ARG 6 -3.647 3.575 8.492 46 HE ARG 6 HE ARG 6 -1.752 2.346 10.301 47 HH11 ARG 6 1HH1 ARG 6 -3.485 5.238 9.424 48 HH12 ARG 6 2HH1 ARG 6 -3.341 5.954 10.995 49 HH21 ARG 6 1HH2 ARG 6 -1.559 3.279 12.370 50 HH22 ARG 6 2HH2 ARG 6 -2.245 4.842 12.669 51 H GLU 7 H GLU 7 -2.640 -1.198 7.965 52 HA GLU 7 HA GLU 7 0.047 -1.538 7.084 53 HB2 GLU 7 2HB GLU 7 -0.602 -1.548 9.460 54 HB3 GLU 7 1HB GLU 7 -1.496 -3.040 9.203 55 HG2 GLU 7 2HG GLU 7 0.555 -4.211 8.662 56 HG3 GLU 7 1HG GLU 7 1.473 -2.716 8.831 57 H MET 8 H MET 8 -2.742 -3.735 7.241 58 HA MET 8 HA MET 8 -1.373 -5.963 6.146 59 HB2 MET 8 2HB MET 8 -3.344 -6.288 7.500 60 HB3 MET 8 1HB MET 8 -4.321 -5.350 6.380 61 HG2 MET 8 2HG MET 8 -4.767 -7.689 6.082 62 HG3 MET 8 1HG MET 8 -3.950 -7.058 4.654 63 HE1 MET 8 3HE MET 8 -3.659 -9.301 7.850 64 HE2 MET 8 1HE MET 8 -2.471 -8.037 8.175 65 HE3 MET 8 2HE MET 8 -1.937 -9.690 7.867 66 H LEU 9 H LEU 9 -3.664 -3.642 4.715 67 HA LEU 9 HA LEU 9 -3.802 -4.755 2.171 68 HB2 LEU 9 2HB LEU 9 -5.268 -2.961 3.050 69 HB3 LEU 9 1HB LEU 9 -3.944 -1.826 2.871 70 HG LEU 9 HG LEU 9 -4.793 -3.348 0.456 71 HD11 LEU 9 1HD1 LEU 9 -6.341 -1.042 1.627 72 HD12 LEU 9 2HD1 LEU 9 -6.924 -2.690 1.388 73 HD13 LEU 9 3HD1 LEU 9 -6.542 -1.677 -0.005 74 HD21 LEU 9 3HD2 LEU 9 -2.920 -1.862 0.254 75 HD22 LEU 9 1HD2 LEU 9 -3.824 -0.545 0.999 76 HD23 LEU 9 2HD2 LEU 9 -4.291 -1.145 -0.592 77 H LEU 10 H LEU 10 -1.395 -2.549 3.514 78 HA LEU 10 HA LEU 10 -0.116 -2.085 0.993 79 HB2 LEU 10 2HB LEU 10 0.344 -1.317 3.806 80 HB3 LEU 10 1HB LEU 10 1.775 -1.396 2.797 81 HG LEU 10 HG LEU 10 0.837 0.872 2.905 82 HD11 LEU 10 1HD1 LEU 10 0.598 -0.400 0.184 83 HD12 LEU 10 2HD1 LEU 10 2.086 0.181 0.929 84 HD13 LEU 10 3HD1 LEU 10 0.806 1.320 0.509 85 HD21 LEU 10 3HD2 LEU 10 -1.567 -0.355 1.560 86 HD22 LEU 10 1HD2 LEU 10 -1.290 1.371 1.794 87 HD23 LEU 10 2HD2 LEU 10 -1.512 0.317 3.190 88 H LEU 11 H LEU 11 0.806 -3.975 3.878 89 HA LEU 11 HA LEU 11 3.168 -5.015 2.777 90 HB2 LEU 11 2HB LEU 11 3.410 -5.664 4.876 91 HB3 LEU 11 1HB LEU 11 1.751 -5.225 5.212 92 HG LEU 11 HG LEU 11 2.417 -7.921 4.064 93 HD11 LEU 11 1HD1 LEU 11 3.816 -7.670 6.039 94 HD12 LEU 11 2HD1 LEU 11 2.498 -8.802 6.344 95 HD13 LEU 11 3HD1 LEU 11 2.415 -7.159 6.981 96 HD21 LEU 11 3HD2 LEU 11 0.343 -8.548 5.202 97 HD22 LEU 11 1HD2 LEU 11 0.079 -7.229 4.063 98 HD23 LEU 11 2HD2 LEU 11 0.167 -6.896 5.793 99 H THR 12 H THR 12 -0.129 -5.910 2.276 100 HA THR 12 HA THR 12 0.087 -8.589 1.581 101 HB THR 12 HB THR 12 -1.713 -6.475 0.384 102 HG1 THR 12 1HG THR 12 -3.226 -7.700 1.819 103 HG21 THR 12 3HG2 THR 12 -1.581 -8.344 -1.153 104 HG22 THR 12 1HG2 THR 12 -3.135 -8.376 -0.323 105 HG23 THR 12 2HG2 THR 12 -1.853 -9.485 0.164 106 H GLY 13 H GLY 13 0.885 -5.718 -0.303 107 HA2 GLY 13 2HA GLY 13 1.512 -7.382 -2.629 108 HA3 GLY 13 1HA GLY 13 1.446 -5.629 -2.605 109 H LEU 14 H LEU 14 3.138 -5.257 -0.311 110 HA LEU 14 HA LEU 14 5.637 -5.132 -1.543 111 HB2 LEU 14 2HB LEU 14 4.684 -4.873 1.271 112 HB3 LEU 14 1HB LEU 14 6.408 -5.014 0.992 113 HG LEU 14 HG LEU 14 5.752 -2.684 1.198 114 HD11 LEU 14 1HD1 LEU 14 6.736 -1.829 -0.860 115 HD12 LEU 14 2HD1 LEU 14 6.516 -3.401 -1.628 116 HD13 LEU 14 3HD1 LEU 14 7.621 -3.232 -0.264 117 HD21 LEU 14 3HD2 LEU 14 3.467 -2.777 0.478 118 HD22 LEU 14 1HD2 LEU 14 3.951 -3.267 -1.145 119 HD23 LEU 14 2HD2 LEU 14 4.340 -1.650 -0.560 120 H ASP 15 H ASP 15 4.371 -7.521 0.755 121 HA ASP 15 HA ASP 15 6.811 -9.056 0.712 122 HB2 ASP 15 2HB ASP 15 5.352 -8.894 2.724 123 HB3 ASP 15 1HB ASP 15 4.113 -9.797 1.861 124 H HIS 16 H HIS 16 4.775 -8.639 -1.678 125 HA HIS 16 HA HIS 16 4.828 -11.472 -2.491 126 HB2 HIS 16 2HB HIS 16 2.523 -10.628 -2.035 127 HB3 HIS 16 1HB HIS 16 2.749 -9.435 -3.310 128 HD1 HIS 16 1HD HIS 16 2.838 -10.368 -5.787 129 HD2 HIS 16 2HD HIS 16 1.929 -13.176 -2.863 130 HE1 HIS 16 1HE HIS 16 1.934 -12.391 -7.004 131 H ILE 17 H ILE 17 5.664 -8.237 -3.243 132 HA ILE 17 HA ILE 17 6.136 -8.839 -6.061 133 HB ILE 17 HB ILE 17 6.799 -6.463 -6.251 134 HG12 ILE 17 2HG1 ILE 17 5.950 -6.284 -3.349 135 HG13 ILE 17 1HG1 ILE 17 7.616 -6.218 -3.912 136 HG21 ILE 17 1HG2 ILE 17 4.496 -7.142 -6.659 137 HG22 ILE 17 2HG2 ILE 17 4.553 -5.539 -5.929 138 HG23 ILE 17 3HG2 ILE 17 4.117 -6.939 -4.950 139 HD11 ILE 17 3HD1 ILE 17 6.792 -4.000 -3.446 140 HD12 ILE 17 1HD1 ILE 17 5.439 -4.242 -4.551 141 HD13 ILE 17 2HD1 ILE 17 7.088 -4.183 -5.175 142 H THR 18 H THR 18 8.217 -8.344 -7.042 143 HA THR 18 HA THR 18 10.374 -9.468 -5.512 144 HB THR 18 HB THR 18 11.696 -9.271 -7.557 145 HG1 THR 18 1HG THR 18 9.498 -7.688 -8.383 146 HG21 THR 18 3HG2 THR 18 10.189 -11.182 -7.343 147 HG22 THR 18 1HG2 THR 18 10.320 -10.674 -9.027 148 HG23 THR 18 2HG2 THR 18 8.888 -10.251 -8.088 149 H GLU 19 H GLU 19 12.593 -8.409 -5.669 150 HA GLU 19 HA GLU 19 12.495 -5.922 -4.310 151 HB2 GLU 19 2HB GLU 19 14.961 -6.017 -4.409 152 HB3 GLU 19 1HB GLU 19 14.252 -7.520 -3.835 153 HG2 GLU 19 2HG GLU 19 14.554 -8.508 -6.048 154 HG3 GLU 19 1HG GLU 19 15.263 -7.000 -6.623 155 H GLU 20 H GLU 20 13.323 -6.828 -7.629 156 HA GLU 20 HA GLU 20 14.285 -4.311 -8.443 157 HB2 GLU 20 2HB GLU 20 13.815 -5.126 -10.753 158 HB3 GLU 20 1HB GLU 20 14.757 -6.247 -9.781 159 HG2 GLU 20 2HG GLU 20 12.762 -7.580 -9.365 160 HG3 GLU 20 1HG GLU 20 11.800 -6.446 -10.312 161 H GLU 21 H GLU 21 11.048 -5.749 -8.597 162 HA GLU 21 HA GLU 21 9.866 -3.467 -9.853 163 HB2 GLU 21 2HB GLU 21 8.598 -5.791 -8.392 164 HB3 GLU 21 1HB GLU 21 7.720 -4.596 -9.336 165 HG2 GLU 21 2HG GLU 21 8.835 -5.310 -11.352 166 HG3 GLU 21 1HG GLU 21 9.831 -6.439 -10.434 167 H LEU 22 H LEU 22 10.466 -4.476 -6.590 168 HA LEU 22 HA LEU 22 8.604 -2.978 -5.177 169 HB2 LEU 22 2HB LEU 22 10.189 -4.687 -4.254 170 HB3 LEU 22 1HB LEU 22 11.463 -3.488 -4.356 171 HG LEU 22 HG LEU 22 8.996 -2.851 -2.790 172 HD11 LEU 22 1HD1 LEU 22 11.296 -4.526 -1.790 173 HD12 LEU 22 2HD1 LEU 22 9.635 -5.072 -2.019 174 HD13 LEU 22 3HD1 LEU 22 10.001 -3.852 -0.799 175 HD21 LEU 22 3HD2 LEU 22 11.914 -2.121 -2.579 176 HD22 LEU 22 1HD2 LEU 22 10.673 -1.627 -1.427 177 HD23 LEU 22 2HD2 LEU 22 10.589 -1.081 -3.101 178 H LYS 23 H LYS 23 11.863 -2.034 -6.252 179 HA LYS 23 HA LYS 23 11.824 0.557 -5.169 180 HB2 LYS 23 2HB LYS 23 13.313 -0.454 -7.601 181 HB3 LYS 23 1HB LYS 23 13.663 1.037 -6.734 182 HG2 LYS 23 2HG LYS 23 14.195 -0.274 -4.727 183 HG3 LYS 23 1HG LYS 23 13.888 -1.758 -5.633 184 HD2 LYS 23 2HD LYS 23 15.683 -1.158 -7.198 185 HD3 LYS 23 1HD LYS 23 15.997 0.308 -6.266 186 HE2 LYS 23 2HE LYS 23 16.254 -2.528 -5.268 187 HE3 LYS 23 1HE LYS 23 17.585 -1.454 -5.692 188 HZ1 LYS 23 3HZ LYS 23 15.620 -0.984 -3.515 189 HZ2 LYS 23 1HZ LYS 23 16.914 0.030 -3.912 190 HZ3 LYS 23 2HZ LYS 23 17.209 -1.520 -3.304 191 H ARG 24 H ARG 24 10.566 -0.740 -8.169 192 HA ARG 24 HA ARG 24 10.167 1.697 -9.526 193 HB2 ARG 24 2HB ARG 24 8.604 -0.880 -9.775 194 HB3 ARG 24 1HB ARG 24 8.606 0.438 -10.940 195 HG2 ARG 24 2HG ARG 24 10.989 0.074 -11.348 196 HG3 ARG 24 1HG ARG 24 10.981 -1.255 -10.186 197 HD2 ARG 24 2HD ARG 24 9.300 -2.412 -11.580 198 HD3 ARG 24 1HD ARG 24 9.417 -1.107 -12.761 199 HE ARG 24 HE ARG 24 11.982 -1.972 -12.467 200 HH11 ARG 24 1HH1 ARG 24 8.961 -3.510 -13.273 201 HH12 ARG 24 2HH1 ARG 24 9.697 -4.730 -14.257 202 HH21 ARG 24 1HH2 ARG 24 12.957 -3.574 -13.764 203 HH22 ARG 24 2HH2 ARG 24 11.966 -4.766 -14.536 204 H PHE 25 H PHE 25 8.183 -0.082 -7.220 205 HA PHE 25 HA PHE 25 5.794 1.346 -7.535 206 HB2 PHE 25 2HB PHE 25 5.897 -0.748 -6.289 207 HB3 PHE 25 1HB PHE 25 6.911 0.005 -5.063 208 HD1 PHE 25 2HD PHE 25 3.596 0.509 -6.703 209 HD2 PHE 25 1HD PHE 25 5.903 0.728 -3.135 210 HE1 PHE 25 2HE PHE 25 1.583 1.162 -5.446 211 HE2 PHE 25 1HE PHE 25 3.896 1.382 -1.871 212 HZ PHE 25 HZ PHE 25 1.732 1.600 -3.026 213 H LYS 26 H LYS 26 8.349 1.811 -5.083 214 HA LYS 26 HA LYS 26 7.249 4.119 -3.938 215 HB2 LYS 26 2HB LYS 26 9.866 2.755 -3.880 216 HB3 LYS 26 1HB LYS 26 9.899 4.468 -3.482 217 HG2 LYS 26 2HG LYS 26 9.683 3.108 -1.482 218 HG3 LYS 26 1HG LYS 26 8.247 4.103 -1.725 219 HD2 LYS 26 2HD LYS 26 7.572 1.888 -1.054 220 HD3 LYS 26 1HD LYS 26 7.114 2.145 -2.738 221 HE2 LYS 26 2HE LYS 26 9.102 0.909 -3.458 222 HE3 LYS 26 1HE LYS 26 9.548 0.648 -1.774 223 HZ1 LYS 26 3HZ LYS 26 7.102 -0.366 -3.116 224 HZ2 LYS 26 1HZ LYS 26 7.457 -0.564 -1.473 225 HZ3 LYS 26 2HZ LYS 26 8.439 -1.285 -2.645 226 H TYR 27 H TYR 27 9.261 3.687 -6.764 227 HA TYR 27 HA TYR 27 10.032 6.401 -7.062 228 HB2 TYR 27 2HB TYR 27 11.201 4.526 -8.175 229 HB3 TYR 27 1HB TYR 27 9.781 4.253 -9.179 230 HD1 TYR 27 2HD TYR 27 12.568 6.560 -8.485 231 HD2 TYR 27 1HD TYR 27 9.318 5.643 -11.075 232 HE1 TYR 27 2HE TYR 27 13.434 8.169 -10.131 233 HE2 TYR 27 1HE TYR 27 10.175 7.249 -12.728 234 HH TYR 27 HH TYR 27 13.291 8.616 -12.522 235 H PHE 28 H PHE 28 7.239 4.548 -8.077 236 HA PHE 28 HA PHE 28 6.236 6.604 -9.820 237 HB2 PHE 28 2HB PHE 28 5.839 4.028 -9.925 238 HB3 PHE 28 1HB PHE 28 4.559 4.355 -8.761 239 HD1 PHE 28 2HD PHE 28 5.706 4.868 -12.194 240 HD2 PHE 28 1HD PHE 28 2.563 5.535 -9.405 241 HE1 PHE 28 2HE PHE 28 4.206 5.493 -14.041 242 HE2 PHE 28 1HE PHE 28 1.056 6.160 -11.247 243 HZ PHE 28 HZ PHE 28 1.876 6.141 -13.568 244 H ALA 29 H ALA 29 5.096 5.224 -6.725 245 HA ALA 29 HA ALA 29 3.085 7.206 -6.368 246 HB1 ALA 29 1HB ALA 29 2.891 6.271 -4.085 247 HB2 ALA 29 2HB ALA 29 4.299 5.260 -4.415 248 HB3 ALA 29 3HB ALA 29 2.820 5.044 -5.352 249 H LEU 30 H LEU 30 6.232 6.686 -4.762 250 HA LEU 30 HA LEU 30 6.023 9.362 -3.604 251 HB2 LEU 30 2HB LEU 30 8.099 7.226 -3.104 252 HB3 LEU 30 1HB LEU 30 7.930 8.729 -2.221 253 HG LEU 30 HG LEU 30 7.018 7.099 -0.813 254 HD11 LEU 30 1HD1 LEU 30 5.587 9.041 -0.943 255 HD12 LEU 30 2HD1 LEU 30 4.617 7.587 -0.704 256 HD13 LEU 30 3HD1 LEU 30 4.709 8.333 -2.299 257 HD21 LEU 30 3HD2 LEU 30 5.424 5.401 -1.497 258 HD22 LEU 30 1HD2 LEU 30 6.901 5.288 -2.454 259 HD23 LEU 30 2HD2 LEU 30 5.454 6.018 -3.148 260 H THR 31 H THR 31 6.438 10.660 -5.380 261 HA THR 31 HA THR 31 8.930 10.291 -6.845 262 HB THR 31 HB THR 31 8.167 12.121 -8.270 263 HG1 THR 31 1HG THR 31 6.383 12.486 -6.170 264 HG21 THR 31 3HG2 THR 31 5.956 10.138 -7.716 265 HG22 THR 31 1HG2 THR 31 7.356 9.856 -8.753 266 HG23 THR 31 2HG2 THR 31 6.161 11.075 -9.196 267 H GLU 32 H GLU 32 7.344 12.801 -4.894 268 HA GLU 32 HA GLU 32 9.866 14.261 -4.702 269 HB2 GLU 32 2HB GLU 32 7.107 15.019 -3.731 270 HB3 GLU 32 1HB GLU 32 8.525 16.059 -3.718 271 HG2 GLU 32 2HG GLU 32 8.605 16.011 -6.145 272 HG3 GLU 32 1HG GLU 32 7.218 14.924 -6.180 273 H PHE 33 H PHE 33 8.166 11.934 -2.960 274 HA PHE 33 HA PHE 33 8.931 12.883 -0.334 275 HB2 PHE 33 2HB PHE 33 7.772 10.211 -1.150 276 HB3 PHE 33 1HB PHE 33 7.896 10.834 0.493 277 HD1 PHE 33 2HD PHE 33 6.535 12.809 1.159 278 HD2 PHE 33 1HD PHE 33 5.982 10.821 -2.564 279 HE1 PHE 33 2HE PHE 33 4.324 13.864 0.929 280 HE2 PHE 33 1HE PHE 33 3.773 11.877 -2.803 281 HZ PHE 33 HZ PHE 33 2.941 13.399 -1.055 282 H GLN 34 H GLN 34 10.188 10.783 -2.778 283 HA GLN 34 HA GLN 34 11.979 9.355 -2.855 284 HB2 GLN 34 2HB GLN 34 12.939 11.654 -2.941 285 HB3 GLN 34 1HB GLN 34 13.216 11.561 -1.207 286 HG2 GLN 34 2HG GLN 34 15.246 11.094 -2.448 287 HG3 GLN 34 1HG GLN 34 14.724 9.682 -1.531 288 HE21 GLN 34 1HE2 GLN 34 15.138 11.066 -4.686 289 HE22 GLN 34 2HE2 GLN 34 14.917 9.605 -5.582 290 H ILE 35 H ILE 35 10.708 7.886 -1.308 291 HA ILE 35 HA ILE 35 11.445 7.762 1.421 292 HB ILE 35 HB ILE 35 10.147 5.796 -0.441 293 HG12 ILE 35 2HG1 ILE 35 9.255 7.225 2.074 294 HG13 ILE 35 1HG1 ILE 35 8.809 7.654 0.427 295 HG21 ILE 35 1HG2 ILE 35 11.526 4.424 0.997 296 HG22 ILE 35 2HG2 ILE 35 9.837 4.270 1.477 297 HG23 ILE 35 3HG2 ILE 35 10.935 5.274 2.424 298 HD11 ILE 35 3HD1 ILE 35 7.652 5.493 0.212 299 HD12 ILE 35 1HD1 ILE 35 6.993 6.499 1.502 300 HD13 ILE 35 2HD1 ILE 35 8.048 5.139 1.894 301 H ALA 36 H ALA 36 13.036 6.721 2.479 302 HA ALA 36 HA ALA 36 15.447 6.152 1.163 303 HB1 ALA 36 1HB ALA 36 16.246 5.379 3.328 304 HB2 ALA 36 2HB ALA 36 14.590 5.331 3.933 305 HB3 ALA 36 3HB ALA 36 15.324 6.873 3.493 306 H ARG 37 H ARG 37 16.314 4.369 0.327 307 HA ARG 37 HA ARG 37 14.723 2.089 -0.202 308 HB2 ARG 37 2HB ARG 37 16.727 1.173 -1.255 309 HB3 ARG 37 1HB ARG 37 16.496 2.854 -1.717 310 HG2 ARG 37 2HG ARG 37 18.206 3.556 -0.159 311 HG3 ARG 37 1HG ARG 37 18.393 1.899 0.419 312 HD2 ARG 37 2HD ARG 37 20.167 2.402 -1.129 313 HD3 ARG 37 1HD ARG 37 19.077 1.223 -1.857 314 HE ARG 37 HE ARG 37 18.303 3.823 -2.616 315 HH11 ARG 37 1HH1 ARG 37 20.818 1.473 -3.174 316 HH12 ARG 37 2HH1 ARG 37 21.186 2.055 -4.763 317 HH21 ARG 37 1HH2 ARG 37 18.788 4.599 -4.706 318 HH22 ARG 37 2HH2 ARG 37 20.032 3.830 -5.633 319 H SER 38 H SER 38 16.755 2.925 2.436 320 HA SER 38 HA SER 38 17.438 0.274 3.252 321 HB2 SER 38 2HB SER 38 18.804 2.167 3.951 322 HB3 SER 38 1HB SER 38 17.431 2.873 4.805 323 HG SER 38 HG SER 38 18.649 0.376 5.398 324 H THR 39 H THR 39 14.777 2.452 3.907 325 HA THR 39 HA THR 39 13.728 1.029 6.138 326 HB THR 39 HB THR 39 11.718 2.373 5.851 327 HG1 THR 39 1HG THR 39 11.209 3.047 3.921 328 HG21 THR 39 3HG2 THR 39 14.249 3.953 5.388 329 HG22 THR 39 1HG2 THR 39 13.621 3.423 6.948 330 HG23 THR 39 2HG2 THR 39 12.731 4.613 5.997 331 H LEU 40 H LEU 40 13.656 0.465 2.774 332 HA LEU 40 HA LEU 40 11.211 -0.695 2.293 333 HB2 LEU 40 2HB LEU 40 13.882 -1.634 1.257 334 HB3 LEU 40 1HB LEU 40 12.323 -2.013 0.551 335 HG LEU 40 HG LEU 40 13.549 0.741 0.732 336 HD11 LEU 40 1HD1 LEU 40 13.650 0.540 -1.738 337 HD12 LEU 40 2HD1 LEU 40 13.191 -1.155 -1.579 338 HD13 LEU 40 3HD1 LEU 40 14.710 -0.585 -0.890 339 HD21 LEU 40 3HD2 LEU 40 11.162 0.922 0.875 340 HD22 LEU 40 1HD2 LEU 40 10.951 -0.211 -0.459 341 HD23 LEU 40 2HD2 LEU 40 11.659 1.375 -0.755 342 H ASP 41 H ASP 41 13.634 -1.842 4.421 343 HA ASP 41 HA ASP 41 13.180 -4.610 4.320 344 HB2 ASP 41 2HB ASP 41 15.082 -3.568 5.509 345 HB3 ASP 41 1HB ASP 41 13.966 -2.938 6.718 346 H VAL 42 H VAL 42 11.697 -2.102 6.350 347 HA VAL 42 HA VAL 42 9.485 -3.972 6.921 348 HB VAL 42 HB VAL 42 9.149 -2.646 9.036 349 HG11 VAL 42 1HG1 VAL 42 10.159 -4.865 9.066 350 HG12 VAL 42 2HG1 VAL 42 10.913 -3.825 10.274 351 HG13 VAL 42 3HG1 VAL 42 11.746 -4.160 8.755 352 HG21 VAL 42 3HG2 VAL 42 11.900 -1.616 8.361 353 HG22 VAL 42 1HG2 VAL 42 11.073 -1.393 9.902 354 HG23 VAL 42 2HG2 VAL 42 10.414 -0.670 8.434 355 H ALA 43 H ALA 43 10.109 -1.649 4.958 356 HA ALA 43 HA ALA 43 8.504 0.532 5.479 357 HB1 ALA 43 1HB ALA 43 9.047 -0.716 2.802 358 HB2 ALA 43 2HB ALA 43 10.084 0.448 3.632 359 HB3 ALA 43 3HB ALA 43 8.476 0.929 3.087 360 H ASP 44 H ASP 44 7.557 -2.645 4.421 361 HA ASP 44 HA ASP 44 5.093 -2.004 3.282 362 HB2 ASP 44 2HB ASP 44 4.463 -4.348 3.808 363 HB3 ASP 44 1HB ASP 44 6.032 -4.202 3.024 364 H ARG 45 H ARG 45 5.712 -3.034 6.674 365 HA ARG 45 HA ARG 45 2.975 -2.445 7.344 366 HB2 ARG 45 2HB ARG 45 3.766 -3.028 9.699 367 HB3 ARG 45 1HB ARG 45 3.782 -4.295 8.482 368 HG2 ARG 45 2HG ARG 45 6.210 -3.867 8.159 369 HG3 ARG 45 1HG ARG 45 6.141 -2.736 9.511 370 HD2 ARG 45 2HD ARG 45 5.494 -4.479 11.018 371 HD3 ARG 45 1HD ARG 45 5.319 -5.627 9.690 372 HE ARG 45 HE ARG 45 7.919 -4.783 9.559 373 HH11 ARG 45 1HH1 ARG 45 5.914 -6.273 11.987 374 HH12 ARG 45 2HH1 ARG 45 7.227 -7.121 12.734 375 HH21 ARG 45 1HH2 ARG 45 9.651 -5.898 10.531 376 HH22 ARG 45 2HH2 ARG 45 9.350 -6.911 11.903 377 H THR 46 H THR 46 6.039 -1.163 8.666 378 HA THR 46 HA THR 46 4.622 0.917 10.054 379 HB THR 46 HB THR 46 6.372 -0.020 11.275 380 HG1 THR 46 1HG THR 46 6.308 2.227 11.525 381 HG21 THR 46 3HG2 THR 46 8.208 0.600 8.958 382 HG22 THR 46 1HG2 THR 46 7.644 -1.002 9.433 383 HG23 THR 46 2HG2 THR 46 8.700 -0.084 10.506 384 H GLU 47 H GLU 47 7.239 1.071 7.608 385 HA GLU 47 HA GLU 47 7.258 3.904 7.607 386 HB2 GLU 47 2HB GLU 47 8.836 1.817 6.581 387 HB3 GLU 47 1HB GLU 47 8.412 2.851 5.215 388 HG2 GLU 47 2HG GLU 47 10.457 3.648 6.109 389 HG3 GLU 47 1HG GLU 47 9.204 4.807 6.543 390 H LEU 48 H LEU 48 6.288 1.749 4.910 391 HA LEU 48 HA LEU 48 5.365 3.826 3.285 392 HB2 LEU 48 2HB LEU 48 4.774 0.888 3.328 393 HB3 LEU 48 1HB LEU 48 3.976 1.952 2.188 394 HG LEU 48 HG LEU 48 6.967 1.631 2.404 395 HD11 LEU 48 1HD1 LEU 48 6.789 0.377 0.313 396 HD12 LEU 48 2HD1 LEU 48 5.031 0.472 0.406 397 HD13 LEU 48 3HD1 LEU 48 5.932 -0.429 1.626 398 HD21 LEU 48 3HD2 LEU 48 5.255 3.001 0.336 399 HD22 LEU 48 1HD2 LEU 48 7.011 2.850 0.302 400 HD23 LEU 48 2HD2 LEU 48 6.233 3.809 1.559 401 H ALA 49 H ALA 49 3.497 1.643 5.373 402 HA ALA 49 HA ALA 49 0.962 2.593 4.817 403 HB1 ALA 49 1HB ALA 49 1.432 0.612 6.189 404 HB2 ALA 49 2HB ALA 49 0.279 1.702 6.961 405 HB3 ALA 49 3HB ALA 49 1.957 1.663 7.504 406 H ASP 50 H ASP 50 3.089 3.710 7.458 407 HA ASP 50 HA ASP 50 1.343 5.778 8.292 408 HB2 ASP 50 2HB ASP 50 3.032 4.790 9.772 409 HB3 ASP 50 1HB ASP 50 4.310 5.473 8.773 410 H HIS 51 H HIS 51 4.010 5.703 5.996 411 HA HIS 51 HA HIS 51 4.378 8.495 5.795 412 HB2 HIS 51 2HB HIS 51 6.028 6.802 5.034 413 HB3 HIS 51 1HB HIS 51 4.963 6.414 3.687 414 HD1 HIS 51 1HD HIS 51 7.404 8.983 4.867 415 HD2 HIS 51 2HD HIS 51 4.834 8.347 1.664 416 HE1 HIS 51 1HE HIS 51 8.046 10.670 3.093 417 H LEU 52 H LEU 52 2.692 6.283 3.544 418 HA LEU 52 HA LEU 52 1.819 8.155 1.733 419 HB2 LEU 52 2HB LEU 52 -0.106 6.572 1.306 420 HB3 LEU 52 1HB LEU 52 1.511 5.914 1.158 421 HG LEU 52 HG LEU 52 1.061 5.212 3.681 422 HD11 LEU 52 1HD1 LEU 52 -1.252 4.528 4.003 423 HD12 LEU 52 2HD1 LEU 52 -1.696 5.272 2.467 424 HD13 LEU 52 3HD1 LEU 52 -1.131 6.276 3.802 425 HD21 LEU 52 3HD2 LEU 52 0.348 3.028 2.837 426 HD22 LEU 52 1HD2 LEU 52 1.644 3.709 1.851 427 HD23 LEU 52 2HD2 LEU 52 -0.022 3.753 1.272 428 H ILE 53 H ILE 53 0.477 7.455 4.897 429 HA ILE 53 HA ILE 53 -2.028 8.640 4.652 430 HB ILE 53 HB ILE 53 -0.223 8.637 7.075 431 HG12 ILE 53 2HG1 ILE 53 -2.494 6.764 6.392 432 HG13 ILE 53 1HG1 ILE 53 -0.806 6.404 6.046 433 HG21 ILE 53 1HG2 ILE 53 -3.194 9.106 6.847 434 HG22 ILE 53 2HG2 ILE 53 -1.976 10.291 7.317 435 HG23 ILE 53 3HG2 ILE 53 -2.310 8.908 8.360 436 HD11 ILE 53 3HD1 ILE 53 -2.066 6.795 8.745 437 HD12 ILE 53 1HD1 ILE 53 -0.332 6.629 8.474 438 HD13 ILE 53 2HD1 ILE 53 -1.419 5.303 8.064 439 H GLN 54 H GLN 54 1.110 10.130 5.291 440 HA GLN 54 HA GLN 54 0.156 12.715 5.883 441 HB2 GLN 54 2HB GLN 54 2.813 11.799 4.777 442 HB3 GLN 54 1HB GLN 54 2.483 13.442 5.308 443 HG2 GLN 54 2HG GLN 54 2.314 10.989 7.044 444 HG3 GLN 54 1HG GLN 54 3.667 12.118 6.996 445 HE21 GLN 54 1HE2 GLN 54 3.432 14.165 7.891 446 HE22 GLN 54 2HE2 GLN 54 2.138 14.557 8.965 447 H SER 55 H SER 55 0.651 11.048 2.874 448 HA SER 55 HA SER 55 0.835 13.325 1.196 449 HB2 SER 55 2HB SER 55 1.589 11.124 0.453 450 HB3 SER 55 1HB SER 55 -0.062 10.510 0.547 451 HG SER 55 HG SER 55 -0.218 12.629 -0.948 452 H ALA 56 H ALA 56 -1.916 11.090 1.712 453 HA ALA 56 HA ALA 56 -3.701 13.335 1.023 454 HB1 ALA 56 1HB ALA 56 -3.643 11.697 -0.785 455 HB2 ALA 56 2HB ALA 56 -5.230 11.745 -0.016 456 HB3 ALA 56 3HB ALA 56 -4.114 10.427 0.344 457 H GLY 57 H GLY 57 -3.209 10.452 2.965 458 HA2 GLY 57 2HA GLY 57 -4.138 11.090 5.335 459 HA3 GLY 57 1HA GLY 57 -5.666 10.973 4.472 460 H ALA 58 H ALA 58 -5.743 9.324 6.399 461 HA ALA 58 HA ALA 58 -4.365 6.865 6.089 462 HB1 ALA 58 1HB ALA 58 -6.931 7.434 7.567 463 HB2 ALA 58 2HB ALA 58 -5.304 7.581 8.229 464 HB3 ALA 58 3HB ALA 58 -5.923 6.000 7.754 465 H ALA 59 H ALA 59 -7.879 7.388 5.776 466 HA ALA 59 HA ALA 59 -8.257 5.037 4.233 467 HB1 ALA 59 1HB ALA 59 -10.023 5.948 5.632 468 HB2 ALA 59 2HB ALA 59 -10.554 5.832 3.953 469 HB3 ALA 59 3HB ALA 59 -10.093 7.395 4.627 470 H SER 60 H SER 60 -7.733 8.399 3.409 471 HA SER 60 HA SER 60 -8.587 8.281 0.721 472 HB2 SER 60 2HB SER 60 -8.341 10.399 1.909 473 HB3 SER 60 1HB SER 60 -6.600 10.145 2.033 474 HG SER 60 HG SER 60 -7.915 11.300 0.071 475 H ALA 61 H ALA 61 -5.334 7.974 2.144 476 HA ALA 61 HA ALA 61 -4.050 7.659 -0.378 477 HB1 ALA 61 1HB ALA 61 -2.881 8.526 1.583 478 HB2 ALA 61 2HB ALA 61 -2.060 7.123 0.899 479 HB3 ALA 61 3HB ALA 61 -3.028 6.952 2.363 480 H VAL 62 H VAL 62 -4.997 5.333 2.146 481 HA VAL 62 HA VAL 62 -3.852 3.062 0.999 482 HB VAL 62 HB VAL 62 -6.322 3.266 2.723 483 HG11 VAL 62 1HG1 VAL 62 -5.946 0.894 3.232 484 HG12 VAL 62 2HG1 VAL 62 -4.651 0.849 2.036 485 HG13 VAL 62 3HG1 VAL 62 -6.313 1.147 1.525 486 HG21 VAL 62 3HG2 VAL 62 -4.835 2.705 4.551 487 HG22 VAL 62 1HG2 VAL 62 -4.243 4.144 3.721 488 HG23 VAL 62 2HG2 VAL 62 -3.472 2.584 3.438 489 H THR 63 H THR 63 -6.888 4.669 0.256 490 HA THR 63 HA THR 63 -7.967 2.516 -1.274 491 HB THR 63 HB THR 63 -9.513 4.283 -2.201 492 HG1 THR 63 1HG THR 63 -7.720 5.867 -0.794 493 HG21 THR 63 3HG2 THR 63 -9.259 4.019 0.795 494 HG22 THR 63 1HG2 THR 63 -10.165 2.959 -0.284 495 HG23 THR 63 2HG2 THR 63 -10.685 4.628 -0.045 496 H LYS 64 H LYS 64 -6.532 5.638 -2.260 497 HA LYS 64 HA LYS 64 -6.550 5.032 -5.023 498 HB2 LYS 64 2HB LYS 64 -5.027 6.969 -5.245 499 HB3 LYS 64 1HB LYS 64 -6.447 7.328 -4.276 500 HG2 LYS 64 2HG LYS 64 -4.834 8.313 -3.008 501 HG3 LYS 64 1HG LYS 64 -4.848 6.702 -2.287 502 HD2 LYS 64 2HD LYS 64 -2.944 6.061 -3.687 503 HD3 LYS 64 1HD LYS 64 -2.938 7.667 -4.418 504 HE2 LYS 64 2HE LYS 64 -2.456 8.664 -2.248 505 HE3 LYS 64 1HE LYS 64 -2.505 7.072 -1.493 506 HZ1 LYS 64 3HZ LYS 64 -0.237 7.783 -1.920 507 HZ2 LYS 64 1HZ LYS 64 -0.568 7.934 -3.573 508 HZ3 LYS 64 2HZ LYS 64 -0.611 6.412 -2.836 509 H ALA 65 H ALA 65 -4.407 4.169 -2.467 510 HA ALA 65 HA ALA 65 -2.022 3.765 -3.869 511 HB1 ALA 65 1HB ALA 65 -2.172 3.721 -1.429 512 HB2 ALA 65 2HB ALA 65 -1.397 2.264 -2.055 513 HB3 ALA 65 3HB ALA 65 -3.074 2.207 -1.512 514 H ILE 66 H ILE 66 -4.919 1.820 -3.655 515 HA ILE 66 HA ILE 66 -3.880 -0.610 -4.625 516 HB ILE 66 HB ILE 66 -6.665 0.540 -4.747 517 HG12 ILE 66 2HG1 ILE 66 -5.743 -0.003 -2.505 518 HG13 ILE 66 1HG1 ILE 66 -7.133 -0.994 -2.929 519 HG21 ILE 66 1HG2 ILE 66 -6.515 -0.995 -6.572 520 HG22 ILE 66 2HG2 ILE 66 -7.398 -1.787 -5.267 521 HG23 ILE 66 3HG2 ILE 66 -5.709 -2.197 -5.565 522 HD11 ILE 66 3HD1 ILE 66 -4.251 -1.848 -3.092 523 HD12 ILE 66 1HD1 ILE 66 -5.652 -2.843 -3.492 524 HD13 ILE 66 2HD1 ILE 66 -5.400 -2.300 -1.834 525 H ASN 67 H ASN 67 -5.325 2.157 -6.303 526 HA ASN 67 HA ASN 67 -5.350 1.020 -8.879 527 HB2 ASN 67 2HB ASN 67 -5.274 3.901 -7.976 528 HB3 ASN 67 1HB ASN 67 -5.505 3.407 -9.651 529 HD21 ASN 67 1HD2 ASN 67 -7.432 2.458 -10.268 530 HD22 ASN 67 2HD2 ASN 67 -8.844 2.497 -9.273 531 H ILE 68 H ILE 68 -2.867 2.817 -7.137 532 HA ILE 68 HA ILE 68 -1.152 3.146 -9.398 533 HB ILE 68 HB ILE 68 -0.446 3.275 -6.464 534 HG12 ILE 68 2HG1 ILE 68 -1.174 5.525 -8.351 535 HG13 ILE 68 1HG1 ILE 68 -2.271 4.832 -7.162 536 HG21 ILE 68 1HG2 ILE 68 1.447 4.646 -7.211 537 HG22 ILE 68 2HG2 ILE 68 0.982 4.362 -8.888 538 HG23 ILE 68 3HG2 ILE 68 1.512 3.016 -7.879 539 HD11 ILE 68 3HD1 ILE 68 -0.765 5.542 -5.371 540 HD12 ILE 68 1HD1 ILE 68 -1.309 6.901 -6.354 541 HD13 ILE 68 2HD1 ILE 68 0.316 6.251 -6.571 542 H PHE 69 H PHE 69 -1.054 0.992 -6.573 543 HA PHE 69 HA PHE 69 1.268 -0.400 -7.285 544 HB2 PHE 69 2HB PHE 69 0.420 -0.485 -5.032 545 HB3 PHE 69 1HB PHE 69 -1.078 -1.231 -5.576 546 HD1 PHE 69 1HD PHE 69 2.587 -1.787 -5.384 547 HD2 PHE 69 2HD PHE 69 -1.279 -3.543 -5.665 548 HE1 PHE 69 1HE PHE 69 3.578 -4.013 -5.043 549 HE2 PHE 69 2HE PHE 69 -0.296 -5.772 -5.324 550 HZ PHE 69 HZ PHE 69 2.135 -6.008 -5.012 551 H GLN 70 H GLN 70 -2.130 -1.073 -8.041 552 HA GLN 70 HA GLN 70 -1.668 -3.642 -9.116 553 HB2 GLN 70 2HB GLN 70 -3.924 -3.552 -9.946 554 HB3 GLN 70 1HB GLN 70 -3.879 -2.843 -8.342 555 HG2 GLN 70 2HG GLN 70 -3.895 -0.602 -9.366 556 HG3 GLN 70 1HG GLN 70 -4.024 -1.357 -10.953 557 HE21 GLN 70 1HE2 GLN 70 -5.934 -2.378 -11.545 558 HE22 GLN 70 2HE2 GLN 70 -7.418 -2.105 -10.704 559 H LYS 71 H LYS 71 -2.321 -0.583 -10.834 560 HA LYS 71 HA LYS 71 -1.899 -1.656 -13.400 561 HB2 LYS 71 2HB LYS 71 -3.170 0.428 -12.832 562 HB3 LYS 71 1HB LYS 71 -1.628 1.232 -12.577 563 HG2 LYS 71 2HG LYS 71 -1.020 0.878 -14.889 564 HG3 LYS 71 1HG LYS 71 -2.507 -0.031 -15.165 565 HD2 LYS 71 2HD LYS 71 -2.399 2.858 -14.301 566 HD3 LYS 71 1HD LYS 71 -2.612 2.320 -15.968 567 HE2 LYS 71 2HE LYS 71 -4.654 1.101 -15.260 568 HE3 LYS 71 1HE LYS 71 -4.458 1.778 -13.644 569 HZ1 LYS 71 3HZ LYS 71 -4.913 3.312 -16.146 570 HZ2 LYS 71 1HZ LYS 71 -4.643 4.003 -14.626 571 HZ3 LYS 71 2HZ LYS 71 -6.030 3.075 -14.900 572 H LEU 72 H LEU 72 0.401 -1.080 -11.011 573 HA LEU 72 HA LEU 72 2.469 -0.289 -12.933 574 HB2 LEU 72 2HB LEU 72 2.023 0.011 -10.094 575 HB3 LEU 72 1HB LEU 72 3.630 -0.589 -10.434 576 HG LEU 72 HG LEU 72 3.603 1.835 -10.239 577 HD11 LEU 72 1HD1 LEU 72 4.759 2.375 -12.316 578 HD12 LEU 72 2HD1 LEU 72 4.115 0.913 -13.061 579 HD13 LEU 72 3HD1 LEU 72 5.244 0.790 -11.713 580 HD21 LEU 72 3HD2 LEU 72 2.480 3.202 -11.957 581 HD22 LEU 72 1HD2 LEU 72 1.344 2.303 -10.952 582 HD23 LEU 72 2HD2 LEU 72 1.712 1.744 -12.583 583 H ASN 73 H ASN 73 1.831 -2.945 -10.615 584 HA ASN 73 HA ASN 73 4.019 -4.388 -11.966 585 HB2 ASN 73 2HB ASN 73 3.284 -4.701 -9.061 586 HB3 ASN 73 1HB ASN 73 4.662 -5.412 -9.895 587 HD21 ASN 73 1HD2 ASN 73 3.314 -2.532 -8.524 588 HD22 ASN 73 2HD2 ASN 73 4.763 -1.590 -8.555 589 H TYR 74 H TYR 74 1.083 -4.961 -10.025 590 HA TYR 74 HA TYR 74 0.594 -7.345 -11.664 591 HB2 TYR 74 2HB TYR 74 0.687 -7.330 -8.653 592 HB3 TYR 74 1HB TYR 74 -0.007 -8.638 -9.605 593 HD1 TYR 74 2HD TYR 74 1.507 -9.850 -11.252 594 HD2 TYR 74 1HD TYR 74 2.994 -7.251 -8.231 595 HE1 TYR 74 2HE TYR 74 3.726 -10.886 -11.464 596 HE2 TYR 74 1HE TYR 74 5.220 -8.278 -8.434 597 HH TYR 74 HH TYR 74 6.069 -10.326 -11.009 598 H MET 75 H MET 75 -0.930 -5.459 -12.378 599 HA MET 75 HA MET 75 -3.115 -4.643 -10.906 600 HB2 MET 75 2HB MET 75 -4.257 -4.277 -13.049 601 HB3 MET 75 1HB MET 75 -2.588 -3.723 -13.097 602 HG2 MET 75 2HG MET 75 -1.915 -5.628 -14.361 603 HG3 MET 75 1HG MET 75 -3.488 -6.393 -14.145 604 HE1 MET 75 3HE MET 75 -2.798 -2.614 -16.708 605 HE2 MET 75 1HE MET 75 -1.539 -3.415 -15.767 606 HE3 MET 75 2HE MET 75 -2.848 -2.566 -14.945 607 H HIS 76 H HIS 76 -2.410 -7.820 -11.829 608 HA HIS 76 HA HIS 76 -5.132 -8.730 -12.070 609 HB2 HIS 76 2HB HIS 76 -3.265 -9.808 -13.288 610 HB3 HIS 76 1HB HIS 76 -2.592 -10.338 -11.750 611 HD1 HIS 76 1HD HIS 76 -3.304 -12.627 -11.031 612 HD2 HIS 76 2HD HIS 76 -5.966 -10.918 -13.724 613 HE1 HIS 76 1HE HIS 76 -5.037 -14.398 -11.537 614 H ILE 77 H ILE 77 -2.550 -9.207 -9.634 615 HA ILE 77 HA ILE 77 -4.268 -10.608 -7.839 616 HB ILE 77 HB ILE 77 -1.844 -10.961 -7.811 617 HG12 ILE 77 2HG1 ILE 77 -2.603 -9.758 -5.158 618 HG13 ILE 77 1HG1 ILE 77 -3.361 -11.235 -5.745 619 HG21 ILE 77 1HG2 ILE 77 -1.583 -8.246 -6.545 620 HG22 ILE 77 2HG2 ILE 77 -1.286 -8.552 -8.255 621 HG23 ILE 77 3HG2 ILE 77 -0.294 -9.347 -7.034 622 HD11 ILE 77 3HD1 ILE 77 -1.172 -12.309 -5.853 623 HD12 ILE 77 1HD1 ILE 77 -1.532 -11.722 -4.229 624 HD13 ILE 77 2HD1 ILE 77 -0.420 -10.827 -5.263 625 H ALA 78 H ALA 78 -3.003 -7.285 -7.881 626 HA ALA 78 HA ALA 78 -4.116 -6.431 -5.466 627 HB1 ALA 78 1HB ALA 78 -3.505 -4.844 -7.952 628 HB2 ALA 78 2HB ALA 78 -2.414 -5.151 -6.601 629 HB3 ALA 78 3HB ALA 78 -3.849 -4.152 -6.368 630 H ASN 79 H ASN 79 -5.542 -6.778 -8.638 631 HA ASN 79 HA ASN 79 -7.774 -5.163 -8.436 632 HB2 ASN 79 2HB ASN 79 -7.149 -6.378 -10.480 633 HB3 ASN 79 1HB ASN 79 -7.608 -7.897 -9.717 634 HD21 ASN 79 1HD2 ASN 79 -9.157 -8.346 -11.264 635 HD22 ASN 79 2HD2 ASN 79 -10.653 -7.487 -11.355 636 H ALA 80 H ALA 80 -7.379 -8.504 -7.298 637 HA ALA 80 HA ALA 80 -10.033 -8.714 -6.276 638 HB1 ALA 80 1HB ALA 80 -7.601 -10.374 -5.625 639 HB2 ALA 80 2HB ALA 80 -8.728 -10.675 -6.947 640 HB3 ALA 80 3HB ALA 80 -9.277 -10.798 -5.276 641 H LEU 81 H LEU 81 -6.969 -7.679 -4.952 642 HA LEU 81 HA LEU 81 -7.547 -7.857 -2.222 643 HB2 LEU 81 2HB LEU 81 -5.301 -7.508 -3.012 644 HB3 LEU 81 1HB LEU 81 -5.743 -5.970 -3.724 645 HG LEU 81 HG LEU 81 -6.209 -5.109 -1.420 646 HD11 LEU 81 1HD1 LEU 81 -4.894 -7.686 -0.575 647 HD12 LEU 81 2HD1 LEU 81 -6.589 -7.266 -0.331 648 HD13 LEU 81 3HD1 LEU 81 -5.327 -6.343 0.482 649 HD21 LEU 81 3HD2 LEU 81 -4.115 -4.616 -2.552 650 HD22 LEU 81 1HD2 LEU 81 -3.421 -6.126 -1.960 651 HD23 LEU 81 2HD2 LEU 81 -3.847 -4.845 -0.823 652 H GLU 82 H GLU 82 -8.360 -5.340 -4.557 653 HA GLU 82 HA GLU 82 -9.020 -3.294 -2.776 654 HB2 GLU 82 2HB GLU 82 -10.061 -2.212 -4.563 655 HB3 GLU 82 1HB GLU 82 -8.853 -3.226 -5.339 656 HG2 GLU 82 2HG GLU 82 -10.626 -4.903 -5.778 657 HG3 GLU 82 1HG GLU 82 -11.803 -3.765 -5.129 658 H GLU 83 H GLU 83 -10.746 -6.199 -3.563 659 HA GLU 83 HA GLU 83 -13.349 -5.470 -2.866 660 HB2 GLU 83 2HB GLU 83 -11.848 -8.046 -2.932 661 HB3 GLU 83 1HB GLU 83 -13.413 -8.014 -2.135 662 HG2 GLU 83 2HG GLU 83 -13.496 -8.722 -4.506 663 HG3 GLU 83 1HG GLU 83 -14.502 -7.322 -4.140 664 H LYS 84 H LYS 84 -10.604 -6.312 -0.865 665 HA LYS 84 HA LYS 84 -11.816 -6.866 1.552 666 HB2 LYS 84 2HB LYS 84 -9.397 -7.057 1.132 667 HB3 LYS 84 1HB LYS 84 -9.268 -5.304 1.104 668 HG2 LYS 84 2HG LYS 84 -8.523 -6.167 3.232 669 HG3 LYS 84 1HG LYS 84 -9.997 -5.220 3.444 670 HD2 LYS 84 2HD LYS 84 -10.203 -7.189 4.778 671 HD3 LYS 84 1HD LYS 84 -11.282 -7.370 3.393 672 HE2 LYS 84 2HE LYS 84 -9.469 -8.686 2.271 673 HE3 LYS 84 1HE LYS 84 -8.576 -8.636 3.790 674 HZ1 LYS 84 3HZ LYS 84 -11.247 -9.856 3.358 675 HZ2 LYS 84 1HZ LYS 84 -10.472 -9.741 4.857 676 HZ3 LYS 84 2HZ LYS 84 -9.796 -10.682 3.627 677 H LYS 85 H LYS 85 -11.422 -3.786 -0.046 678 HA LYS 85 HA LYS 85 -11.777 -2.039 2.089 679 HB2 LYS 85 2HB LYS 85 -11.156 -1.300 -0.166 680 HB3 LYS 85 1HB LYS 85 -12.758 -1.722 -0.754 681 HG2 LYS 85 2HG LYS 85 -13.750 -0.028 0.684 682 HG3 LYS 85 1HG LYS 85 -12.154 0.381 1.316 683 HD2 LYS 85 2HD LYS 85 -11.439 1.043 -0.934 684 HD3 LYS 85 1HD LYS 85 -13.041 0.642 -1.558 685 HE2 LYS 85 2HE LYS 85 -14.036 2.347 -0.127 686 HE3 LYS 85 1HE LYS 85 -12.449 2.731 0.537 687 HZ1 LYS 85 3HZ LYS 85 -13.281 3.069 -2.294 688 HZ2 LYS 85 1HZ LYS 85 -11.738 3.404 -1.684 689 HZ3 LYS 85 2HZ LYS 85 -13.068 4.310 -1.164 690 H LYS 86 H LYS 86 -14.134 -3.900 0.277 691 HA LYS 86 HA LYS 86 -16.489 -2.654 1.048 692 HB2 LYS 86 2HB LYS 86 -16.375 -4.450 -0.625 693 HB3 LYS 86 1HB LYS 86 -16.004 -5.610 0.642 694 HG2 LYS 86 2HG LYS 86 -18.318 -5.804 0.038 695 HG3 LYS 86 1HG LYS 86 -18.199 -5.142 1.669 696 HD2 LYS 86 2HD LYS 86 -19.888 -3.925 0.469 697 HD3 LYS 86 1HD LYS 86 -18.496 -2.868 0.703 698 HE2 LYS 86 2HE LYS 86 -19.403 -2.666 -1.559 699 HE3 LYS 86 1HE LYS 86 -17.759 -3.304 -1.576 700 HZ1 LYS 86 3HZ LYS 86 -18.672 -5.530 -1.851 701 HZ2 LYS 86 1HZ LYS 86 -19.186 -4.511 -3.101 702 HZ3 LYS 86 2HZ LYS 86 -20.246 -4.909 -1.845 703 H GLU 87 H GLU 87 -14.654 -5.185 2.719 704 HA GLU 87 HA GLU 87 -16.485 -5.322 4.923 705 HB2 GLU 87 2HB GLU 87 -14.970 -7.195 4.103 706 HB3 GLU 87 1HB GLU 87 -13.643 -6.337 4.874 707 HG2 GLU 87 2HG GLU 87 -14.399 -8.043 6.352 708 HG3 GLU 87 1HG GLU 87 -14.870 -6.482 7.023 709 H ALA 88 H ALA 88 -13.616 -3.529 4.150 710 HA ALA 88 HA ALA 88 -12.796 -2.746 6.709 711 HB1 ALA 88 1HB ALA 88 -12.558 -1.193 4.138 712 HB2 ALA 88 2HB ALA 88 -11.445 -2.448 4.685 713 HB3 ALA 88 3HB ALA 88 -11.605 -0.949 5.601 714 H GLU 89 H GLU 89 -15.425 -1.626 4.722 715 HA GLU 89 HA GLU 89 -15.876 0.922 5.658 716 HB2 GLU 89 2HB GLU 89 -17.937 -1.184 4.990 717 HB3 GLU 89 1HB GLU 89 -18.264 0.538 5.134 718 HG2 GLU 89 2HG GLU 89 -16.677 0.953 3.286 719 HG3 GLU 89 1HG GLU 89 -16.474 -0.790 3.110 720 H ARG 90 H ARG 90 -16.995 -2.121 7.147 721 HA ARG 90 HA ARG 90 -18.316 -0.779 9.299 722 HB2 ARG 90 2HB ARG 90 -18.570 -2.999 10.286 723 HB3 ARG 90 1HB ARG 90 -19.008 -3.016 8.583 724 HG2 ARG 90 2HG ARG 90 -17.020 -4.135 7.984 725 HG3 ARG 90 1HG ARG 90 -16.297 -3.860 9.571 726 HD2 ARG 90 2HD ARG 90 -17.992 -5.302 10.586 727 HD3 ARG 90 1HD ARG 90 -18.715 -5.573 9.001 728 HE ARG 90 HE ARG 90 -16.061 -6.315 8.786 729 HH11 ARG 90 1HH1 ARG 90 -18.840 -7.280 10.652 730 HH12 ARG 90 2HH1 ARG 90 -18.334 -8.931 10.793 731 HH21 ARG 90 1HH2 ARG 90 -15.388 -8.489 8.962 732 HH22 ARG 90 2HH2 ARG 90 -16.373 -9.618 9.831 733 H LYS 91 H LYS 91 -15.072 -1.700 8.675 734 HA LYS 91 HA LYS 91 -14.230 -1.849 11.412 735 HB2 LYS 91 2HB LYS 91 -12.577 -1.482 8.909 736 HB3 LYS 91 1HB LYS 91 -11.964 -1.930 10.495 737 HG2 LYS 91 2HG LYS 91 -13.234 -4.013 10.403 738 HG3 LYS 91 1HG LYS 91 -13.865 -3.561 8.818 739 HD2 LYS 91 2HD LYS 91 -12.054 -5.076 8.472 740 HD3 LYS 91 1HD LYS 91 -11.499 -3.469 8.002 741 HE2 LYS 91 2HE LYS 91 -10.347 -3.219 10.122 742 HE3 LYS 91 1HE LYS 91 -10.959 -4.782 10.663 743 HZ1 LYS 91 3HZ LYS 91 -9.723 -5.842 8.879 744 HZ2 LYS 91 1HZ LYS 91 -8.686 -4.949 9.875 745 HZ3 LYS 91 2HZ LYS 91 -9.135 -4.343 8.362 746 H LEU 92 H LEU 92 -14.987 0.691 9.320 747 HA LEU 92 HA LEU 92 -13.287 2.589 10.778 748 HB2 LEU 92 2HB LEU 92 -14.644 2.642 8.119 749 HB3 LEU 92 1HB LEU 92 -14.315 4.160 8.931 750 HG LEU 92 HG LEU 92 -11.909 3.566 9.008 751 HD11 LEU 92 1HD1 LEU 92 -12.160 1.129 8.943 752 HD12 LEU 92 2HD1 LEU 92 -11.077 1.716 7.680 753 HD13 LEU 92 3HD1 LEU 92 -12.726 1.241 7.275 754 HD21 LEU 92 3HD2 LEU 92 -12.773 4.967 7.217 755 HD22 LEU 92 1HD2 LEU 92 -13.165 3.533 6.267 756 HD23 LEU 92 2HD2 LEU 92 -11.482 3.922 6.624 757 H MET 93 H MET 93 -16.093 1.249 11.348 758 HA MET 93 HA MET 93 -17.518 3.734 12.004 759 HB2 MET 93 2HB MET 93 -18.547 0.893 11.894 760 HB3 MET 93 1HB MET 93 -19.512 2.313 12.272 761 HG2 MET 93 2HG MET 93 -18.110 1.771 9.665 762 HG3 MET 93 1HG MET 93 -19.837 1.595 9.971 763 HE1 MET 93 3HE MET 93 -20.302 3.127 7.831 764 HE2 MET 93 1HE MET 93 -18.569 3.329 7.572 765 HE3 MET 93 2HE MET 93 -19.626 4.742 7.621 766 H THR 94 H THR 94 -15.612 1.329 13.383 767 HA THR 94 HA THR 94 -16.858 1.174 15.951 768 HB THR 94 HB THR 94 -14.774 0.105 16.700 769 HG1 THR 94 1HG THR 94 -12.975 0.354 15.609 770 HG21 THR 94 3HG2 THR 94 -15.639 -0.898 13.986 771 HG22 THR 94 1HG2 THR 94 -16.486 -1.216 15.500 772 HG23 THR 94 2HG2 THR 94 -14.855 -1.840 15.253 773 H ASN 95 H ASN 95 -16.578 2.408 17.718 774 HA ASN 95 HA ASN 95 -15.002 4.839 17.418 775 HB2 ASN 95 2HB ASN 95 -16.188 5.585 19.470 776 HB3 ASN 95 1HB ASN 95 -17.285 5.138 18.168 777 HD21 ASN 95 1HD2 ASN 95 -17.767 5.286 21.025 778 HD22 ASN 95 2HD2 ASN 95 -18.298 3.715 21.510 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -9.735 -2.906 13.567 2 H2 MET 1 2HT MET 1 -8.407 -3.094 12.536 3 H3 MET 1 3HT MET 1 -9.916 -2.669 11.901 4 HA MET 1 HA MET 1 -9.857 -0.561 13.037 5 HB2 MET 1 2HB MET 1 -7.078 -1.396 13.891 6 HB3 MET 1 1HB MET 1 -7.854 0.143 14.233 7 HG2 MET 1 2HG MET 1 -9.552 -1.032 15.566 8 HG3 MET 1 1HG MET 1 -8.711 -2.551 15.262 9 HE1 MET 1 2HE MET 1 -8.455 -3.058 17.918 10 HE2 MET 1 3HE MET 1 -9.456 -1.619 18.115 11 HE3 MET 1 1HE MET 1 -7.973 -1.796 19.054 12 H GLU 2 H GLU 2 -8.416 1.312 12.315 13 HA GLU 2 HA GLU 2 -7.997 1.114 9.541 14 HB2 GLU 2 2HB GLU 2 -8.553 3.236 10.539 15 HB3 GLU 2 1HB GLU 2 -7.105 3.199 11.537 16 HG2 GLU 2 2HG GLU 2 -6.866 4.739 9.672 17 HG3 GLU 2 1HG GLU 2 -5.711 3.412 9.561 18 H SER 3 H SER 3 -5.828 0.814 12.282 19 HA SER 3 HA SER 3 -3.382 1.011 10.920 20 HB2 SER 3 2HB SER 3 -3.521 1.102 13.361 21 HB3 SER 3 1HB SER 3 -4.054 -0.578 13.408 22 HG SER 3 HG SER 3 -1.706 -0.151 12.032 23 H GLU 4 H GLU 4 -5.494 -1.757 11.532 24 HA GLU 4 HA GLU 4 -3.697 -3.651 10.357 25 HB2 GLU 4 2HB GLU 4 -6.650 -3.893 10.956 26 HB3 GLU 4 1HB GLU 4 -5.582 -5.223 10.530 27 HG2 GLU 4 2HG GLU 4 -4.245 -4.711 12.567 28 HG3 GLU 4 1HG GLU 4 -5.475 -3.528 13.012 29 H TYR 5 H TYR 5 -6.286 -1.623 9.209 30 HA TYR 5 HA TYR 5 -6.723 -2.990 6.751 31 HB2 TYR 5 2HB TYR 5 -8.448 -1.551 7.633 32 HB3 TYR 5 1HB TYR 5 -7.362 -0.166 7.615 33 HD1 TYR 5 1HD TYR 5 -8.624 -2.735 5.197 34 HD2 TYR 5 2HD TYR 5 -7.690 1.353 5.922 35 HE1 TYR 5 1HE TYR 5 -9.404 -2.161 2.935 36 HE2 TYR 5 2HE TYR 5 -8.466 1.937 3.664 37 HH TYR 5 HH TYR 5 -8.775 0.826 1.477 38 H ARG 6 H ARG 6 -4.586 -0.379 7.755 39 HA ARG 6 HA ARG 6 -3.719 0.168 5.057 40 HB2 ARG 6 2HB ARG 6 -2.136 1.731 6.126 41 HB3 ARG 6 1HB ARG 6 -3.794 1.996 6.644 42 HG2 ARG 6 2HG ARG 6 -3.340 0.797 8.724 43 HG3 ARG 6 1HG ARG 6 -1.676 0.529 8.203 44 HD2 ARG 6 2HD ARG 6 -1.329 2.961 8.119 45 HD3 ARG 6 1HD ARG 6 -2.981 3.206 8.682 46 HE ARG 6 HE ARG 6 -2.340 2.233 10.787 47 HH11 ARG 6 1HH1 ARG 6 0.287 2.972 8.615 48 HH12 ARG 6 2HH1 ARG 6 1.479 3.023 9.872 49 HH21 ARG 6 1HH2 ARG 6 -0.777 2.301 12.443 50 HH22 ARG 6 2HH2 ARG 6 0.874 2.640 12.045 51 H GLU 7 H GLU 7 -2.298 -1.327 7.944 52 HA GLU 7 HA GLU 7 0.227 -1.878 6.853 53 HB2 GLU 7 2HB GLU 7 -0.232 -1.943 9.254 54 HB3 GLU 7 1HB GLU 7 -1.280 -3.337 9.025 55 HG2 GLU 7 2HG GLU 7 0.630 -4.651 8.259 56 HG3 GLU 7 1HG GLU 7 1.681 -3.253 8.486 57 H MET 8 H MET 8 -2.640 -3.973 7.135 58 HA MET 8 HA MET 8 -1.455 -6.222 5.912 59 HB2 MET 8 2HB MET 8 -3.463 -6.344 7.328 60 HB3 MET 8 1HB MET 8 -4.380 -5.485 6.099 61 HG2 MET 8 2HG MET 8 -4.853 -7.838 5.978 62 HG3 MET 8 1HG MET 8 -3.979 -7.331 4.532 63 HE1 MET 8 3HE MET 8 -3.507 -9.903 3.992 64 HE2 MET 8 1HE MET 8 -4.343 -10.391 5.466 65 HE3 MET 8 2HE MET 8 -2.728 -11.010 5.123 66 H LEU 9 H LEU 9 -3.622 -3.726 4.580 67 HA LEU 9 HA LEU 9 -3.822 -4.791 2.005 68 HB2 LEU 9 2HB LEU 9 -5.188 -2.917 3.021 69 HB3 LEU 9 1HB LEU 9 -3.855 -1.849 2.624 70 HG LEU 9 HG LEU 9 -4.117 -2.507 0.226 71 HD11 LEU 9 1HD1 LEU 9 -6.613 -3.850 1.251 72 HD12 LEU 9 2HD1 LEU 9 -5.209 -4.649 0.543 73 HD13 LEU 9 3HD1 LEU 9 -6.211 -3.588 -0.447 74 HD21 LEU 9 3HD2 LEU 9 -6.215 -1.210 -0.118 75 HD22 LEU 9 1HD2 LEU 9 -5.054 -0.431 0.956 76 HD23 LEU 9 2HD2 LEU 9 -6.466 -1.245 1.627 77 H LEU 10 H LEU 10 -1.309 -2.824 3.448 78 HA LEU 10 HA LEU 10 -0.039 -2.261 0.926 79 HB2 LEU 10 2HB LEU 10 0.436 -1.588 3.762 80 HB3 LEU 10 1HB LEU 10 1.862 -1.665 2.747 81 HG LEU 10 HG LEU 10 0.993 0.617 2.914 82 HD11 LEU 10 1HD1 LEU 10 0.645 -0.573 0.166 83 HD12 LEU 10 2HD1 LEU 10 2.172 -0.066 0.887 84 HD13 LEU 10 3HD1 LEU 10 0.924 1.129 0.533 85 HD21 LEU 10 3HD2 LEU 10 -1.153 1.169 1.788 86 HD22 LEU 10 1HD2 LEU 10 -1.346 0.208 3.254 87 HD23 LEU 10 2HD2 LEU 10 -1.491 -0.558 1.672 88 H LEU 11 H LEU 11 0.877 -4.218 3.772 89 HA LEU 11 HA LEU 11 3.216 -5.276 2.675 90 HB2 LEU 11 2HB LEU 11 3.342 -6.620 4.527 91 HB3 LEU 11 1HB LEU 11 2.288 -5.345 5.098 92 HG LEU 11 HG LEU 11 0.410 -7.050 4.261 93 HD11 LEU 11 1HD1 LEU 11 1.044 -9.344 4.788 94 HD12 LEU 11 2HD1 LEU 11 2.709 -8.830 5.066 95 HD13 LEU 11 3HD1 LEU 11 2.008 -8.715 3.452 96 HD21 LEU 11 3HD2 LEU 11 1.885 -7.247 6.882 97 HD22 LEU 11 1HD2 LEU 11 0.250 -7.832 6.571 98 HD23 LEU 11 2HD2 LEU 11 0.598 -6.104 6.497 99 H THR 12 H THR 12 -0.106 -6.181 2.157 100 HA THR 12 HA THR 12 0.310 -8.804 1.215 101 HB THR 12 HB THR 12 -1.863 -8.338 -0.108 102 HG1 THR 12 1HG THR 12 -1.811 -6.084 -0.083 103 HG21 THR 12 3HG2 THR 12 -1.848 -9.606 1.948 104 HG22 THR 12 1HG2 THR 12 -3.208 -8.484 1.972 105 HG23 THR 12 2HG2 THR 12 -1.752 -8.127 2.901 106 H GLY 13 H GLY 13 1.345 -5.900 -0.083 107 HA2 GLY 13 2HA GLY 13 1.541 -7.108 -2.772 108 HA3 GLY 13 1HA GLY 13 1.346 -5.381 -2.512 109 H LEU 14 H LEU 14 3.193 -5.152 -0.329 110 HA LEU 14 HA LEU 14 5.609 -4.865 -1.801 111 HB2 LEU 14 2HB LEU 14 4.876 -4.519 1.089 112 HB3 LEU 14 1HB LEU 14 6.551 -4.435 0.585 113 HG LEU 14 HG LEU 14 5.732 -2.205 0.751 114 HD11 LEU 14 1HD1 LEU 14 7.205 -2.589 -1.132 115 HD12 LEU 14 2HD1 LEU 14 5.994 -1.374 -1.541 116 HD13 LEU 14 3HD1 LEU 14 5.830 -3.021 -2.149 117 HD21 LEU 14 3HD2 LEU 14 3.459 -3.095 -1.014 118 HD22 LEU 14 1HD2 LEU 14 3.790 -1.423 -0.561 119 HD23 LEU 14 2HD2 LEU 14 3.365 -2.604 0.677 120 H ASP 15 H ASP 15 4.560 -7.110 0.736 121 HA ASP 15 HA ASP 15 7.063 -8.540 0.702 122 HB2 ASP 15 2HB ASP 15 4.440 -9.140 2.079 123 HB3 ASP 15 1HB ASP 15 5.924 -10.059 2.310 124 H HIS 16 H HIS 16 4.902 -8.425 -1.615 125 HA HIS 16 HA HIS 16 4.942 -11.329 -2.119 126 HB2 HIS 16 2HB HIS 16 2.672 -10.252 -1.872 127 HB3 HIS 16 1HB HIS 16 3.020 -9.344 -3.340 128 HD1 HIS 16 1HD HIS 16 3.365 -10.863 -5.559 129 HD2 HIS 16 2HD HIS 16 1.710 -12.755 -2.251 130 HE1 HIS 16 1HE HIS 16 2.309 -12.995 -6.415 131 H ILE 17 H ILE 17 5.753 -8.181 -3.332 132 HA ILE 17 HA ILE 17 6.447 -9.225 -5.964 133 HB ILE 17 HB ILE 17 7.000 -6.904 -6.537 134 HG12 ILE 17 2HG1 ILE 17 6.116 -6.266 -3.711 135 HG13 ILE 17 1HG1 ILE 17 7.778 -6.201 -4.288 136 HG21 ILE 17 1HG2 ILE 17 4.733 -6.022 -6.440 137 HG22 ILE 17 2HG2 ILE 17 4.319 -7.188 -5.184 138 HG23 ILE 17 3HG2 ILE 17 4.715 -7.746 -6.810 139 HD11 ILE 17 3HD1 ILE 17 6.791 -3.988 -4.190 140 HD12 ILE 17 1HD1 ILE 17 5.500 -4.501 -5.275 141 HD13 ILE 17 2HD1 ILE 17 7.165 -4.435 -5.854 142 H THR 18 H THR 18 8.586 -8.599 -6.896 143 HA THR 18 HA THR 18 10.671 -9.567 -5.186 144 HB THR 18 HB THR 18 12.145 -9.262 -7.147 145 HG1 THR 18 1HG THR 18 9.929 -7.817 -8.042 146 HG21 THR 18 3HG2 THR 18 10.841 -11.321 -6.919 147 HG22 THR 18 1HG2 THR 18 11.032 -10.876 -8.615 148 HG23 THR 18 2HG2 THR 18 9.502 -10.575 -7.791 149 H GLU 19 H GLU 19 12.803 -8.459 -5.071 150 HA GLU 19 HA GLU 19 12.589 -6.016 -3.735 151 HB2 GLU 19 2HB GLU 19 15.047 -7.230 -5.005 152 HB3 GLU 19 1HB GLU 19 15.036 -5.983 -3.766 153 HG2 GLU 19 2HG GLU 19 14.003 -8.792 -3.443 154 HG3 GLU 19 1HG GLU 19 15.543 -8.180 -2.844 155 H GLU 20 H GLU 20 13.635 -6.724 -7.049 156 HA GLU 20 HA GLU 20 14.433 -4.139 -7.756 157 HB2 GLU 20 2HB GLU 20 14.099 -4.881 -10.092 158 HB3 GLU 20 1HB GLU 20 14.993 -6.048 -9.129 159 HG2 GLU 20 2HG GLU 20 13.001 -7.408 -8.882 160 HG3 GLU 20 1HG GLU 20 12.061 -6.220 -9.785 161 H GLU 21 H GLU 21 11.251 -5.632 -7.732 162 HA GLU 21 HA GLU 21 9.967 -3.470 -9.114 163 HB2 GLU 21 2HB GLU 21 8.808 -5.732 -7.478 164 HB3 GLU 21 1HB GLU 21 7.872 -4.619 -8.468 165 HG2 GLU 21 2HG GLU 21 9.031 -5.407 -10.463 166 HG3 GLU 21 1HG GLU 21 9.982 -6.516 -9.476 167 H LEU 22 H LEU 22 10.707 -4.222 -5.803 168 HA LEU 22 HA LEU 22 8.844 -2.709 -4.428 169 HB2 LEU 22 2HB LEU 22 11.742 -3.263 -3.839 170 HB3 LEU 22 1HB LEU 22 10.703 -2.404 -2.720 171 HG LEU 22 HG LEU 22 10.226 -5.223 -3.694 172 HD11 LEU 22 1HD1 LEU 22 12.217 -5.035 -2.269 173 HD12 LEU 22 2HD1 LEU 22 10.914 -5.925 -1.480 174 HD13 LEU 22 3HD1 LEU 22 11.239 -4.252 -1.027 175 HD21 LEU 22 3HD2 LEU 22 8.504 -5.316 -2.015 176 HD22 LEU 22 1HD2 LEU 22 8.192 -3.947 -3.081 177 HD23 LEU 22 2HD2 LEU 22 8.884 -3.678 -1.481 178 H LYS 23 H LYS 23 11.988 -1.628 -5.719 179 HA LYS 23 HA LYS 23 11.660 1.061 -4.864 180 HB2 LYS 23 2HB LYS 23 13.587 1.552 -6.290 181 HB3 LYS 23 1HB LYS 23 13.870 0.124 -5.308 182 HG2 LYS 23 2HG LYS 23 13.472 -1.313 -7.195 183 HG3 LYS 23 1HG LYS 23 13.019 0.068 -8.194 184 HD2 LYS 23 2HD LYS 23 15.291 0.985 -7.917 185 HD3 LYS 23 1HD LYS 23 15.733 -0.439 -6.974 186 HE2 LYS 23 2HE LYS 23 14.765 -0.497 -9.829 187 HE3 LYS 23 1HE LYS 23 16.458 -0.555 -9.342 188 HZ1 LYS 23 3HZ LYS 23 16.039 -2.614 -8.182 189 HZ2 LYS 23 1HZ LYS 23 15.547 -2.761 -9.794 190 HZ3 LYS 23 2HZ LYS 23 14.396 -2.548 -8.575 191 H ARG 24 H ARG 24 10.751 -0.686 -7.743 192 HA ARG 24 HA ARG 24 10.309 1.464 -9.479 193 HB2 ARG 24 2HB ARG 24 9.008 -1.250 -9.290 194 HB3 ARG 24 1HB ARG 24 8.651 -0.111 -10.581 195 HG2 ARG 24 2HG ARG 24 10.972 -0.147 -11.287 196 HG3 ARG 24 1HG ARG 24 11.374 -1.236 -9.957 197 HD2 ARG 24 2HD ARG 24 11.095 -2.404 -12.120 198 HD3 ARG 24 1HD ARG 24 9.969 -2.959 -10.882 199 HE ARG 24 HE ARG 24 8.570 -1.051 -12.206 200 HH11 ARG 24 1HH1 ARG 24 10.306 -3.899 -13.215 201 HH12 ARG 24 2HH1 ARG 24 9.280 -4.197 -14.578 202 HH21 ARG 24 1HH2 ARG 24 7.216 -1.437 -13.996 203 HH22 ARG 24 2HH2 ARG 24 7.524 -2.797 -15.023 204 H PHE 25 H PHE 25 8.091 -0.127 -7.204 205 HA PHE 25 HA PHE 25 5.881 1.560 -7.834 206 HB2 PHE 25 2HB PHE 25 5.413 -0.606 -6.932 207 HB3 PHE 25 1HB PHE 25 6.428 -0.309 -5.525 208 HD1 PHE 25 2HD PHE 25 3.475 1.234 -7.220 209 HD2 PHE 25 1HD PHE 25 5.360 0.156 -3.559 210 HE1 PHE 25 2HE PHE 25 1.515 2.049 -5.974 211 HE2 PHE 25 1HE PHE 25 3.403 0.968 -2.308 212 HZ PHE 25 HZ PHE 25 1.478 1.918 -3.516 213 H LYS 26 H LYS 26 8.289 1.535 -5.236 214 HA LYS 26 HA LYS 26 7.225 3.598 -3.673 215 HB2 LYS 26 2HB LYS 26 9.165 2.003 -3.152 216 HB3 LYS 26 1HB LYS 26 10.176 3.125 -4.046 217 HG2 LYS 26 2HG LYS 26 10.432 3.723 -1.799 218 HG3 LYS 26 1HG LYS 26 9.329 4.924 -2.473 219 HD2 LYS 26 2HD LYS 26 8.424 4.291 -0.376 220 HD3 LYS 26 1HD LYS 26 7.436 3.495 -1.603 221 HE2 LYS 26 2HE LYS 26 7.894 1.929 0.162 222 HE3 LYS 26 1HE LYS 26 8.783 1.437 -1.279 223 HZ1 LYS 26 3HZ LYS 26 10.775 2.435 -0.350 224 HZ2 LYS 26 1HZ LYS 26 10.147 1.274 0.707 225 HZ3 LYS 26 2HZ LYS 26 9.923 2.918 1.029 226 H TYR 27 H TYR 27 9.325 3.661 -6.483 227 HA TYR 27 HA TYR 27 9.902 6.446 -6.372 228 HB2 TYR 27 2HB TYR 27 11.393 4.910 -7.516 229 HB3 TYR 27 1HB TYR 27 10.109 4.440 -8.622 230 HD1 TYR 27 1HD TYR 27 12.462 7.113 -7.706 231 HD2 TYR 27 2HD TYR 27 9.526 5.830 -10.506 232 HE1 TYR 27 1HE TYR 27 13.172 8.887 -9.254 233 HE2 TYR 27 2HE TYR 27 10.228 7.602 -12.061 234 HH TYR 27 HH TYR 27 11.360 9.796 -11.960 235 H PHE 28 H PHE 28 7.330 4.536 -7.754 236 HA PHE 28 HA PHE 28 6.380 6.592 -9.509 237 HB2 PHE 28 2HB PHE 28 6.007 3.969 -9.540 238 HB3 PHE 28 1HB PHE 28 4.591 4.391 -8.582 239 HD1 PHE 28 1HD PHE 28 6.193 4.629 -11.854 240 HD2 PHE 28 2HD PHE 28 2.763 5.643 -9.548 241 HE1 PHE 28 1HE PHE 28 4.977 5.193 -13.917 242 HE2 PHE 28 2HE PHE 28 1.541 6.210 -11.606 243 HZ PHE 28 HZ PHE 28 2.648 5.984 -13.794 244 H ALA 29 H ALA 29 5.108 5.205 -6.473 245 HA ALA 29 HA ALA 29 3.033 7.108 -6.201 246 HB1 ALA 29 1HB ALA 29 2.878 4.985 -5.079 247 HB2 ALA 29 2HB ALA 29 2.871 6.274 -3.873 248 HB3 ALA 29 3HB ALA 29 4.334 5.330 -4.145 249 H LEU 30 H LEU 30 6.197 6.835 -4.578 250 HA LEU 30 HA LEU 30 5.868 9.553 -3.550 251 HB2 LEU 30 2HB LEU 30 8.095 7.601 -2.981 252 HB3 LEU 30 1HB LEU 30 7.761 9.092 -2.127 253 HG LEU 30 HG LEU 30 6.993 7.427 -0.691 254 HD11 LEU 30 1HD1 LEU 30 4.581 8.297 -2.269 255 HD12 LEU 30 2HD1 LEU 30 5.344 9.185 -0.950 256 HD13 LEU 30 3HD1 LEU 30 4.563 7.637 -0.634 257 HD21 LEU 30 3HD2 LEU 30 5.601 6.085 -2.998 258 HD22 LEU 30 1HD2 LEU 30 5.677 5.512 -1.332 259 HD23 LEU 30 2HD2 LEU 30 7.143 5.579 -2.311 260 H THR 31 H THR 31 6.218 10.793 -5.386 261 HA THR 31 HA THR 31 8.697 10.450 -6.875 262 HB THR 31 HB THR 31 7.858 12.153 -8.379 263 HG1 THR 31 1HG THR 31 5.928 12.523 -6.338 264 HG21 THR 31 3HG2 THR 31 5.695 10.200 -7.590 265 HG22 THR 31 1HG2 THR 31 7.015 9.894 -8.716 266 HG23 THR 31 2HG2 THR 31 5.770 11.075 -9.119 267 H GLU 32 H GLU 32 7.099 12.918 -4.889 268 HA GLU 32 HA GLU 32 9.539 14.521 -4.879 269 HB2 GLU 32 2HB GLU 32 7.343 15.610 -5.275 270 HB3 GLU 32 1HB GLU 32 6.838 15.125 -3.663 271 HG2 GLU 32 2HG GLU 32 8.628 16.476 -2.695 272 HG3 GLU 32 1HG GLU 32 9.130 16.966 -4.313 273 H PHE 33 H PHE 33 7.932 12.207 -2.945 274 HA PHE 33 HA PHE 33 9.010 13.153 -0.433 275 HB2 PHE 33 2HB PHE 33 7.663 10.526 -1.094 276 HB3 PHE 33 1HB PHE 33 8.000 11.137 0.522 277 HD1 PHE 33 1HD PHE 33 6.982 13.497 1.047 278 HD2 PHE 33 2HD PHE 33 5.581 10.882 -2.008 279 HE1 PHE 33 1HE PHE 33 4.806 14.642 1.070 280 HE2 PHE 33 2HE PHE 33 3.403 12.027 -1.990 281 HZ PHE 33 HZ PHE 33 3.013 13.908 -0.450 282 H GLN 34 H GLN 34 9.930 10.989 -2.966 283 HA GLN 34 HA GLN 34 11.649 9.498 -3.218 284 HB2 GLN 34 2HB GLN 34 12.683 11.751 -3.421 285 HB3 GLN 34 1HB GLN 34 13.118 11.672 -1.721 286 HG2 GLN 34 2HG GLN 34 15.025 11.113 -3.059 287 HG3 GLN 34 1HG GLN 34 14.485 9.678 -2.190 288 HE21 GLN 34 1HE2 GLN 34 12.865 10.958 -5.008 289 HE22 GLN 34 2HE2 GLN 34 13.271 9.660 -6.073 290 H ILE 35 H ILE 35 10.478 8.091 -1.522 291 HA ILE 35 HA ILE 35 11.547 7.954 1.103 292 HB ILE 35 HB ILE 35 9.909 6.031 -0.530 293 HG12 ILE 35 2HG1 ILE 35 9.403 7.586 2.018 294 HG13 ILE 35 1HG1 ILE 35 8.780 7.985 0.421 295 HG21 ILE 35 1HG2 ILE 35 11.373 4.627 0.789 296 HG22 ILE 35 2HG2 ILE 35 9.748 4.588 1.472 297 HG23 ILE 35 3HG2 ILE 35 11.005 5.556 2.241 298 HD11 ILE 35 3HD1 ILE 35 7.531 5.836 0.441 299 HD12 ILE 35 1HD1 ILE 35 7.034 6.971 1.697 300 HD13 ILE 35 2HD1 ILE 35 8.063 5.598 2.106 301 H ALA 36 H ALA 36 13.282 6.954 1.896 302 HA ALA 36 HA ALA 36 15.422 6.194 0.299 303 HB1 ALA 36 1HB ALA 36 14.907 5.332 3.140 304 HB2 ALA 36 2HB ALA 36 15.576 6.892 2.662 305 HB3 ALA 36 3HB ALA 36 16.469 5.408 2.325 306 H ARG 37 H ARG 37 16.213 4.288 -0.471 307 HA ARG 37 HA ARG 37 14.393 2.179 -0.968 308 HB2 ARG 37 2HB ARG 37 16.285 1.032 -2.009 309 HB3 ARG 37 1HB ARG 37 16.215 2.714 -2.513 310 HG2 ARG 37 2HG ARG 37 18.008 3.280 -0.992 311 HG3 ARG 37 1HG ARG 37 18.042 1.625 -0.381 312 HD2 ARG 37 2HD ARG 37 19.831 1.926 -1.969 313 HD3 ARG 37 1HD ARG 37 18.623 0.837 -2.649 314 HE ARG 37 HE ARG 37 18.092 3.488 -3.455 315 HH11 ARG 37 1HH1 ARG 37 20.327 0.871 -4.016 316 HH12 ARG 37 2HH1 ARG 37 20.704 1.370 -5.631 317 HH21 ARG 37 1HH2 ARG 37 18.582 4.149 -5.582 318 HH22 ARG 37 2HH2 ARG 37 19.715 3.234 -6.519 319 H SER 38 H SER 38 16.931 2.652 1.406 320 HA SER 38 HA SER 38 17.128 0.015 2.350 321 HB2 SER 38 2HB SER 38 17.547 2.616 3.844 322 HB3 SER 38 1HB SER 38 18.088 1.029 4.392 323 HG SER 38 HG SER 38 19.593 2.503 3.137 324 H THR 39 H THR 39 14.794 2.520 2.915 325 HA THR 39 HA THR 39 13.635 1.669 5.302 326 HB THR 39 HB THR 39 12.183 2.916 2.959 327 HG1 THR 39 1HG THR 39 13.683 4.094 5.079 328 HG21 THR 39 3HG2 THR 39 10.693 2.078 4.704 329 HG22 THR 39 1HG2 THR 39 10.711 3.842 4.691 330 HG23 THR 39 2HG2 THR 39 11.610 2.960 5.924 331 H LEU 40 H LEU 40 13.546 0.237 2.179 332 HA LEU 40 HA LEU 40 11.095 -1.093 2.212 333 HB2 LEU 40 2HB LEU 40 13.736 -1.859 0.984 334 HB3 LEU 40 1HB LEU 40 12.253 -2.749 0.702 335 HG LEU 40 HG LEU 40 12.577 0.178 0.051 336 HD11 LEU 40 1HD1 LEU 40 12.829 -0.538 -2.277 337 HD12 LEU 40 2HD1 LEU 40 12.865 -2.221 -1.753 338 HD13 LEU 40 3HD1 LEU 40 14.153 -1.120 -1.269 339 HD21 LEU 40 3HD2 LEU 40 10.275 -0.581 0.384 340 HD22 LEU 40 1HD2 LEU 40 10.528 -1.869 -0.793 341 HD23 LEU 40 2HD2 LEU 40 10.583 -0.182 -1.306 342 H ASP 41 H ASP 41 13.697 -1.508 4.309 343 HA ASP 41 HA ASP 41 13.721 -4.265 4.766 344 HB2 ASP 41 2HB ASP 41 15.387 -2.709 5.711 345 HB3 ASP 41 1HB ASP 41 14.154 -2.047 6.779 346 H VAL 42 H VAL 42 11.624 -1.735 6.031 347 HA VAL 42 HA VAL 42 9.715 -3.780 6.888 348 HB VAL 42 HB VAL 42 9.279 -2.505 8.997 349 HG11 VAL 42 1HG1 VAL 42 11.226 -3.435 10.216 350 HG12 VAL 42 2HG1 VAL 42 12.002 -3.758 8.665 351 HG13 VAL 42 3HG1 VAL 42 10.501 -4.581 9.090 352 HG21 VAL 42 3HG2 VAL 42 11.045 -1.032 9.848 353 HG22 VAL 42 1HG2 VAL 42 10.320 -0.398 8.370 354 HG23 VAL 42 2HG2 VAL 42 11.900 -1.180 8.313 355 H ALA 43 H ALA 43 10.168 -1.438 4.901 356 HA ALA 43 HA ALA 43 8.430 0.646 5.331 357 HB1 ALA 43 1HB ALA 43 9.007 -0.729 2.724 358 HB2 ALA 43 2HB ALA 43 9.957 0.567 3.451 359 HB3 ALA 43 3HB ALA 43 8.308 0.880 2.907 360 H ASP 44 H ASP 44 7.654 -2.602 4.237 361 HA ASP 44 HA ASP 44 5.107 -2.085 3.250 362 HB2 ASP 44 2HB ASP 44 4.663 -4.496 3.685 363 HB3 ASP 44 1HB ASP 44 6.172 -4.193 2.831 364 H ARG 45 H ARG 45 5.922 -3.215 6.582 365 HA ARG 45 HA ARG 45 3.158 -2.884 7.315 366 HB2 ARG 45 2HB ARG 45 3.989 -3.528 9.617 367 HB3 ARG 45 1HB ARG 45 4.162 -4.716 8.335 368 HG2 ARG 45 2HG ARG 45 6.538 -4.004 8.090 369 HG3 ARG 45 1HG ARG 45 6.320 -2.980 9.511 370 HD2 ARG 45 2HD ARG 45 5.673 -4.973 10.811 371 HD3 ARG 45 1HD ARG 45 5.990 -5.975 9.396 372 HE ARG 45 HE ARG 45 8.311 -4.580 9.818 373 HH11 ARG 45 1HH1 ARG 45 6.333 -6.747 11.700 374 HH12 ARG 45 2HH1 ARG 45 7.662 -7.367 12.620 375 HH21 ARG 45 1HH2 ARG 45 10.066 -5.394 11.025 376 HH22 ARG 45 2HH2 ARG 45 9.782 -6.599 12.237 377 H THR 46 H THR 46 6.112 -1.407 8.709 378 HA THR 46 HA THR 46 4.489 0.489 10.150 379 HB THR 46 HB THR 46 6.255 -0.391 11.397 380 HG1 THR 46 1HG THR 46 7.541 1.998 10.845 381 HG21 THR 46 3HG2 THR 46 7.666 -1.147 9.534 382 HG22 THR 46 1HG2 THR 46 8.602 -0.260 10.737 383 HG23 THR 46 2HG2 THR 46 8.146 0.522 9.224 384 H GLU 47 H GLU 47 7.215 0.958 7.875 385 HA GLU 47 HA GLU 47 6.982 3.779 7.991 386 HB2 GLU 47 2HB GLU 47 8.639 1.832 6.525 387 HB3 GLU 47 1HB GLU 47 8.543 3.459 5.860 388 HG2 GLU 47 2HG GLU 47 9.359 2.763 8.676 389 HG3 GLU 47 1HG GLU 47 10.461 3.155 7.357 390 H LEU 48 H LEU 48 6.411 1.682 5.127 391 HA LEU 48 HA LEU 48 5.488 3.762 3.512 392 HB2 LEU 48 2HB LEU 48 5.959 1.107 3.124 393 HB3 LEU 48 1HB LEU 48 4.210 1.164 3.015 394 HG LEU 48 HG LEU 48 6.168 2.715 1.322 395 HD11 LEU 48 1HD1 LEU 48 5.292 1.357 -0.502 396 HD12 LEU 48 2HD1 LEU 48 4.248 0.496 0.629 397 HD13 LEU 48 3HD1 LEU 48 6.001 0.345 0.757 398 HD21 LEU 48 3HD2 LEU 48 4.198 4.071 1.729 399 HD22 LEU 48 1HD2 LEU 48 3.150 2.721 1.292 400 HD23 LEU 48 2HD2 LEU 48 4.182 3.465 0.072 401 H ALA 49 H ALA 49 3.684 1.619 5.671 402 HA ALA 49 HA ALA 49 1.104 2.397 4.914 403 HB1 ALA 49 1HB ALA 49 1.559 0.437 6.296 404 HB2 ALA 49 2HB ALA 49 0.376 1.500 7.058 405 HB3 ALA 49 3HB ALA 49 2.045 1.486 7.629 406 H ASP 50 H ASP 50 3.056 3.596 7.657 407 HA ASP 50 HA ASP 50 1.195 5.601 8.392 408 HB2 ASP 50 2HB ASP 50 2.837 4.689 9.966 409 HB3 ASP 50 1HB ASP 50 4.145 5.397 9.023 410 H HIS 51 H HIS 51 4.002 5.618 6.273 411 HA HIS 51 HA HIS 51 4.369 8.377 6.036 412 HB2 HIS 51 2HB HIS 51 5.965 6.662 5.220 413 HB3 HIS 51 1HB HIS 51 4.857 6.292 3.901 414 HD1 HIS 51 1HD HIS 51 4.668 8.072 1.984 415 HD2 HIS 51 2HD HIS 51 7.449 8.976 4.936 416 HE1 HIS 51 1HE HIS 51 6.089 9.952 1.068 417 H LEU 52 H LEU 52 2.615 6.228 3.781 418 HA LEU 52 HA LEU 52 1.714 8.176 2.049 419 HB2 LEU 52 2HB LEU 52 -0.135 6.585 1.494 420 HB3 LEU 52 1HB LEU 52 1.485 5.918 1.417 421 HG LEU 52 HG LEU 52 0.931 5.116 3.866 422 HD11 LEU 52 1HD1 LEU 52 -1.419 4.504 4.119 423 HD12 LEU 52 2HD1 LEU 52 -1.804 5.358 2.624 424 HD13 LEU 52 3HD1 LEU 52 -1.217 6.253 4.025 425 HD21 LEU 52 3HD2 LEU 52 1.466 3.666 1.978 426 HD22 LEU 52 1HD2 LEU 52 -0.194 3.801 1.396 427 HD23 LEU 52 2HD2 LEU 52 0.140 3.001 2.933 428 H ILE 53 H ILE 53 0.425 7.313 5.196 429 HA ILE 53 HA ILE 53 -2.108 8.451 5.033 430 HB ILE 53 HB ILE 53 -0.279 8.406 7.437 431 HG12 ILE 53 2HG1 ILE 53 -2.473 6.486 6.633 432 HG13 ILE 53 1HG1 ILE 53 -0.756 6.185 6.400 433 HG21 ILE 53 1HG2 ILE 53 -2.095 10.002 7.720 434 HG22 ILE 53 2HG2 ILE 53 -2.339 8.596 8.756 435 HG23 ILE 53 3HG2 ILE 53 -3.270 8.767 7.267 436 HD11 ILE 53 3HD1 ILE 53 -2.202 6.497 9.016 437 HD12 ILE 53 1HD1 ILE 53 -0.450 6.361 8.853 438 HD13 ILE 53 2HD1 ILE 53 -1.490 5.027 8.353 439 H GLN 54 H GLN 54 1.010 9.980 5.642 440 HA GLN 54 HA GLN 54 -0.102 12.539 6.268 441 HB2 GLN 54 2HB GLN 54 2.710 11.788 5.454 442 HB3 GLN 54 1HB GLN 54 2.221 13.340 6.121 443 HG2 GLN 54 2HG GLN 54 1.538 12.222 8.192 444 HG3 GLN 54 1HG GLN 54 2.068 10.680 7.522 445 HE21 GLN 54 1HE2 GLN 54 3.069 13.762 8.778 446 HE22 GLN 54 2HE2 GLN 54 4.733 13.358 9.005 447 H SER 55 H SER 55 0.828 10.906 3.350 448 HA SER 55 HA SER 55 1.187 13.164 1.696 449 HB2 SER 55 2HB SER 55 0.327 10.359 0.954 450 HB3 SER 55 1HB SER 55 0.904 11.585 -0.177 451 HG SER 55 HG SER 55 2.558 11.104 1.981 452 H ALA 56 H ALA 56 -1.644 10.973 1.947 453 HA ALA 56 HA ALA 56 -3.301 13.237 1.034 454 HB1 ALA 56 1HB ALA 56 -3.059 11.535 -0.718 455 HB2 ALA 56 2HB ALA 56 -4.726 11.687 -0.162 456 HB3 ALA 56 3HB ALA 56 -3.737 10.329 0.375 457 H GLY 57 H GLY 57 -3.111 10.373 3.075 458 HA2 GLY 57 2HA GLY 57 -4.350 11.163 5.290 459 HA3 GLY 57 1HA GLY 57 -5.733 10.915 4.234 460 H ALA 58 H ALA 58 -5.948 9.399 6.302 461 HA ALA 58 HA ALA 58 -4.464 6.968 6.239 462 HB1 ALA 58 1HB ALA 58 -7.110 7.566 7.558 463 HB2 ALA 58 2HB ALA 58 -5.516 7.768 8.288 464 HB3 ALA 58 3HB ALA 58 -6.096 6.156 7.867 465 H ALA 59 H ALA 59 -7.972 7.363 5.741 466 HA ALA 59 HA ALA 59 -8.215 4.909 4.345 467 HB1 ALA 59 1HB ALA 59 -10.139 7.225 4.462 468 HB2 ALA 59 2HB ALA 59 -10.059 5.889 5.610 469 HB3 ALA 59 3HB ALA 59 -10.517 5.586 3.934 470 H SER 60 H SER 60 -7.869 8.250 3.293 471 HA SER 60 HA SER 60 -8.548 7.881 0.591 472 HB2 SER 60 2HB SER 60 -8.435 10.091 1.651 473 HB3 SER 60 1HB SER 60 -6.686 9.930 1.807 474 HG SER 60 HG SER 60 -6.546 9.885 -0.455 475 H ALA 61 H ALA 61 -5.295 8.088 2.064 476 HA ALA 61 HA ALA 61 -3.921 7.546 -0.339 477 HB1 ALA 61 1HB ALA 61 -1.947 7.305 1.021 478 HB2 ALA 61 2HB ALA 61 -2.930 7.134 2.473 479 HB3 ALA 61 3HB ALA 61 -2.908 8.667 1.600 480 H VAL 62 H VAL 62 -4.762 5.392 2.382 481 HA VAL 62 HA VAL 62 -3.451 3.117 1.436 482 HB VAL 62 HB VAL 62 -5.939 3.296 3.138 483 HG11 VAL 62 1HG1 VAL 62 -5.384 1.000 3.850 484 HG12 VAL 62 2HG1 VAL 62 -4.125 0.941 2.617 485 HG13 VAL 62 3HG1 VAL 62 -5.817 1.090 2.144 486 HG21 VAL 62 3HG2 VAL 62 -3.051 2.868 3.895 487 HG22 VAL 62 1HG2 VAL 62 -4.419 2.967 5.002 488 HG23 VAL 62 2HG2 VAL 62 -3.936 4.382 4.067 489 H THR 63 H THR 63 -6.583 4.446 0.551 490 HA THR 63 HA THR 63 -7.418 2.088 -0.866 491 HB THR 63 HB THR 63 -9.209 3.609 -1.801 492 HG1 THR 63 1HG THR 63 -9.143 5.569 -0.106 493 HG21 THR 63 3HG2 THR 63 -9.645 2.222 0.134 494 HG22 THR 63 1HG2 THR 63 -10.400 3.800 0.360 495 HG23 THR 63 2HG2 THR 63 -8.896 3.416 1.196 496 H LYS 64 H LYS 64 -6.349 5.340 -1.889 497 HA LYS 64 HA LYS 64 -6.394 4.815 -4.647 498 HB2 LYS 64 2HB LYS 64 -5.000 6.793 -4.890 499 HB3 LYS 64 1HB LYS 64 -6.263 7.083 -3.702 500 HG2 LYS 64 2HG LYS 64 -4.795 7.187 -1.957 501 HG3 LYS 64 1HG LYS 64 -3.616 6.134 -2.742 502 HD2 LYS 64 2HD LYS 64 -2.987 7.907 -4.257 503 HD3 LYS 64 1HD LYS 64 -4.235 8.960 -3.588 504 HE2 LYS 64 2HE LYS 64 -2.024 9.511 -2.699 505 HE3 LYS 64 1HE LYS 64 -3.109 8.946 -1.430 506 HZ1 LYS 64 3HZ LYS 64 -1.020 7.316 -2.772 507 HZ2 LYS 64 1HZ LYS 64 -2.063 6.770 -1.556 508 HZ3 LYS 64 2HZ LYS 64 -0.916 7.966 -1.214 509 H ALA 65 H ALA 65 -4.124 3.972 -2.183 510 HA ALA 65 HA ALA 65 -1.770 3.635 -3.605 511 HB1 ALA 65 1HB ALA 65 -1.949 3.402 -1.168 512 HB2 ALA 65 2HB ALA 65 -1.131 2.022 -1.900 513 HB3 ALA 65 3HB ALA 65 -2.812 1.878 -1.383 514 H ILE 66 H ILE 66 -4.659 1.695 -3.561 515 HA ILE 66 HA ILE 66 -3.558 -0.632 -4.777 516 HB ILE 66 HB ILE 66 -6.422 0.330 -4.735 517 HG12 ILE 66 2HG1 ILE 66 -5.436 0.005 -2.486 518 HG13 ILE 66 1HG1 ILE 66 -6.716 -1.153 -2.829 519 HG21 ILE 66 1HG2 ILE 66 -5.270 -2.382 -5.372 520 HG22 ILE 66 2HG2 ILE 66 -6.099 -1.297 -6.486 521 HG23 ILE 66 3HG2 ILE 66 -6.985 -2.036 -5.155 522 HD11 ILE 66 3HD1 ILE 66 -4.841 -2.197 -1.688 523 HD12 ILE 66 1HD1 ILE 66 -3.760 -1.700 -2.990 524 HD13 ILE 66 2HD1 ILE 66 -5.050 -2.861 -3.308 525 H ASN 67 H ASN 67 -5.167 2.260 -6.014 526 HA ASN 67 HA ASN 67 -5.509 1.458 -8.669 527 HB2 ASN 67 2HB ASN 67 -4.963 4.248 -7.638 528 HB3 ASN 67 1HB ASN 67 -5.687 3.839 -9.190 529 HD21 ASN 67 1HD2 ASN 67 -6.736 5.423 -6.970 530 HD22 ASN 67 2HD2 ASN 67 -8.227 4.679 -6.518 531 H ILE 68 H ILE 68 -2.745 2.964 -7.068 532 HA ILE 68 HA ILE 68 -1.230 3.255 -9.483 533 HB ILE 68 HB ILE 68 -0.273 3.354 -6.620 534 HG12 ILE 68 2HG1 ILE 68 -1.008 5.654 -8.440 535 HG13 ILE 68 1HG1 ILE 68 -2.102 4.982 -7.235 536 HG21 ILE 68 1HG2 ILE 68 0.984 4.350 -9.176 537 HG22 ILE 68 2HG2 ILE 68 1.549 3.008 -8.181 538 HG23 ILE 68 3HG2 ILE 68 1.602 4.655 -7.552 539 HD11 ILE 68 3HD1 ILE 68 -0.571 5.604 -5.466 540 HD12 ILE 68 1HD1 ILE 68 -0.986 7.006 -6.450 541 HD13 ILE 68 2HD1 ILE 68 0.580 6.218 -6.655 542 H PHE 69 H PHE 69 -0.992 1.089 -6.673 543 HA PHE 69 HA PHE 69 1.203 -0.402 -7.537 544 HB2 PHE 69 2HB PHE 69 0.302 -0.410 -5.228 545 HB3 PHE 69 1HB PHE 69 -1.076 -1.347 -5.792 546 HD1 PHE 69 2HD PHE 69 2.648 -1.446 -5.771 547 HD2 PHE 69 1HD PHE 69 -0.995 -3.643 -5.637 548 HE1 PHE 69 2HE PHE 69 3.917 -3.521 -5.403 549 HE2 PHE 69 1HE PHE 69 0.269 -5.721 -5.266 550 HZ PHE 69 HZ PHE 69 2.729 -5.662 -5.150 551 H GLN 70 H GLN 70 -2.199 -0.732 -8.355 552 HA GLN 70 HA GLN 70 -1.971 -3.372 -9.382 553 HB2 GLN 70 2HB GLN 70 -4.197 -3.048 -10.288 554 HB3 GLN 70 1HB GLN 70 -4.118 -2.437 -8.647 555 HG2 GLN 70 2HG GLN 70 -3.941 -0.155 -9.513 556 HG3 GLN 70 1HG GLN 70 -4.051 -0.782 -11.157 557 HE21 GLN 70 1HE2 GLN 70 -6.003 -1.571 -11.915 558 HE22 GLN 70 2HE2 GLN 70 -7.501 -1.252 -11.115 559 H LYS 71 H LYS 71 -2.301 -0.254 -11.088 560 HA LYS 71 HA LYS 71 -1.898 -1.384 -13.650 561 HB2 LYS 71 2HB LYS 71 -3.070 0.768 -13.182 562 HB3 LYS 71 1HB LYS 71 -1.510 1.491 -12.816 563 HG2 LYS 71 2HG LYS 71 -0.761 1.102 -15.085 564 HG3 LYS 71 1HG LYS 71 -2.276 0.283 -15.467 565 HD2 LYS 71 2HD LYS 71 -2.388 2.530 -16.308 566 HD3 LYS 71 1HD LYS 71 -3.480 2.393 -14.930 567 HE2 LYS 71 2HE LYS 71 -2.220 4.477 -14.843 568 HE3 LYS 71 1HE LYS 71 -1.804 3.429 -13.489 569 HZ1 LYS 71 3HZ LYS 71 0.158 4.443 -14.481 570 HZ2 LYS 71 1HZ LYS 71 -0.209 3.740 -15.977 571 HZ3 LYS 71 2HZ LYS 71 0.197 2.761 -14.658 572 H LEU 72 H LEU 72 0.329 -0.919 -11.180 573 HA LEU 72 HA LEU 72 2.521 -0.335 -13.053 574 HB2 LEU 72 2HB LEU 72 1.940 0.273 -10.298 575 HB3 LEU 72 1HB LEU 72 3.519 -0.464 -10.459 576 HG LEU 72 HG LEU 72 3.571 2.001 -10.506 577 HD11 LEU 72 1HD1 LEU 72 5.355 0.721 -11.553 578 HD12 LEU 72 2HD1 LEU 72 5.039 2.203 -12.457 579 HD13 LEU 72 3HD1 LEU 72 4.440 0.658 -13.061 580 HD21 LEU 72 3HD2 LEU 72 2.772 3.193 -12.482 581 HD22 LEU 72 1HD2 LEU 72 1.445 2.396 -11.639 582 HD23 LEU 72 2HD2 LEU 72 2.097 1.694 -13.119 583 H ASN 73 H ASN 73 1.630 -2.722 -10.543 584 HA ASN 73 HA ASN 73 3.811 -4.387 -11.620 585 HB2 ASN 73 2HB ASN 73 4.223 -3.417 -9.334 586 HB3 ASN 73 1HB ASN 73 2.909 -4.433 -8.749 587 HD21 ASN 73 1HD2 ASN 73 5.711 -4.461 -8.026 588 HD22 ASN 73 2HD2 ASN 73 6.289 -6.051 -8.379 589 H TYR 74 H TYR 74 0.737 -4.637 -9.817 590 HA TYR 74 HA TYR 74 0.262 -7.163 -11.231 591 HB2 TYR 74 2HB TYR 74 0.460 -6.816 -8.278 592 HB3 TYR 74 1HB TYR 74 -0.673 -8.000 -8.924 593 HD1 TYR 74 1HD TYR 74 0.365 -9.601 -10.768 594 HD2 TYR 74 2HD TYR 74 2.616 -7.516 -7.821 595 HE1 TYR 74 1HE TYR 74 2.189 -11.229 -11.018 596 HE2 TYR 74 2HE TYR 74 4.448 -9.138 -8.065 597 HH TYR 74 HH TYR 74 4.735 -11.491 -8.828 598 H MET 75 H MET 75 -1.148 -5.331 -12.257 599 HA MET 75 HA MET 75 -3.411 -4.321 -11.052 600 HB2 MET 75 2HB MET 75 -4.423 -4.312 -13.334 601 HB3 MET 75 1HB MET 75 -2.803 -3.631 -13.271 602 HG2 MET 75 2HG MET 75 -1.882 -5.712 -14.138 603 HG3 MET 75 1HG MET 75 -3.499 -6.414 -14.182 604 HE1 MET 75 3HE MET 75 -5.261 -4.250 -16.922 605 HE2 MET 75 1HE MET 75 -5.285 -4.025 -15.173 606 HE3 MET 75 2HE MET 75 -5.411 -5.646 -15.855 607 H HIS 76 H HIS 76 -2.702 -7.586 -11.812 608 HA HIS 76 HA HIS 76 -5.438 -8.493 -11.860 609 HB2 HIS 76 2HB HIS 76 -3.813 -9.705 -13.169 610 HB3 HIS 76 1HB HIS 76 -2.808 -9.978 -11.750 611 HD1 HIS 76 1HD HIS 76 -3.129 -12.209 -10.674 612 HD2 HIS 76 2HD HIS 76 -6.452 -11.026 -12.868 613 HE1 HIS 76 1HE HIS 76 -4.760 -14.139 -10.587 614 H ILE 77 H ILE 77 -2.701 -8.857 -9.598 615 HA ILE 77 HA ILE 77 -4.141 -10.248 -7.615 616 HB ILE 77 HB ILE 77 -1.629 -8.590 -7.416 617 HG12 ILE 77 2HG1 ILE 77 -2.082 -11.582 -7.483 618 HG13 ILE 77 1HG1 ILE 77 -1.491 -10.609 -8.825 619 HG21 ILE 77 1HG2 ILE 77 -1.247 -9.649 -5.244 620 HG22 ILE 77 2HG2 ILE 77 -2.827 -10.426 -5.344 621 HG23 ILE 77 3HG2 ILE 77 -2.713 -8.670 -5.232 622 HD11 ILE 77 3HD1 ILE 77 0.360 -11.717 -7.816 623 HD12 ILE 77 1HD1 ILE 77 -0.102 -11.142 -6.214 624 HD13 ILE 77 2HD1 ILE 77 0.472 -10.000 -7.427 625 H ALA 78 H ALA 78 -3.374 -6.794 -7.947 626 HA ALA 78 HA ALA 78 -4.384 -5.877 -5.543 627 HB1 ALA 78 1HB ALA 78 -4.650 -3.705 -6.646 628 HB2 ALA 78 2HB ALA 78 -4.437 -4.482 -8.213 629 HB3 ALA 78 3HB ALA 78 -3.112 -4.466 -7.049 630 H ASN 79 H ASN 79 -6.129 -6.852 -8.422 631 HA ASN 79 HA ASN 79 -8.588 -5.633 -7.954 632 HB2 ASN 79 2HB ASN 79 -7.972 -8.311 -9.212 633 HB3 ASN 79 1HB ASN 79 -9.560 -7.552 -9.250 634 HD21 ASN 79 1HD2 ASN 79 -8.435 -4.866 -9.494 635 HD22 ASN 79 2HD2 ASN 79 -7.885 -4.730 -11.126 636 H ALA 80 H ALA 80 -7.329 -8.703 -6.720 637 HA ALA 80 HA ALA 80 -9.716 -9.392 -5.318 638 HB1 ALA 80 1HB ALA 80 -8.393 -11.171 -4.325 639 HB2 ALA 80 2HB ALA 80 -6.912 -10.428 -4.928 640 HB3 ALA 80 3HB ALA 80 -8.098 -11.077 -6.061 641 H LEU 81 H LEU 81 -6.822 -7.602 -4.527 642 HA LEU 81 HA LEU 81 -7.164 -7.637 -1.704 643 HB2 LEU 81 2HB LEU 81 -5.609 -5.700 -3.411 644 HB3 LEU 81 1HB LEU 81 -5.446 -5.902 -1.678 645 HG LEU 81 HG LEU 81 -4.795 -8.009 -3.742 646 HD11 LEU 81 1HD1 LEU 81 -3.225 -6.158 -3.821 647 HD12 LEU 81 2HD1 LEU 81 -2.467 -7.585 -3.114 648 HD13 LEU 81 3HD1 LEU 81 -2.993 -6.260 -2.076 649 HD21 LEU 81 3HD2 LEU 81 -3.815 -9.228 -1.867 650 HD22 LEU 81 1HD2 LEU 81 -5.540 -8.961 -1.620 651 HD23 LEU 81 2HD2 LEU 81 -4.362 -7.973 -0.756 652 H GLU 82 H GLU 82 -8.007 -5.253 -4.209 653 HA GLU 82 HA GLU 82 -8.825 -3.189 -2.536 654 HB2 GLU 82 2HB GLU 82 -10.107 -2.332 -4.413 655 HB3 GLU 82 1HB GLU 82 -8.552 -2.937 -4.967 656 HG2 GLU 82 2HG GLU 82 -9.578 -4.938 -5.811 657 HG3 GLU 82 1HG GLU 82 -11.140 -4.459 -5.149 658 H GLU 83 H GLU 83 -10.384 -6.189 -3.272 659 HA GLU 83 HA GLU 83 -13.049 -5.582 -2.739 660 HB2 GLU 83 2HB GLU 83 -11.602 -8.147 -2.051 661 HB3 GLU 83 1HB GLU 83 -13.339 -7.952 -2.242 662 HG2 GLU 83 2HG GLU 83 -12.987 -7.357 -4.603 663 HG3 GLU 83 1HG GLU 83 -11.259 -7.638 -4.393 664 H LYS 84 H LYS 84 -10.366 -6.142 -0.556 665 HA LYS 84 HA LYS 84 -11.712 -6.571 1.830 666 HB2 LYS 84 2HB LYS 84 -9.224 -6.711 1.408 667 HB3 LYS 84 1HB LYS 84 -9.177 -4.960 1.554 668 HG2 LYS 84 2HG LYS 84 -9.918 -5.069 3.829 669 HG3 LYS 84 1HG LYS 84 -10.185 -6.809 3.701 670 HD2 LYS 84 2HD LYS 84 -7.642 -6.814 3.023 671 HD3 LYS 84 1HD LYS 84 -7.632 -5.284 3.905 672 HE2 LYS 84 2HE LYS 84 -7.038 -7.189 5.341 673 HE3 LYS 84 1HE LYS 84 -8.514 -6.384 5.877 674 HZ1 LYS 84 3HZ LYS 84 -9.793 -8.117 4.732 675 HZ2 LYS 84 1HZ LYS 84 -8.804 -8.757 5.947 676 HZ3 LYS 84 2HZ LYS 84 -8.356 -8.910 4.323 677 H LYS 85 H LYS 85 -11.218 -3.610 0.048 678 HA LYS 85 HA LYS 85 -11.647 -1.697 2.002 679 HB2 LYS 85 2HB LYS 85 -11.012 -1.179 -0.321 680 HB3 LYS 85 1HB LYS 85 -12.623 -1.632 -0.858 681 HG2 LYS 85 2HG LYS 85 -13.573 0.187 0.481 682 HG3 LYS 85 1HG LYS 85 -11.949 0.648 0.989 683 HD2 LYS 85 2HD LYS 85 -12.643 2.087 -0.812 684 HD3 LYS 85 1HD LYS 85 -11.362 1.022 -1.393 685 HE2 LYS 85 2HE LYS 85 -13.185 1.248 -3.021 686 HE3 LYS 85 1HE LYS 85 -13.003 -0.413 -2.459 687 HZ1 LYS 85 3HZ LYS 85 -15.031 1.529 -1.488 688 HZ2 LYS 85 1HZ LYS 85 -14.858 -0.067 -0.951 689 HZ3 LYS 85 2HZ LYS 85 -15.324 0.243 -2.547 690 H LYS 86 H LYS 86 -13.984 -3.690 0.279 691 HA LYS 86 HA LYS 86 -16.330 -2.379 1.055 692 HB2 LYS 86 2HB LYS 86 -15.821 -5.301 0.476 693 HB3 LYS 86 1HB LYS 86 -17.423 -4.613 0.696 694 HG2 LYS 86 2HG LYS 86 -17.114 -3.189 -1.237 695 HG3 LYS 86 1HG LYS 86 -15.462 -3.777 -1.432 696 HD2 LYS 86 2HD LYS 86 -16.912 -4.908 -3.000 697 HD3 LYS 86 1HD LYS 86 -16.351 -6.056 -1.784 698 HE2 LYS 86 2HE LYS 86 -18.722 -6.369 -2.243 699 HE3 LYS 86 1HE LYS 86 -18.470 -5.826 -0.586 700 HZ1 LYS 86 3HZ LYS 86 -20.307 -4.656 -1.607 701 HZ2 LYS 86 1HZ LYS 86 -19.309 -4.116 -2.864 702 HZ3 LYS 86 2HZ LYS 86 -19.046 -3.578 -1.282 703 H GLU 87 H GLU 87 -14.357 -4.781 2.701 704 HA GLU 87 HA GLU 87 -16.184 -5.134 4.881 705 HB2 GLU 87 2HB GLU 87 -14.586 -6.890 4.199 706 HB3 GLU 87 1HB GLU 87 -13.253 -5.851 4.683 707 HG2 GLU 87 2HG GLU 87 -14.003 -5.918 6.986 708 HG3 GLU 87 1HG GLU 87 -15.396 -6.893 6.522 709 H ALA 88 H ALA 88 -13.522 -3.015 4.154 710 HA ALA 88 HA ALA 88 -12.860 -2.146 6.731 711 HB1 ALA 88 1HB ALA 88 -12.770 -0.581 4.154 712 HB2 ALA 88 2HB ALA 88 -11.500 -1.640 4.768 713 HB3 ALA 88 3HB ALA 88 -11.924 -0.170 5.645 714 H GLU 89 H GLU 89 -15.549 -1.373 4.673 715 HA GLU 89 HA GLU 89 -16.402 1.057 5.654 716 HB2 GLU 89 2HB GLU 89 -18.112 -1.301 4.845 717 HB3 GLU 89 1HB GLU 89 -18.671 0.361 4.984 718 HG2 GLU 89 2HG GLU 89 -16.567 -0.629 3.073 719 HG3 GLU 89 1HG GLU 89 -18.245 -0.264 2.667 720 H ARG 90 H ARG 90 -17.391 -2.156 6.872 721 HA ARG 90 HA ARG 90 -18.847 -1.096 9.067 722 HB2 ARG 90 2HB ARG 90 -18.893 -3.428 9.884 723 HB3 ARG 90 1HB ARG 90 -19.371 -3.293 8.198 724 HG2 ARG 90 2HG ARG 90 -17.159 -4.039 7.501 725 HG3 ARG 90 1HG ARG 90 -16.661 -4.154 9.191 726 HD2 ARG 90 2HD ARG 90 -18.908 -5.716 7.920 727 HD3 ARG 90 1HD ARG 90 -17.288 -6.337 8.236 728 HE ARG 90 HE ARG 90 -18.497 -5.304 10.598 729 HH11 ARG 90 1HH1 ARG 90 -18.456 -8.061 8.463 730 HH12 ARG 90 2HH1 ARG 90 -18.966 -9.177 9.686 731 HH21 ARG 90 1HH2 ARG 90 -19.168 -6.767 12.212 732 HH22 ARG 90 2HH2 ARG 90 -19.372 -8.441 11.816 733 H LYS 91 H LYS 91 -15.500 -1.777 8.571 734 HA LYS 91 HA LYS 91 -14.794 -2.057 11.328 735 HB2 LYS 91 2HB LYS 91 -13.123 -1.451 8.886 736 HB3 LYS 91 1HB LYS 91 -12.457 -1.738 10.489 737 HG2 LYS 91 2HG LYS 91 -13.387 -3.987 10.487 738 HG3 LYS 91 1HG LYS 91 -14.096 -3.700 8.896 739 HD2 LYS 91 2HD LYS 91 -12.060 -4.948 8.618 740 HD3 LYS 91 1HD LYS 91 -11.805 -3.311 8.009 741 HE2 LYS 91 2HE LYS 91 -9.898 -4.108 9.332 742 HE3 LYS 91 1HE LYS 91 -10.664 -2.698 10.062 743 HZ1 LYS 91 3HZ LYS 91 -10.145 -4.375 11.717 744 HZ2 LYS 91 1HZ LYS 91 -11.083 -5.519 10.897 745 HZ3 LYS 91 2HZ LYS 91 -11.819 -4.166 11.597 746 H LEU 92 H LEU 92 -14.720 0.602 8.998 747 HA LEU 92 HA LEU 92 -13.731 2.445 11.019 748 HB2 LEU 92 2HB LEU 92 -14.305 2.685 8.079 749 HB3 LEU 92 1HB LEU 92 -13.993 4.099 9.066 750 HG LEU 92 HG LEU 92 -11.784 3.087 9.691 751 HD11 LEU 92 1HD1 LEU 92 -12.301 0.757 9.218 752 HD12 LEU 92 2HD1 LEU 92 -10.907 1.294 8.281 753 HD13 LEU 92 3HD1 LEU 92 -12.482 1.133 7.504 754 HD21 LEU 92 3HD2 LEU 92 -10.712 3.635 7.562 755 HD22 LEU 92 1HD2 LEU 92 -11.959 4.809 7.983 756 HD23 LEU 92 2HD2 LEU 92 -12.283 3.579 6.759 757 H MET 93 H MET 93 -16.630 1.158 10.438 758 HA MET 93 HA MET 93 -18.293 3.493 10.389 759 HB2 MET 93 2HB MET 93 -19.013 1.288 9.494 760 HB3 MET 93 1HB MET 93 -19.017 0.652 11.134 761 HG2 MET 93 2HG MET 93 -20.742 2.270 11.753 762 HG3 MET 93 1HG MET 93 -20.742 2.893 10.104 763 HE1 MET 93 3HE MET 93 -23.380 2.523 9.943 764 HE2 MET 93 1HE MET 93 -23.360 1.940 11.607 765 HE3 MET 93 2HE MET 93 -24.168 0.999 10.354 766 H THR 94 H THR 94 -16.652 1.698 12.802 767 HA THR 94 HA THR 94 -18.036 3.245 14.893 768 HB THR 94 HB THR 94 -17.675 1.385 16.462 769 HG1 THR 94 1HG THR 94 -15.928 0.530 14.838 770 HG21 THR 94 3HG2 THR 94 -19.149 0.554 13.959 771 HG22 THR 94 1HG2 THR 94 -19.809 1.533 15.269 772 HG23 THR 94 2HG2 THR 94 -19.362 -0.148 15.563 773 H ASN 95 H ASN 95 -16.765 4.340 16.287 774 HA ASN 95 HA ASN 95 -13.908 4.350 15.768 775 HB2 ASN 95 2HB ASN 95 -15.173 6.478 15.990 776 HB3 ASN 95 1HB ASN 95 -15.521 6.067 17.667 777 HD21 ASN 95 1HD2 ASN 95 -13.088 7.059 15.401 778 HD22 ASN 95 2HD2 ASN 95 -11.900 7.518 16.568 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -9.696 -2.666 14.619 2 H2 MET 1 2HT MET 1 -8.846 -3.191 13.256 3 H3 MET 1 3HT MET 1 -10.200 -2.196 13.076 4 HA MET 1 HA MET 1 -9.069 -0.394 14.200 5 HB2 MET 1 2HB MET 1 -6.710 -2.289 14.172 6 HB3 MET 1 1HB MET 1 -6.657 -0.602 14.662 7 HG2 MET 1 2HG MET 1 -6.742 -1.770 16.665 8 HG3 MET 1 1HG MET 1 -8.404 -1.243 16.411 9 HE1 MET 1 2HE MET 1 -6.878 -5.544 15.728 10 HE2 MET 1 3HE MET 1 -5.877 -4.194 16.264 11 HE3 MET 1 1HE MET 1 -6.498 -4.231 14.613 12 H GLU 2 H GLU 2 -8.376 1.161 12.829 13 HA GLU 2 HA GLU 2 -8.253 0.626 10.071 14 HB2 GLU 2 2HB GLU 2 -7.736 2.962 9.785 15 HB3 GLU 2 1HB GLU 2 -8.937 2.805 11.057 16 HG2 GLU 2 2HG GLU 2 -5.988 3.148 11.543 17 HG3 GLU 2 1HG GLU 2 -7.157 4.467 11.527 18 H SER 3 H SER 3 -5.798 0.831 12.533 19 HA SER 3 HA SER 3 -3.539 1.204 10.912 20 HB2 SER 3 2HB SER 3 -3.766 -0.293 13.535 21 HB3 SER 3 1HB SER 3 -2.261 0.261 12.802 22 HG SER 3 HG SER 3 -4.396 1.829 13.803 23 H GLU 4 H GLU 4 -5.391 -1.658 11.721 24 HA GLU 4 HA GLU 4 -3.493 -3.511 10.646 25 HB2 GLU 4 2HB GLU 4 -5.091 -4.187 12.375 26 HB3 GLU 4 1HB GLU 4 -6.428 -3.858 11.282 27 HG2 GLU 4 2HG GLU 4 -5.655 -5.624 9.791 28 HG3 GLU 4 1HG GLU 4 -4.301 -5.947 10.873 29 H TYR 5 H TYR 5 -6.196 -1.696 9.402 30 HA TYR 5 HA TYR 5 -6.497 -3.198 6.994 31 HB2 TYR 5 2HB TYR 5 -8.342 -1.866 7.875 32 HB3 TYR 5 1HB TYR 5 -7.393 -0.394 7.694 33 HD1 TYR 5 2HD TYR 5 -8.760 -3.232 5.688 34 HD2 TYR 5 1HD TYR 5 -7.610 0.864 5.759 35 HE1 TYR 5 2HE TYR 5 -9.639 -2.951 3.408 36 HE2 TYR 5 1HE TYR 5 -8.486 1.156 3.481 37 HH TYR 5 HH TYR 5 -10.442 -1.183 1.950 38 H ARG 6 H ARG 6 -4.625 -0.380 7.943 39 HA ARG 6 HA ARG 6 -3.764 0.173 5.245 40 HB2 ARG 6 2HB ARG 6 -2.354 1.899 6.282 41 HB3 ARG 6 1HB ARG 6 -4.025 2.015 6.815 42 HG2 ARG 6 2HG ARG 6 -3.478 0.991 8.921 43 HG3 ARG 6 1HG ARG 6 -1.824 0.692 8.386 44 HD2 ARG 6 2HD ARG 6 -1.502 3.137 8.165 45 HD3 ARG 6 1HD ARG 6 -3.122 3.379 8.816 46 HE ARG 6 HE ARG 6 -2.254 2.211 10.859 47 HH11 ARG 6 1HH1 ARG 6 -0.111 3.904 8.693 48 HH12 ARG 6 2HH1 ARG 6 1.069 4.237 9.917 49 HH21 ARG 6 1HH2 ARG 6 -0.706 2.650 12.476 50 HH22 ARG 6 2HH2 ARG 6 0.731 3.527 12.065 51 H GLU 7 H GLU 7 -2.417 -1.354 8.127 52 HA GLU 7 HA GLU 7 0.216 -1.654 7.108 53 HB2 GLU 7 2HB GLU 7 -0.283 -1.723 9.508 54 HB3 GLU 7 1HB GLU 7 -1.203 -3.204 9.281 55 HG2 GLU 7 2HG GLU 7 0.820 -4.360 8.565 56 HG3 GLU 7 1HG GLU 7 1.746 -2.873 8.767 57 H MET 8 H MET 8 -2.472 -3.980 7.427 58 HA MET 8 HA MET 8 -1.122 -6.128 6.221 59 HB2 MET 8 2HB MET 8 -3.194 -6.312 7.607 60 HB3 MET 8 1HB MET 8 -4.106 -5.666 6.249 61 HG2 MET 8 2HG MET 8 -4.227 -8.115 6.412 62 HG3 MET 8 1HG MET 8 -3.527 -7.563 4.891 63 HE1 MET 8 3HE MET 8 -1.447 -10.781 5.301 64 HE2 MET 8 1HE MET 8 -2.334 -9.741 4.187 65 HE3 MET 8 2HE MET 8 -3.179 -10.528 5.520 66 H LEU 9 H LEU 9 -3.424 -3.789 4.840 67 HA LEU 9 HA LEU 9 -3.550 -4.830 2.265 68 HB2 LEU 9 2HB LEU 9 -4.983 -3.019 3.234 69 HB3 LEU 9 1HB LEU 9 -3.650 -1.908 3.014 70 HG LEU 9 HG LEU 9 -5.515 -1.869 1.275 71 HD11 LEU 9 1HD1 LEU 9 -3.282 -0.823 1.004 72 HD12 LEU 9 2HD1 LEU 9 -4.015 -1.349 -0.510 73 HD13 LEU 9 3HD1 LEU 9 -2.729 -2.305 0.224 74 HD21 LEU 9 3HD2 LEU 9 -4.114 -4.371 0.342 75 HD22 LEU 9 1HD2 LEU 9 -5.379 -3.498 -0.523 76 HD23 LEU 9 2HD2 LEU 9 -5.744 -4.291 1.009 77 H LEU 10 H LEU 10 -1.295 -2.424 3.589 78 HA LEU 10 HA LEU 10 0.084 -1.920 1.196 79 HB2 LEU 10 2HB LEU 10 0.496 -1.397 4.054 80 HB3 LEU 10 1HB LEU 10 1.979 -1.523 3.128 81 HG LEU 10 HG LEU 10 1.190 0.802 3.347 82 HD11 LEU 10 1HD1 LEU 10 2.544 0.138 1.425 83 HD12 LEU 10 2HD1 LEU 10 1.400 1.409 1.001 84 HD13 LEU 10 3HD1 LEU 10 1.079 -0.259 0.527 85 HD21 LEU 10 3HD2 LEU 10 -0.802 1.526 2.121 86 HD22 LEU 10 1HD2 LEU 10 -1.208 0.388 3.406 87 HD23 LEU 10 2HD2 LEU 10 -1.170 -0.153 1.728 88 H LEU 11 H LEU 11 1.063 -4.005 3.926 89 HA LEU 11 HA LEU 11 3.336 -5.050 2.676 90 HB2 LEU 11 2HB LEU 11 3.480 -6.573 4.451 91 HB3 LEU 11 1HB LEU 11 2.749 -5.135 5.125 92 HG LEU 11 HG LEU 11 0.502 -6.445 4.624 93 HD11 LEU 11 1HD1 LEU 11 1.501 -8.360 3.542 94 HD12 LEU 11 2HD1 LEU 11 0.798 -8.853 5.082 95 HD13 LEU 11 3HD1 LEU 11 2.543 -8.642 4.937 96 HD21 LEU 11 3HD2 LEU 11 2.313 -7.051 6.957 97 HD22 LEU 11 1HD2 LEU 11 0.563 -7.267 6.920 98 HD23 LEU 11 2HD2 LEU 11 1.255 -5.649 6.807 99 H THR 12 H THR 12 0.001 -5.843 2.242 100 HA THR 12 HA THR 12 0.093 -8.479 1.403 101 HB THR 12 HB THR 12 -1.617 -6.248 0.286 102 HG1 THR 12 1HG THR 12 -2.888 -6.634 1.955 103 HG21 THR 12 3HG2 THR 12 -1.961 -9.240 0.067 104 HG22 THR 12 1HG2 THR 12 -1.575 -8.138 -1.255 105 HG23 THR 12 2HG2 THR 12 -3.138 -8.033 -0.447 106 H GLY 13 H GLY 13 1.291 -5.639 -0.202 107 HA2 GLY 13 2HA GLY 13 1.761 -7.215 -2.648 108 HA3 GLY 13 1HA GLY 13 1.711 -5.463 -2.581 109 H LEU 14 H LEU 14 3.388 -5.036 -0.367 110 HA LEU 14 HA LEU 14 5.899 -5.001 -1.569 111 HB2 LEU 14 2HB LEU 14 4.990 -4.690 1.271 112 HB3 LEU 14 1HB LEU 14 6.699 -4.683 0.884 113 HG LEU 14 HG LEU 14 5.934 -2.415 1.057 114 HD11 LEU 14 1HD1 LEU 14 6.529 -1.551 -1.145 115 HD12 LEU 14 2HD1 LEU 14 6.323 -3.159 -1.838 116 HD13 LEU 14 3HD1 LEU 14 7.601 -2.863 -0.658 117 HD21 LEU 14 3HD2 LEU 14 3.863 -3.170 -0.999 118 HD22 LEU 14 1HD2 LEU 14 4.196 -1.526 -0.454 119 HD23 LEU 14 2HD2 LEU 14 3.574 -2.722 0.683 120 H ASP 15 H ASP 15 4.609 -7.274 0.844 121 HA ASP 15 HA ASP 15 7.053 -8.803 0.886 122 HB2 ASP 15 2HB ASP 15 4.340 -9.306 2.118 123 HB3 ASP 15 1HB ASP 15 5.736 -10.353 2.351 124 H HIS 16 H HIS 16 5.034 -8.505 -1.522 125 HA HIS 16 HA HIS 16 5.221 -11.341 -2.274 126 HB2 HIS 16 2HB HIS 16 2.866 -9.493 -2.650 127 HB3 HIS 16 1HB HIS 16 3.055 -10.991 -3.557 128 HD1 HIS 16 1HD HIS 16 2.119 -13.049 -2.454 129 HD2 HIS 16 2HD HIS 16 2.761 -9.950 0.237 130 HE1 HIS 16 1HE HIS 16 1.187 -13.831 -0.235 131 H ILE 17 H ILE 17 6.670 -8.675 -2.845 132 HA ILE 17 HA ILE 17 6.771 -9.068 -5.757 133 HB ILE 17 HB ILE 17 7.151 -6.654 -6.069 134 HG12 ILE 17 2HG1 ILE 17 6.321 -6.401 -3.170 135 HG13 ILE 17 1HG1 ILE 17 7.970 -6.209 -3.755 136 HG21 ILE 17 1HG2 ILE 17 4.570 -7.493 -4.768 137 HG22 ILE 17 2HG2 ILE 17 4.952 -7.437 -6.489 138 HG23 ILE 17 3HG2 ILE 17 4.790 -5.939 -5.573 139 HD11 ILE 17 3HD1 ILE 17 7.283 -4.297 -5.089 140 HD12 ILE 17 1HD1 ILE 17 6.883 -4.063 -3.387 141 HD13 ILE 17 2HD1 ILE 17 5.620 -4.499 -4.538 142 H THR 18 H THR 18 8.799 -8.249 -6.734 143 HA THR 18 HA THR 18 11.055 -9.080 -5.126 144 HB THR 18 HB THR 18 12.363 -8.806 -7.207 145 HG1 THR 18 1HG THR 18 11.067 -8.334 -9.135 146 HG21 THR 18 3HG2 THR 18 9.806 -10.385 -7.309 147 HG22 THR 18 1HG2 THR 18 11.432 -10.953 -6.933 148 HG23 THR 18 2HG2 THR 18 11.019 -10.487 -8.584 149 H GLU 19 H GLU 19 13.105 -7.791 -5.212 150 HA GLU 19 HA GLU 19 12.704 -5.251 -4.070 151 HB2 GLU 19 2HB GLU 19 15.201 -6.534 -5.181 152 HB3 GLU 19 1HB GLU 19 15.190 -5.023 -4.284 153 HG2 GLU 19 2HG GLU 19 14.279 -7.694 -3.239 154 HG3 GLU 19 1HG GLU 19 15.813 -6.906 -2.874 155 H GLU 20 H GLU 20 13.759 -6.213 -7.313 156 HA GLU 20 HA GLU 20 14.331 -3.650 -8.291 157 HB2 GLU 20 2HB GLU 20 13.970 -4.677 -10.548 158 HB3 GLU 20 1HB GLU 20 15.075 -5.573 -9.513 159 HG2 GLU 20 2HG GLU 20 13.299 -7.153 -8.975 160 HG3 GLU 20 1HG GLU 20 12.181 -6.248 -9.992 161 H GLU 21 H GLU 21 11.315 -5.530 -8.389 162 HA GLU 21 HA GLU 21 9.850 -3.518 -9.782 163 HB2 GLU 21 2HB GLU 21 8.862 -5.839 -8.112 164 HB3 GLU 21 1HB GLU 21 7.867 -4.861 -9.182 165 HG2 GLU 21 2HG GLU 21 9.181 -5.611 -11.097 166 HG3 GLU 21 1HG GLU 21 10.187 -6.585 -10.025 167 H LEU 22 H LEU 22 10.568 -4.166 -6.448 168 HA LEU 22 HA LEU 22 8.521 -2.580 -5.282 169 HB2 LEU 22 2HB LEU 22 10.143 -4.369 -4.249 170 HB3 LEU 22 1HB LEU 22 11.193 -2.992 -3.991 171 HG LEU 22 HG LEU 22 8.371 -3.138 -2.938 172 HD11 LEU 22 1HD1 LEU 22 9.691 -4.944 -1.971 173 HD12 LEU 22 2HD1 LEU 22 9.360 -3.690 -0.775 174 HD13 LEU 22 3HD1 LEU 22 10.952 -3.793 -1.526 175 HD21 LEU 22 3HD2 LEU 22 9.285 -1.388 -1.379 176 HD22 LEU 22 1HD2 LEU 22 9.110 -0.888 -3.061 177 HD23 LEU 22 2HD2 LEU 22 10.701 -1.306 -2.427 178 H LYS 23 H LYS 23 11.798 -1.950 -6.384 179 HA LYS 23 HA LYS 23 12.085 0.648 -5.340 180 HB2 LYS 23 2HB LYS 23 13.973 -0.690 -6.158 181 HB3 LYS 23 1HB LYS 23 13.344 -0.586 -7.796 182 HG2 LYS 23 2HG LYS 23 13.672 1.831 -7.777 183 HG3 LYS 23 1HG LYS 23 14.291 1.734 -6.129 184 HD2 LYS 23 2HD LYS 23 16.152 1.863 -7.643 185 HD3 LYS 23 1HD LYS 23 16.098 0.240 -6.955 186 HE2 LYS 23 2HE LYS 23 15.003 -0.584 -8.979 187 HE3 LYS 23 1HE LYS 23 15.040 1.040 -9.665 188 HZ1 LYS 23 3HZ LYS 23 17.466 0.967 -9.569 189 HZ2 LYS 23 1HZ LYS 23 16.847 -0.285 -10.525 190 HZ3 LYS 23 2HZ LYS 23 17.407 -0.610 -8.963 191 H ARG 24 H ARG 24 10.609 -0.575 -8.278 192 HA ARG 24 HA ARG 24 10.336 1.975 -9.535 193 HB2 ARG 24 2HB ARG 24 10.359 -0.160 -10.792 194 HB3 ARG 24 1HB ARG 24 8.814 -0.581 -10.067 195 HG2 ARG 24 2HG ARG 24 7.756 1.310 -11.153 196 HG3 ARG 24 1HG ARG 24 9.307 1.811 -11.829 197 HD2 ARG 24 2HD ARG 24 9.438 -0.291 -13.077 198 HD3 ARG 24 1HD ARG 24 7.889 -0.789 -12.399 199 HE ARG 24 HE ARG 24 7.374 1.610 -13.597 200 HH11 ARG 24 1HH1 ARG 24 8.718 -1.431 -14.640 201 HH12 ARG 24 2HH1 ARG 24 8.157 -1.266 -16.270 202 HH21 ARG 24 1HH2 ARG 24 6.630 1.833 -15.740 203 HH22 ARG 24 2HH2 ARG 24 6.970 0.589 -16.895 204 H PHE 25 H PHE 25 8.086 -0.159 -7.795 205 HA PHE 25 HA PHE 25 5.800 1.412 -7.994 206 HB2 PHE 25 2HB PHE 25 5.593 -0.818 -7.175 207 HB3 PHE 25 1HB PHE 25 6.711 -0.509 -5.851 208 HD1 PHE 25 1HD PHE 25 3.407 0.586 -7.176 209 HD2 PHE 25 2HD PHE 25 5.887 0.021 -3.763 210 HE1 PHE 25 1HE PHE 25 1.514 1.151 -5.712 211 HE2 PHE 25 2HE PHE 25 3.995 0.585 -2.291 212 HZ PHE 25 HZ PHE 25 1.805 1.149 -3.266 213 H LYS 26 H LYS 26 8.155 1.313 -5.326 214 HA LYS 26 HA LYS 26 7.059 3.298 -3.731 215 HB2 LYS 26 2HB LYS 26 9.039 1.704 -3.296 216 HB3 LYS 26 1HB LYS 26 10.026 2.943 -4.052 217 HG2 LYS 26 2HG LYS 26 9.790 4.398 -2.317 218 HG3 LYS 26 1HG LYS 26 8.210 3.763 -1.855 219 HD2 LYS 26 2HD LYS 26 10.803 2.271 -1.480 220 HD3 LYS 26 1HD LYS 26 10.040 3.256 -0.229 221 HE2 LYS 26 2HE LYS 26 8.009 1.842 -0.435 222 HE3 LYS 26 1HE LYS 26 8.880 0.817 -1.572 223 HZ1 LYS 26 3HZ LYS 26 10.412 0.200 0.119 224 HZ2 LYS 26 1HZ LYS 26 8.859 -0.011 0.751 225 HZ3 LYS 26 2HZ LYS 26 9.783 1.331 1.206 226 H TYR 27 H TYR 27 9.269 3.570 -6.457 227 HA TYR 27 HA TYR 27 9.675 6.379 -6.192 228 HB2 TYR 27 2HB TYR 27 11.319 4.974 -7.313 229 HB3 TYR 27 1HB TYR 27 10.132 4.517 -8.529 230 HD1 TYR 27 2HD TYR 27 12.061 7.391 -7.193 231 HD2 TYR 27 1HD TYR 27 9.811 5.838 -10.453 232 HE1 TYR 27 2HE TYR 27 12.759 9.300 -8.578 233 HE2 TYR 27 1HE TYR 27 10.503 7.742 -11.847 234 HH TYR 27 HH TYR 27 11.303 10.054 -11.542 235 H PHE 28 H PHE 28 7.241 4.405 -7.644 236 HA PHE 28 HA PHE 28 6.279 6.388 -9.476 237 HB2 PHE 28 2HB PHE 28 6.000 3.768 -9.488 238 HB3 PHE 28 1HB PHE 28 4.568 4.129 -8.530 239 HD1 PHE 28 2HD PHE 28 6.200 4.606 -11.786 240 HD2 PHE 28 1HD PHE 28 2.635 5.101 -9.519 241 HE1 PHE 28 2HE PHE 28 4.958 5.098 -13.854 242 HE2 PHE 28 1HE PHE 28 1.385 5.591 -11.580 243 HZ PHE 28 HZ PHE 28 2.546 5.592 -13.752 244 H ALA 29 H ALA 29 4.954 5.023 -6.449 245 HA ALA 29 HA ALA 29 2.865 6.951 -6.289 246 HB1 ALA 29 1HB ALA 29 2.483 6.049 -4.039 247 HB2 ALA 29 2HB ALA 29 3.986 5.134 -4.157 248 HB3 ALA 29 3HB ALA 29 2.643 4.768 -5.240 249 H LEU 30 H LEU 30 5.895 6.529 -4.464 250 HA LEU 30 HA LEU 30 5.612 9.249 -3.419 251 HB2 LEU 30 2HB LEU 30 7.733 7.236 -2.692 252 HB3 LEU 30 1HB LEU 30 7.256 8.667 -1.798 253 HG LEU 30 HG LEU 30 4.971 6.977 -2.096 254 HD11 LEU 30 1HD1 LEU 30 7.459 5.620 -1.091 255 HD12 LEU 30 2HD1 LEU 30 6.392 5.097 -2.394 256 HD13 LEU 30 3HD1 LEU 30 5.826 5.068 -0.723 257 HD21 LEU 30 3HD2 LEU 30 5.144 6.975 0.405 258 HD22 LEU 30 1HD2 LEU 30 5.139 8.573 -0.343 259 HD23 LEU 30 2HD2 LEU 30 6.651 7.875 0.233 260 H THR 31 H THR 31 6.165 10.477 -5.213 261 HA THR 31 HA THR 31 8.735 10.014 -6.502 262 HB THR 31 HB THR 31 8.091 11.740 -8.079 263 HG1 THR 31 1HG THR 31 6.109 12.243 -6.149 264 HG21 THR 31 3HG2 THR 31 7.223 9.510 -8.490 265 HG22 THR 31 1HG2 THR 31 6.038 10.717 -8.987 266 HG23 THR 31 2HG2 THR 31 5.823 9.842 -7.471 267 H GLU 32 H GLU 32 7.092 12.625 -4.729 268 HA GLU 32 HA GLU 32 9.596 14.109 -4.565 269 HB2 GLU 32 2HB GLU 32 6.861 14.880 -3.543 270 HB3 GLU 32 1HB GLU 32 8.261 15.934 -3.698 271 HG2 GLU 32 2HG GLU 32 6.762 14.626 -5.956 272 HG3 GLU 32 1HG GLU 32 6.681 16.324 -5.490 273 H PHE 33 H PHE 33 7.931 11.825 -2.719 274 HA PHE 33 HA PHE 33 8.651 12.874 -0.132 275 HB2 PHE 33 2HB PHE 33 7.629 10.150 -0.954 276 HB3 PHE 33 1HB PHE 33 7.851 10.675 0.711 277 HD1 PHE 33 1HD PHE 33 6.672 13.041 1.203 278 HD2 PHE 33 2HD PHE 33 5.506 10.256 -1.793 279 HE1 PHE 33 1HE PHE 33 4.404 13.998 1.202 280 HE2 PHE 33 2HE PHE 33 3.237 11.206 -1.801 281 HZ PHE 33 HZ PHE 33 2.684 13.079 -0.302 282 H GLN 34 H GLN 34 10.114 10.861 -2.521 283 HA GLN 34 HA GLN 34 12.015 9.585 -2.557 284 HB2 GLN 34 2HB GLN 34 12.815 11.942 -2.608 285 HB3 GLN 34 1HB GLN 34 13.029 11.872 -0.865 286 HG2 GLN 34 2HG GLN 34 14.662 10.069 -1.143 287 HG3 GLN 34 1HG GLN 34 14.459 10.168 -2.892 288 HE21 GLN 34 1HE2 GLN 34 15.302 11.925 -4.005 289 HE22 GLN 34 2HE2 GLN 34 16.467 12.990 -3.302 290 H ILE 35 H ILE 35 10.810 8.023 -1.055 291 HA ILE 35 HA ILE 35 11.680 7.952 1.681 292 HB ILE 35 HB ILE 35 10.057 6.098 -0.031 293 HG12 ILE 35 2HG1 ILE 35 9.567 7.616 2.541 294 HG13 ILE 35 1HG1 ILE 35 8.917 7.999 0.951 295 HG21 ILE 35 1HG2 ILE 35 9.835 4.574 1.898 296 HG22 ILE 35 2HG2 ILE 35 11.101 5.474 2.729 297 HG23 ILE 35 3HG2 ILE 35 11.470 4.605 1.240 298 HD11 ILE 35 3HD1 ILE 35 7.193 6.991 2.248 299 HD12 ILE 35 1HD1 ILE 35 8.235 5.635 2.676 300 HD13 ILE 35 2HD1 ILE 35 7.690 5.835 1.012 301 H ALA 36 H ALA 36 13.430 7.034 2.500 302 HA ALA 36 HA ALA 36 15.618 6.252 1.033 303 HB1 ALA 36 1HB ALA 36 15.728 6.870 3.386 304 HB2 ALA 36 2HB ALA 36 16.509 5.312 3.108 305 HB3 ALA 36 3HB ALA 36 14.900 5.376 3.826 306 H ARG 37 H ARG 37 16.302 4.453 0.050 307 HA ARG 37 HA ARG 37 14.529 2.302 -0.431 308 HB2 ARG 37 2HB ARG 37 16.438 1.268 -1.611 309 HB3 ARG 37 1HB ARG 37 16.175 2.939 -2.089 310 HG2 ARG 37 2HG ARG 37 18.033 3.677 -0.779 311 HG3 ARG 37 1HG ARG 37 18.231 2.072 -0.071 312 HD2 ARG 37 2HD ARG 37 18.799 1.158 -2.248 313 HD3 ARG 37 1HD ARG 37 18.535 2.731 -2.998 314 HE ARG 37 HE ARG 37 20.449 3.060 -1.003 315 HH11 ARG 37 1HH1 ARG 37 20.097 1.376 -4.034 316 HH12 ARG 37 2HH1 ARG 37 21.785 1.443 -4.414 317 HH21 ARG 37 1HH2 ARG 37 22.673 3.151 -1.497 318 HH22 ARG 37 2HH2 ARG 37 23.249 2.452 -2.973 319 H SER 38 H SER 38 16.849 2.895 2.030 320 HA SER 38 HA SER 38 17.437 0.207 2.727 321 HB2 SER 38 2HB SER 38 17.572 2.727 4.399 322 HB3 SER 38 1HB SER 38 18.290 1.176 4.837 323 HG SER 38 HG SER 38 19.017 2.958 2.780 324 H THR 39 H THR 39 14.821 2.371 3.492 325 HA THR 39 HA THR 39 13.855 1.042 5.794 326 HB THR 39 HB THR 39 11.808 2.298 5.500 327 HG1 THR 39 1HG THR 39 12.002 1.980 3.043 328 HG21 THR 39 3HG2 THR 39 13.742 3.512 6.366 329 HG22 THR 39 1HG2 THR 39 12.722 4.572 5.393 330 HG23 THR 39 2HG2 THR 39 14.224 3.936 4.724 331 H LEU 40 H LEU 40 13.733 0.216 2.483 332 HA LEU 40 HA LEU 40 11.350 -1.051 2.082 333 HB2 LEU 40 2HB LEU 40 14.101 -1.472 1.106 334 HB3 LEU 40 1HB LEU 40 13.013 -2.830 0.900 335 HG LEU 40 HG LEU 40 11.433 -1.306 -0.298 336 HD11 LEU 40 1HD1 LEU 40 12.150 0.844 -1.043 337 HD12 LEU 40 2HD1 LEU 40 13.745 0.619 -0.327 338 HD13 LEU 40 3HD1 LEU 40 12.331 0.791 0.711 339 HD21 LEU 40 3HD2 LEU 40 14.206 -1.556 -1.455 340 HD22 LEU 40 1HD2 LEU 40 12.733 -1.244 -2.372 341 HD23 LEU 40 2HD2 LEU 40 12.934 -2.776 -1.522 342 H ASP 41 H ASP 41 13.828 -2.019 4.294 343 HA ASP 41 HA ASP 41 13.362 -4.746 4.529 344 HB2 ASP 41 2HB ASP 41 15.206 -3.535 5.651 345 HB3 ASP 41 1HB ASP 41 14.042 -2.823 6.765 346 H VAL 42 H VAL 42 11.848 -2.127 6.430 347 HA VAL 42 HA VAL 42 9.599 -3.960 6.984 348 HB VAL 42 HB VAL 42 9.253 -2.585 9.080 349 HG11 VAL 42 1HG1 VAL 42 10.931 -3.824 10.368 350 HG12 VAL 42 2HG1 VAL 42 11.790 -4.207 8.876 351 HG13 VAL 42 3HG1 VAL 42 10.170 -4.846 9.148 352 HG21 VAL 42 3HG2 VAL 42 12.072 -1.705 8.484 353 HG22 VAL 42 1HG2 VAL 42 11.175 -1.379 9.967 354 HG23 VAL 42 2HG2 VAL 42 10.636 -0.681 8.439 355 H ALA 43 H ALA 43 10.250 -1.644 5.008 356 HA ALA 43 HA ALA 43 8.662 0.550 5.534 357 HB1 ALA 43 1HB ALA 43 8.609 0.935 3.131 358 HB2 ALA 43 2HB ALA 43 9.220 -0.697 2.861 359 HB3 ALA 43 3HB ALA 43 10.223 0.495 3.688 360 H ASP 44 H ASP 44 7.685 -2.614 4.460 361 HA ASP 44 HA ASP 44 5.203 -1.935 3.368 362 HB2 ASP 44 2HB ASP 44 4.561 -4.275 3.844 363 HB3 ASP 44 1HB ASP 44 6.139 -4.146 3.077 364 H ARG 45 H ARG 45 5.899 -3.029 6.715 365 HA ARG 45 HA ARG 45 3.194 -2.433 7.484 366 HB2 ARG 45 2HB ARG 45 3.983 -3.117 9.768 367 HB3 ARG 45 1HB ARG 45 4.118 -4.332 8.506 368 HG2 ARG 45 2HG ARG 45 6.529 -3.704 8.275 369 HG3 ARG 45 1HG ARG 45 6.332 -2.681 9.699 370 HD2 ARG 45 2HD ARG 45 5.603 -4.651 10.983 371 HD3 ARG 45 1HD ARG 45 5.877 -5.659 9.564 372 HE ARG 45 HE ARG 45 8.222 -4.220 10.200 373 HH11 ARG 45 1HH1 ARG 45 6.273 -6.890 11.303 374 HH12 ARG 45 2HH1 ARG 45 7.598 -7.715 12.055 375 HH21 ARG 45 1HH2 ARG 45 9.973 -5.300 11.191 376 HH22 ARG 45 2HH2 ARG 45 9.700 -6.810 11.993 377 H THR 46 H THR 46 6.318 -1.189 8.702 378 HA THR 46 HA THR 46 4.975 0.861 10.208 379 HB THR 46 HB THR 46 7.926 0.389 9.882 380 HG1 THR 46 1HG THR 46 6.961 -1.410 10.822 381 HG21 THR 46 3HG2 THR 46 7.414 2.631 10.706 382 HG22 THR 46 1HG2 THR 46 8.099 1.638 11.993 383 HG23 THR 46 2HG2 THR 46 6.363 1.947 11.946 384 H GLU 47 H GLU 47 7.504 1.073 7.673 385 HA GLU 47 HA GLU 47 7.517 3.907 7.735 386 HB2 GLU 47 2HB GLU 47 9.051 1.839 6.585 387 HB3 GLU 47 1HB GLU 47 8.607 2.946 5.285 388 HG2 GLU 47 2HG GLU 47 10.705 3.632 6.205 389 HG3 GLU 47 1HG GLU 47 9.480 4.821 6.646 390 H LEU 48 H LEU 48 6.464 1.808 5.029 391 HA LEU 48 HA LEU 48 5.493 3.918 3.476 392 HB2 LEU 48 2HB LEU 48 4.867 0.984 3.480 393 HB3 LEU 48 1HB LEU 48 4.082 2.087 2.368 394 HG LEU 48 HG LEU 48 7.065 1.669 2.546 395 HD11 LEU 48 1HD1 LEU 48 6.819 0.486 0.422 396 HD12 LEU 48 2HD1 LEU 48 5.068 0.655 0.529 397 HD13 LEU 48 3HD1 LEU 48 5.934 -0.321 1.716 398 HD21 LEU 48 3HD2 LEU 48 7.147 2.966 0.496 399 HD22 LEU 48 1HD2 LEU 48 6.393 3.906 1.782 400 HD23 LEU 48 2HD2 LEU 48 5.396 3.166 0.529 401 H ALA 49 H ALA 49 3.672 1.669 5.533 402 HA ALA 49 HA ALA 49 1.129 2.633 5.069 403 HB1 ALA 49 1HB ALA 49 1.648 0.603 6.351 404 HB2 ALA 49 2HB ALA 49 0.485 1.643 7.173 405 HB3 ALA 49 3HB ALA 49 2.167 1.609 7.703 406 H ASP 50 H ASP 50 3.288 3.672 7.721 407 HA ASP 50 HA ASP 50 1.519 5.668 8.672 408 HB2 ASP 50 2HB ASP 50 3.242 4.674 10.093 409 HB3 ASP 50 1HB ASP 50 4.500 5.378 9.082 410 H HIS 51 H HIS 51 4.126 5.747 6.305 411 HA HIS 51 HA HIS 51 4.386 8.572 6.219 412 HB2 HIS 51 2HB HIS 51 6.098 6.910 5.431 413 HB3 HIS 51 1HB HIS 51 5.089 6.634 4.016 414 HD1 HIS 51 1HD HIS 51 7.634 8.935 5.375 415 HD2 HIS 51 2HD HIS 51 4.854 8.903 2.288 416 HE1 HIS 51 1HE HIS 51 8.289 10.813 3.811 417 H LEU 52 H LEU 52 2.827 6.345 3.886 418 HA LEU 52 HA LEU 52 1.892 8.226 2.112 419 HB2 LEU 52 2HB LEU 52 0.056 6.578 1.596 420 HB3 LEU 52 1HB LEU 52 1.698 5.980 1.479 421 HG LEU 52 HG LEU 52 1.226 5.172 3.953 422 HD11 LEU 52 1HD1 LEU 52 -1.535 5.162 2.754 423 HD12 LEU 52 2HD1 LEU 52 -1.003 6.233 4.049 424 HD13 LEU 52 3HD1 LEU 52 -1.052 4.491 4.311 425 HD21 LEU 52 3HD2 LEU 52 0.561 3.013 3.048 426 HD22 LEU 52 1HD2 LEU 52 1.812 3.752 2.047 427 HD23 LEU 52 2HD2 LEU 52 0.130 3.775 1.517 428 H ILE 53 H ILE 53 0.531 7.389 5.235 429 HA ILE 53 HA ILE 53 -2.021 8.456 4.971 430 HB ILE 53 HB ILE 53 -0.242 8.455 7.410 431 HG12 ILE 53 2HG1 ILE 53 -2.478 6.582 6.603 432 HG13 ILE 53 1HG1 ILE 53 -0.765 6.235 6.400 433 HG21 ILE 53 1HG2 ILE 53 -1.998 10.100 7.682 434 HG22 ILE 53 2HG2 ILE 53 -2.335 8.694 8.693 435 HG23 ILE 53 3HG2 ILE 53 -3.213 8.924 7.180 436 HD11 ILE 53 3HD1 ILE 53 -0.470 6.391 8.835 437 HD12 ILE 53 1HD1 ILE 53 -1.612 5.133 8.365 438 HD13 ILE 53 2HD1 ILE 53 -2.204 6.665 9.005 439 H GLN 54 H GLN 54 1.003 10.099 5.815 440 HA GLN 54 HA GLN 54 -0.101 12.607 6.413 441 HB2 GLN 54 2HB GLN 54 2.202 11.953 6.986 442 HB3 GLN 54 1HB GLN 54 2.630 11.976 5.281 443 HG2 GLN 54 2HG GLN 54 2.149 14.368 5.190 444 HG3 GLN 54 1HG GLN 54 1.718 14.344 6.898 445 HE21 GLN 54 1HE2 GLN 54 3.313 15.823 7.431 446 HE22 GLN 54 2HE2 GLN 54 4.989 15.410 7.452 447 H SER 55 H SER 55 0.567 11.065 3.367 448 HA SER 55 HA SER 55 0.633 13.414 1.773 449 HB2 SER 55 2HB SER 55 1.591 11.303 0.995 450 HB3 SER 55 1HB SER 55 -0.010 10.563 0.992 451 HG SER 55 HG SER 55 0.847 12.749 -0.605 452 H ALA 56 H ALA 56 -1.943 10.941 2.106 453 HA ALA 56 HA ALA 56 -3.878 13.064 1.434 454 HB1 ALA 56 1HB ALA 56 -3.590 11.511 -0.440 455 HB2 ALA 56 2HB ALA 56 -5.217 11.433 0.234 456 HB3 ALA 56 3HB ALA 56 -4.046 10.170 0.610 457 H GLY 57 H GLY 57 -3.241 10.131 3.261 458 HA2 GLY 57 2HA GLY 57 -4.328 10.587 5.612 459 HA3 GLY 57 1HA GLY 57 -5.797 10.382 4.668 460 H ALA 58 H ALA 58 -5.834 8.645 6.517 461 HA ALA 58 HA ALA 58 -4.245 6.314 6.139 462 HB1 ALA 58 1HB ALA 58 -5.277 6.872 8.295 463 HB2 ALA 58 2HB ALA 58 -5.737 5.260 7.744 464 HB3 ALA 58 3HB ALA 58 -6.872 6.602 7.593 465 H ALA 59 H ALA 59 -7.779 6.598 5.813 466 HA ALA 59 HA ALA 59 -7.984 4.310 4.156 467 HB1 ALA 59 1HB ALA 59 -9.982 6.521 4.606 468 HB2 ALA 59 2HB ALA 59 -9.812 5.066 5.588 469 HB3 ALA 59 3HB ALA 59 -10.323 4.940 3.904 470 H SER 60 H SER 60 -7.702 7.742 3.498 471 HA SER 60 HA SER 60 -8.504 7.732 0.808 472 HB2 SER 60 2HB SER 60 -8.283 9.798 2.091 473 HB3 SER 60 1HB SER 60 -6.541 9.558 2.210 474 HG SER 60 HG SER 60 -7.601 10.950 0.423 475 H ALA 61 H ALA 61 -5.229 7.492 2.203 476 HA ALA 61 HA ALA 61 -3.950 7.244 -0.323 477 HB1 ALA 61 1HB ALA 61 -1.951 6.682 0.949 478 HB2 ALA 61 2HB ALA 61 -2.925 6.504 2.410 479 HB3 ALA 61 3HB ALA 61 -2.774 8.083 1.637 480 H VAL 62 H VAL 62 -4.986 4.864 2.100 481 HA VAL 62 HA VAL 62 -3.811 2.611 0.924 482 HB VAL 62 HB VAL 62 -6.317 2.820 2.599 483 HG11 VAL 62 1HG1 VAL 62 -6.442 0.762 1.356 484 HG12 VAL 62 2HG1 VAL 62 -5.984 0.390 3.019 485 HG13 VAL 62 3HG1 VAL 62 -4.765 0.379 1.744 486 HG21 VAL 62 3HG2 VAL 62 -4.905 2.132 4.428 487 HG22 VAL 62 1HG2 VAL 62 -4.190 3.545 3.650 488 HG23 VAL 62 2HG2 VAL 62 -3.529 1.940 3.342 489 H THR 63 H THR 63 -6.746 4.340 0.150 490 HA THR 63 HA THR 63 -7.897 2.319 -1.496 491 HB THR 63 HB THR 63 -8.395 5.304 -1.503 492 HG1 THR 63 1HG THR 63 -9.817 3.185 -0.226 493 HG21 THR 63 3HG2 THR 63 -10.039 3.033 -2.633 494 HG22 THR 63 1HG2 THR 63 -9.162 4.244 -3.569 495 HG23 THR 63 2HG2 THR 63 -10.532 4.726 -2.566 496 H LYS 64 H LYS 64 -6.257 5.387 -2.311 497 HA LYS 64 HA LYS 64 -6.179 4.963 -5.083 498 HB2 LYS 64 2HB LYS 64 -4.452 6.711 -5.120 499 HB3 LYS 64 1HB LYS 64 -5.813 7.161 -4.101 500 HG2 LYS 64 2HG LYS 64 -4.599 6.954 -2.153 501 HG3 LYS 64 1HG LYS 64 -3.423 5.858 -2.880 502 HD2 LYS 64 2HD LYS 64 -2.518 7.698 -4.202 503 HD3 LYS 64 1HD LYS 64 -3.702 8.798 -3.494 504 HE2 LYS 64 2HE LYS 64 -1.534 9.022 -2.402 505 HE3 LYS 64 1HE LYS 64 -2.748 8.406 -1.280 506 HZ1 LYS 64 3HZ LYS 64 -1.883 6.168 -1.656 507 HZ2 LYS 64 1HZ LYS 64 -0.683 7.197 -1.052 508 HZ3 LYS 64 2HZ LYS 64 -0.697 6.785 -2.692 509 H ALA 65 H ALA 65 -4.028 3.943 -2.515 510 HA ALA 65 HA ALA 65 -1.754 3.259 -3.940 511 HB1 ALA 65 1HB ALA 65 -1.268 1.685 -2.137 512 HB2 ALA 65 2HB ALA 65 -2.937 1.800 -1.578 513 HB3 ALA 65 3HB ALA 65 -1.881 3.211 -1.499 514 H ILE 66 H ILE 66 -4.827 1.647 -3.725 515 HA ILE 66 HA ILE 66 -4.056 -0.884 -4.708 516 HB ILE 66 HB ILE 66 -6.731 0.506 -4.898 517 HG12 ILE 66 2HG1 ILE 66 -5.945 0.198 -2.590 518 HG13 ILE 66 1HG1 ILE 66 -7.324 -0.841 -2.936 519 HG21 ILE 66 1HG2 ILE 66 -6.006 -2.388 -5.325 520 HG22 ILE 66 2HG2 ILE 66 -6.619 -1.260 -6.534 521 HG23 ILE 66 3HG2 ILE 66 -7.651 -1.768 -5.196 522 HD11 ILE 66 3HD1 ILE 66 -4.441 -1.708 -2.902 523 HD12 ILE 66 1HD1 ILE 66 -5.835 -2.745 -3.203 524 HD13 ILE 66 2HD1 ILE 66 -5.623 -1.989 -1.624 525 H ASN 67 H ASN 67 -5.301 2.013 -6.341 526 HA ASN 67 HA ASN 67 -5.406 0.875 -8.925 527 HB2 ASN 67 2HB ASN 67 -5.200 3.760 -8.052 528 HB3 ASN 67 1HB ASN 67 -5.522 3.243 -9.704 529 HD21 ASN 67 1HD2 ASN 67 -7.523 4.201 -9.790 530 HD22 ASN 67 2HD2 ASN 67 -8.885 3.609 -8.906 531 H ILE 68 H ILE 68 -2.945 2.899 -7.344 532 HA ILE 68 HA ILE 68 -1.212 3.092 -9.547 533 HB ILE 68 HB ILE 68 -0.498 3.165 -6.611 534 HG12 ILE 68 2HG1 ILE 68 -1.136 5.444 -8.500 535 HG13 ILE 68 1HG1 ILE 68 -2.252 4.798 -7.301 536 HG21 ILE 68 1HG2 ILE 68 1.455 2.831 -8.021 537 HG22 ILE 68 2HG2 ILE 68 1.457 4.458 -7.341 538 HG23 ILE 68 3HG2 ILE 68 0.987 4.206 -9.022 539 HD11 ILE 68 3HD1 ILE 68 -1.222 6.817 -6.485 540 HD12 ILE 68 1HD1 ILE 68 0.384 6.140 -6.749 541 HD13 ILE 68 2HD1 ILE 68 -0.677 5.439 -5.527 542 H PHE 69 H PHE 69 -1.225 0.805 -6.821 543 HA PHE 69 HA PHE 69 1.096 -0.594 -7.636 544 HB2 PHE 69 2HB PHE 69 0.310 -0.668 -5.331 545 HB3 PHE 69 1HB PHE 69 -1.171 -1.472 -5.839 546 HD1 PHE 69 2HD PHE 69 2.527 -1.888 -5.890 547 HD2 PHE 69 1HD PHE 69 -1.286 -3.777 -5.818 548 HE1 PHE 69 2HE PHE 69 3.619 -4.075 -5.605 549 HE2 PHE 69 1HE PHE 69 -0.200 -5.967 -5.531 550 HZ PHE 69 HZ PHE 69 2.255 -6.118 -5.424 551 H GLN 70 H GLN 70 -2.365 -1.297 -8.078 552 HA GLN 70 HA GLN 70 -2.049 -3.804 -9.275 553 HB2 GLN 70 2HB GLN 70 -4.327 -3.617 -9.986 554 HB3 GLN 70 1HB GLN 70 -4.192 -2.864 -8.409 555 HG2 GLN 70 2HG GLN 70 -4.170 -0.661 -9.466 556 HG3 GLN 70 1HG GLN 70 -4.320 -1.423 -11.047 557 HE21 GLN 70 1HE2 GLN 70 -6.267 -2.388 -11.628 558 HE22 GLN 70 2HE2 GLN 70 -7.740 -2.061 -10.789 559 H LYS 71 H LYS 71 -2.545 -0.663 -10.865 560 HA LYS 71 HA LYS 71 -2.273 -1.635 -13.491 561 HB2 LYS 71 2HB LYS 71 -2.054 1.109 -12.279 562 HB3 LYS 71 1HB LYS 71 -1.853 0.836 -14.003 563 HG2 LYS 71 2HG LYS 71 -4.285 -0.271 -12.724 564 HG3 LYS 71 1HG LYS 71 -4.187 1.480 -12.916 565 HD2 LYS 71 2HD LYS 71 -5.239 0.745 -14.872 566 HD3 LYS 71 1HD LYS 71 -3.559 0.987 -15.352 567 HE2 LYS 71 2HE LYS 71 -4.418 -1.095 -16.266 568 HE3 LYS 71 1HE LYS 71 -3.145 -1.414 -15.088 569 HZ1 LYS 71 3HZ LYS 71 -4.850 -1.909 -13.441 570 HZ2 LYS 71 1HZ LYS 71 -5.010 -2.915 -14.794 571 HZ3 LYS 71 2HZ LYS 71 -6.066 -1.611 -14.580 572 H LEU 72 H LEU 72 0.118 -1.383 -11.144 573 HA LEU 72 HA LEU 72 2.188 -0.777 -13.153 574 HB2 LEU 72 2HB LEU 72 1.811 -0.184 -10.339 575 HB3 LEU 72 1HB LEU 72 3.402 -0.823 -10.687 576 HG LEU 72 HG LEU 72 3.302 1.642 -10.701 577 HD11 LEU 72 1HD1 LEU 72 5.014 0.481 -11.990 578 HD12 LEU 72 2HD1 LEU 72 4.511 1.967 -12.796 579 HD13 LEU 72 3HD1 LEU 72 3.928 0.407 -13.377 580 HD21 LEU 72 3HD2 LEU 72 2.199 2.797 -12.554 581 HD22 LEU 72 1HD2 LEU 72 1.040 1.926 -11.551 582 HD23 LEU 72 2HD2 LEU 72 1.529 1.263 -13.109 583 H ASN 73 H ASN 73 1.453 -3.122 -10.555 584 HA ASN 73 HA ASN 73 3.599 -4.789 -11.703 585 HB2 ASN 73 2HB ASN 73 3.905 -3.711 -9.353 586 HB3 ASN 73 1HB ASN 73 2.842 -5.007 -8.819 587 HD21 ASN 73 1HD2 ASN 73 3.879 -6.859 -10.861 588 HD22 ASN 73 2HD2 ASN 73 5.429 -7.356 -10.289 589 H TYR 74 H TYR 74 0.605 -5.026 -9.778 590 HA TYR 74 HA TYR 74 0.100 -7.597 -11.104 591 HB2 TYR 74 2HB TYR 74 0.177 -7.153 -8.133 592 HB3 TYR 74 1HB TYR 74 -0.678 -8.509 -8.858 593 HD1 TYR 74 1HD TYR 74 0.752 -9.950 -10.537 594 HD2 TYR 74 2HD TYR 74 2.395 -7.430 -7.531 595 HE1 TYR 74 1HE TYR 74 2.843 -11.242 -10.606 596 HE2 TYR 74 2HE TYR 74 4.491 -8.714 -7.593 597 HH TYR 74 HH TYR 74 5.198 -10.964 -10.052 598 H MET 75 H MET 75 -1.360 -5.814 -12.148 599 HA MET 75 HA MET 75 -3.590 -4.777 -10.903 600 HB2 MET 75 2HB MET 75 -4.657 -4.755 -13.115 601 HB3 MET 75 1HB MET 75 -2.984 -4.221 -13.200 602 HG2 MET 75 2HG MET 75 -2.343 -6.483 -13.962 603 HG3 MET 75 1HG MET 75 -4.049 -6.925 -13.974 604 HE1 MET 75 3HE MET 75 -2.218 -7.333 -16.451 605 HE2 MET 75 1HE MET 75 -3.156 -6.660 -17.785 606 HE3 MET 75 2HE MET 75 -3.948 -7.651 -16.560 607 H HIS 76 H HIS 76 -2.875 -8.062 -11.574 608 HA HIS 76 HA HIS 76 -5.603 -8.992 -11.488 609 HB2 HIS 76 2HB HIS 76 -2.957 -10.449 -11.421 610 HB3 HIS 76 1HB HIS 76 -4.520 -11.260 -11.409 611 HD1 HIS 76 1HD HIS 76 -5.655 -11.595 -13.657 612 HD2 HIS 76 2HD HIS 76 -2.383 -9.041 -13.842 613 HE1 HIS 76 1HE HIS 76 -5.224 -11.171 -16.113 614 H ILE 77 H ILE 77 -2.781 -9.236 -9.329 615 HA ILE 77 HA ILE 77 -4.070 -10.583 -7.231 616 HB ILE 77 HB ILE 77 -1.657 -8.771 -7.213 617 HG12 ILE 77 2HG1 ILE 77 -1.963 -11.781 -7.147 618 HG13 ILE 77 1HG1 ILE 77 -1.407 -10.824 -8.516 619 HG21 ILE 77 1HG2 ILE 77 -2.644 -10.557 -4.991 620 HG22 ILE 77 2HG2 ILE 77 -2.664 -8.795 -4.985 621 HG23 ILE 77 3HG2 ILE 77 -1.127 -9.657 -5.004 622 HD11 ILE 77 3HD1 ILE 77 0.484 -11.831 -7.474 623 HD12 ILE 77 1HD1 ILE 77 -0.003 -11.232 -5.888 624 HD13 ILE 77 2HD1 ILE 77 0.529 -10.102 -7.132 625 H ALA 78 H ALA 78 -3.428 -7.106 -7.646 626 HA ALA 78 HA ALA 78 -4.535 -6.221 -5.250 627 HB1 ALA 78 1HB ALA 78 -4.505 -4.743 -7.872 628 HB2 ALA 78 2HB ALA 78 -3.151 -4.841 -6.745 629 HB3 ALA 78 3HB ALA 78 -4.645 -4.034 -6.264 630 H ASN 79 H ASN 79 -6.103 -7.146 -8.237 631 HA ASN 79 HA ASN 79 -8.556 -5.896 -8.001 632 HB2 ASN 79 2HB ASN 79 -7.960 -7.190 -9.968 633 HB3 ASN 79 1HB ASN 79 -7.956 -8.677 -9.026 634 HD21 ASN 79 1HD2 ASN 79 -9.908 -6.225 -10.509 635 HD22 ASN 79 2HD2 ASN 79 -11.413 -7.065 -10.394 636 H ALA 80 H ALA 80 -7.377 -8.759 -6.331 637 HA ALA 80 HA ALA 80 -9.894 -9.447 -5.173 638 HB1 ALA 80 1HB ALA 80 -8.616 -10.991 -3.789 639 HB2 ALA 80 2HB ALA 80 -7.113 -10.232 -4.314 640 HB3 ALA 80 3HB ALA 80 -8.116 -11.099 -5.477 641 H LEU 81 H LEU 81 -7.218 -7.398 -4.246 642 HA LEU 81 HA LEU 81 -7.981 -7.106 -1.518 643 HB2 LEU 81 2HB LEU 81 -6.090 -5.611 -3.304 644 HB3 LEU 81 1HB LEU 81 -6.405 -5.091 -1.660 645 HG LEU 81 HG LEU 81 -4.374 -6.376 -1.697 646 HD11 LEU 81 1HD1 LEU 81 -5.781 -6.652 0.267 647 HD12 LEU 81 2HD1 LEU 81 -4.919 -8.146 -0.099 648 HD13 LEU 81 3HD1 LEU 81 -6.626 -7.991 -0.510 649 HD21 LEU 81 3HD2 LEU 81 -4.796 -7.633 -3.755 650 HD22 LEU 81 1HD2 LEU 81 -5.993 -8.613 -2.907 651 HD23 LEU 81 2HD2 LEU 81 -4.295 -8.690 -2.435 652 H GLU 82 H GLU 82 -8.533 -5.115 -4.418 653 HA GLU 82 HA GLU 82 -9.605 -2.879 -3.164 654 HB2 GLU 82 2HB GLU 82 -10.671 -2.337 -5.265 655 HB3 GLU 82 1HB GLU 82 -9.068 -2.988 -5.573 656 HG2 GLU 82 2HG GLU 82 -10.017 -5.119 -6.192 657 HG3 GLU 82 1HG GLU 82 -11.635 -4.541 -5.801 658 H GLU 83 H GLU 83 -10.984 -6.019 -3.630 659 HA GLU 83 HA GLU 83 -13.712 -5.295 -3.274 660 HB2 GLU 83 2HB GLU 83 -12.326 -7.940 -2.794 661 HB3 GLU 83 1HB GLU 83 -14.067 -7.705 -2.867 662 HG2 GLU 83 2HG GLU 83 -12.124 -7.229 -5.116 663 HG3 GLU 83 1HG GLU 83 -13.202 -8.613 -4.949 664 H LYS 84 H LYS 84 -11.086 -6.085 -1.108 665 HA LYS 84 HA LYS 84 -12.491 -6.598 1.241 666 HB2 LYS 84 2HB LYS 84 -10.073 -6.969 0.966 667 HB3 LYS 84 1HB LYS 84 -9.812 -5.231 0.939 668 HG2 LYS 84 2HG LYS 84 -10.521 -5.024 3.216 669 HG3 LYS 84 1HG LYS 84 -11.011 -6.719 3.263 670 HD2 LYS 84 2HD LYS 84 -8.185 -5.793 2.767 671 HD3 LYS 84 1HD LYS 84 -8.810 -6.241 4.354 672 HE2 LYS 84 2HE LYS 84 -8.719 -8.038 1.931 673 HE3 LYS 84 1HE LYS 84 -7.589 -8.087 3.282 674 HZ1 LYS 84 3HZ LYS 84 -10.511 -8.583 3.468 675 HZ2 LYS 84 1HZ LYS 84 -9.413 -8.656 4.752 676 HZ3 LYS 84 2HZ LYS 84 -9.312 -9.774 3.487 677 H LYS 85 H LYS 85 -11.810 -3.584 -0.370 678 HA LYS 85 HA LYS 85 -12.102 -1.734 1.655 679 HB2 LYS 85 2HB LYS 85 -11.509 -1.156 -0.661 680 HB3 LYS 85 1HB LYS 85 -13.149 -1.526 -1.175 681 HG2 LYS 85 2HG LYS 85 -13.974 0.286 0.294 682 HG3 LYS 85 1HG LYS 85 -12.299 0.691 0.677 683 HD2 LYS 85 2HD LYS 85 -11.868 1.110 -1.704 684 HD3 LYS 85 1HD LYS 85 -13.553 0.732 -2.067 685 HE2 LYS 85 2HE LYS 85 -14.261 2.600 -0.629 686 HE3 LYS 85 1HE LYS 85 -12.568 2.987 -0.322 687 HZ1 LYS 85 3HZ LYS 85 -12.286 3.369 -2.712 688 HZ2 LYS 85 1HZ LYS 85 -13.446 4.405 -2.041 689 HZ3 LYS 85 2HZ LYS 85 -13.933 3.070 -2.958 690 H LYS 86 H LYS 86 -14.580 -3.575 -0.020 691 HA LYS 86 HA LYS 86 -16.846 -2.173 0.793 692 HB2 LYS 86 2HB LYS 86 -16.590 -5.165 0.436 693 HB3 LYS 86 1HB LYS 86 -18.081 -4.237 0.384 694 HG2 LYS 86 2HG LYS 86 -15.798 -3.897 -1.549 695 HG3 LYS 86 1HG LYS 86 -17.228 -4.886 -1.846 696 HD2 LYS 86 2HD LYS 86 -18.654 -2.934 -1.667 697 HD3 LYS 86 1HD LYS 86 -17.263 -1.927 -1.261 698 HE2 LYS 86 2HE LYS 86 -17.899 -1.663 -3.606 699 HE3 LYS 86 1HE LYS 86 -16.290 -2.367 -3.450 700 HZ1 LYS 86 3HZ LYS 86 -17.249 -4.551 -3.856 701 HZ2 LYS 86 1HZ LYS 86 -17.580 -3.500 -5.141 702 HZ3 LYS 86 2HZ LYS 86 -18.788 -3.869 -4.018 703 H GLU 87 H GLU 87 -14.960 -4.640 2.462 704 HA GLU 87 HA GLU 87 -16.749 -4.812 4.699 705 HB2 GLU 87 2HB GLU 87 -15.293 -6.693 4.016 706 HB3 GLU 87 1HB GLU 87 -13.881 -5.737 4.445 707 HG2 GLU 87 2HG GLU 87 -14.674 -5.657 6.774 708 HG3 GLU 87 1HG GLU 87 -16.034 -6.685 6.322 709 H ALA 88 H ALA 88 -13.967 -2.923 3.830 710 HA ALA 88 HA ALA 88 -13.182 -2.027 6.373 711 HB1 ALA 88 1HB ALA 88 -12.967 -0.560 3.746 712 HB2 ALA 88 2HB ALA 88 -11.820 -1.759 4.343 713 HB3 ALA 88 3HB ALA 88 -12.034 -0.236 5.207 714 H GLU 89 H GLU 89 -15.790 -1.088 4.275 715 HA GLU 89 HA GLU 89 -16.389 1.453 5.204 716 HB2 GLU 89 2HB GLU 89 -18.301 -0.724 4.339 717 HB3 GLU 89 1HB GLU 89 -18.712 0.979 4.488 718 HG2 GLU 89 2HG GLU 89 -16.672 -0.182 2.604 719 HG3 GLU 89 1HG GLU 89 -18.296 0.348 2.173 720 H ARG 90 H ARG 90 -17.708 -1.644 6.397 721 HA ARG 90 HA ARG 90 -19.080 -0.423 8.575 722 HB2 ARG 90 2HB ARG 90 -19.479 -2.723 9.348 723 HB3 ARG 90 1HB ARG 90 -19.858 -2.531 7.641 724 HG2 ARG 90 2HG ARG 90 -17.799 -3.613 7.015 725 HG3 ARG 90 1HG ARG 90 -17.293 -3.700 8.704 726 HD2 ARG 90 2HD ARG 90 -19.700 -5.067 7.503 727 HD3 ARG 90 1HD ARG 90 -18.171 -5.843 7.914 728 HE ARG 90 HE ARG 90 -19.257 -4.526 10.171 729 HH11 ARG 90 1HH1 ARG 90 -19.675 -7.358 8.182 730 HH12 ARG 90 2HH1 ARG 90 -20.388 -8.299 9.450 731 HH21 ARG 90 1HH2 ARG 90 -20.191 -5.757 11.842 732 HH22 ARG 90 2HH2 ARG 90 -20.681 -7.389 11.530 733 H LYS 91 H LYS 91 -15.829 -1.230 8.075 734 HA LYS 91 HA LYS 91 -15.175 -1.797 10.820 735 HB2 LYS 91 2HB LYS 91 -13.496 -1.270 8.374 736 HB3 LYS 91 1HB LYS 91 -12.796 -1.524 9.965 737 HG2 LYS 91 2HG LYS 91 -13.812 -3.737 10.071 738 HG3 LYS 91 1HG LYS 91 -14.538 -3.482 8.483 739 HD2 LYS 91 2HD LYS 91 -12.632 -4.722 7.997 740 HD3 LYS 91 1HD LYS 91 -12.115 -3.063 7.696 741 HE2 LYS 91 2HE LYS 91 -11.634 -4.572 10.262 742 HE3 LYS 91 1HE LYS 91 -10.457 -4.411 8.961 743 HZ1 LYS 91 3HZ LYS 91 -9.981 -2.773 10.596 744 HZ2 LYS 91 1HZ LYS 91 -11.586 -2.237 10.636 745 HZ3 LYS 91 2HZ LYS 91 -10.637 -1.964 9.263 746 H LEU 92 H LEU 92 -15.238 1.021 8.752 747 HA LEU 92 HA LEU 92 -13.776 2.665 10.625 748 HB2 LEU 92 2HB LEU 92 -15.311 3.368 8.122 749 HB3 LEU 92 1HB LEU 92 -14.372 4.510 9.065 750 HG LEU 92 HG LEU 92 -13.245 2.089 7.654 751 HD11 LEU 92 1HD1 LEU 92 -12.248 3.711 6.122 752 HD12 LEU 92 2HD1 LEU 92 -13.103 5.015 6.946 753 HD13 LEU 92 3HD1 LEU 92 -14.010 3.774 6.078 754 HD21 LEU 92 3HD2 LEU 92 -11.966 2.671 9.637 755 HD22 LEU 92 1HD2 LEU 92 -11.887 4.354 9.113 756 HD23 LEU 92 2HD2 LEU 92 -11.071 3.100 8.180 757 H MET 93 H MET 93 -16.626 1.342 10.983 758 HA MET 93 HA MET 93 -18.171 3.691 11.707 759 HB2 MET 93 2HB MET 93 -18.819 0.750 11.983 760 HB3 MET 93 1HB MET 93 -19.935 2.072 12.297 761 HG2 MET 93 2HG MET 93 -18.710 1.316 9.657 762 HG3 MET 93 1HG MET 93 -20.398 1.151 10.140 763 HE1 MET 93 3HE MET 93 -21.475 4.930 10.440 764 HE2 MET 93 1HE MET 93 -20.774 3.953 11.730 765 HE3 MET 93 2HE MET 93 -21.980 3.253 10.651 766 H THR 94 H THR 94 -16.132 1.338 13.195 767 HA THR 94 HA THR 94 -16.873 2.356 15.861 768 HB THR 94 HB THR 94 -17.273 -0.028 15.726 769 HG1 THR 94 1HG THR 94 -14.824 0.234 17.130 770 HG21 THR 94 3HG2 THR 94 -14.372 -0.271 14.914 771 HG22 THR 94 1HG2 THR 94 -15.764 -0.559 13.871 772 HG23 THR 94 2HG2 THR 94 -15.465 -1.614 15.251 773 H ASN 95 H ASN 95 -15.192 2.798 17.356 774 HA ASN 95 HA ASN 95 -12.475 2.934 16.270 775 HB2 ASN 95 2HB ASN 95 -13.477 5.136 15.852 776 HB3 ASN 95 1HB ASN 95 -13.908 5.271 17.554 777 HD21 ASN 95 1HD2 ASN 95 -12.707 7.123 17.855 778 HD22 ASN 95 2HD2 ASN 95 -10.981 7.117 17.884 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -10.082 -1.526 13.674 2 H2 MET 1 2HT MET 1 -9.525 -2.497 14.942 3 H3 MET 1 3HT MET 1 -9.127 -2.885 13.346 4 HA MET 1 HA MET 1 -8.259 -0.453 14.796 5 HB2 MET 1 2HB MET 1 -7.213 -2.589 15.566 6 HB3 MET 1 1HB MET 1 -6.636 -2.852 13.926 7 HG2 MET 1 2HG MET 1 -4.851 -1.958 15.230 8 HG3 MET 1 1HG MET 1 -5.374 -0.730 14.078 9 HE1 MET 1 2HE MET 1 -4.273 1.378 17.201 10 HE2 MET 1 3HE MET 1 -4.014 1.070 15.484 11 HE3 MET 1 1HE MET 1 -3.546 -0.141 16.678 12 H GLU 2 H GLU 2 -8.122 1.163 13.386 13 HA GLU 2 HA GLU 2 -8.132 0.914 10.608 14 HB2 GLU 2 2HB GLU 2 -7.542 3.280 10.535 15 HB3 GLU 2 1HB GLU 2 -8.763 2.984 11.763 16 HG2 GLU 2 2HG GLU 2 -5.825 3.238 12.350 17 HG3 GLU 2 1HG GLU 2 -6.963 4.581 12.417 18 H SER 3 H SER 3 -5.446 1.124 12.878 19 HA SER 3 HA SER 3 -3.374 1.525 11.035 20 HB2 SER 3 2HB SER 3 -3.301 0.035 13.670 21 HB3 SER 3 1HB SER 3 -1.890 0.619 12.787 22 HG SER 3 HG SER 3 -3.942 2.141 14.006 23 H GLU 4 H GLU 4 -5.191 -1.307 11.887 24 HA GLU 4 HA GLU 4 -3.364 -3.197 10.748 25 HB2 GLU 4 2HB GLU 4 -4.936 -3.859 12.505 26 HB3 GLU 4 1HB GLU 4 -6.291 -3.471 11.454 27 HG2 GLU 4 2HG GLU 4 -5.588 -5.229 9.905 28 HG3 GLU 4 1HG GLU 4 -4.243 -5.625 10.975 29 H TYR 5 H TYR 5 -6.352 -1.628 9.684 30 HA TYR 5 HA TYR 5 -6.606 -2.985 7.230 31 HB2 TYR 5 2HB TYR 5 -8.493 -1.797 8.123 32 HB3 TYR 5 1HB TYR 5 -7.601 -0.281 8.139 33 HD1 TYR 5 2HD TYR 5 -8.602 -2.924 5.683 34 HD2 TYR 5 1HD TYR 5 -8.069 1.225 6.463 35 HE1 TYR 5 2HE TYR 5 -9.461 -2.398 3.442 36 HE2 TYR 5 1HE TYR 5 -8.928 1.762 4.223 37 HH TYR 5 HH TYR 5 -10.519 -0.509 2.272 38 H ARG 6 H ARG 6 -4.695 -0.231 8.200 39 HA ARG 6 HA ARG 6 -4.056 0.531 5.491 40 HB2 ARG 6 2HB ARG 6 -2.843 1.439 8.107 41 HB3 ARG 6 1HB ARG 6 -2.570 2.180 6.536 42 HG2 ARG 6 2HG ARG 6 -4.897 2.822 6.395 43 HG3 ARG 6 1HG ARG 6 -5.240 2.001 7.916 44 HD2 ARG 6 2HD ARG 6 -3.370 4.342 7.565 45 HD3 ARG 6 1HD ARG 6 -5.012 4.431 8.200 46 HE ARG 6 HE ARG 6 -3.611 2.582 9.742 47 HH11 ARG 6 1HH1 ARG 6 -3.541 5.995 9.042 48 HH12 ARG 6 2HH1 ARG 6 -2.881 6.429 10.582 49 HH21 ARG 6 1HH2 ARG 6 -2.749 3.142 11.775 50 HH22 ARG 6 2HH2 ARG 6 -2.432 4.805 12.138 51 H GLU 7 H GLU 7 -2.120 -0.686 8.231 52 HA GLU 7 HA GLU 7 0.243 -1.100 6.806 53 HB2 GLU 7 2HB GLU 7 0.262 -1.062 9.204 54 HB3 GLU 7 1HB GLU 7 -0.818 -2.447 9.288 55 HG2 GLU 7 2HG GLU 7 0.904 -3.879 8.364 56 HG3 GLU 7 1HG GLU 7 1.983 -2.497 8.187 57 H MET 8 H MET 8 -2.260 -3.503 7.654 58 HA MET 8 HA MET 8 -1.046 -5.685 6.392 59 HB2 MET 8 2HB MET 8 -2.849 -5.946 8.005 60 HB3 MET 8 1HB MET 8 -3.975 -5.161 6.906 61 HG2 MET 8 2HG MET 8 -3.740 -6.990 5.328 62 HG3 MET 8 1HG MET 8 -2.568 -7.771 6.388 63 HE1 MET 8 3HE MET 8 -3.174 -8.736 8.800 64 HE2 MET 8 1HE MET 8 -4.789 -8.655 9.505 65 HE3 MET 8 2HE MET 8 -3.856 -7.177 9.265 66 H LEU 9 H LEU 9 -3.312 -3.288 5.122 67 HA LEU 9 HA LEU 9 -3.859 -4.543 2.675 68 HB2 LEU 9 2HB LEU 9 -5.155 -2.674 3.599 69 HB3 LEU 9 1HB LEU 9 -3.801 -1.598 3.336 70 HG LEU 9 HG LEU 9 -5.777 -1.555 1.680 71 HD11 LEU 9 1HD1 LEU 9 -3.558 -0.432 1.420 72 HD12 LEU 9 2HD1 LEU 9 -4.363 -0.856 -0.090 73 HD13 LEU 9 3HD1 LEU 9 -3.026 -1.841 0.501 74 HD21 LEU 9 3HD2 LEU 9 -4.291 -3.936 0.579 75 HD22 LEU 9 1HD2 LEU 9 -5.661 -3.111 -0.162 76 HD23 LEU 9 2HD2 LEU 9 -5.878 -3.994 1.348 77 H LEU 10 H LEU 10 -1.157 -2.544 3.687 78 HA LEU 10 HA LEU 10 -0.162 -2.260 0.991 79 HB2 LEU 10 2HB LEU 10 0.691 -1.309 3.677 80 HB3 LEU 10 1HB LEU 10 1.892 -1.375 2.402 81 HG LEU 10 HG LEU 10 0.943 0.850 2.562 82 HD11 LEU 10 1HD1 LEU 10 1.625 0.044 0.359 83 HD12 LEU 10 2HD1 LEU 10 0.268 1.165 0.248 84 HD13 LEU 10 3HD1 LEU 10 -0.005 -0.569 0.079 85 HD21 LEU 10 3HD2 LEU 10 -1.449 1.206 1.946 86 HD22 LEU 10 1HD2 LEU 10 -1.205 0.415 3.501 87 HD23 LEU 10 2HD2 LEU 10 -1.689 -0.535 2.097 88 H LEU 11 H LEU 11 1.103 -3.835 3.948 89 HA LEU 11 HA LEU 11 3.348 -4.976 2.805 90 HB2 LEU 11 2HB LEU 11 3.338 -6.570 4.651 91 HB3 LEU 11 1HB LEU 11 3.026 -4.936 5.192 92 HG LEU 11 HG LEU 11 0.516 -5.656 5.082 93 HD11 LEU 11 1HD1 LEU 11 0.771 -7.789 4.020 94 HD12 LEU 11 2HD1 LEU 11 0.250 -8.056 5.683 95 HD13 LEU 11 3HD1 LEU 11 1.938 -8.309 5.236 96 HD21 LEU 11 3HD2 LEU 11 2.409 -6.641 7.212 97 HD22 LEU 11 1HD2 LEU 11 0.667 -6.443 7.401 98 HD23 LEU 11 2HD2 LEU 11 1.688 -5.035 7.116 99 H THR 12 H THR 12 0.044 -5.921 2.413 100 HA THR 12 HA THR 12 0.492 -8.619 1.664 101 HB THR 12 HB THR 12 -1.764 -8.308 0.441 102 HG1 THR 12 1HG THR 12 -2.763 -6.346 1.685 103 HG21 THR 12 3HG2 THR 12 -2.990 -8.354 2.590 104 HG22 THR 12 1HG2 THR 12 -1.512 -7.865 3.417 105 HG23 THR 12 2HG2 THR 12 -1.583 -9.418 2.586 106 H GLY 13 H GLY 13 1.614 -5.919 0.210 107 HA2 GLY 13 2HA GLY 13 1.543 -7.184 -2.458 108 HA3 GLY 13 1HA GLY 13 1.491 -5.442 -2.235 109 H LEU 14 H LEU 14 3.443 -5.159 -0.251 110 HA LEU 14 HA LEU 14 5.793 -5.061 -1.786 111 HB2 LEU 14 2HB LEU 14 5.324 -4.870 1.185 112 HB3 LEU 14 1HB LEU 14 6.914 -4.686 0.476 113 HG LEU 14 HG LEU 14 5.998 -2.509 0.937 114 HD11 LEU 14 1HD1 LEU 14 6.074 -1.500 -1.295 115 HD12 LEU 14 2HD1 LEU 14 5.918 -3.099 -2.021 116 HD13 LEU 14 3HD1 LEU 14 7.349 -2.698 -1.073 117 HD21 LEU 14 3HD2 LEU 14 3.630 -3.099 0.946 118 HD22 LEU 14 1HD2 LEU 14 3.666 -3.313 -0.804 119 HD23 LEU 14 2HD2 LEU 14 3.937 -1.717 -0.105 120 H ASP 15 H ASP 15 4.787 -7.298 0.776 121 HA ASP 15 HA ASP 15 7.167 -8.877 0.625 122 HB2 ASP 15 2HB ASP 15 5.855 -8.716 2.695 123 HB3 ASP 15 1HB ASP 15 4.488 -9.488 1.898 124 H HIS 16 H HIS 16 4.590 -8.601 -1.446 125 HA HIS 16 HA HIS 16 4.795 -11.406 -2.314 126 HB2 HIS 16 2HB HIS 16 2.600 -9.372 -2.702 127 HB3 HIS 16 1HB HIS 16 2.649 -10.908 -3.561 128 HD1 HIS 16 1HD HIS 16 2.072 -9.469 -0.135 129 HD2 HIS 16 2HD HIS 16 1.975 -13.140 -2.077 130 HE1 HIS 16 1HE HIS 16 0.951 -11.083 1.456 131 H ILE 17 H ILE 17 6.466 -8.877 -2.963 132 HA ILE 17 HA ILE 17 6.506 -9.378 -5.858 133 HB ILE 17 HB ILE 17 6.978 -6.999 -6.295 134 HG12 ILE 17 2HG1 ILE 17 6.155 -6.560 -3.417 135 HG13 ILE 17 1HG1 ILE 17 7.813 -6.470 -4.001 136 HG21 ILE 17 1HG2 ILE 17 4.722 -7.863 -6.572 137 HG22 ILE 17 2HG2 ILE 17 4.683 -6.193 -6.008 138 HG23 ILE 17 3HG2 ILE 17 4.365 -7.512 -4.881 139 HD11 ILE 17 3HD1 ILE 17 6.821 -4.263 -3.756 140 HD12 ILE 17 1HD1 ILE 17 5.544 -4.705 -4.887 141 HD13 ILE 17 2HD1 ILE 17 7.215 -4.604 -5.440 142 H THR 18 H THR 18 8.573 -8.460 -6.853 143 HA THR 18 HA THR 18 10.794 -9.395 -5.225 144 HB THR 18 HB THR 18 12.116 -9.134 -7.349 145 HG1 THR 18 1HG THR 18 10.741 -7.565 -8.337 146 HG21 THR 18 3HG2 THR 18 11.158 -11.288 -6.731 147 HG22 THR 18 1HG2 THR 18 11.072 -11.057 -8.477 148 HG23 THR 18 2HG2 THR 18 9.629 -10.843 -7.487 149 H GLU 19 H GLU 19 12.940 -8.154 -5.688 150 HA GLU 19 HA GLU 19 12.701 -5.622 -4.451 151 HB2 GLU 19 2HB GLU 19 15.002 -7.098 -5.705 152 HB3 GLU 19 1HB GLU 19 15.196 -5.477 -5.053 153 HG2 GLU 19 2HG GLU 19 15.885 -7.167 -3.452 154 HG3 GLU 19 1HG GLU 19 14.498 -6.255 -2.860 155 H GLU 20 H GLU 20 13.274 -6.616 -7.790 156 HA GLU 20 HA GLU 20 13.953 -4.130 -8.864 157 HB2 GLU 20 2HB GLU 20 13.233 -5.055 -11.028 158 HB3 GLU 20 1HB GLU 20 14.215 -6.199 -10.121 159 HG2 GLU 20 2HG GLU 20 12.238 -7.424 -9.462 160 HG3 GLU 20 1HG GLU 20 11.210 -6.242 -10.271 161 H GLU 21 H GLU 21 10.817 -5.509 -8.101 162 HA GLU 21 HA GLU 21 9.330 -3.447 -9.439 163 HB2 GLU 21 2HB GLU 21 8.433 -5.493 -7.404 164 HB3 GLU 21 1HB GLU 21 7.368 -4.474 -8.363 165 HG2 GLU 21 2HG GLU 21 8.254 -5.523 -10.409 166 HG3 GLU 21 1HG GLU 21 9.242 -6.585 -9.406 167 H LEU 22 H LEU 22 10.613 -3.930 -6.238 168 HA LEU 22 HA LEU 22 9.005 -2.184 -4.773 169 HB2 LEU 22 2HB LEU 22 11.917 -2.894 -4.449 170 HB3 LEU 22 1HB LEU 22 11.015 -1.953 -3.276 171 HG LEU 22 HG LEU 22 10.314 -4.774 -4.093 172 HD11 LEU 22 1HD1 LEU 22 12.462 -4.691 -2.922 173 HD12 LEU 22 2HD1 LEU 22 11.212 -5.444 -1.933 174 HD13 LEU 22 3HD1 LEU 22 11.710 -3.782 -1.612 175 HD21 LEU 22 3HD2 LEU 22 9.311 -3.047 -1.835 176 HD22 LEU 22 1HD2 LEU 22 8.839 -4.714 -2.161 177 HD23 LEU 22 2HD2 LEU 22 8.419 -3.439 -3.304 178 H LYS 23 H LYS 23 12.056 -1.506 -6.481 179 HA LYS 23 HA LYS 23 12.179 1.221 -5.798 180 HB2 LYS 23 2HB LYS 23 13.782 1.401 -7.680 181 HB3 LYS 23 1HB LYS 23 14.138 0.068 -6.592 182 HG2 LYS 23 2HG LYS 23 13.076 -1.481 -8.177 183 HG3 LYS 23 1HG LYS 23 12.799 -0.131 -9.278 184 HD2 LYS 23 2HD LYS 23 15.200 0.250 -9.435 185 HD3 LYS 23 1HD LYS 23 15.495 -1.065 -8.296 186 HE2 LYS 23 2HE LYS 23 15.869 -1.843 -10.552 187 HE3 LYS 23 1HE LYS 23 14.445 -2.634 -9.879 188 HZ1 LYS 23 3HZ LYS 23 13.066 -1.012 -11.073 189 HZ2 LYS 23 1HZ LYS 23 14.012 -1.942 -12.125 190 HZ3 LYS 23 2HZ LYS 23 14.457 -0.349 -11.773 191 H ARG 24 H ARG 24 10.452 -0.468 -8.309 192 HA ARG 24 HA ARG 24 9.931 1.828 -9.925 193 HB2 ARG 24 2HB ARG 24 8.529 -0.847 -9.808 194 HB3 ARG 24 1HB ARG 24 8.269 0.375 -11.045 195 HG2 ARG 24 2HG ARG 24 10.587 0.172 -11.756 196 HG3 ARG 24 1HG ARG 24 10.876 -1.029 -10.496 197 HD2 ARG 24 2HD ARG 24 9.222 -2.507 -11.526 198 HD3 ARG 24 1HD ARG 24 8.924 -1.304 -12.781 199 HE ARG 24 HE ARG 24 11.667 -1.943 -12.712 200 HH11 ARG 24 1HH1 ARG 24 8.593 -3.307 -13.632 201 HH12 ARG 24 2HH1 ARG 24 9.269 -4.332 -14.854 202 HH21 ARG 24 1HH2 ARG 24 12.563 -3.286 -14.320 203 HH22 ARG 24 2HH2 ARG 24 11.526 -4.320 -15.245 204 H PHE 25 H PHE 25 8.194 0.199 -7.321 205 HA PHE 25 HA PHE 25 5.790 1.693 -7.623 206 HB2 PHE 25 2HB PHE 25 5.838 -0.497 -6.510 207 HB3 PHE 25 1HB PHE 25 6.826 0.179 -5.218 208 HD1 PHE 25 1HD PHE 25 3.560 0.741 -6.923 209 HD2 PHE 25 2HD PHE 25 5.790 0.917 -3.305 210 HE1 PHE 25 1HE PHE 25 1.520 1.379 -5.703 211 HE2 PHE 25 2HE PHE 25 3.754 1.553 -2.077 212 HZ PHE 25 HZ PHE 25 1.617 1.785 -3.276 213 H LYS 26 H LYS 26 8.558 1.978 -5.403 214 HA LYS 26 HA LYS 26 7.542 4.179 -3.959 215 HB2 LYS 26 2HB LYS 26 10.277 3.009 -4.327 216 HB3 LYS 26 1HB LYS 26 10.083 4.538 -3.480 217 HG2 LYS 26 2HG LYS 26 10.157 2.765 -1.876 218 HG3 LYS 26 1HG LYS 26 8.521 3.424 -1.916 219 HD2 LYS 26 2HD LYS 26 7.906 1.556 -3.471 220 HD3 LYS 26 1HD LYS 26 9.501 0.863 -3.168 221 HE2 LYS 26 2HE LYS 26 7.405 1.434 -1.078 222 HE3 LYS 26 1HE LYS 26 7.770 -0.151 -1.757 223 HZ1 LYS 26 3HZ LYS 26 9.659 1.543 -0.214 224 HZ2 LYS 26 1HZ LYS 26 10.006 0.018 -0.861 225 HZ3 LYS 26 2HZ LYS 26 8.859 0.173 0.372 226 H TYR 27 H TYR 27 9.336 3.947 -6.952 227 HA TYR 27 HA TYR 27 10.045 6.705 -7.102 228 HB2 TYR 27 2HB TYR 27 11.230 4.905 -8.343 229 HB3 TYR 27 1HB TYR 27 9.798 4.686 -9.344 230 HD1 TYR 27 1HD TYR 27 9.162 6.392 -10.993 231 HD2 TYR 27 2HD TYR 27 12.707 6.780 -8.672 232 HE1 TYR 27 1HE TYR 27 9.985 8.111 -12.547 233 HE2 TYR 27 2HE TYR 27 13.538 8.502 -10.218 234 HH TYR 27 HH TYR 27 11.559 9.971 -12.571 235 H PHE 28 H PHE 28 7.264 4.820 -8.031 236 HA PHE 28 HA PHE 28 6.122 6.872 -9.694 237 HB2 PHE 28 2HB PHE 28 5.773 4.259 -9.736 238 HB3 PHE 28 1HB PHE 28 4.498 4.626 -8.579 239 HD1 PHE 28 2HD PHE 28 2.572 5.987 -9.247 240 HD2 PHE 28 1HD PHE 28 5.571 4.841 -12.040 241 HE1 PHE 28 2HE PHE 28 1.059 6.562 -11.102 242 HE2 PHE 28 1HE PHE 28 4.066 5.415 -13.899 243 HZ PHE 28 HZ PHE 28 1.807 6.276 -13.432 244 H ALA 29 H ALA 29 5.218 5.453 -6.542 245 HA ALA 29 HA ALA 29 3.161 7.347 -6.047 246 HB1 ALA 29 1HB ALA 29 4.615 5.524 -4.138 247 HB2 ALA 29 2HB ALA 29 3.121 5.167 -5.003 248 HB3 ALA 29 3HB ALA 29 3.145 6.426 -3.769 249 H LEU 30 H LEU 30 6.437 7.009 -4.638 250 HA LEU 30 HA LEU 30 6.167 9.708 -3.540 251 HB2 LEU 30 2HB LEU 30 8.351 7.670 -3.097 252 HB3 LEU 30 1HB LEU 30 8.196 9.204 -2.267 253 HG LEU 30 HG LEU 30 7.419 7.647 -0.717 254 HD11 LEU 30 1HD1 LEU 30 5.870 9.512 -0.949 255 HD12 LEU 30 2HD1 LEU 30 5.028 8.035 -0.484 256 HD13 LEU 30 3HD1 LEU 30 4.948 8.607 -2.149 257 HD21 LEU 30 3HD2 LEU 30 7.331 5.726 -2.220 258 HD22 LEU 30 1HD2 LEU 30 5.820 6.328 -2.904 259 HD23 LEU 30 2HD2 LEU 30 5.885 5.828 -1.214 260 H THR 31 H THR 31 6.425 10.964 -5.389 261 HA THR 31 HA THR 31 8.860 10.652 -6.959 262 HB THR 31 HB THR 31 7.937 12.399 -8.410 263 HG1 THR 31 1HG THR 31 5.516 12.767 -7.672 264 HG21 THR 31 3HG2 THR 31 7.274 10.069 -8.791 265 HG22 THR 31 1HG2 THR 31 5.975 11.184 -9.220 266 HG23 THR 31 2HG2 THR 31 5.901 10.283 -7.706 267 H GLU 32 H GLU 32 7.239 13.199 -5.073 268 HA GLU 32 HA GLU 32 9.731 14.725 -5.015 269 HB2 GLU 32 2HB GLU 32 8.352 16.542 -4.074 270 HB3 GLU 32 1HB GLU 32 7.749 15.975 -5.625 271 HG2 GLU 32 2HG GLU 32 6.043 14.656 -4.480 272 HG3 GLU 32 1HG GLU 32 6.646 15.230 -2.926 273 H PHE 33 H PHE 33 7.968 12.555 -3.087 274 HA PHE 33 HA PHE 33 8.759 13.619 -0.535 275 HB2 PHE 33 2HB PHE 33 7.696 10.873 -1.235 276 HB3 PHE 33 1HB PHE 33 7.832 11.545 0.387 277 HD1 PHE 33 1HD PHE 33 6.468 13.601 0.949 278 HD2 PHE 33 2HD PHE 33 5.797 11.258 -2.539 279 HE1 PHE 33 1HE PHE 33 4.211 14.557 0.746 280 HE2 PHE 33 2HE PHE 33 3.541 12.213 -2.751 281 HZ PHE 33 HZ PHE 33 2.744 13.864 -1.107 282 H GLN 34 H GLN 34 10.146 11.521 -2.894 283 HA GLN 34 HA GLN 34 12.015 10.204 -2.930 284 HB2 GLN 34 2HB GLN 34 12.873 12.576 -2.789 285 HB3 GLN 34 1HB GLN 34 13.116 12.310 -1.068 286 HG2 GLN 34 2HG GLN 34 15.188 12.012 -2.265 287 HG3 GLN 34 1HG GLN 34 14.659 10.478 -1.576 288 HE21 GLN 34 1HE2 GLN 34 15.104 12.317 -4.490 289 HE22 GLN 34 2HE2 GLN 34 14.960 10.993 -5.591 290 H ILE 35 H ILE 35 10.659 8.667 -1.555 291 HA ILE 35 HA ILE 35 11.150 8.420 1.218 292 HB ILE 35 HB ILE 35 9.225 7.403 -0.066 293 HG12 ILE 35 2HG1 ILE 35 10.654 5.344 1.602 294 HG13 ILE 35 1HG1 ILE 35 10.009 6.819 2.317 295 HG21 ILE 35 1HG2 ILE 35 11.271 5.287 -0.724 296 HG22 ILE 35 2HG2 ILE 35 10.533 6.403 -1.874 297 HG23 ILE 35 3HG2 ILE 35 9.540 5.200 -1.051 298 HD11 ILE 35 3HD1 ILE 35 7.775 6.218 1.522 299 HD12 ILE 35 1HD1 ILE 35 8.458 4.979 2.576 300 HD13 ILE 35 2HD1 ILE 35 8.430 4.732 0.830 301 H ALA 36 H ALA 36 12.564 7.145 2.368 302 HA ALA 36 HA ALA 36 15.101 6.659 1.191 303 HB1 ALA 36 1HB ALA 36 14.913 7.300 3.516 304 HB2 ALA 36 2HB ALA 36 15.708 5.730 3.387 305 HB3 ALA 36 3HB ALA 36 14.017 5.824 3.876 306 H ARG 37 H ARG 37 15.775 4.966 0.077 307 HA ARG 37 HA ARG 37 14.170 2.680 -0.386 308 HB2 ARG 37 2HB ARG 37 16.109 1.828 -1.636 309 HB3 ARG 37 1HB ARG 37 15.743 3.498 -2.055 310 HG2 ARG 37 2HG ARG 37 17.563 4.289 -0.691 311 HG3 ARG 37 1HG ARG 37 17.887 2.652 -0.117 312 HD2 ARG 37 2HD ARG 37 18.446 1.961 -2.392 313 HD3 ARG 37 1HD ARG 37 18.104 3.589 -2.976 314 HE ARG 37 HE ARG 37 20.032 3.723 -0.934 315 HH11 ARG 37 1HH1 ARG 37 19.677 2.643 -4.229 316 HH12 ARG 37 2HH1 ARG 37 21.345 2.892 -4.625 317 HH21 ARG 37 1HH2 ARG 37 22.228 4.054 -1.450 318 HH22 ARG 37 2HH2 ARG 37 22.792 3.696 -3.047 319 H SER 38 H SER 38 16.599 3.418 1.964 320 HA SER 38 HA SER 38 17.404 0.794 2.620 321 HB2 SER 38 2HB SER 38 17.377 3.286 4.336 322 HB3 SER 38 1HB SER 38 18.251 1.801 4.710 323 HG SER 38 HG SER 38 19.609 2.168 3.033 324 H THR 39 H THR 39 14.634 2.700 3.520 325 HA THR 39 HA THR 39 13.884 1.265 5.836 326 HB THR 39 HB THR 39 11.708 2.306 5.613 327 HG1 THR 39 1HG THR 39 11.211 2.222 3.480 328 HG21 THR 39 3HG2 THR 39 13.946 4.171 4.812 329 HG22 THR 39 1HG2 THR 39 13.511 3.705 6.457 330 HG23 THR 39 2HG2 THR 39 12.396 4.671 5.491 331 H LEU 40 H LEU 40 13.708 0.452 2.516 332 HA LEU 40 HA LEU 40 11.425 -1.054 2.266 333 HB2 LEU 40 2HB LEU 40 14.111 -1.149 1.030 334 HB3 LEU 40 1HB LEU 40 13.098 -2.563 0.815 335 HG LEU 40 HG LEU 40 11.349 -1.167 -0.197 336 HD11 LEU 40 1HD1 LEU 40 11.817 0.921 0.977 337 HD12 LEU 40 2HD1 LEU 40 11.802 1.158 -0.770 338 HD13 LEU 40 3HD1 LEU 40 13.336 1.081 0.095 339 HD21 LEU 40 3HD2 LEU 40 14.055 -0.775 -1.466 340 HD22 LEU 40 1HD2 LEU 40 12.496 -0.692 -2.285 341 HD23 LEU 40 2HD2 LEU 40 13.056 -2.221 -1.606 342 H ASP 41 H ASP 41 14.069 -1.728 4.333 343 HA ASP 41 HA ASP 41 14.041 -4.515 4.444 344 HB2 ASP 41 2HB ASP 41 15.735 -3.121 5.567 345 HB3 ASP 41 1HB ASP 41 14.520 -2.572 6.716 346 H VAL 42 H VAL 42 12.015 -2.146 6.096 347 HA VAL 42 HA VAL 42 10.075 -4.265 6.693 348 HB VAL 42 HB VAL 42 9.629 -3.140 8.912 349 HG11 VAL 42 1HG1 VAL 42 12.306 -4.483 8.534 350 HG12 VAL 42 2HG1 VAL 42 10.758 -5.291 8.779 351 HG13 VAL 42 3HG1 VAL 42 11.455 -4.312 10.070 352 HG21 VAL 42 3HG2 VAL 42 11.458 -1.848 9.905 353 HG22 VAL 42 1HG2 VAL 42 10.787 -1.051 8.481 354 HG23 VAL 42 2HG2 VAL 42 12.326 -1.907 8.370 355 H ALA 43 H ALA 43 10.535 -1.760 4.937 356 HA ALA 43 HA ALA 43 8.772 0.254 5.614 357 HB1 ALA 43 1HB ALA 43 10.457 0.204 3.724 358 HB2 ALA 43 2HB ALA 43 8.924 1.016 3.419 359 HB3 ALA 43 3HB ALA 43 9.202 -0.606 2.787 360 H ASP 44 H ASP 44 8.071 -2.878 4.289 361 HA ASP 44 HA ASP 44 5.579 -2.313 3.169 362 HB2 ASP 44 2HB ASP 44 5.095 -4.724 3.495 363 HB3 ASP 44 1HB ASP 44 6.675 -4.433 2.778 364 H ARG 45 H ARG 45 6.255 -3.547 6.478 365 HA ARG 45 HA ARG 45 3.490 -3.161 7.179 366 HB2 ARG 45 2HB ARG 45 4.232 -3.940 9.442 367 HB3 ARG 45 1HB ARG 45 4.517 -5.060 8.119 368 HG2 ARG 45 2HG ARG 45 6.880 -4.213 8.044 369 HG3 ARG 45 1HG ARG 45 6.533 -3.341 9.538 370 HD2 ARG 45 2HD ARG 45 5.921 -5.474 10.610 371 HD3 ARG 45 1HD ARG 45 6.348 -6.322 9.124 372 HE ARG 45 HE ARG 45 8.568 -4.841 9.846 373 HH11 ARG 45 1HH1 ARG 45 6.657 -7.419 11.206 374 HH12 ARG 45 2HH1 ARG 45 7.982 -8.110 12.084 375 HH21 ARG 45 1HH2 ARG 45 10.315 -5.743 10.999 376 HH22 ARG 45 2HH2 ARG 45 10.061 -7.156 11.968 377 H THR 46 H THR 46 6.486 -1.812 8.596 378 HA THR 46 HA THR 46 4.961 0.086 10.128 379 HB THR 46 HB THR 46 7.144 0.783 11.042 380 HG1 THR 46 1HG THR 46 8.438 0.292 9.202 381 HG21 THR 46 3HG2 THR 46 7.602 -1.334 12.199 382 HG22 THR 46 1HG2 THR 46 6.626 -2.193 11.008 383 HG23 THR 46 2HG2 THR 46 5.870 -1.019 12.087 384 H GLU 47 H GLU 47 7.608 0.554 7.753 385 HA GLU 47 HA GLU 47 7.467 3.376 7.968 386 HB2 GLU 47 2HB GLU 47 9.170 1.453 6.780 387 HB3 GLU 47 1HB GLU 47 8.761 2.649 5.549 388 HG2 GLU 47 2HG GLU 47 10.780 3.284 6.723 389 HG3 GLU 47 1HG GLU 47 9.490 4.442 7.041 390 H LEU 48 H LEU 48 6.648 1.387 5.091 391 HA LEU 48 HA LEU 48 5.702 3.513 3.571 392 HB2 LEU 48 2HB LEU 48 4.984 0.596 3.501 393 HB3 LEU 48 1HB LEU 48 4.337 1.751 2.354 394 HG LEU 48 HG LEU 48 7.284 1.255 2.737 395 HD11 LEU 48 1HD1 LEU 48 5.452 0.171 0.605 396 HD12 LEU 48 2HD1 LEU 48 6.133 -0.765 1.936 397 HD13 LEU 48 3HD1 LEU 48 7.196 -0.068 0.715 398 HD21 LEU 48 3HD2 LEU 48 6.688 3.449 1.815 399 HD22 LEU 48 1HD2 LEU 48 5.755 2.653 0.548 400 HD23 LEU 48 2HD2 LEU 48 7.503 2.435 0.624 401 H ALA 49 H ALA 49 3.857 1.314 5.661 402 HA ALA 49 HA ALA 49 1.310 2.241 5.121 403 HB1 ALA 49 1HB ALA 49 0.662 1.376 7.293 404 HB2 ALA 49 2HB ALA 49 2.350 1.340 7.803 405 HB3 ALA 49 3HB ALA 49 1.797 0.279 6.508 406 H ASP 50 H ASP 50 3.427 3.375 7.763 407 HA ASP 50 HA ASP 50 1.685 5.474 8.536 408 HB2 ASP 50 2HB ASP 50 3.306 4.476 10.077 409 HB3 ASP 50 1HB ASP 50 4.631 5.108 9.105 410 H HIS 51 H HIS 51 4.371 5.314 6.283 411 HA HIS 51 HA HIS 51 4.779 8.119 6.070 412 HB2 HIS 51 2HB HIS 51 6.500 6.445 5.497 413 HB3 HIS 51 1HB HIS 51 5.533 5.945 4.114 414 HD1 HIS 51 1HD HIS 51 5.908 7.223 1.967 415 HD2 HIS 51 2HD HIS 51 7.471 9.157 5.295 416 HE1 HIS 51 1HE HIS 51 7.224 9.196 1.089 417 H LEU 52 H LEU 52 3.309 5.841 3.725 418 HA LEU 52 HA LEU 52 2.542 7.783 1.889 419 HB2 LEU 52 2HB LEU 52 1.032 6.125 0.949 420 HB3 LEU 52 1HB LEU 52 2.600 5.437 1.320 421 HG LEU 52 HG LEU 52 1.320 4.769 3.574 422 HD11 LEU 52 1HD1 LEU 52 -0.953 4.056 3.056 423 HD12 LEU 52 2HD1 LEU 52 -0.828 4.797 1.461 424 HD13 LEU 52 3HD1 LEU 52 -0.784 5.804 2.908 425 HD21 LEU 52 3HD2 LEU 52 2.514 3.270 2.043 426 HD22 LEU 52 1HD2 LEU 52 1.110 3.256 0.976 427 HD23 LEU 52 2HD2 LEU 52 0.991 2.575 2.598 428 H ILE 53 H ILE 53 0.877 6.704 4.803 429 HA ILE 53 HA ILE 53 -1.655 7.769 4.245 430 HB ILE 53 HB ILE 53 -0.229 7.326 6.861 431 HG12 ILE 53 2HG1 ILE 53 -0.852 5.249 5.965 432 HG13 ILE 53 1HG1 ILE 53 -2.155 5.633 7.081 433 HG21 ILE 53 1HG2 ILE 53 -2.381 7.731 7.994 434 HG22 ILE 53 2HG2 ILE 53 -3.046 8.313 6.470 435 HG23 ILE 53 3HG2 ILE 53 -1.718 9.179 7.240 436 HD11 ILE 53 3HD1 ILE 53 -2.184 5.772 4.088 437 HD12 ILE 53 1HD1 ILE 53 -3.434 6.493 5.096 438 HD13 ILE 53 2HD1 ILE 53 -3.157 4.754 5.147 439 H GLN 54 H GLN 54 1.231 9.277 5.602 440 HA GLN 54 HA GLN 54 0.105 11.713 6.382 441 HB2 GLN 54 2HB GLN 54 2.897 11.157 5.365 442 HB3 GLN 54 1HB GLN 54 2.401 12.617 6.208 443 HG2 GLN 54 2HG GLN 54 1.853 11.287 8.186 444 HG3 GLN 54 1HG GLN 54 2.364 9.829 7.338 445 HE21 GLN 54 1HE2 GLN 54 3.397 12.778 8.855 446 HE22 GLN 54 2HE2 GLN 54 5.076 12.382 8.951 447 H SER 55 H SER 55 0.940 10.511 3.233 448 HA SER 55 HA SER 55 1.281 12.875 1.814 449 HB2 SER 55 2HB SER 55 0.037 10.281 0.879 450 HB3 SER 55 1HB SER 55 0.601 11.574 -0.180 451 HG SER 55 HG SER 55 2.216 10.033 0.025 452 H ALA 56 H ALA 56 -1.773 11.007 2.090 453 HA ALA 56 HA ALA 56 -3.198 13.548 1.617 454 HB1 ALA 56 1HB ALA 56 -4.902 12.337 0.384 455 HB2 ALA 56 2HB ALA 56 -4.036 10.822 0.642 456 HB3 ALA 56 3HB ALA 56 -3.316 12.092 -0.349 457 H GLY 57 H GLY 57 -3.216 10.429 3.251 458 HA2 GLY 57 2HA GLY 57 -4.210 11.126 5.650 459 HA3 GLY 57 1HA GLY 57 -5.671 11.030 4.676 460 H ALA 58 H ALA 58 -5.834 9.364 6.617 461 HA ALA 58 HA ALA 58 -4.485 6.902 6.376 462 HB1 ALA 58 1HB ALA 58 -5.546 7.573 8.446 463 HB2 ALA 58 2HB ALA 58 -6.194 6.028 7.896 464 HB3 ALA 58 3HB ALA 58 -7.132 7.505 7.679 465 H ALA 59 H ALA 59 -7.965 7.433 5.788 466 HA ALA 59 HA ALA 59 -8.240 5.055 4.275 467 HB1 ALA 59 1HB ALA 59 -10.088 7.432 4.404 468 HB2 ALA 59 2HB ALA 59 -10.089 6.065 5.519 469 HB3 ALA 59 3HB ALA 59 -10.500 5.819 3.821 470 H SER 60 H SER 60 -7.809 8.435 3.356 471 HA SER 60 HA SER 60 -8.384 8.213 0.632 472 HB2 SER 60 2HB SER 60 -8.162 10.371 1.752 473 HB3 SER 60 1HB SER 60 -6.442 10.079 2.009 474 HG SER 60 HG SER 60 -7.211 9.804 -0.602 475 H ALA 61 H ALA 61 -5.279 7.811 2.317 476 HA ALA 61 HA ALA 61 -3.799 7.399 -0.082 477 HB1 ALA 61 1HB ALA 61 -3.052 6.702 2.748 478 HB2 ALA 61 2HB ALA 61 -2.755 8.246 1.951 479 HB3 ALA 61 3HB ALA 61 -1.955 6.785 1.372 480 H VAL 62 H VAL 62 -5.332 5.208 2.234 481 HA VAL 62 HA VAL 62 -4.127 2.839 1.275 482 HB VAL 62 HB VAL 62 -6.740 3.209 2.739 483 HG11 VAL 62 1HG1 VAL 62 -5.176 0.703 2.132 484 HG12 VAL 62 2HG1 VAL 62 -6.820 1.088 1.621 485 HG13 VAL 62 3HG1 VAL 62 -6.471 0.799 3.326 486 HG21 VAL 62 3HG2 VAL 62 -5.514 2.644 4.716 487 HG22 VAL 62 1HG2 VAL 62 -4.660 3.953 3.900 488 HG23 VAL 62 2HG2 VAL 62 -4.062 2.298 3.778 489 H THR 63 H THR 63 -6.946 4.637 0.195 490 HA THR 63 HA THR 63 -7.902 2.486 -1.467 491 HB THR 63 HB THR 63 -9.525 4.046 -0.565 492 HG1 THR 63 1HG THR 63 -10.677 4.188 -2.414 493 HG21 THR 63 3HG2 THR 63 -9.636 6.370 -1.394 494 HG22 THR 63 1HG2 THR 63 -8.091 6.134 -2.210 495 HG23 THR 63 2HG2 THR 63 -8.179 6.061 -0.450 496 H LYS 64 H LYS 64 -6.062 5.467 -1.970 497 HA LYS 64 HA LYS 64 -6.044 5.269 -4.814 498 HB2 LYS 64 2HB LYS 64 -4.358 7.024 -4.750 499 HB3 LYS 64 1HB LYS 64 -5.684 7.405 -3.660 500 HG2 LYS 64 2HG LYS 64 -4.407 7.083 -1.774 501 HG3 LYS 64 1HG LYS 64 -3.259 6.030 -2.601 502 HD2 LYS 64 2HD LYS 64 -2.415 7.955 -3.860 503 HD3 LYS 64 1HD LYS 64 -3.547 9.005 -3.004 504 HE2 LYS 64 2HE LYS 64 -1.337 9.155 -2.011 505 HE3 LYS 64 1HE LYS 64 -2.469 8.414 -0.881 506 HZ1 LYS 64 3HZ LYS 64 -1.598 6.243 -1.486 507 HZ2 LYS 64 1HZ LYS 64 -0.357 7.243 -0.917 508 HZ3 LYS 64 2HZ LYS 64 -0.516 6.951 -2.575 509 H ALA 65 H ALA 65 -3.884 4.183 -2.258 510 HA ALA 65 HA ALA 65 -1.634 3.514 -3.731 511 HB1 ALA 65 1HB ALA 65 -1.095 1.946 -1.948 512 HB2 ALA 65 2HB ALA 65 -2.755 2.026 -1.358 513 HB3 ALA 65 3HB ALA 65 -1.723 3.454 -1.285 514 H ILE 66 H ILE 66 -4.697 1.882 -3.466 515 HA ILE 66 HA ILE 66 -3.902 -0.628 -4.511 516 HB ILE 66 HB ILE 66 -6.621 0.689 -4.557 517 HG12 ILE 66 2HG1 ILE 66 -5.701 0.375 -2.293 518 HG13 ILE 66 1HG1 ILE 66 -7.089 -0.666 -2.581 519 HG21 ILE 66 1HG2 ILE 66 -7.497 -1.585 -4.861 520 HG22 ILE 66 2HG2 ILE 66 -5.847 -2.189 -5.016 521 HG23 ILE 66 3HG2 ILE 66 -6.496 -1.070 -6.217 522 HD11 ILE 66 3HD1 ILE 66 -5.575 -2.550 -2.979 523 HD12 ILE 66 1HD1 ILE 66 -5.361 -1.847 -1.376 524 HD13 ILE 66 2HD1 ILE 66 -4.197 -1.498 -2.654 525 H ASN 67 H ASN 67 -5.105 2.333 -6.010 526 HA ASN 67 HA ASN 67 -5.438 1.262 -8.606 527 HB2 ASN 67 2HB ASN 67 -6.541 3.328 -7.929 528 HB3 ASN 67 1HB ASN 67 -4.981 4.119 -7.730 529 HD21 ASN 67 1HD2 ASN 67 -3.789 4.688 -9.546 530 HD22 ASN 67 2HD2 ASN 67 -4.498 4.772 -11.118 531 H ILE 68 H ILE 68 -2.736 2.932 -7.043 532 HA ILE 68 HA ILE 68 -1.131 3.095 -9.382 533 HB ILE 68 HB ILE 68 -0.259 3.164 -6.493 534 HG12 ILE 68 2HG1 ILE 68 -0.859 5.461 -8.367 535 HG13 ILE 68 1HG1 ILE 68 -1.971 4.873 -7.133 536 HG21 ILE 68 1HG2 ILE 68 1.708 4.369 -7.361 537 HG22 ILE 68 2HG2 ILE 68 1.140 4.074 -9.005 538 HG23 ILE 68 3HG2 ILE 68 1.603 2.719 -7.975 539 HD11 ILE 68 3HD1 ILE 68 0.767 6.012 -6.622 540 HD12 ILE 68 1HD1 ILE 68 -0.380 5.467 -5.399 541 HD13 ILE 68 2HD1 ILE 68 -0.762 6.862 -6.407 542 H PHE 69 H PHE 69 -1.030 0.905 -6.574 543 HA PHE 69 HA PHE 69 1.144 -0.634 -7.449 544 HB2 PHE 69 2HB PHE 69 0.323 -0.630 -5.130 545 HB3 PHE 69 1HB PHE 69 -1.135 -1.466 -5.648 546 HD1 PHE 69 1HD PHE 69 2.571 -1.826 -5.714 547 HD2 PHE 69 2HD PHE 69 -1.212 -3.765 -5.532 548 HE1 PHE 69 1HE PHE 69 3.700 -3.988 -5.392 549 HE2 PHE 69 2HE PHE 69 -0.091 -5.930 -5.208 550 HZ PHE 69 HZ PHE 69 2.368 -6.044 -5.139 551 H GLN 70 H GLN 70 -2.346 -1.123 -7.921 552 HA GLN 70 HA GLN 70 -2.135 -3.677 -9.069 553 HB2 GLN 70 2HB GLN 70 -4.410 -3.466 -9.696 554 HB3 GLN 70 1HB GLN 70 -4.232 -2.609 -8.176 555 HG2 GLN 70 2HG GLN 70 -4.236 -0.485 -9.344 556 HG3 GLN 70 1HG GLN 70 -4.333 -1.320 -10.893 557 HE21 GLN 70 1HE2 GLN 70 -6.170 0.614 -9.790 558 HE22 GLN 70 2HE2 GLN 70 -7.705 -0.170 -9.671 559 H LYS 71 H LYS 71 -2.578 -0.549 -10.722 560 HA LYS 71 HA LYS 71 -2.351 -1.636 -13.317 561 HB2 LYS 71 2HB LYS 71 -3.428 0.552 -12.676 562 HB3 LYS 71 1HB LYS 71 -1.810 1.221 -12.519 563 HG2 LYS 71 2HG LYS 71 -1.384 0.700 -14.878 564 HG3 LYS 71 1HG LYS 71 -3.031 0.083 -15.022 565 HD2 LYS 71 2HD LYS 71 -3.820 2.350 -14.245 566 HD3 LYS 71 1HD LYS 71 -2.156 2.904 -14.440 567 HE2 LYS 71 2HE LYS 71 -3.885 1.706 -16.598 568 HE3 LYS 71 1HE LYS 71 -3.520 3.420 -16.405 569 HZ1 LYS 71 3HZ LYS 71 -1.526 1.284 -16.938 570 HZ2 LYS 71 1HZ LYS 71 -1.185 2.933 -16.772 571 HZ3 LYS 71 2HZ LYS 71 -2.110 2.386 -18.078 572 H LEU 72 H LEU 72 0.067 -1.260 -11.008 573 HA LEU 72 HA LEU 72 2.107 -0.676 -13.048 574 HB2 LEU 72 2HB LEU 72 1.784 -0.137 -10.216 575 HB3 LEU 72 1HB LEU 72 3.363 -0.785 -10.602 576 HG LEU 72 HG LEU 72 3.359 1.654 -10.580 577 HD11 LEU 72 1HD1 LEU 72 4.915 0.482 -12.053 578 HD12 LEU 72 2HD1 LEU 72 4.422 2.031 -12.735 579 HD13 LEU 72 3HD1 LEU 72 3.724 0.535 -13.352 580 HD21 LEU 72 3HD2 LEU 72 2.160 2.902 -12.337 581 HD22 LEU 72 1HD2 LEU 72 1.069 2.089 -11.215 582 HD23 LEU 72 2HD2 LEU 72 1.354 1.409 -12.817 583 H ASN 73 H ASN 73 1.415 -3.073 -10.478 584 HA ASN 73 HA ASN 73 3.492 -4.736 -11.749 585 HB2 ASN 73 2HB ASN 73 2.844 -4.656 -8.806 586 HB3 ASN 73 1HB ASN 73 4.094 -5.631 -9.574 587 HD21 ASN 73 1HD2 ASN 73 5.943 -4.623 -10.380 588 HD22 ASN 73 2HD2 ASN 73 6.403 -3.035 -9.884 589 H TYR 74 H TYR 74 0.592 -4.996 -9.689 590 HA TYR 74 HA TYR 74 -0.003 -7.523 -11.060 591 HB2 TYR 74 2HB TYR 74 0.256 -7.175 -8.086 592 HB3 TYR 74 1HB TYR 74 -0.655 -8.503 -8.799 593 HD1 TYR 74 2HD TYR 74 0.499 -10.244 -10.097 594 HD2 TYR 74 1HD TYR 74 2.662 -7.132 -8.164 595 HE1 TYR 74 2HE TYR 74 2.576 -11.535 -10.357 596 HE2 TYR 74 1HE TYR 74 4.744 -8.412 -8.420 597 HH TYR 74 HH TYR 74 5.007 -11.113 -10.442 598 H MET 75 H MET 75 -1.494 -5.685 -11.957 599 HA MET 75 HA MET 75 -3.650 -4.685 -10.559 600 HB2 MET 75 2HB MET 75 -4.850 -4.664 -12.751 601 HB3 MET 75 1HB MET 75 -3.239 -3.963 -12.808 602 HG2 MET 75 2HG MET 75 -2.363 -6.003 -13.788 603 HG3 MET 75 1HG MET 75 -3.956 -6.750 -13.687 604 HE1 MET 75 3HE MET 75 -6.026 -4.620 -16.228 605 HE2 MET 75 1HE MET 75 -5.892 -4.407 -14.483 606 HE3 MET 75 2HE MET 75 -6.035 -6.028 -15.165 607 H HIS 76 H HIS 76 -2.999 -7.945 -11.367 608 HA HIS 76 HA HIS 76 -5.732 -8.850 -11.229 609 HB2 HIS 76 2HB HIS 76 -3.099 -10.329 -11.288 610 HB3 HIS 76 1HB HIS 76 -4.664 -11.132 -11.236 611 HD1 HIS 76 1HD HIS 76 -2.330 -9.407 -13.556 612 HD2 HIS 76 2HD HIS 76 -6.216 -10.874 -13.580 613 HE1 HIS 76 1HE HIS 76 -3.040 -9.495 -15.982 614 H ILE 77 H ILE 77 -2.857 -9.158 -9.139 615 HA ILE 77 HA ILE 77 -4.144 -10.521 -7.041 616 HB ILE 77 HB ILE 77 -1.676 -8.785 -7.037 617 HG12 ILE 77 2HG1 ILE 77 -2.043 -11.788 -6.918 618 HG13 ILE 77 1HG1 ILE 77 -1.561 -10.878 -8.345 619 HG21 ILE 77 1HG2 ILE 77 -2.762 -10.510 -4.813 620 HG22 ILE 77 2HG2 ILE 77 -2.604 -8.753 -4.802 621 HG23 ILE 77 3HG2 ILE 77 -1.162 -9.767 -4.834 622 HD11 ILE 77 3HD1 ILE 77 0.354 -11.926 -7.319 623 HD12 ILE 77 1HD1 ILE 77 -0.003 -11.135 -5.783 624 HD13 ILE 77 2HD1 ILE 77 0.479 -10.172 -7.180 625 H ALA 78 H ALA 78 -3.433 -7.065 -7.464 626 HA ALA 78 HA ALA 78 -4.427 -6.109 -5.067 627 HB1 ALA 78 1HB ALA 78 -3.183 -4.700 -6.581 628 HB2 ALA 78 2HB ALA 78 -4.750 -3.963 -6.243 629 HB3 ALA 78 3HB ALA 78 -4.477 -4.790 -7.776 630 H ASN 79 H ASN 79 -6.159 -7.152 -7.921 631 HA ASN 79 HA ASN 79 -8.635 -5.961 -7.511 632 HB2 ASN 79 2HB ASN 79 -7.910 -7.335 -9.504 633 HB3 ASN 79 1HB ASN 79 -8.224 -8.773 -8.539 634 HD21 ASN 79 1HD2 ASN 79 -9.468 -7.924 -11.008 635 HD22 ASN 79 2HD2 ASN 79 -11.158 -7.783 -10.683 636 H ALA 80 H ALA 80 -7.215 -8.789 -5.987 637 HA ALA 80 HA ALA 80 -9.600 -9.660 -4.695 638 HB1 ALA 80 1HB ALA 80 -6.731 -10.270 -4.003 639 HB2 ALA 80 2HB ALA 80 -7.727 -11.170 -5.147 640 HB3 ALA 80 3HB ALA 80 -8.151 -11.148 -3.435 641 H LEU 81 H LEU 81 -6.874 -7.630 -3.708 642 HA LEU 81 HA LEU 81 -7.696 -7.394 -0.994 643 HB2 LEU 81 2HB LEU 81 -5.815 -5.745 -2.673 644 HB3 LEU 81 1HB LEU 81 -6.070 -5.478 -0.959 645 HG LEU 81 HG LEU 81 -5.016 -8.044 -2.152 646 HD11 LEU 81 1HD1 LEU 81 -2.860 -7.345 -1.207 647 HD12 LEU 81 2HD1 LEU 81 -3.569 -5.792 -0.765 648 HD13 LEU 81 3HD1 LEU 81 -3.423 -6.242 -2.463 649 HD21 LEU 81 3HD2 LEU 81 -4.436 -8.571 0.181 650 HD22 LEU 81 1HD2 LEU 81 -6.176 -8.402 -0.053 651 HD23 LEU 81 2HD2 LEU 81 -5.258 -7.100 0.703 652 H GLU 82 H GLU 82 -8.092 -5.296 -3.836 653 HA GLU 82 HA GLU 82 -9.245 -3.105 -2.565 654 HB2 GLU 82 2HB GLU 82 -10.166 -2.499 -4.734 655 HB3 GLU 82 1HB GLU 82 -8.518 -3.083 -4.910 656 HG2 GLU 82 2HG GLU 82 -9.316 -5.215 -5.703 657 HG3 GLU 82 1HG GLU 82 -10.987 -4.718 -5.433 658 H GLU 83 H GLU 83 -10.590 -6.203 -3.362 659 HA GLU 83 HA GLU 83 -13.329 -5.531 -3.211 660 HB2 GLU 83 2HB GLU 83 -12.488 -7.624 -4.213 661 HB3 GLU 83 1HB GLU 83 -11.976 -8.172 -2.623 662 HG2 GLU 83 2HG GLU 83 -14.309 -8.143 -1.873 663 HG3 GLU 83 1HG GLU 83 -14.808 -7.628 -3.484 664 H LYS 84 H LYS 84 -10.923 -6.341 -0.802 665 HA LYS 84 HA LYS 84 -12.662 -6.827 1.363 666 HB2 LYS 84 2HB LYS 84 -10.300 -7.488 1.378 667 HB3 LYS 84 1HB LYS 84 -9.821 -5.796 1.383 668 HG2 LYS 84 2HG LYS 84 -10.798 -5.482 3.568 669 HG3 LYS 84 1HG LYS 84 -11.410 -7.136 3.562 670 HD2 LYS 84 2HD LYS 84 -9.391 -6.995 4.903 671 HD3 LYS 84 1HD LYS 84 -9.097 -7.973 3.464 672 HE2 LYS 84 2HE LYS 84 -7.261 -6.382 3.998 673 HE3 LYS 84 1HE LYS 84 -7.954 -6.159 2.392 674 HZ1 LYS 84 3HZ LYS 84 -8.587 -4.532 4.795 675 HZ2 LYS 84 1HZ LYS 84 -9.265 -4.320 3.260 676 HZ3 LYS 84 2HZ LYS 84 -7.613 -4.046 3.499 677 H LYS 85 H LYS 85 -11.454 -3.884 -0.069 678 HA LYS 85 HA LYS 85 -11.749 -2.063 1.984 679 HB2 LYS 85 2HB LYS 85 -12.408 -1.636 -0.935 680 HB3 LYS 85 1HB LYS 85 -12.122 -0.363 0.244 681 HG2 LYS 85 2HG LYS 85 -9.842 -1.628 0.571 682 HG3 LYS 85 1HG LYS 85 -10.196 -2.219 -1.052 683 HD2 LYS 85 2HD LYS 85 -10.034 0.673 -0.203 684 HD3 LYS 85 1HD LYS 85 -8.822 -0.205 -1.135 685 HE2 LYS 85 2HE LYS 85 -11.654 0.381 -1.994 686 HE3 LYS 85 1HE LYS 85 -10.201 1.184 -2.586 687 HZ1 LYS 85 3HZ LYS 85 -10.881 -1.686 -2.935 688 HZ2 LYS 85 1HZ LYS 85 -9.446 -0.958 -3.456 689 HZ3 LYS 85 2HZ LYS 85 -10.923 -0.495 -4.135 690 H LYS 86 H LYS 86 -14.243 -3.513 -0.032 691 HA LYS 86 HA LYS 86 -16.376 -1.829 0.553 692 HB2 LYS 86 2HB LYS 86 -16.339 -4.806 0.047 693 HB3 LYS 86 1HB LYS 86 -17.812 -3.850 0.130 694 HG2 LYS 86 2HG LYS 86 -17.059 -2.510 -1.764 695 HG3 LYS 86 1HG LYS 86 -15.571 -3.456 -1.845 696 HD2 LYS 86 2HD LYS 86 -18.342 -4.611 -2.138 697 HD3 LYS 86 1HD LYS 86 -17.310 -4.147 -3.492 698 HE2 LYS 86 2HE LYS 86 -15.598 -5.734 -2.690 699 HE3 LYS 86 1HE LYS 86 -16.694 -6.231 -1.400 700 HZ1 LYS 86 3HZ LYS 86 -17.230 -6.493 -4.309 701 HZ2 LYS 86 1HZ LYS 86 -18.262 -6.991 -3.065 702 HZ3 LYS 86 2HZ LYS 86 -16.768 -7.752 -3.280 703 H GLU 87 H GLU 87 -15.029 -4.499 2.418 704 HA GLU 87 HA GLU 87 -17.089 -4.426 4.418 705 HB2 GLU 87 2HB GLU 87 -15.852 -6.491 3.939 706 HB3 GLU 87 1HB GLU 87 -14.357 -5.725 4.457 707 HG2 GLU 87 2HG GLU 87 -15.283 -5.486 6.718 708 HG3 GLU 87 1HG GLU 87 -16.751 -6.305 6.187 709 H ALA 88 H ALA 88 -13.999 -2.919 3.916 710 HA ALA 88 HA ALA 88 -13.397 -2.109 6.522 711 HB1 ALA 88 1HB ALA 88 -11.932 -0.478 5.518 712 HB2 ALA 88 2HB ALA 88 -12.772 -0.622 3.975 713 HB3 ALA 88 3HB ALA 88 -11.844 -1.984 4.603 714 H GLU 89 H GLU 89 -15.691 -0.868 4.222 715 HA GLU 89 HA GLU 89 -16.087 1.722 5.073 716 HB2 GLU 89 2HB GLU 89 -18.224 -0.235 4.211 717 HB3 GLU 89 1HB GLU 89 -18.373 1.516 4.215 718 HG2 GLU 89 2HG GLU 89 -16.492 -0.114 2.524 719 HG3 GLU 89 1HG GLU 89 -17.955 0.707 1.980 720 H ARG 90 H ARG 90 -17.751 -1.187 6.313 721 HA ARG 90 HA ARG 90 -19.131 0.261 8.340 722 HB2 ARG 90 2HB ARG 90 -19.830 -1.916 9.171 723 HB3 ARG 90 1HB ARG 90 -19.995 -1.846 7.423 724 HG2 ARG 90 2HG ARG 90 -17.985 -3.144 7.137 725 HG3 ARG 90 1HG ARG 90 -17.695 -3.134 8.877 726 HD2 ARG 90 2HD ARG 90 -19.823 -4.340 9.204 727 HD3 ARG 90 1HD ARG 90 -20.033 -4.402 7.455 728 HE ARG 90 HE ARG 90 -17.610 -5.540 7.817 729 HH11 ARG 90 1HH1 ARG 90 -20.740 -6.095 9.242 730 HH12 ARG 90 2HH1 ARG 90 -20.460 -7.782 9.515 731 HH21 ARG 90 1HH2 ARG 90 -17.232 -7.761 8.172 732 HH22 ARG 90 2HH2 ARG 90 -18.468 -8.730 8.902 733 H LYS 91 H LYS 91 -15.957 -0.997 8.101 734 HA LYS 91 HA LYS 91 -15.494 -1.450 10.879 735 HB2 LYS 91 2HB LYS 91 -13.572 -0.961 8.598 736 HB3 LYS 91 1HB LYS 91 -13.079 -1.401 10.227 737 HG2 LYS 91 2HG LYS 91 -14.427 -3.485 9.995 738 HG3 LYS 91 1HG LYS 91 -14.701 -3.053 8.306 739 HD2 LYS 91 2HD LYS 91 -12.867 -4.591 8.390 740 HD3 LYS 91 1HD LYS 91 -12.224 -2.994 7.996 741 HE2 LYS 91 2HE LYS 91 -10.825 -4.137 9.642 742 HE3 LYS 91 1HE LYS 91 -11.551 -2.680 10.318 743 HZ1 LYS 91 3HZ LYS 91 -11.685 -4.492 11.883 744 HZ2 LYS 91 1HZ LYS 91 -12.487 -5.464 10.754 745 HZ3 LYS 91 2HZ LYS 91 -13.242 -4.080 11.366 746 H LEU 92 H LEU 92 -15.236 1.326 8.761 747 HA LEU 92 HA LEU 92 -13.740 2.953 10.554 748 HB2 LEU 92 2HB LEU 92 -15.513 3.688 8.226 749 HB3 LEU 92 1HB LEU 92 -14.490 4.821 9.087 750 HG LEU 92 HG LEU 92 -13.486 2.411 7.570 751 HD11 LEU 92 1HD1 LEU 92 -13.486 5.331 6.823 752 HD12 LEU 92 2HD1 LEU 92 -14.438 4.058 6.059 753 HD13 LEU 92 3HD1 LEU 92 -12.679 4.041 5.930 754 HD21 LEU 92 3HD2 LEU 92 -12.032 3.053 9.414 755 HD22 LEU 92 1HD2 LEU 92 -12.026 4.722 8.845 756 HD23 LEU 92 2HD2 LEU 92 -11.290 3.453 7.865 757 H MET 93 H MET 93 -16.856 1.810 10.738 758 HA MET 93 HA MET 93 -17.725 4.122 12.345 759 HB2 MET 93 2HB MET 93 -19.122 3.575 10.338 760 HB3 MET 93 1HB MET 93 -19.491 2.024 11.082 761 HG2 MET 93 2HG MET 93 -20.516 3.177 12.976 762 HG3 MET 93 1HG MET 93 -20.155 4.728 12.221 763 HE1 MET 93 3HE MET 93 -21.404 1.358 10.592 764 HE2 MET 93 1HE MET 93 -23.145 1.634 10.562 765 HE3 MET 93 2HE MET 93 -22.303 1.472 12.104 766 H THR 94 H THR 94 -17.285 0.657 12.261 767 HA THR 94 HA THR 94 -18.642 -0.022 14.625 768 HB THR 94 HB THR 94 -16.196 -1.361 13.448 769 HG1 THR 94 1HG THR 94 -18.973 -1.882 13.049 770 HG21 THR 94 3HG2 THR 94 -18.313 -2.422 15.324 771 HG22 THR 94 1HG2 THR 94 -16.644 -2.053 15.756 772 HG23 THR 94 2HG2 THR 94 -16.994 -3.358 14.622 773 H ASN 95 H ASN 95 -18.021 -0.148 16.746 774 HA ASN 95 HA ASN 95 -15.532 1.264 17.434 775 HB2 ASN 95 2HB ASN 95 -18.020 0.918 19.120 776 HB3 ASN 95 1HB ASN 95 -16.603 1.877 19.537 777 HD21 ASN 95 1HD2 ASN 95 -16.210 3.809 18.429 778 HD22 ASN 95 2HD2 ASN 95 -17.461 4.622 17.559 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -9.716 -3.927 13.426 2 H2 MET 1 2HT MET 1 -8.355 -3.837 12.426 3 H3 MET 1 3HT MET 1 -9.894 -3.563 11.783 4 HA MET 1 HA MET 1 -10.150 -1.576 13.081 5 HB2 MET 1 2HB MET 1 -7.402 -2.318 14.096 6 HB3 MET 1 1HB MET 1 -8.125 -0.731 14.321 7 HG2 MET 1 2HG MET 1 -9.238 -3.335 15.344 8 HG3 MET 1 1HG MET 1 -8.368 -2.136 16.299 9 HE1 MET 1 2HE MET 1 -9.526 0.582 15.046 10 HE2 MET 1 3HE MET 1 -9.288 0.318 16.773 11 HE3 MET 1 1HE MET 1 -10.837 0.914 16.178 12 H GLU 2 H GLU 2 -8.843 0.519 12.667 13 HA GLU 2 HA GLU 2 -8.328 0.666 9.895 14 HB2 GLU 2 2HB GLU 2 -9.186 2.583 11.091 15 HB3 GLU 2 1HB GLU 2 -7.765 2.626 12.125 16 HG2 GLU 2 2HG GLU 2 -7.650 4.367 10.461 17 HG3 GLU 2 1HG GLU 2 -6.380 3.177 10.182 18 H SER 3 H SER 3 -6.219 0.491 12.716 19 HA SER 3 HA SER 3 -3.784 1.018 11.407 20 HB2 SER 3 2HB SER 3 -4.291 -0.676 13.868 21 HB3 SER 3 1HB SER 3 -2.724 -0.041 13.365 22 HG SER 3 HG SER 3 -4.569 1.154 14.837 23 H GLU 4 H GLU 4 -5.552 -1.984 11.985 24 HA GLU 4 HA GLU 4 -3.533 -3.657 10.837 25 HB2 GLU 4 2HB GLU 4 -5.119 -4.489 12.529 26 HB3 GLU 4 1HB GLU 4 -6.447 -4.233 11.409 27 HG2 GLU 4 2HG GLU 4 -5.864 -6.560 11.451 28 HG3 GLU 4 1HG GLU 4 -5.444 -5.878 9.880 29 H TYR 5 H TYR 5 -6.324 -1.944 9.671 30 HA TYR 5 HA TYR 5 -6.600 -3.344 7.208 31 HB2 TYR 5 2HB TYR 5 -8.497 -2.161 8.060 32 HB3 TYR 5 1HB TYR 5 -7.590 -0.655 8.153 33 HD1 TYR 5 1HD TYR 5 -8.609 -3.206 5.616 34 HD2 TYR 5 2HD TYR 5 -7.909 0.900 6.482 35 HE1 TYR 5 1HE TYR 5 -9.389 -2.606 3.363 36 HE2 TYR 5 2HE TYR 5 -8.688 1.513 4.231 37 HH TYR 5 HH TYR 5 -8.916 0.465 2.010 38 H ARG 6 H ARG 6 -4.788 -0.514 8.233 39 HA ARG 6 HA ARG 6 -4.024 0.176 5.539 40 HB2 ARG 6 2HB ARG 6 -2.674 1.925 6.585 41 HB3 ARG 6 1HB ARG 6 -4.314 1.931 7.217 42 HG2 ARG 6 2HG ARG 6 -3.511 0.693 9.201 43 HG3 ARG 6 1HG ARG 6 -1.866 0.823 8.574 44 HD2 ARG 6 2HD ARG 6 -2.080 3.280 8.609 45 HD3 ARG 6 1HD ARG 6 -3.690 3.112 9.306 46 HE ARG 6 HE ARG 6 -1.726 1.751 10.854 47 HH11 ARG 6 1HH1 ARG 6 -3.044 4.904 10.169 48 HH12 ARG 6 2HH1 ARG 6 -2.601 5.565 11.707 49 HH21 ARG 6 1HH2 ARG 6 -1.140 2.612 12.881 50 HH22 ARG 6 2HH2 ARG 6 -1.518 4.262 13.249 51 H GLU 7 H GLU 7 -2.530 -1.414 8.314 52 HA GLU 7 HA GLU 7 0.066 -1.586 7.157 53 HB2 GLU 7 2HB GLU 7 -0.379 -1.677 9.595 54 HB3 GLU 7 1HB GLU 7 -1.128 -3.252 9.374 55 HG2 GLU 7 2HG GLU 7 0.965 -4.188 8.626 56 HG3 GLU 7 1HG GLU 7 1.735 -2.604 8.709 57 H MET 8 H MET 8 -2.489 -4.031 7.634 58 HA MET 8 HA MET 8 -1.142 -6.141 6.376 59 HB2 MET 8 2HB MET 8 -3.033 -6.581 7.791 60 HB3 MET 8 1HB MET 8 -4.091 -5.631 6.761 61 HG2 MET 8 2HG MET 8 -4.540 -7.922 6.348 62 HG3 MET 8 1HG MET 8 -3.693 -7.282 4.941 63 HE1 MET 8 3HE MET 8 -1.921 -10.147 8.084 64 HE2 MET 8 1HE MET 8 -3.597 -9.602 8.027 65 HE3 MET 8 2HE MET 8 -2.320 -8.477 8.490 66 H LEU 9 H LEU 9 -3.587 -3.913 5.047 67 HA LEU 9 HA LEU 9 -3.768 -5.024 2.505 68 HB2 LEU 9 2HB LEU 9 -5.305 -3.330 3.404 69 HB3 LEU 9 1HB LEU 9 -4.045 -2.119 3.267 70 HG LEU 9 HG LEU 9 -4.818 -3.595 0.798 71 HD11 LEU 9 1HD1 LEU 9 -6.977 -3.075 1.762 72 HD12 LEU 9 2HD1 LEU 9 -6.654 -2.006 0.397 73 HD13 LEU 9 3HD1 LEU 9 -6.477 -1.409 2.046 74 HD21 LEU 9 3HD2 LEU 9 -3.037 -2.024 0.602 75 HD22 LEU 9 1HD2 LEU 9 -3.950 -0.788 1.465 76 HD23 LEU 9 2HD2 LEU 9 -4.458 -1.296 -0.144 77 H LEU 10 H LEU 10 -1.345 -2.849 3.814 78 HA LEU 10 HA LEU 10 -0.213 -2.257 1.232 79 HB2 LEU 10 2HB LEU 10 0.697 -1.691 4.044 80 HB3 LEU 10 1HB LEU 10 1.628 -1.232 2.631 81 HG LEU 10 HG LEU 10 -1.198 -0.305 3.124 82 HD11 LEU 10 1HD1 LEU 10 1.393 1.115 3.719 83 HD12 LEU 10 2HD1 LEU 10 0.255 0.492 4.913 84 HD13 LEU 10 3HD1 LEU 10 -0.223 1.810 3.844 85 HD21 LEU 10 3HD2 LEU 10 -0.644 1.380 1.444 86 HD22 LEU 10 1HD2 LEU 10 -0.476 -0.249 0.792 87 HD23 LEU 10 2HD2 LEU 10 0.958 0.670 1.251 88 H LEU 11 H LEU 11 1.116 -3.904 4.109 89 HA LEU 11 HA LEU 11 3.426 -4.862 2.939 90 HB2 LEU 11 2HB LEU 11 3.607 -6.375 4.770 91 HB3 LEU 11 1HB LEU 11 2.917 -4.878 5.356 92 HG LEU 11 HG LEU 11 0.634 -6.149 5.003 93 HD11 LEU 11 1HD1 LEU 11 2.633 -8.383 5.291 94 HD12 LEU 11 2HD1 LEU 11 1.465 -8.148 3.992 95 HD13 LEU 11 3HD1 LEU 11 0.907 -8.551 5.615 96 HD21 LEU 11 3HD2 LEU 11 1.468 -5.283 7.124 97 HD22 LEU 11 1HD2 LEU 11 2.500 -6.701 7.305 98 HD23 LEU 11 2HD2 LEU 11 0.746 -6.879 7.331 99 H THR 12 H THR 12 0.184 -6.075 2.583 100 HA THR 12 HA THR 12 0.869 -8.689 1.703 101 HB THR 12 HB THR 12 -1.466 -8.600 0.634 102 HG1 THR 12 1HG THR 12 -2.704 -6.854 1.082 103 HG21 THR 12 3HG2 THR 12 -1.134 -8.135 3.599 104 HG22 THR 12 1HG2 THR 12 -1.032 -9.685 2.766 105 HG23 THR 12 2HG2 THR 12 -2.565 -8.818 2.827 106 H GLY 13 H GLY 13 1.655 -5.851 0.310 107 HA2 GLY 13 2HA GLY 13 1.509 -7.002 -2.408 108 HA3 GLY 13 1HA GLY 13 1.320 -5.283 -2.100 109 H LEU 14 H LEU 14 3.467 -5.431 -0.003 110 HA LEU 14 HA LEU 14 5.674 -4.959 -1.807 111 HB2 LEU 14 2HB LEU 14 5.372 -4.692 1.181 112 HB3 LEU 14 1HB LEU 14 6.893 -4.414 0.357 113 HG LEU 14 HG LEU 14 5.872 -2.295 0.780 114 HD11 LEU 14 1HD1 LEU 14 5.624 -1.391 -1.481 115 HD12 LEU 14 2HD1 LEU 14 5.529 -3.031 -2.120 116 HD13 LEU 14 3HD1 LEU 14 7.012 -2.470 -1.349 117 HD21 LEU 14 3HD2 LEU 14 3.437 -3.297 -0.683 118 HD22 LEU 14 1HD2 LEU 14 3.666 -1.686 -0.004 119 HD23 LEU 14 2HD2 LEU 14 3.569 -3.086 1.063 120 H ASP 15 H ASP 15 5.009 -7.139 0.925 121 HA ASP 15 HA ASP 15 7.460 -8.583 0.596 122 HB2 ASP 15 2HB ASP 15 6.308 -8.379 2.781 123 HB3 ASP 15 1HB ASP 15 4.981 -9.353 2.153 124 H HIS 16 H HIS 16 4.716 -8.525 -1.234 125 HA HIS 16 HA HIS 16 4.917 -11.369 -1.960 126 HB2 HIS 16 2HB HIS 16 2.707 -9.352 -2.310 127 HB3 HIS 16 1HB HIS 16 2.724 -10.879 -3.186 128 HD1 HIS 16 1HD HIS 16 1.745 -12.856 -1.975 129 HD2 HIS 16 2HD HIS 16 2.665 -9.712 0.578 130 HE1 HIS 16 1HE HIS 16 0.855 -13.506 0.300 131 H ILE 17 H ILE 17 6.471 -8.786 -2.841 132 HA ILE 17 HA ILE 17 6.486 -9.548 -5.674 133 HB ILE 17 HB ILE 17 6.731 -7.210 -6.368 134 HG12 ILE 17 2HG1 ILE 17 6.078 -6.554 -3.484 135 HG13 ILE 17 1HG1 ILE 17 7.647 -6.325 -4.251 136 HG21 ILE 17 1HG2 ILE 17 4.527 -8.304 -6.367 137 HG22 ILE 17 2HG2 ILE 17 4.411 -6.564 -6.105 138 HG23 ILE 17 3HG2 ILE 17 4.231 -7.674 -4.747 139 HD11 ILE 17 3HD1 ILE 17 6.686 -4.688 -5.764 140 HD12 ILE 17 1HD1 ILE 17 6.393 -4.239 -4.084 141 HD13 ILE 17 2HD1 ILE 17 5.095 -4.942 -5.046 142 H THR 18 H THR 18 8.451 -8.599 -6.811 143 HA THR 18 HA THR 18 10.774 -9.338 -5.284 144 HB THR 18 HB THR 18 11.992 -8.779 -7.440 145 HG1 THR 18 1HG THR 18 10.595 -8.527 -9.272 146 HG21 THR 18 3HG2 THR 18 11.180 -10.769 -8.596 147 HG22 THR 18 1HG2 THR 18 9.719 -10.761 -7.606 148 HG23 THR 18 2HG2 THR 18 11.290 -11.060 -6.859 149 H GLU 19 H GLU 19 12.750 -8.014 -5.276 150 HA GLU 19 HA GLU 19 12.314 -5.525 -4.071 151 HB2 GLU 19 2HB GLU 19 14.727 -5.257 -4.094 152 HB3 GLU 19 1HB GLU 19 14.308 -6.908 -3.659 153 HG2 GLU 19 2HG GLU 19 15.107 -6.068 -6.433 154 HG3 GLU 19 1HG GLU 19 16.239 -6.670 -5.224 155 H GLU 20 H GLU 20 13.033 -6.386 -7.402 156 HA GLU 20 HA GLU 20 13.730 -3.836 -8.338 157 HB2 GLU 20 2HB GLU 20 13.098 -4.692 -10.575 158 HB3 GLU 20 1HB GLU 20 14.130 -5.805 -9.688 159 HG2 GLU 20 2HG GLU 20 12.123 -7.100 -9.057 160 HG3 GLU 20 1HG GLU 20 11.152 -6.022 -10.059 161 H GLU 21 H GLU 21 10.606 -5.372 -7.848 162 HA GLU 21 HA GLU 21 9.119 -3.245 -9.080 163 HB2 GLU 21 2HB GLU 21 8.202 -5.499 -7.284 164 HB3 GLU 21 1HB GLU 21 7.142 -4.422 -8.182 165 HG2 GLU 21 2HG GLU 21 9.118 -6.367 -9.350 166 HG3 GLU 21 1HG GLU 21 7.364 -6.538 -9.323 167 H LEU 22 H LEU 22 10.243 -4.017 -5.873 168 HA LEU 22 HA LEU 22 8.535 -2.432 -4.336 169 HB2 LEU 22 2HB LEU 22 11.427 -3.174 -3.918 170 HB3 LEU 22 1HB LEU 22 10.462 -2.345 -2.713 171 HG LEU 22 HG LEU 22 9.867 -5.095 -3.817 172 HD11 LEU 22 1HD1 LEU 22 10.958 -4.284 -1.126 173 HD12 LEU 22 2HD1 LEU 22 11.891 -5.031 -2.423 174 HD13 LEU 22 3HD1 LEU 22 10.578 -5.922 -1.654 175 HD21 LEU 22 3HD2 LEU 22 7.876 -3.818 -3.109 176 HD22 LEU 22 1HD2 LEU 22 8.608 -3.603 -1.520 177 HD23 LEU 22 2HD2 LEU 22 8.188 -5.220 -2.085 178 H LYS 23 H LYS 23 11.661 -1.586 -5.809 179 HA LYS 23 HA LYS 23 11.668 1.086 -4.863 180 HB2 LYS 23 2HB LYS 23 13.490 1.427 -6.504 181 HB3 LYS 23 1HB LYS 23 13.737 0.007 -5.496 182 HG2 LYS 23 2HG LYS 23 12.938 -1.419 -7.315 183 HG3 LYS 23 1HG LYS 23 12.702 0.009 -8.323 184 HD2 LYS 23 2HD LYS 23 15.103 0.505 -8.161 185 HD3 LYS 23 1HD LYS 23 15.329 -0.945 -7.180 186 HE2 LYS 23 2HE LYS 23 14.543 -2.325 -9.038 187 HE3 LYS 23 1HE LYS 23 14.301 -0.879 -10.017 188 HZ1 LYS 23 3HZ LYS 23 16.904 -1.836 -8.950 189 HZ2 LYS 23 1HZ LYS 23 16.678 -0.440 -9.878 190 HZ3 LYS 23 2HZ LYS 23 16.385 -1.962 -10.555 191 H ARG 24 H ARG 24 10.374 -0.440 -7.739 192 HA ARG 24 HA ARG 24 9.994 1.905 -9.268 193 HB2 ARG 24 2HB ARG 24 8.622 -0.778 -9.335 194 HB3 ARG 24 1HB ARG 24 8.278 0.503 -10.488 195 HG2 ARG 24 2HG ARG 24 10.602 0.478 -11.222 196 HG3 ARG 24 1HG ARG 24 10.958 -0.801 -10.060 197 HD2 ARG 24 2HD ARG 24 10.629 -1.766 -12.249 198 HD3 ARG 24 1HD ARG 24 9.304 -2.242 -11.188 199 HE ARG 24 HE ARG 24 8.388 -0.007 -12.458 200 HH11 ARG 24 1HH1 ARG 24 9.660 -3.080 -13.502 201 HH12 ARG 24 2HH1 ARG 24 8.732 -3.111 -14.964 202 HH21 ARG 24 1HH2 ARG 24 7.164 -0.042 -14.380 203 HH22 ARG 24 2HH2 ARG 24 7.312 -1.385 -15.464 204 H PHE 25 H PHE 25 7.713 0.068 -7.236 205 HA PHE 25 HA PHE 25 5.479 1.671 -7.608 206 HB2 PHE 25 2HB PHE 25 5.338 -0.484 -6.501 207 HB3 PHE 25 1HB PHE 25 6.311 0.105 -5.158 208 HD1 PHE 25 2HD PHE 25 3.140 0.890 -6.959 209 HD2 PHE 25 1HD PHE 25 5.244 0.830 -3.260 210 HE1 PHE 25 2HE PHE 25 1.093 1.592 -5.787 211 HE2 PHE 25 1HE PHE 25 3.202 1.530 -2.082 212 HZ PHE 25 HZ PHE 25 1.123 1.912 -3.345 213 H LYS 26 H LYS 26 8.124 2.024 -5.286 214 HA LYS 26 HA LYS 26 6.994 4.200 -3.869 215 HB2 LYS 26 2HB LYS 26 9.812 3.179 -4.156 216 HB3 LYS 26 1HB LYS 26 9.427 4.588 -3.179 217 HG2 LYS 26 2HG LYS 26 7.923 3.211 -1.813 218 HG3 LYS 26 1HG LYS 26 8.361 1.800 -2.779 219 HD2 LYS 26 2HD LYS 26 10.658 1.966 -2.067 220 HD3 LYS 26 1HD LYS 26 10.324 3.476 -1.219 221 HE2 LYS 26 2HE LYS 26 10.439 1.607 0.340 222 HE3 LYS 26 1HE LYS 26 8.815 2.295 0.296 223 HZ1 LYS 26 3HZ LYS 26 8.734 -0.110 0.279 224 HZ2 LYS 26 1HZ LYS 26 9.699 -0.168 -1.110 225 HZ3 LYS 26 2HZ LYS 26 8.146 0.496 -1.186 226 H TYR 27 H TYR 27 8.745 3.967 -6.855 227 HA TYR 27 HA TYR 27 9.588 6.690 -6.959 228 HB2 TYR 27 2HB TYR 27 10.736 4.942 -8.231 229 HB3 TYR 27 1HB TYR 27 9.282 4.671 -9.186 230 HD1 TYR 27 2HD TYR 27 11.554 7.489 -8.234 231 HD2 TYR 27 1HD TYR 27 9.171 5.677 -11.257 232 HE1 TYR 27 2HE TYR 27 12.287 9.208 -9.834 233 HE2 TYR 27 1HE TYR 27 9.896 7.388 -12.865 234 HH TYR 27 HH TYR 27 12.491 9.492 -12.268 235 H PHE 28 H PHE 28 6.824 4.923 -8.320 236 HA PHE 28 HA PHE 28 5.818 7.197 -9.730 237 HB2 PHE 28 2HB PHE 28 4.653 4.503 -9.061 238 HB3 PHE 28 1HB PHE 28 3.716 5.742 -9.889 239 HD1 PHE 28 2HD PHE 28 6.596 3.483 -10.141 240 HD2 PHE 28 1HD PHE 28 4.139 6.300 -12.174 241 HE1 PHE 28 2HE PHE 28 7.567 2.774 -12.288 242 HE2 PHE 28 1HE PHE 28 5.103 5.596 -14.323 243 HZ PHE 28 HZ PHE 28 6.820 3.831 -14.383 244 H ALA 29 H ALA 29 4.686 5.496 -6.792 245 HA ALA 29 HA ALA 29 2.617 7.314 -6.215 246 HB1 ALA 29 1HB ALA 29 4.160 5.503 -4.365 247 HB2 ALA 29 2HB ALA 29 2.661 5.118 -5.211 248 HB3 ALA 29 3HB ALA 29 2.670 6.346 -3.944 249 H LEU 30 H LEU 30 5.890 7.059 -4.827 250 HA LEU 30 HA LEU 30 5.569 9.735 -3.688 251 HB2 LEU 30 2HB LEU 30 7.839 7.792 -3.262 252 HB3 LEU 30 1HB LEU 30 7.525 9.255 -2.356 253 HG LEU 30 HG LEU 30 6.808 7.579 -0.923 254 HD11 LEU 30 1HD1 LEU 30 5.088 9.265 -1.116 255 HD12 LEU 30 2HD1 LEU 30 4.362 7.683 -0.839 256 HD13 LEU 30 3HD1 LEU 30 4.345 8.389 -2.454 257 HD21 LEU 30 3HD2 LEU 30 5.470 6.204 -3.245 258 HD22 LEU 30 1HD2 LEU 30 5.504 5.635 -1.577 259 HD23 LEU 30 2HD2 LEU 30 6.999 5.730 -2.507 260 H THR 31 H THR 31 5.830 11.060 -5.457 261 HA THR 31 HA THR 31 8.194 10.767 -7.128 262 HB THR 31 HB THR 31 7.265 12.623 -8.443 263 HG1 THR 31 1HG THR 31 6.089 13.913 -7.193 264 HG21 THR 31 3HG2 THR 31 6.554 10.361 -8.983 265 HG22 THR 31 1HG2 THR 31 5.219 11.488 -9.221 266 HG23 THR 31 2HG2 THR 31 5.261 10.461 -7.787 267 H GLU 32 H GLU 32 6.752 13.241 -5.008 268 HA GLU 32 HA GLU 32 9.254 14.745 -5.085 269 HB2 GLU 32 2HB GLU 32 7.989 16.501 -3.902 270 HB3 GLU 32 1HB GLU 32 7.228 16.032 -5.415 271 HG2 GLU 32 2HG GLU 32 5.585 14.726 -4.240 272 HG3 GLU 32 1HG GLU 32 6.391 15.032 -2.703 273 H PHE 33 H PHE 33 8.203 12.210 -3.343 274 HA PHE 33 HA PHE 33 9.184 13.237 -0.774 275 HB2 PHE 33 2HB PHE 33 7.861 10.583 -1.354 276 HB3 PHE 33 1HB PHE 33 8.215 11.254 0.234 277 HD1 PHE 33 2HD PHE 33 7.121 13.567 0.746 278 HD2 PHE 33 1HD PHE 33 5.763 10.879 -2.263 279 HE1 PHE 33 2HE PHE 33 4.909 14.643 0.788 280 HE2 PHE 33 1HE PHE 33 3.551 11.953 -2.228 281 HZ PHE 33 HZ PHE 33 3.120 13.835 -0.700 282 H GLN 34 H GLN 34 10.005 11.108 -3.369 283 HA GLN 34 HA GLN 34 11.719 9.629 -3.707 284 HB2 GLN 34 2HB GLN 34 12.731 11.905 -3.904 285 HB3 GLN 34 1HB GLN 34 13.265 11.764 -2.236 286 HG2 GLN 34 2HG GLN 34 15.060 11.251 -3.788 287 HG3 GLN 34 1HG GLN 34 14.634 9.842 -2.817 288 HE21 GLN 34 1HE2 GLN 34 13.634 8.090 -3.792 289 HE22 GLN 34 2HE2 GLN 34 13.591 7.887 -5.507 290 H ILE 35 H ILE 35 10.640 8.182 -2.008 291 HA ILE 35 HA ILE 35 11.663 7.998 0.600 292 HB ILE 35 HB ILE 35 10.317 5.971 -1.171 293 HG12 ILE 35 2HG1 ILE 35 9.484 7.431 1.345 294 HG13 ILE 35 1HG1 ILE 35 8.941 7.796 -0.289 295 HG21 ILE 35 1HG2 ILE 35 11.245 5.569 1.672 296 HG22 ILE 35 2HG2 ILE 35 11.820 4.705 0.245 297 HG23 ILE 35 3HG2 ILE 35 10.159 4.491 0.796 298 HD11 ILE 35 3HD1 ILE 35 7.227 6.587 0.881 299 HD12 ILE 35 1HD1 ILE 35 8.361 5.297 1.283 300 HD13 ILE 35 2HD1 ILE 35 7.891 5.566 -0.395 301 H ALA 36 H ALA 36 13.315 6.872 1.509 302 HA ALA 36 HA ALA 36 15.630 6.414 -0.047 303 HB1 ALA 36 1HB ALA 36 14.978 5.700 2.803 304 HB2 ALA 36 2HB ALA 36 15.846 7.122 2.226 305 HB3 ALA 36 3HB ALA 36 16.575 5.522 2.076 306 H ARG 37 H ARG 37 16.631 4.561 -0.708 307 HA ARG 37 HA ARG 37 15.012 2.322 -1.324 308 HB2 ARG 37 2HB ARG 37 17.146 1.310 -2.124 309 HB3 ARG 37 1HB ARG 37 16.826 2.909 -2.783 310 HG2 ARG 37 2HG ARG 37 18.391 3.893 -1.208 311 HG3 ARG 37 1HG ARG 37 18.684 2.310 -0.489 312 HD2 ARG 37 2HD ARG 37 19.585 1.501 -2.600 313 HD3 ARG 37 1HD ARG 37 19.250 3.058 -3.356 314 HE ARG 37 HE ARG 37 20.911 3.352 -1.067 315 HH11 ARG 37 1HH1 ARG 37 20.940 2.391 -4.416 316 HH12 ARG 37 2HH1 ARG 37 22.609 2.788 -4.648 317 HH21 ARG 37 1HH2 ARG 37 23.108 3.877 -1.363 318 HH22 ARG 37 2HH2 ARG 37 23.844 3.627 -2.911 319 H SER 38 H SER 38 17.352 2.970 1.212 320 HA SER 38 HA SER 38 17.740 0.362 2.145 321 HB2 SER 38 2HB SER 38 18.476 1.419 4.243 322 HB3 SER 38 1HB SER 38 19.146 2.246 2.837 323 HG SER 38 HG SER 38 17.593 3.231 4.791 324 H THR 39 H THR 39 15.089 2.573 2.614 325 HA THR 39 HA THR 39 13.961 1.465 4.933 326 HB THR 39 HB THR 39 11.894 2.548 4.320 327 HG1 THR 39 1HG THR 39 11.946 1.908 2.069 328 HG21 THR 39 3HG2 THR 39 12.692 4.837 3.906 329 HG22 THR 39 1HG2 THR 39 14.271 4.196 3.451 330 HG23 THR 39 2HG2 THR 39 13.686 4.006 5.103 331 H LEU 40 H LEU 40 14.038 0.298 1.686 332 HA LEU 40 HA LEU 40 11.746 -1.213 1.473 333 HB2 LEU 40 2HB LEU 40 14.478 -1.412 0.354 334 HB3 LEU 40 1HB LEU 40 13.477 -2.844 0.231 335 HG LEU 40 HG LEU 40 11.748 -1.503 -0.938 336 HD11 LEU 40 1HD1 LEU 40 13.835 0.670 -0.976 337 HD12 LEU 40 2HD1 LEU 40 12.382 0.686 0.023 338 HD13 LEU 40 3HD1 LEU 40 12.243 0.713 -1.734 339 HD21 LEU 40 3HD2 LEU 40 14.498 -1.447 -2.174 340 HD22 LEU 40 1HD2 LEU 40 12.976 -1.291 -3.050 341 HD23 LEU 40 2HD2 LEU 40 13.362 -2.796 -2.214 342 H ASP 41 H ASP 41 14.366 -1.730 3.642 343 HA ASP 41 HA ASP 41 14.209 -4.510 3.987 344 HB2 ASP 41 2HB ASP 41 15.106 -2.271 5.786 345 HB3 ASP 41 1HB ASP 41 15.098 -3.942 6.344 346 H VAL 42 H VAL 42 12.369 -1.885 5.456 347 HA VAL 42 HA VAL 42 10.407 -3.853 6.400 348 HB VAL 42 HB VAL 42 10.113 -2.496 8.499 349 HG11 VAL 42 1HG1 VAL 42 12.762 -3.885 8.107 350 HG12 VAL 42 2HG1 VAL 42 11.232 -4.648 8.542 351 HG13 VAL 42 3HG1 VAL 42 12.013 -3.534 9.665 352 HG21 VAL 42 3HG2 VAL 42 11.991 -1.109 9.237 353 HG22 VAL 42 1HG2 VAL 42 11.252 -0.469 7.770 354 HG23 VAL 42 2HG2 VAL 42 12.779 -1.347 7.678 355 H ALA 43 H ALA 43 10.820 -1.620 4.324 356 HA ALA 43 HA ALA 43 9.272 0.587 4.716 357 HB1 ALA 43 1HB ALA 43 8.939 0.651 2.307 358 HB2 ALA 43 2HB ALA 43 9.459 -1.031 2.189 359 HB3 ALA 43 3HB ALA 43 10.596 0.210 2.717 360 H ASP 44 H ASP 44 8.111 -2.656 3.947 361 HA ASP 44 HA ASP 44 5.513 -1.942 3.218 362 HB2 ASP 44 2HB ASP 44 4.909 -4.270 3.802 363 HB3 ASP 44 1HB ASP 44 6.361 -4.164 2.813 364 H ARG 45 H ARG 45 6.607 -3.052 6.458 365 HA ARG 45 HA ARG 45 4.032 -2.380 7.541 366 HB2 ARG 45 2HB ARG 45 5.062 -3.094 9.720 367 HB3 ARG 45 1HB ARG 45 4.999 -4.308 8.451 368 HG2 ARG 45 2HG ARG 45 7.394 -3.719 7.928 369 HG3 ARG 45 1HG ARG 45 7.391 -2.766 9.413 370 HD2 ARG 45 2HD ARG 45 8.303 -5.030 9.748 371 HD3 ARG 45 1HD ARG 45 6.863 -4.729 10.719 372 HE ARG 45 HE ARG 45 6.053 -5.920 8.330 373 HH11 ARG 45 1HH1 ARG 45 7.920 -6.721 11.163 374 HH12 ARG 45 2HH1 ARG 45 7.537 -8.408 11.094 375 HH21 ARG 45 1HH2 ARG 45 5.540 -8.140 8.238 376 HH22 ARG 45 2HH2 ARG 45 6.184 -9.215 9.433 377 H THR 46 H THR 46 7.304 -1.225 8.443 378 HA THR 46 HA THR 46 6.139 0.858 10.053 379 HB THR 46 HB THR 46 9.043 0.303 9.499 380 HG1 THR 46 1HG THR 46 7.905 -0.339 11.942 381 HG21 THR 46 3HG2 THR 46 9.409 1.561 11.589 382 HG22 THR 46 1HG2 THR 46 7.688 1.942 11.647 383 HG23 THR 46 2HG2 THR 46 8.685 2.563 10.331 384 H GLU 47 H GLU 47 8.493 1.030 7.348 385 HA GLU 47 HA GLU 47 8.521 3.865 7.421 386 HB2 GLU 47 2HB GLU 47 9.798 1.756 5.834 387 HB3 GLU 47 1HB GLU 47 9.655 3.320 5.039 388 HG2 GLU 47 2HG GLU 47 10.942 2.795 7.711 389 HG3 GLU 47 1HG GLU 47 11.786 3.089 6.191 390 H LEU 48 H LEU 48 7.343 1.786 4.742 391 HA LEU 48 HA LEU 48 6.325 3.977 3.295 392 HB2 LEU 48 2HB LEU 48 6.697 1.305 2.783 393 HB3 LEU 48 1HB LEU 48 4.951 1.453 2.786 394 HG LEU 48 HG LEU 48 6.849 3.048 1.065 395 HD11 LEU 48 1HD1 LEU 48 5.889 1.759 -0.780 396 HD12 LEU 48 2HD1 LEU 48 4.955 0.809 0.374 397 HD13 LEU 48 3HD1 LEU 48 6.716 0.722 0.380 398 HD21 LEU 48 3HD2 LEU 48 3.832 2.994 1.129 399 HD22 LEU 48 1HD2 LEU 48 4.823 3.846 -0.057 400 HD23 LEU 48 2HD2 LEU 48 4.860 4.333 1.638 401 H ALA 49 H ALA 49 4.669 1.658 5.422 402 HA ALA 49 HA ALA 49 2.066 2.510 5.011 403 HB1 ALA 49 1HB ALA 49 1.519 1.503 7.125 404 HB2 ALA 49 2HB ALA 49 3.208 1.562 7.631 405 HB3 ALA 49 3HB ALA 49 2.722 0.508 6.302 406 H ASP 50 H ASP 50 4.287 3.626 7.577 407 HA ASP 50 HA ASP 50 2.513 5.609 8.547 408 HB2 ASP 50 2HB ASP 50 4.309 4.684 9.930 409 HB3 ASP 50 1HB ASP 50 5.513 5.393 8.858 410 H HIS 51 H HIS 51 5.029 5.645 6.105 411 HA HIS 51 HA HIS 51 5.372 8.414 5.868 412 HB2 HIS 51 2HB HIS 51 6.912 6.799 4.872 413 HB3 HIS 51 1HB HIS 51 5.659 6.278 3.749 414 HD1 HIS 51 1HD HIS 51 5.223 7.780 1.694 415 HD2 HIS 51 2HD HIS 51 8.064 9.291 4.322 416 HE1 HIS 51 1HE HIS 51 6.339 9.709 0.500 417 H LEU 52 H LEU 52 3.383 6.280 3.795 418 HA LEU 52 HA LEU 52 2.279 8.273 2.218 419 HB2 LEU 52 2HB LEU 52 0.372 6.629 1.886 420 HB3 LEU 52 1HB LEU 52 1.985 6.090 1.463 421 HG LEU 52 HG LEU 52 1.921 5.129 3.938 422 HD11 LEU 52 1HD1 LEU 52 -0.975 5.030 3.122 423 HD12 LEU 52 2HD1 LEU 52 -0.325 6.084 4.377 424 HD13 LEU 52 3HD1 LEU 52 -0.249 4.333 4.571 425 HD21 LEU 52 3HD2 LEU 52 0.499 3.768 1.660 426 HD22 LEU 52 1HD2 LEU 52 1.346 3.004 3.003 427 HD23 LEU 52 2HD2 LEU 52 2.252 3.910 1.792 428 H ILE 53 H ILE 53 1.328 7.235 5.430 429 HA ILE 53 HA ILE 53 -1.231 8.387 5.512 430 HB ILE 53 HB ILE 53 0.740 7.958 7.759 431 HG12 ILE 53 2HG1 ILE 53 -1.670 6.322 6.945 432 HG13 ILE 53 1HG1 ILE 53 -0.018 5.938 6.474 433 HG21 ILE 53 1HG2 ILE 53 -2.205 8.599 7.861 434 HG22 ILE 53 2HG2 ILE 53 -0.881 9.621 8.423 435 HG23 ILE 53 3HG2 ILE 53 -1.229 8.098 9.242 436 HD11 ILE 53 3HD1 ILE 53 0.588 5.662 8.818 437 HD12 ILE 53 1HD1 ILE 53 -0.740 4.595 8.361 438 HD13 ILE 53 2HD1 ILE 53 -1.064 6.057 9.292 439 H GLN 54 H GLN 54 1.955 9.777 5.981 440 HA GLN 54 HA GLN 54 1.018 12.254 7.048 441 HB2 GLN 54 2HB GLN 54 3.267 11.509 7.532 442 HB3 GLN 54 1HB GLN 54 3.664 11.471 5.821 443 HG2 GLN 54 2HG GLN 54 4.622 13.415 6.928 444 HG3 GLN 54 1HG GLN 54 3.456 13.882 5.692 445 HE21 GLN 54 1HE2 GLN 54 2.531 12.632 8.817 446 HE22 GLN 54 2HE2 GLN 54 1.866 14.105 9.428 447 H SER 55 H SER 55 1.490 10.985 3.845 448 HA SER 55 HA SER 55 1.616 13.480 2.483 449 HB2 SER 55 2HB SER 55 2.447 11.432 1.447 450 HB3 SER 55 1HB SER 55 0.824 10.743 1.464 451 HG SER 55 HG SER 55 1.247 13.212 0.204 452 H ALA 56 H ALA 56 -1.053 11.096 2.696 453 HA ALA 56 HA ALA 56 -2.914 13.350 2.305 454 HB1 ALA 56 1HB ALA 56 -4.385 11.884 1.044 455 HB2 ALA 56 2HB ALA 56 -3.251 10.548 1.247 456 HB3 ALA 56 3HB ALA 56 -2.791 11.961 0.296 457 H GLY 57 H GLY 57 -2.347 10.239 3.855 458 HA2 GLY 57 2HA GLY 57 -3.293 10.545 6.283 459 HA3 GLY 57 1HA GLY 57 -4.817 10.526 5.409 460 H ALA 58 H ALA 58 -4.830 8.653 7.141 461 HA ALA 58 HA ALA 58 -3.474 6.248 6.442 462 HB1 ALA 58 1HB ALA 58 -5.900 6.640 8.191 463 HB2 ALA 58 2HB ALA 58 -4.219 6.687 8.723 464 HB3 ALA 58 3HB ALA 58 -4.907 5.185 8.107 465 H ALA 59 H ALA 59 -6.995 6.827 6.480 466 HA ALA 59 HA ALA 59 -7.563 4.650 4.771 467 HB1 ALA 59 1HB ALA 59 -9.834 5.521 4.710 468 HB2 ALA 59 2HB ALA 59 -9.282 7.047 5.397 469 HB3 ALA 59 3HB ALA 59 -9.193 5.567 6.352 470 H SER 60 H SER 60 -7.010 8.067 4.167 471 HA SER 60 HA SER 60 -7.964 8.181 1.530 472 HB2 SER 60 2HB SER 60 -5.779 9.805 2.850 473 HB3 SER 60 1HB SER 60 -6.566 10.212 1.325 474 HG SER 60 HG SER 60 -8.118 9.772 3.625 475 H ALA 61 H ALA 61 -4.684 7.562 2.761 476 HA ALA 61 HA ALA 61 -3.539 7.283 0.167 477 HB1 ALA 61 1HB ALA 61 -1.546 6.530 1.326 478 HB2 ALA 61 2HB ALA 61 -2.463 6.356 2.823 479 HB3 ALA 61 3HB ALA 61 -2.223 7.953 2.116 480 H VAL 62 H VAL 62 -4.649 4.943 2.597 481 HA VAL 62 HA VAL 62 -3.734 2.621 1.344 482 HB VAL 62 HB VAL 62 -6.128 3.024 3.141 483 HG11 VAL 62 1HG1 VAL 62 -4.839 0.453 2.228 484 HG12 VAL 62 2HG1 VAL 62 -6.475 0.998 1.859 485 HG13 VAL 62 3HG1 VAL 62 -6.036 0.584 3.517 486 HG21 VAL 62 3HG2 VAL 62 -3.897 3.541 4.087 487 HG22 VAL 62 1HG2 VAL 62 -3.393 1.892 3.721 488 HG23 VAL 62 2HG2 VAL 62 -4.687 2.180 4.883 489 H THR 63 H THR 63 -6.655 4.507 0.766 490 HA THR 63 HA THR 63 -7.968 2.571 -0.838 491 HB THR 63 HB THR 63 -9.302 4.532 -1.693 492 HG1 THR 63 1HG THR 63 -8.587 6.300 0.157 493 HG21 THR 63 3HG2 THR 63 -9.019 4.143 1.285 494 HG22 THR 63 1HG2 THR 63 -10.103 3.277 0.198 495 HG23 THR 63 2HG2 THR 63 -10.360 4.992 0.516 496 H LYS 64 H LYS 64 -6.119 5.491 -1.745 497 HA LYS 64 HA LYS 64 -6.241 4.921 -4.530 498 HB2 LYS 64 2HB LYS 64 -4.562 6.729 -4.745 499 HB3 LYS 64 1HB LYS 64 -5.958 7.199 -3.788 500 HG2 LYS 64 2HG LYS 64 -4.285 8.049 -2.500 501 HG3 LYS 64 1HG LYS 64 -4.423 6.440 -1.788 502 HD2 LYS 64 2HD LYS 64 -2.550 5.656 -3.098 503 HD3 LYS 64 1HD LYS 64 -2.461 7.196 -3.952 504 HE2 LYS 64 2HE LYS 64 -1.886 8.333 -1.883 505 HE3 LYS 64 1HE LYS 64 -2.043 6.821 -0.990 506 HZ1 LYS 64 3HZ LYS 64 -0.206 5.911 -2.251 507 HZ2 LYS 64 1HZ LYS 64 0.270 7.347 -1.494 508 HZ3 LYS 64 2HZ LYS 64 -0.070 7.337 -3.150 509 H ALA 65 H ALA 65 -4.182 3.871 -1.979 510 HA ALA 65 HA ALA 65 -1.819 3.303 -3.349 511 HB1 ALA 65 1HB ALA 65 -3.049 1.783 -1.054 512 HB2 ALA 65 2HB ALA 65 -1.998 3.193 -0.921 513 HB3 ALA 65 3HB ALA 65 -1.368 1.682 -1.575 514 H ILE 66 H ILE 66 -4.866 1.601 -3.243 515 HA ILE 66 HA ILE 66 -3.919 -0.832 -4.386 516 HB ILE 66 HB ILE 66 -6.702 0.319 -4.190 517 HG12 ILE 66 2HG1 ILE 66 -5.615 -0.244 -2.043 518 HG13 ILE 66 1HG1 ILE 66 -6.996 -1.282 -2.378 519 HG21 ILE 66 1HG2 ILE 66 -7.519 -1.917 -4.753 520 HG22 ILE 66 2HG2 ILE 66 -5.863 -2.447 -5.044 521 HG23 ILE 66 3HG2 ILE 66 -6.587 -1.214 -6.075 522 HD11 ILE 66 3HD1 ILE 66 -5.468 -3.050 -3.116 523 HD12 ILE 66 1HD1 ILE 66 -5.169 -2.561 -1.449 524 HD13 ILE 66 2HD1 ILE 66 -4.096 -2.009 -2.736 525 H ASN 67 H ASN 67 -5.531 2.040 -5.696 526 HA ASN 67 HA ASN 67 -5.862 1.124 -8.321 527 HB2 ASN 67 2HB ASN 67 -6.989 3.113 -7.398 528 HB3 ASN 67 1HB ASN 67 -5.450 3.966 -7.375 529 HD21 ASN 67 1HD2 ASN 67 -6.405 1.765 -9.912 530 HD22 ASN 67 2HD2 ASN 67 -6.582 2.959 -11.147 531 H ILE 68 H ILE 68 -3.128 2.755 -6.782 532 HA ILE 68 HA ILE 68 -1.675 3.084 -9.231 533 HB ILE 68 HB ILE 68 -0.621 3.214 -6.405 534 HG12 ILE 68 2HG1 ILE 68 -1.588 5.472 -8.173 535 HG13 ILE 68 1HG1 ILE 68 -2.530 4.769 -6.863 536 HG21 ILE 68 1HG2 ILE 68 0.469 4.331 -8.988 537 HG22 ILE 68 2HG2 ILE 68 1.123 2.960 -8.092 538 HG23 ILE 68 3HG2 ILE 68 1.163 4.575 -7.385 539 HD11 ILE 68 3HD1 ILE 68 0.094 6.218 -6.604 540 HD12 ILE 68 1HD1 ILE 68 -0.781 5.455 -5.276 541 HD13 ILE 68 2HD1 ILE 68 -1.497 6.817 -6.136 542 H PHE 69 H PHE 69 -1.280 0.944 -6.415 543 HA PHE 69 HA PHE 69 0.956 -0.455 -7.297 544 HB2 PHE 69 2HB PHE 69 0.029 -0.540 -4.997 545 HB3 PHE 69 1HB PHE 69 -1.294 -1.532 -5.593 546 HD1 PHE 69 1HD PHE 69 2.397 -1.433 -5.242 547 HD2 PHE 69 2HD PHE 69 -1.074 -3.843 -5.755 548 HE1 PHE 69 1HE PHE 69 3.752 -3.455 -4.887 549 HE2 PHE 69 2HE PHE 69 0.276 -5.869 -5.401 550 HZ PHE 69 HZ PHE 69 2.693 -5.676 -4.965 551 H GLN 70 H GLN 70 -2.467 -1.081 -7.938 552 HA GLN 70 HA GLN 70 -2.118 -3.623 -9.078 553 HB2 GLN 70 2HB GLN 70 -4.366 -3.332 -10.015 554 HB3 GLN 70 1HB GLN 70 -4.292 -2.871 -8.324 555 HG2 GLN 70 2HG GLN 70 -4.107 -0.488 -9.088 556 HG3 GLN 70 1HG GLN 70 -4.458 -1.065 -10.715 557 HE21 GLN 70 1HE2 GLN 70 -5.858 -2.483 -7.853 558 HE22 GLN 70 2HE2 GLN 70 -7.471 -1.934 -8.133 559 H LYS 71 H LYS 71 -2.717 -0.553 -10.808 560 HA LYS 71 HA LYS 71 -2.237 -1.663 -13.357 561 HB2 LYS 71 2HB LYS 71 -3.563 0.409 -12.858 562 HB3 LYS 71 1HB LYS 71 -2.043 1.245 -12.574 563 HG2 LYS 71 2HG LYS 71 -1.366 0.803 -14.880 564 HG3 LYS 71 1HG LYS 71 -2.891 -0.040 -15.163 565 HD2 LYS 71 2HD LYS 71 -3.087 2.192 -16.025 566 HD3 LYS 71 1HD LYS 71 -4.090 2.063 -14.580 567 HE2 LYS 71 2HE LYS 71 -2.860 4.164 -14.595 568 HE3 LYS 71 1HE LYS 71 -2.329 3.137 -13.263 569 HZ1 LYS 71 3HZ LYS 71 -0.402 2.498 -14.546 570 HZ2 LYS 71 1HZ LYS 71 -0.469 4.183 -14.420 571 HZ3 LYS 71 2HZ LYS 71 -0.922 3.425 -15.862 572 H LEU 72 H LEU 72 -0.016 -1.006 -10.921 573 HA LEU 72 HA LEU 72 2.082 -0.213 -12.812 574 HB2 LEU 72 2HB LEU 72 1.558 0.162 -9.989 575 HB3 LEU 72 1HB LEU 72 3.197 -0.370 -10.291 576 HG LEU 72 HG LEU 72 3.073 2.049 -10.177 577 HD11 LEU 72 1HD1 LEU 72 4.171 2.587 -12.297 578 HD12 LEU 72 2HD1 LEU 72 3.612 1.055 -12.969 579 HD13 LEU 72 3HD1 LEU 72 4.756 1.064 -11.625 580 HD21 LEU 72 3HD2 LEU 72 1.201 1.846 -12.531 581 HD22 LEU 72 1HD2 LEU 72 1.867 3.339 -11.871 582 HD23 LEU 72 2HD2 LEU 72 0.769 2.360 -10.899 583 H ASN 73 H ASN 73 1.457 -2.792 -10.404 584 HA ASN 73 HA ASN 73 3.713 -4.218 -11.656 585 HB2 ASN 73 2HB ASN 73 2.947 -4.334 -8.743 586 HB3 ASN 73 1HB ASN 73 4.300 -5.167 -9.502 587 HD21 ASN 73 1HD2 ASN 73 3.063 -2.134 -8.381 588 HD22 ASN 73 2HD2 ASN 73 4.546 -1.253 -8.486 589 H TYR 74 H TYR 74 0.793 -4.822 -9.694 590 HA TYR 74 HA TYR 74 0.392 -7.281 -11.241 591 HB2 TYR 74 2HB TYR 74 0.584 -7.143 -8.241 592 HB3 TYR 74 1HB TYR 74 -0.169 -8.491 -9.087 593 HD1 TYR 74 2HD TYR 74 2.997 -6.782 -8.366 594 HD2 TYR 74 1HD TYR 74 1.166 -10.078 -10.337 595 HE1 TYR 74 2HE TYR 74 5.203 -7.837 -8.641 596 HE2 TYR 74 1HE TYR 74 3.365 -11.141 -10.616 597 HH TYR 74 HH TYR 74 5.734 -10.484 -10.696 598 H MET 75 H MET 75 -1.216 -5.475 -11.997 599 HA MET 75 HA MET 75 -3.426 -4.712 -10.534 600 HB2 MET 75 2HB MET 75 -4.597 -4.475 -12.679 601 HB3 MET 75 1HB MET 75 -2.959 -3.842 -12.759 602 HG2 MET 75 2HG MET 75 -2.214 -5.865 -13.885 603 HG3 MET 75 1HG MET 75 -3.840 -6.536 -13.774 604 HE1 MET 75 3HE MET 75 -3.427 -5.769 -17.605 605 HE2 MET 75 1HE MET 75 -3.808 -7.004 -16.406 606 HE3 MET 75 2HE MET 75 -2.180 -6.330 -16.493 607 H HIS 76 H HIS 76 -2.596 -7.883 -11.428 608 HA HIS 76 HA HIS 76 -5.284 -8.907 -11.573 609 HB2 HIS 76 2HB HIS 76 -3.461 -9.966 -12.834 610 HB3 HIS 76 1HB HIS 76 -2.648 -10.369 -11.326 611 HD1 HIS 76 1HD HIS 76 -3.352 -12.528 -10.191 612 HD2 HIS 76 2HD HIS 76 -5.910 -11.393 -13.261 613 HE1 HIS 76 1HE HIS 76 -4.940 -14.464 -10.543 614 H ILE 77 H ILE 77 -2.619 -9.225 -9.207 615 HA ILE 77 HA ILE 77 -4.207 -10.683 -7.348 616 HB ILE 77 HB ILE 77 -1.693 -10.736 -7.446 617 HG12 ILE 77 2HG1 ILE 77 -2.822 -10.044 -4.727 618 HG13 ILE 77 1HG1 ILE 77 -3.085 -11.589 -5.532 619 HG21 ILE 77 1HG2 ILE 77 -0.429 -9.028 -6.297 620 HG22 ILE 77 2HG2 ILE 77 -1.907 -8.140 -5.925 621 HG23 ILE 77 3HG2 ILE 77 -1.366 -8.291 -7.596 622 HD11 ILE 77 3HD1 ILE 77 -0.691 -12.021 -5.500 623 HD12 ILE 77 1HD1 ILE 77 -1.308 -11.723 -3.876 624 HD13 ILE 77 2HD1 ILE 77 -0.414 -10.461 -4.724 625 H ALA 78 H ALA 78 -3.458 -7.266 -7.751 626 HA ALA 78 HA ALA 78 -4.361 -6.335 -5.273 627 HB1 ALA 78 1HB ALA 78 -3.096 -4.940 -6.826 628 HB2 ALA 78 2HB ALA 78 -4.605 -4.159 -6.354 629 HB3 ALA 78 3HB ALA 78 -4.465 -4.925 -7.937 630 H ASN 79 H ASN 79 -6.105 -7.300 -8.139 631 HA ASN 79 HA ASN 79 -8.576 -6.093 -7.644 632 HB2 ASN 79 2HB ASN 79 -7.883 -8.681 -9.035 633 HB3 ASN 79 1HB ASN 79 -9.508 -8.009 -9.009 634 HD21 ASN 79 1HD2 ASN 79 -8.501 -5.254 -9.122 635 HD22 ASN 79 2HD2 ASN 79 -7.999 -5.007 -10.756 636 H ALA 80 H ALA 80 -7.147 -9.026 -6.361 637 HA ALA 80 HA ALA 80 -9.528 -9.998 -5.130 638 HB1 ALA 80 1HB ALA 80 -7.669 -11.472 -5.733 639 HB2 ALA 80 2HB ALA 80 -8.070 -11.595 -4.020 640 HB3 ALA 80 3HB ALA 80 -6.653 -10.678 -4.530 641 H LEU 81 H LEU 81 -6.791 -8.061 -4.019 642 HA LEU 81 HA LEU 81 -7.555 -8.061 -1.275 643 HB2 LEU 81 2HB LEU 81 -5.285 -7.432 -2.594 644 HB3 LEU 81 1HB LEU 81 -5.919 -5.825 -2.300 645 HG LEU 81 HG LEU 81 -4.356 -6.448 -0.553 646 HD11 LEU 81 1HD1 LEU 81 -5.752 -6.057 1.403 647 HD12 LEU 81 2HD1 LEU 81 -7.193 -6.450 0.466 648 HD13 LEU 81 3HD1 LEU 81 -6.241 -5.022 0.060 649 HD21 LEU 81 3HD2 LEU 81 -4.820 -8.308 0.966 650 HD22 LEU 81 1HD2 LEU 81 -4.588 -8.869 -0.689 651 HD23 LEU 81 2HD2 LEU 81 -6.214 -8.761 -0.016 652 H GLU 82 H GLU 82 -8.048 -5.774 -3.943 653 HA GLU 82 HA GLU 82 -9.082 -3.647 -2.483 654 HB2 GLU 82 2HB GLU 82 -10.134 -2.902 -4.556 655 HB3 GLU 82 1HB GLU 82 -8.493 -3.461 -4.844 656 HG2 GLU 82 2HG GLU 82 -9.333 -5.555 -5.718 657 HG3 GLU 82 1HG GLU 82 -10.988 -5.057 -5.373 658 H GLU 83 H GLU 83 -10.549 -6.684 -3.298 659 HA GLU 83 HA GLU 83 -13.256 -5.999 -3.061 660 HB2 GLU 83 2HB GLU 83 -11.877 -8.593 -2.349 661 HB3 GLU 83 1HB GLU 83 -13.616 -8.392 -2.512 662 HG2 GLU 83 2HG GLU 83 -13.300 -7.765 -4.868 663 HG3 GLU 83 1HG GLU 83 -11.568 -8.039 -4.689 664 H LYS 84 H LYS 84 -10.809 -6.684 -0.652 665 HA LYS 84 HA LYS 84 -12.461 -7.020 1.586 666 HB2 LYS 84 2HB LYS 84 -10.010 -7.521 1.469 667 HB3 LYS 84 1HB LYS 84 -9.700 -5.792 1.548 668 HG2 LYS 84 2HG LYS 84 -10.739 -5.682 3.740 669 HG3 LYS 84 1HG LYS 84 -11.117 -7.404 3.661 670 HD2 LYS 84 2HD LYS 84 -8.340 -6.223 3.605 671 HD3 LYS 84 1HD LYS 84 -9.114 -6.939 5.020 672 HE2 LYS 84 2HE LYS 84 -8.341 -8.313 2.452 673 HE3 LYS 84 1HE LYS 84 -7.665 -8.580 4.058 674 HZ1 LYS 84 3HZ LYS 84 -9.219 -10.323 3.458 675 HZ2 LYS 84 1HZ LYS 84 -10.454 -9.186 3.231 676 HZ3 LYS 84 2HZ LYS 84 -9.809 -9.439 4.775 677 H LYS 85 H LYS 85 -11.401 -4.159 -0.098 678 HA LYS 85 HA LYS 85 -11.792 -2.194 1.816 679 HB2 LYS 85 2HB LYS 85 -10.825 -1.769 -0.403 680 HB3 LYS 85 1HB LYS 85 -12.393 -2.043 -1.145 681 HG2 LYS 85 2HG LYS 85 -12.184 0.058 0.944 682 HG3 LYS 85 1HG LYS 85 -11.490 0.381 -0.647 683 HD2 LYS 85 2HD LYS 85 -13.691 -0.249 -1.649 684 HD3 LYS 85 1HD LYS 85 -14.346 -0.353 -0.015 685 HE2 LYS 85 2HE LYS 85 -14.885 1.797 -0.965 686 HE3 LYS 85 1HE LYS 85 -13.728 2.007 0.350 687 HZ1 LYS 85 3HZ LYS 85 -13.155 3.359 -1.569 688 HZ2 LYS 85 1HZ LYS 85 -13.062 1.980 -2.545 689 HZ3 LYS 85 2HZ LYS 85 -11.960 2.198 -1.281 690 H LYS 86 H LYS 86 -14.155 -3.916 -0.134 691 HA LYS 86 HA LYS 86 -16.396 -2.317 0.314 692 HB2 LYS 86 2HB LYS 86 -16.260 -4.243 -1.277 693 HB3 LYS 86 1HB LYS 86 -16.360 -5.332 0.101 694 HG2 LYS 86 2HG LYS 86 -18.524 -5.162 -0.893 695 HG3 LYS 86 1HG LYS 86 -18.561 -4.336 0.665 696 HD2 LYS 86 2HD LYS 86 -19.734 -2.996 -0.954 697 HD3 LYS 86 1HD LYS 86 -18.227 -2.181 -0.527 698 HE2 LYS 86 2HE LYS 86 -17.196 -3.169 -2.570 699 HE3 LYS 86 1HE LYS 86 -18.783 -3.797 -3.012 700 HZ1 LYS 86 3HZ LYS 86 -19.612 -1.506 -3.028 701 HZ2 LYS 86 1HZ LYS 86 -18.362 -1.732 -4.146 702 HZ3 LYS 86 2HZ LYS 86 -18.057 -0.937 -2.685 703 H GLU 87 H GLU 87 -15.170 -5.073 2.187 704 HA GLU 87 HA GLU 87 -17.184 -4.891 4.197 705 HB2 GLU 87 2HB GLU 87 -15.970 -6.983 3.712 706 HB3 GLU 87 1HB GLU 87 -14.483 -6.247 4.291 707 HG2 GLU 87 2HG GLU 87 -15.489 -6.003 6.517 708 HG3 GLU 87 1HG GLU 87 -16.949 -6.794 5.926 709 H ALA 88 H ALA 88 -14.061 -3.450 3.698 710 HA ALA 88 HA ALA 88 -13.489 -2.633 6.320 711 HB1 ALA 88 1HB ALA 88 -12.734 -1.252 3.747 712 HB2 ALA 88 2HB ALA 88 -11.854 -2.592 4.484 713 HB3 ALA 88 3HB ALA 88 -11.958 -1.042 5.317 714 H GLU 89 H GLU 89 -15.643 -1.360 3.904 715 HA GLU 89 HA GLU 89 -15.987 1.256 4.700 716 HB2 GLU 89 2HB GLU 89 -18.110 -0.668 3.734 717 HB3 GLU 89 1HB GLU 89 -18.272 1.082 3.773 718 HG2 GLU 89 2HG GLU 89 -16.258 -0.457 2.148 719 HG3 GLU 89 1HG GLU 89 -17.749 0.258 1.536 720 H ARG 90 H ARG 90 -17.879 -1.549 5.856 721 HA ARG 90 HA ARG 90 -19.294 -0.060 7.807 722 HB2 ARG 90 2HB ARG 90 -19.998 -2.242 8.688 723 HB3 ARG 90 1HB ARG 90 -20.168 -2.160 6.941 724 HG2 ARG 90 2HG ARG 90 -18.084 -3.418 6.687 725 HG3 ARG 90 1HG ARG 90 -17.936 -3.515 8.443 726 HD2 ARG 90 2HD ARG 90 -20.182 -4.649 6.778 727 HD3 ARG 90 1HD ARG 90 -18.872 -5.569 7.515 728 HE ARG 90 HE ARG 90 -20.187 -4.116 9.518 729 HH11 ARG 90 1HH1 ARG 90 -20.758 -6.783 7.348 730 HH12 ARG 90 2HH1 ARG 90 -21.884 -7.567 8.405 731 HH21 ARG 90 1HH2 ARG 90 -21.670 -5.143 10.912 732 HH22 ARG 90 2HH2 ARG 90 -22.402 -6.636 10.429 733 H LYS 91 H LYS 91 -16.154 -1.490 7.775 734 HA LYS 91 HA LYS 91 -15.830 -1.762 10.591 735 HB2 LYS 91 2HB LYS 91 -13.784 -1.510 8.381 736 HB3 LYS 91 1HB LYS 91 -13.396 -1.887 10.052 737 HG2 LYS 91 2HG LYS 91 -14.755 -3.927 9.891 738 HG3 LYS 91 1HG LYS 91 -15.082 -3.555 8.198 739 HD2 LYS 91 2HD LYS 91 -13.299 -5.134 8.240 740 HD3 LYS 91 1HD LYS 91 -12.603 -3.571 7.813 741 HE2 LYS 91 2HE LYS 91 -11.194 -4.713 9.431 742 HE3 LYS 91 1HE LYS 91 -11.895 -3.261 10.142 743 HZ1 LYS 91 3HZ LYS 91 -12.868 -6.037 10.550 744 HZ2 LYS 91 1HZ LYS 91 -13.568 -4.647 11.216 745 HZ3 LYS 91 2HZ LYS 91 -12.007 -5.112 11.675 746 H LEU 92 H LEU 92 -15.526 0.868 8.348 747 HA LEU 92 HA LEU 92 -13.955 2.559 10.029 748 HB2 LEU 92 2HB LEU 92 -15.682 3.131 7.626 749 HB3 LEU 92 1HB LEU 92 -14.740 4.360 8.448 750 HG LEU 92 HG LEU 92 -13.564 1.896 7.159 751 HD11 LEU 92 1HD1 LEU 92 -13.741 4.730 6.149 752 HD12 LEU 92 2HD1 LEU 92 -14.544 3.318 5.464 753 HD13 LEU 92 3HD1 LEU 92 -12.785 3.445 5.411 754 HD21 LEU 92 3HD2 LEU 92 -11.443 3.109 7.414 755 HD22 LEU 92 1HD2 LEU 92 -12.203 2.776 8.970 756 HD23 LEU 92 2HD2 LEU 92 -12.292 4.394 8.274 757 H MET 93 H MET 93 -17.361 1.918 9.651 758 HA MET 93 HA MET 93 -18.124 4.197 11.281 759 HB2 MET 93 2HB MET 93 -19.686 2.015 9.910 760 HB3 MET 93 1HB MET 93 -20.446 3.145 11.021 761 HG2 MET 93 2HG MET 93 -20.794 3.909 8.787 762 HG3 MET 93 1HG MET 93 -19.675 5.008 9.590 763 HE1 MET 93 3HE MET 93 -20.171 4.771 6.368 764 HE2 MET 93 1HE MET 93 -18.512 4.993 5.818 765 HE3 MET 93 2HE MET 93 -19.142 5.977 7.139 766 H THR 94 H THR 94 -16.775 1.331 11.971 767 HA THR 94 HA THR 94 -18.445 0.450 14.138 768 HB THR 94 HB THR 94 -15.576 -0.298 13.534 769 HG1 THR 94 1HG THR 94 -18.061 -1.372 12.670 770 HG21 THR 94 3HG2 THR 94 -16.090 -2.316 14.852 771 HG22 THR 94 1HG2 THR 94 -17.679 -1.651 15.230 772 HG23 THR 94 2HG2 THR 94 -16.224 -0.846 15.817 773 H ASN 95 H ASN 95 -18.170 0.764 16.311 774 HA ASN 95 HA ASN 95 -16.219 2.837 17.070 775 HB2 ASN 95 2HB ASN 95 -18.905 2.166 18.290 776 HB3 ASN 95 1HB ASN 95 -17.777 3.346 18.952 777 HD21 ASN 95 1HD2 ASN 95 -19.229 5.028 18.711 778 HD22 ASN 95 2HD2 ASN 95 -19.624 5.698 17.168 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -9.442 -2.253 14.379 2 H2 MET 1 2HT MET 1 -8.230 -2.462 13.218 3 H3 MET 1 3HT MET 1 -9.830 -2.207 12.732 4 HA MET 1 HA MET 1 -9.817 0.008 13.601 5 HB2 MET 1 2HB MET 1 -7.776 0.971 14.541 6 HB3 MET 1 1HB MET 1 -8.301 -0.415 15.486 7 HG2 MET 1 2HG MET 1 -6.638 -1.787 14.199 8 HG3 MET 1 1HG MET 1 -6.022 -0.275 13.536 9 HE1 MET 1 2HE MET 1 -4.824 1.564 16.808 10 HE2 MET 1 3HE MET 1 -6.454 1.644 16.139 11 HE3 MET 1 1HE MET 1 -5.056 1.697 15.064 12 H GLU 2 H GLU 2 -8.320 1.868 12.669 13 HA GLU 2 HA GLU 2 -8.196 1.402 9.868 14 HB2 GLU 2 2HB GLU 2 -7.469 3.707 9.682 15 HB3 GLU 2 1HB GLU 2 -8.787 3.596 10.839 16 HG2 GLU 2 2HG GLU 2 -5.892 3.673 11.641 17 HG3 GLU 2 1HG GLU 2 -6.893 5.113 11.472 18 H SER 3 H SER 3 -5.851 1.361 12.442 19 HA SER 3 HA SER 3 -3.523 1.550 10.833 20 HB2 SER 3 2HB SER 3 -3.474 1.994 13.246 21 HB3 SER 3 1HB SER 3 -3.883 0.309 13.572 22 HG SER 3 HG SER 3 -1.856 -0.158 13.362 23 H GLU 4 H GLU 4 -5.587 -1.108 11.792 24 HA GLU 4 HA GLU 4 -3.772 -3.167 10.970 25 HB2 GLU 4 2HB GLU 4 -5.492 -3.565 12.680 26 HB3 GLU 4 1HB GLU 4 -6.750 -3.283 11.485 27 HG2 GLU 4 2HG GLU 4 -6.021 -5.234 10.232 28 HG3 GLU 4 1HG GLU 4 -4.719 -5.505 11.391 29 H TYR 5 H TYR 5 -6.494 -1.479 9.508 30 HA TYR 5 HA TYR 5 -6.753 -3.115 7.221 31 HB2 TYR 5 2HB TYR 5 -8.543 -1.633 7.883 32 HB3 TYR 5 1HB TYR 5 -7.503 -0.225 7.696 33 HD1 TYR 5 2HD TYR 5 -8.865 -3.085 5.712 34 HD2 TYR 5 1HD TYR 5 -7.616 0.984 5.725 35 HE1 TYR 5 2HE TYR 5 -9.615 -2.854 3.382 36 HE2 TYR 5 1HE TYR 5 -8.364 1.225 3.395 37 HH TYR 5 HH TYR 5 -10.312 -1.082 1.839 38 H ARG 6 H ARG 6 -4.740 -0.323 7.932 39 HA ARG 6 HA ARG 6 -3.818 -0.071 5.210 40 HB2 ARG 6 2HB ARG 6 -2.393 1.704 6.066 41 HB3 ARG 6 1HB ARG 6 -4.033 1.895 6.669 42 HG2 ARG 6 2HG ARG 6 -3.332 0.861 8.801 43 HG3 ARG 6 1HG ARG 6 -1.678 0.794 8.188 44 HD2 ARG 6 2HD ARG 6 -1.749 3.261 7.895 45 HD3 ARG 6 1HD ARG 6 -3.338 3.266 8.658 46 HE ARG 6 HE ARG 6 -1.185 2.060 10.187 47 HH11 ARG 6 1HH1 ARG 6 -3.136 4.884 9.577 48 HH12 ARG 6 2HH1 ARG 6 -2.778 5.618 11.104 49 HH21 ARG 6 1HH2 ARG 6 -0.708 3.026 12.199 50 HH22 ARG 6 2HH2 ARG 6 -1.403 4.562 12.593 51 H GLU 7 H GLU 7 -2.773 -1.688 8.109 52 HA GLU 7 HA GLU 7 -0.050 -2.027 7.349 53 HB2 GLU 7 2HB GLU 7 -0.815 -2.157 9.687 54 HB3 GLU 7 1HB GLU 7 -1.704 -3.626 9.307 55 HG2 GLU 7 2HG GLU 7 0.401 -4.742 8.737 56 HG3 GLU 7 1HG GLU 7 1.282 -3.271 9.153 57 H MET 8 H MET 8 -2.814 -4.288 7.346 58 HA MET 8 HA MET 8 -1.343 -6.386 6.126 59 HB2 MET 8 2HB MET 8 -3.488 -7.527 5.924 60 HB3 MET 8 1HB MET 8 -3.297 -6.820 7.522 61 HG2 MET 8 2HG MET 8 -4.693 -4.906 6.774 62 HG3 MET 8 1HG MET 8 -4.972 -5.762 5.260 63 HE1 MET 8 3HE MET 8 -6.277 -8.076 5.086 64 HE2 MET 8 1HE MET 8 -6.896 -8.951 6.486 65 HE3 MET 8 2HE MET 8 -5.156 -8.780 6.250 66 H LEU 9 H LEU 9 -3.723 -4.084 4.811 67 HA LEU 9 HA LEU 9 -3.887 -5.120 2.238 68 HB2 LEU 9 2HB LEU 9 -5.368 -3.379 3.162 69 HB3 LEU 9 1HB LEU 9 -4.054 -2.222 3.060 70 HG LEU 9 HG LEU 9 -4.876 -3.623 0.559 71 HD11 LEU 9 1HD1 LEU 9 -6.620 -1.951 0.157 72 HD12 LEU 9 2HD1 LEU 9 -6.413 -1.346 1.800 73 HD13 LEU 9 3HD1 LEU 9 -7.007 -2.984 1.532 74 HD21 LEU 9 3HD2 LEU 9 -4.407 -1.295 -0.320 75 HD22 LEU 9 1HD2 LEU 9 -3.027 -2.169 0.343 76 HD23 LEU 9 2HD2 LEU 9 -3.810 -0.908 1.293 77 H LEU 10 H LEU 10 -1.412 -3.074 3.654 78 HA LEU 10 HA LEU 10 -0.199 -2.495 1.098 79 HB2 LEU 10 2HB LEU 10 0.625 -1.919 3.933 80 HB3 LEU 10 1HB LEU 10 1.614 -1.489 2.549 81 HG LEU 10 HG LEU 10 -1.203 -0.498 2.997 82 HD11 LEU 10 1HD1 LEU 10 0.355 0.312 4.718 83 HD12 LEU 10 2HD1 LEU 10 -0.202 1.602 3.653 84 HD13 LEU 10 3HD1 LEU 10 1.414 0.926 3.449 85 HD21 LEU 10 3HD2 LEU 10 -0.659 1.101 1.238 86 HD22 LEU 10 1HD2 LEU 10 -0.515 -0.555 0.648 87 HD23 LEU 10 2HD2 LEU 10 0.934 0.367 1.050 88 H LEU 11 H LEU 11 0.853 -4.311 3.996 89 HA LEU 11 HA LEU 11 3.241 -5.256 2.903 90 HB2 LEU 11 2HB LEU 11 3.405 -6.679 4.741 91 HB3 LEU 11 1HB LEU 11 2.485 -5.310 5.323 92 HG LEU 11 HG LEU 11 0.428 -6.867 4.689 93 HD11 LEU 11 1HD1 LEU 11 1.719 -8.689 3.767 94 HD12 LEU 11 2HD1 LEU 11 0.943 -9.213 5.260 95 HD13 LEU 11 3HD1 LEU 11 2.660 -8.815 5.254 96 HD21 LEU 11 3HD2 LEU 11 2.092 -7.183 7.183 97 HD22 LEU 11 1HD2 LEU 11 0.393 -7.623 7.013 98 HD23 LEU 11 2HD2 LEU 11 0.881 -5.934 6.892 99 H THR 12 H THR 12 -0.010 -6.305 2.354 100 HA THR 12 HA THR 12 0.628 -8.930 1.430 101 HB THR 12 HB THR 12 -1.686 -8.776 0.348 102 HG1 THR 12 1HG THR 12 -2.812 -6.972 0.616 103 HG21 THR 12 3HG2 THR 12 -2.834 -8.960 2.528 104 HG22 THR 12 1HG2 THR 12 -1.387 -8.340 3.322 105 HG23 THR 12 2HG2 THR 12 -1.336 -9.887 2.476 106 H GLY 13 H GLY 13 1.499 -6.059 0.167 107 HA2 GLY 13 2HA GLY 13 1.371 -7.086 -2.601 108 HA3 GLY 13 1HA GLY 13 1.222 -5.379 -2.219 109 H LEU 14 H LEU 14 3.249 -5.045 -0.374 110 HA LEU 14 HA LEU 14 5.507 -4.790 -2.045 111 HB2 LEU 14 2HB LEU 14 5.162 -4.547 0.937 112 HB3 LEU 14 1HB LEU 14 6.706 -4.288 0.152 113 HG LEU 14 HG LEU 14 5.721 -2.154 0.564 114 HD11 LEU 14 1HD1 LEU 14 5.534 -1.229 -1.690 115 HD12 LEU 14 2HD1 LEU 14 5.392 -2.860 -2.348 116 HD13 LEU 14 3HD1 LEU 14 6.886 -2.355 -1.558 117 HD21 LEU 14 3HD2 LEU 14 3.532 -1.514 -0.320 118 HD22 LEU 14 1HD2 LEU 14 3.408 -2.844 0.833 119 HD23 LEU 14 2HD2 LEU 14 3.284 -3.161 -0.898 120 H ASP 15 H ASP 15 4.949 -6.916 0.758 121 HA ASP 15 HA ASP 15 7.381 -8.336 0.462 122 HB2 ASP 15 2HB ASP 15 6.108 -8.192 2.585 123 HB3 ASP 15 1HB ASP 15 4.858 -9.213 1.880 124 H HIS 16 H HIS 16 4.474 -8.488 -1.283 125 HA HIS 16 HA HIS 16 4.752 -11.284 -2.004 126 HB2 HIS 16 2HB HIS 16 2.507 -10.304 -1.758 127 HB3 HIS 16 1HB HIS 16 2.855 -9.184 -3.072 128 HD1 HIS 16 1HD HIS 16 2.663 -10.096 -5.477 129 HD2 HIS 16 2HD HIS 16 2.102 -12.977 -2.536 130 HE1 HIS 16 1HE HIS 16 1.779 -12.152 -6.655 131 H ILE 17 H ILE 17 5.491 -8.138 -3.345 132 HA ILE 17 HA ILE 17 6.227 -9.288 -5.917 133 HB ILE 17 HB ILE 17 6.722 -6.984 -6.600 134 HG12 ILE 17 2HG1 ILE 17 5.795 -6.201 -3.827 135 HG13 ILE 17 1HG1 ILE 17 7.475 -6.187 -4.355 136 HG21 ILE 17 1HG2 ILE 17 4.051 -7.264 -5.230 137 HG22 ILE 17 2HG2 ILE 17 4.458 -7.884 -6.830 138 HG23 ILE 17 3HG2 ILE 17 4.438 -6.146 -6.537 139 HD11 ILE 17 3HD1 ILE 17 6.415 -3.965 -4.390 140 HD12 ILE 17 1HD1 ILE 17 5.274 -4.555 -5.598 141 HD13 ILE 17 2HD1 ILE 17 6.995 -4.475 -5.975 142 H THR 18 H THR 18 8.365 -8.407 -6.864 143 HA THR 18 HA THR 18 10.480 -9.331 -5.137 144 HB THR 18 HB THR 18 11.950 -9.036 -7.075 145 HG1 THR 18 1HG THR 18 10.610 -8.420 -9.082 146 HG21 THR 18 3HG2 THR 18 10.851 -10.608 -8.605 147 HG22 THR 18 1HG2 THR 18 9.310 -10.315 -7.798 148 HG23 THR 18 2HG2 THR 18 10.632 -11.090 -6.923 149 H GLU 19 H GLU 19 12.600 -8.067 -5.152 150 HA GLU 19 HA GLU 19 12.216 -5.642 -3.788 151 HB2 GLU 19 2HB GLU 19 14.665 -6.927 -4.979 152 HB3 GLU 19 1HB GLU 19 14.736 -5.404 -4.105 153 HG2 GLU 19 2HG GLU 19 15.330 -7.218 -2.643 154 HG3 GLU 19 1HG GLU 19 13.801 -6.511 -2.126 155 H GLU 20 H GLU 20 13.313 -6.289 -7.105 156 HA GLU 20 HA GLU 20 13.884 -3.659 -7.842 157 HB2 GLU 20 2HB GLU 20 13.568 -4.420 -10.165 158 HB3 GLU 20 1HB GLU 20 14.541 -5.543 -9.226 159 HG2 GLU 20 2HG GLU 20 12.620 -7.007 -8.955 160 HG3 GLU 20 1HG GLU 20 11.614 -5.870 -9.851 161 H GLU 21 H GLU 21 10.835 -5.347 -7.601 162 HA GLU 21 HA GLU 21 9.330 -3.356 -9.019 163 HB2 GLU 21 2HB GLU 21 8.459 -5.628 -7.227 164 HB3 GLU 21 1HB GLU 21 7.356 -4.604 -8.136 165 HG2 GLU 21 2HG GLU 21 9.491 -6.356 -9.333 166 HG3 GLU 21 1HG GLU 21 7.775 -6.747 -9.243 167 H LEU 22 H LEU 22 10.271 -3.918 -5.713 168 HA LEU 22 HA LEU 22 8.390 -2.359 -4.365 169 HB2 LEU 22 2HB LEU 22 11.308 -2.801 -3.725 170 HB3 LEU 22 1HB LEU 22 10.141 -2.103 -2.618 171 HG LEU 22 HG LEU 22 9.998 -4.902 -3.736 172 HD11 LEU 22 1HD1 LEU 22 11.883 -4.647 -2.220 173 HD12 LEU 22 2HD1 LEU 22 10.608 -5.614 -1.479 174 HD13 LEU 22 3HD1 LEU 22 10.823 -3.928 -1.007 175 HD21 LEU 22 3HD2 LEU 22 8.364 -3.512 -1.619 176 HD22 LEU 22 1HD2 LEU 22 8.256 -5.221 -2.039 177 HD23 LEU 22 2HD2 LEU 22 7.806 -3.993 -3.220 178 H LYS 23 H LYS 23 11.439 -1.430 -5.901 179 HA LYS 23 HA LYS 23 11.392 1.274 -5.063 180 HB2 LYS 23 2HB LYS 23 12.780 -0.028 -7.411 181 HB3 LYS 23 1HB LYS 23 13.085 1.610 -6.849 182 HG2 LYS 23 2HG LYS 23 13.968 0.819 -4.782 183 HG3 LYS 23 1HG LYS 23 13.457 -0.833 -5.135 184 HD2 LYS 23 2HD LYS 23 15.839 -0.599 -5.527 185 HD3 LYS 23 1HD LYS 23 15.000 -0.877 -7.054 186 HE2 LYS 23 2HE LYS 23 15.084 1.511 -7.546 187 HE3 LYS 23 1HE LYS 23 15.890 1.808 -6.007 188 HZ1 LYS 23 3HZ LYS 23 17.749 0.460 -6.761 189 HZ2 LYS 23 1HZ LYS 23 17.468 1.739 -7.832 190 HZ3 LYS 23 2HZ LYS 23 16.974 0.173 -8.236 191 H ARG 24 H ARG 24 10.193 -0.374 -7.945 192 HA ARG 24 HA ARG 24 9.570 1.866 -9.491 193 HB2 ARG 24 2HB ARG 24 8.153 -0.801 -9.377 194 HB3 ARG 24 1HB ARG 24 7.969 0.389 -10.658 195 HG2 ARG 24 2HG ARG 24 10.400 0.164 -11.132 196 HG3 ARG 24 1HG ARG 24 10.459 -1.146 -9.952 197 HD2 ARG 24 2HD ARG 24 8.749 -2.354 -11.268 198 HD3 ARG 24 1HD ARG 24 8.802 -1.067 -12.471 199 HE ARG 24 HE ARG 24 11.376 -2.208 -11.955 200 HH11 ARG 24 1HH1 ARG 24 8.412 -2.593 -13.751 201 HH12 ARG 24 2HH1 ARG 24 9.143 -3.544 -15.000 202 HH21 ARG 24 1HH2 ARG 24 12.342 -3.463 -13.598 203 HH22 ARG 24 2HH2 ARG 24 11.374 -4.036 -14.915 204 H PHE 25 H PHE 25 7.609 0.151 -7.080 205 HA PHE 25 HA PHE 25 5.261 1.667 -7.454 206 HB2 PHE 25 2HB PHE 25 5.213 -0.484 -6.318 207 HB3 PHE 25 1HB PHE 25 6.226 0.146 -5.025 208 HD1 PHE 25 2HD PHE 25 2.913 0.534 -6.643 209 HD2 PHE 25 1HD PHE 25 5.282 1.200 -3.170 210 HE1 PHE 25 2HE PHE 25 0.903 1.233 -5.410 211 HE2 PHE 25 1HE PHE 25 3.274 1.900 -1.930 212 HZ PHE 25 HZ PHE 25 1.082 1.918 -3.051 213 H LYS 26 H LYS 26 7.718 1.894 -4.872 214 HA LYS 26 HA LYS 26 6.681 4.139 -3.599 215 HB2 LYS 26 2HB LYS 26 9.512 3.126 -3.810 216 HB3 LYS 26 1HB LYS 26 9.055 4.480 -2.786 217 HG2 LYS 26 2HG LYS 26 7.535 3.031 -1.542 218 HG3 LYS 26 1HG LYS 26 7.986 1.672 -2.573 219 HD2 LYS 26 2HD LYS 26 10.256 1.757 -1.782 220 HD3 LYS 26 1HD LYS 26 9.928 3.234 -0.873 221 HE2 LYS 26 2HE LYS 26 9.967 1.268 0.584 222 HE3 LYS 26 1HE LYS 26 8.375 2.027 0.560 223 HZ1 LYS 26 3HZ LYS 26 7.645 0.340 -1.019 224 HZ2 LYS 26 1HZ LYS 26 8.199 -0.371 0.414 225 HZ3 LYS 26 2HZ LYS 26 9.169 -0.392 -0.972 226 H TYR 27 H TYR 27 8.827 3.926 -6.386 227 HA TYR 27 HA TYR 27 9.443 6.710 -6.458 228 HB2 TYR 27 2HB TYR 27 10.906 5.028 -7.497 229 HB3 TYR 27 1HB TYR 27 9.634 4.634 -8.652 230 HD1 TYR 27 2HD TYR 27 11.953 7.308 -7.565 231 HD2 TYR 27 1HD TYR 27 9.326 5.926 -10.613 232 HE1 TYR 27 2HE TYR 27 12.791 9.060 -9.074 233 HE2 TYR 27 1HE TYR 27 10.157 7.673 -12.130 234 HH TYR 27 HH TYR 27 11.244 9.891 -11.959 235 H PHE 28 H PHE 28 6.816 4.781 -7.631 236 HA PHE 28 HA PHE 28 5.933 6.671 -9.599 237 HB2 PHE 28 2HB PHE 28 5.486 4.091 -9.416 238 HB3 PHE 28 1HB PHE 28 4.120 4.600 -8.428 239 HD1 PHE 28 2HD PHE 28 5.616 4.710 -11.775 240 HD2 PHE 28 1HD PHE 28 2.218 5.676 -9.402 241 HE1 PHE 28 2HE PHE 28 4.316 5.141 -13.819 242 HE2 PHE 28 1HE PHE 28 0.912 6.111 -11.442 243 HZ PHE 28 HZ PHE 28 1.962 5.844 -13.654 244 H ALA 29 H ALA 29 4.611 5.648 -6.438 245 HA ALA 29 HA ALA 29 2.638 7.702 -6.394 246 HB1 ALA 29 1HB ALA 29 2.255 7.009 -4.080 247 HB2 ALA 29 2HB ALA 29 3.712 6.018 -4.136 248 HB3 ALA 29 3HB ALA 29 2.336 5.621 -5.166 249 H LEU 30 H LEU 30 5.699 7.268 -4.620 250 HA LEU 30 HA LEU 30 5.557 10.039 -3.704 251 HB2 LEU 30 2HB LEU 30 7.666 7.998 -3.033 252 HB3 LEU 30 1HB LEU 30 7.285 9.472 -2.164 253 HG LEU 30 HG LEU 30 5.404 7.122 -2.387 254 HD11 LEU 30 1HD1 LEU 30 6.040 6.589 -0.100 255 HD12 LEU 30 2HD1 LEU 30 7.242 7.880 -0.122 256 HD13 LEU 30 3HD1 LEU 30 7.428 6.484 -1.183 257 HD21 LEU 30 3HD2 LEU 30 4.321 9.275 -1.972 258 HD22 LEU 30 1HD2 LEU 30 5.384 9.544 -0.590 259 HD23 LEU 30 2HD2 LEU 30 4.222 8.219 -0.562 260 H THR 31 H THR 31 6.039 11.191 -5.566 261 HA THR 31 HA THR 31 8.515 10.614 -6.987 262 HB THR 31 HB THR 31 7.814 12.383 -8.542 263 HG1 THR 31 1HG THR 31 5.285 12.703 -7.638 264 HG21 THR 31 3HG2 THR 31 5.664 10.372 -7.877 265 HG22 THR 31 1HG2 THR 31 7.035 10.125 -8.958 266 HG23 THR 31 2HG2 THR 31 5.769 11.275 -9.388 267 H GLU 32 H GLU 32 7.043 13.344 -5.240 268 HA GLU 32 HA GLU 32 9.606 14.739 -5.247 269 HB2 GLU 32 2HB GLU 32 7.526 15.965 -5.810 270 HB3 GLU 32 1HB GLU 32 6.922 15.645 -4.191 271 HG2 GLU 32 2HG GLU 32 7.808 17.899 -4.388 272 HG3 GLU 32 1HG GLU 32 8.737 16.942 -3.234 273 H PHE 33 H PHE 33 7.926 12.595 -3.267 274 HA PHE 33 HA PHE 33 8.815 13.691 -0.747 275 HB2 PHE 33 2HB PHE 33 7.571 11.019 -1.427 276 HB3 PHE 33 1HB PHE 33 7.919 11.573 0.208 277 HD1 PHE 33 2HD PHE 33 6.867 13.887 0.846 278 HD2 PHE 33 1HD PHE 33 5.479 11.390 -2.311 279 HE1 PHE 33 2HE PHE 33 4.674 14.997 0.938 280 HE2 PHE 33 1HE PHE 33 3.283 12.499 -2.225 281 HZ PHE 33 HZ PHE 33 2.879 14.304 -0.598 282 H GLN 34 H GLN 34 10.040 11.527 -3.134 283 HA GLN 34 HA GLN 34 11.847 10.117 -3.208 284 HB2 GLN 34 2HB GLN 34 13.024 12.378 -1.582 285 HB3 GLN 34 1HB GLN 34 13.937 11.193 -2.505 286 HG2 GLN 34 2HG GLN 34 12.895 12.020 -4.568 287 HG3 GLN 34 1HG GLN 34 12.028 13.232 -3.627 288 HE21 GLN 34 1HE2 GLN 34 14.297 13.661 -1.830 289 HE22 GLN 34 2HE2 GLN 34 15.443 14.594 -2.726 290 H ILE 35 H ILE 35 10.509 8.718 -1.653 291 HA ILE 35 HA ILE 35 11.149 8.579 1.081 292 HB ILE 35 HB ILE 35 9.176 7.494 -0.045 293 HG12 ILE 35 2HG1 ILE 35 10.729 5.506 1.603 294 HG13 ILE 35 1HG1 ILE 35 10.078 6.984 2.306 295 HG21 ILE 35 1HG2 ILE 35 9.466 5.249 -0.966 296 HG22 ILE 35 2HG2 ILE 35 11.212 5.395 -0.778 297 HG23 ILE 35 3HG2 ILE 35 10.355 6.451 -1.901 298 HD11 ILE 35 3HD1 ILE 35 8.601 5.089 2.681 299 HD12 ILE 35 1HD1 ILE 35 8.475 4.831 0.941 300 HD13 ILE 35 2HD1 ILE 35 7.827 6.304 1.663 301 H ALA 36 H ALA 36 12.605 7.340 2.230 302 HA ALA 36 HA ALA 36 15.115 6.872 1.041 303 HB1 ALA 36 1HB ALA 36 14.035 5.928 3.692 304 HB2 ALA 36 2HB ALA 36 14.920 7.422 3.386 305 HB3 ALA 36 3HB ALA 36 15.729 5.866 3.204 306 H ARG 37 H ARG 37 15.926 5.184 0.003 307 HA ARG 37 HA ARG 37 14.345 2.946 -0.693 308 HB2 ARG 37 2HB ARG 37 16.020 3.675 -2.226 309 HB3 ARG 37 1HB ARG 37 17.283 3.549 -1.009 310 HG2 ARG 37 2HG ARG 37 16.792 1.055 -0.978 311 HG3 ARG 37 1HG ARG 37 15.856 1.337 -2.447 312 HD2 ARG 37 2HD ARG 37 18.202 0.610 -2.850 313 HD3 ARG 37 1HD ARG 37 17.785 2.150 -3.601 314 HE ARG 37 HE ARG 37 18.901 2.659 -1.087 315 HH11 ARG 37 1HH1 ARG 37 19.847 1.410 -4.202 316 HH12 ARG 37 2HH1 ARG 37 21.492 1.928 -4.051 317 HH21 ARG 37 1HH2 ARG 37 21.064 3.344 -0.883 318 HH22 ARG 37 2HH2 ARG 37 22.182 3.030 -2.167 319 H SER 38 H SER 38 16.786 3.478 1.767 320 HA SER 38 HA SER 38 17.385 0.841 2.435 321 HB2 SER 38 2HB SER 38 18.088 1.745 4.623 322 HB3 SER 38 1HB SER 38 18.665 2.741 3.287 323 HG SER 38 HG SER 38 17.548 4.344 4.043 324 H THR 39 H THR 39 14.581 2.763 3.191 325 HA THR 39 HA THR 39 13.617 1.386 5.427 326 HB THR 39 HB THR 39 11.447 2.312 4.934 327 HG1 THR 39 1HG THR 39 11.167 3.427 2.886 328 HG21 THR 39 3HG2 THR 39 12.035 4.690 4.655 329 HG22 THR 39 1HG2 THR 39 13.659 4.214 4.158 330 HG23 THR 39 2HG2 THR 39 13.102 3.871 5.795 331 H LEU 40 H LEU 40 13.824 0.369 2.166 332 HA LEU 40 HA LEU 40 11.647 -1.269 1.799 333 HB2 LEU 40 2HB LEU 40 14.395 -1.181 0.773 334 HB3 LEU 40 1HB LEU 40 13.630 -2.754 0.662 335 HG LEU 40 HG LEU 40 11.737 -1.703 -0.568 336 HD11 LEU 40 1HD1 LEU 40 12.055 0.582 0.327 337 HD12 LEU 40 2HD1 LEU 40 11.940 0.531 -1.432 338 HD13 LEU 40 3HD1 LEU 40 13.511 0.731 -0.658 339 HD21 LEU 40 3HD2 LEU 40 14.481 -1.329 -1.759 340 HD22 LEU 40 1HD2 LEU 40 12.970 -1.385 -2.668 341 HD23 LEU 40 2HD2 LEU 40 13.519 -2.808 -1.781 342 H ASP 41 H ASP 41 14.087 -1.655 4.156 343 HA ASP 41 HA ASP 41 14.211 -4.426 4.442 344 HB2 ASP 41 2HB ASP 41 15.659 -2.781 5.634 345 HB3 ASP 41 1HB ASP 41 14.294 -2.385 6.673 346 H VAL 42 H VAL 42 12.050 -2.119 6.086 347 HA VAL 42 HA VAL 42 10.104 -4.299 6.445 348 HB VAL 42 HB VAL 42 9.457 -3.229 8.631 349 HG11 VAL 42 1HG1 VAL 42 12.247 -4.367 8.477 350 HG12 VAL 42 2HG1 VAL 42 10.754 -5.303 8.528 351 HG13 VAL 42 3HG1 VAL 42 11.223 -4.316 9.912 352 HG21 VAL 42 3HG2 VAL 42 11.142 -1.842 9.756 353 HG22 VAL 42 1HG2 VAL 42 10.506 -1.067 8.304 354 HG23 VAL 42 2HG2 VAL 42 12.100 -1.821 8.276 355 H ALA 43 H ALA 43 10.580 -1.797 4.708 356 HA ALA 43 HA ALA 43 8.890 0.267 5.101 357 HB1 ALA 43 1HB ALA 43 9.315 -1.180 2.502 358 HB2 ALA 43 2HB ALA 43 10.324 0.107 3.165 359 HB3 ALA 43 3HB ALA 43 8.666 0.451 2.672 360 H ASP 44 H ASP 44 7.910 -2.934 3.985 361 HA ASP 44 HA ASP 44 5.323 -2.267 3.211 362 HB2 ASP 44 2HB ASP 44 4.799 -4.683 3.652 363 HB3 ASP 44 1HB ASP 44 6.192 -4.399 2.615 364 H ARG 45 H ARG 45 6.344 -3.531 6.430 365 HA ARG 45 HA ARG 45 3.677 -3.151 7.432 366 HB2 ARG 45 2HB ARG 45 6.076 -3.647 9.157 367 HB3 ARG 45 1HB ARG 45 4.408 -4.138 9.418 368 HG2 ARG 45 2HG ARG 45 4.632 -5.674 7.467 369 HG3 ARG 45 1HG ARG 45 6.349 -5.261 7.415 370 HD2 ARG 45 2HD ARG 45 4.897 -6.504 9.750 371 HD3 ARG 45 1HD ARG 45 5.965 -7.350 8.629 372 HE ARG 45 HE ARG 45 7.186 -5.107 9.963 373 HH11 ARG 45 1HH1 ARG 45 6.489 -8.518 10.108 374 HH12 ARG 45 2HH1 ARG 45 7.791 -8.869 11.196 375 HH21 ARG 45 1HH2 ARG 45 8.901 -5.559 11.397 376 HH22 ARG 45 2HH2 ARG 45 9.161 -7.187 11.930 377 H THR 46 H THR 46 6.769 -1.784 8.589 378 HA THR 46 HA THR 46 5.354 0.201 10.123 379 HB THR 46 HB THR 46 7.590 0.857 10.944 380 HG1 THR 46 1HG THR 46 9.037 -1.182 10.146 381 HG21 THR 46 3HG2 THR 46 6.974 -2.099 11.039 382 HG22 THR 46 1HG2 THR 46 6.273 -0.863 12.084 383 HG23 THR 46 2HG2 THR 46 7.997 -1.220 12.176 384 H GLU 47 H GLU 47 7.941 0.518 7.665 385 HA GLU 47 HA GLU 47 7.922 3.346 7.810 386 HB2 GLU 47 2HB GLU 47 9.388 1.281 6.393 387 HB3 GLU 47 1HB GLU 47 9.198 2.759 5.454 388 HG2 GLU 47 2HG GLU 47 11.268 2.742 6.752 389 HG3 GLU 47 1HG GLU 47 10.195 4.054 7.239 390 H LEU 48 H LEU 48 6.992 1.346 4.975 391 HA LEU 48 HA LEU 48 6.125 3.501 3.442 392 HB2 LEU 48 2HB LEU 48 6.333 0.813 3.028 393 HB3 LEU 48 1HB LEU 48 4.595 1.035 3.025 394 HG LEU 48 HG LEU 48 6.568 2.447 1.227 395 HD11 LEU 48 1HD1 LEU 48 5.548 1.142 -0.551 396 HD12 LEU 48 2HD1 LEU 48 4.494 0.346 0.617 397 HD13 LEU 48 3HD1 LEU 48 6.237 0.083 0.681 398 HD21 LEU 48 3HD2 LEU 48 4.663 3.879 1.776 399 HD22 LEU 48 1HD2 LEU 48 3.556 2.595 1.293 400 HD23 LEU 48 2HD2 LEU 48 4.605 3.350 0.095 401 H ALA 49 H ALA 49 4.256 1.457 5.656 402 HA ALA 49 HA ALA 49 1.726 2.481 5.077 403 HB1 ALA 49 1HB ALA 49 2.724 1.444 7.726 404 HB2 ALA 49 2HB ALA 49 2.102 0.458 6.401 405 HB3 ALA 49 3HB ALA 49 1.037 1.593 7.230 406 H ASP 50 H ASP 50 3.917 3.455 7.725 407 HA ASP 50 HA ASP 50 2.266 5.580 8.607 408 HB2 ASP 50 2HB ASP 50 3.917 4.506 10.062 409 HB3 ASP 50 1HB ASP 50 5.220 5.126 9.054 410 H HIS 51 H HIS 51 4.890 5.409 6.290 411 HA HIS 51 HA HIS 51 5.427 8.163 6.094 412 HB2 HIS 51 2HB HIS 51 6.911 6.351 5.260 413 HB3 HIS 51 1HB HIS 51 5.773 6.069 3.946 414 HD1 HIS 51 1HD HIS 51 8.590 8.235 4.953 415 HD2 HIS 51 2HD HIS 51 5.608 8.206 2.060 416 HE1 HIS 51 1HE HIS 51 9.283 9.924 3.203 417 H LEU 52 H LEU 52 3.523 6.107 3.865 418 HA LEU 52 HA LEU 52 2.696 8.116 2.157 419 HB2 LEU 52 2HB LEU 52 0.778 6.623 1.599 420 HB3 LEU 52 1HB LEU 52 2.357 5.866 1.517 421 HG LEU 52 HG LEU 52 1.757 5.094 3.969 422 HD11 LEU 52 1HD1 LEU 52 -0.572 4.679 4.318 423 HD12 LEU 52 2HD1 LEU 52 -0.978 5.334 2.733 424 HD13 LEU 52 3HD1 LEU 52 -0.365 6.399 3.995 425 HD21 LEU 52 3HD2 LEU 52 2.238 3.554 2.218 426 HD22 LEU 52 1HD2 LEU 52 0.705 3.895 1.417 427 HD23 LEU 52 2HD2 LEU 52 0.723 3.055 2.966 428 H ILE 53 H ILE 53 1.371 7.241 5.289 429 HA ILE 53 HA ILE 53 -1.112 8.493 5.135 430 HB ILE 53 HB ILE 53 0.707 8.179 7.524 431 HG12 ILE 53 2HG1 ILE 53 -1.743 6.595 6.736 432 HG13 ILE 53 1HG1 ILE 53 -0.103 6.109 6.327 433 HG21 ILE 53 1HG2 ILE 53 -1.328 8.525 8.879 434 HG22 ILE 53 2HG2 ILE 53 -2.207 8.951 7.410 435 HG23 ILE 53 3HG2 ILE 53 -0.870 9.959 7.962 436 HD11 ILE 53 3HD1 ILE 53 -0.898 4.924 8.282 437 HD12 ILE 53 1HD1 ILE 53 -1.209 6.452 9.104 438 HD13 ILE 53 2HD1 ILE 53 0.444 5.985 8.706 439 H GLN 54 H GLN 54 2.007 9.843 6.152 440 HA GLN 54 HA GLN 54 1.123 12.380 6.888 441 HB2 GLN 54 2HB GLN 54 3.383 11.464 7.341 442 HB3 GLN 54 1HB GLN 54 3.779 11.666 5.640 443 HG2 GLN 54 2HG GLN 54 3.400 14.090 5.869 444 HG3 GLN 54 1HG GLN 54 3.105 13.854 7.591 445 HE21 GLN 54 1HE2 GLN 54 4.831 15.160 8.175 446 HE22 GLN 54 2HE2 GLN 54 6.474 14.656 7.994 447 H SER 55 H SER 55 1.621 11.015 3.723 448 HA SER 55 HA SER 55 1.829 13.491 2.327 449 HB2 SER 55 2HB SER 55 1.059 10.749 1.308 450 HB3 SER 55 1HB SER 55 1.484 12.132 0.300 451 HG SER 55 HG SER 55 3.293 10.835 0.584 452 H ALA 56 H ALA 56 -0.858 11.113 2.442 453 HA ALA 56 HA ALA 56 -2.689 13.373 1.952 454 HB1 ALA 56 1HB ALA 56 -4.085 11.935 0.596 455 HB2 ALA 56 2HB ALA 56 -2.997 10.576 0.875 456 HB3 ALA 56 3HB ALA 56 -2.444 11.974 -0.048 457 H GLY 57 H GLY 57 -2.231 10.254 3.528 458 HA2 GLY 57 2HA GLY 57 -3.337 10.578 5.893 459 HA3 GLY 57 1HA GLY 57 -4.795 10.540 4.913 460 H ALA 58 H ALA 58 -4.799 8.689 6.734 461 HA ALA 58 HA ALA 58 -3.428 6.284 6.062 462 HB1 ALA 58 1HB ALA 58 -5.843 6.678 7.820 463 HB2 ALA 58 2HB ALA 58 -4.162 6.769 8.341 464 HB3 ALA 58 3HB ALA 58 -4.824 5.240 7.760 465 H ALA 59 H ALA 59 -6.953 6.822 6.135 466 HA ALA 59 HA ALA 59 -7.514 4.591 4.497 467 HB1 ALA 59 1HB ALA 59 -9.109 5.526 6.107 468 HB2 ALA 59 2HB ALA 59 -9.801 5.392 4.490 469 HB3 ALA 59 3HB ALA 59 -9.274 6.962 5.097 470 H SER 60 H SER 60 -6.998 7.984 3.765 471 HA SER 60 HA SER 60 -8.065 7.973 1.154 472 HB2 SER 60 2HB SER 60 -7.646 10.049 2.366 473 HB3 SER 60 1HB SER 60 -5.911 9.729 2.350 474 HG SER 60 HG SER 60 -6.032 10.886 0.583 475 H ALA 61 H ALA 61 -4.709 7.595 2.290 476 HA ALA 61 HA ALA 61 -3.656 7.228 -0.328 477 HB1 ALA 61 1HB ALA 61 -1.576 6.659 0.780 478 HB2 ALA 61 2HB ALA 61 -2.418 6.522 2.325 479 HB3 ALA 61 3HB ALA 61 -2.304 8.086 1.517 480 H VAL 62 H VAL 62 -4.575 4.968 2.253 481 HA VAL 62 HA VAL 62 -3.565 2.633 1.096 482 HB VAL 62 HB VAL 62 -5.947 3.012 2.914 483 HG11 VAL 62 1HG1 VAL 62 -5.766 0.601 3.391 484 HG12 VAL 62 2HG1 VAL 62 -4.564 0.454 2.109 485 HG13 VAL 62 3HG1 VAL 62 -6.219 0.916 1.715 486 HG21 VAL 62 3HG2 VAL 62 -3.694 3.653 3.768 487 HG22 VAL 62 1HG2 VAL 62 -3.179 1.986 3.517 488 HG23 VAL 62 2HG2 VAL 62 -4.461 2.348 4.673 489 H THR 63 H THR 63 -6.497 4.422 0.424 490 HA THR 63 HA THR 63 -7.781 2.361 -1.074 491 HB THR 63 HB THR 63 -8.245 5.350 -1.139 492 HG1 THR 63 1HG THR 63 -9.904 4.863 0.337 493 HG21 THR 63 3HG2 THR 63 -10.481 4.718 -2.020 494 HG22 THR 63 1HG2 THR 63 -9.923 3.050 -2.152 495 HG23 THR 63 2HG2 THR 63 -9.164 4.313 -3.122 496 H LYS 64 H LYS 64 -6.180 5.385 -2.099 497 HA LYS 64 HA LYS 64 -6.290 4.826 -4.858 498 HB2 LYS 64 2HB LYS 64 -4.600 6.616 -5.079 499 HB3 LYS 64 1HB LYS 64 -5.951 7.083 -4.054 500 HG2 LYS 64 2HG LYS 64 -4.682 7.066 -2.138 501 HG3 LYS 64 1HG LYS 64 -3.497 5.943 -2.807 502 HD2 LYS 64 2HD LYS 64 -2.605 7.662 -4.236 503 HD3 LYS 64 1HD LYS 64 -3.863 8.790 -3.727 504 HE2 LYS 64 2HE LYS 64 -1.749 9.247 -2.592 505 HE3 LYS 64 1HE LYS 64 -2.995 8.745 -1.449 506 HZ1 LYS 64 3HZ LYS 64 -0.837 7.019 -2.537 507 HZ2 LYS 64 1HZ LYS 64 -2.045 6.515 -1.465 508 HZ3 LYS 64 2HZ LYS 64 -0.901 7.660 -0.973 509 H ALA 65 H ALA 65 -4.049 3.896 -2.368 510 HA ALA 65 HA ALA 65 -1.782 3.262 -3.831 511 HB1 ALA 65 1HB ALA 65 -1.813 3.214 -1.408 512 HB2 ALA 65 2HB ALA 65 -1.265 1.660 -2.035 513 HB3 ALA 65 3HB ALA 65 -2.910 1.834 -1.426 514 H ILE 66 H ILE 66 -4.817 1.575 -3.579 515 HA ILE 66 HA ILE 66 -3.958 -0.930 -4.591 516 HB ILE 66 HB ILE 66 -6.695 0.345 -4.595 517 HG12 ILE 66 2HG1 ILE 66 -5.739 -0.109 -2.365 518 HG13 ILE 66 1HG1 ILE 66 -7.136 -1.126 -2.700 519 HG21 ILE 66 1HG2 ILE 66 -5.855 -2.448 -5.336 520 HG22 ILE 66 2HG2 ILE 66 -6.700 -1.272 -6.340 521 HG23 ILE 66 3HG2 ILE 66 -7.515 -1.993 -4.954 522 HD11 ILE 66 3HD1 ILE 66 -4.247 -1.954 -2.845 523 HD12 ILE 66 1HD1 ILE 66 -5.622 -2.980 -3.259 524 HD13 ILE 66 2HD1 ILE 66 -5.416 -2.406 -1.604 525 H ASN 67 H ASN 67 -5.472 1.882 -6.157 526 HA ASN 67 HA ASN 67 -5.569 0.758 -8.745 527 HB2 ASN 67 2HB ASN 67 -5.627 3.608 -7.762 528 HB3 ASN 67 1HB ASN 67 -5.763 3.195 -9.468 529 HD21 ASN 67 1HD2 ASN 67 -7.087 1.245 -6.881 530 HD22 ASN 67 2HD2 ASN 67 -8.747 1.543 -7.250 531 H ILE 68 H ILE 68 -3.090 2.553 -7.031 532 HA ILE 68 HA ILE 68 -1.453 3.000 -9.336 533 HB ILE 68 HB ILE 68 -0.736 3.136 -6.405 534 HG12 ILE 68 2HG1 ILE 68 -1.386 5.378 -8.326 535 HG13 ILE 68 1HG1 ILE 68 -2.545 4.695 -7.190 536 HG21 ILE 68 1HG2 ILE 68 0.739 4.147 -8.833 537 HG22 ILE 68 2HG2 ILE 68 1.249 2.847 -7.757 538 HG23 ILE 68 3HG2 ILE 68 1.170 4.505 -7.161 539 HD11 ILE 68 3HD1 ILE 68 -1.566 6.775 -6.374 540 HD12 ILE 68 1HD1 ILE 68 0.039 6.051 -6.452 541 HD13 ILE 68 2HD1 ILE 68 -1.162 5.412 -5.329 542 H PHE 69 H PHE 69 -1.457 0.636 -6.706 543 HA PHE 69 HA PHE 69 0.976 -0.628 -7.463 544 HB2 PHE 69 2HB PHE 69 0.117 -0.754 -5.179 545 HB3 PHE 69 1HB PHE 69 -1.295 -1.638 -5.743 546 HD1 PHE 69 2HD PHE 69 2.398 -1.826 -5.473 547 HD2 PHE 69 1HD PHE 69 -1.254 -3.963 -5.925 548 HE1 PHE 69 2HE PHE 69 3.602 -3.946 -5.145 549 HE2 PHE 69 1HE PHE 69 -0.057 -6.087 -5.598 550 HZ PHE 69 HZ PHE 69 2.374 -6.080 -5.208 551 H GLN 70 H GLN 70 -2.419 -1.271 -8.197 552 HA GLN 70 HA GLN 70 -2.019 -3.829 -9.306 553 HB2 GLN 70 2HB GLN 70 -4.257 -3.597 -10.251 554 HB3 GLN 70 1HB GLN 70 -4.219 -3.069 -8.579 555 HG2 GLN 70 2HG GLN 70 -4.155 -0.733 -9.344 556 HG3 GLN 70 1HG GLN 70 -4.263 -1.301 -11.010 557 HE21 GLN 70 1HE2 GLN 70 -5.946 -0.940 -7.994 558 HE22 GLN 70 2HE2 GLN 70 -7.535 -1.212 -8.614 559 H LYS 71 H LYS 71 -2.547 -0.733 -10.994 560 HA LYS 71 HA LYS 71 -2.099 -1.814 -13.565 561 HB2 LYS 71 2HB LYS 71 -3.395 0.258 -13.037 562 HB3 LYS 71 1HB LYS 71 -1.870 1.072 -12.718 563 HG2 LYS 71 2HG LYS 71 -1.175 0.729 -15.014 564 HG3 LYS 71 1HG LYS 71 -2.658 -0.167 -15.348 565 HD2 LYS 71 2HD LYS 71 -2.626 2.688 -14.389 566 HD3 LYS 71 1HD LYS 71 -2.652 2.240 -16.095 567 HE2 LYS 71 2HE LYS 71 -4.710 1.395 -14.059 568 HE3 LYS 71 1HE LYS 71 -4.898 2.747 -15.174 569 HZ1 LYS 71 3HZ LYS 71 -4.483 -0.079 -15.988 570 HZ2 LYS 71 1HZ LYS 71 -4.759 1.232 -17.022 571 HZ3 LYS 71 2HZ LYS 71 -5.976 0.714 -15.968 572 H LEU 72 H LEU 72 0.153 -1.226 -11.129 573 HA LEU 72 HA LEU 72 2.244 -0.433 -13.029 574 HB2 LEU 72 2HB LEU 72 1.758 -0.113 -10.189 575 HB3 LEU 72 1HB LEU 72 3.388 -0.650 -10.527 576 HG LEU 72 HG LEU 72 3.209 1.790 -10.338 577 HD11 LEU 72 1HD1 LEU 72 4.444 2.351 -12.356 578 HD12 LEU 72 2HD1 LEU 72 3.895 0.860 -13.121 579 HD13 LEU 72 3HD1 LEU 72 4.964 0.790 -11.720 580 HD21 LEU 72 3HD2 LEU 72 1.493 1.599 -12.807 581 HD22 LEU 72 1HD2 LEU 72 2.072 3.086 -12.056 582 HD23 LEU 72 2HD2 LEU 72 0.935 2.048 -11.196 583 H ASN 73 H ASN 73 1.626 -3.045 -10.643 584 HA ASN 73 HA ASN 73 3.822 -4.491 -11.974 585 HB2 ASN 73 2HB ASN 73 3.161 -4.493 -9.035 586 HB3 ASN 73 1HB ASN 73 4.365 -5.531 -9.795 587 HD21 ASN 73 1HD2 ASN 73 4.680 -3.494 -7.737 588 HD22 ASN 73 2HD2 ASN 73 5.824 -2.359 -8.358 589 H TYR 74 H TYR 74 0.952 -5.079 -9.932 590 HA TYR 74 HA TYR 74 0.494 -7.531 -11.480 591 HB2 TYR 74 2HB TYR 74 0.761 -7.396 -8.486 592 HB3 TYR 74 1HB TYR 74 -0.029 -8.736 -9.311 593 HD1 TYR 74 1HD TYR 74 3.176 -7.023 -8.747 594 HD2 TYR 74 2HD TYR 74 1.250 -10.370 -10.532 595 HE1 TYR 74 1HE TYR 74 5.363 -8.092 -9.089 596 HE2 TYR 74 2HE TYR 74 3.432 -11.448 -10.878 597 HH TYR 74 HH TYR 74 6.295 -10.318 -9.413 598 H MET 75 H MET 75 -1.131 -5.721 -12.197 599 HA MET 75 HA MET 75 -3.302 -4.964 -10.674 600 HB2 MET 75 2HB MET 75 -4.522 -4.682 -12.773 601 HB3 MET 75 1HB MET 75 -2.874 -4.091 -12.914 602 HG2 MET 75 2HG MET 75 -2.217 -6.085 -14.105 603 HG3 MET 75 1HG MET 75 -3.823 -6.777 -13.883 604 HE1 MET 75 3HE MET 75 -5.649 -4.192 -14.317 605 HE2 MET 75 1HE MET 75 -6.035 -5.762 -15.019 606 HE3 MET 75 2HE MET 75 -6.021 -4.322 -16.036 607 H HIS 76 H HIS 76 -2.483 -8.133 -11.466 608 HA HIS 76 HA HIS 76 -5.168 -9.162 -11.645 609 HB2 HIS 76 2HB HIS 76 -3.205 -10.211 -12.789 610 HB3 HIS 76 1HB HIS 76 -2.610 -10.707 -11.207 611 HD1 HIS 76 1HD HIS 76 -3.403 -12.953 -10.421 612 HD2 HIS 76 2HD HIS 76 -5.850 -11.343 -13.368 613 HE1 HIS 76 1HE HIS 76 -5.116 -14.731 -10.971 614 H ILE 77 H ILE 77 -2.560 -9.400 -9.205 615 HA ILE 77 HA ILE 77 -4.171 -10.793 -7.321 616 HB ILE 77 HB ILE 77 -1.719 -10.905 -7.262 617 HG12 ILE 77 2HG1 ILE 77 -2.878 -9.699 -4.738 618 HG13 ILE 77 1HG1 ILE 77 -3.068 -11.378 -5.229 619 HG21 ILE 77 1HG2 ILE 77 -1.259 -8.579 -7.877 620 HG22 ILE 77 2HG2 ILE 77 -0.399 -9.045 -6.410 621 HG23 ILE 77 3HG2 ILE 77 -1.849 -8.047 -6.303 622 HD11 ILE 77 3HD1 ILE 77 -0.469 -10.009 -4.571 623 HD12 ILE 77 1HD1 ILE 77 -0.652 -11.692 -5.067 624 HD13 ILE 77 2HD1 ILE 77 -1.344 -11.142 -3.540 625 H ALA 78 H ALA 78 -3.468 -7.385 -7.849 626 HA ALA 78 HA ALA 78 -4.482 -6.396 -5.423 627 HB1 ALA 78 1HB ALA 78 -4.562 -4.238 -6.514 628 HB2 ALA 78 2HB ALA 78 -4.417 -5.005 -8.094 629 HB3 ALA 78 3HB ALA 78 -3.077 -5.084 -6.950 630 H ASN 79 H ASN 79 -6.077 -7.366 -8.382 631 HA ASN 79 HA ASN 79 -8.531 -6.081 -8.064 632 HB2 ASN 79 2HB ASN 79 -7.885 -7.285 -10.111 633 HB3 ASN 79 1HB ASN 79 -8.003 -8.816 -9.249 634 HD21 ASN 79 1HD2 ASN 79 -9.575 -9.606 -10.621 635 HD22 ASN 79 2HD2 ASN 79 -11.201 -9.024 -10.604 636 H ALA 80 H ALA 80 -7.368 -9.137 -6.724 637 HA ALA 80 HA ALA 80 -9.844 -9.822 -5.481 638 HB1 ALA 80 1HB ALA 80 -8.576 -11.571 -4.362 639 HB2 ALA 80 2HB ALA 80 -7.064 -10.827 -4.882 640 HB3 ALA 80 3HB ALA 80 -8.168 -11.507 -6.076 641 H LEU 81 H LEU 81 -7.018 -8.004 -4.529 642 HA LEU 81 HA LEU 81 -7.558 -7.967 -1.734 643 HB2 LEU 81 2HB LEU 81 -5.319 -7.618 -2.594 644 HB3 LEU 81 1HB LEU 81 -5.839 -6.178 -3.447 645 HG LEU 81 HG LEU 81 -6.312 -5.090 -1.271 646 HD11 LEU 81 1HD1 LEU 81 -6.735 -7.101 0.049 647 HD12 LEU 81 2HD1 LEU 81 -5.477 -6.104 0.781 648 HD13 LEU 81 3HD1 LEU 81 -5.040 -7.563 -0.107 649 HD21 LEU 81 3HD2 LEU 81 -3.975 -4.750 -0.638 650 HD22 LEU 81 1HD2 LEU 81 -4.179 -4.735 -2.390 651 HD23 LEU 81 2HD2 LEU 81 -3.512 -6.160 -1.592 652 H GLU 82 H GLU 82 -8.272 -5.695 -4.374 653 HA GLU 82 HA GLU 82 -9.168 -3.563 -2.816 654 HB2 GLU 82 2HB GLU 82 -10.324 -2.759 -4.787 655 HB3 GLU 82 1HB GLU 82 -8.754 -3.404 -5.240 656 HG2 GLU 82 2HG GLU 82 -9.756 -5.406 -6.089 657 HG3 GLU 82 1HG GLU 82 -11.342 -4.914 -5.496 658 H GLU 83 H GLU 83 -10.700 -6.582 -3.552 659 HA GLU 83 HA GLU 83 -13.383 -5.928 -3.149 660 HB2 GLU 83 2HB GLU 83 -11.953 -8.494 -2.430 661 HB3 GLU 83 1HB GLU 83 -13.696 -8.305 -2.565 662 HG2 GLU 83 2HG GLU 83 -13.412 -7.710 -4.942 663 HG3 GLU 83 1HG GLU 83 -11.683 -8.011 -4.782 664 H LYS 84 H LYS 84 -10.791 -6.485 -0.875 665 HA LYS 84 HA LYS 84 -12.260 -6.836 1.471 666 HB2 LYS 84 2HB LYS 84 -9.780 -7.151 1.172 667 HB3 LYS 84 1HB LYS 84 -9.611 -5.404 1.247 668 HG2 LYS 84 2HG LYS 84 -9.104 -6.309 3.396 669 HG3 LYS 84 1HG LYS 84 -10.643 -5.453 3.503 670 HD2 LYS 84 2HD LYS 84 -10.825 -7.531 4.703 671 HD3 LYS 84 1HD LYS 84 -11.813 -7.628 3.244 672 HE2 LYS 84 2HE LYS 84 -9.993 -8.854 2.122 673 HE3 LYS 84 1HE LYS 84 -9.053 -8.793 3.612 674 HZ1 LYS 84 3HZ LYS 84 -11.695 -10.112 3.300 675 HZ2 LYS 84 1HZ LYS 84 -10.764 -10.081 4.713 676 HZ3 LYS 84 2HZ LYS 84 -10.204 -10.907 3.347 677 H LYS 85 H LYS 85 -11.530 -3.949 -0.348 678 HA LYS 85 HA LYS 85 -11.880 -1.963 1.539 679 HB2 LYS 85 2HB LYS 85 -11.193 -1.594 -0.821 680 HB3 LYS 85 1HB LYS 85 -12.854 -1.884 -1.321 681 HG2 LYS 85 2HG LYS 85 -13.587 0.055 -0.028 682 HG3 LYS 85 1HG LYS 85 -11.922 0.345 0.479 683 HD2 LYS 85 2HD LYS 85 -12.417 1.825 -1.336 684 HD3 LYS 85 1HD LYS 85 -11.306 0.588 -1.928 685 HE2 LYS 85 2HE LYS 85 -13.160 -0.623 -2.934 686 HE3 LYS 85 1HE LYS 85 -14.301 0.560 -2.297 687 HZ1 LYS 85 3HZ LYS 85 -12.155 1.111 -4.276 688 HZ2 LYS 85 1HZ LYS 85 -13.235 2.257 -3.656 689 HZ3 LYS 85 2HZ LYS 85 -13.807 0.988 -4.615 690 H LYS 86 H LYS 86 -14.311 -3.883 -0.126 691 HA LYS 86 HA LYS 86 -16.586 -2.398 0.542 692 HB2 LYS 86 2HB LYS 86 -16.302 -5.391 0.212 693 HB3 LYS 86 1HB LYS 86 -17.828 -4.521 0.235 694 HG2 LYS 86 2HG LYS 86 -15.641 -4.119 -1.795 695 HG3 LYS 86 1HG LYS 86 -17.087 -5.099 -2.035 696 HD2 LYS 86 2HD LYS 86 -18.448 -3.046 -1.580 697 HD3 LYS 86 1HD LYS 86 -16.945 -2.121 -1.586 698 HE2 LYS 86 2HE LYS 86 -18.070 -3.743 -3.866 699 HE3 LYS 86 1HE LYS 86 -18.024 -1.984 -3.754 700 HZ1 LYS 86 3HZ LYS 86 -15.615 -2.075 -3.775 701 HZ2 LYS 86 1HZ LYS 86 -16.241 -2.845 -5.146 702 HZ3 LYS 86 2HZ LYS 86 -15.647 -3.764 -3.855 703 H GLU 87 H GLU 87 -14.764 -4.795 2.351 704 HA GLU 87 HA GLU 87 -16.629 -4.936 4.523 705 HB2 GLU 87 2HB GLU 87 -15.142 -6.816 3.986 706 HB3 GLU 87 1HB GLU 87 -13.740 -5.821 4.354 707 HG2 GLU 87 2HG GLU 87 -14.480 -5.644 6.678 708 HG3 GLU 87 1HG GLU 87 -15.878 -6.652 6.305 709 H ALA 88 H ALA 88 -13.851 -3.007 3.711 710 HA ALA 88 HA ALA 88 -13.111 -2.032 6.208 711 HB1 ALA 88 1HB ALA 88 -11.826 -1.646 4.160 712 HB2 ALA 88 2HB ALA 88 -12.144 -0.142 5.023 713 HB3 ALA 88 3HB ALA 88 -13.079 -0.547 3.584 714 H GLU 89 H GLU 89 -15.850 -1.250 4.212 715 HA GLU 89 HA GLU 89 -16.601 1.234 5.134 716 HB2 GLU 89 2HB GLU 89 -18.364 -1.117 4.432 717 HB3 GLU 89 1HB GLU 89 -18.937 0.535 4.623 718 HG2 GLU 89 2HG GLU 89 -17.523 1.249 2.774 719 HG3 GLU 89 1HG GLU 89 -16.922 -0.398 2.591 720 H ARG 90 H ARG 90 -17.582 -1.912 6.516 721 HA ARG 90 HA ARG 90 -18.902 -0.695 8.738 722 HB2 ARG 90 2HB ARG 90 -19.087 -2.993 9.614 723 HB3 ARG 90 1HB ARG 90 -19.622 -2.871 7.944 724 HG2 ARG 90 2HG ARG 90 -17.599 -3.876 7.156 725 HG3 ARG 90 1HG ARG 90 -16.896 -3.837 8.774 726 HD2 ARG 90 2HD ARG 90 -19.368 -5.385 8.006 727 HD3 ARG 90 1HD ARG 90 -17.749 -6.073 8.119 728 HE ARG 90 HE ARG 90 -18.368 -4.797 10.541 729 HH11 ARG 90 1HH1 ARG 90 -19.312 -7.584 8.672 730 HH12 ARG 90 2HH1 ARG 90 -19.769 -8.517 10.058 731 HH21 ARG 90 1HH2 ARG 90 -18.966 -6.019 12.367 732 HH22 ARG 90 2HH2 ARG 90 -19.573 -7.628 12.158 733 H LYS 91 H LYS 91 -15.650 -1.454 8.048 734 HA LYS 91 HA LYS 91 -14.824 -1.708 10.806 735 HB2 LYS 91 2HB LYS 91 -13.169 -1.415 8.293 736 HB3 LYS 91 1HB LYS 91 -12.552 -1.838 9.886 737 HG2 LYS 91 2HG LYS 91 -13.827 -3.905 9.857 738 HG3 LYS 91 1HG LYS 91 -14.513 -3.475 8.291 739 HD2 LYS 91 2HD LYS 91 -12.722 -5.031 7.935 740 HD3 LYS 91 1HD LYS 91 -12.206 -3.446 7.355 741 HE2 LYS 91 2HE LYS 91 -10.965 -3.089 9.429 742 HE3 LYS 91 1HE LYS 91 -11.497 -4.661 10.026 743 HZ1 LYS 91 3HZ LYS 91 -9.270 -4.792 9.129 744 HZ2 LYS 91 1HZ LYS 91 -9.795 -4.192 7.636 745 HZ3 LYS 91 2HZ LYS 91 -10.327 -5.704 8.175 746 H LEU 92 H LEU 92 -15.282 0.822 8.527 747 HA LEU 92 HA LEU 92 -13.649 2.683 10.091 748 HB2 LEU 92 2HB LEU 92 -15.060 3.046 7.446 749 HB3 LEU 92 1HB LEU 92 -14.095 4.273 8.242 750 HG LEU 92 HG LEU 92 -13.055 1.626 7.227 751 HD11 LEU 92 1HD1 LEU 92 -11.922 2.966 5.529 752 HD12 LEU 92 2HD1 LEU 92 -12.710 4.419 6.144 753 HD13 LEU 92 3HD1 LEU 92 -13.674 3.135 5.415 754 HD21 LEU 92 3HD2 LEU 92 -10.845 2.587 7.698 755 HD22 LEU 92 1HD2 LEU 92 -11.811 2.397 9.163 756 HD23 LEU 92 2HD2 LEU 92 -11.623 3.990 8.431 757 H MET 93 H MET 93 -16.566 1.477 10.452 758 HA MET 93 HA MET 93 -18.010 3.985 10.847 759 HB2 MET 93 2HB MET 93 -19.195 2.142 9.747 760 HB3 MET 93 1HB MET 93 -18.919 1.115 11.146 761 HG2 MET 93 2HG MET 93 -20.314 2.524 12.514 762 HG3 MET 93 1HG MET 93 -20.509 3.669 11.189 763 HE1 MET 93 3HE MET 93 -22.219 -0.619 11.147 764 HE2 MET 93 1HE MET 93 -21.278 0.050 12.481 765 HE3 MET 93 2HE MET 93 -20.504 -0.269 10.930 766 H THR 94 H THR 94 -16.460 1.428 12.632 767 HA THR 94 HA THR 94 -17.226 2.752 15.153 768 HB THR 94 HB THR 94 -16.788 0.583 16.278 769 HG1 THR 94 1HG THR 94 -16.449 -1.246 15.036 770 HG21 THR 94 3HG2 THR 94 -19.073 1.179 15.680 771 HG22 THR 94 1HG2 THR 94 -18.825 -0.557 15.494 772 HG23 THR 94 2HG2 THR 94 -18.850 0.487 14.073 773 H ASN 95 H ASN 95 -15.647 3.330 16.570 774 HA ASN 95 HA ASN 95 -12.915 2.433 16.154 775 HB2 ASN 95 2HB ASN 95 -12.061 4.795 16.155 776 HB3 ASN 95 1HB ASN 95 -12.941 4.343 14.699 777 HD21 ASN 95 1HD2 ASN 95 -15.032 5.165 14.374 778 HD22 ASN 95 2HD2 ASN 95 -15.573 6.590 15.187 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -8.956 -2.014 15.023 2 H2 MET 1 2HT MET 1 -7.850 -2.285 13.772 3 H3 MET 1 3HT MET 1 -9.477 -1.992 13.413 4 HA MET 1 HA MET 1 -9.318 0.241 14.254 5 HB2 MET 1 2HB MET 1 -6.396 -0.422 14.669 6 HB3 MET 1 1HB MET 1 -7.142 1.150 14.922 7 HG2 MET 1 2HG MET 1 -8.493 0.243 16.722 8 HG3 MET 1 1HG MET 1 -7.808 -1.358 16.447 9 HE1 MET 1 2HE MET 1 -7.134 -1.610 18.950 10 HE2 MET 1 3HE MET 1 -7.808 -0.027 19.336 11 HE3 MET 1 1HE MET 1 -6.172 -0.438 19.850 12 H GLU 2 H GLU 2 -8.211 2.054 13.036 13 HA GLU 2 HA GLU 2 -8.269 1.492 10.277 14 HB2 GLU 2 2HB GLU 2 -7.567 3.818 9.976 15 HB3 GLU 2 1HB GLU 2 -8.845 3.688 11.177 16 HG2 GLU 2 2HG GLU 2 -7.121 3.810 12.952 17 HG3 GLU 2 1HG GLU 2 -5.907 4.077 11.700 18 H SER 3 H SER 3 -5.685 1.605 12.602 19 HA SER 3 HA SER 3 -3.512 1.852 10.821 20 HB2 SER 3 2HB SER 3 -3.645 0.546 13.550 21 HB3 SER 3 1HB SER 3 -2.157 0.946 12.693 22 HG SER 3 HG SER 3 -2.408 2.982 13.200 23 H GLU 4 H GLU 4 -5.431 -0.882 11.852 24 HA GLU 4 HA GLU 4 -3.655 -2.889 10.865 25 HB2 GLU 4 2HB GLU 4 -6.607 -3.025 11.503 26 HB3 GLU 4 1HB GLU 4 -5.580 -4.414 11.173 27 HG2 GLU 4 2HG GLU 4 -5.268 -2.497 13.472 28 HG3 GLU 4 1HG GLU 4 -5.957 -4.118 13.557 29 H TYR 5 H TYR 5 -6.278 -1.022 9.504 30 HA TYR 5 HA TYR 5 -6.586 -2.669 7.177 31 HB2 TYR 5 2HB TYR 5 -8.460 -1.344 7.993 32 HB3 TYR 5 1HB TYR 5 -7.545 0.140 7.753 33 HD1 TYR 5 1HD TYR 5 -8.331 -2.865 5.656 34 HD2 TYR 5 2HD TYR 5 -8.304 1.378 5.971 35 HE1 TYR 5 1HE TYR 5 -9.218 -2.696 3.370 36 HE2 TYR 5 2HE TYR 5 -9.190 1.559 3.685 37 HH TYR 5 HH TYR 5 -10.490 -1.066 2.003 38 H ARG 6 H ARG 6 -4.846 0.314 7.934 39 HA ARG 6 HA ARG 6 -4.027 0.765 5.225 40 HB2 ARG 6 2HB ARG 6 -2.597 2.518 6.159 41 HB3 ARG 6 1HB ARG 6 -4.231 2.622 6.804 42 HG2 ARG 6 2HG ARG 6 -3.496 1.543 8.862 43 HG3 ARG 6 1HG ARG 6 -1.860 1.412 8.215 44 HD2 ARG 6 2HD ARG 6 -1.776 3.874 8.035 45 HD3 ARG 6 1HD ARG 6 -3.373 3.961 8.775 46 HE ARG 6 HE ARG 6 -1.717 2.490 10.472 47 HH11 ARG 6 1HH1 ARG 6 -2.026 5.742 9.260 48 HH12 ARG 6 2HH1 ARG 6 -1.307 6.469 10.657 49 HH21 ARG 6 1HH2 ARG 6 -0.769 3.439 12.317 50 HH22 ARG 6 2HH2 ARG 6 -0.589 5.161 12.392 51 H GLU 7 H GLU 7 -2.643 -0.829 8.030 52 HA GLU 7 HA GLU 7 -0.024 -1.108 6.946 53 HB2 GLU 7 2HB GLU 7 -0.468 -1.182 9.360 54 HB3 GLU 7 1HB GLU 7 -1.380 -2.670 9.150 55 HG2 GLU 7 2HG GLU 7 0.643 -3.792 8.358 56 HG3 GLU 7 1HG GLU 7 1.554 -2.300 8.588 57 H MET 8 H MET 8 -2.710 -3.422 7.341 58 HA MET 8 HA MET 8 -1.421 -5.574 6.065 59 HB2 MET 8 2HB MET 8 -3.358 -5.875 7.525 60 HB3 MET 8 1HB MET 8 -4.376 -5.020 6.374 61 HG2 MET 8 2HG MET 8 -4.678 -7.434 6.238 62 HG3 MET 8 1HG MET 8 -4.042 -6.769 4.734 63 HE1 MET 8 3HE MET 8 -2.367 -10.296 4.839 64 HE2 MET 8 1HE MET 8 -3.393 -9.189 3.928 65 HE3 MET 8 2HE MET 8 -3.982 -9.904 5.428 66 H LEU 9 H LEU 9 -3.648 -3.116 4.812 67 HA LEU 9 HA LEU 9 -3.995 -4.154 2.250 68 HB2 LEU 9 2HB LEU 9 -5.272 -2.277 3.317 69 HB3 LEU 9 1HB LEU 9 -3.907 -1.231 2.991 70 HG LEU 9 HG LEU 9 -5.922 -1.157 1.400 71 HD11 LEU 9 1HD1 LEU 9 -4.542 -0.602 -0.467 72 HD12 LEU 9 2HD1 LEU 9 -3.212 -1.572 0.161 73 HD13 LEU 9 3HD1 LEU 9 -3.707 -0.106 1.005 74 HD21 LEU 9 3HD2 LEU 9 -6.190 -3.559 1.102 75 HD22 LEU 9 1HD2 LEU 9 -4.587 -3.658 0.373 76 HD23 LEU 9 2HD2 LEU 9 -5.871 -2.762 -0.438 77 H LEU 10 H LEU 10 -1.345 -2.309 3.602 78 HA LEU 10 HA LEU 10 -0.140 -1.823 1.021 79 HB2 LEU 10 2HB LEU 10 0.833 -1.331 3.829 80 HB3 LEU 10 1HB LEU 10 1.752 -0.919 2.394 81 HG LEU 10 HG LEU 10 -0.987 0.193 2.997 82 HD11 LEU 10 1HD1 LEU 10 0.597 0.888 4.715 83 HD12 LEU 10 2HD1 LEU 10 0.166 2.237 3.664 84 HD13 LEU 10 3HD1 LEU 10 1.722 1.429 3.470 85 HD21 LEU 10 3HD2 LEU 10 -0.365 0.195 0.632 86 HD22 LEU 10 1HD2 LEU 10 1.141 1.024 1.025 87 HD23 LEU 10 2HD2 LEU 10 -0.403 1.833 1.285 88 H LEU 11 H LEU 11 0.975 -3.569 3.936 89 HA LEU 11 HA LEU 11 3.197 -4.749 2.761 90 HB2 LEU 11 2HB LEU 11 3.296 -6.206 4.641 91 HB3 LEU 11 1HB LEU 11 2.768 -4.629 5.185 92 HG LEU 11 HG LEU 11 0.368 -5.684 4.975 93 HD11 LEU 11 1HD1 LEU 11 0.993 -7.783 3.983 94 HD12 LEU 11 2HD1 LEU 11 0.411 -8.080 5.620 95 HD13 LEU 11 3HD1 LEU 11 2.142 -8.101 5.282 96 HD21 LEU 11 3HD2 LEU 11 0.513 -6.355 7.317 97 HD22 LEU 11 1HD2 LEU 11 1.384 -4.850 7.030 98 HD23 LEU 11 2HD2 LEU 11 2.273 -6.362 7.209 99 H THR 12 H THR 12 -0.147 -5.690 2.489 100 HA THR 12 HA THR 12 0.241 -8.394 1.790 101 HB THR 12 HB THR 12 -1.984 -7.459 2.350 102 HG1 THR 12 1HG THR 12 -2.897 -8.968 1.138 103 HG21 THR 12 3HG2 THR 12 -1.789 -5.347 1.116 104 HG22 THR 12 1HG2 THR 12 -3.247 -6.231 0.667 105 HG23 THR 12 2HG2 THR 12 -1.847 -6.233 -0.406 106 H GLY 13 H GLY 13 1.321 -5.677 0.237 107 HA2 GLY 13 2HA GLY 13 1.374 -7.066 -2.370 108 HA3 GLY 13 1HA GLY 13 1.289 -5.318 -2.214 109 H LEU 14 H LEU 14 3.193 -4.963 -0.169 110 HA LEU 14 HA LEU 14 5.561 -4.810 -1.645 111 HB2 LEU 14 2HB LEU 14 4.972 -4.626 1.294 112 HB3 LEU 14 1HB LEU 14 6.618 -4.538 0.705 113 HG LEU 14 HG LEU 14 5.783 -2.310 1.080 114 HD11 LEU 14 1HD1 LEU 14 6.115 -1.331 -1.134 115 HD12 LEU 14 2HD1 LEU 14 5.921 -2.923 -1.869 116 HD13 LEU 14 3HD1 LEU 14 7.289 -2.604 -0.804 117 HD21 LEU 14 3HD2 LEU 14 3.402 -2.744 0.907 118 HD22 LEU 14 1HD2 LEU 14 3.560 -3.036 -0.826 119 HD23 LEU 14 2HD2 LEU 14 3.866 -1.428 -0.171 120 H ASP 15 H ASP 15 4.591 -7.137 0.858 121 HA ASP 15 HA ASP 15 7.013 -8.671 0.552 122 HB2 ASP 15 2HB ASP 15 5.805 -8.415 2.731 123 HB3 ASP 15 1HB ASP 15 4.503 -9.399 2.073 124 H HIS 16 H HIS 16 4.648 -8.349 -1.542 125 HA HIS 16 HA HIS 16 4.710 -11.188 -2.315 126 HB2 HIS 16 2HB HIS 16 2.350 -9.310 -2.392 127 HB3 HIS 16 1HB HIS 16 2.396 -10.833 -3.274 128 HD1 HIS 16 1HD HIS 16 1.761 -9.425 0.083 129 HD2 HIS 16 2HD HIS 16 2.464 -13.149 -1.616 130 HE1 HIS 16 1HE HIS 16 1.075 -11.135 1.814 131 H ILE 17 H ILE 17 6.266 -8.743 -3.145 132 HA ILE 17 HA ILE 17 5.816 -9.066 -6.030 133 HB ILE 17 HB ILE 17 6.405 -6.672 -6.370 134 HG12 ILE 17 2HG1 ILE 17 5.909 -6.454 -3.392 135 HG13 ILE 17 1HG1 ILE 17 7.488 -6.329 -4.160 136 HG21 ILE 17 1HG2 ILE 17 3.914 -7.240 -4.772 137 HG22 ILE 17 2HG2 ILE 17 4.105 -7.393 -6.517 138 HG23 ILE 17 3HG2 ILE 17 4.180 -5.803 -5.758 139 HD11 ILE 17 3HD1 ILE 17 6.580 -4.142 -3.611 140 HD12 ILE 17 1HD1 ILE 17 5.163 -4.471 -4.608 141 HD13 ILE 17 2HD1 ILE 17 6.756 -4.340 -5.355 142 H THR 18 H THR 18 7.668 -8.736 -7.352 143 HA THR 18 HA THR 18 10.068 -9.743 -6.232 144 HB THR 18 HB THR 18 11.061 -9.307 -8.465 145 HG1 THR 18 1HG THR 18 9.585 -8.480 -10.082 146 HG21 THR 18 3HG2 THR 18 9.825 -11.378 -8.070 147 HG22 THR 18 1HG2 THR 18 9.599 -10.819 -9.728 148 HG23 THR 18 2HG2 THR 18 8.322 -10.580 -8.535 149 H GLU 19 H GLU 19 12.215 -8.654 -6.562 150 HA GLU 19 HA GLU 19 12.253 -6.206 -5.131 151 HB2 GLU 19 2HB GLU 19 14.389 -7.794 -6.539 152 HB3 GLU 19 1HB GLU 19 14.738 -6.276 -5.725 153 HG2 GLU 19 2HG GLU 19 15.262 -8.142 -4.287 154 HG3 GLU 19 1HG GLU 19 13.916 -7.218 -3.624 155 H GLU 20 H GLU 20 12.537 -7.020 -8.541 156 HA GLU 20 HA GLU 20 13.490 -4.538 -9.455 157 HB2 GLU 20 2HB GLU 20 12.584 -5.235 -11.662 158 HB3 GLU 20 1HB GLU 20 13.575 -6.468 -10.896 159 HG2 GLU 20 2HG GLU 20 11.529 -7.611 -10.149 160 HG3 GLU 20 1HG GLU 20 10.568 -6.396 -10.991 161 H GLU 21 H GLU 21 10.180 -5.771 -9.095 162 HA GLU 21 HA GLU 21 8.985 -3.319 -9.997 163 HB2 GLU 21 2HB GLU 21 7.703 -5.611 -8.497 164 HB3 GLU 21 1HB GLU 21 6.871 -4.358 -9.407 165 HG2 GLU 21 2HG GLU 21 8.702 -6.459 -10.546 166 HG3 GLU 21 1HG GLU 21 6.942 -6.438 -10.647 167 H LEU 22 H LEU 22 9.980 -4.675 -6.969 168 HA LEU 22 HA LEU 22 8.464 -3.273 -5.133 169 HB2 LEU 22 2HB LEU 22 10.066 -5.072 -4.593 170 HB3 LEU 22 1HB LEU 22 11.391 -3.978 -4.935 171 HG LEU 22 HG LEU 22 10.579 -2.518 -3.067 172 HD11 LEU 22 1HD1 LEU 22 8.788 -4.879 -2.514 173 HD12 LEU 22 2HD1 LEU 22 8.268 -3.265 -3.000 174 HD13 LEU 22 3HD1 LEU 22 9.045 -3.505 -1.436 175 HD21 LEU 22 3HD2 LEU 22 12.437 -4.047 -2.749 176 HD22 LEU 22 1HD2 LEU 22 11.319 -5.360 -2.381 177 HD23 LEU 22 2HD2 LEU 22 11.445 -3.978 -1.292 178 H LYS 23 H LYS 23 11.490 -2.266 -6.703 179 HA LYS 23 HA LYS 23 11.584 0.260 -5.373 180 HB2 LYS 23 2HB LYS 23 13.002 -0.606 -7.896 181 HB3 LYS 23 1HB LYS 23 13.423 0.770 -6.888 182 HG2 LYS 23 2HG LYS 23 13.976 -0.736 -5.050 183 HG3 LYS 23 1HG LYS 23 13.538 -2.121 -6.052 184 HD2 LYS 23 2HD LYS 23 15.707 -0.133 -6.726 185 HD3 LYS 23 1HD LYS 23 15.985 -1.696 -5.958 186 HE2 LYS 23 2HE LYS 23 15.015 -2.821 -7.907 187 HE3 LYS 23 1HE LYS 23 14.742 -1.257 -8.674 188 HZ1 LYS 23 3HZ LYS 23 17.138 -0.882 -8.647 189 HZ2 LYS 23 1HZ LYS 23 16.750 -2.288 -9.507 190 HZ3 LYS 23 2HZ LYS 23 17.385 -2.401 -7.944 191 H ARG 24 H ARG 24 10.308 -0.887 -8.433 192 HA ARG 24 HA ARG 24 9.949 1.565 -9.724 193 HB2 ARG 24 2HB ARG 24 8.397 -1.014 -9.923 194 HB3 ARG 24 1HB ARG 24 8.133 0.358 -10.991 195 HG2 ARG 24 2HG ARG 24 10.457 0.208 -11.747 196 HG3 ARG 24 1HG ARG 24 10.705 -1.181 -10.688 197 HD2 ARG 24 2HD ARG 24 9.018 -2.436 -11.909 198 HD3 ARG 24 1HD ARG 24 8.699 -1.040 -12.938 199 HE ARG 24 HE ARG 24 11.428 -1.702 -13.088 200 HH11 ARG 24 1HH1 ARG 24 8.306 -2.906 -14.064 201 HH12 ARG 24 2HH1 ARG 24 8.920 -3.740 -15.452 202 HH21 ARG 24 1HH2 ARG 24 12.242 -2.795 -14.914 203 HH22 ARG 24 2HH2 ARG 24 11.157 -3.679 -15.933 204 H PHE 25 H PHE 25 7.910 -0.116 -7.384 205 HA PHE 25 HA PHE 25 5.627 1.496 -7.647 206 HB2 PHE 25 2HB PHE 25 5.618 -0.655 -6.456 207 HB3 PHE 25 1HB PHE 25 6.625 0.040 -5.190 208 HD1 PHE 25 1HD PHE 25 3.446 0.902 -6.959 209 HD2 PHE 25 2HD PHE 25 5.534 0.603 -3.261 210 HE1 PHE 25 1HE PHE 25 1.428 1.644 -5.762 211 HE2 PHE 25 2HE PHE 25 3.519 1.343 -2.058 212 HZ PHE 25 HZ PHE 25 1.463 1.864 -3.310 213 H LYS 26 H LYS 26 8.305 1.721 -5.298 214 HA LYS 26 HA LYS 26 7.388 4.050 -4.023 215 HB2 LYS 26 2HB LYS 26 10.132 2.838 -4.301 216 HB3 LYS 26 1HB LYS 26 9.852 4.312 -3.386 217 HG2 LYS 26 2HG LYS 26 8.220 3.057 -1.988 218 HG3 LYS 26 1HG LYS 26 8.704 1.588 -2.839 219 HD2 LYS 26 2HD LYS 26 10.964 1.808 -2.048 220 HD3 LYS 26 1HD LYS 26 10.606 3.383 -1.339 221 HE2 LYS 26 2HE LYS 26 9.460 0.725 -0.494 222 HE3 LYS 26 1HE LYS 26 10.650 1.682 0.387 223 HZ1 LYS 26 3HZ LYS 26 8.440 1.976 1.299 224 HZ2 LYS 26 1HZ LYS 26 7.859 2.503 -0.200 225 HZ3 LYS 26 2HZ LYS 26 8.997 3.429 0.638 226 H TYR 27 H TYR 27 9.205 3.560 -6.956 227 HA TYR 27 HA TYR 27 10.205 6.187 -7.247 228 HB2 TYR 27 2HB TYR 27 11.086 4.238 -8.486 229 HB3 TYR 27 1HB TYR 27 9.577 4.142 -9.387 230 HD1 TYR 27 2HD TYR 27 12.634 6.132 -8.856 231 HD2 TYR 27 1HD TYR 27 9.136 5.613 -11.222 232 HE1 TYR 27 2HE TYR 27 13.547 7.679 -10.535 233 HE2 TYR 27 1HE TYR 27 10.040 7.156 -12.909 234 HH TYR 27 HH TYR 27 13.272 8.145 -12.951 235 H PHE 28 H PHE 28 7.267 4.611 -8.465 236 HA PHE 28 HA PHE 28 6.391 6.979 -9.842 237 HB2 PHE 28 2HB PHE 28 5.905 4.496 -10.419 238 HB3 PHE 28 1HB PHE 28 4.628 4.632 -9.216 239 HD1 PHE 28 1HD PHE 28 5.884 6.035 -12.394 240 HD2 PHE 28 2HD PHE 28 2.584 5.664 -9.735 241 HE1 PHE 28 1HE PHE 28 4.405 7.020 -14.098 242 HE2 PHE 28 2HE PHE 28 1.098 6.647 -11.433 243 HZ PHE 28 HZ PHE 28 2.010 7.326 -13.618 244 H ALA 29 H ALA 29 5.136 5.140 -7.055 245 HA ALA 29 HA ALA 29 3.114 6.965 -6.380 246 HB1 ALA 29 1HB ALA 29 3.102 4.683 -5.566 247 HB2 ALA 29 2HB ALA 29 3.055 5.814 -4.212 248 HB3 ALA 29 3HB ALA 29 4.560 4.991 -4.622 249 H LEU 30 H LEU 30 6.361 6.543 -4.955 250 HA LEU 30 HA LEU 30 6.024 9.080 -3.538 251 HB2 LEU 30 2HB LEU 30 8.342 7.173 -3.320 252 HB3 LEU 30 1HB LEU 30 7.872 8.429 -2.189 253 HG LEU 30 HG LEU 30 6.030 6.131 -2.752 254 HD11 LEU 30 1HD1 LEU 30 8.194 5.152 -2.171 255 HD12 LEU 30 2HD1 LEU 30 7.005 4.914 -0.889 256 HD13 LEU 30 3HD1 LEU 30 8.252 6.148 -0.718 257 HD21 LEU 30 3HD2 LEU 30 6.452 7.934 -0.371 258 HD22 LEU 30 1HD2 LEU 30 5.267 6.631 -0.475 259 HD23 LEU 30 2HD2 LEU 30 5.134 8.032 -1.538 260 H THR 31 H THR 31 6.282 10.561 -5.214 261 HA THR 31 HA THR 31 8.748 10.494 -6.767 262 HB THR 31 HB THR 31 7.810 12.374 -8.020 263 HG1 THR 31 1HG THR 31 5.418 12.714 -7.351 264 HG21 THR 31 3HG2 THR 31 5.839 11.228 -8.962 265 HG22 THR 31 1HG2 THR 31 5.844 10.122 -7.589 266 HG23 THR 31 2HG2 THR 31 7.197 10.128 -8.720 267 H GLU 32 H GLU 32 7.037 12.734 -4.598 268 HA GLU 32 HA GLU 32 9.459 14.348 -4.351 269 HB2 GLU 32 2HB GLU 32 6.650 14.830 -3.353 270 HB3 GLU 32 1HB GLU 32 7.994 15.946 -3.153 271 HG2 GLU 32 2HG GLU 32 8.182 16.129 -5.595 272 HG3 GLU 32 1HG GLU 32 6.794 15.054 -5.765 273 H PHE 33 H PHE 33 7.852 11.854 -2.699 274 HA PHE 33 HA PHE 33 8.608 12.656 -0.040 275 HB2 PHE 33 2HB PHE 33 7.722 9.944 -1.049 276 HB3 PHE 33 1HB PHE 33 7.805 10.448 0.637 277 HD1 PHE 33 1HD PHE 33 6.275 12.261 1.441 278 HD2 PHE 33 2HD PHE 33 5.843 10.425 -2.374 279 HE1 PHE 33 1HE PHE 33 3.963 13.089 1.309 280 HE2 PHE 33 2HE PHE 33 3.530 11.252 -2.513 281 HZ PHE 33 HZ PHE 33 2.587 12.586 -0.671 282 H GLN 34 H GLN 34 10.058 10.885 -2.628 283 HA GLN 34 HA GLN 34 11.983 9.664 -2.818 284 HB2 GLN 34 2HB GLN 34 12.870 11.989 -1.111 285 HB3 GLN 34 1HB GLN 34 13.969 10.902 -1.948 286 HG2 GLN 34 2HG GLN 34 11.906 12.669 -3.245 287 HG3 GLN 34 1HG GLN 34 13.643 12.968 -3.186 288 HE21 GLN 34 1HE2 GLN 34 15.018 11.746 -4.466 289 HE22 GLN 34 2HE2 GLN 34 14.447 10.785 -5.783 290 H ILE 35 H ILE 35 10.885 7.975 -1.358 291 HA ILE 35 HA ILE 35 11.874 7.740 1.323 292 HB ILE 35 HB ILE 35 10.175 6.070 -0.461 293 HG12 ILE 35 2HG1 ILE 35 8.772 5.996 1.595 294 HG13 ILE 35 1HG1 ILE 35 10.001 6.932 2.435 295 HG21 ILE 35 1HG2 ILE 35 11.691 4.368 0.217 296 HG22 ILE 35 2HG2 ILE 35 10.247 4.204 1.216 297 HG23 ILE 35 3HG2 ILE 35 11.699 4.951 1.882 298 HD11 ILE 35 3HD1 ILE 35 9.559 8.848 1.171 299 HD12 ILE 35 1HD1 ILE 35 7.973 8.178 1.556 300 HD13 ILE 35 2HD1 ILE 35 8.667 7.943 -0.050 301 H ALA 36 H ALA 36 13.573 6.571 2.090 302 HA ALA 36 HA ALA 36 15.715 5.985 0.330 303 HB1 ALA 36 1HB ALA 36 15.376 5.214 3.225 304 HB2 ALA 36 2HB ALA 36 16.064 6.726 2.634 305 HB3 ALA 36 3HB ALA 36 16.886 5.199 2.315 306 H ARG 37 H ARG 37 16.545 4.067 -0.393 307 HA ARG 37 HA ARG 37 14.748 1.922 -0.813 308 HB2 ARG 37 2HB ARG 37 16.653 0.791 -1.861 309 HB3 ARG 37 1HB ARG 37 16.534 2.461 -2.397 310 HG2 ARG 37 2HG ARG 37 18.339 3.114 -0.959 311 HG3 ARG 37 1HG ARG 37 18.388 1.510 -0.227 312 HD2 ARG 37 2HD ARG 37 18.992 2.170 -3.107 313 HD3 ARG 37 1HD ARG 37 20.176 1.788 -1.859 314 HE ARG 37 HE ARG 37 18.276 -0.298 -2.102 315 HH11 ARG 37 1HH1 ARG 37 21.046 1.099 -3.690 316 HH12 ARG 37 2HH1 ARG 37 21.523 -0.385 -4.446 317 HH21 ARG 37 1HH2 ARG 37 18.896 -2.255 -3.093 318 HH22 ARG 37 2HH2 ARG 37 20.298 -2.292 -4.108 319 H SER 38 H SER 38 17.280 2.509 1.527 320 HA SER 38 HA SER 38 17.672 -0.088 2.472 321 HB2 SER 38 2HB SER 38 18.531 0.994 4.523 322 HB3 SER 38 1HB SER 38 19.159 1.754 3.060 323 HG SER 38 HG SER 38 18.166 3.062 4.939 324 H THR 39 H THR 39 15.092 2.174 3.070 325 HA THR 39 HA THR 39 14.089 1.035 5.455 326 HB THR 39 HB THR 39 12.074 2.302 5.067 327 HG1 THR 39 1HG THR 39 12.684 1.909 2.491 328 HG21 THR 39 3HG2 THR 39 14.038 3.557 5.800 329 HG22 THR 39 1HG2 THR 39 13.019 4.545 4.753 330 HG23 THR 39 2HG2 THR 39 14.502 3.829 4.121 331 H LEU 40 H LEU 40 13.967 -0.055 2.216 332 HA LEU 40 HA LEU 40 11.536 -1.326 1.989 333 HB2 LEU 40 2HB LEU 40 14.262 -2.115 1.000 334 HB3 LEU 40 1HB LEU 40 12.829 -3.045 0.605 335 HG LEU 40 HG LEU 40 13.177 -0.119 -0.053 336 HD11 LEU 40 1HD1 LEU 40 14.805 -1.433 -1.280 337 HD12 LEU 40 2HD1 LEU 40 13.526 -0.879 -2.361 338 HD13 LEU 40 3HD1 LEU 40 13.543 -2.550 -1.797 339 HD21 LEU 40 3HD2 LEU 40 11.269 -0.546 -1.561 340 HD22 LEU 40 1HD2 LEU 40 10.860 -0.768 0.139 341 HD23 LEU 40 2HD2 LEU 40 11.134 -2.171 -0.892 342 H ASP 41 H ASP 41 14.005 -2.042 4.235 343 HA ASP 41 HA ASP 41 13.679 -4.797 4.596 344 HB2 ASP 41 2HB ASP 41 15.513 -3.504 5.604 345 HB3 ASP 41 1HB ASP 41 14.362 -2.706 6.672 346 H VAL 42 H VAL 42 11.872 -2.071 5.931 347 HA VAL 42 HA VAL 42 9.744 -3.921 6.716 348 HB VAL 42 HB VAL 42 9.464 -2.474 8.834 349 HG11 VAL 42 1HG1 VAL 42 10.951 -3.963 10.105 350 HG12 VAL 42 2HG1 VAL 42 11.739 -4.448 8.605 351 HG13 VAL 42 3HG1 VAL 42 10.042 -4.841 8.877 352 HG21 VAL 42 3HG2 VAL 42 11.565 -1.602 9.753 353 HG22 VAL 42 1HG2 VAL 42 11.094 -0.771 8.270 354 HG23 VAL 42 2HG2 VAL 42 12.377 -1.981 8.232 355 H ALA 43 H ALA 43 10.399 -1.569 4.783 356 HA ALA 43 HA ALA 43 8.862 0.637 5.373 357 HB1 ALA 43 1HB ALA 43 8.689 1.032 2.968 358 HB2 ALA 43 2HB ALA 43 9.313 -0.593 2.675 359 HB3 ALA 43 3HB ALA 43 10.329 0.613 3.466 360 H ASP 44 H ASP 44 7.789 -2.496 4.346 361 HA ASP 44 HA ASP 44 5.291 -1.774 3.326 362 HB2 ASP 44 2HB ASP 44 4.603 -4.100 3.902 363 HB3 ASP 44 1HB ASP 44 6.118 -4.007 3.012 364 H ARG 45 H ARG 45 6.080 -2.815 6.679 365 HA ARG 45 HA ARG 45 3.414 -2.111 7.508 366 HB2 ARG 45 2HB ARG 45 4.205 -2.786 9.780 367 HB3 ARG 45 1HB ARG 45 4.322 -4.028 8.543 368 HG2 ARG 45 2HG ARG 45 6.738 -3.461 8.304 369 HG3 ARG 45 1HG ARG 45 6.563 -2.381 9.689 370 HD2 ARG 45 2HD ARG 45 6.088 -5.357 9.652 371 HD3 ARG 45 1HD ARG 45 7.433 -4.515 10.422 372 HE ARG 45 HE ARG 45 4.989 -3.546 11.442 373 HH11 ARG 45 1HH1 ARG 45 7.047 -6.359 11.554 374 HH12 ARG 45 2HH1 ARG 45 6.515 -6.842 13.130 375 HH21 ARG 45 1HH2 ARG 45 4.286 -4.175 13.514 376 HH22 ARG 45 2HH2 ARG 45 4.946 -5.600 14.244 377 H THR 46 H THR 46 6.617 -0.943 8.604 378 HA THR 46 HA THR 46 5.375 1.209 10.055 379 HB THR 46 HB THR 46 7.168 0.219 11.171 380 HG1 THR 46 1HG THR 46 7.563 2.238 11.705 381 HG21 THR 46 3HG2 THR 46 8.871 0.758 8.735 382 HG22 THR 46 1HG2 THR 46 8.286 -0.820 9.262 383 HG23 THR 46 2HG2 THR 46 9.438 0.071 10.258 384 H GLU 47 H GLU 47 7.832 1.242 7.436 385 HA GLU 47 HA GLU 47 7.979 4.063 7.406 386 HB2 GLU 47 2HB GLU 47 9.412 1.966 6.316 387 HB3 GLU 47 1HB GLU 47 8.784 2.829 4.913 388 HG2 GLU 47 2HG GLU 47 10.967 3.672 5.521 389 HG3 GLU 47 1HG GLU 47 9.737 4.912 5.752 390 H LEU 48 H LEU 48 6.608 1.964 4.844 391 HA LEU 48 HA LEU 48 5.632 4.060 3.293 392 HB2 LEU 48 2HB LEU 48 4.957 1.162 3.498 393 HB3 LEU 48 1HB LEU 48 3.914 2.206 2.555 394 HG LEU 48 HG LEU 48 6.881 1.928 2.081 395 HD11 LEU 48 1HD1 LEU 48 4.569 0.624 0.649 396 HD12 LEU 48 2HD1 LEU 48 5.768 -0.191 1.653 397 HD13 LEU 48 3HD1 LEU 48 6.258 0.571 0.140 398 HD21 LEU 48 3HD2 LEU 48 5.967 4.039 1.317 399 HD22 LEU 48 1HD2 LEU 48 4.669 3.197 0.472 400 HD23 LEU 48 2HD2 LEU 48 6.338 3.006 -0.063 401 H ALA 49 H ALA 49 3.916 2.086 5.686 402 HA ALA 49 HA ALA 49 1.395 3.192 5.422 403 HB1 ALA 49 1HB ALA 49 2.663 2.262 7.992 404 HB2 ALA 49 2HB ALA 49 1.901 1.222 6.788 405 HB3 ALA 49 3HB ALA 49 0.936 2.408 7.666 406 H ASP 50 H ASP 50 3.888 4.244 7.759 407 HA ASP 50 HA ASP 50 2.360 6.429 8.710 408 HB2 ASP 50 2HB ASP 50 5.286 5.750 8.922 409 HB3 ASP 50 1HB ASP 50 4.593 7.189 9.662 410 H HIS 51 H HIS 51 4.729 6.159 6.118 411 HA HIS 51 HA HIS 51 5.091 8.979 5.830 412 HB2 HIS 51 2HB HIS 51 5.963 6.564 4.331 413 HB3 HIS 51 1HB HIS 51 6.035 8.122 3.513 414 HD1 HIS 51 1HD HIS 51 8.008 5.994 5.656 415 HD2 HIS 51 2HD HIS 51 7.557 10.087 5.117 416 HE1 HIS 51 1HE HIS 51 10.057 7.073 6.673 417 H LEU 52 H LEU 52 3.489 6.621 3.654 418 HA LEU 52 HA LEU 52 2.539 8.626 1.918 419 HB2 LEU 52 2HB LEU 52 1.277 6.912 0.821 420 HB3 LEU 52 1HB LEU 52 2.867 6.300 1.232 421 HG LEU 52 HG LEU 52 1.495 5.426 3.375 422 HD11 LEU 52 1HD1 LEU 52 -0.488 5.435 1.105 423 HD12 LEU 52 2HD1 LEU 52 -0.631 6.322 2.623 424 HD13 LEU 52 3HD1 LEU 52 -0.669 4.559 2.624 425 HD21 LEU 52 3HD2 LEU 52 1.373 3.263 2.230 426 HD22 LEU 52 1HD2 LEU 52 2.908 4.075 1.924 427 HD23 LEU 52 2HD2 LEU 52 1.651 4.068 0.686 428 H ILE 53 H ILE 53 1.026 7.105 4.739 429 HA ILE 53 HA ILE 53 -1.600 7.963 4.239 430 HB ILE 53 HB ILE 53 -0.178 7.334 6.815 431 HG12 ILE 53 2HG1 ILE 53 -0.622 5.352 5.608 432 HG13 ILE 53 1HG1 ILE 53 -1.922 5.460 6.790 433 HG21 ILE 53 1HG2 ILE 53 -2.379 7.412 7.939 434 HG22 ILE 53 2HG2 ILE 53 -3.061 8.142 6.488 435 HG23 ILE 53 3HG2 ILE 53 -1.817 8.994 7.401 436 HD11 ILE 53 3HD1 ILE 53 -3.335 6.463 4.973 437 HD12 ILE 53 1HD1 ILE 53 -2.889 4.772 4.754 438 HD13 ILE 53 2HD1 ILE 53 -2.053 6.030 3.847 439 H GLN 54 H GLN 54 1.057 9.589 5.930 440 HA GLN 54 HA GLN 54 -0.364 11.778 6.902 441 HB2 GLN 54 2HB GLN 54 2.510 11.497 6.047 442 HB3 GLN 54 1HB GLN 54 1.878 12.979 6.750 443 HG2 GLN 54 2HG GLN 54 1.866 10.272 8.067 444 HG3 GLN 54 1HG GLN 54 3.000 11.578 8.405 445 HE21 GLN 54 1HE2 GLN 54 -0.268 10.451 8.755 446 HE22 GLN 54 2HE2 GLN 54 -0.753 11.599 9.951 447 H SER 55 H SER 55 0.669 11.050 3.677 448 HA SER 55 HA SER 55 0.762 13.580 2.531 449 HB2 SER 55 2HB SER 55 1.477 11.567 1.345 450 HB3 SER 55 1HB SER 55 -0.191 10.996 1.283 451 HG SER 55 HG SER 55 -0.685 12.538 -0.165 452 H ALA 56 H ALA 56 -2.060 11.361 2.534 453 HA ALA 56 HA ALA 56 -3.763 13.756 2.282 454 HB1 ALA 56 1HB ALA 56 -4.267 11.062 1.031 455 HB2 ALA 56 2HB ALA 56 -3.689 12.496 0.184 456 HB3 ALA 56 3HB ALA 56 -5.301 12.484 0.900 457 H GLY 57 H GLY 57 -3.443 10.512 3.623 458 HA2 GLY 57 2HA GLY 57 -4.516 10.834 6.049 459 HA3 GLY 57 1HA GLY 57 -5.965 10.752 5.059 460 H ALA 58 H ALA 58 -5.899 8.892 6.882 461 HA ALA 58 HA ALA 58 -4.439 6.553 6.266 462 HB1 ALA 58 1HB ALA 58 -5.890 5.435 7.857 463 HB2 ALA 58 2HB ALA 58 -6.992 6.813 7.844 464 HB3 ALA 58 3HB ALA 58 -5.359 6.995 8.488 465 H ALA 59 H ALA 59 -7.982 6.934 6.074 466 HA ALA 59 HA ALA 59 -8.294 4.715 4.344 467 HB1 ALA 59 1HB ALA 59 -10.050 5.511 5.867 468 HB2 ALA 59 2HB ALA 59 -10.619 5.371 4.203 469 HB3 ALA 59 3HB ALA 59 -10.237 6.957 4.875 470 H SER 60 H SER 60 -7.906 8.150 3.758 471 HA SER 60 HA SER 60 -8.801 8.197 1.087 472 HB2 SER 60 2HB SER 60 -6.797 9.987 2.475 473 HB3 SER 60 1HB SER 60 -7.562 10.330 0.924 474 HG SER 60 HG SER 60 -9.259 9.723 3.034 475 H ALA 61 H ALA 61 -5.491 7.939 2.396 476 HA ALA 61 HA ALA 61 -4.287 7.701 -0.170 477 HB1 ALA 61 1HB ALA 61 -3.085 8.550 1.788 478 HB2 ALA 61 2HB ALA 61 -2.245 7.200 1.026 479 HB3 ALA 61 3HB ALA 61 -3.154 6.946 2.514 480 H VAL 62 H VAL 62 -5.316 5.334 2.248 481 HA VAL 62 HA VAL 62 -4.086 3.076 1.170 482 HB VAL 62 HB VAL 62 -6.620 3.370 2.773 483 HG11 VAL 62 1HG1 VAL 62 -6.451 0.912 3.167 484 HG12 VAL 62 2HG1 VAL 62 -5.263 0.835 1.867 485 HG13 VAL 62 3HG1 VAL 62 -6.915 1.345 1.523 486 HG21 VAL 62 3HG2 VAL 62 -4.448 3.920 3.834 487 HG22 VAL 62 1HG2 VAL 62 -3.907 2.275 3.506 488 HG23 VAL 62 2HG2 VAL 62 -5.267 2.555 4.594 489 H THR 63 H THR 63 -7.098 4.661 0.252 490 HA THR 63 HA THR 63 -8.009 2.556 -1.439 491 HB THR 63 HB THR 63 -9.541 4.292 -2.397 492 HG1 THR 63 1HG THR 63 -9.370 6.230 -0.716 493 HG21 THR 63 3HG2 THR 63 -10.196 2.936 -0.467 494 HG22 THR 63 1HG2 THR 63 -10.861 4.566 -0.354 495 HG23 THR 63 2HG2 THR 63 -9.458 4.114 0.616 496 H LYS 64 H LYS 64 -6.563 5.734 -2.182 497 HA LYS 64 HA LYS 64 -6.369 5.270 -4.960 498 HB2 LYS 64 2HB LYS 64 -4.862 7.227 -4.973 499 HB3 LYS 64 1HB LYS 64 -6.343 7.520 -4.074 500 HG2 LYS 64 2HG LYS 64 -4.838 8.429 -2.637 501 HG3 LYS 64 1HG LYS 64 -4.844 6.770 -2.036 502 HD2 LYS 64 2HD LYS 64 -2.843 6.270 -3.311 503 HD3 LYS 64 1HD LYS 64 -2.863 7.885 -4.022 504 HE2 LYS 64 2HE LYS 64 -2.556 8.858 -1.794 505 HE3 LYS 64 1HE LYS 64 -2.522 7.241 -1.095 506 HZ1 LYS 64 3HZ LYS 64 -0.573 8.325 -3.056 507 HZ2 LYS 64 1HZ LYS 64 -0.545 6.761 -2.409 508 HZ3 LYS 64 2HZ LYS 64 -0.295 8.097 -1.404 509 H ALA 65 H ALA 65 -4.401 4.275 -2.309 510 HA ALA 65 HA ALA 65 -1.928 3.956 -3.609 511 HB1 ALA 65 1HB ALA 65 -3.064 2.355 -1.319 512 HB2 ALA 65 2HB ALA 65 -2.171 3.870 -1.180 513 HB3 ALA 65 3HB ALA 65 -1.367 2.425 -1.793 514 H ILE 66 H ILE 66 -4.792 1.933 -3.490 515 HA ILE 66 HA ILE 66 -3.600 -0.404 -4.574 516 HB ILE 66 HB ILE 66 -6.468 0.511 -4.418 517 HG12 ILE 66 2HG1 ILE 66 -5.360 -0.102 -2.301 518 HG13 ILE 66 1HG1 ILE 66 -6.653 -1.223 -2.713 519 HG21 ILE 66 1HG2 ILE 66 -5.399 -2.088 -5.505 520 HG22 ILE 66 2HG2 ILE 66 -6.345 -0.876 -6.370 521 HG23 ILE 66 3HG2 ILE 66 -7.084 -1.805 -5.067 522 HD11 ILE 66 3HD1 ILE 66 -5.025 -2.843 -3.495 523 HD12 ILE 66 1HD1 ILE 66 -4.685 -2.366 -1.832 524 HD13 ILE 66 2HD1 ILE 66 -3.714 -1.713 -3.150 525 H ASN 67 H ASN 67 -5.219 2.385 -6.006 526 HA ASN 67 HA ASN 67 -5.488 1.397 -8.615 527 HB2 ASN 67 2HB ASN 67 -6.615 3.432 -7.797 528 HB3 ASN 67 1HB ASN 67 -5.063 4.263 -7.745 529 HD21 ASN 67 1HD2 ASN 67 -4.056 4.845 -9.669 530 HD22 ASN 67 2HD2 ASN 67 -4.904 4.886 -11.173 531 H ILE 68 H ILE 68 -2.819 3.142 -7.072 532 HA ILE 68 HA ILE 68 -1.254 3.291 -9.465 533 HB ILE 68 HB ILE 68 -0.343 3.625 -6.604 534 HG12 ILE 68 2HG1 ILE 68 -1.194 5.756 -8.576 535 HG13 ILE 68 1HG1 ILE 68 -2.225 5.138 -7.290 536 HG21 ILE 68 1HG2 ILE 68 1.489 3.251 -8.169 537 HG22 ILE 68 2HG2 ILE 68 1.495 4.914 -7.585 538 HG23 ILE 68 3HG2 ILE 68 0.888 4.550 -9.199 539 HD11 ILE 68 3HD1 ILE 68 0.394 6.574 -6.927 540 HD12 ILE 68 1HD1 ILE 68 -0.615 5.937 -5.630 541 HD13 ILE 68 2HD1 ILE 68 -1.214 7.241 -6.654 542 H PHE 69 H PHE 69 -1.203 1.240 -6.577 543 HA PHE 69 HA PHE 69 1.127 -0.194 -7.159 544 HB2 PHE 69 2HB PHE 69 0.047 -0.222 -4.960 545 HB3 PHE 69 1HB PHE 69 -1.324 -1.093 -5.635 546 HD1 PHE 69 1HD PHE 69 2.302 -1.338 -4.940 547 HD2 PHE 69 2HD PHE 69 -1.301 -3.426 -5.818 548 HE1 PHE 69 1HE PHE 69 3.423 -3.473 -4.447 549 HE2 PHE 69 2HE PHE 69 -0.186 -5.565 -5.329 550 HZ PHE 69 HZ PHE 69 2.178 -5.590 -4.641 551 H GLN 70 H GLN 70 -2.254 -0.933 -7.957 552 HA GLN 70 HA GLN 70 -1.759 -3.447 -9.096 553 HB2 GLN 70 2HB GLN 70 -3.992 -3.292 -10.034 554 HB3 GLN 70 1HB GLN 70 -3.983 -2.698 -8.383 555 HG2 GLN 70 2HG GLN 70 -3.975 -0.395 -9.230 556 HG3 GLN 70 1HG GLN 70 -4.026 -1.016 -10.879 557 HE21 GLN 70 1HE2 GLN 70 -5.907 -1.949 -11.655 558 HE22 GLN 70 2HE2 GLN 70 -7.429 -1.756 -10.862 559 H LYS 71 H LYS 71 -2.318 -0.349 -10.760 560 HA LYS 71 HA LYS 71 -1.837 -1.364 -13.343 561 HB2 LYS 71 2HB LYS 71 -3.112 0.708 -12.792 562 HB3 LYS 71 1HB LYS 71 -1.588 1.492 -12.405 563 HG2 LYS 71 2HG LYS 71 -0.840 1.197 -14.699 564 HG3 LYS 71 1HG LYS 71 -2.352 0.374 -15.091 565 HD2 LYS 71 2HD LYS 71 -3.567 2.441 -14.390 566 HD3 LYS 71 1HD LYS 71 -2.003 3.241 -14.228 567 HE2 LYS 71 2HE LYS 71 -3.087 1.996 -16.747 568 HE3 LYS 71 1HE LYS 71 -3.071 3.721 -16.384 569 HZ1 LYS 71 3HZ LYS 71 -0.684 1.978 -16.680 570 HZ2 LYS 71 1HZ LYS 71 -0.646 3.622 -16.281 571 HZ3 LYS 71 2HZ LYS 71 -1.219 3.131 -17.795 572 H LEU 72 H LEU 72 0.404 -0.864 -10.872 573 HA LEU 72 HA LEU 72 2.519 -0.032 -12.725 574 HB2 LEU 72 2HB LEU 72 2.004 0.207 -9.893 575 HB3 LEU 72 1HB LEU 72 3.621 -0.384 -10.207 576 HG LEU 72 HG LEU 72 3.550 2.048 -9.956 577 HD11 LEU 72 1HD1 LEU 72 4.237 1.139 -12.746 578 HD12 LEU 72 2HD1 LEU 72 5.287 1.045 -11.333 579 HD13 LEU 72 3HD1 LEU 72 4.810 2.617 -11.973 580 HD21 LEU 72 3HD2 LEU 72 1.327 2.497 -10.802 581 HD22 LEU 72 1HD2 LEU 72 1.810 1.973 -12.415 582 HD23 LEU 72 2HD2 LEU 72 2.515 3.428 -11.713 583 H ASN 73 H ASN 73 1.850 -2.733 -10.460 584 HA ASN 73 HA ASN 73 4.037 -4.151 -11.838 585 HB2 ASN 73 2HB ASN 73 4.522 -5.308 -9.686 586 HB3 ASN 73 1HB ASN 73 4.845 -3.578 -9.672 587 HD21 ASN 73 1HD2 ASN 73 3.507 -2.212 -8.486 588 HD22 ASN 73 2HD2 ASN 73 2.453 -2.810 -7.255 589 H TYR 74 H TYR 74 1.137 -4.775 -9.851 590 HA TYR 74 HA TYR 74 0.662 -7.148 -11.507 591 HB2 TYR 74 2HB TYR 74 0.978 -7.130 -8.525 592 HB3 TYR 74 1HB TYR 74 0.026 -8.372 -9.332 593 HD1 TYR 74 1HD TYR 74 1.195 -9.711 -11.198 594 HD2 TYR 74 2HD TYR 74 3.292 -7.375 -8.327 595 HE1 TYR 74 1HE TYR 74 3.241 -10.992 -11.661 596 HE2 TYR 74 2HE TYR 74 5.345 -8.650 -8.781 597 HH TYR 74 HH TYR 74 5.991 -10.844 -9.678 598 H MET 75 H MET 75 -0.903 -5.284 -12.181 599 HA MET 75 HA MET 75 -3.097 -4.541 -10.683 600 HB2 MET 75 2HB MET 75 -2.541 -3.634 -12.910 601 HB3 MET 75 1HB MET 75 -3.045 -5.150 -13.643 602 HG2 MET 75 2HG MET 75 -5.321 -4.783 -12.827 603 HG3 MET 75 1HG MET 75 -4.813 -3.256 -12.109 604 HE1 MET 75 3HE MET 75 -3.715 -4.813 -15.576 605 HE2 MET 75 1HE MET 75 -4.922 -4.100 -16.645 606 HE3 MET 75 2HE MET 75 -5.414 -5.256 -15.408 607 H HIS 76 H HIS 76 -2.294 -7.676 -11.663 608 HA HIS 76 HA HIS 76 -4.978 -8.691 -11.876 609 HB2 HIS 76 2HB HIS 76 -3.076 -9.690 -13.111 610 HB3 HIS 76 1HB HIS 76 -2.377 -10.202 -11.579 611 HD1 HIS 76 1HD HIS 76 -5.044 -11.077 -14.038 612 HD2 HIS 76 2HD HIS 76 -3.676 -12.347 -10.326 613 HE1 HIS 76 1HE HIS 76 -6.127 -13.322 -13.612 614 H ILE 77 H ILE 77 -2.348 -9.079 -9.476 615 HA ILE 77 HA ILE 77 -3.974 -10.569 -7.670 616 HB ILE 77 HB ILE 77 -1.480 -10.705 -7.728 617 HG12 ILE 77 2HG1 ILE 77 -2.637 -9.942 -5.036 618 HG13 ILE 77 1HG1 ILE 77 -2.839 -11.512 -5.804 619 HG21 ILE 77 1HG2 ILE 77 -1.547 -8.114 -6.196 620 HG22 ILE 77 2HG2 ILE 77 -1.136 -8.234 -7.905 621 HG23 ILE 77 3HG2 ILE 77 -0.128 -9.033 -6.698 622 HD11 ILE 77 3HD1 ILE 77 -0.216 -10.300 -4.963 623 HD12 ILE 77 1HD1 ILE 77 -0.441 -11.889 -5.692 624 HD13 ILE 77 2HD1 ILE 77 -1.106 -11.550 -4.094 625 H ALA 78 H ALA 78 -3.088 -7.161 -7.921 626 HA ALA 78 HA ALA 78 -4.000 -6.281 -5.439 627 HB1 ALA 78 1HB ALA 78 -2.683 -4.874 -6.920 628 HB2 ALA 78 2HB ALA 78 -4.185 -4.065 -6.470 629 HB3 ALA 78 3HB ALA 78 -4.023 -4.800 -8.065 630 H ASN 79 H ASN 79 -5.765 -7.091 -8.343 631 HA ASN 79 HA ASN 79 -8.195 -5.831 -7.845 632 HB2 ASN 79 2HB ASN 79 -7.690 -6.951 -9.963 633 HB3 ASN 79 1HB ASN 79 -7.699 -8.515 -9.153 634 HD21 ASN 79 1HD2 ASN 79 -9.939 -5.899 -8.500 635 HD22 ASN 79 2HD2 ASN 79 -11.344 -6.700 -9.107 636 H ALA 80 H ALA 80 -6.962 -8.926 -6.666 637 HA ALA 80 HA ALA 80 -9.371 -9.657 -5.324 638 HB1 ALA 80 1HB ALA 80 -7.725 -11.318 -6.066 639 HB2 ALA 80 2HB ALA 80 -8.060 -11.449 -4.339 640 HB3 ALA 80 3HB ALA 80 -6.569 -10.686 -4.892 641 H LEU 81 H LEU 81 -6.498 -7.868 -4.437 642 HA LEU 81 HA LEU 81 -6.892 -7.947 -1.624 643 HB2 LEU 81 2HB LEU 81 -5.385 -5.887 -3.230 644 HB3 LEU 81 1HB LEU 81 -5.208 -6.211 -1.517 645 HG LEU 81 HG LEU 81 -4.520 -8.166 -3.712 646 HD11 LEU 81 1HD1 LEU 81 -2.186 -7.684 -3.091 647 HD12 LEU 81 2HD1 LEU 81 -2.755 -6.398 -2.025 648 HD13 LEU 81 3HD1 LEU 81 -3.010 -6.278 -3.767 649 HD21 LEU 81 3HD2 LEU 81 -3.432 -9.417 -1.907 650 HD22 LEU 81 1HD2 LEU 81 -5.167 -9.255 -1.635 651 HD23 LEU 81 2HD2 LEU 81 -4.034 -8.245 -0.735 652 H GLU 82 H GLU 82 -7.696 -5.507 -4.090 653 HA GLU 82 HA GLU 82 -8.651 -3.523 -2.394 654 HB2 GLU 82 2HB GLU 82 -9.835 -2.625 -4.307 655 HB3 GLU 82 1HB GLU 82 -8.251 -3.200 -4.803 656 HG2 GLU 82 2HG GLU 82 -9.207 -5.172 -5.771 657 HG3 GLU 82 1HG GLU 82 -10.803 -4.754 -5.147 658 H GLU 83 H GLU 83 -10.110 -6.526 -3.310 659 HA GLU 83 HA GLU 83 -12.811 -5.981 -2.915 660 HB2 GLU 83 2HB GLU 83 -11.353 -8.541 -2.239 661 HB3 GLU 83 1HB GLU 83 -13.082 -8.374 -2.514 662 HG2 GLU 83 2HG GLU 83 -12.580 -7.636 -4.832 663 HG3 GLU 83 1HG GLU 83 -10.879 -7.987 -4.527 664 H LYS 84 H LYS 84 -10.258 -6.565 -0.587 665 HA LYS 84 HA LYS 84 -11.765 -7.116 1.684 666 HB2 LYS 84 2HB LYS 84 -9.303 -7.306 1.555 667 HB3 LYS 84 1HB LYS 84 -9.183 -5.552 1.542 668 HG2 LYS 84 2HG LYS 84 -10.025 -5.396 3.762 669 HG3 LYS 84 1HG LYS 84 -10.454 -7.106 3.780 670 HD2 LYS 84 2HD LYS 84 -8.467 -7.051 4.984 671 HD3 LYS 84 1HD LYS 84 -7.938 -7.511 3.365 672 HE2 LYS 84 2HE LYS 84 -7.922 -4.681 4.403 673 HE3 LYS 84 1HE LYS 84 -6.532 -5.761 4.474 674 HZ1 LYS 84 3HZ LYS 84 -7.892 -4.749 2.039 675 HZ2 LYS 84 1HZ LYS 84 -6.713 -5.964 2.017 676 HZ3 LYS 84 2HZ LYS 84 -6.316 -4.410 2.551 677 H LYS 85 H LYS 85 -11.197 -4.092 0.048 678 HA LYS 85 HA LYS 85 -11.750 -2.239 2.016 679 HB2 LYS 85 2HB LYS 85 -11.040 -1.663 -0.272 680 HB3 LYS 85 1HB LYS 85 -12.620 -2.134 -0.878 681 HG2 LYS 85 2HG LYS 85 -13.644 -0.354 0.487 682 HG3 LYS 85 1HG LYS 85 -12.029 0.145 0.998 683 HD2 LYS 85 2HD LYS 85 -11.436 0.560 -1.356 684 HD3 LYS 85 1HD LYS 85 -13.074 0.111 -1.834 685 HE2 LYS 85 2HE LYS 85 -13.956 1.954 -0.463 686 HE3 LYS 85 1HE LYS 85 -12.307 2.413 -0.041 687 HZ1 LYS 85 3HZ LYS 85 -13.472 2.414 -2.774 688 HZ2 LYS 85 1HZ LYS 85 -11.869 2.811 -2.396 689 HZ3 LYS 85 2HZ LYS 85 -13.136 3.779 -1.832 690 H LYS 86 H LYS 86 -13.979 -4.267 0.205 691 HA LYS 86 HA LYS 86 -16.391 -3.033 0.811 692 HB2 LYS 86 2HB LYS 86 -15.844 -5.998 0.579 693 HB3 LYS 86 1HB LYS 86 -17.430 -5.244 0.487 694 HG2 LYS 86 2HG LYS 86 -16.656 -3.989 -1.510 695 HG3 LYS 86 1HG LYS 86 -15.149 -4.906 -1.448 696 HD2 LYS 86 2HD LYS 86 -17.829 -6.259 -1.574 697 HD3 LYS 86 1HD LYS 86 -16.982 -5.738 -3.030 698 HE2 LYS 86 2HE LYS 86 -16.438 -8.024 -2.691 699 HE3 LYS 86 1HE LYS 86 -15.014 -7.086 -2.247 700 HZ1 LYS 86 3HZ LYS 86 -15.471 -7.399 0.039 701 HZ2 LYS 86 1HZ LYS 86 -15.612 -8.921 -0.686 702 HZ3 LYS 86 2HZ LYS 86 -17.002 -8.050 -0.268 703 H GLU 87 H GLU 87 -14.667 -5.543 2.653 704 HA GLU 87 HA GLU 87 -16.561 -5.582 4.782 705 HB2 GLU 87 2HB GLU 87 -15.114 -7.505 4.295 706 HB3 GLU 87 1HB GLU 87 -13.696 -6.551 4.712 707 HG2 GLU 87 2HG GLU 87 -14.516 -6.348 7.009 708 HG3 GLU 87 1HG GLU 87 -15.923 -7.322 6.586 709 H ALA 88 H ALA 88 -13.695 -3.737 4.081 710 HA ALA 88 HA ALA 88 -13.083 -2.784 6.642 711 HB1 ALA 88 1HB ALA 88 -11.619 -2.544 4.672 712 HB2 ALA 88 2HB ALA 88 -11.864 -1.021 5.527 713 HB3 ALA 88 3HB ALA 88 -12.728 -1.336 4.022 714 H GLU 89 H GLU 89 -15.570 -1.884 4.390 715 HA GLU 89 HA GLU 89 -16.216 0.677 5.168 716 HB2 GLU 89 2HB GLU 89 -17.257 -0.960 3.384 717 HB3 GLU 89 1HB GLU 89 -18.419 -1.273 4.665 718 HG2 GLU 89 2HG GLU 89 -17.782 1.441 3.536 719 HG3 GLU 89 1HG GLU 89 -19.169 0.451 3.086 720 H ARG 90 H ARG 90 -17.517 -2.347 6.555 721 HA ARG 90 HA ARG 90 -18.970 -0.983 8.596 722 HB2 ARG 90 2HB ARG 90 -19.353 -3.225 9.535 723 HB3 ARG 90 1HB ARG 90 -19.703 -3.164 7.813 724 HG2 ARG 90 2HG ARG 90 -17.547 -4.207 7.337 725 HG3 ARG 90 1HG ARG 90 -17.199 -4.272 9.066 726 HD2 ARG 90 2HD ARG 90 -18.009 -6.423 8.262 727 HD3 ARG 90 1HD ARG 90 -19.149 -5.709 9.402 728 HE ARG 90 HE ARG 90 -19.898 -4.981 6.800 729 HH11 ARG 90 1HH1 ARG 90 -19.739 -7.796 8.845 730 HH12 ARG 90 2HH1 ARG 90 -21.048 -8.607 8.052 731 HH21 ARG 90 1HH2 ARG 90 -21.627 -6.039 5.750 732 HH22 ARG 90 2HH2 ARG 90 -22.122 -7.607 6.293 733 H LYS 91 H LYS 91 -15.705 -2.025 8.281 734 HA LYS 91 HA LYS 91 -15.111 -2.290 11.053 735 HB2 LYS 91 2HB LYS 91 -13.262 -1.700 8.734 736 HB3 LYS 91 1HB LYS 91 -12.754 -2.187 10.346 737 HG2 LYS 91 2HG LYS 91 -14.063 -4.300 10.014 738 HG3 LYS 91 1HG LYS 91 -14.281 -3.813 8.333 739 HD2 LYS 91 2HD LYS 91 -12.418 -5.281 8.375 740 HD3 LYS 91 1HD LYS 91 -11.769 -3.652 8.175 741 HE2 LYS 91 2HE LYS 91 -10.464 -4.923 9.797 742 HE3 LYS 91 1HE LYS 91 -11.267 -3.551 10.562 743 HZ1 LYS 91 3HZ LYS 91 -11.441 -5.555 11.905 744 HZ2 LYS 91 1HZ LYS 91 -12.219 -6.366 10.638 745 HZ3 LYS 91 2HZ LYS 91 -12.969 -5.048 11.388 746 H LEU 92 H LEU 92 -15.095 0.379 8.779 747 HA LEU 92 HA LEU 92 -13.942 2.190 10.749 748 HB2 LEU 92 2HB LEU 92 -14.846 2.619 7.902 749 HB3 LEU 92 1HB LEU 92 -14.173 3.879 8.918 750 HG LEU 92 HG LEU 92 -12.697 1.364 8.135 751 HD11 LEU 92 1HD1 LEU 92 -13.134 2.730 6.176 752 HD12 LEU 92 2HD1 LEU 92 -11.430 2.820 6.623 753 HD13 LEU 92 3HD1 LEU 92 -12.516 4.155 7.010 754 HD21 LEU 92 3HD2 LEU 92 -10.737 2.559 8.968 755 HD22 LEU 92 1HD2 LEU 92 -11.942 2.353 10.239 756 HD23 LEU 92 2HD2 LEU 92 -11.758 3.916 9.443 757 H MET 93 H MET 93 -16.884 0.914 10.316 758 HA MET 93 HA MET 93 -18.428 3.359 10.675 759 HB2 MET 93 2HB MET 93 -19.334 1.671 9.176 760 HB3 MET 93 1HB MET 93 -19.279 0.465 10.454 761 HG2 MET 93 2HG MET 93 -20.954 1.684 11.710 762 HG3 MET 93 1HG MET 93 -20.979 2.950 10.483 763 HE1 MET 93 3HE MET 93 -22.417 -1.377 9.748 764 HE2 MET 93 1HE MET 93 -21.766 -0.804 11.284 765 HE3 MET 93 2HE MET 93 -20.711 -0.948 9.877 766 H THR 94 H THR 94 -17.223 0.649 12.499 767 HA THR 94 HA THR 94 -18.888 0.877 14.762 768 HB THR 94 HB THR 94 -17.174 -0.396 15.965 769 HG1 THR 94 1HG THR 94 -15.214 -0.905 14.856 770 HG21 THR 94 3HG2 THR 94 -18.691 -1.604 14.472 771 HG22 THR 94 1HG2 THR 94 -17.101 -2.367 14.510 772 HG23 THR 94 2HG2 THR 94 -17.567 -1.369 13.132 773 H ASN 95 H ASN 95 -18.766 2.083 16.586 774 HA ASN 95 HA ASN 95 -18.269 3.844 17.931 775 HB2 ASN 95 2HB ASN 95 -16.264 2.531 18.419 776 HB3 ASN 95 1HB ASN 95 -15.445 3.236 17.028 777 HD21 ASN 95 1HD2 ASN 95 -16.596 3.772 20.257 778 HD22 ASN 95 2HD2 ASN 95 -15.744 5.249 20.534 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -9.634 -1.793 14.214 2 H2 MET 1 2HT MET 1 -8.832 -1.714 15.702 3 H3 MET 1 3HT MET 1 -8.018 -2.280 14.331 4 HA MET 1 HA MET 1 -9.061 0.469 14.677 5 HB2 MET 1 2HB MET 1 -6.252 -0.630 14.887 6 HB3 MET 1 1HB MET 1 -6.636 1.082 14.788 7 HG2 MET 1 2HG MET 1 -7.911 0.910 16.869 8 HG3 MET 1 1HG MET 1 -7.501 -0.801 16.970 9 HE1 MET 1 2HE MET 1 -5.167 2.088 15.699 10 HE2 MET 1 3HE MET 1 -4.354 2.569 17.188 11 HE3 MET 1 1HE MET 1 -6.081 2.869 16.989 12 H GLU 2 H GLU 2 -8.353 1.933 13.027 13 HA GLU 2 HA GLU 2 -8.650 0.922 10.423 14 HB2 GLU 2 2HB GLU 2 -8.200 3.170 9.660 15 HB3 GLU 2 1HB GLU 2 -9.206 3.243 11.098 16 HG2 GLU 2 2HG GLU 2 -6.226 3.663 11.062 17 HG3 GLU 2 1HG GLU 2 -7.429 4.950 11.053 18 H SER 3 H SER 3 -5.842 1.500 12.393 19 HA SER 3 HA SER 3 -3.835 1.655 10.485 20 HB2 SER 3 2HB SER 3 -2.322 0.829 12.247 21 HB3 SER 3 1HB SER 3 -3.441 2.041 12.872 22 HG SER 3 HG SER 3 -3.672 0.499 14.332 23 H GLU 4 H GLU 4 -5.608 -1.134 11.636 24 HA GLU 4 HA GLU 4 -3.873 -3.131 10.642 25 HB2 GLU 4 2HB GLU 4 -6.864 -3.246 11.076 26 HB3 GLU 4 1HB GLU 4 -5.811 -4.636 10.847 27 HG2 GLU 4 2HG GLU 4 -4.605 -4.019 12.908 28 HG3 GLU 4 1HG GLU 4 -5.746 -2.696 13.146 29 H TYR 5 H TYR 5 -6.396 -1.211 9.173 30 HA TYR 5 HA TYR 5 -6.568 -2.795 6.784 31 HB2 TYR 5 2HB TYR 5 -8.511 -1.547 7.464 32 HB3 TYR 5 1HB TYR 5 -7.601 -0.041 7.481 33 HD1 TYR 5 2HD TYR 5 -8.492 -2.792 5.104 34 HD2 TYR 5 1HD TYR 5 -7.833 1.370 5.677 35 HE1 TYR 5 2HE TYR 5 -9.144 -2.374 2.770 36 HE2 TYR 5 1HE TYR 5 -8.484 1.801 3.347 37 HH TYR 5 HH TYR 5 -9.995 -0.543 1.397 38 H ARG 6 H ARG 6 -4.606 -0.161 7.885 39 HA ARG 6 HA ARG 6 -3.744 0.622 5.243 40 HB2 ARG 6 2HB ARG 6 -2.209 1.364 7.695 41 HB3 ARG 6 1HB ARG 6 -2.565 2.325 6.267 42 HG2 ARG 6 2HG ARG 6 -4.532 1.609 8.431 43 HG3 ARG 6 1HG ARG 6 -3.716 3.161 8.251 44 HD2 ARG 6 2HD ARG 6 -4.789 3.481 6.083 45 HD3 ARG 6 1HD ARG 6 -5.587 1.916 6.239 46 HE ARG 6 HE ARG 6 -6.208 3.538 8.462 47 HH11 ARG 6 1HH1 ARG 6 -6.892 3.211 5.062 48 HH12 ARG 6 2HH1 ARG 6 -8.458 3.942 5.176 49 HH21 ARG 6 1HH2 ARG 6 -8.267 4.501 8.622 50 HH22 ARG 6 2HH2 ARG 6 -9.237 4.678 7.198 51 H GLU 7 H GLU 7 -2.187 -0.888 8.052 52 HA GLU 7 HA GLU 7 0.270 -1.454 6.837 53 HB2 GLU 7 2HB GLU 7 -0.031 -1.454 9.247 54 HB3 GLU 7 1HB GLU 7 -1.131 -2.822 9.135 55 HG2 GLU 7 2HG GLU 7 0.711 -4.204 8.278 56 HG3 GLU 7 1HG GLU 7 1.801 -2.834 8.468 57 H MET 8 H MET 8 -2.500 -3.629 7.410 58 HA MET 8 HA MET 8 -1.387 -5.905 6.236 59 HB2 MET 8 2HB MET 8 -3.373 -5.941 7.675 60 HB3 MET 8 1HB MET 8 -4.301 -5.136 6.417 61 HG2 MET 8 2HG MET 8 -4.005 -7.045 4.949 62 HG3 MET 8 1HG MET 8 -3.020 -7.848 6.170 63 HE1 MET 8 3HE MET 8 -6.289 -5.705 6.655 64 HE2 MET 8 1HE MET 8 -7.524 -6.962 6.646 65 HE3 MET 8 2HE MET 8 -6.608 -6.616 5.180 66 H LEU 9 H LEU 9 -3.541 -3.474 4.778 67 HA LEU 9 HA LEU 9 -3.830 -4.663 2.282 68 HB2 LEU 9 2HB LEU 9 -5.147 -2.743 3.079 69 HB3 LEU 9 1HB LEU 9 -3.738 -1.714 2.903 70 HG LEU 9 HG LEU 9 -4.572 -3.195 0.479 71 HD11 LEU 9 1HD1 LEU 9 -6.195 -0.940 1.643 72 HD12 LEU 9 2HD1 LEU 9 -6.745 -2.577 1.288 73 HD13 LEU 9 3HD1 LEU 9 -6.302 -1.490 -0.028 74 HD21 LEU 9 3HD2 LEU 9 -4.030 -1.007 -0.548 75 HD22 LEU 9 1HD2 LEU 9 -2.698 -1.689 0.385 76 HD23 LEU 9 2HD2 LEU 9 -3.665 -0.379 1.059 77 H LEU 10 H LEU 10 -1.165 -2.800 3.562 78 HA LEU 10 HA LEU 10 0.086 -2.433 0.993 79 HB2 LEU 10 2HB LEU 10 1.112 -1.985 3.791 80 HB3 LEU 10 1HB LEU 10 1.980 -1.550 2.330 81 HG LEU 10 HG LEU 10 -0.730 -0.436 3.038 82 HD11 LEU 10 1HD1 LEU 10 0.366 1.522 3.856 83 HD12 LEU 10 2HD1 LEU 10 1.950 0.880 3.422 84 HD13 LEU 10 3HD1 LEU 10 1.019 0.130 4.719 85 HD21 LEU 10 3HD2 LEU 10 1.366 0.441 1.053 86 HD22 LEU 10 1HD2 LEU 10 -0.167 1.254 1.369 87 HD23 LEU 10 2HD2 LEU 10 -0.154 -0.363 0.665 88 H LEU 11 H LEU 11 1.100 -4.182 3.938 89 HA LEU 11 HA LEU 11 3.294 -5.465 2.856 90 HB2 LEU 11 2HB LEU 11 3.107 -7.060 4.688 91 HB3 LEU 11 1HB LEU 11 2.869 -5.413 5.231 92 HG LEU 11 HG LEU 11 0.321 -6.003 4.962 93 HD11 LEU 11 1HD1 LEU 11 -0.113 -8.359 5.572 94 HD12 LEU 11 2HD1 LEU 11 1.595 -8.712 5.311 95 HD13 LEU 11 3HD1 LEU 11 0.588 -8.181 3.965 96 HD21 LEU 11 3HD2 LEU 11 1.994 -7.050 7.241 97 HD22 LEU 11 1HD2 LEU 11 0.272 -6.670 7.298 98 HD23 LEU 11 2HD2 LEU 11 1.451 -5.384 7.043 99 H THR 12 H THR 12 -0.069 -6.228 2.406 100 HA THR 12 HA THR 12 0.201 -8.929 1.650 101 HB THR 12 HB THR 12 -1.945 -8.456 0.303 102 HG1 THR 12 1HG THR 12 -1.965 -6.283 0.057 103 HG21 THR 12 3HG2 THR 12 -2.044 -9.525 2.448 104 HG22 THR 12 1HG2 THR 12 -3.286 -8.273 2.405 105 HG23 THR 12 2HG2 THR 12 -1.779 -7.992 3.279 106 H GLY 13 H GLY 13 1.417 -6.198 0.177 107 HA2 GLY 13 2HA GLY 13 1.599 -7.598 -2.416 108 HA3 GLY 13 1HA GLY 13 1.442 -5.851 -2.295 109 H LEU 14 H LEU 14 3.232 -5.394 -0.166 110 HA LEU 14 HA LEU 14 5.667 -5.174 -1.515 111 HB2 LEU 14 2HB LEU 14 4.921 -5.012 1.390 112 HB3 LEU 14 1HB LEU 14 6.598 -4.897 0.898 113 HG LEU 14 HG LEU 14 5.781 -2.681 1.204 114 HD11 LEU 14 1HD1 LEU 14 5.836 -3.261 -1.753 115 HD12 LEU 14 2HD1 LEU 14 7.247 -3.009 -0.727 116 HD13 LEU 14 3HD1 LEU 14 6.101 -1.694 -0.988 117 HD21 LEU 14 3HD2 LEU 14 3.512 -3.460 -0.618 118 HD22 LEU 14 1HD2 LEU 14 3.845 -1.817 -0.068 119 HD23 LEU 14 2HD2 LEU 14 3.414 -3.066 1.099 120 H ASP 15 H ASP 15 4.553 -7.576 0.823 121 HA ASP 15 HA ASP 15 7.038 -9.031 0.768 122 HB2 ASP 15 2HB ASP 15 5.544 -8.884 2.780 123 HB3 ASP 15 1HB ASP 15 4.383 -9.896 1.927 124 H HIS 16 H HIS 16 4.977 -8.688 -1.609 125 HA HIS 16 HA HIS 16 5.263 -11.475 -2.495 126 HB2 HIS 16 2HB HIS 16 2.788 -9.761 -2.759 127 HB3 HIS 16 1HB HIS 16 3.034 -11.269 -3.634 128 HD1 HIS 16 1HD HIS 16 1.980 -9.934 -0.349 129 HD2 HIS 16 2HD HIS 16 3.075 -13.591 -1.990 130 HE1 HIS 16 1HE HIS 16 1.232 -11.704 1.296 131 H ILE 17 H ILE 17 6.605 -8.774 -3.024 132 HA ILE 17 HA ILE 17 6.483 -8.984 -5.956 133 HB ILE 17 HB ILE 17 6.874 -6.545 -6.122 134 HG12 ILE 17 2HG1 ILE 17 6.132 -6.477 -3.190 135 HG13 ILE 17 1HG1 ILE 17 7.779 -6.304 -3.789 136 HG21 ILE 17 1HG2 ILE 17 4.350 -7.420 -4.730 137 HG22 ILE 17 2HG2 ILE 17 4.653 -7.391 -6.466 138 HG23 ILE 17 3HG2 ILE 17 4.551 -5.879 -5.564 139 HD11 ILE 17 3HD1 ILE 17 5.467 -4.466 -4.368 140 HD12 ILE 17 1HD1 ILE 17 7.095 -4.300 -5.026 141 HD13 ILE 17 2HD1 ILE 17 6.826 -4.144 -3.291 142 H THR 18 H THR 18 8.424 -8.057 -7.031 143 HA THR 18 HA THR 18 10.808 -8.898 -5.581 144 HB THR 18 HB THR 18 10.624 -8.062 -8.479 145 HG1 THR 18 1HG THR 18 9.365 -10.054 -7.482 146 HG21 THR 18 3HG2 THR 18 12.645 -9.458 -8.698 147 HG22 THR 18 1HG2 THR 18 12.623 -9.745 -6.959 148 HG23 THR 18 2HG2 THR 18 12.888 -8.115 -7.581 149 H GLU 19 H GLU 19 12.746 -7.620 -5.581 150 HA GLU 19 HA GLU 19 12.382 -4.989 -4.726 151 HB2 GLU 19 2HB GLU 19 14.851 -4.803 -4.884 152 HB3 GLU 19 1HB GLU 19 14.320 -6.257 -4.051 153 HG2 GLU 19 2HG GLU 19 14.708 -7.564 -6.074 154 HG3 GLU 19 1HG GLU 19 15.238 -6.107 -6.913 155 H GLU 20 H GLU 20 13.036 -6.274 -7.915 156 HA GLU 20 HA GLU 20 13.878 -3.898 -9.159 157 HB2 GLU 20 2HB GLU 20 13.238 -5.007 -11.271 158 HB3 GLU 20 1HB GLU 20 14.187 -6.055 -10.225 159 HG2 GLU 20 2HG GLU 20 12.105 -7.148 -9.486 160 HG3 GLU 20 1HG GLU 20 11.205 -6.141 -10.618 161 H GLU 21 H GLU 21 10.655 -5.304 -8.717 162 HA GLU 21 HA GLU 21 9.335 -3.172 -10.122 163 HB2 GLU 21 2HB GLU 21 8.219 -5.325 -8.313 164 HB3 GLU 21 1HB GLU 21 7.259 -4.245 -9.316 165 HG2 GLU 21 2HG GLU 21 8.271 -5.178 -11.319 166 HG3 GLU 21 1HG GLU 21 9.275 -6.237 -10.328 167 H LEU 22 H LEU 22 10.262 -3.856 -6.854 168 HA LEU 22 HA LEU 22 8.555 -2.239 -5.394 169 HB2 LEU 22 2HB LEU 22 10.190 -3.787 -4.411 170 HB3 LEU 22 1HB LEU 22 11.496 -2.741 -4.930 171 HG LEU 22 HG LEU 22 10.583 -0.954 -3.447 172 HD11 LEU 22 1HD1 LEU 22 8.764 -3.171 -2.525 173 HD12 LEU 22 2HD1 LEU 22 8.278 -1.681 -3.333 174 HD13 LEU 22 3HD1 LEU 22 8.973 -1.620 -1.714 175 HD21 LEU 22 3HD2 LEU 22 11.280 -3.567 -2.111 176 HD22 LEU 22 1HD2 LEU 22 11.369 -1.970 -1.366 177 HD23 LEU 22 2HD2 LEU 22 12.425 -2.372 -2.721 178 H LYS 23 H LYS 23 11.561 -1.381 -7.056 179 HA LYS 23 HA LYS 23 11.736 1.280 -6.195 180 HB2 LYS 23 2HB LYS 23 12.681 0.041 -8.785 181 HB3 LYS 23 1HB LYS 23 13.183 1.612 -8.178 182 HG2 LYS 23 2HG LYS 23 14.298 0.624 -6.319 183 HG3 LYS 23 1HG LYS 23 13.620 -0.963 -6.686 184 HD2 LYS 23 2HD LYS 23 15.880 -0.958 -7.451 185 HD3 LYS 23 1HD LYS 23 14.843 -0.877 -8.875 186 HE2 LYS 23 2HE LYS 23 16.736 0.658 -9.062 187 HE3 LYS 23 1HE LYS 23 15.203 1.530 -9.017 188 HZ1 LYS 23 3HZ LYS 23 16.826 2.605 -7.617 189 HZ2 LYS 23 1HZ LYS 23 17.085 1.179 -6.745 190 HZ3 LYS 23 2HZ LYS 23 15.590 1.965 -6.655 191 H ARG 24 H ARG 24 9.844 -0.208 -8.731 192 HA ARG 24 HA ARG 24 9.168 2.213 -10.081 193 HB2 ARG 24 2HB ARG 24 7.775 -0.469 -10.108 194 HB3 ARG 24 1HB ARG 24 7.484 0.845 -11.239 195 HG2 ARG 24 2HG ARG 24 9.783 0.670 -12.042 196 HG3 ARG 24 1HG ARG 24 10.079 -0.643 -10.902 197 HD2 ARG 24 2HD ARG 24 8.344 -1.980 -11.998 198 HD3 ARG 24 1HD ARG 24 8.057 -0.668 -13.139 199 HE ARG 24 HE ARG 24 10.753 -1.295 -13.292 200 HH11 ARG 24 1HH1 ARG 24 7.699 -2.858 -13.906 201 HH12 ARG 24 2HH1 ARG 24 8.330 -3.887 -15.149 202 HH21 ARG 24 1HH2 ARG 24 11.590 -2.644 -14.924 203 HH22 ARG 24 2HH2 ARG 24 10.544 -3.768 -15.725 204 H PHE 25 H PHE 25 7.525 0.212 -7.659 205 HA PHE 25 HA PHE 25 5.126 1.701 -7.594 206 HB2 PHE 25 2HB PHE 25 5.240 -0.567 -6.722 207 HB3 PHE 25 1HB PHE 25 6.391 -0.064 -5.488 208 HD1 PHE 25 2HD PHE 25 2.944 0.682 -6.692 209 HD2 PHE 25 1HD PHE 25 5.615 0.468 -3.387 210 HE1 PHE 25 2HE PHE 25 1.080 1.165 -5.161 211 HE2 PHE 25 1HE PHE 25 3.756 0.949 -1.849 212 HZ PHE 25 HZ PHE 25 1.485 1.299 -2.736 213 H LYS 26 H LYS 26 7.975 1.775 -5.460 214 HA LYS 26 HA LYS 26 7.062 3.780 -3.734 215 HB2 LYS 26 2HB LYS 26 9.654 2.528 -4.370 216 HB3 LYS 26 1HB LYS 26 9.753 4.138 -3.671 217 HG2 LYS 26 2HG LYS 26 9.886 2.324 -2.003 218 HG3 LYS 26 1HG LYS 26 8.543 3.433 -1.724 219 HD2 LYS 26 2HD LYS 26 6.977 1.858 -2.626 220 HD3 LYS 26 1HD LYS 26 8.279 0.790 -3.153 221 HE2 LYS 26 2HE LYS 26 7.091 0.098 -1.044 222 HE3 LYS 26 1HE LYS 26 8.845 0.232 -0.922 223 HZ1 LYS 26 3HZ LYS 26 6.909 2.308 -0.047 224 HZ2 LYS 26 1HZ LYS 26 8.591 2.382 0.119 225 HZ3 LYS 26 2HZ LYS 26 7.705 1.225 0.978 226 H TYR 27 H TYR 27 8.876 3.999 -6.761 227 HA TYR 27 HA TYR 27 9.329 6.804 -6.583 228 HB2 TYR 27 2HB TYR 27 10.721 5.256 -7.941 229 HB3 TYR 27 1HB TYR 27 9.361 5.046 -9.040 230 HD1 TYR 27 1HD TYR 27 11.948 7.367 -7.865 231 HD2 TYR 27 2HD TYR 27 8.747 6.784 -10.604 232 HE1 TYR 27 1HE TYR 27 12.690 9.334 -9.140 233 HE2 TYR 27 2HE TYR 27 9.480 8.749 -11.888 234 HH TYR 27 HH TYR 27 10.780 10.759 -11.605 235 H PHE 28 H PHE 28 6.847 4.820 -8.125 236 HA PHE 28 HA PHE 28 5.657 6.839 -9.670 237 HB2 PHE 28 2HB PHE 28 5.276 4.198 -9.503 238 HB3 PHE 28 1HB PHE 28 3.911 4.723 -8.523 239 HD1 PHE 28 2HD PHE 28 2.269 6.362 -9.541 240 HD2 PHE 28 1HD PHE 28 5.187 4.274 -11.827 241 HE1 PHE 28 2HE PHE 28 0.977 6.806 -11.590 242 HE2 PHE 28 1HE PHE 28 3.904 4.714 -13.879 243 HZ PHE 28 HZ PHE 28 1.796 5.981 -13.762 244 H ALA 29 H ALA 29 4.608 5.562 -6.495 245 HA ALA 29 HA ALA 29 2.626 7.588 -6.158 246 HB1 ALA 29 1HB ALA 29 2.388 5.422 -5.085 247 HB2 ALA 29 2HB ALA 29 2.416 6.706 -3.874 248 HB3 ALA 29 3HB ALA 29 3.847 5.711 -4.136 249 H LEU 30 H LEU 30 5.778 7.015 -4.611 250 HA LEU 30 HA LEU 30 5.714 9.730 -3.522 251 HB2 LEU 30 2HB LEU 30 7.725 7.541 -3.009 252 HB3 LEU 30 1HB LEU 30 7.527 9.027 -2.098 253 HG LEU 30 HG LEU 30 5.320 6.993 -2.270 254 HD11 LEU 30 1HD1 LEU 30 7.396 5.921 -1.423 255 HD12 LEU 30 2HD1 LEU 30 6.088 5.987 -0.241 256 HD13 LEU 30 3HD1 LEU 30 7.433 7.121 -0.133 257 HD21 LEU 30 3HD2 LEU 30 4.610 8.050 -0.187 258 HD22 LEU 30 1HD2 LEU 30 4.733 9.230 -1.492 259 HD23 LEU 30 2HD2 LEU 30 5.994 9.140 -0.262 260 H THR 31 H THR 31 6.172 10.956 -5.355 261 HA THR 31 HA THR 31 8.622 10.400 -6.834 262 HB THR 31 HB THR 31 7.944 12.237 -8.309 263 HG1 THR 31 1HG THR 31 6.060 13.382 -7.900 264 HG21 THR 31 3HG2 THR 31 5.875 11.241 -9.190 265 HG22 THR 31 1HG2 THR 31 5.698 10.311 -7.702 266 HG23 THR 31 2HG2 THR 31 7.068 10.010 -8.772 267 H GLU 32 H GLU 32 7.199 13.078 -4.976 268 HA GLU 32 HA GLU 32 9.806 14.393 -4.868 269 HB2 GLU 32 2HB GLU 32 7.088 15.347 -3.957 270 HB3 GLU 32 1HB GLU 32 8.563 16.304 -3.926 271 HG2 GLU 32 2HG GLU 32 7.261 15.187 -6.401 272 HG3 GLU 32 1HG GLU 32 7.125 16.849 -5.832 273 H PHE 33 H PHE 33 8.081 12.199 -3.031 274 HA PHE 33 HA PHE 33 8.840 13.255 -0.443 275 HB2 PHE 33 2HB PHE 33 7.571 10.623 -1.216 276 HB3 PHE 33 1HB PHE 33 7.831 11.167 0.438 277 HD1 PHE 33 2HD PHE 33 6.740 13.394 1.112 278 HD2 PHE 33 1HD PHE 33 5.602 11.149 -2.321 279 HE1 PHE 33 2HE PHE 33 4.570 14.553 1.080 280 HE2 PHE 33 1HE PHE 33 3.430 12.307 -2.360 281 HZ PHE 33 HZ PHE 33 2.913 14.009 -0.658 282 H GLN 34 H GLN 34 10.124 11.051 -2.786 283 HA GLN 34 HA GLN 34 11.891 9.586 -2.753 284 HB2 GLN 34 2HB GLN 34 12.921 11.856 -2.847 285 HB3 GLN 34 1HB GLN 34 13.102 11.808 -1.099 286 HG2 GLN 34 2HG GLN 34 15.185 11.259 -2.203 287 HG3 GLN 34 1HG GLN 34 14.576 9.876 -1.297 288 HE21 GLN 34 1HE2 GLN 34 13.869 8.062 -2.396 289 HE22 GLN 34 2HE2 GLN 34 14.184 7.809 -4.076 290 H ILE 35 H ILE 35 10.497 8.214 -1.254 291 HA ILE 35 HA ILE 35 10.938 8.135 1.512 292 HB ILE 35 HB ILE 35 9.113 6.958 0.180 293 HG12 ILE 35 2HG1 ILE 35 10.430 5.146 2.185 294 HG13 ILE 35 1HG1 ILE 35 9.731 6.688 2.671 295 HG21 ILE 35 1HG2 ILE 35 11.234 4.831 -0.053 296 HG22 ILE 35 2HG2 ILE 35 10.582 5.783 -1.385 297 HG23 ILE 35 3HG2 ILE 35 9.537 4.667 -0.507 298 HD11 ILE 35 3HD1 ILE 35 7.558 5.974 1.819 299 HD12 ILE 35 1HD1 ILE 35 8.177 4.858 3.037 300 HD13 ILE 35 2HD1 ILE 35 8.260 4.431 1.328 301 H ALA 36 H ALA 36 12.256 6.852 2.811 302 HA ALA 36 HA ALA 36 14.907 6.538 1.972 303 HB1 ALA 36 1HB ALA 36 15.278 5.429 4.112 304 HB2 ALA 36 2HB ALA 36 13.536 5.267 4.335 305 HB3 ALA 36 3HB ALA 36 14.276 6.868 4.306 306 H ARG 37 H ARG 37 15.869 5.029 0.812 307 HA ARG 37 HA ARG 37 14.518 2.739 -0.159 308 HB2 ARG 37 2HB ARG 37 16.274 3.805 -1.455 309 HB3 ARG 37 1HB ARG 37 17.453 3.463 -0.196 310 HG2 ARG 37 2HG ARG 37 17.051 1.032 -0.584 311 HG3 ARG 37 1HG ARG 37 16.050 1.478 -1.967 312 HD2 ARG 37 2HD ARG 37 17.938 2.568 -3.020 313 HD3 ARG 37 1HD ARG 37 18.944 2.241 -1.608 314 HE ARG 37 HE ARG 37 17.994 -0.204 -2.494 315 HH11 ARG 37 1HH1 ARG 37 19.987 2.377 -3.722 316 HH12 ARG 37 2HH1 ARG 37 20.942 1.337 -4.723 317 HH21 ARG 37 1HH2 ARG 37 19.244 -1.581 -3.812 318 HH22 ARG 37 2HH2 ARG 37 20.520 -0.914 -4.775 319 H SER 38 H SER 38 16.621 3.309 2.559 320 HA SER 38 HA SER 38 17.284 0.589 3.071 321 HB2 SER 38 2HB SER 38 17.310 2.988 4.917 322 HB3 SER 38 1HB SER 38 18.046 1.425 5.272 323 HG SER 38 HG SER 38 19.471 3.091 4.378 324 H THR 39 H THR 39 14.698 2.718 4.162 325 HA THR 39 HA THR 39 13.703 1.024 6.194 326 HB THR 39 HB THR 39 11.624 2.352 6.035 327 HG1 THR 39 1HG THR 39 12.208 2.682 3.584 328 HG21 THR 39 3HG2 THR 39 12.619 4.514 6.624 329 HG22 THR 39 1HG2 THR 39 14.159 3.992 5.940 330 HG23 THR 39 2HG2 THR 39 13.505 3.180 7.362 331 H LEU 40 H LEU 40 13.524 0.847 2.788 332 HA LEU 40 HA LEU 40 11.084 -0.339 2.287 333 HB2 LEU 40 2HB LEU 40 13.746 -0.984 1.022 334 HB3 LEU 40 1HB LEU 40 12.184 -1.434 0.364 335 HG LEU 40 HG LEU 40 13.166 1.396 0.753 336 HD11 LEU 40 1HD1 LEU 40 13.262 1.456 -1.691 337 HD12 LEU 40 2HD1 LEU 40 12.833 -0.254 -1.748 338 HD13 LEU 40 3HD1 LEU 40 14.361 0.248 -1.026 339 HD21 LEU 40 3HD2 LEU 40 10.760 1.263 0.988 340 HD22 LEU 40 1HD2 LEU 40 10.641 0.326 -0.501 341 HD23 LEU 40 2HD2 LEU 40 11.173 2.007 -0.556 342 H ASP 41 H ASP 41 13.719 -1.608 4.075 343 HA ASP 41 HA ASP 41 13.377 -4.359 3.715 344 HB2 ASP 41 2HB ASP 41 14.444 -2.694 5.979 345 HB3 ASP 41 1HB ASP 41 14.322 -4.445 6.131 346 H VAL 42 H VAL 42 12.166 -2.393 6.438 347 HA VAL 42 HA VAL 42 10.051 -4.400 6.863 348 HB VAL 42 HB VAL 42 9.788 -3.358 9.104 349 HG11 VAL 42 1HG1 VAL 42 12.577 -4.313 8.456 350 HG12 VAL 42 2HG1 VAL 42 11.188 -5.334 8.831 351 HG13 VAL 42 3HG1 VAL 42 11.856 -4.266 10.065 352 HG21 VAL 42 3HG2 VAL 42 12.212 -1.765 8.281 353 HG22 VAL 42 1HG2 VAL 42 11.541 -1.833 9.910 354 HG23 VAL 42 2HG2 VAL 42 10.596 -1.133 8.596 355 H ALA 43 H ALA 43 10.280 -1.912 5.026 356 HA ALA 43 HA ALA 43 8.518 0.071 5.819 357 HB1 ALA 43 1HB ALA 43 8.287 0.607 3.452 358 HB2 ALA 43 2HB ALA 43 9.032 -0.936 3.036 359 HB3 ALA 43 3HB ALA 43 9.966 0.292 3.890 360 H ASP 44 H ASP 44 7.795 -3.107 4.564 361 HA ASP 44 HA ASP 44 5.237 -2.623 3.593 362 HB2 ASP 44 2HB ASP 44 4.824 -5.032 3.974 363 HB3 ASP 44 1HB ASP 44 6.372 -4.722 3.195 364 H ARG 45 H ARG 45 6.076 -3.762 6.913 365 HA ARG 45 HA ARG 45 3.321 -3.430 7.674 366 HB2 ARG 45 2HB ARG 45 4.155 -4.105 9.954 367 HB3 ARG 45 1HB ARG 45 4.366 -5.275 8.660 368 HG2 ARG 45 2HG ARG 45 6.732 -4.447 8.441 369 HG3 ARG 45 1HG ARG 45 6.460 -3.524 9.921 370 HD2 ARG 45 2HD ARG 45 5.932 -5.583 11.118 371 HD3 ARG 45 1HD ARG 45 6.180 -6.513 9.640 372 HE ARG 45 HE ARG 45 8.461 -4.939 10.371 373 HH11 ARG 45 1HH1 ARG 45 6.794 -7.949 10.936 374 HH12 ARG 45 2HH1 ARG 45 8.217 -8.788 11.455 375 HH21 ARG 45 1HH2 ARG 45 10.339 -6.036 11.052 376 HH22 ARG 45 2HH2 ARG 45 10.232 -7.700 11.521 377 H THR 46 H THR 46 6.297 -1.987 9.039 378 HA THR 46 HA THR 46 4.719 -0.074 10.510 379 HB THR 46 HB THR 46 7.711 -0.356 10.406 380 HG1 THR 46 1HG THR 46 6.207 -1.220 12.590 381 HG21 THR 46 3HG2 THR 46 5.884 1.061 12.350 382 HG22 THR 46 1HG2 THR 46 7.029 1.820 11.243 383 HG23 THR 46 2HG2 THR 46 7.617 0.825 12.575 384 H GLU 47 H GLU 47 7.410 0.344 8.184 385 HA GLU 47 HA GLU 47 7.267 3.166 8.328 386 HB2 GLU 47 2HB GLU 47 8.927 1.180 7.062 387 HB3 GLU 47 1HB GLU 47 8.671 2.574 6.015 388 HG2 GLU 47 2HG GLU 47 10.669 2.817 7.396 389 HG3 GLU 47 1HG GLU 47 9.472 4.060 7.752 390 H LEU 48 H LEU 48 6.504 1.122 5.463 391 HA LEU 48 HA LEU 48 5.668 3.209 3.852 392 HB2 LEU 48 2HB LEU 48 5.765 0.472 3.589 393 HB3 LEU 48 1HB LEU 48 4.052 0.812 3.458 394 HG LEU 48 HG LEU 48 6.239 1.996 1.751 395 HD11 LEU 48 1HD1 LEU 48 5.784 -0.345 1.250 396 HD12 LEU 48 2HD1 LEU 48 5.213 0.704 -0.049 397 HD13 LEU 48 3HD1 LEU 48 4.064 0.014 1.098 398 HD21 LEU 48 3HD2 LEU 48 4.423 2.989 0.449 399 HD22 LEU 48 1HD2 LEU 48 4.431 3.593 2.106 400 HD23 LEU 48 2HD2 LEU 48 3.250 2.379 1.616 401 H ALA 49 H ALA 49 3.788 1.438 6.262 402 HA ALA 49 HA ALA 49 1.264 2.467 5.560 403 HB1 ALA 49 1HB ALA 49 1.558 0.517 7.002 404 HB2 ALA 49 2HB ALA 49 0.544 1.740 7.767 405 HB3 ALA 49 3HB ALA 49 2.226 1.551 8.265 406 H ASP 50 H ASP 50 3.472 3.496 8.160 407 HA ASP 50 HA ASP 50 1.921 5.741 8.909 408 HB2 ASP 50 2HB ASP 50 3.530 4.661 10.421 409 HB3 ASP 50 1HB ASP 50 4.855 5.198 9.394 410 H HIS 51 H HIS 51 4.517 5.314 6.598 411 HA HIS 51 HA HIS 51 5.196 8.029 6.273 412 HB2 HIS 51 2HB HIS 51 6.580 6.078 5.539 413 HB3 HIS 51 1HB HIS 51 5.457 5.848 4.202 414 HD1 HIS 51 1HD HIS 51 8.347 7.905 5.279 415 HD2 HIS 51 2HD HIS 51 5.507 7.906 2.247 416 HE1 HIS 51 1HE HIS 51 9.191 9.510 3.515 417 H LEU 52 H LEU 52 3.197 5.960 4.120 418 HA LEU 52 HA LEU 52 2.490 8.022 2.380 419 HB2 LEU 52 2HB LEU 52 0.587 6.587 1.695 420 HB3 LEU 52 1HB LEU 52 2.142 5.782 1.678 421 HG LEU 52 HG LEU 52 1.397 4.947 4.060 422 HD11 LEU 52 1HD1 LEU 52 -1.267 5.399 2.728 423 HD12 LEU 52 2HD1 LEU 52 -0.655 6.336 4.090 424 HD13 LEU 52 3HD1 LEU 52 -0.972 4.613 4.278 425 HD21 LEU 52 3HD2 LEU 52 0.449 3.916 1.398 426 HD22 LEU 52 1HD2 LEU 52 0.247 3.017 2.902 427 HD23 LEU 52 2HD2 LEU 52 1.864 3.416 2.323 428 H ILE 53 H ILE 53 1.086 7.106 5.458 429 HA ILE 53 HA ILE 53 -1.362 8.439 5.264 430 HB ILE 53 HB ILE 53 0.379 7.899 7.668 431 HG12 ILE 53 2HG1 ILE 53 -2.218 6.625 6.794 432 HG13 ILE 53 1HG1 ILE 53 -0.631 5.976 6.396 433 HG21 ILE 53 1HG2 ILE 53 -0.996 9.811 8.205 434 HG22 ILE 53 2HG2 ILE 53 -1.625 8.387 9.034 435 HG23 ILE 53 3HG2 ILE 53 -2.431 8.993 7.587 436 HD11 ILE 53 3HD1 ILE 53 -0.152 5.672 8.762 437 HD12 ILE 53 1HD1 ILE 53 -1.629 4.827 8.294 438 HD13 ILE 53 2HD1 ILE 53 -1.726 6.353 9.173 439 H GLN 54 H GLN 54 1.852 9.641 5.992 440 HA GLN 54 HA GLN 54 0.976 12.246 6.789 441 HB2 GLN 54 2HB GLN 54 3.113 11.280 7.551 442 HB3 GLN 54 1HB GLN 54 3.711 11.313 5.898 443 HG2 GLN 54 2HG GLN 54 3.580 13.732 5.871 444 HG3 GLN 54 1HG GLN 54 2.906 13.731 7.500 445 HE21 GLN 54 1HE2 GLN 54 5.755 13.270 5.571 446 HE22 GLN 54 2HE2 GLN 54 6.891 13.297 6.874 447 H SER 55 H SER 55 1.758 10.704 3.775 448 HA SER 55 HA SER 55 2.242 13.063 2.266 449 HB2 SER 55 2HB SER 55 1.381 10.307 1.362 450 HB3 SER 55 1HB SER 55 1.940 11.592 0.293 451 HG SER 55 HG SER 55 3.375 10.038 2.123 452 H ALA 56 H ALA 56 -0.609 10.894 2.320 453 HA ALA 56 HA ALA 56 -2.235 13.224 1.528 454 HB1 ALA 56 1HB ALA 56 -1.985 11.649 -0.330 455 HB2 ALA 56 2HB ALA 56 -3.657 11.752 0.222 456 HB3 ALA 56 3HB ALA 56 -2.663 10.367 0.672 457 H GLY 57 H GLY 57 -2.082 10.238 3.387 458 HA2 GLY 57 2HA GLY 57 -3.268 10.791 5.649 459 HA3 GLY 57 1HA GLY 57 -4.682 10.842 4.607 460 H ALA 58 H ALA 58 -5.067 9.106 6.444 461 HA ALA 58 HA ALA 58 -3.882 6.546 6.032 462 HB1 ALA 58 1HB ALA 58 -4.801 7.202 8.197 463 HB2 ALA 58 2HB ALA 58 -5.568 5.731 7.598 464 HB3 ALA 58 3HB ALA 58 -6.417 7.273 7.495 465 H ALA 59 H ALA 59 -7.312 7.440 5.684 466 HA ALA 59 HA ALA 59 -7.896 5.246 3.992 467 HB1 ALA 59 1HB ALA 59 -10.084 6.264 3.727 468 HB2 ALA 59 2HB ALA 59 -9.484 7.771 4.419 469 HB3 ALA 59 3HB ALA 59 -9.577 6.320 5.416 470 H SER 60 H SER 60 -7.112 8.618 3.369 471 HA SER 60 HA SER 60 -7.845 8.725 0.669 472 HB2 SER 60 2HB SER 60 -5.679 10.256 2.119 473 HB3 SER 60 1HB SER 60 -6.338 10.678 0.539 474 HG SER 60 HG SER 60 -8.079 10.343 2.714 475 H ALA 61 H ALA 61 -4.611 8.141 2.072 476 HA ALA 61 HA ALA 61 -3.369 7.706 -0.437 477 HB1 ALA 61 1HB ALA 61 -2.129 8.419 1.539 478 HB2 ALA 61 2HB ALA 61 -1.450 6.950 0.842 479 HB3 ALA 61 3HB ALA 61 -2.441 6.858 2.298 480 H VAL 62 H VAL 62 -4.493 5.418 2.062 481 HA VAL 62 HA VAL 62 -3.602 3.087 0.808 482 HB VAL 62 HB VAL 62 -5.966 3.468 2.649 483 HG11 VAL 62 1HG1 VAL 62 -5.801 1.046 3.062 484 HG12 VAL 62 2HG1 VAL 62 -4.596 0.923 1.781 485 HG13 VAL 62 3HG1 VAL 62 -6.247 1.408 1.394 486 HG21 VAL 62 3HG2 VAL 62 -3.131 2.563 3.147 487 HG22 VAL 62 1HG2 VAL 62 -4.420 2.576 4.348 488 HG23 VAL 62 2HG2 VAL 62 -3.849 4.092 3.652 489 H THR 63 H THR 63 -6.536 4.966 0.286 490 HA THR 63 HA THR 63 -7.908 3.032 -1.259 491 HB THR 63 HB THR 63 -8.160 6.046 -1.292 492 HG1 THR 63 1HG THR 63 -8.736 4.484 0.614 493 HG21 THR 63 3HG2 THR 63 -10.007 3.940 -2.426 494 HG22 THR 63 1HG2 THR 63 -9.036 5.075 -3.362 495 HG23 THR 63 2HG2 THR 63 -10.345 5.670 -2.342 496 H LYS 64 H LYS 64 -6.042 5.903 -2.293 497 HA LYS 64 HA LYS 64 -6.156 5.242 -5.048 498 HB2 LYS 64 2HB LYS 64 -4.406 6.974 -5.318 499 HB3 LYS 64 1HB LYS 64 -5.780 7.530 -4.375 500 HG2 LYS 64 2HG LYS 64 -4.075 8.351 -3.113 501 HG3 LYS 64 1HG LYS 64 -4.272 6.772 -2.353 502 HD2 LYS 64 2HD LYS 64 -2.444 5.884 -3.713 503 HD3 LYS 64 1HD LYS 64 -2.257 7.454 -4.496 504 HE2 LYS 64 2HE LYS 64 -1.751 8.450 -2.291 505 HE3 LYS 64 1HE LYS 64 -1.850 6.845 -1.571 506 HZ1 LYS 64 3HZ LYS 64 0.434 7.446 -2.013 507 HZ2 LYS 64 1HZ LYS 64 0.090 7.701 -3.651 508 HZ3 LYS 64 2HZ LYS 64 -0.016 6.145 -2.996 509 H ALA 65 H ALA 65 -4.141 4.192 -2.463 510 HA ALA 65 HA ALA 65 -1.801 3.502 -3.816 511 HB1 ALA 65 1HB ALA 65 -1.984 3.496 -1.385 512 HB2 ALA 65 2HB ALA 65 -1.383 1.950 -1.981 513 HB3 ALA 65 3HB ALA 65 -3.062 2.102 -1.461 514 H ILE 66 H ILE 66 -4.858 1.775 -3.513 515 HA ILE 66 HA ILE 66 -3.986 -0.689 -4.576 516 HB ILE 66 HB ILE 66 -6.734 0.559 -4.558 517 HG12 ILE 66 2HG1 ILE 66 -5.775 0.094 -2.335 518 HG13 ILE 66 1HG1 ILE 66 -7.156 -0.943 -2.680 519 HG21 ILE 66 1HG2 ILE 66 -7.553 -1.759 -4.959 520 HG22 ILE 66 2HG2 ILE 66 -5.891 -2.235 -5.305 521 HG23 ILE 66 3HG2 ILE 66 -6.699 -1.048 -6.328 522 HD11 ILE 66 3HD1 ILE 66 -4.253 -1.720 -2.832 523 HD12 ILE 66 1HD1 ILE 66 -5.609 -2.762 -3.264 524 HD13 ILE 66 2HD1 ILE 66 -5.418 -2.208 -1.601 525 H ASN 67 H ASN 67 -5.342 2.204 -6.091 526 HA ASN 67 HA ASN 67 -5.659 1.166 -8.680 527 HB2 ASN 67 2HB ASN 67 -5.094 4.016 -7.842 528 HB3 ASN 67 1HB ASN 67 -5.720 3.513 -9.408 529 HD21 ASN 67 1HD2 ASN 67 -6.870 5.267 -7.367 530 HD22 ASN 67 2HD2 ASN 67 -8.411 4.590 -6.978 531 H ILE 68 H ILE 68 -2.914 2.846 -7.182 532 HA ILE 68 HA ILE 68 -1.341 2.903 -9.555 533 HB ILE 68 HB ILE 68 -0.384 3.101 -6.699 534 HG12 ILE 68 2HG1 ILE 68 -1.122 5.356 -8.574 535 HG13 ILE 68 1HG1 ILE 68 -2.200 4.734 -7.328 536 HG21 ILE 68 1HG2 ILE 68 0.852 4.041 -9.284 537 HG22 ILE 68 2HG2 ILE 68 1.403 2.686 -8.298 538 HG23 ILE 68 3HG2 ILE 68 1.499 4.331 -7.669 539 HD11 ILE 68 3HD1 ILE 68 -0.588 5.367 -5.612 540 HD12 ILE 68 1HD1 ILE 68 -1.063 6.751 -6.596 541 HD13 ILE 68 2HD1 ILE 68 0.500 5.978 -6.858 542 H PHE 69 H PHE 69 -1.171 0.894 -6.622 543 HA PHE 69 HA PHE 69 1.000 -0.672 -7.326 544 HB2 PHE 69 2HB PHE 69 -0.013 -0.644 -5.082 545 HB3 PHE 69 1HB PHE 69 -1.408 -1.515 -5.708 546 HD1 PHE 69 2HD PHE 69 2.273 -1.777 -5.305 547 HD2 PHE 69 1HD PHE 69 -1.427 -3.837 -5.726 548 HE1 PHE 69 2HE PHE 69 3.414 -3.910 -4.857 549 HE2 PHE 69 1HE PHE 69 -0.293 -5.974 -5.279 550 HZ PHE 69 HZ PHE 69 2.131 -6.012 -4.845 551 H GLN 70 H GLN 70 -2.450 -1.360 -7.913 552 HA GLN 70 HA GLN 70 -2.088 -3.856 -9.105 553 HB2 GLN 70 2HB GLN 70 -4.337 -3.649 -9.934 554 HB3 GLN 70 1HB GLN 70 -4.265 -2.944 -8.328 555 HG2 GLN 70 2HG GLN 70 -4.187 -0.709 -9.319 556 HG3 GLN 70 1HG GLN 70 -4.278 -1.427 -10.925 557 HE21 GLN 70 1HE2 GLN 70 -6.005 -0.679 -8.017 558 HE22 GLN 70 2HE2 GLN 70 -7.586 -1.008 -8.625 559 H LYS 71 H LYS 71 -2.536 -0.720 -10.736 560 HA LYS 71 HA LYS 71 -2.157 -1.748 -13.336 561 HB2 LYS 71 2HB LYS 71 -1.938 1.069 -12.278 562 HB3 LYS 71 1HB LYS 71 -1.946 0.644 -13.985 563 HG2 LYS 71 2HG LYS 71 -4.184 -0.281 -13.756 564 HG3 LYS 71 1HG LYS 71 -4.176 0.102 -12.033 565 HD2 LYS 71 2HD LYS 71 -3.957 2.481 -12.563 566 HD3 LYS 71 1HD LYS 71 -3.959 2.098 -14.287 567 HE2 LYS 71 2HE LYS 71 -6.207 1.161 -14.074 568 HE3 LYS 71 1HE LYS 71 -6.205 1.538 -12.352 569 HZ1 LYS 71 3HZ LYS 71 -6.034 3.882 -12.894 570 HZ2 LYS 71 1HZ LYS 71 -7.397 3.207 -13.638 571 HZ3 LYS 71 2HZ LYS 71 -6.009 3.529 -14.548 572 H LEU 72 H LEU 72 0.143 -1.345 -10.914 573 HA LEU 72 HA LEU 72 2.253 -0.669 -12.853 574 HB2 LEU 72 2HB LEU 72 1.792 -0.176 -10.036 575 HB3 LEU 72 1HB LEU 72 3.401 -0.787 -10.351 576 HG LEU 72 HG LEU 72 3.322 1.656 -10.296 577 HD11 LEU 72 1HD1 LEU 72 4.468 2.072 -12.438 578 HD12 LEU 72 2HD1 LEU 72 3.934 0.489 -13.004 579 HD13 LEU 72 3HD1 LEU 72 5.036 0.609 -11.633 580 HD21 LEU 72 3HD2 LEU 72 2.191 2.908 -12.056 581 HD22 LEU 72 1HD2 LEU 72 1.039 1.963 -11.113 582 HD23 LEU 72 2HD2 LEU 72 1.535 1.408 -12.712 583 H ASN 73 H ASN 73 1.519 -3.121 -10.351 584 HA ASN 73 HA ASN 73 3.705 -4.704 -11.534 585 HB2 ASN 73 2HB ASN 73 2.924 -4.553 -8.627 586 HB3 ASN 73 1HB ASN 73 4.123 -5.660 -9.291 587 HD21 ASN 73 1HD2 ASN 73 4.428 -3.551 -7.306 588 HD22 ASN 73 2HD2 ASN 73 5.633 -2.479 -7.925 589 H TYR 74 H TYR 74 0.712 -5.074 -9.628 590 HA TYR 74 HA TYR 74 0.267 -7.594 -11.067 591 HB2 TYR 74 2HB TYR 74 0.353 -7.285 -8.080 592 HB3 TYR 74 1HB TYR 74 -0.498 -8.617 -8.856 593 HD1 TYR 74 1HD TYR 74 0.813 -10.182 -10.348 594 HD2 TYR 74 2HD TYR 74 2.690 -7.349 -7.789 595 HE1 TYR 74 1HE TYR 74 2.918 -11.442 -10.509 596 HE2 TYR 74 2HE TYR 74 4.802 -8.601 -7.943 597 HH TYR 74 HH TYR 74 5.324 -11.047 -10.241 598 H MET 75 H MET 75 -1.225 -5.759 -12.012 599 HA MET 75 HA MET 75 -3.492 -4.890 -10.698 600 HB2 MET 75 2HB MET 75 -4.576 -4.860 -12.968 601 HB3 MET 75 1HB MET 75 -3.028 -4.032 -12.870 602 HG2 MET 75 2HG MET 75 -1.924 -5.949 -13.879 603 HG3 MET 75 1HG MET 75 -3.461 -6.807 -13.952 604 HE1 MET 75 3HE MET 75 -1.433 -6.221 -16.472 605 HE2 MET 75 1HE MET 75 -2.654 -5.932 -17.712 606 HE3 MET 75 2HE MET 75 -2.881 -7.226 -16.535 607 H HIS 76 H HIS 76 -2.649 -8.072 -11.588 608 HA HIS 76 HA HIS 76 -5.333 -9.118 -11.641 609 HB2 HIS 76 2HB HIS 76 -2.658 -10.527 -11.510 610 HB3 HIS 76 1HB HIS 76 -4.210 -11.321 -11.764 611 HD1 HIS 76 1HD HIS 76 -1.443 -9.855 -13.597 612 HD2 HIS 76 2HD HIS 76 -5.512 -10.397 -14.230 613 HE1 HIS 76 1HE HIS 76 -1.816 -9.593 -16.084 614 H ILE 77 H ILE 77 -2.560 -9.380 -9.418 615 HA ILE 77 HA ILE 77 -3.920 -10.854 -7.429 616 HB ILE 77 HB ILE 77 -1.452 -9.124 -7.275 617 HG12 ILE 77 2HG1 ILE 77 -1.832 -12.127 -7.317 618 HG13 ILE 77 1HG1 ILE 77 -1.285 -11.147 -8.672 619 HG21 ILE 77 1HG2 ILE 77 -2.448 -9.188 -5.072 620 HG22 ILE 77 2HG2 ILE 77 -1.009 -10.207 -5.104 621 HG23 ILE 77 3HG2 ILE 77 -2.611 -10.942 -5.167 622 HD11 ILE 77 3HD1 ILE 77 0.160 -11.588 -6.071 623 HD12 ILE 77 1HD1 ILE 77 0.700 -10.506 -7.355 624 HD13 ILE 77 2HD1 ILE 77 0.591 -12.241 -7.652 625 H ALA 78 H ALA 78 -3.210 -7.384 -7.713 626 HA ALA 78 HA ALA 78 -4.259 -6.512 -5.307 627 HB1 ALA 78 1HB ALA 78 -4.313 -5.073 -7.954 628 HB2 ALA 78 2HB ALA 78 -2.974 -5.086 -6.806 629 HB3 ALA 78 3HB ALA 78 -4.505 -4.329 -6.366 630 H ASN 79 H ASN 79 -5.925 -7.449 -8.236 631 HA ASN 79 HA ASN 79 -8.401 -6.273 -7.874 632 HB2 ASN 79 2HB ASN 79 -7.809 -7.533 -9.887 633 HB3 ASN 79 1HB ASN 79 -7.807 -9.033 -8.964 634 HD21 ASN 79 1HD2 ASN 79 -9.736 -6.593 -10.467 635 HD22 ASN 79 2HD2 ASN 79 -11.256 -7.399 -10.307 636 H ALA 80 H ALA 80 -7.068 -9.155 -6.355 637 HA ALA 80 HA ALA 80 -9.495 -9.929 -5.069 638 HB1 ALA 80 1HB ALA 80 -6.651 -10.681 -4.405 639 HB2 ALA 80 2HB ALA 80 -7.707 -11.531 -5.534 640 HB3 ALA 80 3HB ALA 80 -8.105 -11.488 -3.817 641 H LEU 81 H LEU 81 -6.784 -7.875 -4.210 642 HA LEU 81 HA LEU 81 -7.417 -7.669 -1.440 643 HB2 LEU 81 2HB LEU 81 -5.764 -5.846 -3.186 644 HB3 LEU 81 1HB LEU 81 -5.811 -5.806 -1.434 645 HG LEU 81 HG LEU 81 -4.801 -8.114 -3.099 646 HD11 LEU 81 1HD1 LEU 81 -2.599 -7.475 -2.275 647 HD12 LEU 81 2HD1 LEU 81 -3.304 -6.089 -1.442 648 HD13 LEU 81 3HD1 LEU 81 -3.332 -6.166 -3.204 649 HD21 LEU 81 3HD2 LEU 81 -4.010 -9.010 -0.957 650 HD22 LEU 81 1HD2 LEU 81 -5.766 -8.862 -0.995 651 HD23 LEU 81 2HD2 LEU 81 -4.801 -7.678 -0.114 652 H GLU 82 H GLU 82 -8.101 -5.610 -4.257 653 HA GLU 82 HA GLU 82 -9.231 -3.455 -2.895 654 HB2 GLU 82 2HB GLU 82 -10.292 -2.852 -4.991 655 HB3 GLU 82 1HB GLU 82 -8.653 -3.412 -5.292 656 HG2 GLU 82 2HG GLU 82 -9.426 -5.492 -6.124 657 HG3 GLU 82 1HG GLU 82 -11.074 -5.165 -5.588 658 H GLU 83 H GLU 83 -10.497 -6.607 -3.570 659 HA GLU 83 HA GLU 83 -13.249 -6.040 -3.280 660 HB2 GLU 83 2HB GLU 83 -11.714 -8.594 -2.767 661 HB3 GLU 83 1HB GLU 83 -13.467 -8.479 -2.816 662 HG2 GLU 83 2HG GLU 83 -11.636 -7.796 -5.103 663 HG3 GLU 83 1HG GLU 83 -12.481 -9.330 -4.907 664 H LYS 84 H LYS 84 -10.681 -6.675 -0.991 665 HA LYS 84 HA LYS 84 -12.203 -7.209 1.293 666 HB2 LYS 84 2HB LYS 84 -9.711 -7.476 1.013 667 HB3 LYS 84 1HB LYS 84 -9.570 -5.738 1.235 668 HG2 LYS 84 2HG LYS 84 -10.416 -5.881 3.464 669 HG3 LYS 84 1HG LYS 84 -10.817 -7.587 3.255 670 HD2 LYS 84 2HD LYS 84 -8.021 -6.472 3.078 671 HD3 LYS 84 1HD LYS 84 -8.715 -7.171 4.541 672 HE2 LYS 84 2HE LYS 84 -8.787 -9.309 3.640 673 HE3 LYS 84 1HE LYS 84 -8.722 -8.719 1.980 674 HZ1 LYS 84 3HZ LYS 84 -6.487 -8.659 3.934 675 HZ2 LYS 84 1HZ LYS 84 -6.422 -8.062 2.351 676 HZ3 LYS 84 2HZ LYS 84 -6.633 -9.718 2.623 677 H LYS 85 H LYS 85 -11.479 -4.215 -0.330 678 HA LYS 85 HA LYS 85 -11.865 -2.329 1.646 679 HB2 LYS 85 2HB LYS 85 -12.816 -2.182 -1.222 680 HB3 LYS 85 1HB LYS 85 -12.596 -0.809 -0.145 681 HG2 LYS 85 2HG LYS 85 -10.227 -1.170 -0.072 682 HG3 LYS 85 1HG LYS 85 -10.386 -2.673 -0.979 683 HD2 LYS 85 2HD LYS 85 -9.648 -0.997 -2.505 684 HD3 LYS 85 1HD LYS 85 -11.345 -1.324 -2.865 685 HE2 LYS 85 2HE LYS 85 -11.993 0.660 -1.578 686 HE3 LYS 85 1HE LYS 85 -10.295 0.986 -1.231 687 HZ1 LYS 85 3HZ LYS 85 -11.064 2.339 -3.059 688 HZ2 LYS 85 1HZ LYS 85 -11.554 0.968 -3.922 689 HZ3 LYS 85 2HZ LYS 85 -9.912 1.235 -3.617 690 H LYS 86 H LYS 86 -14.262 -4.219 -0.091 691 HA LYS 86 HA LYS 86 -16.591 -2.874 0.489 692 HB2 LYS 86 2HB LYS 86 -16.362 -4.937 -0.908 693 HB3 LYS 86 1HB LYS 86 -16.253 -5.874 0.574 694 HG2 LYS 86 2HG LYS 86 -18.483 -5.243 1.202 695 HG3 LYS 86 1HG LYS 86 -18.600 -4.147 -0.175 696 HD2 LYS 86 2HD LYS 86 -18.093 -7.091 -0.512 697 HD3 LYS 86 1HD LYS 86 -19.723 -6.428 -0.396 698 HE2 LYS 86 2HE LYS 86 -19.269 -6.584 -2.702 699 HE3 LYS 86 1HE LYS 86 -19.075 -4.879 -2.296 700 HZ1 LYS 86 3HZ LYS 86 -16.740 -5.083 -2.361 701 HZ2 LYS 86 1HZ LYS 86 -17.311 -5.851 -3.754 702 HZ3 LYS 86 2HZ LYS 86 -16.798 -6.772 -2.431 703 H GLU 87 H GLU 87 -14.902 -5.251 2.517 704 HA GLU 87 HA GLU 87 -16.769 -4.977 4.684 705 HB2 GLU 87 2HB GLU 87 -15.536 -7.076 4.277 706 HB3 GLU 87 1HB GLU 87 -14.027 -6.251 4.639 707 HG2 GLU 87 2HG GLU 87 -14.905 -5.776 6.916 708 HG3 GLU 87 1HG GLU 87 -16.304 -6.776 6.529 709 H ALA 88 H ALA 88 -13.713 -3.568 3.778 710 HA ALA 88 HA ALA 88 -12.831 -2.516 6.186 711 HB1 ALA 88 1HB ALA 88 -11.582 -2.489 4.040 712 HB2 ALA 88 2HB ALA 88 -11.564 -0.942 4.890 713 HB3 ALA 88 3HB ALA 88 -12.625 -1.171 3.499 714 H GLU 89 H GLU 89 -15.436 -1.490 4.135 715 HA GLU 89 HA GLU 89 -15.768 1.152 4.864 716 HB2 GLU 89 2HB GLU 89 -17.059 -0.296 3.158 717 HB3 GLU 89 1HB GLU 89 -18.115 -0.687 4.510 718 HG2 GLU 89 2HG GLU 89 -18.565 1.701 4.829 719 HG3 GLU 89 1HG GLU 89 -17.539 2.063 3.442 720 H ARG 90 H ARG 90 -17.221 -1.704 6.446 721 HA ARG 90 HA ARG 90 -18.425 -0.150 8.514 722 HB2 ARG 90 2HB ARG 90 -19.023 -2.273 9.523 723 HB3 ARG 90 1HB ARG 90 -19.335 -2.322 7.795 724 HG2 ARG 90 2HG ARG 90 -17.297 -3.596 7.444 725 HG3 ARG 90 1HG ARG 90 -16.932 -3.509 9.168 726 HD2 ARG 90 2HD ARG 90 -19.025 -4.718 9.642 727 HD3 ARG 90 1HD ARG 90 -19.326 -4.846 7.909 728 HE ARG 90 HE ARG 90 -16.803 -5.921 8.423 729 HH11 ARG 90 1HH1 ARG 90 -20.144 -6.585 9.157 730 HH12 ARG 90 2HH1 ARG 90 -19.914 -8.298 9.271 731 HH21 ARG 90 1HH2 ARG 90 -16.490 -8.179 8.569 732 HH22 ARG 90 2HH2 ARG 90 -17.839 -9.203 8.935 733 H LYS 91 H LYS 91 -15.254 -1.197 8.000 734 HA LYS 91 HA LYS 91 -14.529 -1.541 10.762 735 HB2 LYS 91 2HB LYS 91 -12.798 -1.188 8.310 736 HB3 LYS 91 1HB LYS 91 -12.213 -1.633 9.907 737 HG2 LYS 91 2HG LYS 91 -13.681 -3.658 9.783 738 HG3 LYS 91 1HG LYS 91 -14.004 -3.238 8.100 739 HD2 LYS 91 2HD LYS 91 -12.247 -4.835 8.081 740 HD3 LYS 91 1HD LYS 91 -11.511 -3.270 7.732 741 HE2 LYS 91 2HE LYS 91 -10.129 -4.467 9.303 742 HE3 LYS 91 1HE LYS 91 -10.867 -3.083 10.112 743 HZ1 LYS 91 3HZ LYS 91 -10.954 -5.073 11.483 744 HZ2 LYS 91 1HZ LYS 91 -11.825 -5.892 10.284 745 HZ3 LYS 91 2HZ LYS 91 -12.514 -4.563 11.072 746 H LEU 92 H LEU 92 -15.119 1.131 8.805 747 HA LEU 92 HA LEU 92 -13.403 2.865 10.450 748 HB2 LEU 92 2HB LEU 92 -14.545 3.140 7.698 749 HB3 LEU 92 1HB LEU 92 -14.156 4.581 8.616 750 HG LEU 92 HG LEU 92 -11.813 3.681 8.859 751 HD11 LEU 92 1HD1 LEU 92 -12.735 1.758 6.731 752 HD12 LEU 92 2HD1 LEU 92 -12.333 1.332 8.393 753 HD13 LEU 92 3HD1 LEU 92 -11.084 1.959 7.318 754 HD21 LEU 92 3HD2 LEU 92 -12.546 5.402 7.191 755 HD22 LEU 92 1HD2 LEU 92 -12.684 4.102 6.007 756 HD23 LEU 92 2HD2 LEU 92 -11.118 4.477 6.726 757 H MET 93 H MET 93 -16.319 1.657 10.688 758 HA MET 93 HA MET 93 -17.640 4.185 11.409 759 HB2 MET 93 2HB MET 93 -18.849 1.463 10.885 760 HB3 MET 93 1HB MET 93 -19.752 2.910 11.314 761 HG2 MET 93 2HG MET 93 -18.104 2.536 8.822 762 HG3 MET 93 1HG MET 93 -19.862 2.450 8.925 763 HE1 MET 93 3HE MET 93 -19.297 5.799 6.980 764 HE2 MET 93 1HE MET 93 -20.012 4.188 6.946 765 HE3 MET 93 2HE MET 93 -18.260 4.378 6.862 766 H THR 94 H THR 94 -15.996 1.618 12.731 767 HA THR 94 HA THR 94 -17.304 2.017 15.343 768 HB THR 94 HB THR 94 -16.695 -0.303 15.936 769 HG1 THR 94 1HG THR 94 -15.573 -0.196 13.383 770 HG21 THR 94 3HG2 THR 94 -18.393 -1.428 14.546 771 HG22 THR 94 1HG2 THR 94 -18.397 -0.043 13.454 772 HG23 THR 94 2HG2 THR 94 -18.941 0.146 15.121 773 H ASN 95 H ASN 95 -15.857 1.519 17.202 774 HA ASN 95 HA ASN 95 -13.283 2.779 16.770 775 HB2 ASN 95 2HB ASN 95 -14.628 1.828 19.309 776 HB3 ASN 95 1HB ASN 95 -13.114 2.726 19.245 777 HD21 ASN 95 1HD2 ASN 95 -13.141 4.901 18.718 778 HD22 ASN 95 2HD2 ASN 95 -14.592 5.836 18.726 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -7.667 -2.560 13.879 2 H2 MET 1 2HT MET 1 -9.272 -2.036 13.776 3 H3 MET 1 3HT MET 1 -8.511 -2.135 15.283 4 HA MET 1 HA MET 1 -8.675 0.151 14.515 5 HB2 MET 1 2HB MET 1 -5.853 -0.938 14.554 6 HB3 MET 1 1HB MET 1 -6.306 0.738 14.826 7 HG2 MET 1 2HG MET 1 -7.530 0.093 16.830 8 HG3 MET 1 1HG MET 1 -7.104 -1.595 16.553 9 HE1 MET 1 2HE MET 1 -4.945 -0.616 19.689 10 HE2 MET 1 3HE MET 1 -6.137 -1.744 19.042 11 HE3 MET 1 1HE MET 1 -6.572 -0.054 19.302 12 H GLU 2 H GLU 2 -7.821 1.792 13.073 13 HA GLU 2 HA GLU 2 -8.107 1.072 10.353 14 HB2 GLU 2 2HB GLU 2 -7.478 3.427 9.894 15 HB3 GLU 2 1HB GLU 2 -8.743 3.280 11.106 16 HG2 GLU 2 2HG GLU 2 -7.072 3.608 12.871 17 HG3 GLU 2 1HG GLU 2 -5.824 3.794 11.639 18 H SER 3 H SER 3 -5.345 1.456 12.447 19 HA SER 3 HA SER 3 -3.336 1.722 10.501 20 HB2 SER 3 2HB SER 3 -1.793 0.934 12.265 21 HB3 SER 3 1HB SER 3 -2.913 2.153 12.875 22 HG SER 3 HG SER 3 -3.743 -0.479 13.099 23 H GLU 4 H GLU 4 -5.088 -1.053 11.681 24 HA GLU 4 HA GLU 4 -3.304 -3.009 10.587 25 HB2 GLU 4 2HB GLU 4 -4.778 -3.522 12.486 26 HB3 GLU 4 1HB GLU 4 -6.186 -3.270 11.465 27 HG2 GLU 4 2HG GLU 4 -5.465 -5.148 10.048 28 HG3 GLU 4 1HG GLU 4 -4.105 -5.418 11.136 29 H TYR 5 H TYR 5 -6.144 -1.297 9.467 30 HA TYR 5 HA TYR 5 -6.704 -2.937 7.231 31 HB2 TYR 5 2HB TYR 5 -8.415 -1.463 8.020 32 HB3 TYR 5 1HB TYR 5 -7.373 -0.056 7.842 33 HD1 TYR 5 1HD TYR 5 -8.643 -2.846 5.687 34 HD2 TYR 5 2HD TYR 5 -7.846 1.317 6.060 35 HE1 TYR 5 1HE TYR 5 -9.534 -2.478 3.425 36 HE2 TYR 5 2HE TYR 5 -8.735 1.696 3.799 37 HH TYR 5 HH TYR 5 -9.100 0.430 1.729 38 H ARG 6 H ARG 6 -4.641 -0.107 7.674 39 HA ARG 6 HA ARG 6 -3.987 0.049 4.871 40 HB2 ARG 6 2HB ARG 6 -2.415 1.817 5.569 41 HB3 ARG 6 1HB ARG 6 -4.041 2.091 6.177 42 HG2 ARG 6 2HG ARG 6 -3.358 1.209 8.362 43 HG3 ARG 6 1HG ARG 6 -1.719 0.989 7.745 44 HD2 ARG 6 2HD ARG 6 -1.610 3.413 7.278 45 HD3 ARG 6 1HD ARG 6 -3.209 3.599 7.997 46 HE ARG 6 HE ARG 6 -1.438 2.315 9.801 47 HH11 ARG 6 1HH1 ARG 6 -2.206 5.432 8.443 48 HH12 ARG 6 2HH1 ARG 6 -1.595 6.317 9.800 49 HH21 ARG 6 1HH2 ARG 6 -0.633 3.471 11.590 50 HH22 ARG 6 2HH2 ARG 6 -0.699 5.201 11.590 51 H GLU 7 H GLU 7 -2.323 -0.970 7.829 52 HA GLU 7 HA GLU 7 0.167 -1.553 6.726 53 HB2 GLU 7 2HB GLU 7 -0.323 -1.454 9.149 54 HB3 GLU 7 1HB GLU 7 -1.212 -2.965 9.011 55 HG2 GLU 7 2HG GLU 7 0.806 -4.136 8.383 56 HG3 GLU 7 1HG GLU 7 1.714 -2.624 8.397 57 H MET 8 H MET 8 -2.624 -3.697 7.207 58 HA MET 8 HA MET 8 -1.393 -6.002 6.133 59 HB2 MET 8 2HB MET 8 -3.314 -6.171 7.597 60 HB3 MET 8 1HB MET 8 -4.310 -5.281 6.457 61 HG2 MET 8 2HG MET 8 -4.777 -7.669 6.402 62 HG3 MET 8 1HG MET 8 -4.152 -7.091 4.859 63 HE1 MET 8 3HE MET 8 -4.245 -10.257 5.783 64 HE2 MET 8 1HE MET 8 -2.729 -10.719 5.008 65 HE3 MET 8 2HE MET 8 -3.828 -9.597 4.203 66 H LEU 9 H LEU 9 -3.677 -3.677 4.679 67 HA LEU 9 HA LEU 9 -3.868 -4.943 2.188 68 HB2 LEU 9 2HB LEU 9 -5.350 -3.108 3.058 69 HB3 LEU 9 1HB LEU 9 -4.078 -1.975 2.639 70 HG LEU 9 HG LEU 9 -4.246 -2.722 0.270 71 HD11 LEU 9 1HD1 LEU 9 -6.635 -4.257 1.282 72 HD12 LEU 9 2HD1 LEU 9 -5.146 -4.945 0.635 73 HD13 LEU 9 3HD1 LEU 9 -6.214 -4.013 -0.414 74 HD21 LEU 9 3HD2 LEU 9 -6.682 -1.591 1.621 75 HD22 LEU 9 1HD2 LEU 9 -6.514 -1.693 -0.133 76 HD23 LEU 9 2HD2 LEU 9 -5.380 -0.724 0.807 77 H LEU 10 H LEU 10 -1.441 -2.782 3.463 78 HA LEU 10 HA LEU 10 -0.229 -2.261 0.907 79 HB2 LEU 10 2HB LEU 10 0.636 -1.721 3.737 80 HB3 LEU 10 1HB LEU 10 1.618 -1.301 2.347 81 HG LEU 10 HG LEU 10 -1.192 -0.282 2.709 82 HD11 LEU 10 1HD1 LEU 10 0.132 0.432 4.618 83 HD12 LEU 10 2HD1 LEU 10 -0.194 1.790 3.540 84 HD13 LEU 10 3HD1 LEU 10 1.394 1.023 3.538 85 HD21 LEU 10 3HD2 LEU 10 -0.321 -0.190 0.440 86 HD22 LEU 10 1HD2 LEU 10 1.127 0.637 1.014 87 HD23 LEU 10 2HD2 LEU 10 -0.443 1.431 1.123 88 H LEU 11 H LEU 11 0.959 -3.976 3.814 89 HA LEU 11 HA LEU 11 3.257 -5.020 2.676 90 HB2 LEU 11 2HB LEU 11 3.336 -6.571 4.499 91 HB3 LEU 11 1HB LEU 11 2.768 -5.023 5.082 92 HG LEU 11 HG LEU 11 0.394 -6.098 4.778 93 HD11 LEU 11 1HD1 LEU 11 0.984 -8.145 3.718 94 HD12 LEU 11 2HD1 LEU 11 0.498 -8.538 5.367 95 HD13 LEU 11 3HD1 LEU 11 2.207 -8.496 4.937 96 HD21 LEU 11 3HD2 LEU 11 0.501 -6.891 7.088 97 HD22 LEU 11 1HD2 LEU 11 1.349 -5.357 6.892 98 HD23 LEU 11 2HD2 LEU 11 2.263 -6.860 7.016 99 H THR 12 H THR 12 -0.026 -6.085 2.276 100 HA THR 12 HA THR 12 0.499 -8.733 1.440 101 HB THR 12 HB THR 12 -1.739 -8.417 0.165 102 HG1 THR 12 1HG THR 12 -1.526 -6.040 0.326 103 HG21 THR 12 3HG2 THR 12 -1.571 -9.631 2.256 104 HG22 THR 12 1HG2 THR 12 -3.005 -8.605 2.281 105 HG23 THR 12 2HG2 THR 12 -1.558 -8.119 3.165 106 H GLY 13 H GLY 13 1.499 -5.921 0.062 107 HA2 GLY 13 2HA GLY 13 1.592 -7.152 -2.621 108 HA3 GLY 13 1HA GLY 13 1.401 -5.422 -2.380 109 H LEU 14 H LEU 14 3.285 -5.068 -0.300 110 HA LEU 14 HA LEU 14 5.648 -4.718 -1.764 111 HB2 LEU 14 2HB LEU 14 5.078 -4.719 1.190 112 HB3 LEU 14 1HB LEU 14 6.699 -4.473 0.576 113 HG LEU 14 HG LEU 14 5.788 -2.330 1.057 114 HD11 LEU 14 1HD1 LEU 14 7.092 -2.417 -0.983 115 HD12 LEU 14 2HD1 LEU 14 5.788 -1.241 -1.140 116 HD13 LEU 14 3HD1 LEU 14 5.650 -2.818 -1.916 117 HD21 LEU 14 3HD2 LEU 14 3.418 -3.125 -0.630 118 HD22 LEU 14 1HD2 LEU 14 3.694 -1.527 0.065 119 HD23 LEU 14 2HD2 LEU 14 3.438 -2.916 1.122 120 H ASP 15 H ASP 15 4.793 -7.165 0.659 121 HA ASP 15 HA ASP 15 7.269 -8.595 0.287 122 HB2 ASP 15 2HB ASP 15 6.063 -8.468 2.480 123 HB3 ASP 15 1HB ASP 15 4.786 -9.461 1.785 124 H HIS 16 H HIS 16 4.879 -8.261 -1.771 125 HA HIS 16 HA HIS 16 4.936 -11.079 -2.632 126 HB2 HIS 16 2HB HIS 16 2.675 -9.087 -2.822 127 HB3 HIS 16 1HB HIS 16 2.697 -10.610 -3.703 128 HD1 HIS 16 1HD HIS 16 1.405 -12.386 -2.532 129 HD2 HIS 16 2HD HIS 16 3.086 -9.670 0.124 130 HE1 HIS 16 1HE HIS 16 0.675 -13.109 -0.222 131 H ILE 17 H ILE 17 6.523 -8.525 -3.309 132 HA ILE 17 HA ILE 17 6.276 -8.839 -6.225 133 HB ILE 17 HB ILE 17 6.889 -6.436 -6.480 134 HG12 ILE 17 2HG1 ILE 17 6.267 -6.335 -3.518 135 HG13 ILE 17 1HG1 ILE 17 7.850 -6.082 -4.246 136 HG21 ILE 17 1HG2 ILE 17 4.308 -7.000 -5.027 137 HG22 ILE 17 2HG2 ILE 17 4.596 -7.190 -6.755 138 HG23 ILE 17 3HG2 ILE 17 4.637 -5.585 -6.028 139 HD11 ILE 17 3HD1 ILE 17 6.834 -3.976 -3.631 140 HD12 ILE 17 1HD1 ILE 17 5.424 -4.341 -4.623 141 HD13 ILE 17 2HD1 ILE 17 6.996 -4.090 -5.382 142 H THR 18 H THR 18 8.201 -8.563 -7.425 143 HA THR 18 HA THR 18 10.517 -9.602 -6.204 144 HB THR 18 HB THR 18 11.652 -9.119 -8.340 145 HG1 THR 18 1HG THR 18 9.575 -8.267 -9.784 146 HG21 THR 18 3HG2 THR 18 10.212 -10.491 -9.778 147 HG22 THR 18 1HG2 THR 18 8.866 -10.241 -8.667 148 HG23 THR 18 2HG2 THR 18 10.289 -11.140 -8.140 149 H GLU 19 H GLU 19 12.714 -8.466 -6.566 150 HA GLU 19 HA GLU 19 12.774 -6.188 -4.882 151 HB2 GLU 19 2HB GLU 19 14.961 -7.332 -6.629 152 HB3 GLU 19 1HB GLU 19 15.191 -6.184 -5.317 153 HG2 GLU 19 2HG GLU 19 14.377 -7.838 -3.720 154 HG3 GLU 19 1HG GLU 19 14.131 -8.987 -5.033 155 H GLU 20 H GLU 20 13.227 -6.619 -8.371 156 HA GLU 20 HA GLU 20 13.942 -3.963 -8.957 157 HB2 GLU 20 2HB GLU 20 13.248 -4.529 -11.288 158 HB3 GLU 20 1HB GLU 20 14.370 -5.677 -10.572 159 HG2 GLU 20 2HG GLU 20 12.466 -7.164 -10.063 160 HG3 GLU 20 1HG GLU 20 11.398 -6.028 -10.887 161 H GLU 21 H GLU 21 10.778 -5.584 -9.012 162 HA GLU 21 HA GLU 21 9.351 -3.270 -9.851 163 HB2 GLU 21 2HB GLU 21 8.353 -5.758 -8.450 164 HB3 GLU 21 1HB GLU 21 7.337 -4.551 -9.223 165 HG2 GLU 21 2HG GLU 21 9.379 -6.278 -10.603 166 HG3 GLU 21 1HG GLU 21 7.632 -6.516 -10.629 167 H LEU 22 H LEU 22 10.382 -4.516 -6.780 168 HA LEU 22 HA LEU 22 8.645 -3.172 -5.057 169 HB2 LEU 22 2HB LEU 22 10.175 -4.932 -4.326 170 HB3 LEU 22 1HB LEU 22 11.549 -3.899 -4.662 171 HG LEU 22 HG LEU 22 10.802 -2.351 -2.888 172 HD11 LEU 22 1HD1 LEU 22 8.419 -2.804 -2.944 173 HD12 LEU 22 2HD1 LEU 22 9.059 -3.081 -1.324 174 HD13 LEU 22 3HD1 LEU 22 8.700 -4.450 -2.376 175 HD21 LEU 22 3HD2 LEU 22 11.140 -5.221 -2.032 176 HD22 LEU 22 1HD2 LEU 22 11.366 -3.810 -0.999 177 HD23 LEU 22 2HD2 LEU 22 12.434 -4.074 -2.378 178 H LYS 23 H LYS 23 11.574 -2.084 -6.679 179 HA LYS 23 HA LYS 23 11.667 0.423 -5.279 180 HB2 LYS 23 2HB LYS 23 13.090 -0.422 -7.809 181 HB3 LYS 23 1HB LYS 23 13.468 0.992 -6.834 182 HG2 LYS 23 2HG LYS 23 14.085 -0.455 -4.966 183 HG3 LYS 23 1HG LYS 23 13.703 -1.875 -5.941 184 HD2 LYS 23 2HD LYS 23 15.430 -1.201 -7.561 185 HD3 LYS 23 1HD LYS 23 15.829 0.182 -6.539 186 HE2 LYS 23 2HE LYS 23 17.398 -1.637 -6.168 187 HE3 LYS 23 1HE LYS 23 16.433 -1.344 -4.721 188 HZ1 LYS 23 3HZ LYS 23 15.038 -3.224 -5.312 189 HZ2 LYS 23 1HZ LYS 23 16.656 -3.704 -5.179 190 HZ3 LYS 23 2HZ LYS 23 15.956 -3.502 -6.706 191 H ARG 24 H ARG 24 10.351 -0.739 -8.318 192 HA ARG 24 HA ARG 24 9.913 1.757 -9.542 193 HB2 ARG 24 2HB ARG 24 9.822 -0.383 -10.757 194 HB3 ARG 24 1HB ARG 24 8.352 -0.807 -9.891 195 HG2 ARG 24 2HG ARG 24 7.194 1.082 -10.906 196 HG3 ARG 24 1HG ARG 24 8.672 1.534 -11.759 197 HD2 ARG 24 2HD ARG 24 8.643 -0.585 -12.958 198 HD3 ARG 24 1HD ARG 24 7.198 -1.078 -12.076 199 HE ARG 24 HE ARG 24 6.712 1.369 -13.380 200 HH11 ARG 24 1HH1 ARG 24 7.186 -2.012 -14.082 201 HH12 ARG 24 2HH1 ARG 24 6.228 -1.978 -15.525 202 HH21 ARG 24 1HH2 ARG 24 5.448 1.420 -15.276 203 HH22 ARG 24 2HH2 ARG 24 5.243 -0.028 -16.204 204 H PHE 25 H PHE 25 7.818 -0.225 -7.467 205 HA PHE 25 HA PHE 25 5.516 1.348 -7.647 206 HB2 PHE 25 2HB PHE 25 5.364 -0.831 -6.665 207 HB3 PHE 25 1HB PHE 25 6.536 -0.416 -5.418 208 HD1 PHE 25 2HD PHE 25 3.245 0.788 -6.710 209 HD2 PHE 25 1HD PHE 25 5.730 0.072 -3.330 210 HE1 PHE 25 2HE PHE 25 1.414 1.482 -5.221 211 HE2 PHE 25 1HE PHE 25 3.904 0.767 -1.835 212 HZ PHE 25 HZ PHE 25 1.742 1.473 -2.781 213 H LYS 26 H LYS 26 7.984 1.379 -5.063 214 HA LYS 26 HA LYS 26 6.975 3.585 -3.678 215 HB2 LYS 26 2HB LYS 26 9.810 2.564 -3.905 216 HB3 LYS 26 1HB LYS 26 9.287 3.779 -2.746 217 HG2 LYS 26 2HG LYS 26 7.973 2.249 -1.560 218 HG3 LYS 26 1HG LYS 26 8.005 1.074 -2.877 219 HD2 LYS 26 2HD LYS 26 9.475 0.290 -1.168 220 HD3 LYS 26 1HD LYS 26 10.468 0.853 -2.513 221 HE2 LYS 26 2HE LYS 26 11.487 1.660 -0.534 222 HE3 LYS 26 1HE LYS 26 10.691 3.037 -1.289 223 HZ1 LYS 26 3HZ LYS 26 8.856 2.787 0.251 224 HZ2 LYS 26 1HZ LYS 26 10.309 2.972 1.099 225 HZ3 LYS 26 2HZ LYS 26 9.597 1.443 0.964 226 H TYR 27 H TYR 27 9.185 3.390 -6.404 227 HA TYR 27 HA TYR 27 9.915 6.139 -6.415 228 HB2 TYR 27 2HB TYR 27 11.273 4.399 -7.508 229 HB3 TYR 27 1HB TYR 27 9.975 4.111 -8.661 230 HD1 TYR 27 1HD TYR 27 12.544 6.531 -7.581 231 HD2 TYR 27 2HD TYR 27 9.659 5.538 -10.545 232 HE1 TYR 27 1HE TYR 27 13.491 8.245 -9.068 233 HE2 TYR 27 2HE TYR 27 10.597 7.249 -12.040 234 HH TYR 27 HH TYR 27 13.585 8.722 -11.503 235 H PHE 28 H PHE 28 7.195 4.363 -7.622 236 HA PHE 28 HA PHE 28 6.360 6.384 -9.492 237 HB2 PHE 28 2HB PHE 28 5.850 3.796 -9.444 238 HB3 PHE 28 1HB PHE 28 4.496 4.297 -8.437 239 HD1 PHE 28 2HD PHE 28 2.689 5.628 -9.354 240 HD2 PHE 28 1HD PHE 28 5.949 4.363 -11.779 241 HE1 PHE 28 2HE PHE 28 1.398 6.189 -11.372 242 HE2 PHE 28 1HE PHE 28 4.664 4.922 -13.803 243 HZ PHE 28 HZ PHE 28 2.386 5.836 -13.601 244 H ALA 29 H ALA 29 5.083 5.178 -6.389 245 HA ALA 29 HA ALA 29 3.091 7.158 -6.129 246 HB1 ALA 29 1HB ALA 29 2.939 5.098 -4.891 247 HB2 ALA 29 2HB ALA 29 3.004 6.449 -3.758 248 HB3 ALA 29 3HB ALA 29 4.437 5.461 -4.033 249 H LEU 30 H LEU 30 6.305 6.877 -4.606 250 HA LEU 30 HA LEU 30 6.077 9.621 -3.644 251 HB2 LEU 30 2HB LEU 30 8.284 7.601 -3.222 252 HB3 LEU 30 1HB LEU 30 8.168 9.165 -2.444 253 HG LEU 30 HG LEU 30 7.488 7.584 -0.834 254 HD11 LEU 30 1HD1 LEU 30 6.068 9.557 -0.915 255 HD12 LEU 30 2HD1 LEU 30 5.156 8.138 -0.399 256 HD13 LEU 30 3HD1 LEU 30 4.987 8.745 -2.047 257 HD21 LEU 30 3HD2 LEU 30 5.848 5.857 -1.195 258 HD22 LEU 30 1HD2 LEU 30 7.125 5.714 -2.402 259 HD23 LEU 30 2HD2 LEU 30 5.569 6.416 -2.843 260 H THR 31 H THR 31 6.249 10.804 -5.554 261 HA THR 31 HA THR 31 8.643 10.475 -7.184 262 HB THR 31 HB THR 31 7.653 12.176 -8.655 263 HG1 THR 31 1HG THR 31 6.213 13.473 -7.822 264 HG21 THR 31 3HG2 THR 31 7.047 9.832 -8.994 265 HG22 THR 31 1HG2 THR 31 5.694 10.894 -9.389 266 HG23 THR 31 2HG2 THR 31 5.706 10.008 -7.863 267 H GLU 32 H GLU 32 7.029 13.025 -5.311 268 HA GLU 32 HA GLU 32 9.464 14.640 -5.382 269 HB2 GLU 32 2HB GLU 32 6.737 15.324 -4.270 270 HB3 GLU 32 1HB GLU 32 8.082 16.436 -4.485 271 HG2 GLU 32 2HG GLU 32 7.956 16.172 -6.888 272 HG3 GLU 32 1HG GLU 32 6.665 14.985 -6.709 273 H PHE 33 H PHE 33 7.815 12.466 -3.348 274 HA PHE 33 HA PHE 33 8.710 13.561 -0.846 275 HB2 PHE 33 2HB PHE 33 7.678 10.781 -1.434 276 HB3 PHE 33 1HB PHE 33 7.800 11.541 0.148 277 HD1 PHE 33 2HD PHE 33 6.283 13.376 0.762 278 HD2 PHE 33 1HD PHE 33 5.871 11.257 -2.906 279 HE1 PHE 33 2HE PHE 33 4.000 14.258 0.513 280 HE2 PHE 33 1HE PHE 33 3.588 12.137 -3.161 281 HZ PHE 33 HZ PHE 33 2.648 13.638 -1.451 282 H GLN 34 H GLN 34 10.012 11.463 -3.245 283 HA GLN 34 HA GLN 34 11.892 10.173 -3.363 284 HB2 GLN 34 2HB GLN 34 12.769 12.529 -3.189 285 HB3 GLN 34 1HB GLN 34 13.020 12.242 -1.472 286 HG2 GLN 34 2HG GLN 34 15.096 11.934 -2.594 287 HG3 GLN 34 1HG GLN 34 14.518 10.355 -2.066 288 HE21 GLN 34 1HE2 GLN 34 13.814 8.867 -3.595 289 HE22 GLN 34 2HE2 GLN 34 14.174 9.034 -5.277 290 H ILE 35 H ILE 35 10.570 8.599 -2.014 291 HA ILE 35 HA ILE 35 10.904 8.245 0.719 292 HB ILE 35 HB ILE 35 9.385 6.981 -0.969 293 HG12 ILE 35 2HG1 ILE 35 9.389 4.955 0.630 294 HG13 ILE 35 1HG1 ILE 35 10.667 5.809 1.488 295 HG21 ILE 35 1HG2 ILE 35 10.185 4.769 -1.602 296 HG22 ILE 35 2HG2 ILE 35 11.765 5.133 -0.910 297 HG23 ILE 35 3HG2 ILE 35 11.188 6.035 -2.313 298 HD11 ILE 35 3HD1 ILE 35 8.542 6.238 2.531 299 HD12 ILE 35 1HD1 ILE 35 7.868 6.800 1.002 300 HD13 ILE 35 2HD1 ILE 35 9.149 7.720 1.792 301 H ALA 36 H ALA 36 12.206 6.643 1.883 302 HA ALA 36 HA ALA 36 14.933 6.560 0.806 303 HB1 ALA 36 1HB ALA 36 13.983 6.175 3.640 304 HB2 ALA 36 2HB ALA 36 14.630 7.670 2.963 305 HB3 ALA 36 3HB ALA 36 15.662 6.246 3.104 306 H ARG 37 H ARG 37 15.857 4.724 0.201 307 HA ARG 37 HA ARG 37 14.466 2.269 0.140 308 HB2 ARG 37 2HB ARG 37 16.546 1.342 -0.759 309 HB3 ARG 37 1HB ARG 37 16.157 2.875 -1.528 310 HG2 ARG 37 2HG ARG 37 17.823 4.020 -0.284 311 HG3 ARG 37 1HG ARG 37 18.083 2.627 0.768 312 HD2 ARG 37 2HD ARG 37 18.702 2.789 -2.181 313 HD3 ARG 37 1HD ARG 37 19.872 2.812 -0.862 314 HE ARG 37 HE ARG 37 18.341 0.480 -0.644 315 HH11 ARG 37 1HH1 ARG 37 20.714 1.911 -2.757 316 HH12 ARG 37 2HH1 ARG 37 21.348 0.389 -3.288 317 HH21 ARG 37 1HH2 ARG 37 19.165 -1.529 -1.343 318 HH22 ARG 37 2HH2 ARG 37 20.465 -1.566 -2.487 319 H SER 38 H SER 38 16.505 3.722 2.506 320 HA SER 38 HA SER 38 17.571 1.462 3.763 321 HB2 SER 38 2HB SER 38 18.303 3.752 4.279 322 HB3 SER 38 1HB SER 38 16.736 4.091 5.013 323 HG SER 38 HG SER 38 17.193 2.654 6.636 324 H THR 39 H THR 39 14.408 2.924 3.937 325 HA THR 39 HA THR 39 13.531 1.448 6.235 326 HB THR 39 HB THR 39 11.336 2.372 5.778 327 HG1 THR 39 1HG THR 39 10.870 3.383 3.868 328 HG21 THR 39 3HG2 THR 39 11.886 4.769 5.805 329 HG22 THR 39 1HG2 THR 39 13.525 4.393 5.272 330 HG23 THR 39 2HG2 THR 39 12.965 3.845 6.851 331 H LEU 40 H LEU 40 13.799 0.784 2.904 332 HA LEU 40 HA LEU 40 11.731 -0.812 2.183 333 HB2 LEU 40 2HB LEU 40 13.995 -0.218 1.021 334 HB3 LEU 40 1HB LEU 40 14.512 -1.768 1.653 335 HG LEU 40 HG LEU 40 12.569 -2.811 0.444 336 HD11 LEU 40 1HD1 LEU 40 12.400 -0.054 -0.764 337 HD12 LEU 40 2HD1 LEU 40 11.163 -0.862 0.200 338 HD13 LEU 40 3HD1 LEU 40 11.586 -1.488 -1.394 339 HD21 LEU 40 3HD2 LEU 40 13.653 -2.660 -1.772 340 HD22 LEU 40 1HD2 LEU 40 14.803 -2.942 -0.465 341 HD23 LEU 40 2HD2 LEU 40 14.643 -1.331 -1.167 342 H ASP 41 H ASP 41 14.045 -1.524 4.654 343 HA ASP 41 HA ASP 41 13.946 -4.307 4.739 344 HB2 ASP 41 2HB ASP 41 15.500 -2.873 6.053 345 HB3 ASP 41 1HB ASP 41 14.157 -2.433 7.103 346 H VAL 42 H VAL 42 11.958 -1.996 6.602 347 HA VAL 42 HA VAL 42 9.901 -4.100 6.845 348 HB VAL 42 HB VAL 42 9.265 -2.970 9.021 349 HG11 VAL 42 1HG1 VAL 42 11.953 -4.335 8.845 350 HG12 VAL 42 2HG1 VAL 42 10.382 -5.126 8.986 351 HG13 VAL 42 3HG1 VAL 42 11.000 -4.148 10.317 352 HG21 VAL 42 3HG2 VAL 42 11.998 -1.745 8.678 353 HG22 VAL 42 1HG2 VAL 42 11.043 -1.708 10.161 354 HG23 VAL 42 2HG2 VAL 42 10.458 -0.886 8.715 355 H ALA 43 H ALA 43 10.432 -1.588 5.117 356 HA ALA 43 HA ALA 43 8.646 0.427 5.649 357 HB1 ALA 43 1HB ALA 43 9.198 -0.569 2.882 358 HB2 ALA 43 2HB ALA 43 10.358 0.366 3.825 359 HB3 ALA 43 3HB ALA 43 8.800 1.070 3.393 360 H ASP 44 H ASP 44 7.923 -2.752 4.417 361 HA ASP 44 HA ASP 44 5.478 -2.181 3.202 362 HB2 ASP 44 2HB ASP 44 4.938 -4.580 3.630 363 HB3 ASP 44 1HB ASP 44 6.513 -4.323 2.885 364 H ARG 45 H ARG 45 5.999 -3.340 6.572 365 HA ARG 45 HA ARG 45 3.216 -2.881 7.136 366 HB2 ARG 45 2HB ARG 45 3.851 -3.600 9.465 367 HB3 ARG 45 1HB ARG 45 4.110 -4.771 8.182 368 HG2 ARG 45 2HG ARG 45 6.510 -4.114 8.150 369 HG3 ARG 45 1HG ARG 45 6.196 -3.088 9.551 370 HD2 ARG 45 2HD ARG 45 7.117 -5.252 10.214 371 HD3 ARG 45 1HD ARG 45 5.485 -5.021 10.838 372 HE ARG 45 HE ARG 45 5.239 -6.370 8.431 373 HH11 ARG 45 1HH1 ARG 45 6.689 -6.918 11.555 374 HH12 ARG 45 2HH1 ARG 45 6.499 -8.638 11.483 375 HH21 ARG 45 1HH2 ARG 45 4.989 -8.633 8.331 376 HH22 ARG 45 2HH2 ARG 45 5.531 -9.612 9.653 377 H THR 46 H THR 46 6.159 -1.543 8.676 378 HA THR 46 HA THR 46 4.573 0.397 10.092 379 HB THR 46 HB THR 46 6.716 1.078 11.122 380 HG1 THR 46 1HG THR 46 8.510 0.464 10.194 381 HG21 THR 46 3HG2 THR 46 5.319 -0.678 12.107 382 HG22 THR 46 1HG2 THR 46 7.032 -1.003 12.368 383 HG23 THR 46 2HG2 THR 46 6.144 -1.889 11.128 384 H GLU 47 H GLU 47 7.358 0.780 7.872 385 HA GLU 47 HA GLU 47 7.259 3.602 8.045 386 HB2 GLU 47 2HB GLU 47 8.937 1.602 6.847 387 HB3 GLU 47 1HB GLU 47 8.731 2.981 5.766 388 HG2 GLU 47 2HG GLU 47 10.682 3.205 7.236 389 HG3 GLU 47 1HG GLU 47 9.501 4.488 7.485 390 H LEU 48 H LEU 48 6.557 1.601 5.125 391 HA LEU 48 HA LEU 48 5.759 3.736 3.542 392 HB2 LEU 48 2HB LEU 48 4.957 0.844 3.504 393 HB3 LEU 48 1HB LEU 48 4.264 1.989 2.373 394 HG LEU 48 HG LEU 48 7.221 1.461 2.642 395 HD11 LEU 48 1HD1 LEU 48 7.008 0.222 0.549 396 HD12 LEU 48 2HD1 LEU 48 5.258 0.437 0.597 397 HD13 LEU 48 3HD1 LEU 48 6.064 -0.525 1.837 398 HD21 LEU 48 3HD2 LEU 48 7.314 2.631 0.463 399 HD22 LEU 48 1HD2 LEU 48 6.762 3.663 1.783 400 HD23 LEU 48 2HD2 LEU 48 5.600 3.010 0.628 401 H ALA 49 H ALA 49 3.821 1.770 5.738 402 HA ALA 49 HA ALA 49 1.302 2.763 5.141 403 HB1 ALA 49 1HB ALA 49 0.636 2.050 7.362 404 HB2 ALA 49 2HB ALA 49 2.325 1.968 7.863 405 HB3 ALA 49 3HB ALA 49 1.716 0.863 6.631 406 H ASP 50 H ASP 50 3.507 3.968 7.678 407 HA ASP 50 HA ASP 50 1.852 6.143 8.406 408 HB2 ASP 50 2HB ASP 50 3.521 5.218 9.925 409 HB3 ASP 50 1HB ASP 50 4.813 5.729 8.845 410 H HIS 51 H HIS 51 4.431 5.824 6.045 411 HA HIS 51 HA HIS 51 4.827 8.617 5.664 412 HB2 HIS 51 2HB HIS 51 5.748 6.130 4.328 413 HB3 HIS 51 1HB HIS 51 5.870 7.635 3.426 414 HD1 HIS 51 1HD HIS 51 7.409 9.530 4.554 415 HD2 HIS 51 2HD HIS 51 7.647 5.739 6.236 416 HE1 HIS 51 1HE HIS 51 9.501 9.514 5.974 417 H LEU 52 H LEU 52 3.297 6.199 3.501 418 HA LEU 52 HA LEU 52 2.491 8.095 1.600 419 HB2 LEU 52 2HB LEU 52 1.093 6.357 0.656 420 HB3 LEU 52 1HB LEU 52 2.679 5.742 1.069 421 HG LEU 52 HG LEU 52 1.373 5.047 3.304 422 HD11 LEU 52 1HD1 LEU 52 -0.851 4.215 2.724 423 HD12 LEU 52 2HD1 LEU 52 -0.717 4.961 1.132 424 HD13 LEU 52 3HD1 LEU 52 -0.761 5.969 2.578 425 HD21 LEU 52 3HD2 LEU 52 1.138 2.824 2.304 426 HD22 LEU 52 1HD2 LEU 52 2.678 3.571 1.881 427 HD23 LEU 52 2HD2 LEU 52 1.366 3.523 0.702 428 H ILE 53 H ILE 53 0.860 6.977 4.520 429 HA ILE 53 HA ILE 53 -1.723 7.865 3.906 430 HB ILE 53 HB ILE 53 -0.304 7.540 6.537 431 HG12 ILE 53 2HG1 ILE 53 -0.854 5.439 5.618 432 HG13 ILE 53 1HG1 ILE 53 -2.135 5.764 6.778 433 HG21 ILE 53 1HG2 ILE 53 -3.142 8.449 6.120 434 HG22 ILE 53 2HG2 ILE 53 -1.846 9.335 6.920 435 HG23 ILE 53 3HG2 ILE 53 -2.493 7.867 7.652 436 HD11 ILE 53 3HD1 ILE 53 -2.263 5.935 3.786 437 HD12 ILE 53 1HD1 ILE 53 -3.514 6.582 4.846 438 HD13 ILE 53 2HD1 ILE 53 -3.154 4.858 4.861 439 H GLN 54 H GLN 54 1.015 9.620 5.291 440 HA GLN 54 HA GLN 54 -0.307 11.975 5.986 441 HB2 GLN 54 2HB GLN 54 2.529 11.586 5.026 442 HB3 GLN 54 1HB GLN 54 1.920 13.065 5.756 443 HG2 GLN 54 2HG GLN 54 1.364 11.763 7.794 444 HG3 GLN 54 1HG GLN 54 2.138 10.363 7.057 445 HE21 GLN 54 1HE2 GLN 54 3.277 13.643 6.671 446 HE22 GLN 54 2HE2 GLN 54 4.734 13.451 7.579 447 H SER 55 H SER 55 0.620 10.772 2.868 448 HA SER 55 HA SER 55 0.790 13.124 1.396 449 HB2 SER 55 2HB SER 55 1.407 10.959 0.465 450 HB3 SER 55 1HB SER 55 -0.275 10.432 0.518 451 HG SER 55 HG SER 55 0.356 11.187 -1.560 452 H ALA 56 H ALA 56 -2.126 11.054 1.745 453 HA ALA 56 HA ALA 56 -3.723 13.477 1.203 454 HB1 ALA 56 1HB ALA 56 -5.356 12.104 0.039 455 HB2 ALA 56 2HB ALA 56 -4.376 10.667 0.331 456 HB3 ALA 56 3HB ALA 56 -3.766 11.954 -0.710 457 H GLY 57 H GLY 57 -3.519 10.430 2.956 458 HA2 GLY 57 2HA GLY 57 -4.519 11.127 5.339 459 HA3 GLY 57 1HA GLY 57 -5.990 10.953 4.394 460 H ALA 58 H ALA 58 -5.961 9.344 6.437 461 HA ALA 58 HA ALA 58 -4.551 6.922 6.173 462 HB1 ALA 58 1HB ALA 58 -5.598 7.742 8.265 463 HB2 ALA 58 2HB ALA 58 -5.982 6.064 7.885 464 HB3 ALA 58 3HB ALA 58 -7.174 7.331 7.588 465 H ALA 59 H ALA 59 -8.082 7.308 5.803 466 HA ALA 59 HA ALA 59 -8.360 4.865 4.402 467 HB1 ALA 59 1HB ALA 59 -10.668 5.522 4.065 468 HB2 ALA 59 2HB ALA 59 -10.286 7.178 4.535 469 HB3 ALA 59 3HB ALA 59 -10.163 5.875 5.718 470 H SER 60 H SER 60 -7.950 8.187 3.325 471 HA SER 60 HA SER 60 -8.732 7.803 0.644 472 HB2 SER 60 2HB SER 60 -7.543 9.920 0.206 473 HB3 SER 60 1HB SER 60 -8.574 10.024 1.633 474 HG SER 60 HG SER 60 -6.637 9.574 2.871 475 H ALA 61 H ALA 61 -5.434 7.990 2.020 476 HA ALA 61 HA ALA 61 -4.082 7.429 -0.360 477 HB1 ALA 61 1HB ALA 61 -2.979 8.368 1.596 478 HB2 ALA 61 2HB ALA 61 -2.150 6.916 1.032 479 HB3 ALA 61 3HB ALA 61 -3.189 6.844 2.455 480 H VAL 62 H VAL 62 -5.213 5.205 2.172 481 HA VAL 62 HA VAL 62 -4.038 2.881 1.112 482 HB VAL 62 HB VAL 62 -6.562 3.101 2.761 483 HG11 VAL 62 1HG1 VAL 62 -4.738 0.749 2.256 484 HG12 VAL 62 2HG1 VAL 62 -6.396 0.929 1.684 485 HG13 VAL 62 3HG1 VAL 62 -6.070 0.778 3.410 486 HG21 VAL 62 3HG2 VAL 62 -3.739 2.558 3.660 487 HG22 VAL 62 1HG2 VAL 62 -5.164 2.763 4.679 488 HG23 VAL 62 2HG2 VAL 62 -4.530 4.129 3.764 489 H THR 63 H THR 63 -6.995 4.565 0.305 490 HA THR 63 HA THR 63 -8.154 2.439 -1.207 491 HB THR 63 HB THR 63 -8.720 5.409 -1.308 492 HG1 THR 63 1HG THR 63 -10.320 3.419 -0.088 493 HG21 THR 63 3HG2 THR 63 -9.486 4.329 -3.343 494 HG22 THR 63 1HG2 THR 63 -10.868 4.729 -2.324 495 HG23 THR 63 2HG2 THR 63 -10.283 3.067 -2.403 496 H LYS 64 H LYS 64 -6.375 5.389 -2.097 497 HA LYS 64 HA LYS 64 -6.409 4.836 -4.891 498 HB2 LYS 64 2HB LYS 64 -4.807 6.669 -5.076 499 HB3 LYS 64 1HB LYS 64 -6.142 7.113 -4.021 500 HG2 LYS 64 2HG LYS 64 -4.834 7.212 -2.171 501 HG3 LYS 64 1HG LYS 64 -3.731 5.960 -2.747 502 HD2 LYS 64 2HD LYS 64 -2.816 7.567 -4.383 503 HD3 LYS 64 1HD LYS 64 -3.869 8.815 -3.711 504 HE2 LYS 64 2HE LYS 64 -1.564 8.924 -2.832 505 HE3 LYS 64 1HE LYS 64 -2.766 8.654 -1.571 506 HZ1 LYS 64 3HZ LYS 64 -2.213 6.306 -1.591 507 HZ2 LYS 64 1HZ LYS 64 -0.833 7.235 -1.280 508 HZ3 LYS 64 2HZ LYS 64 -1.069 6.556 -2.812 509 H ALA 65 H ALA 65 -4.393 3.863 -2.258 510 HA ALA 65 HA ALA 65 -1.995 3.288 -3.547 511 HB1 ALA 65 1HB ALA 65 -2.282 3.213 -1.117 512 HB2 ALA 65 2HB ALA 65 -1.569 1.720 -1.732 513 HB3 ALA 65 3HB ALA 65 -3.273 1.763 -1.278 514 H ILE 66 H ILE 66 -5.031 1.583 -3.530 515 HA ILE 66 HA ILE 66 -4.094 -0.897 -4.534 516 HB ILE 66 HB ILE 66 -6.832 0.371 -4.661 517 HG12 ILE 66 2HG1 ILE 66 -5.975 -0.157 -2.395 518 HG13 ILE 66 1HG1 ILE 66 -7.378 -1.127 -2.828 519 HG21 ILE 66 1HG2 ILE 66 -6.694 -1.207 -6.458 520 HG22 ILE 66 2HG2 ILE 66 -7.646 -1.926 -5.159 521 HG23 ILE 66 3HG2 ILE 66 -5.971 -2.420 -5.401 522 HD11 ILE 66 3HD1 ILE 66 -5.919 -3.015 -3.332 523 HD12 ILE 66 1HD1 ILE 66 -5.703 -2.453 -1.674 524 HD13 ILE 66 2HD1 ILE 66 -4.511 -2.041 -2.907 525 H ASN 67 H ASN 67 -5.342 2.026 -6.096 526 HA ASN 67 HA ASN 67 -5.391 0.941 -8.720 527 HB2 ASN 67 2HB ASN 67 -5.263 3.836 -7.860 528 HB3 ASN 67 1HB ASN 67 -5.716 3.250 -9.458 529 HD21 ASN 67 1HD2 ASN 67 -7.715 2.300 -9.765 530 HD22 ASN 67 2HD2 ASN 67 -8.984 2.418 -8.599 531 H ILE 68 H ILE 68 -2.962 2.742 -6.895 532 HA ILE 68 HA ILE 68 -1.231 3.157 -9.128 533 HB ILE 68 HB ILE 68 -0.584 3.242 -6.179 534 HG12 ILE 68 2HG1 ILE 68 -1.227 5.519 -8.064 535 HG13 ILE 68 1HG1 ILE 68 -2.385 4.811 -6.943 536 HG21 ILE 68 1HG2 ILE 68 0.920 4.328 -8.558 537 HG22 ILE 68 2HG2 ILE 68 1.418 2.986 -7.526 538 HG23 ILE 68 3HG2 ILE 68 1.335 4.619 -6.868 539 HD11 ILE 68 3HD1 ILE 68 0.185 6.180 -6.184 540 HD12 ILE 68 1HD1 ILE 68 -0.992 5.489 -5.067 541 HD13 ILE 68 2HD1 ILE 68 -1.434 6.870 -6.070 542 H PHE 69 H PHE 69 -1.243 0.832 -6.444 543 HA PHE 69 HA PHE 69 1.151 -0.472 -7.246 544 HB2 PHE 69 2HB PHE 69 0.449 -0.575 -4.941 545 HB3 PHE 69 1HB PHE 69 -1.071 -1.337 -5.392 546 HD1 PHE 69 1HD PHE 69 2.602 -1.849 -5.383 547 HD2 PHE 69 2HD PHE 69 -1.248 -3.656 -5.527 548 HE1 PHE 69 1HE PHE 69 3.635 -4.065 -5.115 549 HE2 PHE 69 2HE PHE 69 -0.220 -5.875 -5.259 550 HZ PHE 69 HZ PHE 69 2.224 -6.082 -5.053 551 H GLN 70 H GLN 70 -2.243 -0.987 -8.018 552 HA GLN 70 HA GLN 70 -1.904 -3.620 -9.021 553 HB2 GLN 70 2HB GLN 70 -4.140 -3.430 -9.892 554 HB3 GLN 70 1HB GLN 70 -4.085 -2.716 -8.293 555 HG2 GLN 70 2HG GLN 70 -3.954 -0.481 -9.355 556 HG3 GLN 70 1HG GLN 70 -4.165 -1.263 -10.922 557 HE21 GLN 70 1HE2 GLN 70 -6.088 -0.202 -11.334 558 HE22 GLN 70 2HE2 GLN 70 -7.554 -0.588 -10.508 559 H LYS 71 H LYS 71 -2.422 -0.573 -10.802 560 HA LYS 71 HA LYS 71 -1.972 -1.703 -13.339 561 HB2 LYS 71 2HB LYS 71 -3.191 0.431 -12.850 562 HB3 LYS 71 1HB LYS 71 -1.636 1.187 -12.539 563 HG2 LYS 71 2HG LYS 71 -0.951 0.711 -14.843 564 HG3 LYS 71 1HG LYS 71 -2.526 -0.024 -15.150 565 HD2 LYS 71 2HD LYS 71 -2.514 2.243 -15.990 566 HD3 LYS 71 1HD LYS 71 -3.598 2.137 -14.603 567 HE2 LYS 71 2HE LYS 71 -2.227 4.162 -14.520 568 HE3 LYS 71 1HE LYS 71 -1.877 3.087 -13.166 569 HZ1 LYS 71 3HZ LYS 71 -0.255 3.300 -15.646 570 HZ2 LYS 71 1HZ LYS 71 0.092 2.319 -14.312 571 HZ3 LYS 71 2HZ LYS 71 0.139 4.003 -14.159 572 H LEU 72 H LEU 72 0.265 -1.150 -10.891 573 HA LEU 72 HA LEU 72 2.414 -0.472 -12.769 574 HB2 LEU 72 2HB LEU 72 1.872 -0.041 -9.959 575 HB3 LEU 72 1HB LEU 72 3.493 -0.640 -10.236 576 HG LEU 72 HG LEU 72 3.403 1.802 -10.144 577 HD11 LEU 72 1HD1 LEU 72 4.558 2.239 -12.320 578 HD12 LEU 72 2HD1 LEU 72 4.133 0.597 -12.802 579 HD13 LEU 72 3HD1 LEU 72 5.185 0.864 -11.412 580 HD21 LEU 72 3HD2 LEU 72 2.316 3.088 -11.893 581 HD22 LEU 72 1HD2 LEU 72 1.135 2.094 -11.040 582 HD23 LEU 72 2HD2 LEU 72 1.714 1.605 -12.633 583 H ASN 73 H ASN 73 1.643 -2.989 -10.341 584 HA ASN 73 HA ASN 73 3.844 -4.543 -11.540 585 HB2 ASN 73 2HB ASN 73 3.011 -4.540 -8.641 586 HB3 ASN 73 1HB ASN 73 4.271 -5.548 -9.344 587 HD21 ASN 73 1HD2 ASN 73 5.220 -3.462 -11.126 588 HD22 ASN 73 2HD2 ASN 73 6.080 -2.335 -10.139 589 H TYR 74 H TYR 74 0.841 -4.952 -9.667 590 HA TYR 74 HA TYR 74 0.345 -7.402 -11.203 591 HB2 TYR 74 2HB TYR 74 0.407 -7.221 -8.199 592 HB3 TYR 74 1HB TYR 74 -0.404 -8.529 -9.057 593 HD1 TYR 74 1HD TYR 74 0.905 -10.122 -10.410 594 HD2 TYR 74 2HD TYR 74 2.801 -7.135 -8.047 595 HE1 TYR 74 1HE TYR 74 3.035 -11.336 -10.595 596 HE2 TYR 74 2HE TYR 74 4.937 -8.342 -8.226 597 HH TYR 74 HH TYR 74 5.460 -10.838 -10.439 598 H MET 75 H MET 75 -1.101 -5.537 -12.086 599 HA MET 75 HA MET 75 -3.307 -4.568 -10.757 600 HB2 MET 75 2HB MET 75 -4.391 -4.378 -12.963 601 HB3 MET 75 1HB MET 75 -2.723 -3.827 -12.992 602 HG2 MET 75 2HG MET 75 -2.039 -5.960 -13.976 603 HG3 MET 75 1HG MET 75 -3.718 -6.497 -13.959 604 HE1 MET 75 3HE MET 75 -1.132 -3.971 -15.492 605 HE2 MET 75 1HE MET 75 -2.333 -2.901 -14.770 606 HE3 MET 75 2HE MET 75 -2.167 -2.985 -16.523 607 H HIS 76 H HIS 76 -2.669 -7.809 -11.674 608 HA HIS 76 HA HIS 76 -5.423 -8.666 -11.638 609 HB2 HIS 76 2HB HIS 76 -3.707 -9.800 -13.030 610 HB3 HIS 76 1HB HIS 76 -2.901 -10.333 -11.559 611 HD1 HIS 76 1HD HIS 76 -6.084 -10.894 -13.523 612 HD2 HIS 76 2HD HIS 76 -3.961 -12.549 -10.359 613 HE1 HIS 76 1HE HIS 76 -7.186 -13.111 -13.011 614 H ILE 77 H ILE 77 -2.626 -8.894 -9.467 615 HA ILE 77 HA ILE 77 -3.966 -10.413 -7.464 616 HB ILE 77 HB ILE 77 -1.449 -8.751 -7.355 617 HG12 ILE 77 2HG1 ILE 77 -1.913 -11.739 -7.484 618 HG13 ILE 77 1HG1 ILE 77 -1.338 -10.727 -8.805 619 HG21 ILE 77 1HG2 ILE 77 -0.962 -9.864 -5.225 620 HG22 ILE 77 2HG2 ILE 77 -2.554 -10.623 -5.262 621 HG23 ILE 77 3HG2 ILE 77 -2.415 -8.869 -5.124 622 HD11 ILE 77 3HD1 ILE 77 0.659 -10.183 -7.430 623 HD12 ILE 77 1HD1 ILE 77 0.520 -11.887 -7.863 624 HD13 ILE 77 2HD1 ILE 77 0.096 -11.353 -6.237 625 H ALA 78 H ALA 78 -3.085 -6.964 -7.666 626 HA ALA 78 HA ALA 78 -4.173 -6.176 -5.219 627 HB1 ALA 78 1HB ALA 78 -2.673 -4.738 -6.428 628 HB2 ALA 78 2HB ALA 78 -4.206 -3.897 -6.192 629 HB3 ALA 78 3HB ALA 78 -3.818 -4.602 -7.761 630 H ASN 79 H ASN 79 -5.682 -6.727 -8.322 631 HA ASN 79 HA ASN 79 -8.076 -5.371 -8.040 632 HB2 ASN 79 2HB ASN 79 -7.282 -6.649 -10.064 633 HB3 ASN 79 1HB ASN 79 -7.792 -8.125 -9.253 634 HD21 ASN 79 1HD2 ASN 79 -8.703 -6.817 -11.740 635 HD22 ASN 79 2HD2 ASN 79 -10.411 -6.629 -11.558 636 H ALA 80 H ALA 80 -7.148 -8.537 -6.779 637 HA ALA 80 HA ALA 80 -9.706 -9.139 -5.672 638 HB1 ALA 80 1HB ALA 80 -7.002 -10.306 -5.020 639 HB2 ALA 80 2HB ALA 80 -8.109 -10.889 -6.262 640 HB3 ALA 80 3HB ALA 80 -8.563 -10.988 -4.561 641 H LEU 81 H LEU 81 -6.705 -7.802 -4.368 642 HA LEU 81 HA LEU 81 -7.356 -7.777 -1.665 643 HB2 LEU 81 2HB LEU 81 -5.528 -6.147 -3.371 644 HB3 LEU 81 1HB LEU 81 -5.792 -5.667 -1.705 645 HG LEU 81 HG LEU 81 -5.002 -7.886 -0.955 646 HD11 LEU 81 1HD1 LEU 81 -4.377 -8.328 -3.871 647 HD12 LEU 81 2HD1 LEU 81 -5.607 -9.178 -2.934 648 HD13 LEU 81 3HD1 LEU 81 -3.900 -9.378 -2.537 649 HD21 LEU 81 3HD2 LEU 81 -3.448 -6.009 -1.099 650 HD22 LEU 81 1HD2 LEU 81 -3.087 -6.430 -2.772 651 HD23 LEU 81 2HD2 LEU 81 -2.644 -7.534 -1.470 652 H GLU 82 H GLU 82 -8.282 -5.550 -4.211 653 HA GLU 82 HA GLU 82 -9.084 -3.347 -2.761 654 HB2 GLU 82 2HB GLU 82 -10.210 -2.642 -4.640 655 HB3 GLU 82 1HB GLU 82 -9.109 -3.823 -5.332 656 HG2 GLU 82 2HG GLU 82 -10.905 -5.489 -5.319 657 HG3 GLU 82 1HG GLU 82 -12.005 -4.284 -4.655 658 H GLU 83 H GLU 83 -10.560 -6.476 -2.859 659 HA GLU 83 HA GLU 83 -13.194 -5.917 -2.211 660 HB2 GLU 83 2HB GLU 83 -13.347 -8.142 -1.350 661 HB3 GLU 83 1HB GLU 83 -12.234 -8.177 -2.710 662 HG2 GLU 83 2HG GLU 83 -10.344 -8.135 -1.134 663 HG3 GLU 83 1HG GLU 83 -11.489 -8.179 0.205 664 H LYS 84 H LYS 84 -10.348 -5.856 -0.164 665 HA LYS 84 HA LYS 84 -11.513 -5.868 2.355 666 HB2 LYS 84 2HB LYS 84 -8.966 -5.036 1.203 667 HB3 LYS 84 1HB LYS 84 -9.426 -4.060 2.591 668 HG2 LYS 84 2HG LYS 84 -8.081 -5.867 3.361 669 HG3 LYS 84 1HG LYS 84 -9.742 -6.159 3.886 670 HD2 LYS 84 2HD LYS 84 -10.065 -7.733 2.064 671 HD3 LYS 84 1HD LYS 84 -8.442 -7.395 1.456 672 HE2 LYS 84 2HE LYS 84 -8.495 -9.482 2.726 673 HE3 LYS 84 1HE LYS 84 -7.476 -8.277 3.515 674 HZ1 LYS 84 3HZ LYS 84 -10.267 -8.956 4.276 675 HZ2 LYS 84 1HZ LYS 84 -9.304 -7.782 5.025 676 HZ3 LYS 84 2HZ LYS 84 -8.871 -9.414 5.114 677 H LYS 85 H LYS 85 -11.362 -3.329 -0.026 678 HA LYS 85 HA LYS 85 -11.867 -1.083 1.523 679 HB2 LYS 85 2HB LYS 85 -11.317 -1.055 -0.892 680 HB3 LYS 85 1HB LYS 85 -12.928 -1.658 -1.248 681 HG2 LYS 85 2HG LYS 85 -13.911 0.366 -0.326 682 HG3 LYS 85 1HG LYS 85 -12.304 0.968 0.088 683 HD2 LYS 85 2HD LYS 85 -11.704 0.891 -2.314 684 HD3 LYS 85 1HD LYS 85 -13.359 0.400 -2.682 685 HE2 LYS 85 2HE LYS 85 -14.195 2.485 -1.723 686 HE3 LYS 85 1HE LYS 85 -12.547 2.972 -1.331 687 HZ1 LYS 85 3HZ LYS 85 -12.027 2.947 -3.701 688 HZ2 LYS 85 1HZ LYS 85 -13.291 4.020 -3.362 689 HZ3 LYS 85 2HZ LYS 85 -13.623 2.517 -4.062 690 H LYS 86 H LYS 86 -14.091 -3.546 0.346 691 HA LYS 86 HA LYS 86 -16.473 -2.165 1.073 692 HB2 LYS 86 2HB LYS 86 -15.862 -5.036 0.406 693 HB3 LYS 86 1HB LYS 86 -17.465 -4.538 0.926 694 HG2 LYS 86 2HG LYS 86 -17.490 -4.595 -1.436 695 HG3 LYS 86 1HG LYS 86 -17.466 -2.894 -0.969 696 HD2 LYS 86 2HD LYS 86 -15.099 -2.758 -1.437 697 HD3 LYS 86 1HD LYS 86 -15.034 -4.489 -1.774 698 HE2 LYS 86 2HE LYS 86 -15.080 -3.197 -3.841 699 HE3 LYS 86 1HE LYS 86 -16.535 -4.180 -3.677 700 HZ1 LYS 86 3HZ LYS 86 -17.074 -1.963 -4.438 701 HZ2 LYS 86 1HZ LYS 86 -16.323 -1.277 -3.085 702 HZ3 LYS 86 2HZ LYS 86 -17.718 -2.214 -2.894 703 H GLU 87 H GLU 87 -14.340 -4.412 2.714 704 HA GLU 87 HA GLU 87 -16.088 -4.836 4.947 705 HB2 GLU 87 2HB GLU 87 -14.411 -6.502 4.259 706 HB3 GLU 87 1HB GLU 87 -13.127 -5.372 4.664 707 HG2 GLU 87 2HG GLU 87 -13.882 -5.396 7.007 708 HG3 GLU 87 1HG GLU 87 -15.102 -6.595 6.577 709 H ALA 88 H ALA 88 -13.550 -2.585 4.140 710 HA ALA 88 HA ALA 88 -12.883 -1.633 6.675 711 HB1 ALA 88 1HB ALA 88 -12.988 -0.060 4.104 712 HB2 ALA 88 2HB ALA 88 -11.648 -1.083 4.622 713 HB3 ALA 88 3HB ALA 88 -12.069 0.355 5.550 714 H GLU 89 H GLU 89 -15.682 -1.049 4.693 715 HA GLU 89 HA GLU 89 -16.645 1.339 5.682 716 HB2 GLU 89 2HB GLU 89 -18.255 -1.117 4.969 717 HB3 GLU 89 1HB GLU 89 -18.887 0.519 5.089 718 HG2 GLU 89 2HG GLU 89 -17.438 1.212 3.247 719 HG3 GLU 89 1HG GLU 89 -16.815 -0.433 3.124 720 H ARG 90 H ARG 90 -17.378 -1.918 6.944 721 HA ARG 90 HA ARG 90 -18.760 -0.891 9.224 722 HB2 ARG 90 2HB ARG 90 -18.932 -3.183 9.946 723 HB3 ARG 90 1HB ARG 90 -19.235 -3.114 8.217 724 HG2 ARG 90 2HG ARG 90 -17.040 -3.958 7.740 725 HG3 ARG 90 1HG ARG 90 -16.594 -3.877 9.446 726 HD2 ARG 90 2HD ARG 90 -18.432 -5.500 9.920 727 HD3 ARG 90 1HD ARG 90 -18.663 -5.666 8.180 728 HE ARG 90 HE ARG 90 -15.963 -6.143 8.806 729 HH11 ARG 90 1HH1 ARG 90 -19.112 -7.586 9.184 730 HH12 ARG 90 2HH1 ARG 90 -18.506 -9.207 9.237 731 HH21 ARG 90 1HH2 ARG 90 -15.155 -8.275 8.875 732 HH22 ARG 90 2HH2 ARG 90 -16.257 -9.599 9.060 733 H LYS 91 H LYS 91 -15.469 -1.508 8.475 734 HA LYS 91 HA LYS 91 -14.615 -1.767 11.224 735 HB2 LYS 91 2HB LYS 91 -13.036 -1.458 8.666 736 HB3 LYS 91 1HB LYS 91 -12.328 -1.742 10.250 737 HG2 LYS 91 2HG LYS 91 -13.466 -3.885 10.396 738 HG3 LYS 91 1HG LYS 91 -14.225 -3.600 8.830 739 HD2 LYS 91 2HD LYS 91 -12.340 -5.058 8.518 740 HD3 LYS 91 1HD LYS 91 -11.956 -3.485 7.817 741 HE2 LYS 91 2HE LYS 91 -10.609 -2.901 9.715 742 HE3 LYS 91 1HE LYS 91 -11.119 -4.351 10.581 743 HZ1 LYS 91 3HZ LYS 91 -9.558 -4.349 8.053 744 HZ2 LYS 91 1HZ LYS 91 -9.976 -5.706 8.974 745 HZ3 LYS 91 2HZ LYS 91 -8.896 -4.561 9.596 746 H LEU 92 H LEU 92 -15.487 0.789 9.250 747 HA LEU 92 HA LEU 92 -13.852 2.668 10.825 748 HB2 LEU 92 2HB LEU 92 -14.965 2.957 8.037 749 HB3 LEU 92 1HB LEU 92 -14.253 4.280 8.940 750 HG LEU 92 HG LEU 92 -12.806 1.757 8.126 751 HD11 LEU 92 1HD1 LEU 92 -11.598 3.216 6.575 752 HD12 LEU 92 2HD1 LEU 92 -12.645 4.559 7.028 753 HD13 LEU 92 3HD1 LEU 92 -13.321 3.154 6.205 754 HD21 LEU 92 3HD2 LEU 92 -11.917 2.663 10.185 755 HD22 LEU 92 1HD2 LEU 92 -11.837 4.275 9.474 756 HD23 LEU 92 2HD2 LEU 92 -10.799 2.988 8.860 757 H MET 93 H MET 93 -16.844 1.403 10.630 758 HA MET 93 HA MET 93 -18.319 3.874 11.090 759 HB2 MET 93 2HB MET 93 -19.317 2.115 9.679 760 HB3 MET 93 1HB MET 93 -19.276 1.005 11.041 761 HG2 MET 93 2HG MET 93 -20.815 2.448 12.267 762 HG3 MET 93 1HG MET 93 -20.852 3.565 10.905 763 HE1 MET 93 3HE MET 93 -23.502 3.458 10.841 764 HE2 MET 93 1HE MET 93 -23.475 2.365 12.224 765 HE3 MET 93 2HE MET 93 -24.417 1.951 10.792 766 H THR 94 H THR 94 -17.165 1.049 12.822 767 HA THR 94 HA THR 94 -18.238 2.173 15.325 768 HB THR 94 HB THR 94 -17.990 -0.074 16.296 769 HG1 THR 94 1HG THR 94 -17.275 -0.861 13.649 770 HG21 THR 94 3HG2 THR 94 -19.569 -0.050 13.722 771 HG22 THR 94 1HG2 THR 94 -20.129 0.537 15.287 772 HG23 THR 94 2HG2 THR 94 -19.797 -1.180 15.057 773 H ASN 95 H ASN 95 -16.884 1.960 17.244 774 HA ASN 95 HA ASN 95 -14.139 2.650 16.645 775 HB2 ASN 95 2HB ASN 95 -15.537 2.450 19.324 776 HB3 ASN 95 1HB ASN 95 -13.965 3.186 19.025 777 HD21 ASN 95 1HD2 ASN 95 -13.848 5.182 18.031 778 HD22 ASN 95 2HD2 ASN 95 -15.227 6.207 17.845 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -9.238 -2.674 13.462 2 H2 MET 1 2HT MET 1 -10.341 -1.395 13.375 3 H3 MET 1 3HT MET 1 -9.849 -1.984 14.881 4 HA MET 1 HA MET 1 -8.754 0.094 14.396 5 HB2 MET 1 2HB MET 1 -7.595 -1.719 15.678 6 HB3 MET 1 1HB MET 1 -6.828 -2.229 14.180 7 HG2 MET 1 2HG MET 1 -5.789 0.002 13.994 8 HG3 MET 1 1HG MET 1 -6.496 0.429 15.550 9 HE1 MET 1 2HE MET 1 -5.883 -0.809 17.831 10 HE2 MET 1 3HE MET 1 -4.693 -2.103 17.953 11 HE3 MET 1 1HE MET 1 -6.213 -2.382 17.106 12 H GLU 2 H GLU 2 -8.332 1.455 12.807 13 HA GLU 2 HA GLU 2 -8.253 0.741 10.103 14 HB2 GLU 2 2HB GLU 2 -7.655 3.042 9.660 15 HB3 GLU 2 1HB GLU 2 -8.857 2.989 10.941 16 HG2 GLU 2 2HG GLU 2 -5.899 3.288 11.404 17 HG3 GLU 2 1HG GLU 2 -7.036 4.632 11.310 18 H SER 3 H SER 3 -5.724 1.023 12.480 19 HA SER 3 HA SER 3 -3.496 1.254 10.805 20 HB2 SER 3 2HB SER 3 -3.721 -0.132 13.487 21 HB3 SER 3 1HB SER 3 -2.210 0.334 12.706 22 HG SER 3 HG SER 3 -3.844 2.446 12.786 23 H GLU 4 H GLU 4 -5.369 -1.548 11.787 24 HA GLU 4 HA GLU 4 -3.551 -3.480 10.723 25 HB2 GLU 4 2HB GLU 4 -5.201 -3.966 12.522 26 HB3 GLU 4 1HB GLU 4 -6.494 -3.788 11.344 27 HG2 GLU 4 2HG GLU 4 -6.075 -6.110 11.644 28 HG3 GLU 4 1HG GLU 4 -5.488 -5.651 10.046 29 H TYR 5 H TYR 5 -6.220 -1.633 9.465 30 HA TYR 5 HA TYR 5 -6.661 -3.218 7.133 31 HB2 TYR 5 2HB TYR 5 -8.447 -1.829 7.944 32 HB3 TYR 5 1HB TYR 5 -7.443 -0.387 7.833 33 HD1 TYR 5 1HD TYR 5 -8.906 -3.084 5.715 34 HD2 TYR 5 2HD TYR 5 -7.552 0.944 5.929 35 HE1 TYR 5 1HE TYR 5 -9.737 -2.690 3.435 36 HE2 TYR 5 2HE TYR 5 -8.381 1.349 3.649 37 HH TYR 5 HH TYR 5 -10.452 -0.801 2.036 38 H ARG 6 H ARG 6 -4.723 -0.351 7.832 39 HA ARG 6 HA ARG 6 -3.964 -0.016 5.072 40 HB2 ARG 6 2HB ARG 6 -2.435 1.743 6.003 41 HB3 ARG 6 1HB ARG 6 -4.139 1.974 6.368 42 HG2 ARG 6 2HG ARG 6 -3.782 1.066 8.609 43 HG3 ARG 6 1HG ARG 6 -2.072 0.841 8.241 44 HD2 ARG 6 2HD ARG 6 -1.810 3.237 7.915 45 HD3 ARG 6 1HD ARG 6 -3.528 3.481 8.225 46 HE ARG 6 HE ARG 6 -3.130 2.789 10.511 47 HH11 ARG 6 1HH1 ARG 6 -0.315 3.525 8.593 48 HH12 ARG 6 2HH1 ARG 6 0.694 3.847 9.964 49 HH21 ARG 6 1HH2 ARG 6 -1.808 3.210 12.322 50 HH22 ARG 6 2HH2 ARG 6 -0.154 3.666 12.085 51 H GLU 7 H GLU 7 -2.298 -1.021 8.047 52 HA GLU 7 HA GLU 7 0.234 -1.421 6.993 53 HB2 GLU 7 2HB GLU 7 -0.255 -1.460 9.389 54 HB3 GLU 7 1HB GLU 7 -1.137 -2.969 9.195 55 HG2 GLU 7 2HG GLU 7 0.930 -4.070 8.469 56 HG3 GLU 7 1HG GLU 7 1.805 -2.559 8.715 57 H MET 8 H MET 8 -2.349 -3.856 7.377 58 HA MET 8 HA MET 8 -0.879 -5.942 6.158 59 HB2 MET 8 2HB MET 8 -2.702 -6.445 7.652 60 HB3 MET 8 1HB MET 8 -3.844 -5.607 6.611 61 HG2 MET 8 2HG MET 8 -4.053 -8.006 6.371 62 HG3 MET 8 1HG MET 8 -3.491 -7.277 4.869 63 HE1 MET 8 3HE MET 8 -2.715 -9.489 3.859 64 HE2 MET 8 1HE MET 8 -3.245 -10.416 5.262 65 HE3 MET 8 2HE MET 8 -1.615 -10.635 4.624 66 H LEU 9 H LEU 9 -3.503 -3.889 4.878 67 HA LEU 9 HA LEU 9 -3.680 -5.048 2.356 68 HB2 LEU 9 2HB LEU 9 -5.278 -3.416 3.317 69 HB3 LEU 9 1HB LEU 9 -4.104 -2.144 3.044 70 HG LEU 9 HG LEU 9 -4.952 -3.785 0.705 71 HD11 LEU 9 1HD1 LEU 9 -6.624 -1.595 1.929 72 HD12 LEU 9 2HD1 LEU 9 -7.062 -3.299 1.809 73 HD13 LEU 9 3HD1 LEU 9 -6.890 -2.327 0.347 74 HD21 LEU 9 3HD2 LEU 9 -3.262 -2.147 0.318 75 HD22 LEU 9 1HD2 LEU 9 -4.187 -0.908 1.166 76 HD23 LEU 9 2HD2 LEU 9 -4.761 -1.533 -0.379 77 H LEU 10 H LEU 10 -1.379 -2.699 3.572 78 HA LEU 10 HA LEU 10 -0.351 -2.051 0.965 79 HB2 LEU 10 2HB LEU 10 0.620 -1.438 3.748 80 HB3 LEU 10 1HB LEU 10 1.451 -0.899 2.302 81 HG LEU 10 HG LEU 10 -1.424 -0.198 2.858 82 HD11 LEU 10 1HD1 LEU 10 -0.104 0.634 4.710 83 HD12 LEU 10 2HD1 LEU 10 -0.594 1.968 3.666 84 HD13 LEU 10 3HD1 LEU 10 1.056 1.350 3.591 85 HD21 LEU 10 3HD2 LEU 10 0.678 1.005 1.060 86 HD22 LEU 10 1HD2 LEU 10 -0.963 1.615 1.273 87 HD23 LEU 10 2HD2 LEU 10 -0.699 0.030 0.546 88 H LEU 11 H LEU 11 1.058 -3.737 3.788 89 HA LEU 11 HA LEU 11 3.418 -4.526 2.546 90 HB2 LEU 11 2HB LEU 11 3.672 -6.138 4.329 91 HB3 LEU 11 1HB LEU 11 3.075 -4.618 4.958 92 HG LEU 11 HG LEU 11 0.730 -5.779 4.753 93 HD11 LEU 11 1HD1 LEU 11 1.397 -7.788 3.635 94 HD12 LEU 11 2HD1 LEU 11 0.912 -8.206 5.277 95 HD13 LEU 11 3HD1 LEU 11 2.622 -8.121 4.857 96 HD21 LEU 11 3HD2 LEU 11 2.725 -6.477 6.903 97 HD22 LEU 11 1HD2 LEU 11 0.971 -6.583 7.050 98 HD23 LEU 11 2HD2 LEU 11 1.743 -5.013 6.829 99 H THR 12 H THR 12 0.229 -5.815 2.195 100 HA THR 12 HA THR 12 0.828 -8.429 1.380 101 HB THR 12 HB THR 12 -1.467 -6.669 0.484 102 HG1 THR 12 1HG THR 12 -2.486 -7.384 2.262 103 HG21 THR 12 3HG2 THR 12 -2.630 -8.806 0.034 104 HG22 THR 12 1HG2 THR 12 -1.128 -9.670 0.365 105 HG23 THR 12 2HG2 THR 12 -1.230 -8.570 -1.011 106 H GLY 13 H GLY 13 1.630 -5.511 -0.112 107 HA2 GLY 13 2HA GLY 13 1.998 -6.899 -2.695 108 HA3 GLY 13 1HA GLY 13 1.606 -5.192 -2.580 109 H LEU 14 H LEU 14 3.520 -5.075 -0.173 110 HA LEU 14 HA LEU 14 5.814 -4.282 -1.695 111 HB2 LEU 14 2HB LEU 14 5.126 -4.319 1.216 112 HB3 LEU 14 1HB LEU 14 6.788 -4.072 0.730 113 HG LEU 14 HG LEU 14 5.795 -1.936 1.155 114 HD11 LEU 14 1HD1 LEU 14 7.347 -2.032 -0.719 115 HD12 LEU 14 2HD1 LEU 14 6.094 -0.821 -0.994 116 HD13 LEU 14 3HD1 LEU 14 6.014 -2.376 -1.821 117 HD21 LEU 14 3HD2 LEU 14 3.658 -2.734 -0.819 118 HD22 LEU 14 1HD2 LEU 14 3.836 -1.138 -0.092 119 HD23 LEU 14 2HD2 LEU 14 3.459 -2.530 0.921 120 H ASP 15 H ASP 15 5.418 -6.668 0.930 121 HA ASP 15 HA ASP 15 7.947 -7.900 0.299 122 HB2 ASP 15 2HB ASP 15 7.057 -7.664 2.633 123 HB3 ASP 15 1HB ASP 15 5.827 -8.856 2.230 124 H HIS 16 H HIS 16 5.209 -8.024 -1.343 125 HA HIS 16 HA HIS 16 5.362 -10.921 -1.852 126 HB2 HIS 16 2HB HIS 16 3.077 -8.983 -2.202 127 HB3 HIS 16 1HB HIS 16 3.063 -10.612 -2.865 128 HD1 HIS 16 1HD HIS 16 1.644 -12.048 -1.409 129 HD2 HIS 16 2HD HIS 16 3.877 -9.319 0.788 130 HE1 HIS 16 1HE HIS 16 1.120 -12.498 1.023 131 H ILE 17 H ILE 17 6.932 -8.565 -3.013 132 HA ILE 17 HA ILE 17 6.594 -9.393 -5.806 133 HB ILE 17 HB ILE 17 6.939 -7.084 -6.593 134 HG12 ILE 17 2HG1 ILE 17 6.543 -6.337 -3.685 135 HG13 ILE 17 1HG1 ILE 17 8.059 -6.213 -4.572 136 HG21 ILE 17 1HG2 ILE 17 4.543 -7.335 -4.781 137 HG22 ILE 17 2HG2 ILE 17 4.682 -8.067 -6.379 138 HG23 ILE 17 3HG2 ILE 17 4.688 -6.312 -6.210 139 HD11 ILE 17 3HD1 ILE 17 5.536 -4.694 -5.190 140 HD12 ILE 17 1HD1 ILE 17 7.070 -4.554 -6.048 141 HD13 ILE 17 2HD1 ILE 17 6.954 -4.056 -4.360 142 H THR 18 H THR 18 8.478 -8.984 -7.148 143 HA THR 18 HA THR 18 10.877 -9.776 -5.951 144 HB THR 18 HB THR 18 11.960 -9.205 -8.099 145 HG1 THR 18 1HG THR 18 10.264 -7.356 -8.327 146 HG21 THR 18 3HG2 THR 18 10.783 -11.336 -7.878 147 HG22 THR 18 1HG2 THR 18 10.631 -10.704 -9.517 148 HG23 THR 18 2HG2 THR 18 9.280 -10.568 -8.392 149 H GLU 19 H GLU 19 12.957 -8.575 -6.029 150 HA GLU 19 HA GLU 19 12.749 -6.165 -4.552 151 HB2 GLU 19 2HB GLU 19 15.111 -7.544 -5.828 152 HB3 GLU 19 1HB GLU 19 15.255 -6.095 -4.843 153 HG2 GLU 19 2HG GLU 19 15.759 -8.015 -3.504 154 HG3 GLU 19 1HG GLU 19 14.238 -7.313 -2.957 155 H GLU 20 H GLU 20 13.596 -6.876 -7.913 156 HA GLU 20 HA GLU 20 14.417 -4.316 -8.673 157 HB2 GLU 20 2HB GLU 20 13.830 -5.027 -10.985 158 HB3 GLU 20 1HB GLU 20 14.822 -6.191 -10.120 159 HG2 GLU 20 2HG GLU 20 12.852 -7.551 -9.669 160 HG3 GLU 20 1HG GLU 20 11.841 -6.373 -10.507 161 H GLU 21 H GLU 21 11.182 -5.776 -8.712 162 HA GLU 21 HA GLU 21 9.946 -3.403 -9.758 163 HB2 GLU 21 2HB GLU 21 8.704 -5.843 -8.476 164 HB3 GLU 21 1HB GLU 21 7.833 -4.592 -9.352 165 HG2 GLU 21 2HG GLU 21 9.035 -5.173 -11.391 166 HG3 GLU 21 1HG GLU 21 9.923 -6.418 -10.515 167 H LEU 22 H LEU 22 10.625 -4.715 -6.615 168 HA LEU 22 HA LEU 22 8.767 -3.284 -5.082 169 HB2 LEU 22 2HB LEU 22 10.098 -5.175 -4.243 170 HB3 LEU 22 1HB LEU 22 11.543 -4.188 -4.320 171 HG LEU 22 HG LEU 22 10.667 -2.717 -2.583 172 HD11 LEU 22 1HD1 LEU 22 8.302 -2.845 -3.067 173 HD12 LEU 22 2HD1 LEU 22 8.594 -3.317 -1.394 174 HD13 LEU 22 3HD1 LEU 22 8.274 -4.549 -2.614 175 HD21 LEU 22 3HD2 LEU 22 11.959 -4.673 -1.918 176 HD22 LEU 22 1HD2 LEU 22 10.484 -5.634 -1.846 177 HD23 LEU 22 2HD2 LEU 22 10.720 -4.298 -0.720 178 H LYS 23 H LYS 23 11.871 -2.366 -6.424 179 HA LYS 23 HA LYS 23 12.063 0.077 -4.931 180 HB2 LYS 23 2HB LYS 23 13.539 -0.890 -7.384 181 HB3 LYS 23 1HB LYS 23 13.921 0.592 -6.518 182 HG2 LYS 23 2HG LYS 23 14.385 -0.734 -4.499 183 HG3 LYS 23 1HG LYS 23 14.066 -2.206 -5.417 184 HD2 LYS 23 2HD LYS 23 15.907 -1.689 -6.922 185 HD3 LYS 23 1HD LYS 23 16.203 -0.175 -6.063 186 HE2 LYS 23 2HE LYS 23 16.428 -2.946 -4.890 187 HE3 LYS 23 1HE LYS 23 17.776 -1.923 -5.382 188 HZ1 LYS 23 3HZ LYS 23 17.425 -1.787 -3.010 189 HZ2 LYS 23 1HZ LYS 23 15.817 -1.310 -3.236 190 HZ3 LYS 23 2HZ LYS 23 17.077 -0.293 -3.723 191 H ARG 24 H ARG 24 10.847 -0.881 -8.079 192 HA ARG 24 HA ARG 24 10.545 1.702 -9.174 193 HB2 ARG 24 2HB ARG 24 9.115 -0.897 -9.744 194 HB3 ARG 24 1HB ARG 24 8.859 0.571 -10.679 195 HG2 ARG 24 2HG ARG 24 11.146 0.575 -11.405 196 HG3 ARG 24 1HG ARG 24 11.528 -0.782 -10.344 197 HD2 ARG 24 2HD ARG 24 11.260 -1.560 -12.622 198 HD3 ARG 24 1HD ARG 24 9.960 -2.189 -11.613 199 HE ARG 24 HE ARG 24 8.996 0.139 -12.732 200 HH11 ARG 24 1HH1 ARG 24 10.195 -2.927 -13.876 201 HH12 ARG 24 2HH1 ARG 24 9.221 -2.920 -15.309 202 HH21 ARG 24 1HH2 ARG 24 7.708 0.155 -14.616 203 HH22 ARG 24 2HH2 ARG 24 7.809 -1.167 -15.731 204 H PHE 25 H PHE 25 8.280 -0.408 -7.439 205 HA PHE 25 HA PHE 25 6.011 1.181 -7.560 206 HB2 PHE 25 2HB PHE 25 5.823 -1.051 -6.744 207 HB3 PHE 25 1HB PHE 25 6.972 -0.747 -5.446 208 HD1 PHE 25 1HD PHE 25 3.668 0.466 -6.688 209 HD2 PHE 25 2HD PHE 25 6.164 -0.346 -3.339 210 HE1 PHE 25 1HE PHE 25 1.808 1.015 -5.172 211 HE2 PHE 25 2HE PHE 25 4.310 0.201 -1.817 212 HZ PHE 25 HZ PHE 25 2.128 0.882 -2.733 213 H LYS 26 H LYS 26 8.630 1.232 -5.158 214 HA LYS 26 HA LYS 26 7.500 3.209 -3.501 215 HB2 LYS 26 2HB LYS 26 10.374 2.405 -3.938 216 HB3 LYS 26 1HB LYS 26 9.849 3.524 -2.688 217 HG2 LYS 26 2HG LYS 26 8.270 1.595 -1.978 218 HG3 LYS 26 1HG LYS 26 9.370 0.586 -2.917 219 HD2 LYS 26 2HD LYS 26 10.101 0.552 -0.642 220 HD3 LYS 26 1HD LYS 26 11.254 1.520 -1.564 221 HE2 LYS 26 2HE LYS 26 10.137 3.564 -0.795 222 HE3 LYS 26 1HE LYS 26 9.004 2.588 0.139 223 HZ1 LYS 26 3HZ LYS 26 11.941 2.696 0.550 224 HZ2 LYS 26 1HZ LYS 26 10.857 1.753 1.443 225 HZ3 LYS 26 2HZ LYS 26 10.779 3.441 1.526 226 H TYR 27 H TYR 27 9.403 3.371 -6.421 227 HA TYR 27 HA TYR 27 10.072 6.129 -6.248 228 HB2 TYR 27 2HB TYR 27 11.351 4.572 -7.633 229 HB3 TYR 27 1HB TYR 27 9.942 4.300 -8.652 230 HD1 TYR 27 2HD TYR 27 12.519 6.755 -7.683 231 HD2 TYR 27 1HD TYR 27 9.346 5.856 -10.370 232 HE1 TYR 27 2HE TYR 27 13.218 8.622 -9.124 233 HE2 TYR 27 1HE TYR 27 10.036 7.717 -11.819 234 HH TYR 27 HH TYR 27 13.010 9.304 -11.486 235 H PHE 28 H PHE 28 7.498 4.376 -7.986 236 HA PHE 28 HA PHE 28 6.419 6.697 -9.210 237 HB2 PHE 28 2HB PHE 28 5.244 3.961 -8.711 238 HB3 PHE 28 1HB PHE 28 4.416 5.222 -9.619 239 HD1 PHE 28 1HD PHE 28 5.887 6.289 -11.556 240 HD2 PHE 28 2HD PHE 28 6.462 2.416 -9.887 241 HE1 PHE 28 1HE PHE 28 7.052 5.582 -13.605 242 HE2 PHE 28 2HE PHE 28 7.627 1.703 -11.932 243 HZ PHE 28 HZ PHE 28 7.924 3.286 -13.795 244 H ALA 29 H ALA 29 5.374 4.796 -6.386 245 HA ALA 29 HA ALA 29 3.152 6.370 -5.731 246 HB1 ALA 29 1HB ALA 29 3.296 5.340 -3.514 247 HB2 ALA 29 2HB ALA 29 4.907 4.736 -3.902 248 HB3 ALA 29 3HB ALA 29 3.505 4.149 -4.797 249 H LEU 30 H LEU 30 6.468 6.473 -4.439 250 HA LEU 30 HA LEU 30 5.864 9.019 -3.133 251 HB2 LEU 30 2HB LEU 30 8.441 7.482 -2.959 252 HB3 LEU 30 1HB LEU 30 7.820 8.683 -1.844 253 HG LEU 30 HG LEU 30 6.449 6.040 -2.272 254 HD11 LEU 30 1HD1 LEU 30 8.559 6.731 -0.239 255 HD12 LEU 30 2HD1 LEU 30 8.710 5.564 -1.550 256 HD13 LEU 30 3HD1 LEU 30 7.576 5.269 -0.233 257 HD21 LEU 30 3HD2 LEU 30 5.084 7.753 -1.250 258 HD22 LEU 30 1HD2 LEU 30 6.348 8.096 -0.069 259 HD23 LEU 30 2HD2 LEU 30 5.519 6.540 -0.045 260 H THR 31 H THR 31 5.846 10.438 -4.879 261 HA THR 31 HA THR 31 8.207 10.598 -6.579 262 HB THR 31 HB THR 31 6.970 12.294 -7.839 263 HG1 THR 31 1HG THR 31 4.795 12.749 -7.191 264 HG21 THR 31 3HG2 THR 31 5.137 10.867 -8.639 265 HG22 THR 31 1HG2 THR 31 5.322 9.843 -7.214 266 HG23 THR 31 2HG2 THR 31 6.622 9.945 -8.401 267 H GLU 32 H GLU 32 6.374 12.722 -4.388 268 HA GLU 32 HA GLU 32 8.576 14.639 -4.412 269 HB2 GLU 32 2HB GLU 32 7.009 16.111 -3.186 270 HB3 GLU 32 1HB GLU 32 6.373 15.572 -4.734 271 HG2 GLU 32 2HG GLU 32 5.024 13.882 -3.585 272 HG3 GLU 32 1HG GLU 32 5.648 14.450 -2.036 273 H PHE 33 H PHE 33 8.178 11.917 -2.820 274 HA PHE 33 HA PHE 33 8.851 13.012 -0.176 275 HB2 PHE 33 2HB PHE 33 8.075 10.188 -0.936 276 HB3 PHE 33 1HB PHE 33 8.373 10.771 0.699 277 HD1 PHE 33 2HD PHE 33 6.920 12.859 1.395 278 HD2 PHE 33 1HD PHE 33 5.906 10.105 -1.687 279 HE1 PHE 33 2HE PHE 33 4.557 13.510 1.596 280 HE2 PHE 33 1HE PHE 33 3.542 10.753 -1.493 281 HZ PHE 33 HZ PHE 33 2.865 12.458 0.150 282 H GLN 34 H GLN 34 10.137 11.282 -2.865 283 HA GLN 34 HA GLN 34 12.141 10.254 -3.273 284 HB2 GLN 34 2HB GLN 34 12.608 12.754 -3.087 285 HB3 GLN 34 1HB GLN 34 13.254 12.413 -1.489 286 HG2 GLN 34 2HG GLN 34 15.035 12.553 -3.114 287 HG3 GLN 34 1HG GLN 34 14.911 10.913 -2.479 288 HE21 GLN 34 1HE2 GLN 34 12.687 12.236 -4.823 289 HE22 GLN 34 2HE2 GLN 34 13.193 11.252 -6.150 290 H ILE 35 H ILE 35 10.731 9.264 -0.876 291 HA ILE 35 HA ILE 35 12.424 8.831 1.291 292 HB ILE 35 HB ILE 35 10.198 7.129 0.182 293 HG12 ILE 35 2HG1 ILE 35 10.387 8.866 2.650 294 HG13 ILE 35 1HG1 ILE 35 9.626 9.346 1.137 295 HG21 ILE 35 1HG2 ILE 35 11.684 5.625 1.343 296 HG22 ILE 35 2HG2 ILE 35 10.251 5.901 2.333 297 HG23 ILE 35 3HG2 ILE 35 11.765 6.717 2.725 298 HD11 ILE 35 3HD1 ILE 35 7.970 7.571 1.407 299 HD12 ILE 35 1HD1 ILE 35 7.976 8.669 2.785 300 HD13 ILE 35 2HD1 ILE 35 8.739 7.086 2.917 301 H ALA 36 H ALA 36 14.004 7.401 1.763 302 HA ALA 36 HA ALA 36 15.659 6.388 -0.193 303 HB1 ALA 36 1HB ALA 36 16.404 6.704 2.078 304 HB2 ALA 36 2HB ALA 36 16.669 5.024 1.609 305 HB3 ALA 36 3HB ALA 36 15.308 5.447 2.648 306 H ARG 37 H ARG 37 15.640 4.649 -1.476 307 HA ARG 37 HA ARG 37 13.375 2.969 -1.618 308 HB2 ARG 37 2HB ARG 37 14.681 1.729 -3.327 309 HB3 ARG 37 1HB ARG 37 14.628 3.462 -3.616 310 HG2 ARG 37 2HG ARG 37 16.872 3.697 -2.704 311 HG3 ARG 37 1HG ARG 37 16.927 1.964 -2.374 312 HD2 ARG 37 2HD ARG 37 16.705 1.495 -4.758 313 HD3 ARG 37 1HD ARG 37 16.615 3.223 -5.098 314 HE ARG 37 HE ARG 37 18.993 2.477 -3.682 315 HH11 ARG 37 1HH1 ARG 37 17.511 2.701 -6.829 316 HH12 ARG 37 2HH1 ARG 37 19.018 2.830 -7.671 317 HH21 ARG 37 1HH2 ARG 37 20.982 2.642 -4.783 318 HH22 ARG 37 2HH2 ARG 37 20.992 2.793 -6.510 319 H SER 38 H SER 38 16.667 2.465 -0.413 320 HA SER 38 HA SER 38 16.620 -0.245 0.082 321 HB2 SER 38 2HB SER 38 17.902 1.910 1.778 322 HB3 SER 38 1HB SER 38 18.306 0.193 1.831 323 HG SER 38 HG SER 38 19.412 1.949 0.310 324 H THR 39 H THR 39 14.987 2.290 1.802 325 HA THR 39 HA THR 39 14.520 1.103 4.269 326 HB THR 39 HB THR 39 12.554 2.839 2.767 327 HG1 THR 39 1HG THR 39 14.854 3.507 4.308 328 HG21 THR 39 3HG2 THR 39 11.897 3.575 5.018 329 HG22 THR 39 1HG2 THR 39 13.035 2.426 5.721 330 HG23 THR 39 2HG2 THR 39 11.647 1.843 4.803 331 H LEU 40 H LEU 40 13.314 0.176 1.200 332 HA LEU 40 HA LEU 40 10.814 -0.860 1.750 333 HB2 LEU 40 2HB LEU 40 11.326 -2.517 -0.092 334 HB3 LEU 40 1HB LEU 40 11.464 -0.818 -0.494 335 HG LEU 40 HG LEU 40 14.008 -1.217 0.082 336 HD11 LEU 40 1HD1 LEU 40 14.785 -3.419 -0.521 337 HD12 LEU 40 2HD1 LEU 40 13.129 -3.963 -0.783 338 HD13 LEU 40 3HD1 LEU 40 13.667 -3.532 0.839 339 HD21 LEU 40 3HD2 LEU 40 12.577 -1.969 -2.457 340 HD22 LEU 40 1HD2 LEU 40 14.334 -1.862 -2.339 341 HD23 LEU 40 2HD2 LEU 40 13.342 -0.432 -2.049 342 H ASP 41 H ASP 41 13.723 -1.851 3.134 343 HA ASP 41 HA ASP 41 13.412 -4.607 3.416 344 HB2 ASP 41 2HB ASP 41 15.444 -3.325 4.065 345 HB3 ASP 41 1HB ASP 41 14.568 -2.694 5.457 346 H VAL 42 H VAL 42 12.069 -1.949 5.310 347 HA VAL 42 HA VAL 42 10.108 -3.810 6.461 348 HB VAL 42 HB VAL 42 10.243 -2.534 8.618 349 HG11 VAL 42 1HG1 VAL 42 12.726 -4.041 7.792 350 HG12 VAL 42 2HG1 VAL 42 11.233 -4.756 8.401 351 HG13 VAL 42 3HG1 VAL 42 12.216 -3.734 9.452 352 HG21 VAL 42 3HG2 VAL 42 12.306 -1.298 9.089 353 HG22 VAL 42 1HG2 VAL 42 11.363 -0.553 7.797 354 HG23 VAL 42 2HG2 VAL 42 12.800 -1.500 7.407 355 H ALA 43 H ALA 43 10.598 -1.227 4.608 356 HA ALA 43 HA ALA 43 9.004 0.826 5.529 357 HB1 ALA 43 1HB ALA 43 10.488 0.854 3.511 358 HB2 ALA 43 2HB ALA 43 8.924 1.643 3.319 359 HB3 ALA 43 3HB ALA 43 9.188 0.035 2.645 360 H ASP 44 H ASP 44 8.046 -2.212 4.172 361 HA ASP 44 HA ASP 44 5.484 -1.540 3.311 362 HB2 ASP 44 2HB ASP 44 4.958 -3.925 3.536 363 HB3 ASP 44 1HB ASP 44 6.531 -3.677 2.786 364 H ARG 45 H ARG 45 6.453 -2.810 6.530 365 HA ARG 45 HA ARG 45 3.748 -2.552 7.480 366 HB2 ARG 45 2HB ARG 45 5.960 -2.930 9.410 367 HB3 ARG 45 1HB ARG 45 4.402 -3.738 9.302 368 HG2 ARG 45 2HG ARG 45 5.229 -5.033 7.381 369 HG3 ARG 45 1HG ARG 45 6.802 -4.251 7.557 370 HD2 ARG 45 2HD ARG 45 6.869 -6.416 8.611 371 HD3 ARG 45 1HD ARG 45 6.963 -5.161 9.845 372 HE ARG 45 HE ARG 45 4.279 -5.963 9.464 373 HH11 ARG 45 1HH1 ARG 45 7.286 -7.037 10.855 374 HH12 ARG 45 2HH1 ARG 45 6.528 -8.043 12.044 375 HH21 ARG 45 1HH2 ARG 45 3.269 -7.287 11.027 376 HH22 ARG 45 2HH2 ARG 45 4.245 -8.185 12.141 377 H THR 46 H THR 46 6.770 -1.101 8.714 378 HA THR 46 HA THR 46 5.263 0.797 10.267 379 HB THR 46 HB THR 46 7.096 -0.124 11.385 380 HG1 THR 46 1HG THR 46 8.325 1.777 11.846 381 HG21 THR 46 3HG2 THR 46 8.393 -0.857 9.437 382 HG22 THR 46 1HG2 THR 46 9.404 0.021 10.584 383 HG23 THR 46 2HG2 THR 46 8.850 0.814 9.110 384 H GLU 47 H GLU 47 7.809 1.252 7.796 385 HA GLU 47 HA GLU 47 7.711 4.069 7.991 386 HB2 GLU 47 2HB GLU 47 9.264 2.080 6.657 387 HB3 GLU 47 1HB GLU 47 8.872 3.377 5.526 388 HG2 GLU 47 2HG GLU 47 10.192 3.692 8.215 389 HG3 GLU 47 1HG GLU 47 10.978 3.809 6.643 390 H LEU 48 H LEU 48 6.721 2.084 5.170 391 HA LEU 48 HA LEU 48 5.704 4.241 3.722 392 HB2 LEU 48 2HB LEU 48 5.127 1.301 3.593 393 HB3 LEU 48 1HB LEU 48 4.321 2.438 2.533 394 HG LEU 48 HG LEU 48 7.303 2.023 2.686 395 HD11 LEU 48 1HD1 LEU 48 7.059 0.992 0.487 396 HD12 LEU 48 2HD1 LEU 48 5.308 1.172 0.596 397 HD13 LEU 48 3HD1 LEU 48 6.157 0.105 1.715 398 HD21 LEU 48 3HD2 LEU 48 6.688 4.308 2.074 399 HD22 LEU 48 1HD2 LEU 48 5.646 3.686 0.795 400 HD23 LEU 48 2HD2 LEU 48 7.391 3.443 0.708 401 H ALA 49 H ALA 49 3.917 1.884 5.692 402 HA ALA 49 HA ALA 49 1.359 2.805 5.237 403 HB1 ALA 49 1HB ALA 49 1.906 0.751 6.461 404 HB2 ALA 49 2HB ALA 49 0.725 1.747 7.314 405 HB3 ALA 49 3HB ALA 49 2.407 1.724 7.845 406 H ASP 50 H ASP 50 3.467 3.820 7.938 407 HA ASP 50 HA ASP 50 1.634 5.744 8.917 408 HB2 ASP 50 2HB ASP 50 4.575 5.314 9.402 409 HB3 ASP 50 1HB ASP 50 3.648 6.573 10.213 410 H HIS 51 H HIS 51 4.267 5.983 6.588 411 HA HIS 51 HA HIS 51 4.413 8.833 6.660 412 HB2 HIS 51 2HB HIS 51 6.189 7.119 5.882 413 HB3 HIS 51 1HB HIS 51 5.346 7.184 4.337 414 HD1 HIS 51 1HD HIS 51 5.085 9.825 3.417 415 HD2 HIS 51 2HD HIS 51 8.123 8.945 6.112 416 HE1 HIS 51 1HE HIS 51 6.768 11.703 3.229 417 H LEU 52 H LEU 52 3.189 6.640 4.113 418 HA LEU 52 HA LEU 52 2.289 8.543 2.347 419 HB2 LEU 52 2HB LEU 52 0.756 6.827 1.476 420 HB3 LEU 52 1HB LEU 52 2.392 6.246 1.726 421 HG LEU 52 HG LEU 52 1.380 5.432 4.035 422 HD11 LEU 52 1HD1 LEU 52 -1.019 5.472 2.213 423 HD12 LEU 52 2HD1 LEU 52 -0.823 6.409 3.693 424 HD13 LEU 52 3HD1 LEU 52 -0.919 4.650 3.771 425 HD21 LEU 52 3HD2 LEU 52 1.100 3.269 3.072 426 HD22 LEU 52 1HD2 LEU 52 2.405 4.077 2.206 427 HD23 LEU 52 2HD2 LEU 52 0.804 3.955 1.475 428 H ILE 53 H ILE 53 0.688 7.487 5.290 429 HA ILE 53 HA ILE 53 -1.903 8.339 4.817 430 HB ILE 53 HB ILE 53 -0.314 8.457 7.379 431 HG12 ILE 53 2HG1 ILE 53 -2.456 6.519 6.491 432 HG13 ILE 53 1HG1 ILE 53 -0.731 6.222 6.308 433 HG21 ILE 53 1HG2 ILE 53 -2.503 8.611 8.523 434 HG22 ILE 53 2HG2 ILE 53 -3.274 8.849 6.954 435 HG23 ILE 53 3HG2 ILE 53 -2.124 10.040 7.561 436 HD11 ILE 53 3HD1 ILE 53 -0.528 6.486 8.792 437 HD12 ILE 53 1HD1 ILE 53 -1.442 5.080 8.251 438 HD13 ILE 53 2HD1 ILE 53 -2.290 6.502 8.858 439 H GLN 54 H GLN 54 0.836 10.257 6.009 440 HA GLN 54 HA GLN 54 -0.525 12.650 6.452 441 HB2 GLN 54 2HB GLN 54 1.813 12.097 7.173 442 HB3 GLN 54 1HB GLN 54 2.333 12.386 5.518 443 HG2 GLN 54 2HG GLN 54 2.776 14.329 6.858 444 HG3 GLN 54 1HG GLN 54 1.512 14.696 5.685 445 HE21 GLN 54 1HE2 GLN 54 -0.596 15.026 6.397 446 HE22 GLN 54 2HE2 GLN 54 -0.971 15.324 8.056 447 H SER 55 H SER 55 0.544 11.201 3.475 448 HA SER 55 HA SER 55 0.668 13.500 1.867 449 HB2 SER 55 2HB SER 55 1.580 11.349 1.142 450 HB3 SER 55 1HB SER 55 -0.047 10.670 1.072 451 HG SER 55 HG SER 55 -0.203 11.472 -0.850 452 H ALA 56 H ALA 56 -2.020 11.132 2.091 453 HA ALA 56 HA ALA 56 -3.830 13.327 1.312 454 HB1 ALA 56 1HB ALA 56 -5.183 11.741 0.068 455 HB2 ALA 56 2HB ALA 56 -4.086 10.432 0.510 456 HB3 ALA 56 3HB ALA 56 -3.524 11.742 -0.531 457 H GLY 57 H GLY 57 -3.418 10.387 3.201 458 HA2 GLY 57 2HA GLY 57 -4.661 11.001 5.474 459 HA3 GLY 57 1HA GLY 57 -6.042 10.688 4.432 460 H ALA 58 H ALA 58 -6.134 9.082 6.414 461 HA ALA 58 HA ALA 58 -4.471 6.772 6.267 462 HB1 ALA 58 1HB ALA 58 -7.148 7.123 7.612 463 HB2 ALA 58 2HB ALA 58 -5.572 7.434 8.342 464 HB3 ALA 58 3HB ALA 58 -6.020 5.793 7.878 465 H ALA 59 H ALA 59 -8.001 6.937 5.780 466 HA ALA 59 HA ALA 59 -8.088 4.504 4.332 467 HB1 ALA 59 1HB ALA 59 -10.424 5.035 3.933 468 HB2 ALA 59 2HB ALA 59 -10.155 6.692 4.473 469 HB3 ALA 59 3HB ALA 59 -9.990 5.357 5.612 470 H SER 60 H SER 60 -7.931 7.879 3.344 471 HA SER 60 HA SER 60 -8.587 7.543 0.638 472 HB2 SER 60 2HB SER 60 -6.794 9.612 1.925 473 HB3 SER 60 1HB SER 60 -7.463 9.718 0.297 474 HG SER 60 HG SER 60 -9.253 10.408 1.131 475 H ALA 61 H ALA 61 -5.354 7.823 2.119 476 HA ALA 61 HA ALA 61 -3.893 7.378 -0.219 477 HB1 ALA 61 1HB ALA 61 -1.996 6.960 1.219 478 HB2 ALA 61 2HB ALA 61 -3.066 6.720 2.600 479 HB3 ALA 61 3HB ALA 61 -2.947 8.309 1.842 480 H VAL 62 H VAL 62 -5.023 5.057 2.224 481 HA VAL 62 HA VAL 62 -3.725 2.797 1.169 482 HB VAL 62 HB VAL 62 -6.290 2.956 2.761 483 HG11 VAL 62 1HG1 VAL 62 -6.155 0.818 1.600 484 HG12 VAL 62 2HG1 VAL 62 -5.874 0.600 3.328 485 HG13 VAL 62 3HG1 VAL 62 -4.515 0.578 2.203 486 HG21 VAL 62 3HG2 VAL 62 -4.225 3.899 3.806 487 HG22 VAL 62 1HG2 VAL 62 -3.500 2.297 3.686 488 HG23 VAL 62 2HG2 VAL 62 -4.934 2.543 4.683 489 H THR 63 H THR 63 -6.707 4.393 0.276 490 HA THR 63 HA THR 63 -7.691 2.237 -1.337 491 HB THR 63 HB THR 63 -8.492 5.154 -1.345 492 HG1 THR 63 1HG THR 63 -10.371 3.885 -0.217 493 HG21 THR 63 3HG2 THR 63 -9.162 4.042 -3.403 494 HG22 THR 63 1HG2 THR 63 -10.573 4.328 -2.385 495 HG23 THR 63 2HG2 THR 63 -9.867 2.714 -2.481 496 H LYS 64 H LYS 64 -6.187 5.387 -2.072 497 HA LYS 64 HA LYS 64 -6.144 5.021 -4.870 498 HB2 LYS 64 2HB LYS 64 -4.567 6.889 -4.914 499 HB3 LYS 64 1HB LYS 64 -5.914 7.227 -3.836 500 HG2 LYS 64 2HG LYS 64 -4.614 7.099 -1.945 501 HG3 LYS 64 1HG LYS 64 -3.404 6.070 -2.718 502 HD2 LYS 64 2HD LYS 64 -2.650 7.953 -4.066 503 HD3 LYS 64 1HD LYS 64 -3.874 8.987 -3.328 504 HE2 LYS 64 2HE LYS 64 -1.680 9.340 -2.313 505 HE3 LYS 64 1HE LYS 64 -2.827 8.683 -1.146 506 HZ1 LYS 64 3HZ LYS 64 -1.861 6.499 -1.472 507 HZ2 LYS 64 1HZ LYS 64 -0.667 7.600 -0.995 508 HZ3 LYS 64 2HZ LYS 64 -0.773 7.115 -2.612 509 H ALA 65 H ALA 65 -3.944 4.084 -2.320 510 HA ALA 65 HA ALA 65 -1.632 3.559 -3.760 511 HB1 ALA 65 1HB ALA 65 -1.046 2.003 -1.980 512 HB2 ALA 65 2HB ALA 65 -2.719 1.996 -1.419 513 HB3 ALA 65 3HB ALA 65 -1.761 3.473 -1.316 514 H ILE 66 H ILE 66 -4.610 1.772 -3.553 515 HA ILE 66 HA ILE 66 -3.673 -0.683 -4.623 516 HB ILE 66 HB ILE 66 -6.431 0.533 -4.489 517 HG12 ILE 66 2HG1 ILE 66 -5.303 -0.204 -2.373 518 HG13 ILE 66 1HG1 ILE 66 -6.812 -1.042 -2.716 519 HG21 ILE 66 1HG2 ILE 66 -5.643 -2.184 -5.527 520 HG22 ILE 66 2HG2 ILE 66 -6.440 -0.889 -6.421 521 HG23 ILE 66 3HG2 ILE 66 -7.290 -1.709 -5.112 522 HD11 ILE 66 3HD1 ILE 66 -5.571 -2.968 -3.527 523 HD12 ILE 66 1HD1 ILE 66 -5.106 -2.559 -1.877 524 HD13 ILE 66 2HD1 ILE 66 -4.051 -2.126 -3.223 525 H ASN 67 H ASN 67 -5.078 2.218 -6.077 526 HA ASN 67 HA ASN 67 -5.333 1.223 -8.701 527 HB2 ASN 67 2HB ASN 67 -6.407 3.303 -7.757 528 HB3 ASN 67 1HB ASN 67 -4.846 4.100 -7.923 529 HD21 ASN 67 1HD2 ASN 67 -7.395 4.700 -9.191 530 HD22 ASN 67 2HD2 ASN 67 -7.112 4.632 -10.894 531 H ILE 68 H ILE 68 -2.693 2.949 -7.084 532 HA ILE 68 HA ILE 68 -1.081 3.206 -9.415 533 HB ILE 68 HB ILE 68 -0.248 3.307 -6.513 534 HG12 ILE 68 2HG1 ILE 68 -0.897 5.582 -8.398 535 HG13 ILE 68 1HG1 ILE 68 -2.014 4.951 -7.192 536 HG21 ILE 68 1HG2 ILE 68 1.683 4.595 -7.359 537 HG22 ILE 68 2HG2 ILE 68 1.161 4.250 -9.008 538 HG23 ILE 68 3HG2 ILE 68 1.660 2.933 -7.948 539 HD11 ILE 68 3HD1 ILE 68 -0.519 5.614 -5.415 540 HD12 ILE 68 1HD1 ILE 68 -0.879 6.991 -6.456 541 HD13 ILE 68 2HD1 ILE 68 0.673 6.165 -6.593 542 H PHE 69 H PHE 69 -1.113 0.895 -6.730 543 HA PHE 69 HA PHE 69 1.200 -0.522 -7.579 544 HB2 PHE 69 2HB PHE 69 0.459 -0.566 -5.254 545 HB3 PHE 69 1HB PHE 69 -1.034 -1.365 -5.727 546 HD1 PHE 69 2HD PHE 69 2.647 -1.849 -6.133 547 HD2 PHE 69 1HD PHE 69 -1.149 -3.624 -5.401 548 HE1 PHE 69 2HE PHE 69 3.730 -4.040 -5.857 549 HE2 PHE 69 1HE PHE 69 -0.074 -5.820 -5.125 550 HZ PHE 69 HZ PHE 69 2.369 -6.029 -5.353 551 H GLN 70 H GLN 70 -2.268 -1.050 -8.066 552 HA GLN 70 HA GLN 70 -2.055 -3.628 -9.163 553 HB2 GLN 70 2HB GLN 70 -4.328 -3.350 -9.903 554 HB3 GLN 70 1HB GLN 70 -4.155 -2.636 -8.311 555 HG2 GLN 70 2HG GLN 70 -4.028 -0.411 -9.347 556 HG3 GLN 70 1HG GLN 70 -4.273 -1.155 -10.926 557 HE21 GLN 70 1HE2 GLN 70 -6.282 -2.022 -11.443 558 HE22 GLN 70 2HE2 GLN 70 -7.708 -1.624 -10.553 559 H LYS 71 H LYS 71 -2.489 -0.529 -10.863 560 HA LYS 71 HA LYS 71 -2.252 -1.644 -13.442 561 HB2 LYS 71 2HB LYS 71 -3.350 0.523 -12.877 562 HB3 LYS 71 1HB LYS 71 -1.756 1.214 -12.610 563 HG2 LYS 71 2HG LYS 71 -1.173 0.891 -14.916 564 HG3 LYS 71 1HG LYS 71 -2.683 0.027 -15.215 565 HD2 LYS 71 2HD LYS 71 -3.944 2.055 -14.664 566 HD3 LYS 71 1HD LYS 71 -2.430 2.916 -14.379 567 HE2 LYS 71 2HE LYS 71 -1.786 2.596 -16.695 568 HE3 LYS 71 1HE LYS 71 -3.245 1.656 -16.994 569 HZ1 LYS 71 3HZ LYS 71 -3.471 3.940 -17.761 570 HZ2 LYS 71 1HZ LYS 71 -3.178 4.517 -16.197 571 HZ3 LYS 71 2HZ LYS 71 -4.570 3.612 -16.518 572 H LEU 72 H LEU 72 0.140 -1.238 -11.117 573 HA LEU 72 HA LEU 72 2.217 -0.658 -13.110 574 HB2 LEU 72 2HB LEU 72 1.851 -0.188 -10.282 575 HB3 LEU 72 1HB LEU 72 3.407 -0.913 -10.620 576 HG LEU 72 HG LEU 72 3.514 1.528 -10.536 577 HD11 LEU 72 1HD1 LEU 72 5.126 0.342 -11.898 578 HD12 LEU 72 2HD1 LEU 72 4.696 1.872 -12.663 579 HD13 LEU 72 3HD1 LEU 72 4.016 0.362 -13.268 580 HD21 LEU 72 3HD2 LEU 72 1.686 1.433 -12.930 581 HD22 LEU 72 1HD2 LEU 72 2.491 2.873 -12.308 582 HD23 LEU 72 2HD2 LEU 72 1.275 2.051 -11.330 583 H ASN 73 H ASN 73 1.447 -3.138 -10.640 584 HA ASN 73 HA ASN 73 3.480 -4.809 -11.970 585 HB2 ASN 73 2HB ASN 73 2.857 -4.796 -9.021 586 HB3 ASN 73 1HB ASN 73 4.062 -5.797 -9.825 587 HD21 ASN 73 1HD2 ASN 73 5.940 -4.833 -10.635 588 HD22 ASN 73 2HD2 ASN 73 6.466 -3.281 -10.092 589 H TYR 74 H TYR 74 0.586 -5.063 -9.903 590 HA TYR 74 HA TYR 74 -0.094 -7.534 -11.337 591 HB2 TYR 74 2HB TYR 74 0.011 -7.279 -8.331 592 HB3 TYR 74 1HB TYR 74 -0.690 -8.645 -9.195 593 HD1 TYR 74 2HD TYR 74 0.738 -10.227 -10.385 594 HD2 TYR 74 1HD TYR 74 2.409 -6.970 -8.223 595 HE1 TYR 74 2HE TYR 74 2.946 -11.300 -10.493 596 HE2 TYR 74 1HE TYR 74 4.624 -8.034 -8.325 597 HH TYR 74 HH TYR 74 5.577 -10.278 -8.613 598 H MET 75 H MET 75 -1.521 -5.672 -12.211 599 HA MET 75 HA MET 75 -3.584 -4.519 -10.809 600 HB2 MET 75 2HB MET 75 -4.770 -4.337 -12.936 601 HB3 MET 75 1HB MET 75 -3.062 -3.972 -13.132 602 HG2 MET 75 2HG MET 75 -2.667 -6.172 -14.062 603 HG3 MET 75 1HG MET 75 -4.354 -6.608 -13.798 604 HE1 MET 75 3HE MET 75 -4.646 -7.330 -16.377 605 HE2 MET 75 1HE MET 75 -2.923 -6.993 -16.545 606 HE3 MET 75 2HE MET 75 -4.069 -6.325 -17.706 607 H HIS 76 H HIS 76 -3.258 -7.852 -11.735 608 HA HIS 76 HA HIS 76 -6.057 -8.441 -11.369 609 HB2 HIS 76 2HB HIS 76 -5.429 -10.773 -11.744 610 HB3 HIS 76 1HB HIS 76 -4.749 -9.727 -12.984 611 HD1 HIS 76 1HD HIS 76 -2.162 -9.534 -13.076 612 HD2 HIS 76 2HD HIS 76 -3.591 -11.986 -10.042 613 HE1 HIS 76 1HE HIS 76 -0.168 -10.821 -12.204 614 H ILE 77 H ILE 77 -3.120 -8.666 -9.439 615 HA ILE 77 HA ILE 77 -4.251 -10.253 -7.359 616 HB ILE 77 HB ILE 77 -1.814 -8.486 -7.466 617 HG12 ILE 77 2HG1 ILE 77 -2.208 -11.480 -7.273 618 HG13 ILE 77 1HG1 ILE 77 -1.667 -10.588 -8.690 619 HG21 ILE 77 1HG2 ILE 77 -1.188 -9.345 -5.251 620 HG22 ILE 77 2HG2 ILE 77 -2.762 -10.130 -5.120 621 HG23 ILE 77 3HG2 ILE 77 -2.656 -8.371 -5.189 622 HD11 ILE 77 3HD1 ILE 77 0.340 -9.889 -7.393 623 HD12 ILE 77 1HD1 ILE 77 0.225 -11.624 -7.684 624 HD13 ILE 77 2HD1 ILE 77 -0.188 -10.967 -6.101 625 H ALA 78 H ALA 78 -3.612 -6.766 -7.646 626 HA ALA 78 HA ALA 78 -4.590 -5.992 -5.156 627 HB1 ALA 78 1HB ALA 78 -4.767 -3.754 -6.080 628 HB2 ALA 78 2HB ALA 78 -4.647 -4.404 -7.715 629 HB3 ALA 78 3HB ALA 78 -3.275 -4.529 -6.614 630 H ASN 79 H ASN 79 -6.293 -6.774 -8.103 631 HA ASN 79 HA ASN 79 -8.738 -5.552 -7.692 632 HB2 ASN 79 2HB ASN 79 -8.236 -6.741 -9.749 633 HB3 ASN 79 1HB ASN 79 -8.171 -8.274 -8.884 634 HD21 ASN 79 1HD2 ASN 79 -10.229 -5.750 -10.100 635 HD22 ASN 79 2HD2 ASN 79 -11.715 -6.620 -9.965 636 H ALA 80 H ALA 80 -7.552 -8.612 -6.362 637 HA ALA 80 HA ALA 80 -9.993 -9.259 -5.037 638 HB1 ALA 80 1HB ALA 80 -8.705 -11.010 -3.935 639 HB2 ALA 80 2HB ALA 80 -7.207 -10.294 -4.531 640 HB3 ALA 80 3HB ALA 80 -8.372 -10.976 -5.666 641 H LEU 81 H LEU 81 -7.115 -7.473 -4.163 642 HA LEU 81 HA LEU 81 -7.585 -7.420 -1.360 643 HB2 LEU 81 2HB LEU 81 -5.995 -5.470 -3.025 644 HB3 LEU 81 1HB LEU 81 -5.876 -5.699 -1.290 645 HG LEU 81 HG LEU 81 -5.136 -7.764 -3.368 646 HD11 LEU 81 1HD1 LEU 81 -2.834 -7.305 -2.711 647 HD12 LEU 81 2HD1 LEU 81 -3.391 -6.030 -1.626 648 HD13 LEU 81 3HD1 LEU 81 -3.607 -5.862 -3.368 649 HD21 LEU 81 3HD2 LEU 81 -5.913 -8.755 -1.271 650 HD22 LEU 81 1HD2 LEU 81 -4.768 -7.758 -0.373 651 HD23 LEU 81 2HD2 LEU 81 -4.178 -8.991 -1.488 652 H GLU 82 H GLU 82 -8.273 -5.096 -3.965 653 HA GLU 82 HA GLU 82 -9.272 -3.029 -2.378 654 HB2 GLU 82 2HB GLU 82 -10.305 -2.164 -4.380 655 HB3 GLU 82 1HB GLU 82 -8.727 -2.821 -4.788 656 HG2 GLU 82 2HG GLU 82 -9.732 -4.797 -5.712 657 HG3 GLU 82 1HG GLU 82 -11.330 -4.274 -5.186 658 H GLU 83 H GLU 83 -10.706 -6.039 -3.333 659 HA GLU 83 HA GLU 83 -13.420 -5.438 -3.045 660 HB2 GLU 83 2HB GLU 83 -12.660 -7.526 -4.031 661 HB3 GLU 83 1HB GLU 83 -11.945 -8.021 -2.505 662 HG2 GLU 83 2HG GLU 83 -14.188 -8.061 -1.495 663 HG3 GLU 83 1HG GLU 83 -14.877 -7.635 -3.061 664 H LYS 84 H LYS 84 -10.947 -6.142 -0.678 665 HA LYS 84 HA LYS 84 -12.561 -6.667 1.548 666 HB2 LYS 84 2HB LYS 84 -10.087 -7.032 1.396 667 HB3 LYS 84 1HB LYS 84 -9.870 -5.296 1.566 668 HG2 LYS 84 2HG LYS 84 -9.519 -6.398 3.686 669 HG3 LYS 84 1HG LYS 84 -10.959 -5.382 3.761 670 HD2 LYS 84 2HD LYS 84 -11.407 -7.492 4.848 671 HD3 LYS 84 1HD LYS 84 -12.350 -7.390 3.360 672 HE2 LYS 84 2HE LYS 84 -10.621 -8.740 2.218 673 HE3 LYS 84 1HE LYS 84 -9.770 -8.901 3.753 674 HZ1 LYS 84 3HZ LYS 84 -11.121 -10.837 3.328 675 HZ2 LYS 84 1HZ LYS 84 -12.508 -9.882 3.165 676 HZ3 LYS 84 2HZ LYS 84 -11.735 -10.000 4.665 677 H LYS 85 H LYS 85 -11.709 -3.677 -0.011 678 HA LYS 85 HA LYS 85 -12.082 -1.809 1.979 679 HB2 LYS 85 2HB LYS 85 -11.324 -1.171 -0.224 680 HB3 LYS 85 1HB LYS 85 -12.854 -1.660 -0.937 681 HG2 LYS 85 2HG LYS 85 -12.720 0.750 -0.764 682 HG3 LYS 85 1HG LYS 85 -13.995 0.126 0.283 683 HD2 LYS 85 2HD LYS 85 -12.523 0.322 2.215 684 HD3 LYS 85 1HD LYS 85 -11.215 0.892 1.176 685 HE2 LYS 85 2HE LYS 85 -12.555 2.845 0.566 686 HE3 LYS 85 1HE LYS 85 -13.863 2.273 1.599 687 HZ1 LYS 85 3HZ LYS 85 -11.136 2.975 2.544 688 HZ2 LYS 85 1HZ LYS 85 -12.445 2.516 3.514 689 HZ3 LYS 85 2HZ LYS 85 -12.491 3.980 2.668 690 H LYS 86 H LYS 86 -14.517 -3.597 0.177 691 HA LYS 86 HA LYS 86 -16.779 -2.117 0.866 692 HB2 LYS 86 2HB LYS 86 -16.563 -5.109 0.492 693 HB3 LYS 86 1HB LYS 86 -18.053 -4.177 0.446 694 HG2 LYS 86 2HG LYS 86 -17.113 -2.918 -1.494 695 HG3 LYS 86 1HG LYS 86 -15.758 -4.048 -1.493 696 HD2 LYS 86 2HD LYS 86 -18.608 -4.987 -1.651 697 HD3 LYS 86 1HD LYS 86 -17.701 -4.524 -3.091 698 HE2 LYS 86 2HE LYS 86 -17.508 -6.887 -2.851 699 HE3 LYS 86 1HE LYS 86 -15.952 -6.182 -2.419 700 HZ1 LYS 86 3HZ LYS 86 -18.006 -6.924 -0.414 701 HZ2 LYS 86 1HZ LYS 86 -16.390 -6.514 -0.131 702 HZ3 LYS 86 2HZ LYS 86 -16.770 -7.970 -0.902 703 H GLU 87 H GLU 87 -15.113 -4.702 2.601 704 HA GLU 87 HA GLU 87 -16.998 -4.744 4.765 705 HB2 GLU 87 2HB GLU 87 -15.672 -6.733 4.125 706 HB3 GLU 87 1HB GLU 87 -14.204 -5.895 4.611 707 HG2 GLU 87 2HG GLU 87 -14.970 -5.817 6.905 708 HG3 GLU 87 1HG GLU 87 -16.497 -6.567 6.441 709 H ALA 88 H ALA 88 -14.045 -3.065 4.026 710 HA ALA 88 HA ALA 88 -13.247 -2.266 6.578 711 HB1 ALA 88 1HB ALA 88 -11.884 -1.989 4.552 712 HB2 ALA 88 2HB ALA 88 -12.021 -0.491 5.473 713 HB3 ALA 88 3HB ALA 88 -12.975 -0.715 4.008 714 H GLU 89 H GLU 89 -15.827 -1.122 4.543 715 HA GLU 89 HA GLU 89 -16.289 1.418 5.515 716 HB2 GLU 89 2HB GLU 89 -18.297 -0.679 4.682 717 HB3 GLU 89 1HB GLU 89 -18.686 1.016 4.937 718 HG2 GLU 89 2HG GLU 89 -17.122 1.636 3.160 719 HG3 GLU 89 1HG GLU 89 -16.760 -0.069 2.896 720 H ARG 90 H ARG 90 -17.748 -1.600 6.765 721 HA ARG 90 HA ARG 90 -18.977 -0.314 8.977 722 HB2 ARG 90 2HB ARG 90 -19.408 -2.582 9.811 723 HB3 ARG 90 1HB ARG 90 -19.832 -2.424 8.113 724 HG2 ARG 90 2HG ARG 90 -17.751 -3.529 7.485 725 HG3 ARG 90 1HG ARG 90 -17.316 -3.681 9.188 726 HD2 ARG 90 2HD ARG 90 -18.241 -5.767 8.392 727 HD3 ARG 90 1HD ARG 90 -19.344 -5.033 9.555 728 HE ARG 90 HE ARG 90 -20.003 -4.309 6.882 729 HH11 ARG 90 1HH1 ARG 90 -20.256 -6.893 9.208 730 HH12 ARG 90 2HH1 ARG 90 -21.690 -7.559 8.502 731 HH21 ARG 90 1HH2 ARG 90 -21.892 -5.181 5.947 732 HH22 ARG 90 2HH2 ARG 90 -22.619 -6.588 6.649 733 H LYS 91 H LYS 91 -15.775 -1.266 8.372 734 HA LYS 91 HA LYS 91 -15.045 -1.669 11.140 735 HB2 LYS 91 2HB LYS 91 -13.389 -1.448 8.622 736 HB3 LYS 91 1HB LYS 91 -12.715 -1.753 10.217 737 HG2 LYS 91 2HG LYS 91 -13.922 -3.838 10.374 738 HG3 LYS 91 1HG LYS 91 -14.725 -3.521 8.836 739 HD2 LYS 91 2HD LYS 91 -12.893 -5.083 8.523 740 HD3 LYS 91 1HD LYS 91 -12.541 -3.561 7.706 741 HE2 LYS 91 2HE LYS 91 -10.584 -4.446 8.897 742 HE3 LYS 91 1HE LYS 91 -11.097 -2.882 9.530 743 HZ1 LYS 91 3HZ LYS 91 -11.737 -5.519 10.740 744 HZ2 LYS 91 1HZ LYS 91 -12.190 -4.010 11.357 745 HZ3 LYS 91 2HZ LYS 91 -10.557 -4.445 11.299 746 H LEU 92 H LEU 92 -15.292 0.957 8.936 747 HA LEU 92 HA LEU 92 -13.531 2.679 10.483 748 HB2 LEU 92 2HB LEU 92 -15.227 3.259 8.052 749 HB3 LEU 92 1HB LEU 92 -14.115 4.392 8.796 750 HG LEU 92 HG LEU 92 -13.337 1.777 7.501 751 HD11 LEU 92 1HD1 LEU 92 -12.966 4.617 6.564 752 HD12 LEU 92 2HD1 LEU 92 -14.094 3.443 5.885 753 HD13 LEU 92 3HD1 LEU 92 -12.356 3.170 5.762 754 HD21 LEU 92 3HD2 LEU 92 -11.648 3.987 8.667 755 HD22 LEU 92 1HD2 LEU 92 -11.040 2.599 7.764 756 HD23 LEU 92 2HD2 LEU 92 -11.835 2.359 9.320 757 H MET 93 H MET 93 -16.953 2.146 9.937 758 HA MET 93 HA MET 93 -17.811 4.509 11.310 759 HB2 MET 93 2HB MET 93 -19.198 3.394 9.598 760 HB3 MET 93 1HB MET 93 -19.353 1.991 10.647 761 HG2 MET 93 2HG MET 93 -20.439 3.470 12.336 762 HG3 MET 93 1HG MET 93 -20.423 4.759 11.136 763 HE1 MET 93 3HE MET 93 -21.741 4.600 8.793 764 HE2 MET 93 1HE MET 93 -22.704 3.200 8.322 765 HE3 MET 93 2HE MET 93 -20.952 3.058 8.464 766 H THR 94 H THR 94 -17.081 1.219 12.193 767 HA THR 94 HA THR 94 -18.175 1.539 14.872 768 HB THR 94 HB THR 94 -16.718 -0.808 13.638 769 HG1 THR 94 1HG THR 94 -19.370 0.018 13.647 770 HG21 THR 94 3HG2 THR 94 -16.524 -0.812 16.064 771 HG22 THR 94 1HG2 THR 94 -17.633 -2.080 15.540 772 HG23 THR 94 2HG2 THR 94 -18.265 -0.582 16.222 773 H ASN 95 H ASN 95 -17.013 2.344 16.487 774 HA ASN 95 HA ASN 95 -14.125 2.589 16.188 775 HB2 ASN 95 2HB ASN 95 -14.344 3.999 18.284 776 HB3 ASN 95 1HB ASN 95 -15.169 4.617 16.857 777 HD21 ASN 95 1HD2 ASN 95 -17.434 4.480 16.744 778 HD22 ASN 95 2HD2 ASN 95 -18.393 4.295 18.169 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -10.176 -2.548 12.155 2 H2 MET 1 2HT MET 1 -10.103 -2.555 13.844 3 H3 MET 1 3HT MET 1 -8.722 -2.920 12.938 4 HA MET 1 HA MET 1 -10.109 -0.306 13.059 5 HB2 MET 1 2HB MET 1 -7.408 -1.204 14.081 6 HB3 MET 1 1HB MET 1 -7.969 0.461 14.072 7 HG2 MET 1 2HG MET 1 -8.323 -0.291 16.252 8 HG3 MET 1 1HG MET 1 -9.911 -0.344 15.490 9 HE1 MET 1 2HE MET 1 -10.877 -1.933 17.373 10 HE2 MET 1 3HE MET 1 -9.322 -1.826 18.198 11 HE3 MET 1 1HE MET 1 -10.064 -3.400 17.917 12 H GLU 2 H GLU 2 -8.601 1.424 12.134 13 HA GLU 2 HA GLU 2 -8.193 0.864 9.396 14 HB2 GLU 2 2HB GLU 2 -7.286 3.137 9.261 15 HB3 GLU 2 1HB GLU 2 -8.779 3.098 10.189 16 HG2 GLU 2 2HG GLU 2 -7.309 3.005 12.259 17 HG3 GLU 2 1HG GLU 2 -5.970 3.428 11.189 18 H SER 3 H SER 3 -6.101 0.789 12.176 19 HA SER 3 HA SER 3 -3.607 0.915 10.905 20 HB2 SER 3 2HB SER 3 -4.397 -0.559 13.431 21 HB3 SER 3 1HB SER 3 -2.739 -0.221 12.931 22 HG SER 3 HG SER 3 -3.743 1.305 14.452 23 H GLU 4 H GLU 4 -5.743 -1.829 11.563 24 HA GLU 4 HA GLU 4 -3.914 -3.776 10.530 25 HB2 GLU 4 2HB GLU 4 -6.887 -4.003 11.035 26 HB3 GLU 4 1HB GLU 4 -5.788 -5.344 10.739 27 HG2 GLU 4 2HG GLU 4 -4.576 -4.792 12.795 28 HG3 GLU 4 1HG GLU 4 -5.708 -3.474 13.096 29 H TYR 5 H TYR 5 -6.470 -1.808 9.213 30 HA TYR 5 HA TYR 5 -6.894 -3.294 6.835 31 HB2 TYR 5 2HB TYR 5 -8.568 -1.723 7.592 32 HB3 TYR 5 1HB TYR 5 -7.424 -0.389 7.482 33 HD1 TYR 5 2HD TYR 5 -8.731 -3.100 5.248 34 HD2 TYR 5 1HD TYR 5 -7.693 1.005 5.674 35 HE1 TYR 5 2HE TYR 5 -9.441 -2.685 2.930 36 HE2 TYR 5 1HE TYR 5 -8.401 1.429 3.358 37 HH TYR 5 HH TYR 5 -8.682 0.138 1.252 38 H ARG 6 H ARG 6 -4.683 -0.694 7.698 39 HA ARG 6 HA ARG 6 -3.753 -0.370 4.985 40 HB2 ARG 6 2HB ARG 6 -2.180 1.244 5.939 41 HB3 ARG 6 1HB ARG 6 -3.818 1.549 6.500 42 HG2 ARG 6 2HG ARG 6 -3.292 0.421 8.614 43 HG3 ARG 6 1HG ARG 6 -1.640 0.164 8.050 44 HD2 ARG 6 2HD ARG 6 -1.659 2.084 9.479 45 HD3 ARG 6 1HD ARG 6 -1.402 2.628 7.822 46 HE ARG 6 HE ARG 6 -3.934 3.046 7.897 47 HH11 ARG 6 1HH1 ARG 6 -1.773 3.395 10.610 48 HH12 ARG 6 2HH1 ARG 6 -2.740 4.601 11.389 49 HH21 ARG 6 1HH2 ARG 6 -5.212 4.634 8.918 50 HH22 ARG 6 2HH2 ARG 6 -4.693 5.305 10.428 51 H GLU 7 H GLU 7 -2.508 -1.789 7.977 52 HA GLU 7 HA GLU 7 0.069 -2.401 7.144 53 HB2 GLU 7 2HB GLU 7 -0.732 -2.541 9.469 54 HB3 GLU 7 1HB GLU 7 -1.671 -3.967 9.052 55 HG2 GLU 7 2HG GLU 7 0.360 -5.189 8.546 56 HG3 GLU 7 1HG GLU 7 1.327 -3.752 8.879 57 H MET 8 H MET 8 -2.798 -4.537 7.051 58 HA MET 8 HA MET 8 -1.414 -6.665 5.767 59 HB2 MET 8 2HB MET 8 -4.395 -6.218 5.771 60 HB3 MET 8 1HB MET 8 -3.539 -7.744 5.595 61 HG2 MET 8 2HG MET 8 -3.615 -6.029 8.061 62 HG3 MET 8 1HG MET 8 -4.512 -7.524 7.804 63 HE1 MET 8 3HE MET 8 -1.824 -8.530 10.486 64 HE2 MET 8 1HE MET 8 -3.539 -8.574 10.076 65 HE3 MET 8 2HE MET 8 -2.736 -7.027 10.343 66 H LEU 9 H LEU 9 -3.661 -4.197 4.574 67 HA LEU 9 HA LEU 9 -3.893 -5.067 1.951 68 HB2 LEU 9 2HB LEU 9 -5.258 -3.307 3.014 69 HB3 LEU 9 1HB LEU 9 -3.885 -2.221 2.941 70 HG LEU 9 HG LEU 9 -4.812 -3.433 0.386 71 HD11 LEU 9 1HD1 LEU 9 -6.260 -1.203 1.808 72 HD12 LEU 9 2HD1 LEU 9 -6.911 -2.792 1.403 73 HD13 LEU 9 3HD1 LEU 9 -6.494 -1.655 0.120 74 HD21 LEU 9 3HD2 LEU 9 -4.231 -1.138 -0.409 75 HD22 LEU 9 1HD2 LEU 9 -2.885 -2.016 0.317 76 HD23 LEU 9 2HD2 LEU 9 -3.712 -0.758 1.232 77 H LEU 10 H LEU 10 -1.301 -3.273 3.475 78 HA LEU 10 HA LEU 10 -0.036 -2.647 0.952 79 HB2 LEU 10 2HB LEU 10 0.876 -2.276 3.797 80 HB3 LEU 10 1HB LEU 10 1.780 -1.742 2.393 81 HG LEU 10 HG LEU 10 -1.020 -0.794 2.963 82 HD11 LEU 10 1HD1 LEU 10 0.458 -0.232 4.851 83 HD12 LEU 10 2HD1 LEU 10 -0.063 1.192 3.950 84 HD13 LEU 10 3HD1 LEU 10 1.566 0.553 3.724 85 HD21 LEU 10 3HD2 LEU 10 -0.220 -0.544 0.667 86 HD22 LEU 10 1HD2 LEU 10 1.205 0.314 1.254 87 HD23 LEU 10 2HD2 LEU 10 -0.398 1.021 1.460 88 H LEU 11 H LEU 11 0.984 -4.523 3.815 89 HA LEU 11 HA LEU 11 3.266 -5.622 2.658 90 HB2 LEU 11 2HB LEU 11 3.377 -7.079 4.506 91 HB3 LEU 11 1HB LEU 11 2.676 -5.585 5.089 92 HG LEU 11 HG LEU 11 0.400 -6.859 4.656 93 HD11 LEU 11 1HD1 LEU 11 1.318 -8.855 3.677 94 HD12 LEU 11 2HD1 LEU 11 0.638 -9.252 5.253 95 HD13 LEU 11 3HD1 LEU 11 2.384 -9.092 5.061 96 HD21 LEU 11 3HD2 LEU 11 1.205 -5.980 6.802 97 HD22 LEU 11 1HD2 LEU 11 2.170 -7.438 7.025 98 HD23 LEU 11 2HD2 LEU 11 0.409 -7.544 6.982 99 H THR 12 H THR 12 -0.054 -6.517 2.206 100 HA THR 12 HA THR 12 0.343 -9.210 1.437 101 HB THR 12 HB THR 12 -1.894 -8.267 1.984 102 HG1 THR 12 1HG THR 12 -2.940 -9.521 0.432 103 HG21 THR 12 3HG2 THR 12 -3.117 -6.991 0.335 104 HG22 THR 12 1HG2 THR 12 -1.745 -7.045 -0.773 105 HG23 THR 12 2HG2 THR 12 -1.624 -6.143 0.736 106 H GLY 13 H GLY 13 1.475 -6.446 -0.000 107 HA2 GLY 13 2HA GLY 13 1.577 -7.767 -2.641 108 HA3 GLY 13 1HA GLY 13 1.443 -6.026 -2.456 109 H LEU 14 H LEU 14 3.307 -5.567 -0.445 110 HA LEU 14 HA LEU 14 5.694 -5.402 -1.881 111 HB2 LEU 14 2HB LEU 14 5.067 -5.173 1.047 112 HB3 LEU 14 1HB LEU 14 6.713 -5.036 0.466 113 HG LEU 14 HG LEU 14 5.831 -2.831 0.767 114 HD11 LEU 14 1HD1 LEU 14 6.085 -1.898 -1.459 115 HD12 LEU 14 2HD1 LEU 14 5.853 -3.494 -2.173 116 HD13 LEU 14 3HD1 LEU 14 7.272 -3.170 -1.177 117 HD21 LEU 14 3HD2 LEU 14 3.559 -3.697 -1.015 118 HD22 LEU 14 1HD2 LEU 14 3.847 -2.047 -0.463 119 HD23 LEU 14 2HD2 LEU 14 3.465 -3.313 0.704 120 H ASP 15 H ASP 15 4.678 -7.740 0.578 121 HA ASP 15 HA ASP 15 7.160 -9.189 0.472 122 HB2 ASP 15 2HB ASP 15 5.792 -9.073 2.529 123 HB3 ASP 15 1HB ASP 15 4.512 -9.967 1.713 124 H HIS 16 H HIS 16 4.668 -8.967 -1.652 125 HA HIS 16 HA HIS 16 4.947 -11.764 -2.533 126 HB2 HIS 16 2HB HIS 16 2.707 -9.804 -3.068 127 HB3 HIS 16 1HB HIS 16 2.797 -11.438 -3.718 128 HD1 HIS 16 1HD HIS 16 2.804 -9.823 -0.247 129 HD2 HIS 16 2HD HIS 16 1.456 -13.212 -2.236 130 HE1 HIS 16 1HE HIS 16 1.485 -11.160 1.444 131 H ILE 17 H ILE 17 6.488 -9.117 -3.101 132 HA ILE 17 HA ILE 17 6.599 -9.536 -6.011 133 HB ILE 17 HB ILE 17 7.030 -7.121 -6.326 134 HG12 ILE 17 2HG1 ILE 17 6.154 -6.888 -3.437 135 HG13 ILE 17 1HG1 ILE 17 7.797 -6.641 -4.021 136 HG21 ILE 17 1HG2 ILE 17 4.391 -7.750 -5.011 137 HG22 ILE 17 2HG2 ILE 17 4.806 -8.063 -6.695 138 HG23 ILE 17 3HG2 ILE 17 4.711 -6.405 -6.105 139 HD11 ILE 17 3HD1 ILE 17 5.381 -4.980 -4.697 140 HD12 ILE 17 1HD1 ILE 17 6.988 -4.755 -5.386 141 HD13 ILE 17 2HD1 ILE 17 6.729 -4.520 -3.658 142 H THR 18 H THR 18 8.642 -8.285 -6.877 143 HA THR 18 HA THR 18 10.894 -9.282 -5.302 144 HB THR 18 HB THR 18 12.226 -9.030 -7.330 145 HG1 THR 18 1HG THR 18 10.160 -8.446 -9.024 146 HG21 THR 18 3HG2 THR 18 9.575 -10.344 -7.939 147 HG22 THR 18 1HG2 THR 18 10.894 -11.087 -7.032 148 HG23 THR 18 2HG2 THR 18 11.115 -10.675 -8.732 149 H GLU 19 H GLU 19 12.973 -7.892 -5.652 150 HA GLU 19 HA GLU 19 12.544 -5.435 -4.309 151 HB2 GLU 19 2HB GLU 19 15.016 -6.552 -5.638 152 HB3 GLU 19 1HB GLU 19 14.996 -5.114 -4.626 153 HG2 GLU 19 2HG GLU 19 14.258 -6.439 -2.728 154 HG3 GLU 19 1HG GLU 19 14.220 -7.883 -3.737 155 H GLU 20 H GLU 20 13.489 -6.204 -7.649 156 HA GLU 20 HA GLU 20 13.927 -3.609 -8.554 157 HB2 GLU 20 2HB GLU 20 13.417 -4.520 -10.819 158 HB3 GLU 20 1HB GLU 20 14.576 -5.477 -9.908 159 HG2 GLU 20 2HG GLU 20 12.838 -7.079 -9.344 160 HG3 GLU 20 1HG GLU 20 11.650 -6.108 -10.215 161 H GLU 21 H GLU 21 10.913 -5.462 -8.394 162 HA GLU 21 HA GLU 21 9.353 -3.379 -9.606 163 HB2 GLU 21 2HB GLU 21 8.516 -5.845 -8.067 164 HB3 GLU 21 1HB GLU 21 7.417 -4.783 -8.935 165 HG2 GLU 21 2HG GLU 21 9.654 -6.379 -10.165 166 HG3 GLU 21 1HG GLU 21 7.941 -6.796 -10.208 167 H LEU 22 H LEU 22 10.303 -4.267 -6.388 168 HA LEU 22 HA LEU 22 8.332 -2.912 -4.916 169 HB2 LEU 22 2HB LEU 22 10.279 -4.552 -4.214 170 HB3 LEU 22 1HB LEU 22 11.148 -3.056 -3.935 171 HG LEU 22 HG LEU 22 8.494 -3.711 -2.656 172 HD11 LEU 22 1HD1 LEU 22 10.178 -5.313 -1.932 173 HD12 LEU 22 2HD1 LEU 22 9.774 -4.194 -0.630 174 HD13 LEU 22 3HD1 LEU 22 11.278 -3.993 -1.530 175 HD21 LEU 22 3HD2 LEU 22 8.923 -1.342 -2.764 176 HD22 LEU 22 1HD2 LEU 22 10.551 -1.571 -2.128 177 HD23 LEU 22 2HD2 LEU 22 9.151 -1.898 -1.106 178 H LYS 23 H LYS 23 11.549 -1.847 -6.015 179 HA LYS 23 HA LYS 23 11.333 0.767 -4.943 180 HB2 LYS 23 2HB LYS 23 13.062 -0.249 -7.205 181 HB3 LYS 23 1HB LYS 23 13.261 1.296 -6.391 182 HG2 LYS 23 2HG LYS 23 13.637 0.051 -4.267 183 HG3 LYS 23 1HG LYS 23 13.616 -1.445 -5.203 184 HD2 LYS 23 2HD LYS 23 15.495 -0.602 -6.551 185 HD3 LYS 23 1HD LYS 23 15.529 0.860 -5.565 186 HE2 LYS 23 2HE LYS 23 16.017 -1.959 -4.612 187 HE3 LYS 23 1HE LYS 23 17.234 -0.700 -4.823 188 HZ1 LYS 23 3HZ LYS 23 16.124 0.600 -3.108 189 HZ2 LYS 23 1HZ LYS 23 16.590 -0.914 -2.511 190 HZ3 LYS 23 2HZ LYS 23 14.971 -0.619 -2.901 191 H ARG 24 H ARG 24 10.336 -0.690 -7.953 192 HA ARG 24 HA ARG 24 9.959 1.645 -9.472 193 HB2 ARG 24 2HB ARG 24 9.947 -0.507 -10.550 194 HB3 ARG 24 1HB ARG 24 8.577 -1.038 -9.585 195 HG2 ARG 24 2HG ARG 24 7.156 0.617 -10.686 196 HG3 ARG 24 1HG ARG 24 8.531 1.153 -11.654 197 HD2 ARG 24 2HD ARG 24 7.422 -1.652 -11.656 198 HD3 ARG 24 1HD ARG 24 7.009 -0.415 -12.842 199 HE ARG 24 HE ARG 24 9.827 -0.812 -12.642 200 HH11 ARG 24 1HH1 ARG 24 6.903 -2.107 -14.023 201 HH12 ARG 24 2HH1 ARG 24 7.714 -2.862 -15.354 202 HH21 ARG 24 1HH2 ARG 24 10.903 -1.801 -14.395 203 HH22 ARG 24 2HH2 ARG 24 9.985 -2.686 -15.567 204 H PHE 25 H PHE 25 7.730 -0.149 -7.369 205 HA PHE 25 HA PHE 25 5.475 1.468 -7.828 206 HB2 PHE 25 2HB PHE 25 5.260 -0.733 -6.827 207 HB3 PHE 25 1HB PHE 25 6.208 -0.227 -5.433 208 HD1 PHE 25 2HD PHE 25 3.226 1.055 -7.283 209 HD2 PHE 25 1HD PHE 25 4.988 0.092 -3.532 210 HE1 PHE 25 2HE PHE 25 1.166 1.762 -6.138 211 HE2 PHE 25 1HE PHE 25 2.931 0.796 -2.380 212 HZ PHE 25 HZ PHE 25 1.017 1.634 -3.684 213 H LYS 26 H LYS 26 7.714 1.458 -5.051 214 HA LYS 26 HA LYS 26 6.680 3.664 -3.717 215 HB2 LYS 26 2HB LYS 26 9.494 2.585 -3.842 216 HB3 LYS 26 1HB LYS 26 9.006 3.874 -2.752 217 HG2 LYS 26 2HG LYS 26 7.463 2.417 -1.628 218 HG3 LYS 26 1HG LYS 26 7.761 1.134 -2.801 219 HD2 LYS 26 2HD LYS 26 9.001 0.620 -0.825 220 HD3 LYS 26 1HD LYS 26 10.151 1.123 -2.064 221 HE2 LYS 26 2HE LYS 26 9.081 3.201 -0.233 222 HE3 LYS 26 1HE LYS 26 10.249 2.055 0.419 223 HZ1 LYS 26 3HZ LYS 26 11.335 4.033 -0.440 224 HZ2 LYS 26 1HZ LYS 26 10.663 3.773 -1.970 225 HZ3 LYS 26 2HZ LYS 26 11.786 2.676 -1.342 226 H TYR 27 H TYR 27 8.907 3.515 -6.421 227 HA TYR 27 HA TYR 27 9.736 6.229 -6.336 228 HB2 TYR 27 2HB TYR 27 10.936 4.394 -7.541 229 HB3 TYR 27 1HB TYR 27 9.641 4.392 -8.734 230 HD1 TYR 27 2HD TYR 27 9.420 6.218 -10.336 231 HD2 TYR 27 1HD TYR 27 12.551 6.202 -7.453 232 HE1 TYR 27 2HE TYR 27 10.587 7.977 -11.600 233 HE2 TYR 27 1HE TYR 27 13.724 7.960 -8.709 234 HH TYR 27 HH TYR 27 12.262 9.748 -11.180 235 H PHE 28 H PHE 28 7.071 4.544 -7.878 236 HA PHE 28 HA PHE 28 6.265 6.751 -9.504 237 HB2 PHE 28 2HB PHE 28 5.780 4.227 -9.825 238 HB3 PHE 28 1HB PHE 28 4.451 4.495 -8.701 239 HD1 PHE 28 2HD PHE 28 5.780 5.234 -12.023 240 HD2 PHE 28 1HD PHE 28 2.520 5.781 -9.345 241 HE1 PHE 28 2HE PHE 28 4.389 6.037 -13.888 242 HE2 PHE 28 1HE PHE 28 1.122 6.585 -11.204 243 HZ PHE 28 HZ PHE 28 2.058 6.713 -13.479 244 H ALA 29 H ALA 29 4.868 5.265 -6.574 245 HA ALA 29 HA ALA 29 2.810 7.124 -6.216 246 HB1 ALA 29 1HB ALA 29 2.774 6.327 -3.864 247 HB2 ALA 29 2HB ALA 29 4.255 5.425 -4.188 248 HB3 ALA 29 3HB ALA 29 2.771 5.025 -5.053 249 H LEU 30 H LEU 30 6.033 7.016 -4.687 250 HA LEU 30 HA LEU 30 5.615 9.736 -3.693 251 HB2 LEU 30 2HB LEU 30 7.878 7.812 -3.141 252 HB3 LEU 30 1HB LEU 30 7.640 9.363 -2.364 253 HG LEU 30 HG LEU 30 6.936 7.737 -0.807 254 HD11 LEU 30 1HD1 LEU 30 4.549 8.171 -0.527 255 HD12 LEU 30 2HD1 LEU 30 4.469 8.803 -2.171 256 HD13 LEU 30 3HD1 LEU 30 5.431 9.638 -0.951 257 HD21 LEU 30 3HD2 LEU 30 6.754 5.872 -2.423 258 HD22 LEU 30 1HD2 LEU 30 5.187 6.502 -2.926 259 HD23 LEU 30 2HD2 LEU 30 5.418 5.933 -1.274 260 H THR 31 H THR 31 5.862 10.948 -5.575 261 HA THR 31 HA THR 31 8.331 10.677 -7.101 262 HB THR 31 HB THR 31 7.370 12.334 -8.624 263 HG1 THR 31 1HG THR 31 6.100 13.679 -7.509 264 HG21 THR 31 3HG2 THR 31 5.382 10.191 -7.864 265 HG22 THR 31 1HG2 THR 31 6.776 9.972 -8.922 266 HG23 THR 31 2HG2 THR 31 5.456 11.034 -9.412 267 H GLU 32 H GLU 32 6.600 13.224 -5.309 268 HA GLU 32 HA GLU 32 9.017 14.866 -5.321 269 HB2 GLU 32 2HB GLU 32 6.235 15.514 -4.335 270 HB3 GLU 32 1HB GLU 32 7.577 16.645 -4.444 271 HG2 GLU 32 2HG GLU 32 7.615 16.374 -6.867 272 HG3 GLU 32 1HG GLU 32 6.274 15.234 -6.760 273 H PHE 33 H PHE 33 7.340 12.698 -3.303 274 HA PHE 33 HA PHE 33 8.165 13.845 -0.801 275 HB2 PHE 33 2HB PHE 33 7.116 11.076 -1.416 276 HB3 PHE 33 1HB PHE 33 7.295 11.771 0.191 277 HD1 PHE 33 2HD PHE 33 6.029 14.019 0.593 278 HD2 PHE 33 1HD PHE 33 5.089 11.249 -2.502 279 HE1 PHE 33 2HE PHE 33 3.764 14.970 0.435 280 HE2 PHE 33 1HE PHE 33 2.824 12.198 -2.667 281 HZ PHE 33 HZ PHE 33 2.159 14.058 -1.196 282 H GLN 34 H GLN 34 9.545 11.735 -3.139 283 HA GLN 34 HA GLN 34 11.457 10.496 -3.218 284 HB2 GLN 34 2HB GLN 34 12.284 12.852 -3.078 285 HB3 GLN 34 1HB GLN 34 12.472 12.636 -1.343 286 HG2 GLN 34 2HG GLN 34 14.115 10.901 -1.700 287 HG3 GLN 34 1HG GLN 34 13.876 10.999 -3.444 288 HE21 GLN 34 1HE2 GLN 34 14.665 12.789 -4.566 289 HE22 GLN 34 2HE2 GLN 34 15.867 13.832 -3.894 290 H ILE 35 H ILE 35 10.162 8.893 -1.876 291 HA ILE 35 HA ILE 35 10.755 8.600 0.890 292 HB ILE 35 HB ILE 35 8.737 7.638 -0.176 293 HG12 ILE 35 2HG1 ILE 35 10.438 5.464 1.052 294 HG13 ILE 35 1HG1 ILE 35 9.730 6.776 1.990 295 HG21 ILE 35 1HG2 ILE 35 8.904 5.570 -1.462 296 HG22 ILE 35 2HG2 ILE 35 10.663 5.663 -1.391 297 HG23 ILE 35 3HG2 ILE 35 9.749 6.894 -2.263 298 HD11 ILE 35 3HD1 ILE 35 8.376 4.772 2.135 299 HD12 ILE 35 1HD1 ILE 35 8.216 4.731 0.379 300 HD13 ILE 35 2HD1 ILE 35 7.496 6.053 1.300 301 H ALA 36 H ALA 36 12.259 7.342 1.924 302 HA ALA 36 HA ALA 36 14.682 6.804 0.532 303 HB1 ALA 36 1HB ALA 36 15.519 6.025 2.679 304 HB2 ALA 36 2HB ALA 36 13.880 6.022 3.332 305 HB3 ALA 36 3HB ALA 36 14.641 7.543 2.865 306 H ARG 37 H ARG 37 15.270 5.041 -0.536 307 HA ARG 37 HA ARG 37 13.590 2.777 -0.776 308 HB2 ARG 37 2HB ARG 37 15.180 1.918 -2.289 309 HB3 ARG 37 1HB ARG 37 15.261 3.662 -2.486 310 HG2 ARG 37 2HG ARG 37 17.169 2.069 -0.788 311 HG3 ARG 37 1HG ARG 37 17.468 2.516 -2.468 312 HD2 ARG 37 2HD ARG 37 17.036 4.407 -0.157 313 HD3 ARG 37 1HD ARG 37 18.569 4.071 -0.962 314 HE ARG 37 HE ARG 37 16.660 4.977 -2.838 315 HH11 ARG 37 1HH1 ARG 37 18.675 6.110 -0.230 316 HH12 ARG 37 2HH1 ARG 37 18.801 7.720 -0.857 317 HH21 ARG 37 1HH2 ARG 37 16.824 7.092 -3.671 318 HH22 ARG 37 2HH2 ARG 37 17.747 8.279 -2.812 319 H SER 38 H SER 38 16.073 3.598 1.448 320 HA SER 38 HA SER 38 16.953 1.026 2.189 321 HB2 SER 38 2HB SER 38 16.817 3.559 3.843 322 HB3 SER 38 1HB SER 38 17.736 2.114 4.267 323 HG SER 38 HG SER 38 18.820 2.445 2.177 324 H THR 39 H THR 39 14.107 2.847 2.980 325 HA THR 39 HA THR 39 13.303 1.634 5.347 326 HB THR 39 HB THR 39 11.040 2.314 4.808 327 HG1 THR 39 1HG THR 39 11.207 3.432 2.454 328 HG21 THR 39 3HG2 THR 39 11.376 4.647 4.562 329 HG22 THR 39 1HG2 THR 39 12.872 4.411 3.659 330 HG23 THR 39 2HG2 THR 39 12.814 4.036 5.380 331 H LEU 40 H LEU 40 13.517 0.280 2.209 332 HA LEU 40 HA LEU 40 11.491 -1.550 2.036 333 HB2 LEU 40 2HB LEU 40 14.222 -1.360 1.017 334 HB3 LEU 40 1HB LEU 40 13.642 -3.009 1.143 335 HG LEU 40 HG LEU 40 11.659 -2.367 -0.223 336 HD11 LEU 40 1HD1 LEU 40 11.642 -0.277 -1.418 337 HD12 LEU 40 2HD1 LEU 40 13.166 0.203 -0.673 338 HD13 LEU 40 3HD1 LEU 40 11.714 0.044 0.315 339 HD21 LEU 40 3HD2 LEU 40 13.611 -3.432 -1.235 340 HD22 LEU 40 1HD2 LEU 40 14.344 -1.850 -1.496 341 HD23 LEU 40 2HD2 LEU 40 12.860 -2.285 -2.344 342 H ASP 41 H ASP 41 14.010 -1.533 4.379 343 HA ASP 41 HA ASP 41 14.299 -4.213 5.013 344 HB2 ASP 41 2HB ASP 41 15.644 -2.419 6.021 345 HB3 ASP 41 1HB ASP 41 14.235 -1.866 6.921 346 H VAL 42 H VAL 42 11.854 -1.927 6.184 347 HA VAL 42 HA VAL 42 10.089 -4.181 6.810 348 HB VAL 42 HB VAL 42 9.377 -3.060 8.917 349 HG11 VAL 42 1HG1 VAL 42 10.882 -4.962 9.001 350 HG12 VAL 42 2HG1 VAL 42 11.305 -3.798 10.256 351 HG13 VAL 42 3HG1 VAL 42 12.272 -3.899 8.784 352 HG21 VAL 42 3HG2 VAL 42 10.161 -0.812 8.441 353 HG22 VAL 42 1HG2 VAL 42 11.833 -1.371 8.453 354 HG23 VAL 42 2HG2 VAL 42 10.881 -1.405 9.938 355 H ALA 43 H ALA 43 10.455 -1.800 4.904 356 HA ALA 43 HA ALA 43 8.652 0.200 5.141 357 HB1 ALA 43 1HB ALA 43 8.502 0.237 2.705 358 HB2 ALA 43 2HB ALA 43 9.223 -1.370 2.644 359 HB3 ALA 43 3HB ALA 43 10.157 -0.007 3.259 360 H ASP 44 H ASP 44 7.866 -3.100 4.112 361 HA ASP 44 HA ASP 44 5.272 -2.561 3.251 362 HB2 ASP 44 2HB ASP 44 4.834 -4.971 3.658 363 HB3 ASP 44 1HB ASP 44 6.318 -4.673 2.759 364 H ARG 45 H ARG 45 6.249 -3.774 6.500 365 HA ARG 45 HA ARG 45 3.552 -3.372 7.413 366 HB2 ARG 45 2HB ARG 45 4.483 -4.124 9.632 367 HB3 ARG 45 1HB ARG 45 4.591 -5.269 8.304 368 HG2 ARG 45 2HG ARG 45 6.965 -4.518 7.979 369 HG3 ARG 45 1HG ARG 45 6.803 -3.610 9.484 370 HD2 ARG 45 2HD ARG 45 6.282 -5.663 10.684 371 HD3 ARG 45 1HD ARG 45 6.393 -6.582 9.184 372 HE ARG 45 HE ARG 45 8.810 -5.276 9.472 373 HH11 ARG 45 1HH1 ARG 45 6.955 -7.627 11.257 374 HH12 ARG 45 2HH1 ARG 45 8.348 -8.396 11.941 375 HH21 ARG 45 1HH2 ARG 45 10.649 -6.286 10.367 376 HH22 ARG 45 2HH2 ARG 45 10.447 -7.635 11.435 377 H THR 46 H THR 46 6.644 -2.040 8.656 378 HA THR 46 HA THR 46 5.180 -0.107 10.219 379 HB THR 46 HB THR 46 8.155 -0.489 10.021 380 HG1 THR 46 1HG THR 46 7.913 -1.877 11.718 381 HG21 THR 46 3HG2 THR 46 8.171 0.646 12.206 382 HG22 THR 46 1HG2 THR 46 6.434 0.920 12.065 383 HG23 THR 46 2HG2 THR 46 7.543 1.687 10.928 384 H GLU 47 H GLU 47 7.856 0.296 7.867 385 HA GLU 47 HA GLU 47 7.736 3.124 8.066 386 HB2 GLU 47 2HB GLU 47 9.266 1.237 6.329 387 HB3 GLU 47 1HB GLU 47 9.366 2.978 6.090 388 HG2 GLU 47 2HG GLU 47 10.153 3.269 8.360 389 HG3 GLU 47 1HG GLU 47 9.967 1.544 8.667 390 H LEU 48 H LEU 48 7.040 1.129 5.147 391 HA LEU 48 HA LEU 48 6.210 3.326 3.619 392 HB2 LEU 48 2HB LEU 48 6.657 0.740 3.052 393 HB3 LEU 48 1HB LEU 48 4.905 0.727 3.068 394 HG LEU 48 HG LEU 48 6.551 2.603 1.371 395 HD11 LEU 48 1HD1 LEU 48 5.232 0.001 0.615 396 HD12 LEU 48 2HD1 LEU 48 6.968 0.301 0.706 397 HD13 LEU 48 3HD1 LEU 48 5.991 1.136 -0.502 398 HD21 LEU 48 3HD2 LEU 48 3.623 1.881 1.355 399 HD22 LEU 48 1HD2 LEU 48 4.429 2.884 0.150 400 HD23 LEU 48 2HD2 LEU 48 4.324 3.430 1.823 401 H ALA 49 H ALA 49 4.427 1.324 5.883 402 HA ALA 49 HA ALA 49 1.833 2.122 5.120 403 HB1 ALA 49 1HB ALA 49 2.792 1.205 7.826 404 HB2 ALA 49 2HB ALA 49 2.264 0.159 6.508 405 HB3 ALA 49 3HB ALA 49 1.117 1.255 7.276 406 H ASP 50 H ASP 50 3.865 3.278 7.816 407 HA ASP 50 HA ASP 50 2.087 5.346 8.570 408 HB2 ASP 50 2HB ASP 50 3.701 4.462 10.148 409 HB3 ASP 50 1HB ASP 50 5.036 4.987 9.126 410 H HIS 51 H HIS 51 4.775 5.211 6.326 411 HA HIS 51 HA HIS 51 5.245 7.952 6.012 412 HB2 HIS 51 2HB HIS 51 6.740 6.163 5.181 413 HB3 HIS 51 1HB HIS 51 5.556 5.777 3.936 414 HD1 HIS 51 1HD HIS 51 5.645 7.161 1.805 415 HD2 HIS 51 2HD HIS 51 7.962 8.731 4.874 416 HE1 HIS 51 1HE HIS 51 6.994 9.042 0.786 417 H LEU 52 H LEU 52 3.324 5.821 3.871 418 HA LEU 52 HA LEU 52 2.423 7.797 2.153 419 HB2 LEU 52 2HB LEU 52 0.518 6.244 1.663 420 HB3 LEU 52 1HB LEU 52 2.120 5.555 1.505 421 HG LEU 52 HG LEU 52 1.661 4.741 3.974 422 HD11 LEU 52 1HD1 LEU 52 -0.472 5.900 4.220 423 HD12 LEU 52 2HD1 LEU 52 -0.681 4.153 4.318 424 HD13 LEU 52 3HD1 LEU 52 -1.120 5.013 2.842 425 HD21 LEU 52 3HD2 LEU 52 2.128 3.228 2.195 426 HD22 LEU 52 1HD2 LEU 52 0.553 3.517 1.458 427 HD23 LEU 52 2HD2 LEU 52 0.661 2.667 2.998 428 H ILE 53 H ILE 53 1.192 6.905 5.317 429 HA ILE 53 HA ILE 53 -1.317 8.105 5.218 430 HB ILE 53 HB ILE 53 0.571 7.873 7.564 431 HG12 ILE 53 2HG1 ILE 53 -1.857 6.214 6.857 432 HG13 ILE 53 1HG1 ILE 53 -0.207 5.751 6.453 433 HG21 ILE 53 1HG2 ILE 53 -1.033 9.621 8.018 434 HG22 ILE 53 2HG2 ILE 53 -1.441 8.191 8.964 435 HG23 ILE 53 3HG2 ILE 53 -2.361 8.578 7.511 436 HD11 ILE 53 3HD1 ILE 53 -1.337 6.128 9.215 437 HD12 ILE 53 1HD1 ILE 53 0.345 5.741 8.850 438 HD13 ILE 53 2HD1 ILE 53 -0.934 4.599 8.437 439 H GLN 54 H GLN 54 1.852 9.532 5.784 440 HA GLN 54 HA GLN 54 0.831 12.113 6.485 441 HB2 GLN 54 2HB GLN 54 3.031 11.326 7.257 442 HB3 GLN 54 1HB GLN 54 3.605 11.303 5.596 443 HG2 GLN 54 2HG GLN 54 3.282 13.720 5.453 444 HG3 GLN 54 1HG GLN 54 2.711 13.741 7.120 445 HE21 GLN 54 1HE2 GLN 54 4.344 15.109 7.796 446 HE22 GLN 54 2HE2 GLN 54 5.985 14.591 7.950 447 H SER 55 H SER 55 1.653 10.509 3.513 448 HA SER 55 HA SER 55 2.050 12.792 1.900 449 HB2 SER 55 2HB SER 55 1.106 10.021 1.133 450 HB3 SER 55 1HB SER 55 1.652 11.256 -0.002 451 HG SER 55 HG SER 55 3.508 10.296 0.349 452 H ALA 56 H ALA 56 -0.834 10.669 2.106 453 HA ALA 56 HA ALA 56 -2.446 13.014 1.331 454 HB1 ALA 56 1HB ALA 56 -2.941 10.159 0.499 455 HB2 ALA 56 2HB ALA 56 -2.261 11.424 -0.525 456 HB3 ALA 56 3HB ALA 56 -3.919 11.562 0.063 457 H GLY 57 H GLY 57 -2.270 10.043 3.200 458 HA2 GLY 57 2HA GLY 57 -3.422 10.674 5.484 459 HA3 GLY 57 1HA GLY 57 -4.850 10.607 4.460 460 H ALA 58 H ALA 58 -5.211 8.934 6.303 461 HA ALA 58 HA ALA 58 -3.863 6.436 6.091 462 HB1 ALA 58 1HB ALA 58 -4.941 7.135 8.159 463 HB2 ALA 58 2HB ALA 58 -5.602 5.601 7.593 464 HB3 ALA 58 3HB ALA 58 -6.515 7.093 7.365 465 H ALA 59 H ALA 59 -7.321 7.081 5.502 466 HA ALA 59 HA ALA 59 -7.656 4.759 3.914 467 HB1 ALA 59 1HB ALA 59 -9.888 5.618 3.455 468 HB2 ALA 59 2HB ALA 59 -9.431 7.188 4.114 469 HB3 ALA 59 3HB ALA 59 -9.493 5.774 5.166 470 H SER 60 H SER 60 -7.104 8.151 3.131 471 HA SER 60 HA SER 60 -7.644 8.084 0.399 472 HB2 SER 60 2HB SER 60 -5.609 9.763 1.880 473 HB3 SER 60 1HB SER 60 -6.193 10.080 0.247 474 HG SER 60 HG SER 60 -7.978 10.869 1.042 475 H ALA 61 H ALA 61 -4.473 7.728 2.001 476 HA ALA 61 HA ALA 61 -3.079 7.164 -0.398 477 HB1 ALA 61 1HB ALA 61 -2.277 6.525 2.432 478 HB2 ALA 61 2HB ALA 61 -1.988 8.053 1.603 479 HB3 ALA 61 3HB ALA 61 -1.211 6.577 1.029 480 H VAL 62 H VAL 62 -4.291 5.026 2.184 481 HA VAL 62 HA VAL 62 -3.281 2.630 1.160 482 HB VAL 62 HB VAL 62 -5.737 3.135 2.841 483 HG11 VAL 62 1HG1 VAL 62 -6.003 1.012 1.669 484 HG12 VAL 62 2HG1 VAL 62 -5.699 0.746 3.386 485 HG13 VAL 62 3HG1 VAL 62 -4.405 0.501 2.212 486 HG21 VAL 62 3HG2 VAL 62 -3.593 3.746 3.861 487 HG22 VAL 62 1HG2 VAL 62 -2.987 2.118 3.555 488 HG23 VAL 62 2HG2 VAL 62 -4.328 2.364 4.675 489 H THR 63 H THR 63 -6.123 4.463 0.254 490 HA THR 63 HA THR 63 -7.321 2.346 -1.265 491 HB THR 63 HB THR 63 -7.871 5.319 -1.269 492 HG1 THR 63 1HG THR 63 -9.761 3.576 -0.290 493 HG21 THR 63 3HG2 THR 63 -9.429 3.057 -2.526 494 HG22 THR 63 1HG2 THR 63 -8.580 4.344 -3.382 495 HG23 THR 63 2HG2 THR 63 -9.986 4.724 -2.388 496 H LYS 64 H LYS 64 -5.692 5.389 -2.181 497 HA LYS 64 HA LYS 64 -5.697 4.891 -4.950 498 HB2 LYS 64 2HB LYS 64 -4.050 6.676 -5.105 499 HB3 LYS 64 1HB LYS 64 -5.323 7.118 -3.977 500 HG2 LYS 64 2HG LYS 64 -3.943 6.991 -2.151 501 HG3 LYS 64 1HG LYS 64 -2.846 5.847 -2.924 502 HD2 LYS 64 2HD LYS 64 -2.022 7.614 -4.387 503 HD3 LYS 64 1HD LYS 64 -3.132 8.762 -3.636 504 HE2 LYS 64 2HE LYS 64 -0.858 8.971 -2.743 505 HE3 LYS 64 1HE LYS 64 -2.010 8.485 -1.500 506 HZ1 LYS 64 3HZ LYS 64 -0.164 6.663 -2.948 507 HZ2 LYS 64 1HZ LYS 64 -1.260 6.204 -1.742 508 HZ3 LYS 64 2HZ LYS 64 0.042 7.215 -1.363 509 H ALA 65 H ALA 65 -3.531 3.904 -2.399 510 HA ALA 65 HA ALA 65 -1.253 3.229 -3.828 511 HB1 ALA 65 1HB ALA 65 -2.413 1.755 -1.465 512 HB2 ALA 65 2HB ALA 65 -1.398 3.195 -1.378 513 HB3 ALA 65 3HB ALA 65 -0.739 1.689 -2.018 514 H ILE 66 H ILE 66 -4.320 1.595 -3.587 515 HA ILE 66 HA ILE 66 -3.447 -0.891 -4.691 516 HB ILE 66 HB ILE 66 -6.200 0.313 -4.406 517 HG12 ILE 66 2HG1 ILE 66 -5.068 -0.284 -2.301 518 HG13 ILE 66 1HG1 ILE 66 -6.460 -1.317 -2.603 519 HG21 ILE 66 1HG2 ILE 66 -6.277 -1.184 -6.282 520 HG22 ILE 66 2HG2 ILE 66 -7.052 -1.962 -4.903 521 HG23 ILE 66 3HG2 ILE 66 -5.420 -2.432 -5.377 522 HD11 ILE 66 3HD1 ILE 66 -3.587 -2.062 -3.098 523 HD12 ILE 66 1HD1 ILE 66 -4.988 -3.097 -3.367 524 HD13 ILE 66 2HD1 ILE 66 -4.575 -2.582 -1.733 525 H ASN 67 H ASN 67 -5.006 2.001 -6.012 526 HA ASN 67 HA ASN 67 -5.426 1.034 -8.618 527 HB2 ASN 67 2HB ASN 67 -6.538 3.040 -7.788 528 HB3 ASN 67 1HB ASN 67 -4.990 3.869 -7.656 529 HD21 ASN 67 1HD2 ASN 67 -5.573 5.502 -9.047 530 HD22 ASN 67 2HD2 ASN 67 -5.755 5.262 -10.748 531 H ILE 68 H ILE 68 -2.657 2.608 -7.119 532 HA ILE 68 HA ILE 68 -1.198 2.919 -9.563 533 HB ILE 68 HB ILE 68 -0.135 2.962 -6.737 534 HG12 ILE 68 2HG1 ILE 68 -1.021 5.306 -8.430 535 HG13 ILE 68 1HG1 ILE 68 -2.022 4.573 -7.180 536 HG21 ILE 68 1HG2 ILE 68 1.674 4.304 -7.692 537 HG22 ILE 68 2HG2 ILE 68 0.966 4.116 -9.296 538 HG23 ILE 68 3HG2 ILE 68 1.590 2.709 -8.438 539 HD11 ILE 68 3HD1 ILE 68 0.652 5.892 -6.767 540 HD12 ILE 68 1HD1 ILE 68 -0.329 5.140 -5.509 541 HD13 ILE 68 2HD1 ILE 68 -0.925 6.568 -6.357 542 H PHE 69 H PHE 69 -0.887 0.730 -6.780 543 HA PHE 69 HA PHE 69 1.285 -0.757 -7.719 544 HB2 PHE 69 2HB PHE 69 0.448 -0.762 -5.382 545 HB3 PHE 69 1HB PHE 69 -0.940 -1.706 -5.908 546 HD1 PHE 69 1HD PHE 69 2.771 -1.768 -5.773 547 HD2 PHE 69 2HD PHE 69 -0.835 -4.021 -5.947 548 HE1 PHE 69 1HE PHE 69 4.051 -3.838 -5.407 549 HE2 PHE 69 2HE PHE 69 0.438 -6.095 -5.585 550 HZ PHE 69 HZ PHE 69 2.883 -6.004 -5.313 551 H GLN 70 H GLN 70 -2.171 -1.166 -8.291 552 HA GLN 70 HA GLN 70 -1.974 -3.761 -9.403 553 HB2 GLN 70 2HB GLN 70 -4.262 -3.441 -10.149 554 HB3 GLN 70 1HB GLN 70 -4.071 -2.861 -8.505 555 HG2 GLN 70 2HG GLN 70 -3.893 -0.553 -9.411 556 HG3 GLN 70 1HG GLN 70 -4.281 -1.205 -11.002 557 HE21 GLN 70 1HE2 GLN 70 -6.171 -0.024 -11.162 558 HE22 GLN 70 2HE2 GLN 70 -7.580 -0.400 -10.235 559 H LYS 71 H LYS 71 -2.501 -0.638 -11.053 560 HA LYS 71 HA LYS 71 -2.253 -1.720 -13.647 561 HB2 LYS 71 2HB LYS 71 -3.407 0.415 -13.045 562 HB3 LYS 71 1HB LYS 71 -1.827 1.147 -12.807 563 HG2 LYS 71 2HG LYS 71 -1.276 0.756 -15.146 564 HG3 LYS 71 1HG LYS 71 -2.840 -0.021 -15.392 565 HD2 LYS 71 2HD LYS 71 -2.484 2.831 -14.477 566 HD3 LYS 71 1HD LYS 71 -2.746 2.352 -16.155 567 HE2 LYS 71 2HE LYS 71 -4.885 1.333 -15.523 568 HE3 LYS 71 1HE LYS 71 -4.623 1.831 -13.851 569 HZ1 LYS 71 3HZ LYS 71 -4.630 4.140 -14.585 570 HZ2 LYS 71 1HZ LYS 71 -6.079 3.369 -14.997 571 HZ3 LYS 71 2HZ LYS 71 -4.905 3.652 -16.181 572 H LEU 72 H LEU 72 0.146 -1.267 -11.340 573 HA LEU 72 HA LEU 72 2.192 -0.641 -13.359 574 HB2 LEU 72 2HB LEU 72 1.839 -0.140 -10.528 575 HB3 LEU 72 1HB LEU 72 3.420 -0.794 -10.889 576 HG LEU 72 HG LEU 72 3.461 1.629 -10.845 577 HD11 LEU 72 1HD1 LEU 72 3.789 0.534 -13.634 578 HD12 LEU 72 2HD1 LEU 72 4.996 0.488 -12.349 579 HD13 LEU 72 3HD1 LEU 72 4.490 2.034 -13.027 580 HD21 LEU 72 3HD2 LEU 72 2.256 2.948 -12.523 581 HD22 LEU 72 1HD2 LEU 72 1.152 2.074 -11.460 582 HD23 LEU 72 2HD2 LEU 72 1.458 1.483 -13.093 583 H ASN 73 H ASN 73 1.489 -3.078 -10.841 584 HA ASN 73 HA ASN 73 3.589 -4.721 -12.097 585 HB2 ASN 73 2HB ASN 73 2.886 -4.592 -9.168 586 HB3 ASN 73 1HB ASN 73 4.063 -5.689 -9.883 587 HD21 ASN 73 1HD2 ASN 73 4.412 -3.608 -7.867 588 HD22 ASN 73 2HD2 ASN 73 5.610 -2.532 -8.495 589 H TYR 74 H TYR 74 0.640 -4.998 -10.106 590 HA TYR 74 HA TYR 74 0.062 -7.500 -11.527 591 HB2 TYR 74 2HB TYR 74 0.169 -7.191 -8.536 592 HB3 TYR 74 1HB TYR 74 -0.625 -8.543 -9.338 593 HD1 TYR 74 1HD TYR 74 0.706 -10.175 -10.624 594 HD2 TYR 74 2HD TYR 74 2.561 -7.051 -8.413 595 HE1 TYR 74 1HE TYR 74 2.855 -11.359 -10.768 596 HE2 TYR 74 2HE TYR 74 4.716 -8.227 -8.549 597 HH TYR 74 HH TYR 74 5.243 -10.866 -10.634 598 H MET 75 H MET 75 -1.382 -5.638 -12.445 599 HA MET 75 HA MET 75 -3.560 -4.612 -11.106 600 HB2 MET 75 2HB MET 75 -4.660 -4.434 -13.281 601 HB3 MET 75 1HB MET 75 -2.963 -3.991 -13.403 602 HG2 MET 75 2HG MET 75 -2.453 -6.201 -14.314 603 HG3 MET 75 1HG MET 75 -4.157 -6.636 -14.202 604 HE1 MET 75 3HE MET 75 -3.743 -6.299 -18.054 605 HE2 MET 75 1HE MET 75 -4.276 -7.319 -16.719 606 HE3 MET 75 2HE MET 75 -2.562 -6.956 -16.921 607 H HIS 76 H HIS 76 -2.951 -7.877 -11.984 608 HA HIS 76 HA HIS 76 -5.701 -8.731 -11.867 609 HB2 HIS 76 2HB HIS 76 -4.084 -9.894 -13.305 610 HB3 HIS 76 1HB HIS 76 -3.150 -10.355 -11.887 611 HD1 HIS 76 1HD HIS 76 -3.780 -12.543 -10.812 612 HD2 HIS 76 2HD HIS 76 -6.733 -11.092 -13.348 613 HE1 HIS 76 1HE HIS 76 -5.539 -14.354 -10.964 614 H ILE 77 H ILE 77 -2.828 -9.188 -9.800 615 HA ILE 77 HA ILE 77 -4.131 -10.630 -7.766 616 HB ILE 77 HB ILE 77 -1.643 -8.926 -7.653 617 HG12 ILE 77 2HG1 ILE 77 -2.056 -11.922 -7.820 618 HG13 ILE 77 1HG1 ILE 77 -1.495 -10.882 -9.126 619 HG21 ILE 77 1HG2 ILE 77 -1.134 -10.076 -5.537 620 HG22 ILE 77 2HG2 ILE 77 -2.729 -10.830 -5.579 621 HG23 ILE 77 3HG2 ILE 77 -2.584 -9.079 -5.422 622 HD11 ILE 77 3HD1 ILE 77 -0.048 -11.471 -6.554 623 HD12 ILE 77 1HD1 ILE 77 0.505 -10.343 -7.792 624 HD13 ILE 77 2HD1 ILE 77 0.363 -12.061 -8.164 625 H ALA 78 H ALA 78 -3.345 -7.164 -7.972 626 HA ALA 78 HA ALA 78 -4.285 -6.364 -5.498 627 HB1 ALA 78 1HB ALA 78 -4.401 -4.793 -8.065 628 HB2 ALA 78 2HB ALA 78 -2.998 -4.929 -7.003 629 HB3 ALA 78 3HB ALA 78 -4.463 -4.132 -6.431 630 H ASN 79 H ASN 79 -6.097 -7.120 -8.393 631 HA ASN 79 HA ASN 79 -8.515 -5.864 -7.815 632 HB2 ASN 79 2HB ASN 79 -7.972 -6.963 -9.972 633 HB3 ASN 79 1HB ASN 79 -8.135 -8.532 -9.191 634 HD21 ASN 79 1HD2 ASN 79 -9.798 -9.153 -10.548 635 HD22 ASN 79 2HD2 ASN 79 -11.390 -8.494 -10.422 636 H ALA 80 H ALA 80 -7.192 -8.892 -6.632 637 HA ALA 80 HA ALA 80 -9.594 -9.787 -5.377 638 HB1 ALA 80 1HB ALA 80 -6.741 -10.629 -4.893 639 HB2 ALA 80 2HB ALA 80 -7.852 -11.345 -6.062 640 HB3 ALA 80 3HB ALA 80 -8.181 -11.480 -4.335 641 H LEU 81 H LEU 81 -6.683 -8.125 -4.207 642 HA LEU 81 HA LEU 81 -7.449 -8.170 -1.469 643 HB2 LEU 81 2HB LEU 81 -5.437 -6.486 -2.951 644 HB3 LEU 81 1HB LEU 81 -5.650 -6.434 -1.214 645 HG LEU 81 HG LEU 81 -3.761 -7.805 -1.654 646 HD11 LEU 81 1HD1 LEU 81 -4.414 -9.946 -0.708 647 HD12 LEU 81 2HD1 LEU 81 -6.106 -9.600 -1.063 648 HD13 LEU 81 3HD1 LEU 81 -5.231 -8.616 0.111 649 HD21 LEU 81 3HD2 LEU 81 -3.802 -9.740 -3.113 650 HD22 LEU 81 1HD2 LEU 81 -4.234 -8.283 -4.008 651 HD23 LEU 81 2HD2 LEU 81 -5.489 -9.422 -3.519 652 H GLU 82 H GLU 82 -7.861 -5.776 -4.042 653 HA GLU 82 HA GLU 82 -8.632 -3.605 -2.474 654 HB2 GLU 82 2HB GLU 82 -9.700 -2.708 -4.471 655 HB3 GLU 82 1HB GLU 82 -8.139 -3.414 -4.864 656 HG2 GLU 82 2HG GLU 82 -9.200 -5.374 -5.764 657 HG3 GLU 82 1HG GLU 82 -10.786 -4.782 -5.269 658 H GLU 83 H GLU 83 -10.381 -6.481 -3.303 659 HA GLU 83 HA GLU 83 -13.013 -5.618 -2.961 660 HB2 GLU 83 2HB GLU 83 -12.382 -7.838 -3.835 661 HB3 GLU 83 1HB GLU 83 -11.833 -8.305 -2.233 662 HG2 GLU 83 2HG GLU 83 -14.119 -8.020 -1.383 663 HG3 GLU 83 1HG GLU 83 -14.655 -7.609 -3.011 664 H LYS 84 H LYS 84 -10.541 -6.424 -0.623 665 HA LYS 84 HA LYS 84 -12.065 -6.741 1.679 666 HB2 LYS 84 2HB LYS 84 -9.620 -7.159 1.492 667 HB3 LYS 84 1HB LYS 84 -9.353 -5.421 1.471 668 HG2 LYS 84 2HG LYS 84 -10.314 -5.245 3.711 669 HG3 LYS 84 1HG LYS 84 -10.576 -6.991 3.732 670 HD2 LYS 84 2HD LYS 84 -7.875 -5.698 3.380 671 HD3 LYS 84 1HD LYS 84 -8.517 -6.229 4.936 672 HE2 LYS 84 2HE LYS 84 -8.093 -7.999 2.530 673 HE3 LYS 84 1HE LYS 84 -7.004 -7.887 3.911 674 HZ1 LYS 84 3HZ LYS 84 -9.844 -8.743 4.057 675 HZ2 LYS 84 1HZ LYS 84 -8.739 -8.717 5.338 676 HZ3 LYS 84 2HZ LYS 84 -8.518 -9.792 4.051 677 H LYS 85 H LYS 85 -11.197 -3.848 -0.060 678 HA LYS 85 HA LYS 85 -11.527 -1.882 1.848 679 HB2 LYS 85 2HB LYS 85 -10.751 -1.382 -0.399 680 HB3 LYS 85 1HB LYS 85 -12.316 -1.821 -1.069 681 HG2 LYS 85 2HG LYS 85 -13.361 0.063 0.004 682 HG3 LYS 85 1HG LYS 85 -11.857 0.465 0.836 683 HD2 LYS 85 2HD LYS 85 -10.778 0.928 -1.293 684 HD3 LYS 85 1HD LYS 85 -12.243 0.456 -2.158 685 HE2 LYS 85 2HE LYS 85 -11.973 2.908 -1.944 686 HE3 LYS 85 1HE LYS 85 -13.458 2.303 -1.212 687 HZ1 LYS 85 3HZ LYS 85 -12.397 2.409 0.952 688 HZ2 LYS 85 1HZ LYS 85 -12.358 3.926 0.202 689 HZ3 LYS 85 2HZ LYS 85 -10.963 2.970 0.254 690 H LYS 86 H LYS 86 -13.975 -3.713 0.125 691 HA LYS 86 HA LYS 86 -16.237 -2.214 0.614 692 HB2 LYS 86 2HB LYS 86 -16.022 -4.386 -0.703 693 HB3 LYS 86 1HB LYS 86 -16.173 -5.221 0.835 694 HG2 LYS 86 2HG LYS 86 -18.352 -5.246 0.285 695 HG3 LYS 86 1HG LYS 86 -18.324 -3.625 0.982 696 HD2 LYS 86 2HD LYS 86 -17.898 -4.208 -1.948 697 HD3 LYS 86 1HD LYS 86 -19.461 -3.792 -1.244 698 HE2 LYS 86 2HE LYS 86 -18.573 -1.652 -0.498 699 HE3 LYS 86 1HE LYS 86 -16.985 -2.071 -1.139 700 HZ1 LYS 86 3HZ LYS 86 -17.941 -2.143 -3.357 701 HZ2 LYS 86 1HZ LYS 86 -18.196 -0.628 -2.648 702 HZ3 LYS 86 2HZ LYS 86 -19.465 -1.742 -2.743 703 H GLU 87 H GLU 87 -14.592 -4.487 2.765 704 HA GLU 87 HA GLU 87 -16.533 -4.222 4.861 705 HB2 GLU 87 2HB GLU 87 -15.201 -6.271 4.592 706 HB3 GLU 87 1HB GLU 87 -13.733 -5.365 4.928 707 HG2 GLU 87 2HG GLU 87 -14.542 -4.874 7.176 708 HG3 GLU 87 1HG GLU 87 -16.022 -5.768 6.840 709 H ALA 88 H ALA 88 -13.572 -2.629 3.960 710 HA ALA 88 HA ALA 88 -12.768 -1.486 6.344 711 HB1 ALA 88 1HB ALA 88 -12.690 -0.090 3.678 712 HB2 ALA 88 2HB ALA 88 -11.570 -1.366 4.156 713 HB3 ALA 88 3HB ALA 88 -11.613 0.152 5.054 714 H GLU 89 H GLU 89 -15.486 -0.654 4.320 715 HA GLU 89 HA GLU 89 -16.005 1.937 5.198 716 HB2 GLU 89 2HB GLU 89 -17.724 -0.263 4.122 717 HB3 GLU 89 1HB GLU 89 -18.481 1.198 4.741 718 HG2 GLU 89 2HG GLU 89 -18.180 1.331 2.343 719 HG3 GLU 89 1HG GLU 89 -17.201 2.544 3.165 720 H ARG 90 H ARG 90 -17.336 -1.121 6.487 721 HA ARG 90 HA ARG 90 -18.634 0.183 8.669 722 HB2 ARG 90 2HB ARG 90 -19.079 -2.076 9.505 723 HB3 ARG 90 1HB ARG 90 -19.475 -1.935 7.799 724 HG2 ARG 90 2HG ARG 90 -17.432 -3.076 7.195 725 HG3 ARG 90 1HG ARG 90 -16.942 -3.145 8.889 726 HD2 ARG 90 2HD ARG 90 -19.381 -4.458 7.694 727 HD3 ARG 90 1HD ARG 90 -17.885 -5.275 8.146 728 HE ARG 90 HE ARG 90 -18.637 -4.082 10.447 729 HH11 ARG 90 1HH1 ARG 90 -20.311 -6.135 8.184 730 HH12 ARG 90 2HH1 ARG 90 -21.348 -6.832 9.384 731 HH21 ARG 90 1HH2 ARG 90 -19.996 -4.991 12.035 732 HH22 ARG 90 2HH2 ARG 90 -21.167 -6.181 11.575 733 H LYS 91 H LYS 91 -15.417 -0.738 8.105 734 HA LYS 91 HA LYS 91 -14.665 -1.283 10.810 735 HB2 LYS 91 2HB LYS 91 -13.064 -0.594 8.345 736 HB3 LYS 91 1HB LYS 91 -12.321 -0.903 9.908 737 HG2 LYS 91 2HG LYS 91 -13.351 -3.149 9.913 738 HG3 LYS 91 1HG LYS 91 -13.976 -2.830 8.294 739 HD2 LYS 91 2HD LYS 91 -11.968 -4.090 8.047 740 HD3 LYS 91 1HD LYS 91 -11.611 -2.433 7.559 741 HE2 LYS 91 2HE LYS 91 -9.815 -3.340 8.937 742 HE3 LYS 91 1HE LYS 91 -10.619 -1.999 9.753 743 HZ1 LYS 91 3HZ LYS 91 -10.240 -3.796 11.288 744 HZ2 LYS 91 1HZ LYS 91 -11.050 -4.889 10.282 745 HZ3 LYS 91 2HZ LYS 91 -11.903 -3.635 11.027 746 H LEU 92 H LEU 92 -14.548 1.561 8.712 747 HA LEU 92 HA LEU 92 -13.365 3.199 10.784 748 HB2 LEU 92 2HB LEU 92 -14.504 4.036 8.119 749 HB3 LEU 92 1HB LEU 92 -13.466 4.993 9.158 750 HG LEU 92 HG LEU 92 -12.642 2.439 7.775 751 HD11 LEU 92 1HD1 LEU 92 -11.309 3.881 6.333 752 HD12 LEU 92 2HD1 LEU 92 -11.973 5.306 7.131 753 HD13 LEU 92 3HD1 LEU 92 -13.027 4.252 6.190 754 HD21 LEU 92 3HD2 LEU 92 -11.436 2.810 9.859 755 HD22 LEU 92 1HD2 LEU 92 -11.039 4.452 9.349 756 HD23 LEU 92 2HD2 LEU 92 -10.382 3.073 8.469 757 H MET 93 H MET 93 -16.334 1.984 10.424 758 HA MET 93 HA MET 93 -17.736 4.422 11.277 759 HB2 MET 93 2HB MET 93 -18.677 3.229 9.328 760 HB3 MET 93 1HB MET 93 -18.874 1.789 10.318 761 HG2 MET 93 2HG MET 93 -20.391 3.090 11.797 762 HG3 MET 93 1HG MET 93 -20.280 4.426 10.653 763 HE1 MET 93 3HE MET 93 -21.544 0.786 11.296 764 HE2 MET 93 1HE MET 93 -20.425 0.543 9.955 765 HE3 MET 93 2HE MET 93 -22.157 0.317 9.710 766 H THR 94 H THR 94 -17.152 1.044 12.140 767 HA THR 94 HA THR 94 -18.754 0.923 14.432 768 HB THR 94 HB THR 94 -17.810 -1.095 13.450 769 HG1 THR 94 1HG THR 94 -16.525 -1.148 15.908 770 HG21 THR 94 3HG2 THR 94 -15.429 -1.654 13.768 771 HG22 THR 94 1HG2 THR 94 -15.149 -0.038 14.417 772 HG23 THR 94 2HG2 THR 94 -15.645 -0.239 12.736 773 H ASN 95 H ASN 95 -18.277 1.131 16.632 774 HA ASN 95 HA ASN 95 -17.464 2.188 18.472 775 HB2 ASN 95 2HB ASN 95 -15.563 0.650 18.056 776 HB3 ASN 95 1HB ASN 95 -14.798 1.892 17.069 777 HD21 ASN 95 1HD2 ASN 95 -13.953 3.727 18.056 778 HD22 ASN 95 2HD2 ASN 95 -13.633 3.787 19.752 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -8.920 -2.376 13.679 2 H2 MET 1 2HT MET 1 -10.015 -1.089 13.673 3 H3 MET 1 3HT MET 1 -9.443 -1.705 15.141 4 HA MET 1 HA MET 1 -8.375 0.383 14.602 5 HB2 MET 1 2HB MET 1 -7.171 -1.417 15.853 6 HB3 MET 1 1HB MET 1 -6.478 -1.957 14.330 7 HG2 MET 1 2HG MET 1 -5.378 0.202 14.057 8 HG3 MET 1 1HG MET 1 -6.078 0.752 15.578 9 HE1 MET 1 2HE MET 1 -3.488 -1.669 13.873 10 HE2 MET 1 3HE MET 1 -4.628 -2.775 14.639 11 HE3 MET 1 1HE MET 1 -2.977 -2.651 15.245 12 H GLU 2 H GLU 2 -8.019 1.733 12.984 13 HA GLU 2 HA GLU 2 -7.988 0.956 10.284 14 HB2 GLU 2 2HB GLU 2 -7.383 3.297 9.814 15 HB3 GLU 2 1HB GLU 2 -8.711 3.175 10.959 16 HG2 GLU 2 2HG GLU 2 -7.160 3.590 12.801 17 HG3 GLU 2 1HG GLU 2 -5.834 3.727 11.647 18 H SER 3 H SER 3 -5.439 1.396 12.616 19 HA SER 3 HA SER 3 -3.258 1.675 10.875 20 HB2 SER 3 2HB SER 3 -3.357 0.395 13.617 21 HB3 SER 3 1HB SER 3 -1.887 0.888 12.776 22 HG SER 3 HG SER 3 -3.791 2.860 12.957 23 H GLU 4 H GLU 4 -5.065 -1.128 11.917 24 HA GLU 4 HA GLU 4 -3.177 -3.049 10.939 25 HB2 GLU 4 2HB GLU 4 -4.817 -3.523 12.756 26 HB3 GLU 4 1HB GLU 4 -6.111 -3.422 11.571 27 HG2 GLU 4 2HG GLU 4 -5.211 -5.326 10.379 28 HG3 GLU 4 1HG GLU 4 -3.846 -5.404 11.493 29 H TYR 5 H TYR 5 -5.893 -1.307 9.632 30 HA TYR 5 HA TYR 5 -6.291 -2.952 7.340 31 HB2 TYR 5 2HB TYR 5 -8.080 -1.524 8.137 32 HB3 TYR 5 1HB TYR 5 -7.088 -0.089 7.900 33 HD1 TYR 5 1HD TYR 5 -8.317 -3.008 5.901 34 HD2 TYR 5 2HD TYR 5 -7.514 1.169 6.020 35 HE1 TYR 5 1HE TYR 5 -9.205 -2.779 3.620 36 HE2 TYR 5 2HE TYR 5 -8.401 1.409 3.739 37 HH TYR 5 HH TYR 5 -8.768 0.027 1.751 38 H ARG 6 H ARG 6 -4.441 0.004 7.950 39 HA ARG 6 HA ARG 6 -3.625 0.287 5.218 40 HB2 ARG 6 2HB ARG 6 -2.086 2.020 6.107 41 HB3 ARG 6 1HB ARG 6 -3.756 2.259 6.599 42 HG2 ARG 6 2HG ARG 6 -3.268 1.340 8.791 43 HG3 ARG 6 1HG ARG 6 -1.603 1.019 8.302 44 HD2 ARG 6 2HD ARG 6 -1.203 3.392 8.006 45 HD3 ARG 6 1HD ARG 6 -2.887 3.749 8.388 46 HE ARG 6 HE ARG 6 -1.743 2.325 10.522 47 HH11 ARG 6 1HH1 ARG 6 -1.563 5.446 8.983 48 HH12 ARG 6 2HH1 ARG 6 -1.099 6.275 10.430 49 HH21 ARG 6 1HH2 ARG 6 -1.138 3.407 12.431 50 HH22 ARG 6 2HH2 ARG 6 -0.856 5.116 12.392 51 H GLU 7 H GLU 7 -2.250 -1.170 8.104 52 HA GLU 7 HA GLU 7 0.352 -1.567 7.015 53 HB2 GLU 7 2HB GLU 7 -0.050 -1.504 9.429 54 HB3 GLU 7 1HB GLU 7 -1.031 -2.958 9.312 55 HG2 GLU 7 2HG GLU 7 0.925 -4.219 8.570 56 HG3 GLU 7 1HG GLU 7 1.907 -2.761 8.690 57 H MET 8 H MET 8 -2.381 -3.786 7.549 58 HA MET 8 HA MET 8 -1.139 -6.035 6.384 59 HB2 MET 8 2HB MET 8 -2.980 -6.313 7.909 60 HB3 MET 8 1HB MET 8 -4.047 -5.390 6.859 61 HG2 MET 8 2HG MET 8 -3.981 -7.123 5.190 62 HG3 MET 8 1HG MET 8 -2.790 -8.025 6.125 63 HE1 MET 8 3HE MET 8 -7.114 -7.321 7.588 64 HE2 MET 8 1HE MET 8 -6.478 -6.647 6.088 65 HE3 MET 8 2HE MET 8 -5.858 -6.085 7.640 66 H LEU 9 H LEU 9 -3.553 -3.773 5.060 67 HA LEU 9 HA LEU 9 -3.894 -4.992 2.584 68 HB2 LEU 9 2HB LEU 9 -5.323 -3.200 3.455 69 HB3 LEU 9 1HB LEU 9 -4.020 -2.051 3.234 70 HG LEU 9 HG LEU 9 -4.923 -3.573 0.844 71 HD11 LEU 9 1HD1 LEU 9 -7.036 -2.960 1.841 72 HD12 LEU 9 2HD1 LEU 9 -6.715 -1.929 0.448 73 HD13 LEU 9 3HD1 LEU 9 -6.477 -1.306 2.079 74 HD21 LEU 9 3HD2 LEU 9 -4.548 -1.271 -0.146 75 HD22 LEU 9 1HD2 LEU 9 -3.122 -2.088 0.493 76 HD23 LEU 9 2HD2 LEU 9 -3.896 -0.808 1.424 77 H LEU 10 H LEU 10 -1.365 -2.783 3.652 78 HA LEU 10 HA LEU 10 -0.327 -2.434 0.991 79 HB2 LEU 10 2HB LEU 10 0.375 -1.469 3.700 80 HB3 LEU 10 1HB LEU 10 1.674 -1.533 2.526 81 HG LEU 10 HG LEU 10 0.659 0.684 2.599 82 HD11 LEU 10 1HD1 LEU 10 1.603 -0.092 0.495 83 HD12 LEU 10 2HD1 LEU 10 0.212 0.958 0.215 84 HD13 LEU 10 3HD1 LEU 10 0.048 -0.790 0.043 85 HD21 LEU 10 3HD2 LEU 10 -1.562 0.280 3.287 86 HD22 LEU 10 1HD2 LEU 10 -1.865 -0.809 1.932 87 HD23 LEU 10 2HD2 LEU 10 -1.675 0.920 1.649 88 H LEU 11 H LEU 11 0.974 -4.017 3.928 89 HA LEU 11 HA LEU 11 3.270 -5.054 2.791 90 HB2 LEU 11 2HB LEU 11 3.314 -6.666 4.600 91 HB3 LEU 11 1HB LEU 11 2.845 -5.085 5.187 92 HG LEU 11 HG LEU 11 0.414 -5.995 4.974 93 HD11 LEU 11 1HD1 LEU 11 0.352 -8.456 5.476 94 HD12 LEU 11 2HD1 LEU 11 2.040 -8.528 4.967 95 HD13 LEU 11 3HD1 LEU 11 0.793 -8.037 3.822 96 HD21 LEU 11 3HD2 LEU 11 0.556 -6.889 7.250 97 HD22 LEU 11 1HD2 LEU 11 1.494 -5.406 7.071 98 HD23 LEU 11 2HD2 LEU 11 2.313 -6.968 7.104 99 H THR 12 H THR 12 0.006 -6.078 2.331 100 HA THR 12 HA THR 12 0.334 -8.744 1.613 101 HB THR 12 HB THR 12 -1.603 -6.727 0.465 102 HG1 THR 12 1HG THR 12 -2.985 -8.035 2.006 103 HG21 THR 12 3HG2 THR 12 -2.964 -8.695 -0.141 104 HG22 THR 12 1HG2 THR 12 -1.639 -9.746 0.361 105 HG23 THR 12 2HG2 THR 12 -1.429 -8.654 -1.008 106 H GLY 13 H GLY 13 0.943 -5.818 -0.241 107 HA2 GLY 13 2HA GLY 13 1.545 -7.389 -2.630 108 HA3 GLY 13 1HA GLY 13 1.452 -5.639 -2.540 109 H LEU 14 H LEU 14 3.211 -5.123 -0.438 110 HA LEU 14 HA LEU 14 5.678 -5.119 -1.748 111 HB2 LEU 14 2HB LEU 14 4.999 -4.759 1.166 112 HB3 LEU 14 1HB LEU 14 6.623 -4.567 0.542 113 HG LEU 14 HG LEU 14 5.789 -2.385 0.714 114 HD11 LEU 14 1HD1 LEU 14 5.166 -3.044 -2.154 115 HD12 LEU 14 2HD1 LEU 14 6.808 -3.012 -1.516 116 HD13 LEU 14 3HD1 LEU 14 5.825 -1.548 -1.489 117 HD21 LEU 14 3HD2 LEU 14 3.614 -1.669 -0.083 118 HD22 LEU 14 1HD2 LEU 14 3.439 -2.995 1.065 119 HD23 LEU 14 2HD2 LEU 14 3.264 -3.297 -0.663 120 H ASP 15 H ASP 15 4.457 -7.271 0.789 121 HA ASP 15 HA ASP 15 6.895 -8.802 0.881 122 HB2 ASP 15 2HB ASP 15 4.178 -9.246 2.129 123 HB3 ASP 15 1HB ASP 15 5.567 -10.290 2.404 124 H HIS 16 H HIS 16 4.868 -8.596 -1.532 125 HA HIS 16 HA HIS 16 4.919 -11.484 -2.115 126 HB2 HIS 16 2HB HIS 16 2.615 -10.624 -1.757 127 HB3 HIS 16 1HB HIS 16 2.860 -9.487 -3.078 128 HD1 HIS 16 1HD HIS 16 2.221 -13.113 -2.391 129 HD2 HIS 16 2HD HIS 16 2.762 -10.576 -5.636 130 HE1 HIS 16 1HE HIS 16 1.524 -14.422 -4.440 131 H ILE 17 H ILE 17 5.695 -8.294 -3.123 132 HA ILE 17 HA ILE 17 6.271 -9.119 -5.863 133 HB ILE 17 HB ILE 17 6.809 -6.760 -6.268 134 HG12 ILE 17 2HG1 ILE 17 6.028 -6.326 -3.375 135 HG13 ILE 17 1HG1 ILE 17 7.679 -6.280 -3.982 136 HG21 ILE 17 1HG2 ILE 17 4.179 -7.186 -4.851 137 HG22 ILE 17 2HG2 ILE 17 4.515 -7.522 -6.548 138 HG23 ILE 17 3HG2 ILE 17 4.546 -5.861 -5.956 139 HD11 ILE 17 3HD1 ILE 17 5.453 -4.430 -4.801 140 HD12 ILE 17 1HD1 ILE 17 7.114 -4.376 -5.390 141 HD13 ILE 17 2HD1 ILE 17 6.769 -4.047 -3.692 142 H THR 18 H THR 18 8.397 -8.101 -6.747 143 HA THR 18 HA THR 18 10.555 -9.192 -5.124 144 HB THR 18 HB THR 18 11.936 -8.801 -7.199 145 HG1 THR 18 1HG THR 18 9.381 -8.198 -8.320 146 HG21 THR 18 3HG2 THR 18 9.454 -10.498 -7.498 147 HG22 THR 18 1HG2 THR 18 10.960 -10.986 -6.723 148 HG23 THR 18 2HG2 THR 18 10.926 -10.659 -8.456 149 H GLU 19 H GLU 19 12.747 -7.903 -5.618 150 HA GLU 19 HA GLU 19 12.522 -5.483 -4.154 151 HB2 GLU 19 2HB GLU 19 14.855 -6.662 -5.670 152 HB3 GLU 19 1HB GLU 19 14.965 -5.257 -4.618 153 HG2 GLU 19 2HG GLU 19 15.725 -7.125 -3.382 154 HG3 GLU 19 1HG GLU 19 14.136 -6.695 -2.751 155 H GLU 20 H GLU 20 13.037 -6.207 -7.576 156 HA GLU 20 HA GLU 20 13.601 -3.601 -8.442 157 HB2 GLU 20 2HB GLU 20 12.843 -4.410 -10.678 158 HB3 GLU 20 1HB GLU 20 14.023 -5.457 -9.903 159 HG2 GLU 20 2HG GLU 20 12.236 -6.972 -9.219 160 HG3 GLU 20 1HG GLU 20 11.049 -5.918 -9.988 161 H GLU 21 H GLU 21 10.500 -5.326 -8.202 162 HA GLU 21 HA GLU 21 8.949 -3.140 -9.164 163 HB2 GLU 21 2HB GLU 21 8.066 -5.481 -7.463 164 HB3 GLU 21 1HB GLU 21 7.017 -4.416 -8.388 165 HG2 GLU 21 2HG GLU 21 9.068 -6.318 -9.499 166 HG3 GLU 21 1HG GLU 21 7.316 -6.512 -9.542 167 H LEU 22 H LEU 22 10.190 -4.093 -6.073 168 HA LEU 22 HA LEU 22 8.496 -2.491 -4.452 169 HB2 LEU 22 2HB LEU 22 9.635 -4.289 -3.409 170 HB3 LEU 22 1HB LEU 22 11.189 -3.768 -4.030 171 HG LEU 22 HG LEU 22 11.082 -1.786 -2.533 172 HD11 LEU 22 1HD1 LEU 22 8.663 -1.628 -2.302 173 HD12 LEU 22 2HD1 LEU 22 9.441 -1.758 -0.725 174 HD13 LEU 22 3HD1 LEU 22 8.637 -3.160 -1.431 175 HD21 LEU 22 3HD2 LEU 22 10.820 -4.464 -1.168 176 HD22 LEU 22 1HD2 LEU 22 11.547 -3.015 -0.471 177 HD23 LEU 22 2HD2 LEU 22 12.294 -3.794 -1.866 178 H LYS 23 H LYS 23 11.474 -1.929 -6.194 179 HA LYS 23 HA LYS 23 12.022 0.604 -4.961 180 HB2 LYS 23 2HB LYS 23 13.814 -0.810 -5.884 181 HB3 LYS 23 1HB LYS 23 13.136 -0.614 -7.494 182 HG2 LYS 23 2HG LYS 23 13.616 1.744 -7.460 183 HG3 LYS 23 1HG LYS 23 14.171 1.640 -5.789 184 HD2 LYS 23 2HD LYS 23 16.100 1.687 -7.201 185 HD3 LYS 23 1HD LYS 23 15.941 0.050 -6.563 186 HE2 LYS 23 2HE LYS 23 16.494 -0.043 -8.912 187 HE3 LYS 23 1HE LYS 23 14.851 -0.633 -8.667 188 HZ1 LYS 23 3HZ LYS 23 15.602 2.077 -9.624 189 HZ2 LYS 23 1HZ LYS 23 14.020 1.540 -9.356 190 HZ3 LYS 23 2HZ LYS 23 14.960 0.831 -10.570 191 H ARG 24 H ARG 24 10.505 -0.494 -7.951 192 HA ARG 24 HA ARG 24 10.241 2.093 -9.104 193 HB2 ARG 24 2HB ARG 24 8.733 -0.465 -9.668 194 HB3 ARG 24 1HB ARG 24 8.652 0.987 -10.655 195 HG2 ARG 24 2HG ARG 24 10.974 0.790 -11.234 196 HG3 ARG 24 1HG ARG 24 11.172 -0.571 -10.128 197 HD2 ARG 24 2HD ARG 24 10.964 -1.285 -12.475 198 HD3 ARG 24 1HD ARG 24 9.669 -1.917 -11.459 199 HE ARG 24 HE ARG 24 8.756 0.455 -12.586 200 HH11 ARG 24 1HH1 ARG 24 9.754 -2.712 -13.648 201 HH12 ARG 24 2HH1 ARG 24 8.712 -2.717 -15.031 202 HH21 ARG 24 1HH2 ARG 24 7.384 0.455 -14.408 203 HH22 ARG 24 2HH2 ARG 24 7.370 -0.917 -15.464 204 H PHE 25 H PHE 25 8.209 0.133 -7.011 205 HA PHE 25 HA PHE 25 5.784 1.458 -7.255 206 HB2 PHE 25 2HB PHE 25 6.061 -0.624 -5.988 207 HB3 PHE 25 1HB PHE 25 6.992 0.233 -4.765 208 HD1 PHE 25 1HD PHE 25 3.644 0.196 -6.390 209 HD2 PHE 25 2HD PHE 25 5.922 1.124 -2.917 210 HE1 PHE 25 1HE PHE 25 1.568 0.684 -5.163 211 HE2 PHE 25 2HE PHE 25 3.851 1.614 -1.685 212 HZ PHE 25 HZ PHE 25 1.669 1.394 -2.807 213 H LYS 26 H LYS 26 8.384 2.120 -4.906 214 HA LYS 26 HA LYS 26 7.123 4.407 -3.802 215 HB2 LYS 26 2HB LYS 26 9.985 3.455 -3.754 216 HB3 LYS 26 1HB LYS 26 9.425 4.870 -2.874 217 HG2 LYS 26 2HG LYS 26 7.865 3.464 -1.616 218 HG3 LYS 26 1HG LYS 26 8.441 2.047 -2.496 219 HD2 LYS 26 2HD LYS 26 10.695 2.423 -1.599 220 HD3 LYS 26 1HD LYS 26 10.099 3.821 -0.704 221 HE2 LYS 26 2HE LYS 26 10.230 1.909 0.766 222 HE3 LYS 26 1HE LYS 26 8.542 2.347 0.509 223 HZ1 LYS 26 3HZ LYS 26 9.991 0.145 -0.860 224 HZ2 LYS 26 1HZ LYS 26 8.375 0.569 -1.128 225 HZ3 LYS 26 2HZ LYS 26 8.852 -0.038 0.376 226 H TYR 27 H TYR 27 9.237 3.919 -6.527 227 HA TYR 27 HA TYR 27 10.057 6.621 -6.827 228 HB2 TYR 27 2HB TYR 27 11.299 4.752 -7.818 229 HB3 TYR 27 1HB TYR 27 9.936 4.401 -8.875 230 HD1 TYR 27 2HD TYR 27 12.589 6.861 -8.124 231 HD2 TYR 27 1HD TYR 27 9.598 5.631 -10.889 232 HE1 TYR 27 2HE TYR 27 13.506 8.413 -9.797 233 HE2 TYR 27 1HE TYR 27 10.507 7.178 -12.569 234 HH TYR 27 HH TYR 27 11.852 9.230 -12.648 235 H PHE 28 H PHE 28 7.346 4.753 -8.108 236 HA PHE 28 HA PHE 28 6.483 6.878 -9.846 237 HB2 PHE 28 2HB PHE 28 5.365 4.195 -9.095 238 HB3 PHE 28 1HB PHE 28 4.378 5.358 -9.974 239 HD1 PHE 28 1HD PHE 28 5.479 6.365 -12.120 240 HD2 PHE 28 2HD PHE 28 6.685 2.723 -10.278 241 HE1 PHE 28 1HE PHE 28 6.497 5.634 -14.237 242 HE2 PHE 28 2HE PHE 28 7.708 1.988 -12.390 243 HZ PHE 28 HZ PHE 28 7.615 3.444 -14.375 244 H ALA 29 H ALA 29 5.121 5.375 -6.904 245 HA ALA 29 HA ALA 29 3.020 7.243 -6.632 246 HB1 ALA 29 1HB ALA 29 2.952 5.052 -5.572 247 HB2 ALA 29 2HB ALA 29 2.752 6.334 -4.378 248 HB3 ALA 29 3HB ALA 29 4.300 5.504 -4.527 249 H LEU 30 H LEU 30 6.126 6.986 -4.884 250 HA LEU 30 HA LEU 30 5.699 9.690 -3.856 251 HB2 LEU 30 2HB LEU 30 7.732 7.589 -3.117 252 HB3 LEU 30 1HB LEU 30 7.655 9.187 -2.401 253 HG LEU 30 HG LEU 30 5.240 8.552 -1.744 254 HD11 LEU 30 1HD1 LEU 30 4.910 6.140 -1.394 255 HD12 LEU 30 2HD1 LEU 30 6.395 5.824 -2.290 256 HD13 LEU 30 3HD1 LEU 30 5.017 6.568 -3.101 257 HD21 LEU 30 3HD2 LEU 30 6.029 7.482 0.306 258 HD22 LEU 30 1HD2 LEU 30 7.057 8.841 -0.150 259 HD23 LEU 30 2HD2 LEU 30 7.596 7.189 -0.450 260 H THR 31 H THR 31 6.157 10.932 -5.663 261 HA THR 31 HA THR 31 8.769 10.656 -6.926 262 HB THR 31 HB THR 31 7.989 12.432 -8.461 263 HG1 THR 31 1HG THR 31 5.471 12.218 -7.159 264 HG21 THR 31 3HG2 THR 31 6.234 11.112 -9.562 265 HG22 THR 31 1HG2 THR 31 6.054 10.143 -8.099 266 HG23 THR 31 2HG2 THR 31 7.564 10.094 -9.009 267 H GLU 32 H GLU 32 6.891 13.154 -5.228 268 HA GLU 32 HA GLU 32 9.298 14.787 -4.952 269 HB2 GLU 32 2HB GLU 32 6.436 15.395 -4.191 270 HB3 GLU 32 1HB GLU 32 7.780 16.528 -4.123 271 HG2 GLU 32 2HG GLU 32 8.037 16.381 -6.542 272 HG3 GLU 32 1HG GLU 32 6.704 15.230 -6.617 273 H PHE 33 H PHE 33 7.974 12.305 -3.284 274 HA PHE 33 HA PHE 33 8.290 13.428 -0.623 275 HB2 PHE 33 2HB PHE 33 7.547 10.664 -1.582 276 HB3 PHE 33 1HB PHE 33 7.713 11.089 0.118 277 HD1 PHE 33 2HD PHE 33 6.229 12.921 1.041 278 HD2 PHE 33 1HD PHE 33 5.551 11.067 -2.730 279 HE1 PHE 33 2HE PHE 33 3.899 13.710 1.075 280 HE2 PHE 33 1HE PHE 33 3.223 11.856 -2.705 281 HZ PHE 33 HZ PHE 33 2.392 13.179 -0.800 282 H GLN 34 H GLN 34 10.138 11.642 -2.919 283 HA GLN 34 HA GLN 34 12.169 10.590 -2.838 284 HB2 GLN 34 2HB GLN 34 12.678 12.925 -0.986 285 HB3 GLN 34 1HB GLN 34 13.930 11.940 -1.730 286 HG2 GLN 34 2HG GLN 34 13.069 12.626 -3.954 287 HG3 GLN 34 1HG GLN 34 11.949 13.713 -3.136 288 HE21 GLN 34 1HE2 GLN 34 15.194 13.094 -2.009 289 HE22 GLN 34 2HE2 GLN 34 15.826 14.663 -2.359 290 H ILE 35 H ILE 35 10.583 9.117 -1.331 291 HA ILE 35 HA ILE 35 11.183 8.830 1.383 292 HB ILE 35 HB ILE 35 9.258 7.767 0.237 293 HG12 ILE 35 2HG1 ILE 35 10.952 5.684 1.618 294 HG13 ILE 35 1HG1 ILE 35 10.187 7.014 2.483 295 HG21 ILE 35 1HG2 ILE 35 9.576 5.663 -0.961 296 HG22 ILE 35 2HG2 ILE 35 11.324 5.834 -0.802 297 HG23 ILE 35 3HG2 ILE 35 10.409 6.995 -1.764 298 HD11 ILE 35 3HD1 ILE 35 8.856 5.001 2.646 299 HD12 ILE 35 1HD1 ILE 35 8.772 4.889 0.888 300 HD13 ILE 35 2HD1 ILE 35 7.994 6.234 1.724 301 H ALA 36 H ALA 36 12.601 7.494 2.512 302 HA ALA 36 HA ALA 36 15.162 7.137 1.328 303 HB1 ALA 36 1HB ALA 36 14.895 7.713 3.681 304 HB2 ALA 36 2HB ALA 36 15.818 6.222 3.493 305 HB3 ALA 36 3HB ALA 36 14.127 6.155 3.983 306 H ARG 37 H ARG 37 15.972 5.470 0.267 307 HA ARG 37 HA ARG 37 14.439 3.170 -0.335 308 HB2 ARG 37 2HB ARG 37 16.559 2.361 -1.416 309 HB3 ARG 37 1HB ARG 37 15.999 3.935 -1.963 310 HG2 ARG 37 2HG ARG 37 18.241 4.320 -1.715 311 HG3 ARG 37 1HG ARG 37 17.637 4.832 -0.138 312 HD2 ARG 37 2HD ARG 37 19.642 3.446 0.068 313 HD3 ARG 37 1HD ARG 37 18.242 2.678 0.814 314 HE ARG 37 HE ARG 37 18.459 1.761 -1.822 315 HH11 ARG 37 1HH1 ARG 37 20.164 1.558 1.211 316 HH12 ARG 37 2HH1 ARG 37 20.842 -0.000 0.873 317 HH21 ARG 37 1HH2 ARG 37 19.348 -0.295 -2.273 318 HH22 ARG 37 2HH2 ARG 37 20.378 -1.052 -1.105 319 H SER 38 H SER 38 16.516 3.917 2.279 320 HA SER 38 HA SER 38 17.394 1.279 2.891 321 HB2 SER 38 2HB SER 38 18.026 2.229 5.081 322 HB3 SER 38 1HB SER 38 18.582 3.238 3.746 323 HG SER 38 HG SER 38 16.759 4.580 4.120 324 H THR 39 H THR 39 14.511 3.098 3.575 325 HA THR 39 HA THR 39 13.549 1.656 5.786 326 HB THR 39 HB THR 39 11.352 2.538 5.244 327 HG1 THR 39 1HG THR 39 10.830 2.958 3.242 328 HG21 THR 39 3HG2 THR 39 11.888 4.939 5.131 329 HG22 THR 39 1HG2 THR 39 13.544 4.537 4.676 330 HG23 THR 39 2HG2 THR 39 12.931 4.084 6.267 331 H LEU 40 H LEU 40 13.831 0.756 2.496 332 HA LEU 40 HA LEU 40 11.700 -0.926 2.042 333 HB2 LEU 40 2HB LEU 40 14.509 -0.838 1.095 334 HB3 LEU 40 1HB LEU 40 13.600 -2.301 0.773 335 HG LEU 40 HG LEU 40 11.897 -0.989 -0.419 336 HD11 LEU 40 1HD1 LEU 40 12.187 1.118 0.825 337 HD12 LEU 40 2HD1 LEU 40 12.240 1.347 -0.923 338 HD13 LEU 40 3HD1 LEU 40 13.733 1.361 0.013 339 HD21 LEU 40 3HD2 LEU 40 13.752 -1.955 -1.663 340 HD22 LEU 40 1HD2 LEU 40 14.715 -0.505 -1.375 341 HD23 LEU 40 2HD2 LEU 40 13.259 -0.415 -2.366 342 H ASP 41 H ASP 41 14.107 -1.328 4.417 343 HA ASP 41 HA ASP 41 14.306 -4.120 4.562 344 HB2 ASP 41 2HB ASP 41 15.797 -2.605 5.794 345 HB3 ASP 41 1HB ASP 41 14.450 -2.095 6.807 346 H VAL 42 H VAL 42 12.124 -1.898 6.277 347 HA VAL 42 HA VAL 42 10.250 -4.138 6.673 348 HB VAL 42 HB VAL 42 9.566 -2.960 8.824 349 HG11 VAL 42 1HG1 VAL 42 12.300 -4.226 8.659 350 HG12 VAL 42 2HG1 VAL 42 10.763 -5.072 8.836 351 HG13 VAL 42 3HG1 VAL 42 11.353 -4.034 10.134 352 HG21 VAL 42 3HG2 VAL 42 10.710 -0.842 8.407 353 HG22 VAL 42 1HG2 VAL 42 12.267 -1.667 8.460 354 HG23 VAL 42 2HG2 VAL 42 11.267 -1.580 9.909 355 H ALA 43 H ALA 43 10.635 -1.680 4.865 356 HA ALA 43 HA ALA 43 8.834 0.319 5.220 357 HB1 ALA 43 1HB ALA 43 8.726 0.523 2.797 358 HB2 ALA 43 2HB ALA 43 9.442 -1.080 2.636 359 HB3 ALA 43 3HB ALA 43 10.372 0.234 3.357 360 H ASP 44 H ASP 44 8.061 -2.935 4.107 361 HA ASP 44 HA ASP 44 5.509 -2.397 3.139 362 HB2 ASP 44 2HB ASP 44 5.040 -4.797 3.570 363 HB3 ASP 44 1HB ASP 44 6.568 -4.526 2.739 364 H ARG 45 H ARG 45 6.350 -3.560 6.438 365 HA ARG 45 HA ARG 45 3.626 -3.151 7.260 366 HB2 ARG 45 2HB ARG 45 4.524 -3.813 9.534 367 HB3 ARG 45 1HB ARG 45 4.639 -5.006 8.250 368 HG2 ARG 45 2HG ARG 45 7.014 -4.335 7.926 369 HG3 ARG 45 1HG ARG 45 6.858 -3.292 9.340 370 HD2 ARG 45 2HD ARG 45 7.864 -5.437 9.924 371 HD3 ARG 45 1HD ARG 45 6.309 -5.215 10.723 372 HE ARG 45 HE ARG 45 6.049 -6.634 8.266 373 HH11 ARG 45 1HH1 ARG 45 6.959 -6.973 11.610 374 HH12 ARG 45 2HH1 ARG 45 6.573 -8.661 11.678 375 HH21 ARG 45 1HH2 ARG 45 5.540 -8.858 8.346 376 HH22 ARG 45 2HH2 ARG 45 5.768 -9.731 9.824 377 H THR 46 H THR 46 6.676 -1.737 8.515 378 HA THR 46 HA THR 46 5.163 0.216 10.005 379 HB THR 46 HB THR 46 7.304 0.910 10.940 380 HG1 THR 46 1HG THR 46 8.849 -1.056 9.954 381 HG21 THR 46 3HG2 THR 46 6.098 -0.992 11.922 382 HG22 THR 46 1HG2 THR 46 7.844 -1.191 12.071 383 HG23 THR 46 2HG2 THR 46 6.955 -2.090 10.842 384 H GLU 47 H GLU 47 7.850 0.599 7.661 385 HA GLU 47 HA GLU 47 7.643 3.429 7.745 386 HB2 GLU 47 2HB GLU 47 9.328 1.448 6.388 387 HB3 GLU 47 1HB GLU 47 9.193 3.010 5.585 388 HG2 GLU 47 2HG GLU 47 11.111 2.959 7.062 389 HG3 GLU 47 1HG GLU 47 9.918 4.124 7.632 390 H LEU 48 H LEU 48 7.079 1.308 4.900 391 HA LEU 48 HA LEU 48 6.180 3.387 3.267 392 HB2 LEU 48 2HB LEU 48 6.676 0.738 2.891 393 HB3 LEU 48 1HB LEU 48 4.930 0.780 2.753 394 HG LEU 48 HG LEU 48 6.867 2.403 1.101 395 HD11 LEU 48 1HD1 LEU 48 6.150 0.980 -0.741 396 HD12 LEU 48 2HD1 LEU 48 5.137 0.050 0.361 397 HD13 LEU 48 3HD1 LEU 48 6.890 0.027 0.545 398 HD21 LEU 48 3HD2 LEU 48 3.864 2.184 0.933 399 HD22 LEU 48 1HD2 LEU 48 4.900 3.040 -0.207 400 HD23 LEU 48 2HD2 LEU 48 4.774 3.600 1.461 401 H ALA 49 H ALA 49 4.241 1.077 5.165 402 HA ALA 49 HA ALA 49 1.726 1.932 4.391 403 HB1 ALA 49 1HB ALA 49 0.894 0.935 6.438 404 HB2 ALA 49 2HB ALA 49 2.521 0.933 7.119 405 HB3 ALA 49 3HB ALA 49 2.147 -0.079 5.723 406 H ASP 50 H ASP 50 3.524 3.032 7.280 407 HA ASP 50 HA ASP 50 1.598 4.984 7.990 408 HB2 ASP 50 2HB ASP 50 3.183 3.989 9.596 409 HB3 ASP 50 1HB ASP 50 4.508 4.823 8.791 410 H HIS 51 H HIS 51 4.588 5.166 6.118 411 HA HIS 51 HA HIS 51 4.779 7.969 6.002 412 HB2 HIS 51 2HB HIS 51 6.570 6.282 5.400 413 HB3 HIS 51 1HB HIS 51 5.740 6.074 3.863 414 HD1 HIS 51 1HD HIS 51 6.460 7.641 2.036 415 HD2 HIS 51 2HD HIS 51 7.436 9.049 5.822 416 HE1 HIS 51 1HE HIS 51 7.827 9.741 1.684 417 H LEU 52 H LEU 52 3.488 5.702 3.557 418 HA LEU 52 HA LEU 52 2.723 7.594 1.689 419 HB2 LEU 52 2HB LEU 52 1.230 5.924 0.763 420 HB3 LEU 52 1HB LEU 52 2.768 5.212 1.204 421 HG LEU 52 HG LEU 52 1.441 4.611 3.427 422 HD11 LEU 52 1HD1 LEU 52 -0.873 4.002 2.904 423 HD12 LEU 52 2HD1 LEU 52 -0.711 4.770 1.325 424 HD13 LEU 52 3HD1 LEU 52 -0.610 5.742 2.793 425 HD21 LEU 52 3HD2 LEU 52 2.511 2.971 2.042 426 HD22 LEU 52 1HD2 LEU 52 1.268 3.142 0.803 427 HD23 LEU 52 2HD2 LEU 52 0.863 2.442 2.369 428 H ILE 53 H ILE 53 1.071 6.607 4.626 429 HA ILE 53 HA ILE 53 -1.475 7.617 4.105 430 HB ILE 53 HB ILE 53 0.048 7.407 6.699 431 HG12 ILE 53 2HG1 ILE 53 -0.493 5.244 5.970 432 HG13 ILE 53 1HG1 ILE 53 -1.789 5.645 7.091 433 HG21 ILE 53 1HG2 ILE 53 -2.823 8.229 6.320 434 HG22 ILE 53 2HG2 ILE 53 -1.520 9.214 6.982 435 HG23 ILE 53 3HG2 ILE 53 -2.089 7.796 7.862 436 HD11 ILE 53 3HD1 ILE 53 -2.739 4.558 5.204 437 HD12 ILE 53 1HD1 ILE 53 -1.912 5.643 4.090 438 HD13 ILE 53 2HD1 ILE 53 -3.189 6.259 5.129 439 H GLN 54 H GLN 54 1.403 9.262 5.329 440 HA GLN 54 HA GLN 54 0.260 11.719 5.969 441 HB2 GLN 54 2HB GLN 54 3.031 11.122 4.920 442 HB3 GLN 54 1HB GLN 54 2.542 12.647 5.647 443 HG2 GLN 54 2HG GLN 54 2.022 11.456 7.736 444 HG3 GLN 54 1HG GLN 54 2.597 9.960 7.001 445 HE21 GLN 54 1HE2 GLN 54 3.493 13.056 8.290 446 HE22 GLN 54 2HE2 GLN 54 5.190 12.750 8.400 447 H SER 55 H SER 55 1.024 10.356 2.863 448 HA SER 55 HA SER 55 1.281 12.650 1.315 449 HB2 SER 55 2HB SER 55 0.016 10.022 0.512 450 HB3 SER 55 1HB SER 55 0.624 11.253 -0.593 451 HG SER 55 HG SER 55 2.679 10.912 0.696 452 H ALA 56 H ALA 56 -1.728 10.746 1.780 453 HA ALA 56 HA ALA 56 -3.216 13.235 1.238 454 HB1 ALA 56 1HB ALA 56 -3.377 11.692 -0.655 455 HB2 ALA 56 2HB ALA 56 -4.940 11.933 0.125 456 HB3 ALA 56 3HB ALA 56 -4.029 10.452 0.417 457 H GLY 57 H GLY 57 -3.104 10.209 3.026 458 HA2 GLY 57 2HA GLY 57 -4.010 10.968 5.423 459 HA3 GLY 57 1HA GLY 57 -5.514 10.860 4.519 460 H ALA 58 H ALA 58 -5.551 9.254 6.549 461 HA ALA 58 HA ALA 58 -4.248 6.773 6.297 462 HB1 ALA 58 1HB ALA 58 -5.862 5.951 7.931 463 HB2 ALA 58 2HB ALA 58 -6.831 7.409 7.710 464 HB3 ALA 58 3HB ALA 58 -5.210 7.521 8.398 465 H ALA 59 H ALA 59 -7.745 7.323 5.876 466 HA ALA 59 HA ALA 59 -8.130 4.914 4.434 467 HB1 ALA 59 1HB ALA 59 -9.930 7.328 4.587 468 HB2 ALA 59 2HB ALA 59 -9.900 5.995 5.742 469 HB3 ALA 59 3HB ALA 59 -10.397 5.708 4.075 470 H SER 60 H SER 60 -7.507 8.217 3.453 471 HA SER 60 HA SER 60 -8.273 7.961 0.747 472 HB2 SER 60 2HB SER 60 -6.300 9.870 2.016 473 HB3 SER 60 1HB SER 60 -7.004 10.045 0.407 474 HG SER 60 HG SER 60 -8.065 10.641 2.846 475 H ALA 61 H ALA 61 -5.003 7.958 2.193 476 HA ALA 61 HA ALA 61 -3.617 7.430 -0.174 477 HB1 ALA 61 1HB ALA 61 -2.571 8.238 1.899 478 HB2 ALA 61 2HB ALA 61 -1.735 6.845 1.215 479 HB3 ALA 61 3HB ALA 61 -2.791 6.641 2.611 480 H VAL 62 H VAL 62 -4.743 5.136 2.312 481 HA VAL 62 HA VAL 62 -3.687 2.818 1.176 482 HB VAL 62 HB VAL 62 -6.219 3.096 2.801 483 HG11 VAL 62 1HG1 VAL 62 -4.524 0.672 2.208 484 HG12 VAL 62 2HG1 VAL 62 -6.178 0.955 1.667 485 HG13 VAL 62 3HG1 VAL 62 -5.837 0.725 3.383 486 HG21 VAL 62 3HG2 VAL 62 -4.176 3.990 3.872 487 HG22 VAL 62 1HG2 VAL 62 -3.421 2.408 3.684 488 HG23 VAL 62 2HG2 VAL 62 -4.841 2.590 4.715 489 H THR 63 H THR 63 -6.575 4.616 0.356 490 HA THR 63 HA THR 63 -7.723 2.533 -1.246 491 HB THR 63 HB THR 63 -8.355 5.490 -1.198 492 HG1 THR 63 1HG THR 63 -9.852 3.379 -0.029 493 HG21 THR 63 3HG2 THR 63 -10.479 4.831 -2.244 494 HG22 THR 63 1HG2 THR 63 -9.907 3.166 -2.348 495 HG23 THR 63 2HG2 THR 63 -9.102 4.434 -3.273 496 H LYS 64 H LYS 64 -6.079 5.606 -2.011 497 HA LYS 64 HA LYS 64 -6.109 5.196 -4.811 498 HB2 LYS 64 2HB LYS 64 -4.464 7.037 -4.893 499 HB3 LYS 64 1HB LYS 64 -5.859 7.423 -3.898 500 HG2 LYS 64 2HG LYS 64 -4.171 8.208 -2.580 501 HG3 LYS 64 1HG LYS 64 -4.322 6.565 -1.954 502 HD2 LYS 64 2HD LYS 64 -2.459 5.848 -3.355 503 HD3 LYS 64 1HD LYS 64 -2.332 7.470 -4.037 504 HE2 LYS 64 2HE LYS 64 -1.818 8.354 -1.805 505 HE3 LYS 64 1HE LYS 64 -1.926 6.723 -1.142 506 HZ1 LYS 64 3HZ LYS 64 0.367 7.400 -1.570 507 HZ2 LYS 64 1HZ LYS 64 0.015 7.594 -3.214 508 HZ3 LYS 64 2HZ LYS 64 -0.066 6.060 -2.505 509 H ALA 65 H ALA 65 -4.089 4.008 -2.296 510 HA ALA 65 HA ALA 65 -1.720 3.502 -3.710 511 HB1 ALA 65 1HB ALA 65 -1.853 3.377 -1.282 512 HB2 ALA 65 2HB ALA 65 -1.237 1.867 -1.952 513 HB3 ALA 65 3HB ALA 65 -2.909 1.969 -1.400 514 H ILE 66 H ILE 66 -4.736 1.715 -3.501 515 HA ILE 66 HA ILE 66 -3.819 -0.701 -4.648 516 HB ILE 66 HB ILE 66 -6.604 0.472 -4.642 517 HG12 ILE 66 2HG1 ILE 66 -5.689 0.133 -2.389 518 HG13 ILE 66 1HG1 ILE 66 -6.990 -1.005 -2.722 519 HG21 ILE 66 1HG2 ILE 66 -7.361 -1.837 -5.020 520 HG22 ILE 66 2HG2 ILE 66 -5.682 -2.342 -5.211 521 HG23 ILE 66 3HG2 ILE 66 -6.402 -1.218 -6.363 522 HD11 ILE 66 3HD1 ILE 66 -5.202 -2.116 -1.564 523 HD12 ILE 66 1HD1 ILE 66 -4.040 -1.588 -2.779 524 HD13 ILE 66 2HD1 ILE 66 -5.309 -2.735 -3.210 525 H ASN 67 H ASN 67 -5.143 2.257 -6.034 526 HA ASN 67 HA ASN 67 -5.515 1.314 -8.659 527 HB2 ASN 67 2HB ASN 67 -6.542 3.377 -7.835 528 HB3 ASN 67 1HB ASN 67 -4.954 4.124 -7.693 529 HD21 ASN 67 1HD2 ASN 67 -7.470 3.122 -9.844 530 HD22 ASN 67 2HD2 ASN 67 -6.857 3.903 -11.258 531 H ILE 68 H ILE 68 -2.725 2.862 -7.110 532 HA ILE 68 HA ILE 68 -1.200 3.012 -9.526 533 HB ILE 68 HB ILE 68 -0.211 3.173 -6.679 534 HG12 ILE 68 2HG1 ILE 68 -1.057 5.394 -8.555 535 HG13 ILE 68 1HG1 ILE 68 -1.991 4.822 -7.177 536 HG21 ILE 68 1HG2 ILE 68 1.018 4.131 -9.262 537 HG22 ILE 68 2HG2 ILE 68 1.567 2.764 -8.292 538 HG23 ILE 68 3HG2 ILE 68 1.675 4.401 -7.648 539 HD11 ILE 68 3HD1 ILE 68 -0.842 6.855 -6.605 540 HD12 ILE 68 1HD1 ILE 68 0.704 6.156 -7.085 541 HD13 ILE 68 2HD1 ILE 68 -0.157 5.513 -5.687 542 H PHE 69 H PHE 69 -1.093 0.885 -6.682 543 HA PHE 69 HA PHE 69 1.104 -0.660 -7.483 544 HB2 PHE 69 2HB PHE 69 0.228 -0.637 -5.187 545 HB3 PHE 69 1HB PHE 69 -1.225 -1.466 -5.732 546 HD1 PHE 69 2HD PHE 69 2.473 -1.846 -5.605 547 HD2 PHE 69 1HD PHE 69 -1.319 -3.777 -5.696 548 HE1 PHE 69 2HE PHE 69 3.574 -4.015 -5.233 549 HE2 PHE 69 1HE PHE 69 -0.224 -5.950 -5.325 550 HZ PHE 69 HZ PHE 69 2.225 -6.070 -5.094 551 H GLN 70 H GLN 70 -2.358 -1.100 -8.100 552 HA GLN 70 HA GLN 70 -2.159 -3.690 -9.173 553 HB2 GLN 70 2HB GLN 70 -4.399 -3.352 -10.034 554 HB3 GLN 70 1HB GLN 70 -4.276 -2.716 -8.402 555 HG2 GLN 70 2HG GLN 70 -4.016 -0.444 -9.381 556 HG3 GLN 70 1HG GLN 70 -4.331 -1.147 -10.967 557 HE21 GLN 70 1HE2 GLN 70 -6.188 0.066 -11.264 558 HE22 GLN 70 2HE2 GLN 70 -7.651 -0.257 -10.403 559 H LYS 71 H LYS 71 -2.541 -0.612 -10.942 560 HA LYS 71 HA LYS 71 -2.211 -1.795 -13.481 561 HB2 LYS 71 2HB LYS 71 -3.322 0.414 -12.932 562 HB3 LYS 71 1HB LYS 71 -1.708 1.096 -12.805 563 HG2 LYS 71 2HG LYS 71 -1.266 0.477 -15.131 564 HG3 LYS 71 1HG LYS 71 -2.896 -0.188 -15.257 565 HD2 LYS 71 2HD LYS 71 -2.228 2.687 -14.624 566 HD3 LYS 71 1HD LYS 71 -2.725 2.082 -16.205 567 HE2 LYS 71 2HE LYS 71 -4.360 1.963 -13.672 568 HE3 LYS 71 1HE LYS 71 -4.594 3.104 -14.994 569 HZ1 LYS 71 3HZ LYS 71 -4.870 0.152 -15.182 570 HZ2 LYS 71 1HZ LYS 71 -5.083 1.241 -16.461 571 HZ3 LYS 71 2HZ LYS 71 -6.143 1.264 -15.142 572 H LEU 72 H LEU 72 0.128 -1.288 -11.108 573 HA LEU 72 HA LEU 72 2.228 -0.711 -13.074 574 HB2 LEU 72 2HB LEU 72 1.824 -0.231 -10.253 575 HB3 LEU 72 1HB LEU 72 3.392 -0.940 -10.571 576 HG LEU 72 HG LEU 72 3.512 1.485 -10.506 577 HD11 LEU 72 1HD1 LEU 72 3.915 0.377 -13.280 578 HD12 LEU 72 2HD1 LEU 72 5.067 0.292 -11.948 579 HD13 LEU 72 3HD1 LEU 72 4.640 1.854 -12.646 580 HD21 LEU 72 3HD2 LEU 72 1.609 1.416 -12.844 581 HD22 LEU 72 1HD2 LEU 72 2.427 2.850 -12.222 582 HD23 LEU 72 2HD2 LEU 72 1.243 2.007 -11.223 583 H ASN 73 H ASN 73 1.460 -3.190 -10.603 584 HA ASN 73 HA ASN 73 3.510 -4.851 -11.915 585 HB2 ASN 73 2HB ASN 73 4.193 -3.985 -9.671 586 HB3 ASN 73 1HB ASN 73 2.892 -4.943 -8.970 587 HD21 ASN 73 1HD2 ASN 73 4.658 -6.074 -11.741 588 HD22 ASN 73 2HD2 ASN 73 5.535 -7.318 -10.925 589 H TYR 74 H TYR 74 0.603 -5.104 -9.855 590 HA TYR 74 HA TYR 74 -0.039 -7.595 -11.275 591 HB2 TYR 74 2HB TYR 74 0.227 -7.262 -8.307 592 HB3 TYR 74 1HB TYR 74 -0.813 -8.506 -8.989 593 HD1 TYR 74 1HD TYR 74 0.289 -10.116 -10.702 594 HD2 TYR 74 2HD TYR 74 2.490 -7.701 -7.977 595 HE1 TYR 74 1HE TYR 74 2.227 -11.607 -10.955 596 HE2 TYR 74 2HE TYR 74 4.434 -9.186 -8.223 597 HH TYR 74 HH TYR 74 4.636 -11.561 -10.667 598 H MET 75 H MET 75 -1.463 -5.691 -12.184 599 HA MET 75 HA MET 75 -3.614 -4.645 -10.807 600 HB2 MET 75 2HB MET 75 -4.773 -4.545 -13.014 601 HB3 MET 75 1HB MET 75 -3.133 -3.911 -13.044 602 HG2 MET 75 2HG MET 75 -2.316 -5.889 -14.107 603 HG3 MET 75 1HG MET 75 -3.871 -6.695 -13.910 604 HE1 MET 75 3HE MET 75 -1.949 -3.769 -15.710 605 HE2 MET 75 1HE MET 75 -3.298 -2.937 -14.936 606 HE3 MET 75 2HE MET 75 -3.233 -3.064 -16.694 607 H HIS 76 H HIS 76 -3.044 -7.907 -11.668 608 HA HIS 76 HA HIS 76 -5.802 -8.738 -11.581 609 HB2 HIS 76 2HB HIS 76 -4.063 -9.901 -12.950 610 HB3 HIS 76 1HB HIS 76 -3.306 -10.442 -11.456 611 HD1 HIS 76 1HD HIS 76 -5.868 -11.388 -13.877 612 HD2 HIS 76 2HD HIS 76 -5.028 -12.186 -9.887 613 HE1 HIS 76 1HE HIS 76 -7.193 -13.454 -13.272 614 H ILE 77 H ILE 77 -2.960 -9.158 -9.471 615 HA ILE 77 HA ILE 77 -4.290 -10.545 -7.416 616 HB ILE 77 HB ILE 77 -1.780 -8.875 -7.369 617 HG12 ILE 77 2HG1 ILE 77 -2.258 -11.864 -7.346 618 HG13 ILE 77 1HG1 ILE 77 -1.684 -10.922 -8.717 619 HG21 ILE 77 1HG2 ILE 77 -1.291 -9.876 -5.184 620 HG22 ILE 77 2HG2 ILE 77 -2.886 -10.630 -5.178 621 HG23 ILE 77 3HG2 ILE 77 -2.741 -8.873 -5.134 622 HD11 ILE 77 3HD1 ILE 77 0.168 -12.052 -7.721 623 HD12 ILE 77 1HD1 ILE 77 -0.241 -11.417 -6.127 624 HD13 ILE 77 2HD1 ILE 77 0.323 -10.327 -7.392 625 H ALA 78 H ALA 78 -3.508 -7.085 -7.731 626 HA ALA 78 HA ALA 78 -4.494 -6.210 -5.292 627 HB1 ALA 78 1HB ALA 78 -3.192 -4.793 -6.790 628 HB2 ALA 78 2HB ALA 78 -4.698 -4.007 -6.319 629 HB3 ALA 78 3HB ALA 78 -4.546 -4.732 -7.919 630 H ASN 79 H ASN 79 -6.227 -7.063 -8.211 631 HA ASN 79 HA ASN 79 -8.672 -5.830 -7.756 632 HB2 ASN 79 2HB ASN 79 -8.186 -6.977 -9.842 633 HB3 ASN 79 1HB ASN 79 -8.110 -8.525 -9.008 634 HD21 ASN 79 1HD2 ASN 79 -10.189 -5.971 -10.131 635 HD22 ASN 79 2HD2 ASN 79 -11.669 -6.853 -10.013 636 H ALA 80 H ALA 80 -7.422 -8.875 -6.477 637 HA ALA 80 HA ALA 80 -9.833 -9.596 -5.131 638 HB1 ALA 80 1HB ALA 80 -8.144 -11.245 -5.817 639 HB2 ALA 80 2HB ALA 80 -8.513 -11.344 -4.095 640 HB3 ALA 80 3HB ALA 80 -7.023 -10.570 -4.634 641 H LEU 81 H LEU 81 -6.987 -7.750 -4.277 642 HA LEU 81 HA LEU 81 -7.438 -7.738 -1.466 643 HB2 LEU 81 2HB LEU 81 -5.232 -7.359 -2.462 644 HB3 LEU 81 1HB LEU 81 -5.807 -5.863 -3.171 645 HG LEU 81 HG LEU 81 -6.202 -4.986 -0.864 646 HD11 LEU 81 1HD1 LEU 81 -4.724 -7.484 -0.045 647 HD12 LEU 81 2HD1 LEU 81 -6.415 -7.122 0.295 648 HD13 LEU 81 3HD1 LEU 81 -5.142 -6.135 1.011 649 HD21 LEU 81 3HD2 LEU 81 -3.858 -4.540 -0.402 650 HD22 LEU 81 1HD2 LEU 81 -4.177 -4.442 -2.134 651 HD23 LEU 81 2HD2 LEU 81 -3.380 -5.865 -1.463 652 H GLU 82 H GLU 82 -8.172 -5.399 -4.045 653 HA GLU 82 HA GLU 82 -9.069 -3.305 -2.451 654 HB2 GLU 82 2HB GLU 82 -10.260 -2.492 -4.405 655 HB3 GLU 82 1HB GLU 82 -8.680 -3.107 -4.872 656 HG2 GLU 82 2HG GLU 82 -9.661 -5.124 -5.727 657 HG3 GLU 82 1HG GLU 82 -11.252 -4.644 -5.136 658 H GLU 83 H GLU 83 -10.605 -6.317 -3.223 659 HA GLU 83 HA GLU 83 -13.285 -5.664 -2.781 660 HB2 GLU 83 2HB GLU 83 -12.594 -7.814 -3.714 661 HB3 GLU 83 1HB GLU 83 -11.837 -8.252 -2.188 662 HG2 GLU 83 2HG GLU 83 -14.029 -8.196 -1.094 663 HG3 GLU 83 1HG GLU 83 -14.777 -7.787 -2.638 664 H LYS 84 H LYS 84 -10.681 -6.333 -0.537 665 HA LYS 84 HA LYS 84 -12.120 -6.764 1.802 666 HB2 LYS 84 2HB LYS 84 -9.655 -7.062 1.502 667 HB3 LYS 84 1HB LYS 84 -9.481 -5.313 1.559 668 HG2 LYS 84 2HG LYS 84 -8.945 -6.150 3.708 669 HG3 LYS 84 1HG LYS 84 -10.521 -5.367 3.832 670 HD2 LYS 84 2HD LYS 84 -11.387 -7.809 3.321 671 HD3 LYS 84 1HD LYS 84 -9.812 -8.256 3.981 672 HE2 LYS 84 2HE LYS 84 -11.532 -8.228 5.718 673 HE3 LYS 84 1HE LYS 84 -10.297 -7.004 6.014 674 HZ1 LYS 84 3HZ LYS 84 -13.013 -6.571 4.905 675 HZ2 LYS 84 1HZ LYS 84 -11.817 -5.376 4.953 676 HZ3 LYS 84 2HZ LYS 84 -12.419 -6.029 6.393 677 H LYS 85 H LYS 85 -11.414 -3.814 0.089 678 HA LYS 85 HA LYS 85 -11.843 -1.920 2.086 679 HB2 LYS 85 2HB LYS 85 -10.972 -1.502 -0.231 680 HB3 LYS 85 1HB LYS 85 -12.621 -1.642 -0.818 681 HG2 LYS 85 2HG LYS 85 -12.040 0.311 1.350 682 HG3 LYS 85 1HG LYS 85 -11.547 0.694 -0.299 683 HD2 LYS 85 2HD LYS 85 -14.348 -0.060 0.539 684 HD3 LYS 85 1HD LYS 85 -13.782 1.588 0.273 685 HE2 LYS 85 2HE LYS 85 -13.868 -0.617 -1.786 686 HE3 LYS 85 1HE LYS 85 -14.983 0.746 -1.676 687 HZ1 LYS 85 3HZ LYS 85 -13.112 2.241 -2.066 688 HZ2 LYS 85 1HZ LYS 85 -13.297 1.146 -3.342 689 HZ3 LYS 85 2HZ LYS 85 -12.065 0.920 -2.205 690 H LYS 86 H LYS 86 -14.141 -3.721 0.130 691 HA LYS 86 HA LYS 86 -16.458 -2.272 0.576 692 HB2 LYS 86 2HB LYS 86 -16.082 -5.259 0.326 693 HB3 LYS 86 1HB LYS 86 -17.648 -4.459 0.282 694 HG2 LYS 86 2HG LYS 86 -15.408 -3.873 -1.641 695 HG3 LYS 86 1HG LYS 86 -16.709 -5.024 -1.953 696 HD2 LYS 86 2HD LYS 86 -18.354 -3.226 -1.715 697 HD3 LYS 86 1HD LYS 86 -17.051 -2.077 -1.397 698 HE2 LYS 86 2HE LYS 86 -17.785 -1.927 -3.714 699 HE3 LYS 86 1HE LYS 86 -16.126 -2.514 -3.620 700 HZ1 LYS 86 3HZ LYS 86 -17.438 -3.766 -5.223 701 HZ2 LYS 86 1HZ LYS 86 -18.530 -4.215 -4.009 702 HZ3 LYS 86 2HZ LYS 86 -16.930 -4.761 -3.952 703 H GLU 87 H GLU 87 -15.142 -4.931 2.553 704 HA GLU 87 HA GLU 87 -17.168 -4.684 4.553 705 HB2 GLU 87 2HB GLU 87 -16.009 -6.806 4.155 706 HB3 GLU 87 1HB GLU 87 -14.487 -6.077 4.647 707 HG2 GLU 87 2HG GLU 87 -15.408 -5.716 6.895 708 HG3 GLU 87 1HG GLU 87 -16.903 -6.503 6.393 709 H ALA 88 H ALA 88 -14.026 -3.290 4.027 710 HA ALA 88 HA ALA 88 -13.295 -2.453 6.554 711 HB1 ALA 88 1HB ALA 88 -12.002 -0.714 5.474 712 HB2 ALA 88 2HB ALA 88 -12.950 -0.892 3.997 713 HB3 ALA 88 3HB ALA 88 -11.904 -2.205 4.538 714 H GLU 89 H GLU 89 -15.827 -1.242 4.501 715 HA GLU 89 HA GLU 89 -16.234 1.309 5.451 716 HB2 GLU 89 2HB GLU 89 -18.279 -0.759 4.640 717 HB3 GLU 89 1HB GLU 89 -18.648 0.942 4.898 718 HG2 GLU 89 2HG GLU 89 -17.116 1.554 3.104 719 HG3 GLU 89 1HG GLU 89 -16.723 -0.147 2.855 720 H ARG 90 H ARG 90 -17.693 -1.679 6.768 721 HA ARG 90 HA ARG 90 -18.893 -0.298 8.962 722 HB2 ARG 90 2HB ARG 90 -19.580 -2.466 9.747 723 HB3 ARG 90 1HB ARG 90 -19.798 -2.406 8.004 724 HG2 ARG 90 2HG ARG 90 -17.816 -3.719 7.659 725 HG3 ARG 90 1HG ARG 90 -17.437 -3.670 9.381 726 HD2 ARG 90 2HD ARG 90 -19.615 -4.832 9.802 727 HD3 ARG 90 1HD ARG 90 -19.779 -5.027 8.057 728 HE ARG 90 HE ARG 90 -17.290 -6.044 8.812 729 HH11 ARG 90 1HH1 ARG 90 -20.674 -6.749 9.261 730 HH12 ARG 90 2HH1 ARG 90 -20.427 -8.451 9.453 731 HH21 ARG 90 1HH2 ARG 90 -16.956 -8.287 9.066 732 HH22 ARG 90 2HH2 ARG 90 -18.314 -9.325 9.346 733 H LYS 91 H LYS 91 -15.769 -1.595 8.384 734 HA LYS 91 HA LYS 91 -15.046 -2.150 11.079 735 HB2 LYS 91 2HB LYS 91 -13.432 -1.652 8.586 736 HB3 LYS 91 1HB LYS 91 -12.679 -1.957 10.145 737 HG2 LYS 91 2HG LYS 91 -13.843 -4.121 10.260 738 HG3 LYS 91 1HG LYS 91 -14.527 -3.815 8.664 739 HD2 LYS 91 2HD LYS 91 -12.591 -5.254 8.462 740 HD3 LYS 91 1HD LYS 91 -12.242 -3.683 7.741 741 HE2 LYS 91 2HE LYS 91 -10.371 -4.541 9.098 742 HE3 LYS 91 1HE LYS 91 -11.005 -3.012 9.707 743 HZ1 LYS 91 3HZ LYS 91 -10.590 -4.582 11.496 744 HZ2 LYS 91 1HZ LYS 91 -11.648 -5.700 10.794 745 HZ3 LYS 91 2HZ LYS 91 -12.239 -4.229 11.385 746 H LEU 92 H LEU 92 -15.322 0.753 9.258 747 HA LEU 92 HA LEU 92 -13.689 2.230 11.195 748 HB2 LEU 92 2HB LEU 92 -14.683 2.833 8.437 749 HB3 LEU 92 1HB LEU 92 -14.225 4.145 9.506 750 HG LEU 92 HG LEU 92 -11.963 3.139 9.717 751 HD11 LEU 92 1HD1 LEU 92 -11.278 1.394 8.164 752 HD12 LEU 92 2HD1 LEU 92 -12.931 1.265 7.563 753 HD13 LEU 92 3HD1 LEU 92 -12.561 0.819 9.229 754 HD21 LEU 92 3HD2 LEU 92 -12.876 3.734 6.905 755 HD22 LEU 92 1HD2 LEU 92 -11.206 3.763 7.471 756 HD23 LEU 92 2HD2 LEU 92 -12.374 4.917 8.113 757 H MET 93 H MET 93 -16.670 1.181 11.235 758 HA MET 93 HA MET 93 -17.938 3.720 11.974 759 HB2 MET 93 2HB MET 93 -19.146 0.983 11.543 760 HB3 MET 93 1HB MET 93 -20.051 2.429 11.969 761 HG2 MET 93 2HG MET 93 -19.309 3.482 9.875 762 HG3 MET 93 1HG MET 93 -18.476 1.990 9.444 763 HE1 MET 93 3HE MET 93 -20.536 3.397 7.539 764 HE2 MET 93 1HE MET 93 -21.545 2.056 6.995 765 HE3 MET 93 2HE MET 93 -19.797 1.854 7.111 766 H THR 94 H THR 94 -16.675 0.799 13.303 767 HA THR 94 HA THR 94 -17.722 1.556 15.954 768 HB THR 94 HB THR 94 -17.525 -0.781 16.634 769 HG1 THR 94 1HG THR 94 -16.793 -1.278 13.922 770 HG21 THR 94 3HG2 THR 94 -19.645 -0.037 15.658 771 HG22 THR 94 1HG2 THR 94 -19.326 -1.727 15.271 772 HG23 THR 94 2HG2 THR 94 -19.064 -0.480 14.052 773 H ASN 95 H ASN 95 -16.252 2.279 17.329 774 HA ASN 95 HA ASN 95 -13.663 1.064 17.566 775 HB2 ASN 95 2HB ASN 95 -12.496 3.343 17.263 776 HB3 ASN 95 1HB ASN 95 -12.962 2.457 15.815 777 HD21 ASN 95 1HD2 ASN 95 -12.967 4.359 14.608 778 HD22 ASN 95 2HD2 ASN 95 -14.241 5.518 14.739 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -10.333 -0.828 14.325 2 H2 MET 1 2HT MET 1 -9.575 -1.564 15.646 3 H3 MET 1 3HT MET 1 -9.371 -2.201 14.092 4 HA MET 1 HA MET 1 -8.441 0.464 14.985 5 HB2 MET 1 2HB MET 1 -6.915 -2.099 14.482 6 HB3 MET 1 1HB MET 1 -6.171 -0.531 14.766 7 HG2 MET 1 2HG MET 1 -7.221 -0.455 16.984 8 HG3 MET 1 1HG MET 1 -7.903 -2.055 16.697 9 HE1 MET 1 2HE MET 1 -6.098 -1.283 19.248 10 HE2 MET 1 3HE MET 1 -5.105 -2.736 19.362 11 HE3 MET 1 1HE MET 1 -6.823 -2.870 18.986 12 H GLU 2 H GLU 2 -7.864 1.818 13.395 13 HA GLU 2 HA GLU 2 -8.472 1.182 10.694 14 HB2 GLU 2 2HB GLU 2 -7.639 3.428 10.181 15 HB3 GLU 2 1HB GLU 2 -8.722 3.454 11.566 16 HG2 GLU 2 2HG GLU 2 -6.777 3.526 13.062 17 HG3 GLU 2 1HG GLU 2 -5.715 3.552 11.656 18 H SER 3 H SER 3 -5.543 1.190 12.594 19 HA SER 3 HA SER 3 -3.652 1.194 10.524 20 HB2 SER 3 2HB SER 3 -3.497 -0.128 13.244 21 HB3 SER 3 1HB SER 3 -2.124 0.164 12.177 22 HG SER 3 HG SER 3 -3.613 1.958 13.704 23 H GLU 4 H GLU 4 -5.767 -1.278 11.701 24 HA GLU 4 HA GLU 4 -4.362 -3.517 10.656 25 HB2 GLU 4 2HB GLU 4 -6.061 -3.713 12.431 26 HB3 GLU 4 1HB GLU 4 -7.303 -3.214 11.292 27 HG2 GLU 4 2HG GLU 4 -6.855 -5.209 9.944 28 HG3 GLU 4 1HG GLU 4 -5.635 -5.714 11.114 29 H TYR 5 H TYR 5 -6.622 -1.222 9.336 30 HA TYR 5 HA TYR 5 -7.077 -2.770 6.926 31 HB2 TYR 5 2HB TYR 5 -8.950 -1.513 7.730 32 HB3 TYR 5 1HB TYR 5 -7.996 -0.037 7.823 33 HD1 TYR 5 2HD TYR 5 -8.641 -2.586 5.155 34 HD2 TYR 5 1HD TYR 5 -8.659 1.522 6.268 35 HE1 TYR 5 2HE TYR 5 -9.363 -1.979 2.884 36 HE2 TYR 5 1HE TYR 5 -9.380 2.138 3.999 37 HH TYR 5 HH TYR 5 -10.496 -0.154 1.737 38 H ARG 6 H ARG 6 -5.083 -0.112 7.997 39 HA ARG 6 HA ARG 6 -4.300 0.651 5.327 40 HB2 ARG 6 2HB ARG 6 -3.116 1.454 7.987 41 HB3 ARG 6 1HB ARG 6 -2.791 2.218 6.438 42 HG2 ARG 6 2HG ARG 6 -5.157 2.875 6.291 43 HG3 ARG 6 1HG ARG 6 -5.436 2.156 7.878 44 HD2 ARG 6 2HD ARG 6 -3.484 4.384 7.312 45 HD3 ARG 6 1HD ARG 6 -5.111 4.611 7.950 46 HE ARG 6 HE ARG 6 -3.789 2.808 9.614 47 HH11 ARG 6 1HH1 ARG 6 -3.568 6.151 8.661 48 HH12 ARG 6 2HH1 ARG 6 -2.879 6.670 10.163 49 HH21 ARG 6 1HH2 ARG 6 -2.883 3.482 11.600 50 HH22 ARG 6 2HH2 ARG 6 -2.490 5.153 11.832 51 H GLU 7 H GLU 7 -2.496 -0.617 8.126 52 HA GLU 7 HA GLU 7 -0.105 -1.133 6.827 53 HB2 GLU 7 2HB GLU 7 -0.455 -1.165 9.284 54 HB3 GLU 7 1HB GLU 7 -1.285 -2.706 9.118 55 HG2 GLU 7 2HG GLU 7 0.729 -3.751 8.308 56 HG3 GLU 7 1HG GLU 7 1.575 -2.205 8.331 57 H MET 8 H MET 8 -2.752 -3.445 7.457 58 HA MET 8 HA MET 8 -1.587 -5.656 6.222 59 HB2 MET 8 2HB MET 8 -3.542 -5.833 7.665 60 HB3 MET 8 1HB MET 8 -4.512 -4.951 6.493 61 HG2 MET 8 2HG MET 8 -4.985 -7.310 6.367 62 HG3 MET 8 1HG MET 8 -4.205 -6.767 4.882 63 HE1 MET 8 3HE MET 8 -3.833 -9.332 4.300 64 HE2 MET 8 1HE MET 8 -4.495 -9.869 5.843 65 HE3 MET 8 2HE MET 8 -2.918 -10.452 5.308 66 H LEU 9 H LEU 9 -3.857 -3.283 4.841 67 HA LEU 9 HA LEU 9 -4.063 -4.426 2.301 68 HB2 LEU 9 2HB LEU 9 -5.544 -2.660 3.174 69 HB3 LEU 9 1HB LEU 9 -4.235 -1.504 3.020 70 HG LEU 9 HG LEU 9 -4.983 -2.984 0.564 71 HD11 LEU 9 1HD1 LEU 9 -6.740 -0.901 1.842 72 HD12 LEU 9 2HD1 LEU 9 -7.179 -2.545 1.378 73 HD13 LEU 9 3HD1 LEU 9 -6.819 -1.344 0.138 74 HD21 LEU 9 3HD2 LEU 9 -3.213 -1.348 0.487 75 HD22 LEU 9 1HD2 LEU 9 -4.265 -0.127 1.201 76 HD23 LEU 9 2HD2 LEU 9 -4.603 -0.743 -0.416 77 H LEU 10 H LEU 10 -1.590 -2.359 3.656 78 HA LEU 10 HA LEU 10 -0.368 -1.767 1.126 79 HB2 LEU 10 2HB LEU 10 0.588 -1.400 3.960 80 HB3 LEU 10 1HB LEU 10 1.476 -0.856 2.550 81 HG LEU 10 HG LEU 10 -1.319 0.078 3.181 82 HD11 LEU 10 1HD1 LEU 10 1.315 1.361 3.893 83 HD12 LEU 10 2HD1 LEU 10 0.117 0.724 5.020 84 HD13 LEU 10 3HD1 LEU 10 -0.265 2.132 4.031 85 HD21 LEU 10 3HD2 LEU 10 -0.611 0.311 0.853 86 HD22 LEU 10 1HD2 LEU 10 0.832 1.178 1.376 87 HD23 LEU 10 2HD2 LEU 10 -0.762 1.883 1.638 88 H LEU 11 H LEU 11 0.795 -3.613 3.953 89 HA LEU 11 HA LEU 11 3.054 -4.692 2.766 90 HB2 LEU 11 2HB LEU 11 3.055 -6.322 4.551 91 HB3 LEU 11 1HB LEU 11 2.622 -4.741 5.166 92 HG LEU 11 HG LEU 11 0.158 -5.660 4.809 93 HD11 LEU 11 1HD1 LEU 11 0.753 -7.777 3.835 94 HD12 LEU 11 2HD1 LEU 11 0.067 -8.053 5.436 95 HD13 LEU 11 3HD1 LEU 11 1.812 -8.149 5.196 96 HD21 LEU 11 3HD2 LEU 11 0.169 -6.356 7.153 97 HD22 LEU 11 1HD2 LEU 11 1.088 -4.871 6.911 98 HD23 LEU 11 2HD2 LEU 11 1.933 -6.403 7.130 99 H THR 12 H THR 12 -0.263 -5.635 2.354 100 HA THR 12 HA THR 12 0.171 -8.293 1.495 101 HB THR 12 HB THR 12 -2.071 -7.894 0.248 102 HG1 THR 12 1HG THR 12 -1.518 -5.419 0.979 103 HG21 THR 12 3HG2 THR 12 -3.317 -8.072 2.374 104 HG22 THR 12 1HG2 THR 12 -1.848 -7.638 3.248 105 HG23 THR 12 2HG2 THR 12 -1.914 -9.138 2.323 106 H GLY 13 H GLY 13 1.261 -5.512 0.111 107 HA2 GLY 13 2HA GLY 13 1.254 -6.739 -2.575 108 HA3 GLY 13 1HA GLY 13 1.128 -5.006 -2.333 109 H LEU 14 H LEU 14 3.102 -5.014 -0.146 110 HA LEU 14 HA LEU 14 5.443 -4.687 -1.748 111 HB2 LEU 14 2HB LEU 14 4.910 -4.509 1.207 112 HB3 LEU 14 1HB LEU 14 6.533 -4.362 0.563 113 HG LEU 14 HG LEU 14 5.647 -2.166 0.963 114 HD11 LEU 14 1HD1 LEU 14 5.666 -2.786 -1.987 115 HD12 LEU 14 2HD1 LEU 14 7.066 -2.396 -0.989 116 HD13 LEU 14 3HD1 LEU 14 5.820 -1.181 -1.273 117 HD21 LEU 14 3HD2 LEU 14 3.637 -1.346 -0.170 118 HD22 LEU 14 1HD2 LEU 14 3.275 -2.694 0.908 119 HD23 LEU 14 2HD2 LEU 14 3.358 -2.955 -0.834 120 H ASP 15 H ASP 15 4.601 -6.922 0.890 121 HA ASP 15 HA ASP 15 6.985 -8.484 0.507 122 HB2 ASP 15 2HB ASP 15 5.852 -8.171 2.723 123 HB3 ASP 15 1HB ASP 15 4.529 -9.172 2.133 124 H HIS 16 H HIS 16 4.438 -8.197 -1.414 125 HA HIS 16 HA HIS 16 4.282 -11.068 -2.053 126 HB2 HIS 16 2HB HIS 16 2.320 -8.820 -2.401 127 HB3 HIS 16 1HB HIS 16 2.201 -10.274 -3.385 128 HD1 HIS 16 1HD HIS 16 2.151 -9.260 0.284 129 HD2 HIS 16 2HD HIS 16 0.926 -12.343 -2.216 130 HE1 HIS 16 1HE HIS 16 0.756 -10.817 1.708 131 H ILE 17 H ILE 17 6.113 -8.656 -2.913 132 HA ILE 17 HA ILE 17 6.137 -9.441 -5.740 133 HB ILE 17 HB ILE 17 6.661 -7.136 -6.418 134 HG12 ILE 17 2HG1 ILE 17 5.939 -6.409 -3.568 135 HG13 ILE 17 1HG1 ILE 17 7.567 -6.371 -4.238 136 HG21 ILE 17 1HG2 ILE 17 4.062 -7.348 -4.902 137 HG22 ILE 17 2HG2 ILE 17 4.358 -8.003 -6.512 138 HG23 ILE 17 3HG2 ILE 17 4.407 -6.260 -6.247 139 HD11 ILE 17 3HD1 ILE 17 6.546 -4.152 -4.135 140 HD12 ILE 17 1HD1 ILE 17 5.252 -4.704 -5.198 141 HD13 ILE 17 2HD1 ILE 17 6.911 -4.633 -5.792 142 H THR 18 H THR 18 8.253 -8.270 -6.733 143 HA THR 18 HA THR 18 10.447 -9.451 -5.245 144 HB THR 18 HB THR 18 10.586 -8.076 -7.931 145 HG1 THR 18 1HG THR 18 10.209 -10.856 -7.439 146 HG21 THR 18 3HG2 THR 18 12.334 -10.160 -6.615 147 HG22 THR 18 1HG2 THR 18 12.749 -8.466 -6.878 148 HG23 THR 18 2HG2 THR 18 12.536 -9.547 -8.256 149 H GLU 19 H GLU 19 12.482 -8.313 -4.931 150 HA GLU 19 HA GLU 19 12.198 -5.895 -3.574 151 HB2 GLU 19 2HB GLU 19 14.684 -5.795 -3.631 152 HB3 GLU 19 1HB GLU 19 14.057 -7.349 -3.103 153 HG2 GLU 19 2HG GLU 19 14.461 -8.269 -5.330 154 HG3 GLU 19 1HG GLU 19 15.096 -6.710 -5.854 155 H GLU 20 H GLU 20 13.278 -6.532 -6.887 156 HA GLU 20 HA GLU 20 14.009 -3.898 -7.537 157 HB2 GLU 20 2HB GLU 20 13.790 -4.610 -9.882 158 HB3 GLU 20 1HB GLU 20 14.671 -5.789 -8.920 159 HG2 GLU 20 2HG GLU 20 12.701 -7.192 -8.788 160 HG3 GLU 20 1HG GLU 20 11.767 -5.993 -9.682 161 H GLU 21 H GLU 21 10.922 -5.488 -7.375 162 HA GLU 21 HA GLU 21 9.500 -3.484 -8.856 163 HB2 GLU 21 2HB GLU 21 8.510 -5.666 -7.014 164 HB3 GLU 21 1HB GLU 21 7.479 -4.656 -8.018 165 HG2 GLU 21 2HG GLU 21 8.558 -5.535 -10.020 166 HG3 GLU 21 1HG GLU 21 9.605 -6.537 -9.017 167 H LEU 22 H LEU 22 10.407 -3.985 -5.537 168 HA LEU 22 HA LEU 22 8.543 -2.368 -4.234 169 HB2 LEU 22 2HB LEU 22 11.448 -2.843 -3.566 170 HB3 LEU 22 1HB LEU 22 10.288 -2.098 -2.485 171 HG LEU 22 HG LEU 22 10.094 -4.924 -3.532 172 HD11 LEU 22 1HD1 LEU 22 11.989 -4.650 -2.022 173 HD12 LEU 22 2HD1 LEU 22 10.704 -5.589 -1.261 174 HD13 LEU 22 3HD1 LEU 22 10.936 -3.896 -0.824 175 HD21 LEU 22 3HD2 LEU 22 8.332 -5.180 -1.874 176 HD22 LEU 22 1HD2 LEU 22 7.925 -3.900 -3.019 177 HD23 LEU 22 2HD2 LEU 22 8.508 -3.488 -1.406 178 H LYS 23 H LYS 23 11.731 -1.493 -5.565 179 HA LYS 23 HA LYS 23 11.587 1.233 -4.852 180 HB2 LYS 23 2HB LYS 23 13.415 1.533 -6.518 181 HB3 LYS 23 1HB LYS 23 13.720 0.256 -5.350 182 HG2 LYS 23 2HG LYS 23 13.028 -1.410 -7.015 183 HG3 LYS 23 1HG LYS 23 12.783 -0.114 -8.186 184 HD2 LYS 23 2HD LYS 23 14.911 -0.919 -8.698 185 HD3 LYS 23 1HD LYS 23 15.236 0.502 -7.704 186 HE2 LYS 23 2HE LYS 23 15.108 -2.301 -6.607 187 HE3 LYS 23 1HE LYS 23 16.601 -1.547 -7.163 188 HZ1 LYS 23 3HZ LYS 23 16.473 -1.245 -4.833 189 HZ2 LYS 23 1HZ LYS 23 14.879 -0.683 -4.908 190 HZ3 LYS 23 2HZ LYS 23 16.138 0.261 -5.527 191 H ARG 24 H ARG 24 10.386 -0.556 -7.597 192 HA ARG 24 HA ARG 24 9.931 1.621 -9.334 193 HB2 ARG 24 2HB ARG 24 8.575 -1.070 -9.125 194 HB3 ARG 24 1HB ARG 24 8.262 0.080 -10.416 195 HG2 ARG 24 2HG ARG 24 10.581 -0.051 -11.124 196 HG3 ARG 24 1HG ARG 24 10.935 -1.163 -9.800 197 HD2 ARG 24 2HD ARG 24 9.418 -2.803 -10.726 198 HD3 ARG 24 1HD ARG 24 8.942 -1.683 -12.003 199 HE ARG 24 HE ARG 24 11.710 -2.023 -12.141 200 HH11 ARG 24 1HH1 ARG 24 8.801 -3.890 -12.583 201 HH12 ARG 24 2HH1 ARG 24 9.508 -4.954 -13.753 202 HH21 ARG 24 1HH2 ARG 24 12.648 -3.420 -13.684 203 HH22 ARG 24 2HH2 ARG 24 11.693 -4.688 -14.377 204 H PHE 25 H PHE 25 7.889 0.055 -6.900 205 HA PHE 25 HA PHE 25 5.572 1.600 -7.411 206 HB2 PHE 25 2HB PHE 25 5.438 -0.536 -6.253 207 HB3 PHE 25 1HB PHE 25 6.423 0.086 -4.935 208 HD1 PHE 25 1HD PHE 25 3.165 0.497 -6.649 209 HD2 PHE 25 2HD PHE 25 5.444 1.187 -3.123 210 HE1 PHE 25 1HE PHE 25 1.125 1.220 -5.478 211 HE2 PHE 25 2HE PHE 25 3.409 1.911 -1.945 212 HZ PHE 25 HZ PHE 25 1.246 1.927 -3.122 213 H LYS 26 H LYS 26 8.347 2.033 -5.300 214 HA LYS 26 HA LYS 26 7.287 4.206 -3.807 215 HB2 LYS 26 2HB LYS 26 10.159 3.427 -4.335 216 HB3 LYS 26 1HB LYS 26 9.636 4.598 -3.135 217 HG2 LYS 26 2HG LYS 26 8.863 1.690 -3.140 218 HG3 LYS 26 1HG LYS 26 10.176 2.386 -2.191 219 HD2 LYS 26 2HD LYS 26 8.455 3.930 -1.176 220 HD3 LYS 26 1HD LYS 26 7.227 2.927 -1.952 221 HE2 LYS 26 2HE LYS 26 9.311 1.951 -0.003 222 HE3 LYS 26 1HE LYS 26 7.623 2.273 0.385 223 HZ1 LYS 26 3HZ LYS 26 8.597 0.244 -1.553 224 HZ2 LYS 26 1HZ LYS 26 6.974 0.556 -1.191 225 HZ3 LYS 26 2HZ LYS 26 7.999 -0.076 -0.004 226 H TYR 27 H TYR 27 9.245 3.969 -6.727 227 HA TYR 27 HA TYR 27 9.804 6.732 -6.974 228 HB2 TYR 27 2HB TYR 27 11.090 4.924 -8.096 229 HB3 TYR 27 1HB TYR 27 9.709 4.633 -9.148 230 HD1 TYR 27 2HD TYR 27 12.420 6.976 -8.325 231 HD2 TYR 27 1HD TYR 27 9.207 6.113 -10.978 232 HE1 TYR 27 2HE TYR 27 13.268 8.670 -9.893 233 HE2 TYR 27 1HE TYR 27 10.048 7.804 -12.555 234 HH TYR 27 HH TYR 27 13.129 9.172 -12.315 235 H PHE 28 H PHE 28 7.089 4.758 -7.941 236 HA PHE 28 HA PHE 28 6.025 6.719 -9.756 237 HB2 PHE 28 2HB PHE 28 5.675 4.132 -9.740 238 HB3 PHE 28 1HB PHE 28 4.390 4.495 -8.593 239 HD1 PHE 28 1HD PHE 28 2.420 5.741 -9.287 240 HD2 PHE 28 2HD PHE 28 5.495 4.739 -12.052 241 HE1 PHE 28 1HE PHE 28 0.904 6.263 -11.152 242 HE2 PHE 28 2HE PHE 28 3.983 5.259 -13.925 243 HZ PHE 28 HZ PHE 28 1.685 6.023 -13.476 244 H ALA 29 H ALA 29 4.932 5.450 -6.598 245 HA ALA 29 HA ALA 29 2.918 7.446 -6.301 246 HB1 ALA 29 1HB ALA 29 2.623 6.562 -4.063 247 HB2 ALA 29 2HB ALA 29 4.143 5.678 -4.187 248 HB3 ALA 29 3HB ALA 29 2.783 5.238 -5.219 249 H LEU 30 H LEU 30 6.075 6.954 -4.729 250 HA LEU 30 HA LEU 30 5.939 9.664 -3.637 251 HB2 LEU 30 2HB LEU 30 8.081 7.599 -3.170 252 HB3 LEU 30 1HB LEU 30 7.739 9.025 -2.208 253 HG LEU 30 HG LEU 30 5.665 6.883 -2.479 254 HD11 LEU 30 1HD1 LEU 30 7.886 6.875 -0.446 255 HD12 LEU 30 2HD1 LEU 30 7.784 5.782 -1.827 256 HD13 LEU 30 3HD1 LEU 30 6.553 5.728 -0.565 257 HD21 LEU 30 3HD2 LEU 30 5.011 7.709 -0.276 258 HD22 LEU 30 1HD2 LEU 30 5.043 9.012 -1.464 259 HD23 LEU 30 2HD2 LEU 30 6.357 8.848 -0.298 260 H THR 31 H THR 31 6.331 10.906 -5.482 261 HA THR 31 HA THR 31 8.794 10.454 -6.973 262 HB THR 31 HB THR 31 8.025 12.248 -8.451 263 HG1 THR 31 1HG THR 31 6.563 13.614 -7.773 264 HG21 THR 31 3HG2 THR 31 5.996 11.153 -9.308 265 HG22 THR 31 1HG2 THR 31 5.867 10.235 -7.808 266 HG23 THR 31 2HG2 THR 31 7.241 9.978 -8.884 267 H GLU 32 H GLU 32 7.266 13.063 -5.101 268 HA GLU 32 HA GLU 32 9.802 14.510 -5.030 269 HB2 GLU 32 2HB GLU 32 7.712 15.721 -5.589 270 HB3 GLU 32 1HB GLU 32 7.081 15.329 -3.997 271 HG2 GLU 32 2HG GLU 32 8.891 16.607 -2.966 272 HG3 GLU 32 1HG GLU 32 9.517 17.004 -4.564 273 H PHE 33 H PHE 33 8.104 12.285 -3.153 274 HA PHE 33 HA PHE 33 8.866 13.298 -0.574 275 HB2 PHE 33 2HB PHE 33 7.792 10.606 -1.428 276 HB3 PHE 33 1HB PHE 33 8.064 11.078 0.245 277 HD1 PHE 33 2HD PHE 33 6.832 13.168 1.083 278 HD2 PHE 33 1HD PHE 33 5.768 11.066 -2.461 279 HE1 PHE 33 2HE PHE 33 4.589 14.172 1.165 280 HE2 PHE 33 1HE PHE 33 3.522 12.068 -2.386 281 HZ PHE 33 HZ PHE 33 2.930 13.623 -0.570 282 H GLN 34 H GLN 34 10.323 11.301 -2.987 283 HA GLN 34 HA GLN 34 12.212 10.002 -3.019 284 HB2 GLN 34 2HB GLN 34 13.057 12.338 -3.031 285 HB3 GLN 34 1HB GLN 34 13.213 12.264 -1.282 286 HG2 GLN 34 2HG GLN 34 15.354 11.919 -2.364 287 HG3 GLN 34 1HG GLN 34 14.850 10.474 -1.490 288 HE21 GLN 34 1HE2 GLN 34 13.496 11.432 -4.562 289 HE22 GLN 34 2HE2 GLN 34 14.177 10.141 -5.486 290 H ILE 35 H ILE 35 10.939 8.466 -1.587 291 HA ILE 35 HA ILE 35 11.611 8.322 1.182 292 HB ILE 35 HB ILE 35 9.533 7.371 -0.001 293 HG12 ILE 35 2HG1 ILE 35 10.857 5.428 1.878 294 HG13 ILE 35 1HG1 ILE 35 10.342 7.021 2.424 295 HG21 ILE 35 1HG2 ILE 35 11.418 5.058 -0.432 296 HG22 ILE 35 2HG2 ILE 35 10.728 6.077 -1.696 297 HG23 ILE 35 3HG2 ILE 35 9.678 5.052 -0.718 298 HD11 ILE 35 3HD1 ILE 35 8.047 6.508 1.777 299 HD12 ILE 35 1HD1 ILE 35 8.675 5.323 2.924 300 HD13 ILE 35 2HD1 ILE 35 8.562 4.918 1.212 301 H ALA 36 H ALA 36 12.948 6.828 2.240 302 HA ALA 36 HA ALA 36 15.434 6.332 1.032 303 HB1 ALA 36 1HB ALA 36 14.266 5.079 3.513 304 HB2 ALA 36 2HB ALA 36 15.156 6.599 3.442 305 HB3 ALA 36 3HB ALA 36 15.970 5.082 3.060 306 H ARG 37 H ARG 37 16.072 4.793 -0.312 307 HA ARG 37 HA ARG 37 14.366 2.708 -1.172 308 HB2 ARG 37 2HB ARG 37 16.315 1.932 -2.471 309 HB3 ARG 37 1HB ARG 37 16.031 3.656 -2.662 310 HG2 ARG 37 2HG ARG 37 17.839 4.172 -1.162 311 HG3 ARG 37 1HG ARG 37 18.071 2.461 -0.799 312 HD2 ARG 37 2HD ARG 37 18.697 2.035 -3.109 313 HD3 ARG 37 1HD ARG 37 18.405 3.726 -3.517 314 HE ARG 37 HE ARG 37 20.258 3.716 -1.463 315 HH11 ARG 37 1HH1 ARG 37 20.051 2.539 -4.738 316 HH12 ARG 37 2HH1 ARG 37 21.754 2.674 -5.026 317 HH21 ARG 37 1HH2 ARG 37 22.498 3.897 -1.838 318 HH22 ARG 37 2HH2 ARG 37 23.143 3.442 -3.380 319 H SER 38 H SER 38 16.804 2.905 1.298 320 HA SER 38 HA SER 38 17.247 0.098 1.556 321 HB2 SER 38 2HB SER 38 18.378 0.704 3.674 322 HB3 SER 38 1HB SER 38 18.923 1.695 2.321 323 HG SER 38 HG SER 38 17.465 2.400 4.573 324 H THR 39 H THR 39 15.151 2.425 3.200 325 HA THR 39 HA THR 39 14.238 0.787 5.269 326 HB THR 39 HB THR 39 12.255 2.268 5.363 327 HG1 THR 39 1HG THR 39 11.966 3.832 3.813 328 HG21 THR 39 3HG2 THR 39 14.302 2.956 6.476 329 HG22 THR 39 1HG2 THR 39 13.494 4.362 5.782 330 HG23 THR 39 2HG2 THR 39 14.902 3.670 4.979 331 H LEU 40 H LEU 40 13.607 0.597 1.918 332 HA LEU 40 HA LEU 40 11.046 -0.350 1.694 333 HB2 LEU 40 2HB LEU 40 13.567 -0.863 0.217 334 HB3 LEU 40 1HB LEU 40 12.221 -1.941 -0.100 335 HG LEU 40 HG LEU 40 10.839 -0.090 -0.821 336 HD11 LEU 40 1HD1 LEU 40 11.593 1.642 0.666 337 HD12 LEU 40 2HD1 LEU 40 11.787 2.187 -1.000 338 HD13 LEU 40 3HD1 LEU 40 13.189 1.641 -0.083 339 HD21 LEU 40 3HD2 LEU 40 13.577 0.029 -2.078 340 HD22 LEU 40 1HD2 LEU 40 12.074 0.590 -2.812 341 HD23 LEU 40 2HD2 LEU 40 12.305 -1.125 -2.475 342 H ASP 41 H ASP 41 13.678 -1.887 3.294 343 HA ASP 41 HA ASP 41 12.981 -4.578 3.102 344 HB2 ASP 41 2HB ASP 41 15.086 -3.739 4.108 345 HB3 ASP 41 1HB ASP 41 14.173 -3.161 5.497 346 H VAL 42 H VAL 42 12.186 -2.361 5.787 347 HA VAL 42 HA VAL 42 9.901 -4.095 6.456 348 HB VAL 42 HB VAL 42 9.898 -2.862 8.633 349 HG11 VAL 42 1HG1 VAL 42 12.470 -4.283 7.945 350 HG12 VAL 42 2HG1 VAL 42 10.955 -5.059 8.410 351 HG13 VAL 42 3HG1 VAL 42 11.819 -4.045 9.567 352 HG21 VAL 42 3HG2 VAL 42 11.903 -1.587 9.243 353 HG22 VAL 42 1HG2 VAL 42 11.018 -0.839 7.914 354 HG23 VAL 42 2HG2 VAL 42 12.493 -1.746 7.589 355 H ALA 43 H ALA 43 10.331 -1.632 4.530 356 HA ALA 43 HA ALA 43 8.749 0.462 5.418 357 HB1 ALA 43 1HB ALA 43 8.472 1.091 3.078 358 HB2 ALA 43 2HB ALA 43 9.129 -0.474 2.591 359 HB3 ALA 43 3HB ALA 43 10.145 0.677 3.459 360 H ASP 44 H ASP 44 7.788 -2.620 4.173 361 HA ASP 44 HA ASP 44 5.236 -1.970 3.266 362 HB2 ASP 44 2HB ASP 44 4.678 -4.356 3.712 363 HB3 ASP 44 1HB ASP 44 6.180 -4.139 2.819 364 H ARG 45 H ARG 45 6.148 -3.144 6.542 365 HA ARG 45 HA ARG 45 3.459 -2.649 7.447 366 HB2 ARG 45 2HB ARG 45 4.399 -3.349 9.690 367 HB3 ARG 45 1HB ARG 45 4.429 -4.543 8.403 368 HG2 ARG 45 2HG ARG 45 6.820 -3.941 8.006 369 HG3 ARG 45 1HG ARG 45 6.741 -2.926 9.447 370 HD2 ARG 45 2HD ARG 45 6.174 -5.884 9.371 371 HD3 ARG 45 1HD ARG 45 7.685 -5.152 9.908 372 HE ARG 45 HE ARG 45 5.560 -4.045 11.372 373 HH11 ARG 45 1HH1 ARG 45 7.276 -7.055 11.004 374 HH12 ARG 45 2HH1 ARG 45 6.985 -7.569 12.632 375 HH21 ARG 45 1HH2 ARG 45 5.167 -4.717 13.517 376 HH22 ARG 45 2HH2 ARG 45 5.785 -6.241 14.060 377 H THR 46 H THR 46 6.595 -1.367 8.596 378 HA THR 46 HA THR 46 5.250 0.643 10.155 379 HB THR 46 HB THR 46 7.528 1.284 10.886 380 HG1 THR 46 1HG THR 46 9.014 0.705 9.472 381 HG21 THR 46 3HG2 THR 46 7.945 -0.794 12.130 382 HG22 THR 46 1HG2 THR 46 6.836 -1.651 11.058 383 HG23 THR 46 2HG2 THR 46 6.231 -0.377 12.116 384 H GLU 47 H GLU 47 7.742 0.898 7.590 385 HA GLU 47 HA GLU 47 7.811 3.714 7.684 386 HB2 GLU 47 2HB GLU 47 9.289 1.704 6.493 387 HB3 GLU 47 1HB GLU 47 8.645 2.622 5.135 388 HG2 GLU 47 2HG GLU 47 10.823 3.456 5.801 389 HG3 GLU 47 1HG GLU 47 9.573 4.673 6.054 390 H LEU 48 H LEU 48 6.495 1.720 5.008 391 HA LEU 48 HA LEU 48 5.493 3.845 3.539 392 HB2 LEU 48 2HB LEU 48 4.903 0.947 3.647 393 HB3 LEU 48 1HB LEU 48 3.706 1.964 2.874 394 HG LEU 48 HG LEU 48 6.618 1.860 2.084 395 HD11 LEU 48 1HD1 LEU 48 5.801 0.643 0.107 396 HD12 LEU 48 2HD1 LEU 48 4.195 0.574 0.834 397 HD13 LEU 48 3HD1 LEU 48 5.549 -0.255 1.603 398 HD21 LEU 48 3HD2 LEU 48 4.224 3.159 0.783 399 HD22 LEU 48 1HD2 LEU 48 5.849 3.083 0.102 400 HD23 LEU 48 2HD2 LEU 48 5.556 3.994 1.582 401 H ALA 49 H ALA 49 3.791 1.861 5.933 402 HA ALA 49 HA ALA 49 1.270 2.967 5.704 403 HB1 ALA 49 1HB ALA 49 0.856 2.206 7.970 404 HB2 ALA 49 2HB ALA 49 2.589 2.055 8.256 405 HB3 ALA 49 3HB ALA 49 1.795 1.009 7.079 406 H ASP 50 H ASP 50 3.793 4.019 8.003 407 HA ASP 50 HA ASP 50 2.299 6.248 8.921 408 HB2 ASP 50 2HB ASP 50 4.059 5.169 10.258 409 HB3 ASP 50 1HB ASP 50 5.270 5.735 9.114 410 H HIS 51 H HIS 51 4.722 5.880 6.394 411 HA HIS 51 HA HIS 51 5.155 8.679 6.043 412 HB2 HIS 51 2HB HIS 51 6.008 6.203 4.629 413 HB3 HIS 51 1HB HIS 51 6.183 7.746 3.804 414 HD1 HIS 51 1HD HIS 51 8.311 8.969 4.290 415 HD2 HIS 51 2HD HIS 51 7.358 6.213 7.249 416 HE1 HIS 51 1HE HIS 51 10.256 8.961 5.906 417 H LEU 52 H LEU 52 3.600 6.305 3.842 418 HA LEU 52 HA LEU 52 2.811 8.262 1.997 419 HB2 LEU 52 2HB LEU 52 1.518 6.576 0.913 420 HB3 LEU 52 1HB LEU 52 3.034 5.884 1.452 421 HG LEU 52 HG LEU 52 1.451 5.226 3.541 422 HD11 LEU 52 1HD1 LEU 52 -0.684 4.429 2.674 423 HD12 LEU 52 2HD1 LEU 52 -0.322 5.151 1.105 424 HD13 LEU 52 3HD1 LEU 52 -0.547 6.181 2.519 425 HD21 LEU 52 3HD2 LEU 52 2.923 3.740 2.284 426 HD22 LEU 52 1HD2 LEU 52 1.756 3.693 0.963 427 HD23 LEU 52 2HD2 LEU 52 1.340 3.005 2.533 428 H ILE 53 H ILE 53 1.077 6.962 4.802 429 HA ILE 53 HA ILE 53 -1.455 7.993 4.147 430 HB ILE 53 HB ILE 53 -0.213 7.398 6.829 431 HG12 ILE 53 2HG1 ILE 53 -0.642 5.374 5.704 432 HG13 ILE 53 1HG1 ILE 53 -2.034 5.592 6.759 433 HG21 ILE 53 1HG2 ILE 53 -2.493 7.598 7.779 434 HG22 ILE 53 2HG2 ILE 53 -3.028 8.299 6.254 435 HG23 ILE 53 3HG2 ILE 53 -1.821 9.134 7.230 436 HD11 ILE 53 3HD1 ILE 53 -2.819 4.820 4.663 437 HD12 ILE 53 1HD1 ILE 53 -1.898 6.045 3.796 438 HD13 ILE 53 2HD1 ILE 53 -3.263 6.520 4.797 439 H GLN 54 H GLN 54 1.290 9.470 5.799 440 HA GLN 54 HA GLN 54 0.025 11.807 6.679 441 HB2 GLN 54 2HB GLN 54 2.889 11.245 5.924 442 HB3 GLN 54 1HB GLN 54 2.367 12.786 6.592 443 HG2 GLN 54 2HG GLN 54 1.645 11.713 8.622 444 HG3 GLN 54 1HG GLN 54 2.008 10.125 7.948 445 HE21 GLN 54 1HE2 GLN 54 3.041 11.417 10.350 446 HE22 GLN 54 2HE2 GLN 54 4.758 11.464 10.169 447 H SER 55 H SER 55 1.120 10.873 3.520 448 HA SER 55 HA SER 55 1.491 13.352 2.315 449 HB2 SER 55 2HB SER 55 0.363 10.838 1.068 450 HB3 SER 55 1HB SER 55 1.037 12.208 0.187 451 HG SER 55 HG SER 55 2.660 10.730 0.380 452 H ALA 56 H ALA 56 -1.507 11.383 2.216 453 HA ALA 56 HA ALA 56 -2.984 13.910 1.853 454 HB1 ALA 56 1HB ALA 56 -3.656 11.256 0.594 455 HB2 ALA 56 2HB ALA 56 -2.912 12.625 -0.231 456 HB3 ALA 56 3HB ALA 56 -4.552 12.762 0.401 457 H GLY 57 H GLY 57 -3.004 10.663 3.220 458 HA2 GLY 57 2HA GLY 57 -4.136 11.080 5.596 459 HA3 GLY 57 1HA GLY 57 -5.549 11.141 4.555 460 H ALA 58 H ALA 58 -5.774 9.279 6.336 461 HA ALA 58 HA ALA 58 -4.521 6.809 5.801 462 HB1 ALA 58 1HB ALA 58 -7.103 7.398 7.230 463 HB2 ALA 58 2HB ALA 58 -5.500 7.260 7.953 464 HB3 ALA 58 3HB ALA 58 -6.267 5.845 7.235 465 H ALA 59 H ALA 59 -7.980 7.553 5.348 466 HA ALA 59 HA ALA 59 -8.472 5.366 3.664 467 HB1 ALA 59 1HB ALA 59 -10.021 7.944 3.859 468 HB2 ALA 59 2HB ALA 59 -10.229 6.535 4.898 469 HB3 ALA 59 3HB ALA 59 -10.606 6.426 3.179 470 H SER 60 H SER 60 -7.737 8.746 2.887 471 HA SER 60 HA SER 60 -8.193 8.650 0.141 472 HB2 SER 60 2HB SER 60 -6.185 10.311 1.673 473 HB3 SER 60 1HB SER 60 -6.676 10.605 0.005 474 HG SER 60 HG SER 60 -8.866 10.765 0.870 475 H ALA 61 H ALA 61 -5.127 8.110 1.884 476 HA ALA 61 HA ALA 61 -3.661 7.539 -0.489 477 HB1 ALA 61 1HB ALA 61 -2.637 8.412 1.578 478 HB2 ALA 61 2HB ALA 61 -1.839 6.963 0.965 479 HB3 ALA 61 3HB ALA 61 -2.929 6.852 2.347 480 H VAL 62 H VAL 62 -5.077 5.471 2.034 481 HA VAL 62 HA VAL 62 -4.076 3.026 1.132 482 HB VAL 62 HB VAL 62 -6.637 3.645 2.605 483 HG11 VAL 62 1HG1 VAL 62 -5.351 0.967 2.075 484 HG12 VAL 62 2HG1 VAL 62 -6.927 1.513 1.499 485 HG13 VAL 62 3HG1 VAL 62 -6.660 1.250 3.223 486 HG21 VAL 62 3HG2 VAL 62 -5.426 2.958 4.564 487 HG22 VAL 62 1HG2 VAL 62 -4.489 4.194 3.725 488 HG23 VAL 62 2HG2 VAL 62 -4.030 2.497 3.591 489 H THR 63 H THR 63 -6.817 4.908 -0.001 490 HA THR 63 HA THR 63 -7.958 2.802 -1.562 491 HB THR 63 HB THR 63 -9.220 4.687 -2.686 492 HG1 THR 63 1HG THR 63 -9.046 6.710 -1.426 493 HG21 THR 63 3HG2 THR 63 -10.172 3.459 -0.814 494 HG22 THR 63 1HG2 THR 63 -10.592 5.166 -0.695 495 HG23 THR 63 2HG2 THR 63 -9.319 4.498 0.327 496 H LYS 64 H LYS 64 -6.120 5.735 -2.459 497 HA LYS 64 HA LYS 64 -5.936 5.088 -5.196 498 HB2 LYS 64 2HB LYS 64 -4.184 6.810 -5.296 499 HB3 LYS 64 1HB LYS 64 -5.591 7.361 -4.402 500 HG2 LYS 64 2HG LYS 64 -3.920 8.111 -3.045 501 HG3 LYS 64 1HG LYS 64 -4.210 6.525 -2.332 502 HD2 LYS 64 2HD LYS 64 -2.346 5.609 -3.649 503 HD3 LYS 64 1HD LYS 64 -2.051 7.209 -4.328 504 HE2 LYS 64 2HE LYS 64 -1.946 6.558 -1.387 505 HE3 LYS 64 1HE LYS 64 -0.537 6.607 -2.446 506 HZ1 LYS 64 3HZ LYS 64 -0.978 8.928 -2.890 507 HZ2 LYS 64 1HZ LYS 64 -0.834 8.678 -1.223 508 HZ3 LYS 64 2HZ LYS 64 -2.361 8.891 -1.917 509 H ALA 65 H ALA 65 -4.176 4.002 -2.440 510 HA ALA 65 HA ALA 65 -1.739 3.263 -3.575 511 HB1 ALA 65 1HB ALA 65 -1.522 1.702 -1.718 512 HB2 ALA 65 2HB ALA 65 -3.243 1.864 -1.367 513 HB3 ALA 65 3HB ALA 65 -2.167 3.248 -1.166 514 H ILE 66 H ILE 66 -4.872 1.727 -3.706 515 HA ILE 66 HA ILE 66 -3.944 -0.783 -4.706 516 HB ILE 66 HB ILE 66 -6.698 0.451 -4.835 517 HG12 ILE 66 2HG1 ILE 66 -5.821 0.101 -2.538 518 HG13 ILE 66 1HG1 ILE 66 -7.212 -0.917 -2.896 519 HG21 ILE 66 1HG2 ILE 66 -5.800 -2.383 -5.334 520 HG22 ILE 66 2HG2 ILE 66 -6.468 -1.263 -6.521 521 HG23 ILE 66 3HG2 ILE 66 -7.479 -1.860 -5.207 522 HD11 ILE 66 3HD1 ILE 66 -4.339 -1.815 -2.970 523 HD12 ILE 66 1HD1 ILE 66 -5.762 -2.824 -3.233 524 HD13 ILE 66 2HD1 ILE 66 -5.473 -2.104 -1.650 525 H ASN 67 H ASN 67 -5.258 2.154 -6.190 526 HA ASN 67 HA ASN 67 -5.428 1.149 -8.821 527 HB2 ASN 67 2HB ASN 67 -6.639 3.148 -8.141 528 HB3 ASN 67 1HB ASN 67 -5.125 3.994 -7.842 529 HD21 ASN 67 1HD2 ASN 67 -5.647 1.839 -10.543 530 HD22 ASN 67 2HD2 ASN 67 -5.603 3.054 -11.770 531 H ILE 68 H ILE 68 -2.833 2.805 -7.087 532 HA ILE 68 HA ILE 68 -1.161 3.090 -9.389 533 HB ILE 68 HB ILE 68 -0.441 3.227 -6.457 534 HG12 ILE 68 2HG1 ILE 68 -1.032 5.450 -8.426 535 HG13 ILE 68 1HG1 ILE 68 -2.152 4.876 -7.196 536 HG21 ILE 68 1HG2 ILE 68 1.080 4.092 -8.910 537 HG22 ILE 68 2HG2 ILE 68 1.530 2.818 -7.777 538 HG23 ILE 68 3HG2 ILE 68 1.528 4.502 -7.255 539 HD11 ILE 68 3HD1 ILE 68 -0.602 5.579 -5.452 540 HD12 ILE 68 1HD1 ILE 68 -1.047 6.922 -6.505 541 HD13 ILE 68 2HD1 ILE 68 0.527 6.146 -6.683 542 H PHE 69 H PHE 69 -1.190 0.849 -6.630 543 HA PHE 69 HA PHE 69 1.113 -0.589 -7.349 544 HB2 PHE 69 2HB PHE 69 0.075 -0.688 -5.111 545 HB3 PHE 69 1HB PHE 69 -1.290 -1.564 -5.794 546 HD1 PHE 69 2HD PHE 69 2.406 -1.762 -5.426 547 HD2 PHE 69 1HD PHE 69 -1.265 -3.871 -5.845 548 HE1 PHE 69 2HE PHE 69 3.590 -3.887 -5.063 549 HE2 PHE 69 1HE PHE 69 -0.088 -6.000 -5.483 550 HZ PHE 69 HZ PHE 69 2.343 -6.009 -5.091 551 H GLN 70 H GLN 70 -2.313 -1.189 -8.068 552 HA GLN 70 HA GLN 70 -1.969 -3.660 -9.335 553 HB2 GLN 70 2HB GLN 70 -4.193 -3.370 -10.212 554 HB3 GLN 70 1HB GLN 70 -4.145 -2.763 -8.568 555 HG2 GLN 70 2HG GLN 70 -4.041 -0.478 -9.408 556 HG3 GLN 70 1HG GLN 70 -4.064 -1.084 -11.063 557 HE21 GLN 70 1HE2 GLN 70 -5.910 -0.623 -8.154 558 HE22 GLN 70 2HE2 GLN 70 -7.466 -0.881 -8.858 559 H LYS 71 H LYS 71 -2.319 -0.450 -10.821 560 HA LYS 71 HA LYS 71 -1.923 -1.346 -13.463 561 HB2 LYS 71 2HB LYS 71 -1.618 1.400 -12.252 562 HB3 LYS 71 1HB LYS 71 -1.623 1.067 -13.976 563 HG2 LYS 71 2HG LYS 71 -3.895 0.536 -12.071 564 HG3 LYS 71 1HG LYS 71 -3.789 1.875 -13.214 565 HD2 LYS 71 2HD LYS 71 -3.832 -1.053 -13.952 566 HD3 LYS 71 1HD LYS 71 -5.213 0.041 -14.041 567 HE2 LYS 71 2HE LYS 71 -2.632 0.303 -15.581 568 HE3 LYS 71 1HE LYS 71 -4.174 -0.252 -16.230 569 HZ1 LYS 71 3HZ LYS 71 -3.770 2.074 -16.751 570 HZ2 LYS 71 1HZ LYS 71 -3.650 2.447 -15.105 571 HZ3 LYS 71 2HZ LYS 71 -5.121 1.915 -15.747 572 H LEU 72 H LEU 72 0.348 -1.155 -10.986 573 HA LEU 72 HA LEU 72 2.505 -0.419 -12.844 574 HB2 LEU 72 2HB LEU 72 2.007 -0.105 -10.014 575 HB3 LEU 72 1HB LEU 72 3.594 -0.775 -10.327 576 HG LEU 72 HG LEU 72 3.633 1.663 -10.113 577 HD11 LEU 72 1HD1 LEU 72 4.917 2.144 -12.132 578 HD12 LEU 72 2HD1 LEU 72 4.263 0.695 -12.896 579 HD13 LEU 72 3HD1 LEU 72 5.312 0.551 -11.486 580 HD21 LEU 72 3HD2 LEU 72 1.923 1.662 -12.597 581 HD22 LEU 72 1HD2 LEU 72 2.631 3.081 -11.825 582 HD23 LEU 72 2HD2 LEU 72 1.398 2.142 -10.983 583 H ASN 73 H ASN 73 1.674 -3.036 -10.536 584 HA ASN 73 HA ASN 73 3.805 -4.591 -11.853 585 HB2 ASN 73 2HB ASN 73 3.050 -4.663 -8.936 586 HB3 ASN 73 1HB ASN 73 4.239 -5.711 -9.703 587 HD21 ASN 73 1HD2 ASN 73 6.189 -4.832 -10.421 588 HD22 ASN 73 2HD2 ASN 73 6.767 -3.309 -9.843 589 H TYR 74 H TYR 74 0.836 -5.025 -9.926 590 HA TYR 74 HA TYR 74 0.277 -7.413 -11.539 591 HB2 TYR 74 2HB TYR 74 0.396 -7.350 -8.533 592 HB3 TYR 74 1HB TYR 74 -0.422 -8.622 -9.434 593 HD1 TYR 74 2HD TYR 74 0.914 -10.080 -10.976 594 HD2 TYR 74 1HD TYR 74 2.750 -7.348 -8.279 595 HE1 TYR 74 2HE TYR 74 3.042 -11.288 -11.211 596 HE2 TYR 74 1HE TYR 74 4.883 -8.548 -8.507 597 HH TYR 74 HH TYR 74 5.422 -10.898 -10.926 598 H MET 75 H MET 75 -1.196 -5.502 -12.306 599 HA MET 75 HA MET 75 -3.363 -4.620 -10.850 600 HB2 MET 75 2HB MET 75 -4.521 -4.318 -13.018 601 HB3 MET 75 1HB MET 75 -2.874 -3.705 -13.029 602 HG2 MET 75 2HG MET 75 -3.007 -4.785 -15.051 603 HG3 MET 75 1HG MET 75 -2.279 -6.017 -14.023 604 HE1 MET 75 3HE MET 75 -5.453 -4.825 -15.933 605 HE2 MET 75 1HE MET 75 -6.038 -4.790 -14.269 606 HE3 MET 75 2HE MET 75 -6.679 -5.977 -15.405 607 H HIS 76 H HIS 76 -2.693 -7.799 -11.764 608 HA HIS 76 HA HIS 76 -5.419 -8.719 -11.888 609 HB2 HIS 76 2HB HIS 76 -2.842 -10.283 -11.667 610 HB3 HIS 76 1HB HIS 76 -4.425 -10.958 -12.037 611 HD1 HIS 76 1HD HIS 76 -1.590 -9.080 -13.586 612 HD2 HIS 76 2HD HIS 76 -5.366 -10.465 -14.623 613 HE1 HIS 76 1HE HIS 76 -1.743 -8.905 -16.105 614 H ILE 77 H ILE 77 -2.740 -9.054 -9.551 615 HA ILE 77 HA ILE 77 -4.273 -10.535 -7.670 616 HB ILE 77 HB ILE 77 -1.718 -10.439 -7.861 617 HG12 ILE 77 2HG1 ILE 77 -2.933 -10.143 -5.107 618 HG13 ILE 77 1HG1 ILE 77 -3.018 -11.609 -6.078 619 HG21 ILE 77 1HG2 ILE 77 -0.555 -8.790 -6.564 620 HG22 ILE 77 2HG2 ILE 77 -2.072 -8.074 -6.024 621 HG23 ILE 77 3HG2 ILE 77 -1.594 -7.954 -7.718 622 HD11 ILE 77 3HD1 ILE 77 -1.273 -11.764 -4.403 623 HD12 ILE 77 1HD1 ILE 77 -0.504 -10.314 -5.048 624 HD13 ILE 77 2HD1 ILE 77 -0.584 -11.781 -6.026 625 H ALA 78 H ALA 78 -3.575 -7.095 -8.034 626 HA ALA 78 HA ALA 78 -4.441 -6.211 -5.533 627 HB1 ALA 78 1HB ALA 78 -4.775 -4.029 -6.601 628 HB2 ALA 78 2HB ALA 78 -4.615 -4.788 -8.185 629 HB3 ALA 78 3HB ALA 78 -3.245 -4.767 -7.074 630 H ASN 79 H ASN 79 -6.258 -7.159 -8.363 631 HA ASN 79 HA ASN 79 -8.722 -5.998 -7.849 632 HB2 ASN 79 2HB ASN 79 -8.053 -7.341 -9.885 633 HB3 ASN 79 1HB ASN 79 -8.341 -8.794 -8.933 634 HD21 ASN 79 1HD2 ASN 79 -9.653 -7.868 -11.355 635 HD22 ASN 79 2HD2 ASN 79 -11.334 -7.739 -10.976 636 H ALA 80 H ALA 80 -7.228 -8.820 -6.396 637 HA ALA 80 HA ALA 80 -9.562 -9.742 -5.046 638 HB1 ALA 80 1HB ALA 80 -7.706 -11.237 -5.525 639 HB2 ALA 80 2HB ALA 80 -8.016 -11.170 -3.790 640 HB3 ALA 80 3HB ALA 80 -6.651 -10.290 -4.476 641 H LEU 81 H LEU 81 -6.940 -7.549 -4.217 642 HA LEU 81 HA LEU 81 -7.600 -7.340 -1.453 643 HB2 LEU 81 2HB LEU 81 -5.923 -5.644 -3.286 644 HB3 LEU 81 1HB LEU 81 -6.146 -5.261 -1.590 645 HG LEU 81 HG LEU 81 -5.224 -7.585 -1.092 646 HD11 LEU 81 1HD1 LEU 81 -3.790 -8.556 -2.825 647 HD12 LEU 81 2HD1 LEU 81 -4.375 -7.353 -3.975 648 HD13 LEU 81 3HD1 LEU 81 -5.487 -8.547 -3.305 649 HD21 LEU 81 3HD2 LEU 81 -3.948 -5.559 -0.706 650 HD22 LEU 81 1HD2 LEU 81 -3.450 -5.526 -2.398 651 HD23 LEU 81 2HD2 LEU 81 -2.902 -6.829 -1.341 652 H GLU 82 H GLU 82 -8.263 -5.272 -4.274 653 HA GLU 82 HA GLU 82 -9.538 -3.196 -2.923 654 HB2 GLU 82 2HB GLU 82 -10.527 -2.588 -5.052 655 HB3 GLU 82 1HB GLU 82 -8.857 -3.086 -5.293 656 HG2 GLU 82 2HG GLU 82 -9.580 -5.240 -6.109 657 HG3 GLU 82 1HG GLU 82 -11.262 -4.826 -5.784 658 H GLU 83 H GLU 83 -10.653 -6.377 -3.736 659 HA GLU 83 HA GLU 83 -13.438 -5.912 -3.541 660 HB2 GLU 83 2HB GLU 83 -12.476 -7.922 -4.598 661 HB3 GLU 83 1HB GLU 83 -11.886 -8.459 -3.032 662 HG2 GLU 83 2HG GLU 83 -14.193 -8.609 -2.224 663 HG3 GLU 83 1HG GLU 83 -14.772 -8.101 -3.810 664 H LYS 84 H LYS 84 -10.964 -6.760 -1.184 665 HA LYS 84 HA LYS 84 -12.620 -7.365 0.985 666 HB2 LYS 84 2HB LYS 84 -10.185 -7.815 0.900 667 HB3 LYS 84 1HB LYS 84 -9.879 -6.091 1.055 668 HG2 LYS 84 2HG LYS 84 -9.592 -7.237 3.180 669 HG3 LYS 84 1HG LYS 84 -10.928 -6.088 3.253 670 HD2 LYS 84 2HD LYS 84 -11.586 -8.126 4.356 671 HD3 LYS 84 1HD LYS 84 -12.501 -7.967 2.857 672 HE2 LYS 84 2HE LYS 84 -10.819 -9.466 1.769 673 HE3 LYS 84 1HE LYS 84 -10.111 -9.731 3.362 674 HZ1 LYS 84 3HZ LYS 84 -12.893 -10.390 2.561 675 HZ2 LYS 84 1HZ LYS 84 -12.245 -10.611 4.108 676 HZ3 LYS 84 2HZ LYS 84 -11.638 -11.497 2.802 677 H LYS 85 H LYS 85 -11.650 -4.308 -0.374 678 HA LYS 85 HA LYS 85 -12.064 -2.565 1.725 679 HB2 LYS 85 2HB LYS 85 -12.701 -2.189 -1.204 680 HB3 LYS 85 1HB LYS 85 -12.684 -0.888 -0.024 681 HG2 LYS 85 2HG LYS 85 -10.316 -1.312 0.411 682 HG3 LYS 85 1HG LYS 85 -10.336 -2.614 -0.780 683 HD2 LYS 85 2HD LYS 85 -9.492 -0.826 -1.993 684 HD3 LYS 85 1HD LYS 85 -11.208 -0.796 -2.401 685 HE2 LYS 85 2HE LYS 85 -9.932 0.888 -0.250 686 HE3 LYS 85 1HE LYS 85 -10.250 1.443 -1.893 687 HZ1 LYS 85 3HZ LYS 85 -12.628 0.944 -1.488 688 HZ2 LYS 85 1HZ LYS 85 -12.016 2.164 -0.488 689 HZ3 LYS 85 2HZ LYS 85 -12.257 0.608 0.128 690 H LYS 86 H LYS 86 -14.444 -4.158 -0.313 691 HA LYS 86 HA LYS 86 -16.720 -2.706 0.199 692 HB2 LYS 86 2HB LYS 86 -16.522 -5.722 0.073 693 HB3 LYS 86 1HB LYS 86 -17.981 -4.773 -0.171 694 HG2 LYS 86 2HG LYS 86 -17.124 -3.832 -2.186 695 HG3 LYS 86 1HG LYS 86 -15.530 -4.532 -1.896 696 HD2 LYS 86 2HD LYS 86 -16.464 -5.981 -3.457 697 HD3 LYS 86 1HD LYS 86 -16.773 -6.798 -1.924 698 HE2 LYS 86 2HE LYS 86 -18.751 -5.032 -3.360 699 HE3 LYS 86 1HE LYS 86 -18.720 -6.791 -3.463 700 HZ1 LYS 86 3HZ LYS 86 -19.227 -5.157 -1.038 701 HZ2 LYS 86 1HZ LYS 86 -19.028 -6.838 -1.021 702 HZ3 LYS 86 2HZ LYS 86 -20.332 -6.148 -1.848 703 H GLU 87 H GLU 87 -15.477 -5.419 2.143 704 HA GLU 87 HA GLU 87 -17.432 -5.028 4.211 705 HB2 GLU 87 2HB GLU 87 -16.426 -7.245 3.635 706 HB3 GLU 87 1HB GLU 87 -14.899 -6.676 4.295 707 HG2 GLU 87 2HG GLU 87 -15.975 -8.018 5.939 708 HG3 GLU 87 1HG GLU 87 -16.031 -6.340 6.477 709 H ALA 88 H ALA 88 -14.188 -3.959 3.582 710 HA ALA 88 HA ALA 88 -13.252 -3.313 6.095 711 HB1 ALA 88 1HB ALA 88 -12.840 -1.721 3.570 712 HB2 ALA 88 2HB ALA 88 -11.927 -3.155 4.039 713 HB3 ALA 88 3HB ALA 88 -11.821 -1.685 5.009 714 H GLU 89 H GLU 89 -15.733 -1.712 4.241 715 HA GLU 89 HA GLU 89 -15.723 0.831 5.303 716 HB2 GLU 89 2HB GLU 89 -18.079 0.963 4.748 717 HB3 GLU 89 1HB GLU 89 -17.208 0.107 3.484 718 HG2 GLU 89 2HG GLU 89 -18.013 -2.014 4.329 719 HG3 GLU 89 1HG GLU 89 -18.823 -1.198 5.663 720 H ARG 90 H ARG 90 -17.270 -2.065 6.702 721 HA ARG 90 HA ARG 90 -18.338 -0.633 8.931 722 HB2 ARG 90 2HB ARG 90 -18.908 -2.823 9.842 723 HB3 ARG 90 1HB ARG 90 -19.359 -2.721 8.147 724 HG2 ARG 90 2HG ARG 90 -17.551 -4.091 7.488 725 HG3 ARG 90 1HG ARG 90 -16.798 -3.986 9.079 726 HD2 ARG 90 2HD ARG 90 -19.412 -5.335 8.415 727 HD3 ARG 90 1HD ARG 90 -17.888 -6.140 8.782 728 HE ARG 90 HE ARG 90 -18.520 -4.477 10.930 729 HH11 ARG 90 1HH1 ARG 90 -19.749 -7.335 9.360 730 HH12 ARG 90 2HH1 ARG 90 -20.468 -7.974 10.801 731 HH21 ARG 90 1HH2 ARG 90 -19.464 -5.311 12.832 732 HH22 ARG 90 2HH2 ARG 90 -20.307 -6.823 12.772 733 H LYS 91 H LYS 91 -15.273 -2.005 8.207 734 HA LYS 91 HA LYS 91 -14.439 -2.233 10.967 735 HB2 LYS 91 2HB LYS 91 -12.818 -2.414 8.421 736 HB3 LYS 91 1HB LYS 91 -12.253 -2.838 10.031 737 HG2 LYS 91 2HG LYS 91 -13.976 -4.598 10.142 738 HG3 LYS 91 1HG LYS 91 -14.451 -4.202 8.489 739 HD2 LYS 91 2HD LYS 91 -12.986 -6.098 8.417 740 HD3 LYS 91 1HD LYS 91 -12.115 -4.705 7.772 741 HE2 LYS 91 2HE LYS 91 -10.714 -6.042 9.278 742 HE3 LYS 91 1HE LYS 91 -10.971 -4.410 9.893 743 HZ1 LYS 91 3HZ LYS 91 -11.197 -6.067 11.638 744 HZ2 LYS 91 1HZ LYS 91 -12.439 -6.836 10.781 745 HZ3 LYS 91 2HZ LYS 91 -12.666 -5.270 11.379 746 H LEU 92 H LEU 92 -14.502 0.171 8.528 747 HA LEU 92 HA LEU 92 -12.361 1.768 9.615 748 HB2 LEU 92 2HB LEU 92 -12.875 1.821 7.224 749 HB3 LEU 92 1HB LEU 92 -14.486 2.417 7.570 750 HG LEU 92 HG LEU 92 -13.487 4.481 8.516 751 HD11 LEU 92 1HD1 LEU 92 -11.130 4.965 8.082 752 HD12 LEU 92 2HD1 LEU 92 -10.906 3.323 7.478 753 HD13 LEU 92 3HD1 LEU 92 -11.324 3.591 9.170 754 HD21 LEU 92 3HD2 LEU 92 -14.253 4.411 6.199 755 HD22 LEU 92 1HD2 LEU 92 -12.664 3.844 5.685 756 HD23 LEU 92 2HD2 LEU 92 -12.845 5.457 6.374 757 H MET 93 H MET 93 -15.741 1.394 10.138 758 HA MET 93 HA MET 93 -15.946 3.954 11.537 759 HB2 MET 93 2HB MET 93 -18.024 1.882 10.816 760 HB3 MET 93 1HB MET 93 -18.370 3.345 11.728 761 HG2 MET 93 2HG MET 93 -17.689 4.712 9.848 762 HG3 MET 93 1HG MET 93 -17.252 3.269 8.936 763 HE1 MET 93 3HE MET 93 -18.965 1.569 7.919 764 HE2 MET 93 1HE MET 93 -20.695 1.592 8.265 765 HE3 MET 93 2HE MET 93 -19.543 1.235 9.551 766 H THR 94 H THR 94 -14.584 1.278 12.401 767 HA THR 94 HA THR 94 -15.844 1.175 15.067 768 HB THR 94 HB THR 94 -14.301 -1.059 13.733 769 HG1 THR 94 1HG THR 94 -16.536 -0.436 12.933 770 HG21 THR 94 3HG2 THR 94 -15.150 -2.423 15.575 771 HG22 THR 94 1HG2 THR 94 -15.957 -1.013 16.260 772 HG23 THR 94 2HG2 THR 94 -14.196 -1.072 16.188 773 H ASN 95 H ASN 95 -14.618 1.760 16.736 774 HA ASN 95 HA ASN 95 -11.703 1.573 16.528 775 HB2 ASN 95 2HB ASN 95 -12.287 3.876 15.882 776 HB3 ASN 95 1HB ASN 95 -13.170 4.075 17.393 777 HD21 ASN 95 1HD2 ASN 95 -10.053 3.862 15.898 778 HD22 ASN 95 2HD2 ASN 95 -9.132 4.383 17.264 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -8.640 -3.395 12.368 2 H2 MET 1 2HT MET 1 -10.053 -2.540 12.007 3 H3 MET 1 3HT MET 1 -9.805 -3.141 13.568 4 HA MET 1 HA MET 1 -9.418 -0.774 13.506 5 HB2 MET 1 2HB MET 1 -8.101 -2.237 15.028 6 HB3 MET 1 1HB MET 1 -6.842 -2.332 13.804 7 HG2 MET 1 2HG MET 1 -6.453 0.048 13.972 8 HG3 MET 1 1HG MET 1 -7.776 0.207 15.124 9 HE1 MET 1 2HE MET 1 -6.394 -1.766 18.216 10 HE2 MET 1 3HE MET 1 -7.419 -2.377 16.918 11 HE3 MET 1 1HE MET 1 -7.717 -0.777 17.598 12 H GLU 2 H GLU 2 -8.211 1.010 12.729 13 HA GLU 2 HA GLU 2 -7.801 1.013 9.946 14 HB2 GLU 2 2HB GLU 2 -8.452 3.036 11.061 15 HB3 GLU 2 1HB GLU 2 -7.018 3.002 12.079 16 HG2 GLU 2 2HG GLU 2 -6.673 3.133 9.128 17 HG3 GLU 2 1HG GLU 2 -7.184 4.582 9.992 18 H SER 3 H SER 3 -5.453 1.132 12.628 19 HA SER 3 HA SER 3 -3.136 1.253 11.078 20 HB2 SER 3 2HB SER 3 -1.968 0.370 13.070 21 HB3 SER 3 1HB SER 3 -3.117 1.638 13.496 22 HG SER 3 HG SER 3 -3.339 -1.151 13.872 23 H GLU 4 H GLU 4 -5.064 -1.503 12.108 24 HA GLU 4 HA GLU 4 -3.236 -3.469 11.111 25 HB2 GLU 4 2HB GLU 4 -4.835 -3.923 12.950 26 HB3 GLU 4 1HB GLU 4 -6.165 -3.749 11.812 27 HG2 GLU 4 2HG GLU 4 -5.715 -6.078 12.190 28 HG3 GLU 4 1HG GLU 4 -5.295 -5.655 10.532 29 H TYR 5 H TYR 5 -5.912 -1.661 9.826 30 HA TYR 5 HA TYR 5 -6.381 -3.337 7.557 31 HB2 TYR 5 2HB TYR 5 -8.204 -2.005 8.296 32 HB3 TYR 5 1HB TYR 5 -7.233 -0.537 8.282 33 HD1 TYR 5 1HD TYR 5 -8.363 -3.200 5.904 34 HD2 TYR 5 2HD TYR 5 -7.547 0.927 6.541 35 HE1 TYR 5 1HE TYR 5 -9.148 -2.699 3.627 36 HE2 TYR 5 2HE TYR 5 -8.329 1.439 4.267 37 HH TYR 5 HH TYR 5 -10.006 -0.838 2.343 38 H ARG 6 H ARG 6 -4.389 -0.497 8.182 39 HA ARG 6 HA ARG 6 -3.762 -0.083 5.412 40 HB2 ARG 6 2HB ARG 6 -2.105 1.546 6.261 41 HB3 ARG 6 1HB ARG 6 -3.720 1.814 6.905 42 HG2 ARG 6 2HG ARG 6 -3.113 0.900 9.017 43 HG3 ARG 6 1HG ARG 6 -1.568 0.325 8.388 44 HD2 ARG 6 2HD ARG 6 -0.838 2.621 8.038 45 HD3 ARG 6 1HD ARG 6 -2.396 3.217 8.610 46 HE ARG 6 HE ARG 6 -1.388 1.643 10.638 47 HH11 ARG 6 1HH1 ARG 6 -0.416 4.525 8.936 48 HH12 ARG 6 2HH1 ARG 6 0.451 5.183 10.284 49 HH21 ARG 6 1HH2 ARG 6 -0.251 2.499 12.415 50 HH22 ARG 6 2HH2 ARG 6 0.547 4.028 12.263 51 H GLU 7 H GLU 7 -2.025 -1.448 8.191 52 HA GLU 7 HA GLU 7 0.375 -1.978 6.815 53 HB2 GLU 7 2HB GLU 7 0.249 -1.884 9.252 54 HB3 GLU 7 1HB GLU 7 -0.774 -3.313 9.269 55 HG2 GLU 7 2HG GLU 7 1.053 -4.641 8.348 56 HG3 GLU 7 1HG GLU 7 2.079 -3.208 8.315 57 H MET 8 H MET 8 -2.328 -4.147 7.644 58 HA MET 8 HA MET 8 -1.261 -6.445 6.442 59 HB2 MET 8 2HB MET 8 -3.076 -6.525 8.069 60 HB3 MET 8 1HB MET 8 -4.147 -5.710 6.939 61 HG2 MET 8 2HG MET 8 -4.088 -7.595 5.449 62 HG3 MET 8 1HG MET 8 -2.888 -8.400 6.458 63 HE1 MET 8 3HE MET 8 -5.542 -9.884 5.544 64 HE2 MET 8 1HE MET 8 -5.998 -10.660 7.060 65 HE3 MET 8 2HE MET 8 -4.303 -10.594 6.578 66 H LEU 9 H LEU 9 -3.486 -4.002 5.127 67 HA LEU 9 HA LEU 9 -3.932 -5.332 2.670 68 HB2 LEU 9 2HB LEU 9 -5.431 -3.614 3.559 69 HB3 LEU 9 1HB LEU 9 -4.183 -2.403 3.344 70 HG LEU 9 HG LEU 9 -5.093 -3.943 0.955 71 HD11 LEU 9 1HD1 LEU 9 -6.904 -2.344 0.585 72 HD12 LEU 9 2HD1 LEU 9 -6.602 -1.633 2.170 73 HD13 LEU 9 3HD1 LEU 9 -7.174 -3.296 2.044 74 HD21 LEU 9 3HD2 LEU 9 -3.292 -2.461 0.561 75 HD22 LEU 9 1HD2 LEU 9 -4.052 -1.172 1.493 76 HD23 LEU 9 2HD2 LEU 9 -4.731 -1.653 -0.061 77 H LEU 10 H LEU 10 -1.572 -2.871 3.632 78 HA LEU 10 HA LEU 10 -0.597 -2.493 0.968 79 HB2 LEU 10 2HB LEU 10 0.470 -1.659 3.653 80 HB3 LEU 10 1HB LEU 10 1.246 -1.243 2.137 81 HG LEU 10 HG LEU 10 -1.611 -0.503 2.736 82 HD11 LEU 10 1HD1 LEU 10 -0.786 1.720 3.330 83 HD12 LEU 10 2HD1 LEU 10 0.873 1.133 3.216 84 HD13 LEU 10 3HD1 LEU 10 -0.207 0.490 4.453 85 HD21 LEU 10 3HD2 LEU 10 0.413 0.558 0.766 86 HD22 LEU 10 1HD2 LEU 10 -1.233 1.157 0.980 87 HD23 LEU 10 2HD2 LEU 10 -0.960 -0.482 0.385 88 H LEU 11 H LEU 11 0.642 -4.272 3.798 89 HA LEU 11 HA LEU 11 3.085 -5.013 2.646 90 HB2 LEU 11 2HB LEU 11 3.297 -6.629 4.386 91 HB3 LEU 11 1HB LEU 11 2.559 -5.191 5.054 92 HG LEU 11 HG LEU 11 0.316 -6.485 4.648 93 HD11 LEU 11 1HD1 LEU 11 2.352 -8.706 4.710 94 HD12 LEU 11 2HD1 LEU 11 1.159 -8.379 3.453 95 HD13 LEU 11 3HD1 LEU 11 0.636 -8.927 5.045 96 HD21 LEU 11 3HD2 LEU 11 2.231 -7.219 6.858 97 HD22 LEU 11 1HD2 LEU 11 0.477 -7.405 6.899 98 HD23 LEU 11 2HD2 LEU 11 1.191 -5.794 6.821 99 H THR 12 H THR 12 -0.105 -6.209 2.106 100 HA THR 12 HA THR 12 0.430 -8.806 1.222 101 HB THR 12 HB THR 12 -1.686 -6.948 0.116 102 HG1 THR 12 1HG THR 12 -2.638 -7.168 1.985 103 HG21 THR 12 3HG2 THR 12 -1.413 -8.978 -1.205 104 HG22 THR 12 1HG2 THR 12 -2.927 -9.033 -0.304 105 HG23 THR 12 2HG2 THR 12 -1.535 -9.963 0.253 106 H GLY 13 H GLY 13 1.312 -5.816 -0.164 107 HA2 GLY 13 2HA GLY 13 1.696 -7.049 -2.810 108 HA3 GLY 13 1HA GLY 13 1.668 -5.323 -2.493 109 H LEU 14 H LEU 14 3.457 -5.002 -0.471 110 HA LEU 14 HA LEU 14 5.922 -5.030 -1.779 111 HB2 LEU 14 2HB LEU 14 5.211 -4.770 1.134 112 HB3 LEU 14 1HB LEU 14 6.868 -4.683 0.576 113 HG LEU 14 HG LEU 14 6.081 -2.453 0.882 114 HD11 LEU 14 1HD1 LEU 14 7.488 -2.832 -1.084 115 HD12 LEU 14 2HD1 LEU 14 6.354 -1.506 -1.335 116 HD13 LEU 14 3HD1 LEU 14 6.045 -3.080 -2.066 117 HD21 LEU 14 3HD2 LEU 14 4.112 -1.581 -0.304 118 HD22 LEU 14 1HD2 LEU 14 3.698 -2.857 0.840 119 HD23 LEU 14 2HD2 LEU 14 3.759 -3.207 -0.887 120 H ASP 15 H ASP 15 4.597 -7.263 0.622 121 HA ASP 15 HA ASP 15 6.970 -8.889 0.663 122 HB2 ASP 15 2HB ASP 15 4.217 -9.297 1.842 123 HB3 ASP 15 1HB ASP 15 5.570 -10.396 2.095 124 H HIS 16 H HIS 16 4.977 -8.479 -1.765 125 HA HIS 16 HA HIS 16 5.132 -11.291 -2.592 126 HB2 HIS 16 2HB HIS 16 2.738 -9.473 -2.780 127 HB3 HIS 16 1HB HIS 16 2.921 -10.882 -3.820 128 HD1 HIS 16 1HD HIS 16 2.211 -9.920 -0.263 129 HD2 HIS 16 2HD HIS 16 2.613 -13.345 -2.580 130 HE1 HIS 16 1HE HIS 16 1.353 -11.837 1.148 131 H ILE 17 H ILE 17 6.688 -8.770 -3.146 132 HA ILE 17 HA ILE 17 6.624 -9.016 -6.071 133 HB ILE 17 HB ILE 17 7.031 -6.592 -6.316 134 HG12 ILE 17 2HG1 ILE 17 6.313 -6.476 -3.376 135 HG13 ILE 17 1HG1 ILE 17 7.915 -6.183 -4.046 136 HG21 ILE 17 1HG2 ILE 17 4.463 -7.369 -4.943 137 HG22 ILE 17 2HG2 ILE 17 4.807 -7.438 -6.670 138 HG23 ILE 17 3HG2 ILE 17 4.705 -5.879 -5.854 139 HD11 ILE 17 3HD1 ILE 17 7.005 -4.258 -5.286 140 HD12 ILE 17 1HD1 ILE 17 6.846 -4.092 -3.537 141 HD13 ILE 17 2HD1 ILE 17 5.444 -4.532 -4.513 142 H THR 18 H THR 18 8.617 -8.363 -7.119 143 HA THR 18 HA THR 18 10.920 -9.227 -5.650 144 HB THR 18 HB THR 18 12.165 -8.780 -7.747 145 HG1 THR 18 1HG THR 18 10.811 -8.162 -9.586 146 HG21 THR 18 3HG2 THR 18 11.058 -10.935 -7.439 147 HG22 THR 18 1HG2 THR 18 11.006 -10.445 -9.132 148 HG23 THR 18 2HG2 THR 18 9.570 -10.281 -8.121 149 H GLU 19 H GLU 19 13.018 -7.904 -5.933 150 HA GLU 19 HA GLU 19 12.697 -5.482 -4.494 151 HB2 GLU 19 2HB GLU 19 14.671 -6.935 -4.253 152 HB3 GLU 19 1HB GLU 19 15.144 -6.562 -5.905 153 HG2 GLU 19 2HG GLU 19 15.482 -4.244 -5.324 154 HG3 GLU 19 1HG GLU 19 14.903 -4.543 -3.686 155 H GLU 20 H GLU 20 13.512 -6.203 -7.865 156 HA GLU 20 HA GLU 20 14.068 -3.600 -8.711 157 HB2 GLU 20 2HB GLU 20 13.483 -4.438 -10.989 158 HB3 GLU 20 1HB GLU 20 14.617 -5.465 -10.121 159 HG2 GLU 20 2HG GLU 20 12.802 -6.993 -9.551 160 HG3 GLU 20 1HG GLU 20 11.661 -5.961 -10.413 161 H GLU 21 H GLU 21 10.998 -5.352 -8.558 162 HA GLU 21 HA GLU 21 9.487 -3.178 -9.671 163 HB2 GLU 21 2HB GLU 21 8.559 -5.651 -8.201 164 HB3 GLU 21 1HB GLU 21 7.523 -4.545 -9.090 165 HG2 GLU 21 2HG GLU 21 8.671 -5.116 -11.160 166 HG3 GLU 21 1HG GLU 21 9.737 -6.205 -10.274 167 H LEU 22 H LEU 22 10.439 -4.225 -6.503 168 HA LEU 22 HA LEU 22 8.544 -2.998 -4.895 169 HB2 LEU 22 2HB LEU 22 10.189 -4.503 -3.990 170 HB3 LEU 22 1HB LEU 22 11.493 -3.425 -4.446 171 HG LEU 22 HG LEU 22 9.465 -2.319 -2.589 172 HD11 LEU 22 1HD1 LEU 22 9.727 -4.559 -1.691 173 HD12 LEU 22 2HD1 LEU 22 10.538 -3.384 -0.655 174 HD13 LEU 22 3HD1 LEU 22 11.481 -4.396 -1.749 175 HD21 LEU 22 3HD2 LEU 22 11.498 -1.360 -1.574 176 HD22 LEU 22 1HD2 LEU 22 11.352 -0.974 -3.288 177 HD23 LEU 22 2HD2 LEU 22 12.475 -2.228 -2.758 178 H LYS 23 H LYS 23 11.594 -1.628 -6.124 179 HA LYS 23 HA LYS 23 11.130 0.939 -4.972 180 HB2 LYS 23 2HB LYS 23 13.019 1.650 -6.456 181 HB3 LYS 23 1HB LYS 23 13.392 0.294 -5.403 182 HG2 LYS 23 2HG LYS 23 13.038 -1.246 -7.274 183 HG3 LYS 23 1HG LYS 23 12.694 0.127 -8.327 184 HD2 LYS 23 2HD LYS 23 14.939 0.995 -7.958 185 HD3 LYS 23 1HD LYS 23 15.285 -0.334 -6.848 186 HE2 LYS 23 2HE LYS 23 14.966 -1.933 -8.679 187 HE3 LYS 23 1HE LYS 23 14.640 -0.598 -9.783 188 HZ1 LYS 23 3HZ LYS 23 17.186 -1.035 -8.319 189 HZ2 LYS 23 1HZ LYS 23 16.873 0.227 -9.401 190 HZ3 LYS 23 2HZ LYS 23 16.926 -1.369 -9.957 191 H ARG 24 H ARG 24 10.308 -0.574 -7.993 192 HA ARG 24 HA ARG 24 9.829 1.675 -9.577 193 HB2 ARG 24 2HB ARG 24 9.872 -0.703 -10.358 194 HB3 ARG 24 1HB ARG 24 8.283 -0.920 -9.638 195 HG2 ARG 24 2HG ARG 24 7.374 0.791 -11.130 196 HG3 ARG 24 1HG ARG 24 8.970 0.999 -11.856 197 HD2 ARG 24 2HD ARG 24 8.917 -1.418 -12.477 198 HD3 ARG 24 1HD ARG 24 7.251 -1.477 -11.905 199 HE ARG 24 HE ARG 24 7.578 0.602 -13.797 200 HH11 ARG 24 1HH1 ARG 24 7.342 -2.867 -13.544 201 HH12 ARG 24 2HH1 ARG 24 6.716 -3.069 -15.146 202 HH21 ARG 24 1HH2 ARG 24 6.757 0.342 -15.906 203 HH22 ARG 24 2HH2 ARG 24 6.384 -1.247 -16.488 204 H PHE 25 H PHE 25 7.723 0.009 -7.273 205 HA PHE 25 HA PHE 25 5.371 1.444 -7.837 206 HB2 PHE 25 2HB PHE 25 5.288 -0.622 -6.580 207 HB3 PHE 25 1HB PHE 25 6.273 0.073 -5.298 208 HD1 PHE 25 1HD PHE 25 3.084 0.797 -7.102 209 HD2 PHE 25 2HD PHE 25 5.192 0.770 -3.405 210 HE1 PHE 25 1HE PHE 25 1.044 1.530 -5.938 211 HE2 PHE 25 2HE PHE 25 3.155 1.503 -2.234 212 HZ PHE 25 HZ PHE 25 1.078 1.883 -3.501 213 H LYS 26 H LYS 26 7.704 1.895 -5.178 214 HA LYS 26 HA LYS 26 6.541 4.259 -4.190 215 HB2 LYS 26 2HB LYS 26 9.204 2.935 -3.872 216 HB3 LYS 26 1HB LYS 26 8.966 4.559 -3.241 217 HG2 LYS 26 2HG LYS 26 7.443 3.867 -1.656 218 HG3 LYS 26 1HG LYS 26 7.012 2.411 -2.555 219 HD2 LYS 26 2HD LYS 26 9.726 2.835 -1.324 220 HD3 LYS 26 1HD LYS 26 8.393 2.063 -0.465 221 HE2 LYS 26 2HE LYS 26 9.659 1.138 -3.039 222 HE3 LYS 26 1HE LYS 26 9.816 0.377 -1.457 223 HZ1 LYS 26 3HZ LYS 26 7.442 -0.082 -1.485 224 HZ2 LYS 26 1HZ LYS 26 8.201 -0.773 -2.828 225 HZ3 LYS 26 2HZ LYS 26 7.296 0.644 -3.005 226 H TYR 27 H TYR 27 8.664 3.698 -6.864 227 HA TYR 27 HA TYR 27 9.814 6.273 -7.046 228 HB2 TYR 27 2HB TYR 27 10.725 4.332 -8.242 229 HB3 TYR 27 1HB TYR 27 9.277 4.257 -9.237 230 HD1 TYR 27 2HD TYR 27 12.361 6.134 -8.554 231 HD2 TYR 27 1HD TYR 27 8.942 5.796 -11.063 232 HE1 TYR 27 2HE TYR 27 13.403 7.666 -10.170 233 HE2 TYR 27 1HE TYR 27 9.975 7.326 -12.687 234 HH TYR 27 HH TYR 27 11.693 9.113 -12.698 235 H PHE 28 H PHE 28 6.925 4.856 -8.559 236 HA PHE 28 HA PHE 28 6.257 7.289 -9.924 237 HB2 PHE 28 2HB PHE 28 4.905 4.636 -9.569 238 HB3 PHE 28 1HB PHE 28 4.020 5.998 -10.249 239 HD1 PHE 28 1HD PHE 28 7.123 4.000 -10.696 240 HD2 PHE 28 2HD PHE 28 4.182 6.485 -12.512 241 HE1 PHE 28 1HE PHE 28 8.090 3.523 -12.907 242 HE2 PHE 28 2HE PHE 28 5.144 6.011 -14.726 243 HZ PHE 28 HZ PHE 28 7.100 4.529 -14.926 244 H ALA 29 H ALA 29 4.944 5.578 -7.085 245 HA ALA 29 HA ALA 29 2.904 7.453 -6.546 246 HB1 ALA 29 1HB ALA 29 2.806 6.417 -4.319 247 HB2 ALA 29 2HB ALA 29 4.310 5.563 -4.659 248 HB3 ALA 29 3HB ALA 29 2.864 5.211 -5.605 249 H LEU 30 H LEU 30 6.112 7.026 -5.048 250 HA LEU 30 HA LEU 30 5.887 9.694 -3.863 251 HB2 LEU 30 2HB LEU 30 8.126 7.737 -3.418 252 HB3 LEU 30 1HB LEU 30 7.639 9.079 -2.400 253 HG LEU 30 HG LEU 30 5.964 6.610 -2.843 254 HD11 LEU 30 1HD1 LEU 30 8.057 6.050 -1.713 255 HD12 LEU 30 2HD1 LEU 30 6.675 5.915 -0.624 256 HD13 LEU 30 3HD1 LEU 30 7.748 7.311 -0.518 257 HD21 LEU 30 3HD2 LEU 30 4.691 8.596 -2.223 258 HD22 LEU 30 1HD2 LEU 30 5.751 8.850 -0.835 259 HD23 LEU 30 2HD2 LEU 30 4.718 7.422 -0.907 260 H THR 31 H THR 31 6.277 11.009 -5.664 261 HA THR 31 HA THR 31 8.759 10.615 -7.143 262 HB THR 31 HB THR 31 7.981 12.446 -8.583 263 HG1 THR 31 1HG THR 31 6.804 13.633 -7.005 264 HG21 THR 31 3HG2 THR 31 5.870 10.356 -8.043 265 HG22 THR 31 1HG2 THR 31 7.276 10.162 -9.088 266 HG23 THR 31 2HG2 THR 31 6.012 11.315 -9.516 267 H GLU 32 H GLU 32 7.190 13.196 -5.256 268 HA GLU 32 HA GLU 32 9.737 14.623 -5.116 269 HB2 GLU 32 2HB GLU 32 6.981 15.471 -4.215 270 HB3 GLU 32 1HB GLU 32 8.419 16.483 -4.205 271 HG2 GLU 32 2HG GLU 32 8.559 16.321 -6.633 272 HG3 GLU 32 1HG GLU 32 7.125 15.296 -6.649 273 H PHE 33 H PHE 33 8.079 12.356 -3.311 274 HA PHE 33 HA PHE 33 8.684 13.411 -0.701 275 HB2 PHE 33 2HB PHE 33 7.734 10.685 -1.588 276 HB3 PHE 33 1HB PHE 33 7.926 11.167 0.094 277 HD1 PHE 33 1HD PHE 33 6.659 13.369 0.764 278 HD2 PHE 33 2HD PHE 33 5.675 10.934 -2.583 279 HE1 PHE 33 1HE PHE 33 4.381 14.298 0.764 280 HE2 PHE 33 2HE PHE 33 3.395 11.858 -2.591 281 HZ PHE 33 HZ PHE 33 2.746 13.544 -0.917 282 H GLN 34 H GLN 34 10.329 11.464 -3.032 283 HA GLN 34 HA GLN 34 12.271 10.243 -2.972 284 HB2 GLN 34 2HB GLN 34 13.014 12.620 -2.911 285 HB3 GLN 34 1HB GLN 34 13.092 12.519 -1.158 286 HG2 GLN 34 2HG GLN 34 14.789 10.748 -1.358 287 HG3 GLN 34 1HG GLN 34 14.739 10.929 -3.112 288 HE21 GLN 34 1HE2 GLN 34 16.955 11.315 -1.243 289 HE22 GLN 34 2HE2 GLN 34 17.499 12.938 -1.478 290 H ILE 35 H ILE 35 11.001 8.624 -1.612 291 HA ILE 35 HA ILE 35 11.415 8.475 1.181 292 HB ILE 35 HB ILE 35 9.648 7.252 -0.190 293 HG12 ILE 35 2HG1 ILE 35 11.114 5.411 1.684 294 HG13 ILE 35 1HG1 ILE 35 10.334 6.875 2.275 295 HG21 ILE 35 1HG2 ILE 35 11.901 5.284 -0.572 296 HG22 ILE 35 2HG2 ILE 35 11.175 6.275 -1.838 297 HG23 ILE 35 3HG2 ILE 35 10.213 5.042 -1.023 298 HD11 ILE 35 3HD1 ILE 35 8.191 6.090 1.471 299 HD12 ILE 35 1HD1 ILE 35 8.926 4.888 2.531 300 HD13 ILE 35 2HD1 ILE 35 8.952 4.654 0.783 301 H ALA 36 H ALA 36 12.737 6.963 2.364 302 HA ALA 36 HA ALA 36 15.417 6.830 1.317 303 HB1 ALA 36 1HB ALA 36 14.331 5.849 3.951 304 HB2 ALA 36 2HB ALA 36 15.000 7.453 3.645 305 HB3 ALA 36 3HB ALA 36 16.033 6.029 3.527 306 H ARG 37 H ARG 37 16.385 5.161 0.381 307 HA ARG 37 HA ARG 37 14.994 2.779 -0.256 308 HB2 ARG 37 2HB ARG 37 17.131 2.038 -1.232 309 HB3 ARG 37 1HB ARG 37 16.715 3.674 -1.725 310 HG2 ARG 37 2HG ARG 37 18.311 4.610 -0.214 311 HG3 ARG 37 1HG ARG 37 18.619 3.032 0.515 312 HD2 ARG 37 2HD ARG 37 19.521 2.229 -1.611 313 HD3 ARG 37 1HD ARG 37 19.207 3.803 -2.343 314 HE ARG 37 HE ARG 37 20.788 4.322 -0.161 315 HH11 ARG 37 1HH1 ARG 37 21.054 2.365 -3.031 316 HH12 ARG 37 2HH1 ARG 37 22.777 2.515 -3.128 317 HH21 ARG 37 1HH2 ARG 37 23.055 4.522 -0.278 318 HH22 ARG 37 2HH2 ARG 37 23.915 3.738 -1.561 319 H SER 38 H SER 38 16.892 3.696 2.450 320 HA SER 38 HA SER 38 17.773 1.091 3.212 321 HB2 SER 38 2HB SER 38 18.350 2.158 5.363 322 HB3 SER 38 1HB SER 38 18.936 3.098 3.990 323 HG SER 38 HG SER 38 17.922 4.663 4.973 324 H THR 39 H THR 39 14.935 3.032 3.877 325 HA THR 39 HA THR 39 13.938 1.459 6.023 326 HB THR 39 HB THR 39 11.827 2.637 5.690 327 HG1 THR 39 1HG THR 39 11.595 4.044 3.913 328 HG21 THR 39 3HG2 THR 39 12.638 4.948 5.929 329 HG22 THR 39 1HG2 THR 39 14.227 4.440 5.355 330 HG23 THR 39 2HG2 THR 39 13.599 3.815 6.881 331 H LEU 40 H LEU 40 14.011 0.990 2.639 332 HA LEU 40 HA LEU 40 11.691 -0.358 2.045 333 HB2 LEU 40 2HB LEU 40 14.466 -1.040 1.083 334 HB3 LEU 40 1HB LEU 40 12.971 -1.539 0.316 335 HG LEU 40 HG LEU 40 13.953 1.304 0.587 336 HD11 LEU 40 1HD1 LEU 40 13.758 -0.517 -1.805 337 HD12 LEU 40 2HD1 LEU 40 15.241 0.031 -1.025 338 HD13 LEU 40 3HD1 LEU 40 14.199 1.191 -1.850 339 HD21 LEU 40 3HD2 LEU 40 12.065 1.866 -0.877 340 HD22 LEU 40 1HD2 LEU 40 11.527 1.209 0.669 341 HD23 LEU 40 2HD2 LEU 40 11.501 0.199 -0.776 342 H ASP 41 H ASP 41 14.167 -1.371 4.193 343 HA ASP 41 HA ASP 41 13.978 -4.151 4.019 344 HB2 ASP 41 2HB ASP 41 15.694 -2.946 5.336 345 HB3 ASP 41 1HB ASP 41 14.457 -2.493 6.505 346 H VAL 42 H VAL 42 12.401 -2.100 6.479 347 HA VAL 42 HA VAL 42 10.281 -4.134 6.704 348 HB VAL 42 HB VAL 42 9.761 -2.958 8.890 349 HG11 VAL 42 1HG1 VAL 42 10.930 -5.100 8.799 350 HG12 VAL 42 2HG1 VAL 42 11.554 -4.096 10.108 351 HG13 VAL 42 3HG1 VAL 42 12.469 -4.260 8.609 352 HG21 VAL 42 3HG2 VAL 42 12.466 -1.721 8.385 353 HG22 VAL 42 1HG2 VAL 42 11.549 -1.621 9.888 354 HG23 VAL 42 2HG2 VAL 42 10.925 -0.865 8.422 355 H ALA 43 H ALA 43 10.700 -1.649 4.897 356 HA ALA 43 HA ALA 43 8.914 0.361 5.431 357 HB1 ALA 43 1HB ALA 43 10.447 0.427 3.557 358 HB2 ALA 43 2HB ALA 43 8.796 0.736 3.022 359 HB3 ALA 43 3HB ALA 43 9.531 -0.843 2.748 360 H ASP 44 H ASP 44 8.198 -2.828 4.148 361 HA ASP 44 HA ASP 44 5.629 -2.312 3.216 362 HB2 ASP 44 2HB ASP 44 5.218 -4.735 3.541 363 HB3 ASP 44 1HB ASP 44 6.748 -4.402 2.737 364 H ARG 45 H ARG 45 6.540 -3.558 6.461 365 HA ARG 45 HA ARG 45 3.822 -3.244 7.336 366 HB2 ARG 45 2HB ARG 45 4.865 -3.875 9.606 367 HB3 ARG 45 1HB ARG 45 4.807 -5.074 8.324 368 HG2 ARG 45 2HG ARG 45 7.160 -4.586 7.791 369 HG3 ARG 45 1HG ARG 45 7.205 -3.439 9.130 370 HD2 ARG 45 2HD ARG 45 8.148 -5.585 9.787 371 HD3 ARG 45 1HD ARG 45 6.679 -5.233 10.695 372 HE ARG 45 HE ARG 45 6.029 -6.761 8.425 373 HH11 ARG 45 1HH1 ARG 45 7.643 -7.062 11.498 374 HH12 ARG 45 2HH1 ARG 45 7.284 -8.747 11.666 375 HH21 ARG 45 1HH2 ARG 45 5.551 -8.979 8.640 376 HH22 ARG 45 2HH2 ARG 45 6.094 -9.836 10.044 377 H THR 46 H THR 46 6.851 -1.795 8.601 378 HA THR 46 HA THR 46 5.309 0.095 10.137 379 HB THR 46 HB THR 46 7.445 0.797 11.087 380 HG1 THR 46 1HG THR 46 9.091 -1.042 10.190 381 HG21 THR 46 3HG2 THR 46 7.998 -1.327 12.175 382 HG22 THR 46 1HG2 THR 46 7.097 -2.200 10.936 383 HG23 THR 46 2HG2 THR 46 6.252 -1.118 12.041 384 H GLU 47 H GLU 47 7.994 0.578 7.810 385 HA GLU 47 HA GLU 47 7.749 3.402 7.969 386 HB2 GLU 47 2HB GLU 47 9.470 1.487 6.554 387 HB3 GLU 47 1HB GLU 47 9.328 3.084 5.824 388 HG2 GLU 47 2HG GLU 47 10.128 2.534 8.674 389 HG3 GLU 47 1HG GLU 47 11.237 2.895 7.353 390 H LEU 48 H LEU 48 7.235 1.352 5.059 391 HA LEU 48 HA LEU 48 6.360 3.460 3.458 392 HB2 LEU 48 2HB LEU 48 6.782 0.767 3.086 393 HB3 LEU 48 1HB LEU 48 5.057 0.930 2.822 394 HG LEU 48 HG LEU 48 7.244 2.394 1.342 395 HD11 LEU 48 1HD1 LEU 48 6.436 1.118 -0.582 396 HD12 LEU 48 2HD1 LEU 48 5.288 0.277 0.459 397 HD13 LEU 48 3HD1 LEU 48 7.021 0.060 0.701 398 HD21 LEU 48 3HD2 LEU 48 5.255 3.805 1.664 399 HD22 LEU 48 1HD2 LEU 48 4.257 2.535 0.956 400 HD23 LEU 48 2HD2 LEU 48 5.478 3.346 -0.023 401 H ALA 49 H ALA 49 4.371 1.120 5.263 402 HA ALA 49 HA ALA 49 1.879 2.030 4.484 403 HB1 ALA 49 1HB ALA 49 2.622 0.927 7.187 404 HB2 ALA 49 2HB ALA 49 2.256 -0.031 5.752 405 HB3 ALA 49 3HB ALA 49 1.005 0.975 6.484 406 H ASP 50 H ASP 50 3.671 3.019 7.406 407 HA ASP 50 HA ASP 50 1.764 4.962 8.190 408 HB2 ASP 50 2HB ASP 50 3.360 3.914 9.753 409 HB3 ASP 50 1HB ASP 50 4.683 4.761 8.956 410 H HIS 51 H HIS 51 4.627 5.134 6.160 411 HA HIS 51 HA HIS 51 4.835 7.971 6.187 412 HB2 HIS 51 2HB HIS 51 6.725 6.470 5.653 413 HB3 HIS 51 1HB HIS 51 5.923 6.028 4.148 414 HD1 HIS 51 1HD HIS 51 5.718 7.986 2.329 415 HD2 HIS 51 2HD HIS 51 8.156 8.783 5.597 416 HE1 HIS 51 1HE HIS 51 7.124 9.991 1.694 417 H LEU 52 H LEU 52 3.736 5.769 3.582 418 HA LEU 52 HA LEU 52 2.992 7.746 1.789 419 HB2 LEU 52 2HB LEU 52 1.737 6.097 0.615 420 HB3 LEU 52 1HB LEU 52 3.186 5.340 1.245 421 HG LEU 52 HG LEU 52 1.472 4.727 3.231 422 HD11 LEU 52 1HD1 LEU 52 -0.671 4.061 2.233 423 HD12 LEU 52 2HD1 LEU 52 -0.205 4.854 0.729 424 HD13 LEU 52 3HD1 LEU 52 -0.433 5.807 2.195 425 HD21 LEU 52 3HD2 LEU 52 1.888 3.261 0.629 426 HD22 LEU 52 1HD2 LEU 52 1.180 2.543 2.075 427 HD23 LEU 52 2HD2 LEU 52 2.845 3.117 2.103 428 H ILE 53 H ILE 53 1.083 6.315 4.412 429 HA ILE 53 HA ILE 53 -1.341 7.598 3.662 430 HB ILE 53 HB ILE 53 -2.200 6.949 5.850 431 HG12 ILE 53 2HG1 ILE 53 -0.507 5.408 7.175 432 HG13 ILE 53 1HG1 ILE 53 0.690 6.460 6.428 433 HG21 ILE 53 1HG2 ILE 53 -0.583 4.802 4.497 434 HG22 ILE 53 2HG2 ILE 53 -2.211 5.323 4.063 435 HG23 ILE 53 3HG2 ILE 53 -1.924 4.523 5.609 436 HD11 ILE 53 3HD1 ILE 53 -1.608 7.388 8.133 437 HD12 ILE 53 1HD1 ILE 53 -0.326 8.394 7.460 438 HD13 ILE 53 2HD1 ILE 53 0.054 7.182 8.683 439 H GLN 54 H GLN 54 1.413 8.599 5.512 440 HA GLN 54 HA GLN 54 0.276 10.633 7.055 441 HB2 GLN 54 2HB GLN 54 2.583 9.815 7.341 442 HB3 GLN 54 1HB GLN 54 3.032 10.563 5.814 443 HG2 GLN 54 2HG GLN 54 2.475 12.764 6.745 444 HG3 GLN 54 1HG GLN 54 2.081 11.997 8.284 445 HE21 GLN 54 1HE2 GLN 54 4.617 12.906 6.095 446 HE22 GLN 54 2HE2 GLN 54 5.929 12.664 7.190 447 H SER 55 H SER 55 1.003 10.505 3.663 448 HA SER 55 HA SER 55 1.230 13.202 3.037 449 HB2 SER 55 2HB SER 55 1.692 11.435 1.420 450 HB3 SER 55 1HB SER 55 -0.014 10.989 1.393 451 HG SER 55 HG SER 55 -0.498 12.901 0.400 452 H ALA 56 H ALA 56 -1.759 11.229 2.839 453 HA ALA 56 HA ALA 56 -3.271 13.729 3.242 454 HB1 ALA 56 1HB ALA 56 -5.016 12.890 1.784 455 HB2 ALA 56 2HB ALA 56 -4.112 11.398 1.527 456 HB3 ALA 56 3HB ALA 56 -3.472 12.928 0.930 457 H GLY 57 H GLY 57 -3.096 10.269 3.847 458 HA2 GLY 57 2HA GLY 57 -3.973 10.204 6.401 459 HA3 GLY 57 1HA GLY 57 -5.477 10.269 5.492 460 H ALA 58 H ALA 58 -5.105 8.134 7.067 461 HA ALA 58 HA ALA 58 -3.792 5.954 5.806 462 HB1 ALA 58 1HB ALA 58 -5.945 5.917 7.915 463 HB2 ALA 58 2HB ALA 58 -4.209 6.020 8.213 464 HB3 ALA 58 3HB ALA 58 -4.893 4.571 7.476 465 H ALA 59 H ALA 59 -7.281 6.319 6.427 466 HA ALA 59 HA ALA 59 -8.159 4.346 4.707 467 HB1 ALA 59 1HB ALA 59 -9.564 5.437 6.388 468 HB2 ALA 59 2HB ALA 59 -10.337 5.411 4.803 469 HB3 ALA 59 3HB ALA 59 -9.602 6.898 5.402 470 H SER 60 H SER 60 -7.252 7.648 3.955 471 HA SER 60 HA SER 60 -8.413 7.659 1.341 472 HB2 SER 60 2HB SER 60 -6.311 9.462 2.556 473 HB3 SER 60 1HB SER 60 -7.158 9.761 1.038 474 HG SER 60 HG SER 60 -9.131 9.586 2.406 475 H ALA 61 H ALA 61 -5.010 7.549 2.433 476 HA ALA 61 HA ALA 61 -3.987 7.131 -0.179 477 HB1 ALA 61 1HB ALA 61 -2.701 8.152 1.650 478 HB2 ALA 61 2HB ALA 61 -1.854 6.808 0.885 479 HB3 ALA 61 3HB ALA 61 -2.633 6.581 2.450 480 H VAL 62 H VAL 62 -4.609 4.894 2.513 481 HA VAL 62 HA VAL 62 -3.453 2.612 1.403 482 HB VAL 62 HB VAL 62 -5.824 2.800 3.265 483 HG11 VAL 62 1HG1 VAL 62 -5.818 0.625 2.220 484 HG12 VAL 62 2HG1 VAL 62 -5.245 0.468 3.880 485 HG13 VAL 62 3HG1 VAL 62 -4.096 0.434 2.544 486 HG21 VAL 62 3HG2 VAL 62 -3.713 3.819 4.076 487 HG22 VAL 62 1HG2 VAL 62 -2.919 2.258 3.869 488 HG23 VAL 62 2HG2 VAL 62 -4.232 2.432 5.036 489 H THR 63 H THR 63 -6.559 4.096 0.751 490 HA THR 63 HA THR 63 -7.578 1.797 -0.661 491 HB THR 63 HB THR 63 -9.423 3.373 -1.350 492 HG1 THR 63 1HG THR 63 -9.453 5.405 -0.424 493 HG21 THR 63 3HG2 THR 63 -10.410 3.478 0.899 494 HG22 THR 63 1HG2 THR 63 -8.833 3.117 1.600 495 HG23 THR 63 2HG2 THR 63 -9.645 1.919 0.594 496 H LYS 64 H LYS 64 -6.490 5.060 -1.615 497 HA LYS 64 HA LYS 64 -6.818 4.658 -4.389 498 HB2 LYS 64 2HB LYS 64 -5.445 6.647 -4.670 499 HB3 LYS 64 1HB LYS 64 -6.605 6.885 -3.370 500 HG2 LYS 64 2HG LYS 64 -4.993 6.874 -1.740 501 HG3 LYS 64 1HG LYS 64 -3.866 5.922 -2.708 502 HD2 LYS 64 2HD LYS 64 -3.462 7.830 -4.151 503 HD3 LYS 64 1HD LYS 64 -4.631 8.789 -3.241 504 HE2 LYS 64 2HE LYS 64 -2.394 9.355 -2.528 505 HE3 LYS 64 1HE LYS 64 -3.236 8.517 -1.225 506 HZ1 LYS 64 3HZ LYS 64 -0.988 7.696 -1.462 507 HZ2 LYS 64 1HZ LYS 64 -1.263 7.302 -3.085 508 HZ3 LYS 64 2HZ LYS 64 -2.089 6.476 -1.862 509 H ALA 65 H ALA 65 -4.273 3.829 -2.175 510 HA ALA 65 HA ALA 65 -2.099 3.525 -3.863 511 HB1 ALA 65 1HB ALA 65 -2.827 1.771 -1.520 512 HB2 ALA 65 2HB ALA 65 -1.986 3.318 -1.420 513 HB3 ALA 65 3HB ALA 65 -1.223 1.951 -2.232 514 H ILE 66 H ILE 66 -4.923 1.534 -3.479 515 HA ILE 66 HA ILE 66 -4.008 -0.846 -4.652 516 HB ILE 66 HB ILE 66 -6.789 0.328 -4.655 517 HG12 ILE 66 2HG1 ILE 66 -5.778 -0.084 -2.412 518 HG13 ILE 66 1HG1 ILE 66 -7.202 -1.068 -2.729 519 HG21 ILE 66 1HG2 ILE 66 -7.536 -2.003 -5.042 520 HG22 ILE 66 2HG2 ILE 66 -5.854 -2.461 -5.304 521 HG23 ILE 66 3HG2 ILE 66 -6.638 -1.320 -6.397 522 HD11 ILE 66 3HD1 ILE 66 -5.790 -2.982 -3.213 523 HD12 ILE 66 1HD1 ILE 66 -5.445 -2.332 -1.611 524 HD13 ILE 66 2HD1 ILE 66 -4.349 -1.999 -2.952 525 H ASN 67 H ASN 67 -5.496 2.030 -6.092 526 HA ASN 67 HA ASN 67 -5.761 1.046 -8.704 527 HB2 ASN 67 2HB ASN 67 -6.823 3.126 -7.772 528 HB3 ASN 67 1HB ASN 67 -5.261 3.923 -7.929 529 HD21 ASN 67 1HD2 ASN 67 -7.810 4.522 -9.206 530 HD22 ASN 67 2HD2 ASN 67 -7.519 4.462 -10.908 531 H ILE 68 H ILE 68 -3.078 2.761 -7.145 532 HA ILE 68 HA ILE 68 -1.519 2.983 -9.522 533 HB ILE 68 HB ILE 68 -0.647 3.156 -6.634 534 HG12 ILE 68 2HG1 ILE 68 -1.209 5.413 -8.562 535 HG13 ILE 68 1HG1 ILE 68 -2.411 4.798 -7.430 536 HG21 ILE 68 1HG2 ILE 68 0.750 4.013 -9.166 537 HG22 ILE 68 2HG2 ILE 68 1.242 2.714 -8.078 538 HG23 ILE 68 3HG2 ILE 68 1.292 4.390 -7.531 539 HD11 ILE 68 3HD1 ILE 68 -0.997 5.418 -5.564 540 HD12 ILE 68 1HD1 ILE 68 -1.297 6.809 -6.605 541 HD13 ILE 68 2HD1 ILE 68 0.254 5.974 -6.676 542 H PHE 69 H PHE 69 -1.269 0.848 -6.680 543 HA PHE 69 HA PHE 69 0.948 -0.615 -7.537 544 HB2 PHE 69 2HB PHE 69 0.081 -0.657 -5.230 545 HB3 PHE 69 1HB PHE 69 -1.325 -1.561 -5.782 546 HD1 PHE 69 2HD PHE 69 2.330 -1.699 -5.320 547 HD2 PHE 69 1HD PHE 69 -1.220 -3.897 -6.139 548 HE1 PHE 69 2HE PHE 69 3.561 -3.803 -4.987 549 HE2 PHE 69 1HE PHE 69 0.004 -6.006 -5.806 550 HZ PHE 69 HZ PHE 69 2.397 -5.962 -5.229 551 H GLN 70 H GLN 70 -2.516 -1.303 -7.998 552 HA GLN 70 HA GLN 70 -2.222 -3.806 -9.189 553 HB2 GLN 70 2HB GLN 70 -4.476 -3.570 -9.979 554 HB3 GLN 70 1HB GLN 70 -4.372 -2.837 -8.389 555 HG2 GLN 70 2HG GLN 70 -4.346 -0.631 -9.364 556 HG3 GLN 70 1HG GLN 70 -4.317 -1.319 -10.985 557 HE21 GLN 70 1HE2 GLN 70 -6.180 -3.457 -10.263 558 HE22 GLN 70 2HE2 GLN 70 -7.738 -2.717 -10.175 559 H LYS 71 H LYS 71 -2.550 -0.647 -10.778 560 HA LYS 71 HA LYS 71 -2.241 -1.663 -13.400 561 HB2 LYS 71 2HB LYS 71 -1.957 1.124 -12.284 562 HB3 LYS 71 1HB LYS 71 -1.915 0.747 -14.000 563 HG2 LYS 71 2HG LYS 71 -4.235 0.035 -12.230 564 HG3 LYS 71 1HG LYS 71 -4.115 1.566 -13.097 565 HD2 LYS 71 2HD LYS 71 -3.903 -1.101 -14.472 566 HD3 LYS 71 1HD LYS 71 -5.444 -0.277 -14.228 567 HE2 LYS 71 2HE LYS 71 -3.061 0.862 -15.685 568 HE3 LYS 71 1HE LYS 71 -4.486 0.162 -16.452 569 HZ1 LYS 71 3HZ LYS 71 -5.834 1.881 -15.399 570 HZ2 LYS 71 1HZ LYS 71 -4.638 2.562 -16.382 571 HZ3 LYS 71 2HZ LYS 71 -4.453 2.562 -14.702 572 H LEU 72 H LEU 72 0.075 -1.369 -10.980 573 HA LEU 72 HA LEU 72 2.198 -0.757 -12.927 574 HB2 LEU 72 2HB LEU 72 1.746 -0.196 -10.122 575 HB3 LEU 72 1HB LEU 72 3.339 -0.857 -10.418 576 HG LEU 72 HG LEU 72 3.368 1.574 -10.423 577 HD11 LEU 72 1HD1 LEU 72 4.487 1.928 -12.570 578 HD12 LEU 72 2HD1 LEU 72 3.823 0.404 -13.162 579 HD13 LEU 72 3HD1 LEU 72 4.973 0.405 -11.825 580 HD21 LEU 72 3HD2 LEU 72 1.454 1.350 -12.741 581 HD22 LEU 72 1HD2 LEU 72 2.241 2.836 -12.205 582 HD23 LEU 72 2HD2 LEU 72 1.097 2.011 -11.145 583 H ASN 73 H ASN 73 1.415 -3.147 -10.372 584 HA ASN 73 HA ASN 73 3.556 -4.802 -11.542 585 HB2 ASN 73 2HB ASN 73 2.803 -4.632 -8.628 586 HB3 ASN 73 1HB ASN 73 4.029 -5.696 -9.309 587 HD21 ASN 73 1HD2 ASN 73 4.259 -3.570 -7.318 588 HD22 ASN 73 2HD2 ASN 73 5.435 -2.467 -7.938 589 H TYR 74 H TYR 74 0.580 -5.076 -9.591 590 HA TYR 74 HA TYR 74 0.079 -7.633 -10.943 591 HB2 TYR 74 2HB TYR 74 0.245 -7.231 -7.975 592 HB3 TYR 74 1HB TYR 74 -0.677 -8.558 -8.674 593 HD1 TYR 74 1HD TYR 74 0.495 -10.296 -10.023 594 HD2 TYR 74 2HD TYR 74 2.626 -7.301 -7.880 595 HE1 TYR 74 1HE TYR 74 2.548 -11.637 -10.201 596 HE2 TYR 74 2HE TYR 74 4.685 -8.635 -8.053 597 HH TYR 74 HH TYR 74 4.965 -11.325 -10.123 598 H MET 75 H MET 75 -1.421 -5.882 -11.954 599 HA MET 75 HA MET 75 -3.636 -4.851 -10.687 600 HB2 MET 75 2HB MET 75 -3.026 -4.388 -13.034 601 HB3 MET 75 1HB MET 75 -3.536 -6.011 -13.477 602 HG2 MET 75 2HG MET 75 -5.824 -5.431 -12.683 603 HG3 MET 75 1HG MET 75 -5.266 -3.776 -12.452 604 HE1 MET 75 3HE MET 75 -4.417 -6.400 -15.264 605 HE2 MET 75 1HE MET 75 -5.541 -5.913 -16.532 606 HE3 MET 75 2HE MET 75 -6.153 -6.591 -15.023 607 H HIS 76 H HIS 76 -2.921 -8.149 -11.339 608 HA HIS 76 HA HIS 76 -5.641 -9.089 -11.180 609 HB2 HIS 76 2HB HIS 76 -3.001 -10.563 -11.099 610 HB3 HIS 76 1HB HIS 76 -4.578 -11.345 -11.129 611 HD1 HIS 76 1HD HIS 76 -1.960 -10.227 -13.346 612 HD2 HIS 76 2HD HIS 76 -6.093 -10.588 -13.557 613 HE1 HIS 76 1HE HIS 76 -2.549 -10.221 -15.806 614 H ILE 77 H ILE 77 -2.781 -9.266 -9.061 615 HA ILE 77 HA ILE 77 -4.067 -10.586 -6.929 616 HB ILE 77 HB ILE 77 -1.590 -8.865 -6.983 617 HG12 ILE 77 2HG1 ILE 77 -1.998 -11.860 -6.814 618 HG13 ILE 77 1HG1 ILE 77 -1.475 -10.974 -8.241 619 HG21 ILE 77 1HG2 ILE 77 -1.062 -9.757 -4.763 620 HG22 ILE 77 2HG2 ILE 77 -2.635 -10.554 -4.711 621 HG23 ILE 77 3HG2 ILE 77 -2.539 -8.793 -4.740 622 HD11 ILE 77 3HD1 ILE 77 0.032 -11.293 -5.658 623 HD12 ILE 77 1HD1 ILE 77 0.547 -10.272 -7.001 624 HD13 ILE 77 2HD1 ILE 77 0.419 -12.017 -7.219 625 H ALA 78 H ALA 78 -3.476 -7.139 -7.529 626 HA ALA 78 HA ALA 78 -4.357 -6.103 -5.116 627 HB1 ALA 78 1HB ALA 78 -3.243 -4.803 -6.887 628 HB2 ALA 78 2HB ALA 78 -4.699 -4.018 -6.276 629 HB3 ALA 78 3HB ALA 78 -4.733 -4.851 -7.829 630 H ASN 79 H ASN 79 -6.223 -7.317 -7.815 631 HA ASN 79 HA ASN 79 -8.699 -6.180 -7.345 632 HB2 ASN 79 2HB ASN 79 -8.046 -8.975 -8.297 633 HB3 ASN 79 1HB ASN 79 -9.646 -8.245 -8.386 634 HD21 ASN 79 1HD2 ASN 79 -7.900 -9.197 -10.514 635 HD22 ASN 79 2HD2 ASN 79 -7.647 -7.848 -11.564 636 H ALA 80 H ALA 80 -7.100 -8.774 -5.624 637 HA ALA 80 HA ALA 80 -9.391 -9.636 -4.164 638 HB1 ALA 80 1HB ALA 80 -7.451 -11.084 -4.516 639 HB2 ALA 80 2HB ALA 80 -7.810 -10.889 -2.801 640 HB3 ALA 80 3HB ALA 80 -6.468 -10.006 -3.526 641 H LEU 81 H LEU 81 -6.865 -7.255 -3.616 642 HA LEU 81 HA LEU 81 -7.499 -6.784 -0.877 643 HB2 LEU 81 2HB LEU 81 -5.966 -5.122 -2.873 644 HB3 LEU 81 1HB LEU 81 -6.094 -4.743 -1.166 645 HG LEU 81 HG LEU 81 -4.849 -7.259 -2.277 646 HD11 LEU 81 1HD1 LEU 81 -2.721 -6.273 -1.656 647 HD12 LEU 81 2HD1 LEU 81 -3.536 -4.803 -1.120 648 HD13 LEU 81 3HD1 LEU 81 -3.553 -5.249 -2.827 649 HD21 LEU 81 3HD2 LEU 81 -4.935 -6.139 0.522 650 HD22 LEU 81 1HD2 LEU 81 -4.035 -7.567 0.014 651 HD23 LEU 81 2HD2 LEU 81 -5.797 -7.564 -0.055 652 H GLU 82 H GLU 82 -8.274 -5.042 -3.887 653 HA GLU 82 HA GLU 82 -9.590 -2.871 -2.770 654 HB2 GLU 82 2HB GLU 82 -10.711 -2.601 -4.916 655 HB3 GLU 82 1HB GLU 82 -9.020 -3.021 -5.150 656 HG2 GLU 82 2HG GLU 82 -9.623 -5.305 -5.655 657 HG3 GLU 82 1HG GLU 82 -11.320 -4.952 -5.335 658 H GLU 83 H GLU 83 -10.700 -6.151 -3.219 659 HA GLU 83 HA GLU 83 -13.469 -5.660 -2.891 660 HB2 GLU 83 2HB GLU 83 -12.588 -7.750 -3.842 661 HB3 GLU 83 1HB GLU 83 -11.885 -8.165 -2.285 662 HG2 GLU 83 2HG GLU 83 -14.151 -8.202 -1.311 663 HG3 GLU 83 1HG GLU 83 -14.814 -7.888 -2.914 664 H LYS 84 H LYS 84 -10.848 -6.321 -0.635 665 HA LYS 84 HA LYS 84 -12.383 -6.727 1.677 666 HB2 LYS 84 2HB LYS 84 -9.961 -7.234 1.483 667 HB3 LYS 84 1HB LYS 84 -9.622 -5.510 1.476 668 HG2 LYS 84 2HG LYS 84 -9.206 -6.363 3.667 669 HG3 LYS 84 1HG LYS 84 -10.648 -5.348 3.727 670 HD2 LYS 84 2HD LYS 84 -11.029 -7.344 5.027 671 HD3 LYS 84 1HD LYS 84 -12.040 -7.393 3.583 672 HE2 LYS 84 2HE LYS 84 -10.969 -9.562 4.070 673 HE3 LYS 84 1HE LYS 84 -10.497 -8.906 2.502 674 HZ1 LYS 84 3HZ LYS 84 -8.888 -8.739 4.995 675 HZ2 LYS 84 1HZ LYS 84 -8.433 -8.134 3.481 676 HZ3 LYS 84 2HZ LYS 84 -8.603 -9.800 3.710 677 H LYS 85 H LYS 85 -11.423 -3.821 0.006 678 HA LYS 85 HA LYS 85 -11.714 -1.908 1.987 679 HB2 LYS 85 2HB LYS 85 -10.881 -1.417 -0.274 680 HB3 LYS 85 1HB LYS 85 -12.496 -1.667 -0.924 681 HG2 LYS 85 2HG LYS 85 -13.326 0.235 0.334 682 HG3 LYS 85 1HG LYS 85 -11.735 0.467 1.062 683 HD2 LYS 85 2HD LYS 85 -12.021 2.040 -0.745 684 HD3 LYS 85 1HD LYS 85 -10.802 0.849 -1.201 685 HE2 LYS 85 2HE LYS 85 -12.503 -0.374 -2.487 686 HE3 LYS 85 1HE LYS 85 -13.696 0.850 -2.053 687 HZ1 LYS 85 3HZ LYS 85 -12.783 1.235 -4.257 688 HZ2 LYS 85 1HZ LYS 85 -11.220 1.339 -3.618 689 HZ3 LYS 85 2HZ LYS 85 -12.378 2.503 -3.214 690 H LYS 86 H LYS 86 -14.181 -3.576 0.117 691 HA LYS 86 HA LYS 86 -16.389 -1.989 0.722 692 HB2 LYS 86 2HB LYS 86 -16.265 -4.987 0.342 693 HB3 LYS 86 1HB LYS 86 -17.740 -4.032 0.322 694 HG2 LYS 86 2HG LYS 86 -15.451 -3.651 -1.595 695 HG3 LYS 86 1HG LYS 86 -16.885 -4.623 -1.928 696 HD2 LYS 86 2HD LYS 86 -18.297 -2.651 -1.645 697 HD3 LYS 86 1HD LYS 86 -16.872 -1.676 -1.281 698 HE2 LYS 86 2HE LYS 86 -17.608 -1.394 -3.604 699 HE3 LYS 86 1HE LYS 86 -15.991 -2.090 -3.504 700 HZ1 LYS 86 3HZ LYS 86 -18.493 -3.622 -3.969 701 HZ2 LYS 86 1HZ LYS 86 -16.930 -4.269 -3.913 702 HZ3 LYS 86 2HZ LYS 86 -17.364 -3.210 -5.159 703 H GLU 87 H GLU 87 -14.849 -4.563 2.568 704 HA GLU 87 HA GLU 87 -16.826 -4.570 4.644 705 HB2 GLU 87 2HB GLU 87 -15.461 -6.556 4.107 706 HB3 GLU 87 1HB GLU 87 -14.020 -5.698 4.633 707 HG2 GLU 87 2HG GLU 87 -14.913 -5.564 6.894 708 HG3 GLU 87 1HG GLU 87 -16.377 -6.395 6.371 709 H ALA 88 H ALA 88 -13.851 -2.883 4.008 710 HA ALA 88 HA ALA 88 -13.225 -2.000 6.595 711 HB1 ALA 88 1HB ALA 88 -11.924 -0.251 5.499 712 HB2 ALA 88 2HB ALA 88 -12.735 -0.594 3.970 713 HB3 ALA 88 3HB ALA 88 -11.685 -1.807 4.703 714 H GLU 89 H GLU 89 -15.615 -0.950 4.302 715 HA GLU 89 HA GLU 89 -16.151 1.625 5.210 716 HB2 GLU 89 2HB GLU 89 -18.125 -0.395 4.130 717 HB3 GLU 89 1HB GLU 89 -18.368 1.344 4.206 718 HG2 GLU 89 2HG GLU 89 -16.283 -0.082 2.570 719 HG3 GLU 89 1HG GLU 89 -17.773 0.637 1.963 720 H ARG 90 H ARG 90 -17.775 -1.412 6.167 721 HA ARG 90 HA ARG 90 -19.327 -0.173 8.194 722 HB2 ARG 90 2HB ARG 90 -19.837 -2.476 8.925 723 HB3 ARG 90 1HB ARG 90 -20.059 -2.254 7.195 724 HG2 ARG 90 2HG ARG 90 -17.968 -3.369 6.740 725 HG3 ARG 90 1HG ARG 90 -17.633 -3.503 8.468 726 HD2 ARG 90 2HD ARG 90 -19.964 -4.765 7.028 727 HD3 ARG 90 1HD ARG 90 -18.494 -5.602 7.526 728 HE ARG 90 HE ARG 90 -19.586 -4.382 9.781 729 HH11 ARG 90 1HH1 ARG 90 -20.403 -6.898 7.513 730 HH12 ARG 90 2HH1 ARG 90 -21.328 -7.808 8.661 731 HH21 ARG 90 1HH2 ARG 90 -20.800 -5.572 11.296 732 HH22 ARG 90 2HH2 ARG 90 -21.556 -7.053 10.811 733 H LYS 91 H LYS 91 -16.080 -1.312 8.085 734 HA LYS 91 HA LYS 91 -15.732 -1.794 10.868 735 HB2 LYS 91 2HB LYS 91 -13.788 -1.231 8.633 736 HB3 LYS 91 1HB LYS 91 -13.266 -1.502 10.290 737 HG2 LYS 91 2HG LYS 91 -14.330 -3.717 10.243 738 HG3 LYS 91 1HG LYS 91 -14.791 -3.442 8.562 739 HD2 LYS 91 2HD LYS 91 -12.797 -4.771 8.581 740 HD3 LYS 91 1HD LYS 91 -12.372 -3.154 8.019 741 HE2 LYS 91 2HE LYS 91 -10.705 -3.956 9.586 742 HE3 LYS 91 1HE LYS 91 -11.582 -2.592 10.278 743 HZ1 LYS 91 3HZ LYS 91 -11.321 -4.307 11.919 744 HZ2 LYS 91 1HZ LYS 91 -12.016 -5.464 10.898 745 HZ3 LYS 91 2HZ LYS 91 -12.958 -4.198 11.505 746 H LEU 92 H LEU 92 -15.007 0.985 8.776 747 HA LEU 92 HA LEU 92 -14.175 2.596 11.021 748 HB2 LEU 92 2HB LEU 92 -14.615 3.286 8.117 749 HB3 LEU 92 1HB LEU 92 -13.979 4.398 9.314 750 HG LEU 92 HG LEU 92 -12.651 1.802 8.531 751 HD11 LEU 92 1HD1 LEU 92 -11.041 3.218 7.336 752 HD12 LEU 92 2HD1 LEU 92 -12.040 4.629 7.681 753 HD13 LEU 92 3HD1 LEU 92 -12.663 3.339 6.652 754 HD21 LEU 92 3HD2 LEU 92 -11.675 4.137 10.174 755 HD22 LEU 92 1HD2 LEU 92 -10.724 2.723 9.721 756 HD23 LEU 92 2HD2 LEU 92 -12.114 2.544 10.792 757 H MET 93 H MET 93 -17.087 1.552 10.207 758 HA MET 93 HA MET 93 -18.611 3.981 10.190 759 HB2 MET 93 2HB MET 93 -19.409 1.876 9.139 760 HB3 MET 93 1HB MET 93 -19.528 1.151 10.737 761 HG2 MET 93 2HG MET 93 -21.205 2.799 11.372 762 HG3 MET 93 1HG MET 93 -21.075 3.551 9.783 763 HE1 MET 93 3HE MET 93 -21.852 2.404 7.529 764 HE2 MET 93 1HE MET 93 -22.477 0.757 7.432 765 HE3 MET 93 2HE MET 93 -20.790 1.037 7.864 766 H THR 94 H THR 94 -17.598 1.637 12.598 767 HA THR 94 HA THR 94 -19.241 2.575 14.711 768 HB THR 94 HB THR 94 -17.754 1.310 16.197 769 HG1 THR 94 1HG THR 94 -15.747 1.040 15.608 770 HG21 THR 94 3HG2 THR 94 -19.476 0.095 14.953 771 HG22 THR 94 1HG2 THR 94 -18.040 -0.903 15.181 772 HG23 THR 94 2HG2 THR 94 -18.350 -0.146 13.618 773 H ASN 95 H ASN 95 -18.470 3.644 16.676 774 HA ASN 95 HA ASN 95 -16.269 5.530 16.166 775 HB2 ASN 95 2HB ASN 95 -17.589 7.267 17.374 776 HB3 ASN 95 1HB ASN 95 -18.318 6.763 15.855 777 HD21 ASN 95 1HD2 ASN 95 -19.508 8.003 18.222 778 HD22 ASN 95 2HD2 ASN 95 -20.774 6.941 18.726 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -10.014 -0.847 14.190 2 H2 MET 1 2HT MET 1 -9.451 -1.866 15.417 3 H3 MET 1 3HT MET 1 -9.311 -2.337 13.799 4 HA MET 1 HA MET 1 -7.943 -0.017 15.030 5 HB2 MET 1 2HB MET 1 -6.809 -2.682 14.157 6 HB3 MET 1 1HB MET 1 -5.899 -1.339 14.838 7 HG2 MET 1 2HG MET 1 -7.089 -1.576 16.942 8 HG3 MET 1 1HG MET 1 -8.046 -2.892 16.265 9 HE1 MET 1 2HE MET 1 -4.487 -1.743 17.465 10 HE2 MET 1 3HE MET 1 -4.224 -2.116 15.762 11 HE3 MET 1 1HE MET 1 -3.497 -3.130 17.008 12 H GLU 2 H GLU 2 -7.758 1.501 13.527 13 HA GLU 2 HA GLU 2 -8.018 1.036 10.751 14 HB2 GLU 2 2HB GLU 2 -7.303 3.393 10.502 15 HB3 GLU 2 1HB GLU 2 -8.586 3.192 11.688 16 HG2 GLU 2 2HG GLU 2 -6.950 3.336 13.490 17 HG3 GLU 2 1HG GLU 2 -5.657 3.521 12.306 18 H SER 3 H SER 3 -5.252 1.248 12.889 19 HA SER 3 HA SER 3 -3.230 1.587 10.987 20 HB2 SER 3 2HB SER 3 -1.714 0.672 12.699 21 HB3 SER 3 1HB SER 3 -2.840 1.838 13.394 22 HG SER 3 HG SER 3 -2.601 -0.876 13.832 23 H GLU 4 H GLU 4 -5.118 -1.195 11.813 24 HA GLU 4 HA GLU 4 -3.320 -3.139 10.727 25 HB2 GLU 4 2HB GLU 4 -4.986 -3.728 12.434 26 HB3 GLU 4 1HB GLU 4 -6.280 -3.337 11.310 27 HG2 GLU 4 2HG GLU 4 -5.563 -5.139 9.839 28 HG3 GLU 4 1HG GLU 4 -4.244 -5.524 10.944 29 H TYR 5 H TYR 5 -6.262 -1.542 9.551 30 HA TYR 5 HA TYR 5 -6.487 -2.901 7.117 31 HB2 TYR 5 2HB TYR 5 -8.300 -1.546 7.981 32 HB3 TYR 5 1HB TYR 5 -7.317 -0.092 7.863 33 HD1 TYR 5 1HD TYR 5 -8.621 -2.845 5.693 34 HD2 TYR 5 2HD TYR 5 -7.601 1.273 6.020 35 HE1 TYR 5 1HE TYR 5 -9.487 -2.456 3.424 36 HE2 TYR 5 2HE TYR 5 -8.464 1.673 3.753 37 HH TYR 5 HH TYR 5 -10.399 -0.506 2.111 38 H ARG 6 H ARG 6 -4.421 -0.264 8.079 39 HA ARG 6 HA ARG 6 -3.664 0.413 5.376 40 HB2 ARG 6 2HB ARG 6 -2.333 1.273 7.943 41 HB3 ARG 6 1HB ARG 6 -2.229 2.057 6.373 42 HG2 ARG 6 2HG ARG 6 -4.523 2.733 6.488 43 HG3 ARG 6 1HG ARG 6 -4.772 1.794 7.959 44 HD2 ARG 6 2HD ARG 6 -3.043 4.235 7.615 45 HD3 ARG 6 1HD ARG 6 -4.523 4.100 8.563 46 HE ARG 6 HE ARG 6 -2.538 2.254 9.437 47 HH11 ARG 6 1HH1 ARG 6 -3.516 5.594 9.607 48 HH12 ARG 6 2HH1 ARG 6 -2.731 5.879 11.125 49 HH21 ARG 6 1HH2 ARG 6 -1.499 2.622 11.430 50 HH22 ARG 6 2HH2 ARG 6 -1.583 4.192 12.159 51 H GLU 7 H GLU 7 -1.908 -0.890 8.187 52 HA GLU 7 HA GLU 7 0.498 -1.428 6.903 53 HB2 GLU 7 2HB GLU 7 0.269 -1.422 9.322 54 HB3 GLU 7 1HB GLU 7 -0.771 -2.838 9.250 55 HG2 GLU 7 2HG GLU 7 1.076 -4.172 8.402 56 HG3 GLU 7 1HG GLU 7 2.123 -2.753 8.427 57 H MET 8 H MET 8 -2.168 -3.716 7.549 58 HA MET 8 HA MET 8 -0.962 -5.931 6.317 59 HB2 MET 8 2HB MET 8 -3.920 -5.395 6.564 60 HB3 MET 8 1HB MET 8 -3.144 -6.962 6.375 61 HG2 MET 8 2HG MET 8 -2.799 -5.135 8.736 62 HG3 MET 8 1HG MET 8 -3.886 -6.519 8.671 63 HE1 MET 8 3HE MET 8 -1.831 -6.142 10.955 64 HE2 MET 8 1HE MET 8 -1.010 -7.698 11.079 65 HE3 MET 8 2HE MET 8 -2.760 -7.638 10.867 66 H LEU 9 H LEU 9 -3.384 -3.670 5.039 67 HA LEU 9 HA LEU 9 -3.723 -4.854 2.544 68 HB2 LEU 9 2HB LEU 9 -5.160 -3.103 3.527 69 HB3 LEU 9 1HB LEU 9 -3.899 -1.925 3.223 70 HG LEU 9 HG LEU 9 -4.914 -3.494 0.903 71 HD11 LEU 9 1HD1 LEU 9 -6.968 -2.876 2.031 72 HD12 LEU 9 2HD1 LEU 9 -6.749 -1.887 0.588 73 HD13 LEU 9 3HD1 LEU 9 -6.411 -1.210 2.182 74 HD21 LEU 9 3HD2 LEU 9 -3.158 -2.006 0.407 75 HD22 LEU 9 1HD2 LEU 9 -3.864 -0.720 1.387 76 HD23 LEU 9 2HD2 LEU 9 -4.626 -1.190 -0.131 77 H LEU 10 H LEU 10 -1.208 -2.676 3.666 78 HA LEU 10 HA LEU 10 -0.208 -2.177 1.012 79 HB2 LEU 10 2HB LEU 10 0.476 -1.320 3.752 80 HB3 LEU 10 1HB LEU 10 1.803 -1.357 2.608 81 HG LEU 10 HG LEU 10 0.789 0.868 2.748 82 HD11 LEU 10 1HD1 LEU 10 0.281 -0.497 0.109 83 HD12 LEU 10 2HD1 LEU 10 1.821 0.168 0.653 84 HD13 LEU 10 3HD1 LEU 10 0.451 1.241 0.362 85 HD21 LEU 10 3HD2 LEU 10 -1.483 1.222 1.834 86 HD22 LEU 10 1HD2 LEU 10 -1.477 0.290 3.331 87 HD23 LEU 10 2HD2 LEU 10 -1.705 -0.526 1.785 88 H LEU 11 H LEU 11 1.131 -3.891 3.853 89 HA LEU 11 HA LEU 11 3.425 -4.848 2.623 90 HB2 LEU 11 2HB LEU 11 3.524 -6.519 4.390 91 HB3 LEU 11 1HB LEU 11 3.113 -4.938 5.019 92 HG LEU 11 HG LEU 11 0.645 -5.839 4.822 93 HD11 LEU 11 1HD1 LEU 11 1.076 -7.926 3.755 94 HD12 LEU 11 2HD1 LEU 11 0.597 -8.267 5.417 95 HD13 LEU 11 3HD1 LEU 11 2.296 -8.353 4.953 96 HD21 LEU 11 3HD2 LEU 11 0.808 -6.622 7.138 97 HD22 LEU 11 1HD2 LEU 11 1.722 -5.135 6.883 98 HD23 LEU 11 2HD2 LEU 11 2.565 -6.681 6.989 99 H THR 12 H THR 12 0.161 -5.917 2.239 100 HA THR 12 HA THR 12 0.547 -8.567 1.442 101 HB THR 12 HB THR 12 -1.524 -6.622 0.396 102 HG1 THR 12 1HG THR 12 -2.684 -7.147 2.151 103 HG21 THR 12 3HG2 THR 12 -2.857 -8.643 -0.056 104 HG22 THR 12 1HG2 THR 12 -1.486 -9.644 0.424 105 HG23 THR 12 2HG2 THR 12 -1.368 -8.614 -1.002 106 H GLY 13 H GLY 13 1.331 -5.620 -0.181 107 HA2 GLY 13 2HA GLY 13 1.739 -7.076 -2.711 108 HA3 GLY 13 1HA GLY 13 1.580 -5.334 -2.567 109 H LEU 14 H LEU 14 3.399 -4.962 -0.392 110 HA LEU 14 HA LEU 14 5.806 -4.665 -1.775 111 HB2 LEU 14 2HB LEU 14 5.135 -4.656 1.151 112 HB3 LEU 14 1HB LEU 14 6.792 -4.486 0.614 113 HG LEU 14 HG LEU 14 5.941 -2.305 1.064 114 HD11 LEU 14 1HD1 LEU 14 5.954 -2.746 -1.919 115 HD12 LEU 14 2HD1 LEU 14 7.370 -2.480 -0.903 116 HD13 LEU 14 3HD1 LEU 14 6.172 -1.202 -1.095 117 HD21 LEU 14 3HD2 LEU 14 3.954 -1.408 -0.064 118 HD22 LEU 14 1HD2 LEU 14 3.568 -2.783 0.970 119 HD23 LEU 14 2HD2 LEU 14 3.654 -2.992 -0.779 120 H ASP 15 H ASP 15 4.871 -7.135 0.604 121 HA ASP 15 HA ASP 15 7.354 -8.563 0.279 122 HB2 ASP 15 2HB ASP 15 6.119 -8.456 2.445 123 HB3 ASP 15 1HB ASP 15 4.841 -9.429 1.723 124 H HIS 16 H HIS 16 4.851 -8.281 -1.749 125 HA HIS 16 HA HIS 16 5.026 -11.089 -2.627 126 HB2 HIS 16 2HB HIS 16 2.725 -9.193 -2.547 127 HB3 HIS 16 1HB HIS 16 2.788 -10.372 -3.853 128 HD1 HIS 16 1HD HIS 16 2.237 -10.091 -0.164 129 HD2 HIS 16 2HD HIS 16 2.454 -13.035 -3.087 130 HE1 HIS 16 1HE HIS 16 1.337 -12.205 0.891 131 H ILE 17 H ILE 17 6.714 -8.703 -3.306 132 HA ILE 17 HA ILE 17 6.488 -8.991 -6.218 133 HB ILE 17 HB ILE 17 7.106 -6.596 -6.502 134 HG12 ILE 17 2HG1 ILE 17 6.410 -6.416 -3.560 135 HG13 ILE 17 1HG1 ILE 17 8.026 -6.243 -4.233 136 HG21 ILE 17 1HG2 ILE 17 4.853 -5.730 -6.109 137 HG22 ILE 17 2HG2 ILE 17 4.501 -7.114 -5.073 138 HG23 ILE 17 3HG2 ILE 17 4.810 -7.355 -6.792 139 HD11 ILE 17 3HD1 ILE 17 7.301 -4.251 -5.448 140 HD12 ILE 17 1HD1 ILE 17 7.060 -4.084 -3.709 141 HD13 ILE 17 2HD1 ILE 17 5.687 -4.426 -4.759 142 H THR 18 H THR 18 8.432 -8.863 -7.357 143 HA THR 18 HA THR 18 10.716 -9.813 -6.010 144 HB THR 18 HB THR 18 11.898 -9.548 -8.139 145 HG1 THR 18 1HG THR 18 11.078 -7.615 -8.906 146 HG21 THR 18 3HG2 THR 18 9.074 -10.559 -8.498 147 HG22 THR 18 1HG2 THR 18 10.428 -11.486 -7.848 148 HG23 THR 18 2HG2 THR 18 10.450 -10.952 -9.529 149 H GLU 19 H GLU 19 12.934 -8.638 -6.655 150 HA GLU 19 HA GLU 19 13.041 -6.326 -5.015 151 HB2 GLU 19 2HB GLU 19 15.133 -7.465 -6.875 152 HB3 GLU 19 1HB GLU 19 15.423 -6.255 -5.633 153 HG2 GLU 19 2HG GLU 19 14.462 -9.066 -5.148 154 HG3 GLU 19 1HG GLU 19 16.112 -8.489 -4.925 155 H GLU 20 H GLU 20 13.336 -6.806 -8.522 156 HA GLU 20 HA GLU 20 13.913 -4.143 -9.191 157 HB2 GLU 20 2HB GLU 20 13.136 -4.757 -11.467 158 HB3 GLU 20 1HB GLU 20 14.278 -5.910 -10.788 159 HG2 GLU 20 2HG GLU 20 12.446 -7.414 -10.232 160 HG3 GLU 20 1HG GLU 20 11.288 -6.253 -10.879 161 H GLU 21 H GLU 21 10.809 -5.848 -8.973 162 HA GLU 21 HA GLU 21 9.234 -3.633 -9.798 163 HB2 GLU 21 2HB GLU 21 8.396 -6.008 -8.124 164 HB3 GLU 21 1HB GLU 21 7.331 -4.933 -9.018 165 HG2 GLU 21 2HG GLU 21 9.395 -6.759 -10.226 166 HG3 GLU 21 1HG GLU 21 7.660 -7.060 -10.165 167 H LEU 22 H LEU 22 10.584 -4.651 -6.769 168 HA LEU 22 HA LEU 22 8.926 -3.186 -5.020 169 HB2 LEU 22 2HB LEU 22 10.439 -5.014 -4.327 170 HB3 LEU 22 1HB LEU 22 11.816 -3.985 -4.668 171 HG LEU 22 HG LEU 22 11.020 -2.412 -2.908 172 HD11 LEU 22 1HD1 LEU 22 9.046 -4.613 -2.315 173 HD12 LEU 22 2HD1 LEU 22 8.655 -3.012 -2.942 174 HD13 LEU 22 3HD1 LEU 22 9.333 -3.183 -1.323 175 HD21 LEU 22 3HD2 LEU 22 11.686 -3.831 -1.020 176 HD22 LEU 22 1HD2 LEU 22 12.742 -4.049 -2.414 177 HD23 LEU 22 2HD2 LEU 22 11.514 -5.259 -2.042 178 H LYS 23 H LYS 23 11.852 -2.351 -6.789 179 HA LYS 23 HA LYS 23 12.188 0.199 -5.536 180 HB2 LYS 23 2HB LYS 23 13.332 -0.892 -8.112 181 HB3 LYS 23 1HB LYS 23 13.842 0.599 -7.333 182 HG2 LYS 23 2HG LYS 23 14.615 -0.647 -5.399 183 HG3 LYS 23 1HG LYS 23 14.052 -2.153 -6.129 184 HD2 LYS 23 2HD LYS 23 16.434 -1.947 -6.464 185 HD3 LYS 23 1HD LYS 23 15.612 -1.772 -8.015 186 HE2 LYS 23 2HE LYS 23 15.829 0.648 -7.877 187 HE3 LYS 23 1HE LYS 23 16.596 0.503 -6.296 188 HZ1 LYS 23 3HZ LYS 23 17.683 -0.563 -8.845 189 HZ2 LYS 23 1HZ LYS 23 18.422 -0.691 -7.329 190 HZ3 LYS 23 2HZ LYS 23 18.224 0.827 -8.050 191 H ARG 24 H ARG 24 10.473 -0.989 -8.335 192 HA ARG 24 HA ARG 24 10.101 1.484 -9.652 193 HB2 ARG 24 2HB ARG 24 8.558 -1.106 -9.728 194 HB3 ARG 24 1HB ARG 24 8.139 0.279 -10.728 195 HG2 ARG 24 2HG ARG 24 10.338 0.203 -11.775 196 HG3 ARG 24 1HG ARG 24 10.779 -1.171 -10.758 197 HD2 ARG 24 2HD ARG 24 10.078 -1.829 -13.039 198 HD3 ARG 24 1HD ARG 24 9.074 -2.533 -11.773 199 HE ARG 24 HE ARG 24 7.825 -0.192 -12.553 200 HH11 ARG 24 1HH1 ARG 24 8.744 -3.215 -14.029 201 HH12 ARG 24 2HH1 ARG 24 7.443 -3.198 -15.172 202 HH21 ARG 24 1HH2 ARG 24 6.109 -0.169 -14.051 203 HH22 ARG 24 2HH2 ARG 24 5.945 -1.469 -15.182 204 H PHE 25 H PHE 25 7.934 -0.348 -7.488 205 HA PHE 25 HA PHE 25 5.816 1.440 -7.446 206 HB2 PHE 25 2HB PHE 25 5.616 -0.770 -6.476 207 HB3 PHE 25 1HB PHE 25 6.823 -0.385 -5.255 208 HD1 PHE 25 1HD PHE 25 3.429 0.521 -6.449 209 HD2 PHE 25 2HD PHE 25 6.204 0.569 -3.221 210 HE1 PHE 25 1HE PHE 25 1.651 1.301 -4.936 211 HE2 PHE 25 2HE PHE 25 4.430 1.347 -1.704 212 HZ PHE 25 HZ PHE 25 2.151 1.714 -2.560 213 H LYS 26 H LYS 26 8.802 1.464 -5.582 214 HA LYS 26 HA LYS 26 8.066 3.519 -3.786 215 HB2 LYS 26 2HB LYS 26 10.700 2.386 -4.683 216 HB3 LYS 26 1HB LYS 26 10.633 3.766 -3.595 217 HG2 LYS 26 2HG LYS 26 9.188 1.204 -2.999 218 HG3 LYS 26 1HG LYS 26 10.875 1.463 -2.550 219 HD2 LYS 26 2HD LYS 26 10.229 3.428 -1.251 220 HD3 LYS 26 1HD LYS 26 8.544 3.187 -1.717 221 HE2 LYS 26 2HE LYS 26 8.466 1.089 -0.547 222 HE3 LYS 26 1HE LYS 26 10.192 1.171 -0.202 223 HZ1 LYS 26 3HZ LYS 26 8.848 1.818 1.709 224 HZ2 LYS 26 1HZ LYS 26 8.151 3.073 0.814 225 HZ3 LYS 26 2HZ LYS 26 9.804 3.106 1.174 226 H TYR 27 H TYR 27 9.371 3.546 -7.029 227 HA TYR 27 HA TYR 27 10.178 6.282 -7.012 228 HB2 TYR 27 2HB TYR 27 11.116 4.594 -8.566 229 HB3 TYR 27 1HB TYR 27 9.554 4.498 -9.373 230 HD1 TYR 27 2HD TYR 27 12.553 6.535 -8.850 231 HD2 TYR 27 1HD TYR 27 8.795 6.288 -10.830 232 HE1 TYR 27 2HE TYR 27 13.219 8.380 -10.333 233 HE2 TYR 27 1HE TYR 27 9.451 8.132 -12.319 234 HH TYR 27 HH TYR 27 11.018 10.018 -12.338 235 H PHE 28 H PHE 28 7.361 4.601 -8.411 236 HA PHE 28 HA PHE 28 6.142 6.979 -9.365 237 HB2 PHE 28 2HB PHE 28 5.061 4.204 -8.893 238 HB3 PHE 28 1HB PHE 28 4.097 5.505 -9.585 239 HD1 PHE 28 1HD PHE 28 4.641 6.416 -11.792 240 HD2 PHE 28 2HD PHE 28 6.750 3.096 -10.168 241 HE1 PHE 28 1HE PHE 28 5.521 5.885 -14.029 242 HE2 PHE 28 2HE PHE 28 7.635 2.559 -12.401 243 HZ PHE 28 HZ PHE 28 7.021 3.955 -14.334 244 H ALA 29 H ALA 29 5.302 4.889 -6.582 245 HA ALA 29 HA ALA 29 3.219 6.488 -5.615 246 HB1 ALA 29 1HB ALA 29 3.587 4.193 -4.875 247 HB2 ALA 29 2HB ALA 29 3.501 5.298 -3.502 248 HB3 ALA 29 3HB ALA 29 5.063 4.689 -4.049 249 H LEU 30 H LEU 30 6.625 6.384 -4.545 250 HA LEU 30 HA LEU 30 6.199 8.896 -3.102 251 HB2 LEU 30 2HB LEU 30 8.636 7.120 -3.083 252 HB3 LEU 30 1HB LEU 30 8.275 8.433 -1.977 253 HG LEU 30 HG LEU 30 6.473 6.039 -2.170 254 HD11 LEU 30 1HD1 LEU 30 8.699 5.173 -1.749 255 HD12 LEU 30 2HD1 LEU 30 7.707 5.059 -0.296 256 HD13 LEU 30 3HD1 LEU 30 8.921 6.330 -0.437 257 HD21 LEU 30 3HD2 LEU 30 5.594 7.975 -1.013 258 HD22 LEU 30 1HD2 LEU 30 7.042 8.066 -0.011 259 HD23 LEU 30 2HD2 LEU 30 5.946 6.693 0.146 260 H THR 31 H THR 31 6.186 10.379 -4.805 261 HA THR 31 HA THR 31 8.511 10.494 -6.561 262 HB THR 31 HB THR 31 7.327 12.307 -7.713 263 HG1 THR 31 1HG THR 31 5.784 13.332 -6.700 264 HG21 THR 31 3HG2 THR 31 6.866 10.002 -8.374 265 HG22 THR 31 1HG2 THR 31 5.421 11.000 -8.540 266 HG23 THR 31 2HG2 THR 31 5.584 9.903 -7.167 267 H GLU 32 H GLU 32 6.821 12.626 -4.267 268 HA GLU 32 HA GLU 32 9.143 14.402 -4.218 269 HB2 GLU 32 2HB GLU 32 6.397 14.734 -3.005 270 HB3 GLU 32 1HB GLU 32 7.675 15.941 -2.971 271 HG2 GLU 32 2HG GLU 32 7.627 16.043 -5.419 272 HG3 GLU 32 1HG GLU 32 6.317 14.865 -5.432 273 H PHE 33 H PHE 33 7.976 11.774 -2.488 274 HA PHE 33 HA PHE 33 8.747 12.683 0.133 275 HB2 PHE 33 2HB PHE 33 8.059 9.919 -0.880 276 HB3 PHE 33 1HB PHE 33 8.319 10.334 0.812 277 HD1 PHE 33 2HD PHE 33 6.797 12.084 1.851 278 HD2 PHE 33 1HD PHE 33 5.960 10.178 -1.861 279 HE1 PHE 33 2HE PHE 33 4.432 12.723 2.061 280 HE2 PHE 33 1HE PHE 33 3.592 10.818 -1.660 281 HZ PHE 33 HZ PHE 33 2.826 12.091 0.305 282 H GLN 34 H GLN 34 10.302 11.127 -2.527 283 HA GLN 34 HA GLN 34 12.369 10.176 -2.806 284 HB2 GLN 34 2HB GLN 34 13.044 12.490 -0.983 285 HB3 GLN 34 1HB GLN 34 14.197 11.625 -1.989 286 HG2 GLN 34 2HG GLN 34 13.067 12.366 -3.989 287 HG3 GLN 34 1HG GLN 34 11.818 13.150 -3.024 288 HE21 GLN 34 1HE2 GLN 34 15.194 13.182 -2.149 289 HE22 GLN 34 2HE2 GLN 34 15.458 14.862 -2.448 290 H ILE 35 H ILE 35 10.939 8.852 -0.720 291 HA ILE 35 HA ILE 35 12.350 8.534 1.657 292 HB ILE 35 HB ILE 35 10.523 6.700 0.141 293 HG12 ILE 35 2HG1 ILE 35 10.358 8.134 2.802 294 HG13 ILE 35 1HG1 ILE 35 9.530 8.591 1.319 295 HG21 ILE 35 1HG2 ILE 35 10.580 5.154 2.080 296 HG22 ILE 35 2HG2 ILE 35 11.965 6.048 2.708 297 HG23 ILE 35 3HG2 ILE 35 12.089 5.193 1.170 298 HD11 ILE 35 3HD1 ILE 35 8.050 7.493 2.929 299 HD12 ILE 35 1HD1 ILE 35 9.054 6.047 2.857 300 HD13 ILE 35 2HD1 ILE 35 8.179 6.587 1.425 301 H ALA 36 H ALA 36 14.067 7.355 2.301 302 HA ALA 36 HA ALA 36 16.059 6.669 0.452 303 HB1 ALA 36 1HB ALA 36 16.500 7.305 2.784 304 HB2 ALA 36 2HB ALA 36 17.288 5.791 2.343 305 HB3 ALA 36 3HB ALA 36 15.819 5.769 3.319 306 H ARG 37 H ARG 37 16.858 4.723 -0.277 307 HA ARG 37 HA ARG 37 14.979 2.674 -0.791 308 HB2 ARG 37 2HB ARG 37 16.777 3.148 -2.348 309 HB3 ARG 37 1HB ARG 37 17.981 2.743 -1.134 310 HG2 ARG 37 2HG ARG 37 17.764 0.942 -2.721 311 HG3 ARG 37 1HG ARG 37 17.183 0.419 -1.139 312 HD2 ARG 37 2HD ARG 37 15.664 -0.373 -2.822 313 HD3 ARG 37 1HD ARG 37 14.868 0.893 -1.888 314 HE ARG 37 HE ARG 37 16.154 1.729 -4.353 315 HH11 ARG 37 1HH1 ARG 37 13.215 0.801 -2.730 316 HH12 ARG 37 2HH1 ARG 37 12.179 1.500 -3.929 317 HH21 ARG 37 1HH2 ARG 37 14.798 2.644 -5.946 318 HH22 ARG 37 2HH2 ARG 37 13.079 2.545 -5.759 319 H SER 38 H SER 38 17.434 3.107 1.658 320 HA SER 38 HA SER 38 17.643 0.449 2.549 321 HB2 SER 38 2HB SER 38 18.536 1.418 4.631 322 HB3 SER 38 1HB SER 38 19.240 2.191 3.211 323 HG SER 38 HG SER 38 17.074 3.212 4.739 324 H THR 39 H THR 39 15.249 2.903 3.081 325 HA THR 39 HA THR 39 14.039 2.020 5.422 326 HB THR 39 HB THR 39 12.573 3.180 3.051 327 HG1 THR 39 1HG THR 39 13.766 4.651 5.169 328 HG21 THR 39 3HG2 THR 39 11.152 2.357 4.883 329 HG22 THR 39 1HG2 THR 39 11.084 4.113 4.741 330 HG23 THR 39 2HG2 THR 39 12.043 3.369 6.018 331 H LEU 40 H LEU 40 14.072 0.559 2.306 332 HA LEU 40 HA LEU 40 11.656 -0.825 2.282 333 HB2 LEU 40 2HB LEU 40 14.318 -1.235 1.029 334 HB3 LEU 40 1HB LEU 40 13.200 -2.583 1.007 335 HG LEU 40 HG LEU 40 13.063 -1.322 -1.065 336 HD11 LEU 40 1HD1 LEU 40 11.032 -2.387 -0.111 337 HD12 LEU 40 2HD1 LEU 40 10.693 -1.018 -1.170 338 HD13 LEU 40 3HD1 LEU 40 10.590 -0.826 0.580 339 HD21 LEU 40 3HD2 LEU 40 12.401 1.011 0.722 340 HD22 LEU 40 1HD2 LEU 40 12.128 0.992 -1.021 341 HD23 LEU 40 2HD2 LEU 40 13.765 0.853 -0.384 342 H ASP 41 H ASP 41 14.131 -1.143 4.526 343 HA ASP 41 HA ASP 41 14.336 -3.852 5.034 344 HB2 ASP 41 2HB ASP 41 15.657 -2.114 6.194 345 HB3 ASP 41 1HB ASP 41 14.219 -1.635 7.091 346 H VAL 42 H VAL 42 12.058 -1.601 6.606 347 HA VAL 42 HA VAL 42 10.166 -3.839 6.896 348 HB VAL 42 HB VAL 42 9.422 -2.748 9.055 349 HG11 VAL 42 1HG1 VAL 42 10.655 -4.822 9.076 350 HG12 VAL 42 2HG1 VAL 42 11.234 -3.789 10.385 351 HG13 VAL 42 3HG1 VAL 42 12.182 -3.956 8.907 352 HG21 VAL 42 3HG2 VAL 42 10.490 -0.591 8.756 353 HG22 VAL 42 1HG2 VAL 42 12.081 -1.354 8.774 354 HG23 VAL 42 2HG2 VAL 42 11.079 -1.367 10.226 355 H ALA 43 H ALA 43 10.613 -1.313 5.173 356 HA ALA 43 HA ALA 43 8.770 0.648 5.547 357 HB1 ALA 43 1HB ALA 43 9.556 -0.653 2.957 358 HB2 ALA 43 2HB ALA 43 10.324 0.735 3.729 359 HB3 ALA 43 3HB ALA 43 8.689 0.876 3.088 360 H ASP 44 H ASP 44 8.131 -2.557 4.236 361 HA ASP 44 HA ASP 44 5.577 -2.066 3.259 362 HB2 ASP 44 2HB ASP 44 5.206 -4.508 3.517 363 HB3 ASP 44 1HB ASP 44 6.731 -4.112 2.731 364 H ARG 45 H ARG 45 6.428 -3.347 6.515 365 HA ARG 45 HA ARG 45 3.668 -3.210 7.304 366 HB2 ARG 45 2HB ARG 45 5.883 -3.545 9.273 367 HB3 ARG 45 1HB ARG 45 4.287 -4.280 9.250 368 HG2 ARG 45 2HG ARG 45 5.014 -5.624 7.281 369 HG3 ARG 45 1HG ARG 45 6.641 -4.978 7.512 370 HD2 ARG 45 2HD ARG 45 6.627 -5.896 9.812 371 HD3 ARG 45 1HD ARG 45 5.055 -6.624 9.481 372 HE ARG 45 HE ARG 45 6.885 -7.439 7.511 373 HH11 ARG 45 1HH1 ARG 45 6.201 -7.893 10.897 374 HH12 ARG 45 2HH1 ARG 45 6.886 -9.482 10.955 375 HH21 ARG 45 1HH2 ARG 45 7.792 -9.530 7.578 376 HH22 ARG 45 2HH2 ARG 45 7.790 -10.413 9.068 377 H THR 46 H THR 46 6.544 -1.630 8.731 378 HA THR 46 HA THR 46 4.848 0.186 10.190 379 HB THR 46 HB THR 46 6.960 1.014 11.183 380 HG1 THR 46 1HG THR 46 8.074 0.002 9.088 381 HG21 THR 46 3HG2 THR 46 5.717 -0.790 12.237 382 HG22 THR 46 1HG2 THR 46 7.449 -1.076 12.400 383 HG23 THR 46 2HG2 THR 46 6.517 -1.974 11.203 384 H GLU 47 H GLU 47 7.586 0.807 7.960 385 HA GLU 47 HA GLU 47 7.255 3.614 8.155 386 HB2 GLU 47 2HB GLU 47 9.053 1.755 6.815 387 HB3 GLU 47 1HB GLU 47 8.812 3.266 5.941 388 HG2 GLU 47 2HG GLU 47 10.722 3.448 7.398 389 HG3 GLU 47 1HG GLU 47 9.435 4.514 7.959 390 H LEU 48 H LEU 48 6.809 1.600 5.217 391 HA LEU 48 HA LEU 48 5.867 3.681 3.636 392 HB2 LEU 48 2HB LEU 48 6.344 0.997 3.259 393 HB3 LEU 48 1HB LEU 48 4.617 1.127 2.995 394 HG LEU 48 HG LEU 48 6.725 2.731 1.545 395 HD11 LEU 48 1HD1 LEU 48 5.044 0.418 0.595 396 HD12 LEU 48 2HD1 LEU 48 6.769 0.355 0.959 397 HD13 LEU 48 3HD1 LEU 48 6.185 1.349 -0.376 398 HD21 LEU 48 3HD2 LEU 48 4.609 3.930 1.749 399 HD22 LEU 48 1HD2 LEU 48 3.748 2.533 1.104 400 HD23 LEU 48 2HD2 LEU 48 4.888 3.412 0.087 401 H ALA 49 H ALA 49 3.917 1.278 5.412 402 HA ALA 49 HA ALA 49 1.406 2.143 4.657 403 HB1 ALA 49 1HB ALA 49 2.301 0.962 7.276 404 HB2 ALA 49 2HB ALA 49 1.674 0.104 5.868 405 HB3 ALA 49 3HB ALA 49 0.614 1.160 6.801 406 H ASP 50 H ASP 50 3.169 3.171 7.591 407 HA ASP 50 HA ASP 50 1.209 5.059 8.373 408 HB2 ASP 50 2HB ASP 50 2.805 4.050 9.947 409 HB3 ASP 50 1HB ASP 50 4.124 4.906 9.155 410 H HIS 51 H HIS 51 4.207 5.380 6.530 411 HA HIS 51 HA HIS 51 4.306 8.194 6.522 412 HB2 HIS 51 2HB HIS 51 6.175 6.590 5.933 413 HB3 HIS 51 1HB HIS 51 5.406 6.406 4.359 414 HD1 HIS 51 1HD HIS 51 7.881 8.410 6.059 415 HD2 HIS 51 2HD HIS 51 5.146 9.018 2.991 416 HE1 HIS 51 1HE HIS 51 8.656 10.471 4.815 417 H LEU 52 H LEU 52 3.216 5.985 3.929 418 HA LEU 52 HA LEU 52 2.458 7.883 2.091 419 HB2 LEU 52 2HB LEU 52 0.992 6.208 1.108 420 HB3 LEU 52 1HB LEU 52 2.544 5.529 1.557 421 HG LEU 52 HG LEU 52 1.204 4.850 3.751 422 HD11 LEU 52 1HD1 LEU 52 -0.871 5.933 3.095 423 HD12 LEU 52 2HD1 LEU 52 -1.080 4.184 3.192 424 HD13 LEU 52 3HD1 LEU 52 -0.922 4.968 1.619 425 HD21 LEU 52 3HD2 LEU 52 1.015 3.388 1.122 426 HD22 LEU 52 1HD2 LEU 52 0.795 2.676 2.720 427 HD23 LEU 52 2HD2 LEU 52 2.367 3.320 2.251 428 H ILE 53 H ILE 53 0.714 6.884 4.970 429 HA ILE 53 HA ILE 53 -1.823 7.870 4.374 430 HB ILE 53 HB ILE 53 -0.371 7.744 7.016 431 HG12 ILE 53 2HG1 ILE 53 -0.803 5.546 6.361 432 HG13 ILE 53 1HG1 ILE 53 -2.189 5.937 7.373 433 HG21 ILE 53 1HG2 ILE 53 -3.266 8.417 6.539 434 HG22 ILE 53 2HG2 ILE 53 -2.029 9.502 7.173 435 HG23 ILE 53 3HG2 ILE 53 -2.534 8.096 8.109 436 HD11 ILE 53 3HD1 ILE 53 -3.469 6.430 5.299 437 HD12 ILE 53 1HD1 ILE 53 -2.962 4.750 5.466 438 HD13 ILE 53 2HD1 ILE 53 -2.100 5.829 4.375 439 H GLN 54 H GLN 54 1.022 9.566 5.590 440 HA GLN 54 HA GLN 54 -0.168 12.012 6.206 441 HB2 GLN 54 2HB GLN 54 2.125 11.398 6.850 442 HB3 GLN 54 1HB GLN 54 2.625 11.508 5.168 443 HG2 GLN 54 2HG GLN 54 3.286 13.491 6.372 444 HG3 GLN 54 1HG GLN 54 2.067 13.892 5.163 445 HE21 GLN 54 1HE2 GLN 54 1.461 15.766 6.226 446 HE22 GLN 54 2HE2 GLN 54 0.557 15.744 7.698 447 H SER 55 H SER 55 0.652 10.634 3.120 448 HA SER 55 HA SER 55 0.900 12.922 1.560 449 HB2 SER 55 2HB SER 55 1.406 10.695 0.703 450 HB3 SER 55 1HB SER 55 -0.299 10.251 0.797 451 HG SER 55 HG SER 55 0.752 12.352 -0.799 452 H ALA 56 H ALA 56 -2.089 10.976 1.976 453 HA ALA 56 HA ALA 56 -3.605 13.451 1.446 454 HB1 ALA 56 1HB ALA 56 -3.697 11.928 -0.476 455 HB2 ALA 56 2HB ALA 56 -5.280 12.162 0.263 456 HB3 ALA 56 3HB ALA 56 -4.378 10.676 0.561 457 H GLY 57 H GLY 57 -3.480 10.386 3.162 458 HA2 GLY 57 2HA GLY 57 -4.474 11.114 5.554 459 HA3 GLY 57 1HA GLY 57 -5.940 10.911 4.604 460 H ALA 58 H ALA 58 -6.151 9.274 6.483 461 HA ALA 58 HA ALA 58 -4.620 6.905 6.415 462 HB1 ALA 58 1HB ALA 58 -6.263 5.977 7.908 463 HB2 ALA 58 2HB ALA 58 -7.404 7.260 7.503 464 HB3 ALA 58 3HB ALA 58 -5.916 7.642 8.371 465 H ALA 59 H ALA 59 -8.080 7.193 5.591 466 HA ALA 59 HA ALA 59 -8.102 4.763 4.135 467 HB1 ALA 59 1HB ALA 59 -10.372 5.369 3.511 468 HB2 ALA 59 2HB ALA 59 -10.104 7.015 4.084 469 HB3 ALA 59 3HB ALA 59 -10.092 5.671 5.226 470 H SER 60 H SER 60 -7.998 8.157 3.103 471 HA SER 60 HA SER 60 -8.313 7.794 0.370 472 HB2 SER 60 2HB SER 60 -8.340 9.992 1.478 473 HB3 SER 60 1HB SER 60 -6.603 9.870 1.750 474 HG SER 60 HG SER 60 -6.414 9.702 -0.583 475 H ALA 61 H ALA 61 -5.231 7.982 2.167 476 HA ALA 61 HA ALA 61 -3.584 7.566 -0.074 477 HB1 ALA 61 1HB ALA 61 -2.818 8.510 2.073 478 HB2 ALA 61 2HB ALA 61 -1.795 7.198 1.488 479 HB3 ALA 61 3HB ALA 61 -2.944 6.905 2.793 480 H VAL 62 H VAL 62 -5.013 5.269 2.213 481 HA VAL 62 HA VAL 62 -3.583 3.011 1.258 482 HB VAL 62 HB VAL 62 -6.177 3.172 2.796 483 HG11 VAL 62 1HG1 VAL 62 -5.793 0.802 3.339 484 HG12 VAL 62 2HG1 VAL 62 -4.436 0.779 2.212 485 HG13 VAL 62 3HG1 VAL 62 -6.072 1.054 1.615 486 HG21 VAL 62 3HG2 VAL 62 -3.363 2.557 3.691 487 HG22 VAL 62 1HG2 VAL 62 -4.797 2.588 4.717 488 HG23 VAL 62 2HG2 VAL 62 -4.219 4.074 3.962 489 H THR 63 H THR 63 -6.597 4.533 0.294 490 HA THR 63 HA THR 63 -7.485 2.355 -1.331 491 HB THR 63 HB THR 63 -9.072 4.039 -2.304 492 HG1 THR 63 1HG THR 63 -8.747 6.089 -1.912 493 HG21 THR 63 3HG2 THR 63 -8.932 3.815 0.703 494 HG22 THR 63 1HG2 THR 63 -9.745 2.707 -0.402 495 HG23 THR 63 2HG2 THR 63 -10.347 4.353 -0.201 496 H LYS 64 H LYS 64 -6.081 5.543 -2.126 497 HA LYS 64 HA LYS 64 -5.972 5.171 -4.892 498 HB2 LYS 64 2HB LYS 64 -4.416 7.013 -4.949 499 HB3 LYS 64 1HB LYS 64 -5.655 7.349 -3.751 500 HG2 LYS 64 2HG LYS 64 -3.825 7.981 -2.571 501 HG3 LYS 64 1HG LYS 64 -3.861 6.275 -2.127 502 HD2 LYS 64 2HD LYS 64 -2.249 5.805 -3.944 503 HD3 LYS 64 1HD LYS 64 -2.178 7.531 -4.297 504 HE2 LYS 64 2HE LYS 64 -1.490 6.328 -1.622 505 HE3 LYS 64 1HE LYS 64 -0.304 6.668 -2.881 506 HZ1 LYS 64 3HZ LYS 64 -2.077 8.691 -1.623 507 HZ2 LYS 64 1HZ LYS 64 -0.872 8.993 -2.772 508 HZ3 LYS 64 2HZ LYS 64 -0.451 8.446 -1.228 509 H ALA 65 H ALA 65 -3.786 4.142 -2.356 510 HA ALA 65 HA ALA 65 -1.518 3.533 -3.839 511 HB1 ALA 65 1HB ALA 65 -0.951 1.968 -2.055 512 HB2 ALA 65 2HB ALA 65 -2.607 2.042 -1.453 513 HB3 ALA 65 3HB ALA 65 -1.584 3.478 -1.397 514 H ILE 66 H ILE 66 -4.540 1.802 -3.535 515 HA ILE 66 HA ILE 66 -3.685 -0.676 -4.589 516 HB ILE 66 HB ILE 66 -6.422 0.597 -4.561 517 HG12 ILE 66 2HG1 ILE 66 -5.440 0.131 -2.342 518 HG13 ILE 66 1HG1 ILE 66 -6.845 -0.879 -2.666 519 HG21 ILE 66 1HG2 ILE 66 -7.282 -1.686 -4.971 520 HG22 ILE 66 2HG2 ILE 66 -5.628 -2.226 -5.258 521 HG23 ILE 66 3HG2 ILE 66 -6.366 -1.036 -6.330 522 HD11 ILE 66 3HD1 ILE 66 -3.959 -1.713 -2.838 523 HD12 ILE 66 1HD1 ILE 66 -5.336 -2.732 -3.256 524 HD13 ILE 66 2HD1 ILE 66 -5.124 -2.176 -1.597 525 H ASN 67 H ASN 67 -5.131 2.188 -6.114 526 HA ASN 67 HA ASN 67 -5.371 1.098 -8.697 527 HB2 ASN 67 2HB ASN 67 -6.587 3.098 -8.065 528 HB3 ASN 67 1HB ASN 67 -5.080 3.976 -7.818 529 HD21 ASN 67 1HD2 ASN 67 -7.261 2.619 -10.162 530 HD22 ASN 67 2HD2 ASN 67 -6.622 3.450 -11.535 531 H ILE 68 H ILE 68 -2.704 2.756 -7.096 532 HA ILE 68 HA ILE 68 -1.132 3.050 -9.465 533 HB ILE 68 HB ILE 68 -0.273 3.128 -6.566 534 HG12 ILE 68 2HG1 ILE 68 -0.791 5.443 -8.437 535 HG13 ILE 68 1HG1 ILE 68 -1.998 4.827 -7.314 536 HG21 ILE 68 1HG2 ILE 68 1.156 4.054 -9.056 537 HG22 ILE 68 2HG2 ILE 68 1.608 2.689 -8.035 538 HG23 ILE 68 3HG2 ILE 68 1.700 4.331 -7.401 539 HD11 ILE 68 3HD1 ILE 68 -0.879 6.778 -6.413 540 HD12 ILE 68 1HD1 ILE 68 0.683 5.976 -6.577 541 HD13 ILE 68 2HD1 ILE 68 -0.514 5.349 -5.445 542 H PHE 69 H PHE 69 -0.921 0.847 -6.673 543 HA PHE 69 HA PHE 69 1.270 -0.638 -7.588 544 HB2 PHE 69 2HB PHE 69 0.509 -0.693 -5.263 545 HB3 PHE 69 1HB PHE 69 -0.974 -1.500 -5.755 546 HD1 PHE 69 1HD PHE 69 2.716 -1.938 -6.088 547 HD2 PHE 69 2HD PHE 69 -1.075 -3.774 -5.489 548 HE1 PHE 69 1HE PHE 69 3.821 -4.120 -5.814 549 HE2 PHE 69 2HE PHE 69 0.021 -5.959 -5.213 550 HZ PHE 69 HZ PHE 69 2.472 -6.134 -5.376 551 H GLN 70 H GLN 70 -2.187 -1.043 -8.184 552 HA GLN 70 HA GLN 70 -1.954 -3.620 -9.355 553 HB2 GLN 70 2HB GLN 70 -4.248 -3.353 -10.035 554 HB3 GLN 70 1HB GLN 70 -4.062 -2.716 -8.412 555 HG2 GLN 70 2HG GLN 70 -3.999 -0.441 -9.328 556 HG3 GLN 70 1HG GLN 70 -4.239 -1.102 -10.943 557 HE21 GLN 70 1HE2 GLN 70 -5.779 -2.409 -8.098 558 HE22 GLN 70 2HE2 GLN 70 -7.384 -1.914 -8.500 559 H LYS 71 H LYS 71 -2.442 -0.421 -10.828 560 HA LYS 71 HA LYS 71 -2.238 -1.336 -13.488 561 HB2 LYS 71 2HB LYS 71 -1.910 1.419 -12.301 562 HB3 LYS 71 1HB LYS 71 -1.970 1.093 -14.026 563 HG2 LYS 71 2HG LYS 71 -4.223 0.133 -13.740 564 HG3 LYS 71 1HG LYS 71 -4.157 0.557 -12.028 565 HD2 LYS 71 2HD LYS 71 -5.392 2.260 -13.171 566 HD3 LYS 71 1HD LYS 71 -3.831 2.938 -12.704 567 HE2 LYS 71 2HE LYS 71 -2.989 2.601 -14.959 568 HE3 LYS 71 1HE LYS 71 -4.512 1.849 -15.435 569 HZ1 LYS 71 3HZ LYS 71 -5.637 3.945 -14.995 570 HZ2 LYS 71 1HZ LYS 71 -4.410 4.152 -16.142 571 HZ3 LYS 71 2HZ LYS 71 -4.174 4.664 -14.548 572 H LEU 72 H LEU 72 0.193 -1.108 -11.182 573 HA LEU 72 HA LEU 72 2.213 -0.429 -13.217 574 HB2 LEU 72 2HB LEU 72 1.903 0.069 -10.376 575 HB3 LEU 72 1HB LEU 72 3.488 -0.542 -10.787 576 HG LEU 72 HG LEU 72 3.410 1.904 -10.720 577 HD11 LEU 72 1HD1 LEU 72 5.031 0.809 -12.163 578 HD12 LEU 72 2HD1 LEU 72 4.475 2.319 -12.883 579 HD13 LEU 72 3HD1 LEU 72 3.858 0.778 -13.479 580 HD21 LEU 72 3HD2 LEU 72 2.194 3.153 -12.432 581 HD22 LEU 72 1HD2 LEU 72 1.094 2.227 -11.410 582 HD23 LEU 72 2HD2 LEU 72 1.489 1.650 -13.029 583 H ASN 73 H ASN 73 1.555 -2.859 -10.676 584 HA ASN 73 HA ASN 73 3.685 -4.467 -11.930 585 HB2 ASN 73 2HB ASN 73 2.975 -4.493 -9.001 586 HB3 ASN 73 1HB ASN 73 4.314 -5.335 -9.778 587 HD21 ASN 73 1HD2 ASN 73 6.087 -4.140 -10.523 588 HD22 ASN 73 2HD2 ASN 73 6.411 -2.546 -9.942 589 H TYR 74 H TYR 74 0.752 -4.808 -9.933 590 HA TYR 74 HA TYR 74 0.231 -7.331 -11.339 591 HB2 TYR 74 2HB TYR 74 0.428 -7.018 -8.358 592 HB3 TYR 74 1HB TYR 74 -0.446 -8.350 -9.105 593 HD1 TYR 74 1HD TYR 74 0.806 -9.936 -10.609 594 HD2 TYR 74 2HD TYR 74 2.789 -7.057 -8.182 595 HE1 TYR 74 1HE TYR 74 2.906 -11.194 -10.842 596 HE2 TYR 74 2HE TYR 74 4.894 -8.308 -8.410 597 HH TYR 74 HH TYR 74 5.300 -10.830 -10.675 598 H MET 75 H MET 75 -1.285 -5.540 -12.256 599 HA MET 75 HA MET 75 -3.474 -4.559 -10.901 600 HB2 MET 75 2HB MET 75 -4.626 -4.496 -13.071 601 HB3 MET 75 1HB MET 75 -2.963 -3.939 -13.202 602 HG2 MET 75 2HG MET 75 -2.284 -6.048 -14.146 603 HG3 MET 75 1HG MET 75 -3.900 -6.709 -13.910 604 HE1 MET 75 3HE MET 75 -2.340 -6.809 -16.706 605 HE2 MET 75 1HE MET 75 -3.659 -6.404 -17.805 606 HE3 MET 75 2HE MET 75 -3.948 -7.484 -16.440 607 H HIS 76 H HIS 76 -2.792 -7.829 -11.735 608 HA HIS 76 HA HIS 76 -5.520 -8.741 -11.563 609 HB2 HIS 76 2HB HIS 76 -3.730 -9.835 -12.967 610 HB3 HIS 76 1HB HIS 76 -3.012 -10.420 -11.470 611 HD1 HIS 76 1HD HIS 76 -5.915 -10.987 -13.766 612 HD2 HIS 76 2HD HIS 76 -4.396 -12.481 -10.200 613 HE1 HIS 76 1HE HIS 76 -7.170 -13.133 -13.304 614 H ILE 77 H ILE 77 -2.612 -9.105 -9.534 615 HA ILE 77 HA ILE 77 -3.848 -10.525 -7.447 616 HB ILE 77 HB ILE 77 -1.388 -8.780 -7.457 617 HG12 ILE 77 2HG1 ILE 77 -1.751 -11.787 -7.415 618 HG13 ILE 77 1HG1 ILE 77 -1.288 -10.832 -8.820 619 HG21 ILE 77 1HG2 ILE 77 -0.813 -9.796 -5.294 620 HG22 ILE 77 2HG2 ILE 77 -2.393 -10.576 -5.251 621 HG23 ILE 77 3HG2 ILE 77 -2.276 -8.817 -5.197 622 HD11 ILE 77 3HD1 ILE 77 0.758 -10.140 -7.615 623 HD12 ILE 77 1HD1 ILE 77 0.657 -11.879 -7.893 624 HD13 ILE 77 2HD1 ILE 77 0.302 -11.219 -6.297 625 H ALA 78 H ALA 78 -3.233 -7.051 -7.836 626 HA ALA 78 HA ALA 78 -4.099 -6.158 -5.365 627 HB1 ALA 78 1HB ALA 78 -2.962 -4.736 -6.977 628 HB2 ALA 78 2HB ALA 78 -4.464 -3.997 -6.427 629 HB3 ALA 78 3HB ALA 78 -4.387 -4.758 -8.015 630 H ASN 79 H ASN 79 -6.000 -7.194 -8.115 631 HA ASN 79 HA ASN 79 -8.449 -6.031 -7.584 632 HB2 ASN 79 2HB ASN 79 -7.820 -8.774 -8.682 633 HB3 ASN 79 1HB ASN 79 -9.441 -8.085 -8.662 634 HD21 ASN 79 1HD2 ASN 79 -7.784 -8.879 -10.915 635 HD22 ASN 79 2HD2 ASN 79 -7.610 -7.470 -11.902 636 H ALA 80 H ALA 80 -6.905 -8.732 -5.973 637 HA ALA 80 HA ALA 80 -9.212 -9.576 -4.522 638 HB1 ALA 80 1HB ALA 80 -7.331 -11.078 -4.936 639 HB2 ALA 80 2HB ALA 80 -7.648 -10.913 -3.209 640 HB3 ALA 80 3HB ALA 80 -6.291 -10.057 -3.942 641 H LEU 81 H LEU 81 -6.595 -7.316 -3.926 642 HA LEU 81 HA LEU 81 -7.173 -6.901 -1.167 643 HB2 LEU 81 2HB LEU 81 -5.548 -5.345 -3.167 644 HB3 LEU 81 1HB LEU 81 -5.708 -4.858 -1.491 645 HG LEU 81 HG LEU 81 -4.775 -7.149 -0.879 646 HD11 LEU 81 1HD1 LEU 81 -5.114 -8.285 -2.980 647 HD12 LEU 81 2HD1 LEU 81 -3.391 -8.218 -2.616 648 HD13 LEU 81 3HD1 LEU 81 -4.081 -7.122 -3.812 649 HD21 LEU 81 3HD2 LEU 81 -3.460 -5.142 -0.655 650 HD22 LEU 81 1HD2 LEU 81 -3.069 -5.165 -2.375 651 HD23 LEU 81 2HD2 LEU 81 -2.452 -6.430 -1.313 652 H GLU 82 H GLU 82 -7.934 -5.062 -4.120 653 HA GLU 82 HA GLU 82 -9.112 -2.847 -2.929 654 HB2 GLU 82 2HB GLU 82 -10.277 -2.497 -5.053 655 HB3 GLU 82 1HB GLU 82 -8.596 -2.944 -5.313 656 HG2 GLU 82 2HG GLU 82 -9.254 -5.207 -5.859 657 HG3 GLU 82 1HG GLU 82 -10.941 -4.818 -5.525 658 H GLU 83 H GLU 83 -10.419 -6.047 -3.485 659 HA GLU 83 HA GLU 83 -13.141 -5.443 -3.078 660 HB2 GLU 83 2HB GLU 83 -11.592 -8.000 -2.644 661 HB3 GLU 83 1HB GLU 83 -13.343 -7.888 -2.524 662 HG2 GLU 83 2HG GLU 83 -13.487 -7.214 -4.845 663 HG3 GLU 83 1HG GLU 83 -11.730 -7.233 -4.978 664 H LYS 84 H LYS 84 -10.503 -6.074 -0.867 665 HA LYS 84 HA LYS 84 -11.956 -6.559 1.472 666 HB2 LYS 84 2HB LYS 84 -9.514 -6.891 1.240 667 HB3 LYS 84 1HB LYS 84 -9.295 -5.148 1.211 668 HG2 LYS 84 2HG LYS 84 -10.197 -4.991 3.473 669 HG3 LYS 84 1HG LYS 84 -10.425 -6.740 3.504 670 HD2 LYS 84 2HD LYS 84 -7.731 -5.545 2.954 671 HD3 LYS 84 1HD LYS 84 -8.314 -5.739 4.607 672 HE2 LYS 84 2HE LYS 84 -6.990 -7.654 4.040 673 HE3 LYS 84 1HE LYS 84 -8.678 -8.151 4.135 674 HZ1 LYS 84 3HZ LYS 84 -8.829 -8.186 1.776 675 HZ2 LYS 84 1HZ LYS 84 -7.443 -9.057 2.200 676 HZ3 LYS 84 2HZ LYS 84 -7.301 -7.484 1.593 677 H LYS 85 H LYS 85 -11.242 -3.590 -0.214 678 HA LYS 85 HA LYS 85 -11.661 -1.716 1.793 679 HB2 LYS 85 2HB LYS 85 -10.882 -1.292 -0.579 680 HB3 LYS 85 1HB LYS 85 -12.568 -1.385 -1.069 681 HG2 LYS 85 2HG LYS 85 -11.814 0.500 1.106 682 HG3 LYS 85 1HG LYS 85 -11.420 0.916 -0.561 683 HD2 LYS 85 2HD LYS 85 -13.756 0.693 -1.195 684 HD3 LYS 85 1HD LYS 85 -14.173 0.192 0.446 685 HE2 LYS 85 2HE LYS 85 -13.433 2.369 1.291 686 HE3 LYS 85 1HE LYS 85 -13.025 2.867 -0.349 687 HZ1 LYS 85 3HZ LYS 85 -15.353 2.630 -0.960 688 HZ2 LYS 85 1HZ LYS 85 -15.179 3.722 0.321 689 HZ3 LYS 85 2HZ LYS 85 -15.743 2.154 0.616 690 H LYS 86 H LYS 86 -13.983 -3.541 -0.114 691 HA LYS 86 HA LYS 86 -16.312 -2.141 0.438 692 HB2 LYS 86 2HB LYS 86 -16.208 -4.020 -1.141 693 HB3 LYS 86 1HB LYS 86 -15.968 -5.137 0.196 694 HG2 LYS 86 2HG LYS 86 -18.185 -4.464 1.085 695 HG3 LYS 86 1HG LYS 86 -18.422 -3.488 -0.366 696 HD2 LYS 86 2HD LYS 86 -19.532 -5.589 -0.683 697 HD3 LYS 86 1HD LYS 86 -18.109 -5.554 -1.725 698 HE2 LYS 86 2HE LYS 86 -18.384 -7.721 -0.594 699 HE3 LYS 86 1HE LYS 86 -16.879 -6.920 -0.145 700 HZ1 LYS 86 3HZ LYS 86 -19.371 -6.958 1.471 701 HZ2 LYS 86 1HZ LYS 86 -17.934 -6.178 1.903 702 HZ3 LYS 86 2HZ LYS 86 -17.979 -7.865 1.782 703 H GLU 87 H GLU 87 -14.655 -4.591 2.378 704 HA GLU 87 HA GLU 87 -16.651 -4.633 4.429 705 HB2 GLU 87 2HB GLU 87 -15.206 -6.567 4.031 706 HB3 GLU 87 1HB GLU 87 -13.789 -5.614 4.446 707 HG2 GLU 87 2HG GLU 87 -14.631 -5.354 6.725 708 HG3 GLU 87 1HG GLU 87 -16.050 -6.314 6.308 709 H ALA 88 H ALA 88 -13.753 -2.806 3.799 710 HA ALA 88 HA ALA 88 -13.220 -1.805 6.353 711 HB1 ALA 88 1HB ALA 88 -12.808 -0.396 3.720 712 HB2 ALA 88 2HB ALA 88 -11.706 -1.579 4.425 713 HB3 ALA 88 3HB ALA 88 -11.990 -0.042 5.242 714 H GLU 89 H GLU 89 -15.662 -0.949 4.028 715 HA GLU 89 HA GLU 89 -16.364 1.606 4.813 716 HB2 GLU 89 2HB GLU 89 -18.217 -0.625 3.958 717 HB3 GLU 89 1HB GLU 89 -18.616 1.087 3.962 718 HG2 GLU 89 2HG GLU 89 -16.872 1.498 2.301 719 HG3 GLU 89 1HG GLU 89 -16.479 -0.222 2.296 720 H ARG 90 H ARG 90 -17.727 -1.454 6.048 721 HA ARG 90 HA ARG 90 -19.214 -0.145 8.105 722 HB2 ARG 90 2HB ARG 90 -19.653 -2.444 8.924 723 HB3 ARG 90 1HB ARG 90 -20.017 -2.240 7.216 724 HG2 ARG 90 2HG ARG 90 -17.887 -3.303 6.641 725 HG3 ARG 90 1HG ARG 90 -17.546 -3.527 8.359 726 HD2 ARG 90 2HD ARG 90 -19.913 -4.678 6.884 727 HD3 ARG 90 1HD ARG 90 -18.444 -5.562 7.296 728 HE ARG 90 HE ARG 90 -19.619 -4.396 9.603 729 HH11 ARG 90 1HH1 ARG 90 -19.949 -7.047 7.365 730 HH12 ARG 90 2HH1 ARG 90 -20.747 -8.079 8.505 731 HH21 ARG 90 1HH2 ARG 90 -20.664 -5.749 11.111 732 HH22 ARG 90 2HH2 ARG 90 -21.156 -7.340 10.633 733 H LYS 91 H LYS 91 -15.964 -1.132 7.803 734 HA LYS 91 HA LYS 91 -15.443 -1.602 10.577 735 HB2 LYS 91 2HB LYS 91 -13.608 -1.034 8.246 736 HB3 LYS 91 1HB LYS 91 -13.034 -1.381 9.870 737 HG2 LYS 91 2HG LYS 91 -14.134 -3.571 9.781 738 HG3 LYS 91 1HG LYS 91 -14.669 -3.222 8.137 739 HD2 LYS 91 2HD LYS 91 -12.710 -4.578 7.985 740 HD3 LYS 91 1HD LYS 91 -12.261 -2.940 7.505 741 HE2 LYS 91 2HE LYS 91 -10.576 -3.933 8.971 742 HE3 LYS 91 1HE LYS 91 -11.337 -2.532 9.723 743 HZ1 LYS 91 3HZ LYS 91 -11.105 -4.352 11.289 744 HZ2 LYS 91 1HZ LYS 91 -12.005 -5.372 10.282 745 HZ3 LYS 91 2HZ LYS 91 -12.740 -4.030 11.003 746 H LEU 92 H LEU 92 -15.635 1.186 8.546 747 HA LEU 92 HA LEU 92 -14.337 2.871 10.556 748 HB2 LEU 92 2HB LEU 92 -15.317 3.491 7.769 749 HB3 LEU 92 1HB LEU 92 -14.586 4.668 8.844 750 HG LEU 92 HG LEU 92 -13.211 2.200 7.777 751 HD11 LEU 92 1HD1 LEU 92 -11.900 3.774 6.442 752 HD12 LEU 92 2HD1 LEU 92 -12.897 5.104 7.032 753 HD13 LEU 92 3HD1 LEU 92 -13.613 3.843 6.027 754 HD21 LEU 92 3HD2 LEU 92 -12.368 2.833 9.965 755 HD22 LEU 92 1HD2 LEU 92 -12.171 4.501 9.429 756 HD23 LEU 92 2HD2 LEU 92 -11.184 3.224 8.718 757 H MET 93 H MET 93 -17.267 1.611 10.230 758 HA MET 93 HA MET 93 -18.887 3.977 10.567 759 HB2 MET 93 2HB MET 93 -19.696 1.894 9.425 760 HB3 MET 93 1HB MET 93 -19.673 1.091 10.989 761 HG2 MET 93 2HG MET 93 -21.336 2.624 11.839 762 HG3 MET 93 1HG MET 93 -21.313 3.526 10.325 763 HE1 MET 93 3HE MET 93 -21.168 -0.365 10.882 764 HE2 MET 93 1HE MET 93 -22.872 -0.798 10.739 765 HE3 MET 93 2HE MET 93 -22.321 0.176 12.102 766 H THR 94 H THR 94 -17.094 1.859 12.563 767 HA THR 94 HA THR 94 -18.049 3.270 14.934 768 HB THR 94 HB THR 94 -19.400 1.240 14.921 769 HG1 THR 94 1HG THR 94 -18.093 0.287 16.921 770 HG21 THR 94 3HG2 THR 94 -17.952 -0.177 13.555 771 HG22 THR 94 1HG2 THR 94 -18.352 -0.975 15.075 772 HG23 THR 94 2HG2 THR 94 -16.764 -0.237 14.859 773 H ASN 95 H ASN 95 -16.561 3.313 16.655 774 HA ASN 95 HA ASN 95 -13.808 2.888 15.812 775 HB2 ASN 95 2HB ASN 95 -14.917 4.214 18.296 776 HB3 ASN 95 1HB ASN 95 -13.222 4.189 17.821 777 HD21 ASN 95 1HD2 ASN 95 -13.844 4.501 14.987 778 HD22 ASN 95 2HD2 ASN 95 -14.303 6.153 14.780 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -7.699 -2.794 13.993 2 H2 MET 1 2HT MET 1 -9.213 -2.091 13.722 3 H3 MET 1 3HT MET 1 -8.627 -2.252 15.301 4 HA MET 1 HA MET 1 -8.433 0.021 14.543 5 HB2 MET 1 2HB MET 1 -5.785 -1.417 14.801 6 HB3 MET 1 1HB MET 1 -6.021 0.314 15.003 7 HG2 MET 1 2HG MET 1 -7.572 -0.186 16.882 8 HG3 MET 1 1HG MET 1 -7.134 -1.886 16.725 9 HE1 MET 1 2HE MET 1 -3.339 -1.864 17.644 10 HE2 MET 1 3HE MET 1 -4.032 -1.737 16.027 11 HE3 MET 1 1HE MET 1 -4.731 -2.852 17.201 12 H GLU 2 H GLU 2 -7.510 1.550 13.117 13 HA GLU 2 HA GLU 2 -7.579 0.811 10.399 14 HB2 GLU 2 2HB GLU 2 -6.810 3.118 9.962 15 HB3 GLU 2 1HB GLU 2 -8.143 3.065 11.108 16 HG2 GLU 2 2HG GLU 2 -6.519 3.292 12.952 17 HG3 GLU 2 1HG GLU 2 -5.229 3.446 11.758 18 H SER 3 H SER 3 -4.978 1.133 12.702 19 HA SER 3 HA SER 3 -2.795 1.251 10.962 20 HB2 SER 3 2HB SER 3 -2.973 -0.049 13.693 21 HB3 SER 3 1HB SER 3 -1.476 0.365 12.856 22 HG SER 3 HG SER 3 -3.495 2.231 13.558 23 H GLU 4 H GLU 4 -4.695 -1.476 12.101 24 HA GLU 4 HA GLU 4 -2.955 -3.486 11.058 25 HB2 GLU 4 2HB GLU 4 -4.483 -3.970 12.899 26 HB3 GLU 4 1HB GLU 4 -5.865 -3.619 11.871 27 HG2 GLU 4 2HG GLU 4 -5.600 -5.995 12.092 28 HG3 GLU 4 1HG GLU 4 -5.250 -5.516 10.433 29 H TYR 5 H TYR 5 -5.624 -1.632 9.797 30 HA TYR 5 HA TYR 5 -6.125 -3.308 7.538 31 HB2 TYR 5 2HB TYR 5 -7.853 -1.822 8.436 32 HB3 TYR 5 1HB TYR 5 -6.871 -0.419 8.025 33 HD1 TYR 5 1HD TYR 5 -8.260 -3.461 6.346 34 HD2 TYR 5 2HD TYR 5 -7.416 0.702 6.087 35 HE1 TYR 5 1HE TYR 5 -9.301 -3.394 4.121 36 HE2 TYR 5 2HE TYR 5 -8.455 0.778 3.859 37 HH TYR 5 HH TYR 5 -10.339 -1.769 2.621 38 H ARG 6 H ARG 6 -4.196 -0.390 8.079 39 HA ARG 6 HA ARG 6 -3.477 -0.194 5.292 40 HB2 ARG 6 2HB ARG 6 -2.041 1.668 6.012 41 HB3 ARG 6 1HB ARG 6 -3.690 1.841 6.591 42 HG2 ARG 6 2HG ARG 6 -2.992 1.021 8.795 43 HG3 ARG 6 1HG ARG 6 -1.333 0.894 8.205 44 HD2 ARG 6 2HD ARG 6 -1.304 3.295 7.757 45 HD3 ARG 6 1HD ARG 6 -2.967 3.428 8.326 46 HE ARG 6 HE ARG 6 -1.180 2.299 10.270 47 HH11 ARG 6 1HH1 ARG 6 -2.441 5.256 8.924 48 HH12 ARG 6 2HH1 ARG 6 -2.110 6.194 10.342 49 HH21 ARG 6 1HH2 ARG 6 -0.744 3.526 12.142 50 HH22 ARG 6 2HH2 ARG 6 -1.148 5.210 12.172 51 H GLU 7 H GLU 7 -2.013 -1.431 8.235 52 HA GLU 7 HA GLU 7 0.600 -1.765 7.180 53 HB2 GLU 7 2HB GLU 7 0.129 -1.702 9.594 54 HB3 GLU 7 1HB GLU 7 -0.751 -3.218 9.461 55 HG2 GLU 7 2HG GLU 7 1.294 -4.354 8.777 56 HG3 GLU 7 1HG GLU 7 2.180 -2.834 8.891 57 H MET 8 H MET 8 -2.148 -3.985 7.540 58 HA MET 8 HA MET 8 -0.789 -6.234 6.455 59 HB2 MET 8 2HB MET 8 -2.776 -6.362 7.954 60 HB3 MET 8 1HB MET 8 -3.767 -5.755 6.633 61 HG2 MET 8 2HG MET 8 -4.016 -8.123 6.750 62 HG3 MET 8 1HG MET 8 -3.105 -7.730 5.293 63 HE1 MET 8 3HE MET 8 -3.290 -10.632 6.490 64 HE2 MET 8 1HE MET 8 -1.618 -11.189 6.454 65 HE3 MET 8 2HE MET 8 -2.281 -10.302 5.082 66 H LEU 9 H LEU 9 -3.117 -3.926 5.096 67 HA LEU 9 HA LEU 9 -3.431 -5.072 2.582 68 HB2 LEU 9 2HB LEU 9 -4.810 -3.241 3.457 69 HB3 LEU 9 1HB LEU 9 -3.451 -2.145 3.303 70 HG LEU 9 HG LEU 9 -4.246 -3.547 0.826 71 HD11 LEU 9 1HD1 LEU 9 -5.994 -1.482 2.150 72 HD12 LEU 9 2HD1 LEU 9 -6.440 -3.121 1.678 73 HD13 LEU 9 3HD1 LEU 9 -6.088 -1.913 0.443 74 HD21 LEU 9 3HD2 LEU 9 -2.467 -1.899 0.827 75 HD22 LEU 9 1HD2 LEU 9 -3.551 -0.695 1.520 76 HD23 LEU 9 2HD2 LEU 9 -3.839 -1.306 -0.108 77 H LEU 10 H LEU 10 -0.833 -3.086 3.826 78 HA LEU 10 HA LEU 10 0.336 -2.635 1.230 79 HB2 LEU 10 2HB LEU 10 1.283 -2.076 4.031 80 HB3 LEU 10 1HB LEU 10 2.247 -1.718 2.612 81 HG LEU 10 HG LEU 10 -0.488 -0.558 3.141 82 HD11 LEU 10 1HD1 LEU 10 1.115 0.208 4.810 83 HD12 LEU 10 2HD1 LEU 10 0.690 1.507 3.697 84 HD13 LEU 10 3HD1 LEU 10 2.236 0.674 3.531 85 HD21 LEU 10 3HD2 LEU 10 0.117 -0.684 0.775 86 HD22 LEU 10 1HD2 LEU 10 1.630 0.157 1.115 87 HD23 LEU 10 2HD2 LEU 10 0.090 0.985 1.344 88 H LEU 11 H LEU 11 1.458 -4.373 4.145 89 HA LEU 11 HA LEU 11 3.708 -5.515 2.985 90 HB2 LEU 11 2HB LEU 11 4.020 -6.191 5.065 91 HB3 LEU 11 1HB LEU 11 2.420 -5.611 5.468 92 HG LEU 11 HG LEU 11 2.849 -8.390 4.395 93 HD11 LEU 11 1HD1 LEU 11 2.890 -9.171 6.721 94 HD12 LEU 11 2HD1 LEU 11 2.965 -7.497 7.272 95 HD13 LEU 11 3HD1 LEU 11 4.293 -8.176 6.330 96 HD21 LEU 11 3HD2 LEU 11 0.562 -7.494 4.411 97 HD22 LEU 11 1HD2 LEU 11 0.707 -7.177 6.139 98 HD23 LEU 11 2HD2 LEU 11 0.751 -8.835 5.539 99 H THR 12 H THR 12 0.387 -6.410 2.610 100 HA THR 12 HA THR 12 0.688 -9.107 1.894 101 HB THR 12 HB THR 12 -1.359 -7.095 0.941 102 HG1 THR 12 1HG THR 12 -2.620 -8.011 2.574 103 HG21 THR 12 3HG2 THR 12 -1.357 -10.107 0.711 104 HG22 THR 12 1HG2 THR 12 -1.257 -8.958 -0.622 105 HG23 THR 12 2HG2 THR 12 -2.728 -9.060 0.346 106 H GLY 13 H GLY 13 1.373 -6.173 0.174 107 HA2 GLY 13 2HA GLY 13 1.800 -7.680 -2.316 108 HA3 GLY 13 1HA GLY 13 1.639 -5.935 -2.199 109 H LEU 14 H LEU 14 3.456 -5.439 -0.111 110 HA LEU 14 HA LEU 14 5.854 -5.191 -1.492 111 HB2 LEU 14 2HB LEU 14 5.130 -5.037 1.406 112 HB3 LEU 14 1HB LEU 14 6.816 -4.980 0.937 113 HG LEU 14 HG LEU 14 6.023 -2.736 1.247 114 HD11 LEU 14 1HD1 LEU 14 7.600 -3.086 -0.581 115 HD12 LEU 14 2HD1 LEU 14 6.487 -1.763 -0.936 116 HD13 LEU 14 3HD1 LEU 14 6.257 -3.336 -1.698 117 HD21 LEU 14 3HD2 LEU 14 4.189 -1.815 -0.114 118 HD22 LEU 14 1HD2 LEU 14 3.647 -3.089 0.978 119 HD23 LEU 14 2HD2 LEU 14 3.861 -3.431 -0.739 120 H ASP 15 H ASP 15 4.886 -7.663 0.870 121 HA ASP 15 HA ASP 15 7.418 -9.030 0.660 122 HB2 ASP 15 2HB ASP 15 6.055 -8.972 2.759 123 HB3 ASP 15 1HB ASP 15 4.868 -10.001 1.962 124 H HIS 16 H HIS 16 4.814 -8.860 -1.353 125 HA HIS 16 HA HIS 16 5.196 -11.617 -2.315 126 HB2 HIS 16 2HB HIS 16 2.815 -9.780 -2.469 127 HB3 HIS 16 1HB HIS 16 2.966 -11.200 -3.498 128 HD1 HIS 16 1HD HIS 16 1.312 -12.818 -2.521 129 HD2 HIS 16 2HD HIS 16 3.668 -11.001 0.380 130 HE1 HIS 16 1HE HIS 16 0.729 -13.936 -0.328 131 H ILE 17 H ILE 17 6.676 -9.006 -2.914 132 HA ILE 17 HA ILE 17 6.547 -9.300 -5.835 133 HB ILE 17 HB ILE 17 6.954 -6.877 -6.100 134 HG12 ILE 17 2HG1 ILE 17 6.337 -6.766 -3.137 135 HG13 ILE 17 1HG1 ILE 17 7.904 -6.443 -3.868 136 HG21 ILE 17 1HG2 ILE 17 4.716 -7.748 -6.369 137 HG22 ILE 17 2HG2 ILE 17 4.644 -6.169 -5.590 138 HG23 ILE 17 3HG2 ILE 17 4.430 -7.635 -4.633 139 HD11 ILE 17 3HD1 ILE 17 6.966 -4.519 -5.035 140 HD12 ILE 17 1HD1 ILE 17 6.761 -4.385 -3.289 141 HD13 ILE 17 2HD1 ILE 17 5.394 -4.843 -4.304 142 H THR 18 H THR 18 8.530 -7.996 -6.800 143 HA THR 18 HA THR 18 10.879 -9.122 -5.475 144 HB THR 18 HB THR 18 10.654 -9.742 -7.788 145 HG1 THR 18 1HG THR 18 12.644 -7.748 -7.904 146 HG21 THR 18 3HG2 THR 18 10.691 -8.047 -9.586 147 HG22 THR 18 1HG2 THR 18 10.567 -6.781 -8.365 148 HG23 THR 18 2HG2 THR 18 9.249 -7.933 -8.577 149 H GLU 19 H GLU 19 12.955 -7.790 -5.856 150 HA GLU 19 HA GLU 19 12.709 -5.386 -4.378 151 HB2 GLU 19 2HB GLU 19 15.083 -6.422 -5.935 152 HB3 GLU 19 1HB GLU 19 15.126 -5.179 -4.693 153 HG2 GLU 19 2HG GLU 19 14.501 -6.762 -3.003 154 HG3 GLU 19 1HG GLU 19 14.253 -8.018 -4.216 155 H GLU 20 H GLU 20 13.518 -6.010 -7.790 156 HA GLU 20 HA GLU 20 14.016 -3.387 -8.565 157 HB2 GLU 20 2HB GLU 20 13.565 -4.121 -10.847 158 HB3 GLU 20 1HB GLU 20 14.503 -5.329 -9.980 159 HG2 GLU 20 2HG GLU 20 12.537 -6.687 -9.660 160 HG3 GLU 20 1HG GLU 20 11.528 -5.451 -10.410 161 H GLU 21 H GLU 21 10.968 -5.037 -8.077 162 HA GLU 21 HA GLU 21 9.370 -3.051 -9.375 163 HB2 GLU 21 2HB GLU 21 8.926 -5.558 -7.944 164 HB3 GLU 21 1HB GLU 21 7.687 -4.355 -7.614 165 HG2 GLU 21 2HG GLU 21 7.041 -5.776 -9.463 166 HG3 GLU 21 1HG GLU 21 7.271 -4.115 -10.003 167 H LEU 22 H LEU 22 10.640 -3.489 -6.166 168 HA LEU 22 HA LEU 22 8.923 -1.892 -4.677 169 HB2 LEU 22 2HB LEU 22 11.906 -2.243 -4.382 170 HB3 LEU 22 1HB LEU 22 10.867 -1.512 -3.174 171 HG LEU 22 HG LEU 22 10.658 -4.368 -4.131 172 HD11 LEU 22 1HD1 LEU 22 12.700 -3.981 -2.852 173 HD12 LEU 22 2HD1 LEU 22 11.549 -4.954 -1.935 174 HD13 LEU 22 3HD1 LEU 22 11.756 -3.243 -1.557 175 HD21 LEU 22 3HD2 LEU 22 9.104 -4.652 -2.288 176 HD22 LEU 22 1HD2 LEU 22 8.524 -3.407 -3.393 177 HD23 LEU 22 2HD2 LEU 22 9.269 -2.949 -1.861 178 H LYS 23 H LYS 23 11.860 -0.920 -6.442 179 HA LYS 23 HA LYS 23 11.656 1.822 -5.763 180 HB2 LYS 23 2HB LYS 23 13.118 0.455 -8.023 181 HB3 LYS 23 1HB LYS 23 13.297 2.156 -7.614 182 HG2 LYS 23 2HG LYS 23 14.090 1.498 -5.372 183 HG3 LYS 23 1HG LYS 23 13.993 -0.194 -5.864 184 HD2 LYS 23 2HD LYS 23 15.660 1.884 -7.277 185 HD3 LYS 23 1HD LYS 23 16.280 0.806 -6.026 186 HE2 LYS 23 2HE LYS 23 15.696 -1.129 -7.394 187 HE3 LYS 23 1HE LYS 23 15.042 -0.063 -8.637 188 HZ1 LYS 23 3HZ LYS 23 17.245 0.878 -8.943 189 HZ2 LYS 23 1HZ LYS 23 17.280 -0.798 -9.180 190 HZ3 LYS 23 2HZ LYS 23 17.873 -0.134 -7.742 191 H ARG 24 H ARG 24 10.251 -0.098 -8.318 192 HA ARG 24 HA ARG 24 9.581 2.073 -10.029 193 HB2 ARG 24 2HB ARG 24 8.488 -0.732 -9.828 194 HB3 ARG 24 1HB ARG 24 8.015 0.411 -11.078 195 HG2 ARG 24 2HG ARG 24 10.337 0.535 -11.838 196 HG3 ARG 24 1HG ARG 24 10.800 -0.628 -10.592 197 HD2 ARG 24 2HD ARG 24 9.353 -2.304 -11.596 198 HD3 ARG 24 1HD ARG 24 8.822 -1.142 -12.811 199 HE ARG 24 HE ARG 24 11.646 -1.434 -12.838 200 HH11 ARG 24 1HH1 ARG 24 8.693 -3.007 -13.812 201 HH12 ARG 24 2HH1 ARG 24 9.427 -3.853 -15.133 202 HH21 ARG 24 1HH2 ARG 24 12.621 -2.541 -14.576 203 HH22 ARG 24 2HH2 ARG 24 11.660 -3.588 -15.569 204 H PHE 25 H PHE 25 7.623 0.163 -7.739 205 HA PHE 25 HA PHE 25 5.221 1.526 -8.098 206 HB2 PHE 25 2HB PHE 25 5.288 -0.575 -6.911 207 HB3 PHE 25 1HB PHE 25 6.304 0.118 -5.653 208 HD1 PHE 25 1HD PHE 25 3.154 1.299 -7.275 209 HD2 PHE 25 2HD PHE 25 5.129 0.154 -3.683 210 HE1 PHE 25 1HE PHE 25 1.147 1.898 -5.984 211 HE2 PHE 25 2HE PHE 25 3.126 0.749 -2.386 212 HZ PHE 25 HZ PHE 25 1.132 1.625 -3.536 213 H LYS 26 H LYS 26 7.675 2.051 -5.561 214 HA LYS 26 HA LYS 26 6.409 4.279 -4.409 215 HB2 LYS 26 2HB LYS 26 9.100 3.048 -4.259 216 HB3 LYS 26 1HB LYS 26 8.975 4.725 -3.747 217 HG2 LYS 26 2HG LYS 26 8.270 4.025 -1.773 218 HG3 LYS 26 1HG LYS 26 6.822 3.383 -2.549 219 HD2 LYS 26 2HD LYS 26 9.371 1.809 -2.524 220 HD3 LYS 26 1HD LYS 26 8.294 1.798 -1.128 221 HE2 LYS 26 2HE LYS 26 6.470 0.994 -2.508 222 HE3 LYS 26 1HE LYS 26 7.491 1.077 -3.943 223 HZ1 LYS 26 3HZ LYS 26 7.962 -0.675 -1.591 224 HZ2 LYS 26 1HZ LYS 26 8.927 -0.606 -2.979 225 HZ3 LYS 26 2HZ LYS 26 7.339 -1.177 -3.080 226 H TYR 27 H TYR 27 8.370 3.995 -7.253 227 HA TYR 27 HA TYR 27 9.323 6.642 -7.409 228 HB2 TYR 27 2HB TYR 27 10.198 4.793 -8.796 229 HB3 TYR 27 1HB TYR 27 8.677 4.747 -9.679 230 HD1 TYR 27 2HD TYR 27 8.076 6.591 -11.207 231 HD2 TYR 27 1HD TYR 27 11.848 6.477 -9.240 232 HE1 TYR 27 2HE TYR 27 8.944 8.262 -12.786 233 HE2 TYR 27 1HE TYR 27 12.726 8.148 -10.816 234 HH TYR 27 HH TYR 27 12.221 8.945 -13.126 235 H PHE 28 H PHE 28 6.357 5.136 -8.637 236 HA PHE 28 HA PHE 28 5.439 7.541 -9.890 237 HB2 PHE 28 2HB PHE 28 4.213 4.852 -9.360 238 HB3 PHE 28 1HB PHE 28 3.233 6.183 -9.968 239 HD1 PHE 28 2HD PHE 28 6.175 4.069 -10.709 240 HD2 PHE 28 1HD PHE 28 3.295 6.809 -12.233 241 HE1 PHE 28 2HE PHE 28 6.916 3.568 -13.002 242 HE2 PHE 28 1HE PHE 28 4.031 6.312 -14.528 243 HZ PHE 28 HZ PHE 28 5.844 4.691 -14.915 244 H ALA 29 H ALA 29 4.287 5.720 -7.029 245 HA ALA 29 HA ALA 29 2.392 7.664 -6.264 246 HB1 ALA 29 1HB ALA 29 3.776 5.567 -4.597 247 HB2 ALA 29 2HB ALA 29 2.248 5.389 -5.460 248 HB3 ALA 29 3HB ALA 29 2.365 6.499 -4.095 249 H LEU 30 H LEU 30 5.639 6.980 -4.944 250 HA LEU 30 HA LEU 30 5.576 9.576 -3.601 251 HB2 LEU 30 2HB LEU 30 7.500 7.269 -3.323 252 HB3 LEU 30 1HB LEU 30 7.609 8.773 -2.428 253 HG LEU 30 HG LEU 30 5.208 8.184 -1.618 254 HD11 LEU 30 1HD1 LEU 30 4.851 5.743 -1.443 255 HD12 LEU 30 2HD1 LEU 30 6.211 5.498 -2.541 256 HD13 LEU 30 3HD1 LEU 30 4.769 6.344 -3.099 257 HD21 LEU 30 3HD2 LEU 30 6.123 6.983 0.269 258 HD22 LEU 30 1HD2 LEU 30 7.234 8.262 -0.218 259 HD23 LEU 30 2HD2 LEU 30 7.574 6.586 -0.650 260 H THR 31 H THR 31 5.959 10.978 -5.318 261 HA THR 31 HA THR 31 8.375 10.599 -6.905 262 HB THR 31 HB THR 31 7.637 12.583 -8.161 263 HG1 THR 31 1HG THR 31 5.869 12.758 -6.020 264 HG21 THR 31 3HG2 THR 31 5.597 11.617 -9.129 265 HG22 THR 31 1HG2 THR 31 5.459 10.531 -7.747 266 HG23 THR 31 2HG2 THR 31 6.827 10.385 -8.851 267 H GLU 32 H GLU 32 6.971 13.082 -4.778 268 HA GLU 32 HA GLU 32 9.585 14.375 -4.580 269 HB2 GLU 32 2HB GLU 32 8.343 16.185 -3.425 270 HB3 GLU 32 1HB GLU 32 7.743 15.858 -5.045 271 HG2 GLU 32 2HG GLU 32 5.904 14.552 -4.090 272 HG3 GLU 32 1HG GLU 32 6.500 14.914 -2.471 273 H PHE 33 H PHE 33 7.818 12.058 -2.945 274 HA PHE 33 HA PHE 33 8.531 12.814 -0.263 275 HB2 PHE 33 2HB PHE 33 7.423 10.231 -1.377 276 HB3 PHE 33 1HB PHE 33 7.639 10.568 0.337 277 HD1 PHE 33 2HD PHE 33 6.345 12.447 1.377 278 HD2 PHE 33 1HD PHE 33 5.522 10.984 -2.531 279 HE1 PHE 33 2HE PHE 33 4.120 13.492 1.460 280 HE2 PHE 33 1HE PHE 33 3.295 12.026 -2.459 281 HZ PHE 33 HZ PHE 33 2.592 13.283 -0.461 282 H GLN 34 H GLN 34 10.014 11.020 -2.812 283 HA GLN 34 HA GLN 34 11.885 9.708 -2.932 284 HB2 GLN 34 2HB GLN 34 12.747 11.830 -0.965 285 HB3 GLN 34 1HB GLN 34 13.855 10.701 -1.732 286 HG2 GLN 34 2HG GLN 34 13.080 11.572 -3.942 287 HG3 GLN 34 1HG GLN 34 12.183 12.812 -3.067 288 HE21 GLN 34 1HE2 GLN 34 13.312 14.431 -1.977 289 HE22 GLN 34 2HE2 GLN 34 14.976 14.763 -2.300 290 H ILE 35 H ILE 35 10.540 8.008 -1.772 291 HA ILE 35 HA ILE 35 10.779 7.421 0.934 292 HB ILE 35 HB ILE 35 9.294 6.289 -0.802 293 HG12 ILE 35 2HG1 ILE 35 9.401 4.065 0.429 294 HG13 ILE 35 1HG1 ILE 35 10.790 4.712 1.294 295 HG21 ILE 35 1HG2 ILE 35 10.187 4.222 -1.800 296 HG22 ILE 35 2HG2 ILE 35 11.790 4.647 -1.205 297 HG23 ILE 35 3HG2 ILE 35 10.994 5.667 -2.403 298 HD11 ILE 35 3HD1 ILE 35 9.370 6.553 2.121 299 HD12 ILE 35 1HD1 ILE 35 8.805 4.962 2.628 300 HD13 ILE 35 2HD1 ILE 35 7.986 5.811 1.317 301 H ALA 36 H ALA 36 12.060 5.763 2.013 302 HA ALA 36 HA ALA 36 14.847 5.914 1.228 303 HB1 ALA 36 1HB ALA 36 13.533 4.708 3.660 304 HB2 ALA 36 2HB ALA 36 14.300 6.292 3.551 305 HB3 ALA 36 3HB ALA 36 15.274 4.830 3.404 306 H ARG 37 H ARG 37 15.799 4.444 0.001 307 HA ARG 37 HA ARG 37 14.526 2.056 -0.823 308 HB2 ARG 37 2HB ARG 37 16.673 1.565 -1.955 309 HB3 ARG 37 1HB ARG 37 16.066 3.180 -2.293 310 HG2 ARG 37 2HG ARG 37 17.637 4.121 -0.689 311 HG3 ARG 37 1HG ARG 37 18.232 2.503 -0.312 312 HD2 ARG 37 2HD ARG 37 19.702 3.685 -1.883 313 HD3 ARG 37 1HD ARG 37 19.009 2.227 -2.593 314 HE ARG 37 HE ARG 37 17.408 4.475 -3.209 315 HH11 ARG 37 1HH1 ARG 37 20.454 2.988 -4.022 316 HH12 ARG 37 2HH1 ARG 37 20.495 3.649 -5.622 317 HH21 ARG 37 1HH2 ARG 37 17.454 5.345 -5.315 318 HH22 ARG 37 2HH2 ARG 37 18.789 4.985 -6.358 319 H SER 38 H SER 38 16.935 2.735 1.649 320 HA SER 38 HA SER 38 17.698 0.035 2.101 321 HB2 SER 38 2HB SER 38 17.876 2.432 3.943 322 HB3 SER 38 1HB SER 38 18.691 0.889 4.196 323 HG SER 38 HG SER 38 19.104 2.748 2.100 324 H THR 39 H THR 39 15.155 2.078 3.395 325 HA THR 39 HA THR 39 14.446 0.321 5.527 326 HB THR 39 HB THR 39 12.422 1.685 5.753 327 HG1 THR 39 1HG THR 39 11.940 3.260 4.269 328 HG21 THR 39 3HG2 THR 39 14.499 2.486 6.761 329 HG22 THR 39 1HG2 THR 39 13.507 3.835 6.208 330 HG23 THR 39 2HG2 THR 39 14.909 3.328 5.266 331 H LEU 40 H LEU 40 13.837 0.297 2.166 332 HA LEU 40 HA LEU 40 11.352 -0.694 1.763 333 HB2 LEU 40 2HB LEU 40 13.946 -1.556 0.512 334 HB3 LEU 40 1HB LEU 40 12.396 -2.159 -0.042 335 HG LEU 40 HG LEU 40 13.150 0.764 0.012 336 HD11 LEU 40 1HD1 LEU 40 13.149 -1.189 -2.285 337 HD12 LEU 40 2HD1 LEU 40 14.566 -0.432 -1.557 338 HD13 LEU 40 3HD1 LEU 40 13.384 0.554 -2.417 339 HD21 LEU 40 3HD2 LEU 40 10.753 0.371 0.141 340 HD22 LEU 40 1HD2 LEU 40 10.839 -0.701 -1.258 341 HD23 LEU 40 2HD2 LEU 40 11.192 1.018 -1.440 342 H ASP 41 H ASP 41 13.944 -2.356 3.387 343 HA ASP 41 HA ASP 41 13.087 -4.995 3.206 344 HB2 ASP 41 2HB ASP 41 15.250 -4.270 4.183 345 HB3 ASP 41 1HB ASP 41 14.385 -3.667 5.595 346 H VAL 42 H VAL 42 12.511 -2.838 5.998 347 HA VAL 42 HA VAL 42 10.143 -4.435 6.684 348 HB VAL 42 HB VAL 42 10.201 -3.151 8.829 349 HG11 VAL 42 1HG1 VAL 42 12.716 -4.662 8.120 350 HG12 VAL 42 2HG1 VAL 42 11.200 -5.370 8.679 351 HG13 VAL 42 3HG1 VAL 42 12.142 -4.336 9.754 352 HG21 VAL 42 3HG2 VAL 42 12.796 -2.110 7.709 353 HG22 VAL 42 1HG2 VAL 42 12.249 -1.908 9.373 354 HG23 VAL 42 2HG2 VAL 42 11.343 -1.169 8.052 355 H ALA 43 H ALA 43 10.664 -1.991 4.733 356 HA ALA 43 HA ALA 43 9.132 0.158 5.555 357 HB1 ALA 43 1HB ALA 43 9.018 0.832 3.280 358 HB2 ALA 43 2HB ALA 43 9.340 -0.810 2.725 359 HB3 ALA 43 3HB ALA 43 10.599 0.104 3.554 360 H ASP 44 H ASP 44 8.092 -2.926 4.383 361 HA ASP 44 HA ASP 44 5.563 -2.232 3.439 362 HB2 ASP 44 2HB ASP 44 4.951 -4.593 3.921 363 HB3 ASP 44 1HB ASP 44 6.470 -4.428 3.045 364 H ARG 45 H ARG 45 6.408 -3.377 6.750 365 HA ARG 45 HA ARG 45 3.715 -2.808 7.602 366 HB2 ARG 45 2HB ARG 45 4.561 -3.519 9.860 367 HB3 ARG 45 1HB ARG 45 4.661 -4.718 8.581 368 HG2 ARG 45 2HG ARG 45 7.067 -4.084 8.295 369 HG3 ARG 45 1HG ARG 45 6.905 -3.096 9.749 370 HD2 ARG 45 2HD ARG 45 6.423 -6.067 9.560 371 HD3 ARG 45 1HD ARG 45 7.838 -5.291 10.271 372 HE ARG 45 HE ARG 45 5.625 -4.269 11.585 373 HH11 ARG 45 1HH1 ARG 45 7.131 -7.381 11.139 374 HH12 ARG 45 2HH1 ARG 45 6.606 -7.998 12.670 375 HH21 ARG 45 1HH2 ARG 45 4.929 -5.075 13.600 376 HH22 ARG 45 2HH2 ARG 45 5.356 -6.687 14.068 377 H THR 46 H THR 46 6.860 -1.577 8.791 378 HA THR 46 HA THR 46 5.516 0.484 10.280 379 HB THR 46 HB THR 46 7.303 -0.496 11.414 380 HG1 THR 46 1HG THR 46 7.197 2.036 11.059 381 HG21 THR 46 3HG2 THR 46 9.088 0.202 9.080 382 HG22 THR 46 1HG2 THR 46 8.495 -1.413 9.467 383 HG23 THR 46 2HG2 THR 46 9.590 -0.585 10.576 384 H GLU 47 H GLU 47 8.045 0.659 7.744 385 HA GLU 47 HA GLU 47 8.116 3.485 7.809 386 HB2 GLU 47 2HB GLU 47 9.603 1.409 6.648 387 HB3 GLU 47 1HB GLU 47 9.118 2.475 5.329 388 HG2 GLU 47 2HG GLU 47 10.571 3.292 7.835 389 HG3 GLU 47 1HG GLU 47 11.266 3.141 6.223 390 H LEU 48 H LEU 48 6.959 1.444 5.092 391 HA LEU 48 HA LEU 48 6.018 3.558 3.560 392 HB2 LEU 48 2HB LEU 48 5.162 0.682 3.675 393 HB3 LEU 48 1HB LEU 48 4.433 1.818 2.557 394 HG LEU 48 HG LEU 48 7.366 1.112 2.646 395 HD11 LEU 48 1HD1 LEU 48 5.195 0.278 0.729 396 HD12 LEU 48 2HD1 LEU 48 6.031 -0.763 1.881 397 HD13 LEU 48 3HD1 LEU 48 6.916 -0.051 0.531 398 HD21 LEU 48 3HD2 LEU 48 7.006 3.372 1.848 399 HD22 LEU 48 1HD2 LEU 48 5.780 2.802 0.716 400 HD23 LEU 48 2HD2 LEU 48 7.464 2.321 0.507 401 H ALA 49 H ALA 49 4.290 1.653 5.996 402 HA ALA 49 HA ALA 49 1.738 2.678 5.598 403 HB1 ALA 49 1HB ALA 49 2.260 0.784 7.076 404 HB2 ALA 49 2HB ALA 49 1.244 1.990 7.866 405 HB3 ALA 49 3HB ALA 49 2.966 1.905 8.240 406 H ASP 50 H ASP 50 4.142 3.840 7.967 407 HA ASP 50 HA ASP 50 2.600 6.090 8.737 408 HB2 ASP 50 2HB ASP 50 4.288 5.105 10.205 409 HB3 ASP 50 1HB ASP 50 5.556 5.563 9.072 410 H HIS 51 H HIS 51 5.047 5.603 6.289 411 HA HIS 51 HA HIS 51 5.601 8.353 5.833 412 HB2 HIS 51 2HB HIS 51 7.010 6.257 5.258 413 HB3 HIS 51 1HB HIS 51 6.053 6.217 3.781 414 HD1 HIS 51 1HD HIS 51 6.745 7.816 1.933 415 HD2 HIS 51 2HD HIS 51 8.601 8.614 5.562 416 HE1 HIS 51 1HE HIS 51 8.512 9.562 1.460 417 H LEU 52 H LEU 52 3.793 6.009 3.801 418 HA LEU 52 HA LEU 52 2.973 8.024 1.985 419 HB2 LEU 52 2HB LEU 52 1.661 6.352 0.903 420 HB3 LEU 52 1HB LEU 52 3.198 5.655 1.367 421 HG LEU 52 HG LEU 52 1.754 4.889 3.487 422 HD11 LEU 52 1HD1 LEU 52 -0.232 5.030 1.223 423 HD12 LEU 52 2HD1 LEU 52 -0.302 5.946 2.728 424 HD13 LEU 52 3HD1 LEU 52 -0.475 4.192 2.756 425 HD21 LEU 52 3HD2 LEU 52 3.043 3.409 2.075 426 HD22 LEU 52 1HD2 LEU 52 1.836 3.532 0.795 427 HD23 LEU 52 2HD2 LEU 52 1.429 2.742 2.319 428 H ILE 53 H ILE 53 1.464 6.696 4.874 429 HA ILE 53 HA ILE 53 -1.154 7.609 4.352 430 HB ILE 53 HB ILE 53 0.253 6.917 6.915 431 HG12 ILE 53 2HG1 ILE 53 -0.289 4.974 5.671 432 HG13 ILE 53 1HG1 ILE 53 -1.543 5.110 6.898 433 HG21 ILE 53 1HG2 ILE 53 -2.584 7.872 6.606 434 HG22 ILE 53 2HG2 ILE 53 -1.298 8.634 7.541 435 HG23 ILE 53 3HG2 ILE 53 -1.949 7.073 8.043 436 HD11 ILE 53 3HD1 ILE 53 -1.755 5.748 3.974 437 HD12 ILE 53 1HD1 ILE 53 -2.986 6.180 5.155 438 HD13 ILE 53 2HD1 ILE 53 -2.590 4.486 4.878 439 H GLN 54 H GLN 54 1.473 9.141 6.220 440 HA GLN 54 HA GLN 54 0.086 11.344 7.158 441 HB2 GLN 54 2HB GLN 54 2.174 12.399 7.523 442 HB3 GLN 54 1HB GLN 54 2.453 10.675 7.720 443 HG2 GLN 54 2HG GLN 54 3.402 10.563 5.487 444 HG3 GLN 54 1HG GLN 54 3.097 12.281 5.258 445 HE21 GLN 54 1HE2 GLN 54 5.609 10.798 5.186 446 HE22 GLN 54 2HE2 GLN 54 6.630 11.530 6.372 447 H SER 55 H SER 55 1.181 10.703 3.928 448 HA SER 55 HA SER 55 1.350 13.272 2.884 449 HB2 SER 55 2HB SER 55 1.196 12.290 0.736 450 HB3 SER 55 1HB SER 55 1.952 11.070 1.760 451 HG SER 55 HG SER 55 -0.446 10.434 2.030 452 H ALA 56 H ALA 56 -1.517 11.117 2.759 453 HA ALA 56 HA ALA 56 -3.163 13.555 2.514 454 HB1 ALA 56 1HB ALA 56 -3.725 10.885 1.233 455 HB2 ALA 56 2HB ALA 56 -3.073 12.300 0.404 456 HB3 ALA 56 3HB ALA 56 -4.699 12.348 1.085 457 H GLY 57 H GLY 57 -2.922 10.295 3.830 458 HA2 GLY 57 2HA GLY 57 -4.005 10.613 6.245 459 HA3 GLY 57 1HA GLY 57 -5.452 10.590 5.247 460 H ALA 58 H ALA 58 -5.375 8.716 7.093 461 HA ALA 58 HA ALA 58 -4.030 6.330 6.424 462 HB1 ALA 58 1HB ALA 58 -6.514 6.699 8.085 463 HB2 ALA 58 2HB ALA 58 -4.850 6.776 8.669 464 HB3 ALA 58 3HB ALA 58 -5.497 5.258 8.044 465 H ALA 59 H ALA 59 -7.558 6.843 6.323 466 HA ALA 59 HA ALA 59 -8.018 4.624 4.638 467 HB1 ALA 59 1HB ALA 59 -10.303 5.417 4.504 468 HB2 ALA 59 2HB ALA 59 -9.818 6.988 5.143 469 HB3 ALA 59 3HB ALA 59 -9.707 5.550 6.159 470 H SER 60 H SER 60 -7.492 8.031 3.963 471 HA SER 60 HA SER 60 -8.402 8.052 1.302 472 HB2 SER 60 2HB SER 60 -7.085 10.118 1.069 473 HB3 SER 60 1HB SER 60 -8.004 10.108 2.574 474 HG SER 60 HG SER 60 -5.283 10.089 2.163 475 H ALA 61 H ALA 61 -5.108 7.628 2.594 476 HA ALA 61 HA ALA 61 -3.929 7.276 0.028 477 HB1 ALA 61 1HB ALA 61 -1.907 6.691 1.244 478 HB2 ALA 61 2HB ALA 61 -2.832 6.576 2.740 479 HB3 ALA 61 3HB ALA 61 -2.666 8.129 1.926 480 H VAL 62 H VAL 62 -4.851 4.960 2.583 481 HA VAL 62 HA VAL 62 -3.779 2.669 1.403 482 HB VAL 62 HB VAL 62 -6.212 2.901 3.178 483 HG11 VAL 62 1HG1 VAL 62 -4.574 0.473 2.440 484 HG12 VAL 62 2HG1 VAL 62 -6.255 0.777 2.005 485 HG13 VAL 62 3HG1 VAL 62 -5.814 0.519 3.693 486 HG21 VAL 62 3HG2 VAL 62 -4.715 2.375 4.984 487 HG22 VAL 62 1HG2 VAL 62 -4.076 3.762 4.103 488 HG23 VAL 62 2HG2 VAL 62 -3.370 2.164 3.862 489 H THR 63 H THR 63 -6.761 4.364 0.692 490 HA THR 63 HA THR 63 -7.898 2.208 -0.828 491 HB THR 63 HB THR 63 -9.539 3.933 -1.602 492 HG1 THR 63 1HG THR 63 -7.710 5.572 -0.274 493 HG21 THR 63 3HG2 THR 63 -9.058 3.680 1.367 494 HG22 THR 63 1HG2 THR 63 -10.050 2.629 0.359 495 HG23 THR 63 2HG2 THR 63 -10.545 4.296 0.647 496 H LYS 64 H LYS 64 -6.453 5.352 -1.706 497 HA LYS 64 HA LYS 64 -6.609 4.926 -4.499 498 HB2 LYS 64 2HB LYS 64 -5.074 6.831 -4.682 499 HB3 LYS 64 1HB LYS 64 -6.385 7.160 -3.558 500 HG2 LYS 64 2HG LYS 64 -5.005 7.135 -1.724 501 HG3 LYS 64 1HG LYS 64 -3.803 6.108 -2.508 502 HD2 LYS 64 2HD LYS 64 -3.151 7.963 -3.951 503 HD3 LYS 64 1HD LYS 64 -4.368 8.992 -3.191 504 HE2 LYS 64 2HE LYS 64 -2.147 9.432 -2.278 505 HE3 LYS 64 1HE LYS 64 -3.222 8.772 -1.047 506 HZ1 LYS 64 3HZ LYS 64 -1.164 7.250 -2.553 507 HZ2 LYS 64 1HZ LYS 64 -2.209 6.597 -1.394 508 HZ3 LYS 64 2HZ LYS 64 -1.050 7.742 -0.938 509 H ALA 65 H ALA 65 -4.211 4.101 -2.096 510 HA ALA 65 HA ALA 65 -1.978 3.638 -3.666 511 HB1 ALA 65 1HB ALA 65 -1.965 3.550 -1.217 512 HB2 ALA 65 2HB ALA 65 -1.237 2.107 -1.923 513 HB3 ALA 65 3HB ALA 65 -2.873 2.040 -1.269 514 H ILE 66 H ILE 66 -4.880 1.753 -3.299 515 HA ILE 66 HA ILE 66 -3.951 -0.693 -4.348 516 HB ILE 66 HB ILE 66 -6.738 0.469 -4.382 517 HG12 ILE 66 2HG1 ILE 66 -5.783 0.194 -2.127 518 HG13 ILE 66 1HG1 ILE 66 -7.117 -0.918 -2.410 519 HG21 ILE 66 1HG2 ILE 66 -5.836 -2.370 -4.842 520 HG22 ILE 66 2HG2 ILE 66 -6.503 -1.280 -6.056 521 HG23 ILE 66 3HG2 ILE 66 -7.508 -1.826 -4.714 522 HD11 ILE 66 3HD1 ILE 66 -5.282 -1.986 -1.219 523 HD12 ILE 66 1HD1 ILE 66 -4.191 -1.614 -2.554 524 HD13 ILE 66 2HD1 ILE 66 -5.537 -2.727 -2.799 525 H ASN 67 H ASN 67 -5.562 2.066 -5.908 526 HA ASN 67 HA ASN 67 -5.792 0.980 -8.472 527 HB2 ASN 67 2HB ASN 67 -6.975 3.000 -7.807 528 HB3 ASN 67 1HB ASN 67 -5.452 3.867 -7.641 529 HD21 ASN 67 1HD2 ASN 67 -7.780 2.552 -9.848 530 HD22 ASN 67 2HD2 ASN 67 -7.179 3.329 -11.269 531 H ILE 68 H ILE 68 -3.101 2.708 -6.967 532 HA ILE 68 HA ILE 68 -1.585 2.901 -9.389 533 HB ILE 68 HB ILE 68 -0.648 3.190 -6.532 534 HG12 ILE 68 2HG1 ILE 68 -1.424 5.348 -8.506 535 HG13 ILE 68 1HG1 ILE 68 -2.490 4.749 -7.240 536 HG21 ILE 68 1HG2 ILE 68 1.218 4.450 -7.512 537 HG22 ILE 68 2HG2 ILE 68 0.618 4.067 -9.126 538 HG23 ILE 68 3HG2 ILE 68 1.188 2.777 -8.068 539 HD11 ILE 68 3HD1 ILE 68 -0.889 5.496 -5.550 540 HD12 ILE 68 1HD1 ILE 68 -1.436 6.822 -6.575 541 HD13 ILE 68 2HD1 ILE 68 0.159 6.114 -6.827 542 H PHE 69 H PHE 69 -1.245 0.904 -6.456 543 HA PHE 69 HA PHE 69 0.990 -0.549 -7.286 544 HB2 PHE 69 2HB PHE 69 0.095 -0.456 -4.960 545 HB3 PHE 69 1HB PHE 69 -1.211 -1.524 -5.461 546 HD1 PHE 69 2HD PHE 69 2.473 -1.295 -5.160 547 HD2 PHE 69 1HD PHE 69 -0.922 -3.839 -5.472 548 HE1 PHE 69 2HE PHE 69 3.894 -3.244 -4.670 549 HE2 PHE 69 1HE PHE 69 0.490 -5.793 -4.983 550 HZ PHE 69 HZ PHE 69 2.902 -5.497 -4.580 551 H GLN 70 H GLN 70 -2.426 -1.068 -7.939 552 HA GLN 70 HA GLN 70 -2.091 -3.712 -8.947 553 HB2 GLN 70 2HB GLN 70 -4.394 -3.563 -9.655 554 HB3 GLN 70 1HB GLN 70 -4.238 -2.868 -8.052 555 HG2 GLN 70 2HG GLN 70 -4.223 -0.618 -9.076 556 HG3 GLN 70 1HG GLN 70 -4.504 -1.369 -10.645 557 HE21 GLN 70 1HE2 GLN 70 -6.465 -0.339 -10.934 558 HE22 GLN 70 2HE2 GLN 70 -7.879 -0.763 -10.037 559 H LYS 71 H LYS 71 -2.734 -0.621 -10.597 560 HA LYS 71 HA LYS 71 -2.466 -1.666 -13.201 561 HB2 LYS 71 2HB LYS 71 -2.281 1.154 -12.150 562 HB3 LYS 71 1HB LYS 71 -2.278 0.748 -13.860 563 HG2 LYS 71 2HG LYS 71 -4.491 -0.176 -13.700 564 HG3 LYS 71 1HG LYS 71 -4.494 0.045 -11.949 565 HD2 LYS 71 2HD LYS 71 -5.772 1.816 -12.965 566 HD3 LYS 71 1HD LYS 71 -4.280 2.490 -12.304 567 HE2 LYS 71 2HE LYS 71 -4.791 3.406 -14.518 568 HE3 LYS 71 1HE LYS 71 -3.280 2.498 -14.520 569 HZ1 LYS 71 3HZ LYS 71 -4.618 1.985 -16.461 570 HZ2 LYS 71 1HZ LYS 71 -5.906 1.493 -15.480 571 HZ3 LYS 71 2HZ LYS 71 -4.460 0.616 -15.480 572 H LEU 72 H LEU 72 -0.057 -1.189 -10.900 573 HA LEU 72 HA LEU 72 1.945 -0.480 -12.935 574 HB2 LEU 72 2HB LEU 72 1.613 -0.014 -10.101 575 HB3 LEU 72 1HB LEU 72 3.204 -0.637 -10.477 576 HG LEU 72 HG LEU 72 3.178 1.798 -10.413 577 HD11 LEU 72 1HD1 LEU 72 4.774 0.692 -11.875 578 HD12 LEU 72 2HD1 LEU 72 4.238 2.218 -12.579 579 HD13 LEU 72 3HD1 LEU 72 3.594 0.693 -13.186 580 HD21 LEU 72 3HD2 LEU 72 1.971 3.091 -12.092 581 HD22 LEU 72 1HD2 LEU 72 0.860 2.160 -11.089 582 HD23 LEU 72 2HD2 LEU 72 1.247 1.610 -12.720 583 H ASN 73 H ASN 73 1.369 -2.975 -10.431 584 HA ASN 73 HA ASN 73 3.490 -4.523 -11.770 585 HB2 ASN 73 2HB ASN 73 4.183 -3.662 -9.558 586 HB3 ASN 73 1HB ASN 73 2.877 -4.584 -8.820 587 HD21 ASN 73 1HD2 ASN 73 4.396 -5.734 -7.591 588 HD22 ASN 73 2HD2 ASN 73 5.350 -6.994 -8.288 589 H TYR 74 H TYR 74 0.613 -4.947 -9.699 590 HA TYR 74 HA TYR 74 0.104 -7.456 -11.141 591 HB2 TYR 74 2HB TYR 74 0.344 -7.169 -8.160 592 HB3 TYR 74 1HB TYR 74 -0.552 -8.492 -8.895 593 HD1 TYR 74 1HD TYR 74 0.957 -9.478 -11.042 594 HD2 TYR 74 2HD TYR 74 2.412 -7.836 -7.396 595 HE1 TYR 74 1HE TYR 74 3.040 -10.758 -11.304 596 HE2 TYR 74 2HE TYR 74 4.499 -9.110 -7.650 597 HH TYR 74 HH TYR 74 5.397 -10.619 -10.528 598 H MET 75 H MET 75 -1.438 -5.629 -11.995 599 HA MET 75 HA MET 75 -3.627 -4.739 -10.570 600 HB2 MET 75 2HB MET 75 -4.805 -4.587 -12.731 601 HB3 MET 75 1HB MET 75 -3.164 -3.964 -12.821 602 HG2 MET 75 2HG MET 75 -2.413 -5.991 -13.897 603 HG3 MET 75 1HG MET 75 -4.017 -6.704 -13.727 604 HE1 MET 75 3HE MET 75 -3.194 -2.967 -14.640 605 HE2 MET 75 1HE MET 75 -3.136 -3.043 -16.401 606 HE3 MET 75 2HE MET 75 -1.904 -3.863 -15.441 607 H HIS 76 H HIS 76 -2.888 -7.949 -11.502 608 HA HIS 76 HA HIS 76 -5.596 -8.929 -11.395 609 HB2 HIS 76 2HB HIS 76 -2.947 -10.385 -11.451 610 HB3 HIS 76 1HB HIS 76 -4.521 -11.166 -11.557 611 HD1 HIS 76 1HD HIS 76 -5.677 -11.156 -13.840 612 HD2 HIS 76 2HD HIS 76 -2.220 -8.855 -13.719 613 HE1 HIS 76 1HE HIS 76 -5.156 -10.531 -16.235 614 H ILE 77 H ILE 77 -2.704 -9.269 -9.342 615 HA ILE 77 HA ILE 77 -3.956 -10.744 -7.294 616 HB ILE 77 HB ILE 77 -1.492 -9.005 -7.246 617 HG12 ILE 77 2HG1 ILE 77 -1.842 -12.012 -7.287 618 HG13 ILE 77 1HG1 ILE 77 -1.393 -11.021 -8.670 619 HG21 ILE 77 1HG2 ILE 77 -2.558 -10.840 -5.103 620 HG22 ILE 77 2HG2 ILE 77 -2.350 -9.092 -4.997 621 HG23 ILE 77 3HG2 ILE 77 -0.939 -10.141 -5.115 622 HD11 ILE 77 3HD1 ILE 77 0.667 -10.371 -7.523 623 HD12 ILE 77 1HD1 ILE 77 0.546 -12.118 -7.723 624 HD13 ILE 77 2HD1 ILE 77 0.216 -11.385 -6.153 625 H ALA 78 H ALA 78 -3.220 -7.266 -7.518 626 HA ALA 78 HA ALA 78 -4.198 -6.485 -5.042 627 HB1 ALA 78 1HB ALA 78 -2.889 -5.033 -6.522 628 HB2 ALA 78 2HB ALA 78 -4.366 -4.248 -5.959 629 HB3 ALA 78 3HB ALA 78 -4.279 -4.893 -7.598 630 H ASN 79 H ASN 79 -5.928 -7.225 -7.989 631 HA ASN 79 HA ASN 79 -8.367 -6.004 -7.532 632 HB2 ASN 79 2HB ASN 79 -7.731 -7.253 -9.599 633 HB3 ASN 79 1HB ASN 79 -7.976 -8.759 -8.719 634 HD21 ASN 79 1HD2 ASN 79 -10.059 -9.380 -8.145 635 HD22 ASN 79 2HD2 ASN 79 -11.457 -8.688 -8.887 636 H ALA 80 H ALA 80 -7.081 -8.979 -6.169 637 HA ALA 80 HA ALA 80 -9.507 -9.779 -4.901 638 HB1 ALA 80 1HB ALA 80 -6.664 -10.606 -4.330 639 HB2 ALA 80 2HB ALA 80 -7.772 -11.396 -5.450 640 HB3 ALA 80 3HB ALA 80 -8.111 -11.406 -3.719 641 H LEU 81 H LEU 81 -6.792 -7.773 -3.991 642 HA LEU 81 HA LEU 81 -7.330 -7.713 -1.198 643 HB2 LEU 81 2HB LEU 81 -5.851 -5.627 -2.786 644 HB3 LEU 81 1HB LEU 81 -5.679 -5.993 -1.079 645 HG LEU 81 HG LEU 81 -4.867 -7.810 -3.351 646 HD11 LEU 81 1HD1 LEU 81 -3.426 -5.854 -3.145 647 HD12 LEU 81 2HD1 LEU 81 -2.588 -7.321 -2.642 648 HD13 LEU 81 3HD1 LEU 81 -3.199 -6.194 -1.431 649 HD21 LEU 81 3HD2 LEU 81 -3.828 -9.167 -1.593 650 HD22 LEU 81 1HD2 LEU 81 -5.579 -9.078 -1.405 651 HD23 LEU 81 2HD2 LEU 81 -4.532 -8.109 -0.369 652 H GLU 82 H GLU 82 -8.072 -5.446 -3.844 653 HA GLU 82 HA GLU 82 -9.199 -3.407 -2.334 654 HB2 GLU 82 2HB GLU 82 -10.338 -2.705 -4.369 655 HB3 GLU 82 1HB GLU 82 -8.688 -3.196 -4.720 656 HG2 GLU 82 2HG GLU 82 -9.489 -5.338 -5.544 657 HG3 GLU 82 1HG GLU 82 -11.146 -4.868 -5.174 658 H GLU 83 H GLU 83 -10.506 -6.520 -3.135 659 HA GLU 83 HA GLU 83 -13.243 -6.023 -2.861 660 HB2 GLU 83 2HB GLU 83 -12.293 -8.143 -3.700 661 HB3 GLU 83 1HB GLU 83 -11.722 -8.518 -2.080 662 HG2 GLU 83 2HG GLU 83 -14.011 -8.600 -1.271 663 HG3 GLU 83 1HG GLU 83 -14.606 -8.173 -2.875 664 H LYS 84 H LYS 84 -10.739 -6.488 -0.465 665 HA LYS 84 HA LYS 84 -12.399 -6.882 1.783 666 HB2 LYS 84 2HB LYS 84 -9.948 -7.370 1.684 667 HB3 LYS 84 1HB LYS 84 -9.645 -5.639 1.742 668 HG2 LYS 84 2HG LYS 84 -10.739 -5.522 3.928 669 HG3 LYS 84 1HG LYS 84 -11.031 -7.261 3.869 670 HD2 LYS 84 2HD LYS 84 -8.313 -5.947 3.815 671 HD3 LYS 84 1HD LYS 84 -9.063 -6.677 5.235 672 HE2 LYS 84 2HE LYS 84 -8.305 -8.087 2.679 673 HE3 LYS 84 1HE LYS 84 -7.477 -8.216 4.229 674 HZ1 LYS 84 3HZ LYS 84 -9.480 -9.190 5.172 675 HZ2 LYS 84 1HZ LYS 84 -8.939 -10.098 3.852 676 HZ3 LYS 84 2HZ LYS 84 -10.270 -9.069 3.682 677 H LYS 85 H LYS 85 -11.412 -4.034 0.054 678 HA LYS 85 HA LYS 85 -11.711 -2.031 1.922 679 HB2 LYS 85 2HB LYS 85 -10.932 -1.687 -0.392 680 HB3 LYS 85 1HB LYS 85 -12.571 -1.944 -0.974 681 HG2 LYS 85 2HG LYS 85 -13.297 0.030 0.329 682 HG3 LYS 85 1HG LYS 85 -11.613 0.309 0.777 683 HD2 LYS 85 2HD LYS 85 -12.509 0.126 -2.088 684 HD3 LYS 85 1HD LYS 85 -12.525 1.646 -1.191 685 HE2 LYS 85 2HE LYS 85 -10.478 1.620 -2.356 686 HE3 LYS 85 1HE LYS 85 -10.077 1.208 -0.691 687 HZ1 LYS 85 3HZ LYS 85 -9.837 -1.059 -1.266 688 HZ2 LYS 85 1HZ LYS 85 -8.981 -0.182 -2.432 689 HZ3 LYS 85 2HZ LYS 85 -10.500 -0.827 -2.805 690 H LYS 86 H LYS 86 -14.232 -3.740 0.134 691 HA LYS 86 HA LYS 86 -16.408 -2.124 0.760 692 HB2 LYS 86 2HB LYS 86 -16.461 -4.008 -0.847 693 HB3 LYS 86 1HB LYS 86 -16.388 -5.136 0.500 694 HG2 LYS 86 2HG LYS 86 -18.656 -4.937 -0.302 695 HG3 LYS 86 1HG LYS 86 -18.531 -4.268 1.327 696 HD2 LYS 86 2HD LYS 86 -19.883 -2.795 -0.007 697 HD3 LYS 86 1HD LYS 86 -18.342 -2.001 0.317 698 HE2 LYS 86 2HE LYS 86 -17.554 -2.792 -1.917 699 HE3 LYS 86 1HE LYS 86 -19.187 -3.377 -2.228 700 HZ1 LYS 86 3HZ LYS 86 -18.413 -0.561 -1.698 701 HZ2 LYS 86 1HZ LYS 86 -19.996 -1.106 -1.943 702 HZ3 LYS 86 2HZ LYS 86 -18.863 -1.206 -3.195 703 H GLU 87 H GLU 87 -14.811 -4.617 2.645 704 HA GLU 87 HA GLU 87 -16.762 -4.615 4.751 705 HB2 GLU 87 2HB GLU 87 -15.384 -6.596 4.246 706 HB3 GLU 87 1HB GLU 87 -13.942 -5.704 4.711 707 HG2 GLU 87 2HG GLU 87 -14.793 -5.505 6.989 708 HG3 GLU 87 1HG GLU 87 -16.244 -6.393 6.524 709 H ALA 88 H ALA 88 -13.830 -2.901 4.023 710 HA ALA 88 HA ALA 88 -13.226 -1.942 6.607 711 HB1 ALA 88 1HB ALA 88 -12.608 -0.691 3.933 712 HB2 ALA 88 2HB ALA 88 -11.624 -1.899 4.759 713 HB3 ALA 88 3HB ALA 88 -11.834 -0.297 5.468 714 H GLU 89 H GLU 89 -15.511 -0.939 4.190 715 HA GLU 89 HA GLU 89 -15.992 1.693 4.844 716 HB2 GLU 89 2HB GLU 89 -18.018 -0.409 4.062 717 HB3 GLU 89 1HB GLU 89 -18.284 1.327 4.000 718 HG2 GLU 89 2HG GLU 89 -16.212 -0.175 2.418 719 HG3 GLU 89 1HG GLU 89 -17.767 0.383 1.805 720 H ARG 90 H ARG 90 -17.587 -1.172 6.258 721 HA ARG 90 HA ARG 90 -19.053 0.351 8.165 722 HB2 ARG 90 2HB ARG 90 -19.608 -1.823 9.170 723 HB3 ARG 90 1HB ARG 90 -19.852 -1.823 7.429 724 HG2 ARG 90 2HG ARG 90 -17.802 -3.040 7.095 725 HG3 ARG 90 1HG ARG 90 -17.428 -2.944 8.817 726 HD2 ARG 90 2HD ARG 90 -18.338 -5.133 8.223 727 HD3 ARG 90 1HD ARG 90 -19.406 -4.271 9.330 728 HE ARG 90 HE ARG 90 -20.147 -3.821 6.624 729 HH11 ARG 90 1HH1 ARG 90 -20.298 -6.188 9.177 730 HH12 ARG 90 2HH1 ARG 90 -21.743 -6.932 8.578 731 HH21 ARG 90 1HH2 ARG 90 -22.047 -4.796 5.826 732 HH22 ARG 90 2HH2 ARG 90 -22.737 -6.141 6.672 733 H LYS 91 H LYS 91 -15.845 -0.931 8.096 734 HA LYS 91 HA LYS 91 -15.400 -1.130 10.884 735 HB2 LYS 91 2HB LYS 91 -13.508 -0.735 8.568 736 HB3 LYS 91 1HB LYS 91 -12.960 -0.922 10.227 737 HG2 LYS 91 2HG LYS 91 -14.009 -3.127 10.328 738 HG3 LYS 91 1HG LYS 91 -14.562 -2.938 8.664 739 HD2 LYS 91 2HD LYS 91 -12.556 -4.293 8.710 740 HD3 LYS 91 1HD LYS 91 -12.212 -2.746 7.933 741 HE2 LYS 91 2HE LYS 91 -10.419 -3.394 9.462 742 HE3 LYS 91 1HE LYS 91 -11.216 -1.915 9.998 743 HZ1 LYS 91 3HZ LYS 91 -11.712 -4.640 11.074 744 HZ2 LYS 91 1HZ LYS 91 -12.486 -3.224 11.588 745 HZ3 LYS 91 2HZ LYS 91 -10.825 -3.421 11.841 746 H LEU 92 H LEU 92 -15.376 1.549 8.661 747 HA LEU 92 HA LEU 92 -14.301 3.309 10.753 748 HB2 LEU 92 2HB LEU 92 -14.528 3.601 7.769 749 HB3 LEU 92 1HB LEU 92 -14.218 4.980 8.803 750 HG LEU 92 HG LEU 92 -12.139 4.188 7.869 751 HD11 LEU 92 1HD1 LEU 92 -12.081 5.062 10.147 752 HD12 LEU 92 2HD1 LEU 92 -10.859 3.814 9.902 753 HD13 LEU 92 3HD1 LEU 92 -12.341 3.436 10.779 754 HD21 LEU 92 3HD2 LEU 92 -11.281 1.952 8.314 755 HD22 LEU 92 1HD2 LEU 92 -12.801 1.880 7.420 756 HD23 LEU 92 2HD2 LEU 92 -12.777 1.534 9.149 757 H MET 93 H MET 93 -17.203 2.294 9.481 758 HA MET 93 HA MET 93 -18.535 4.843 10.113 759 HB2 MET 93 2HB MET 93 -18.850 3.861 7.809 760 HB3 MET 93 1HB MET 93 -19.691 2.518 8.568 761 HG2 MET 93 2HG MET 93 -21.385 4.025 9.422 762 HG3 MET 93 1HG MET 93 -20.525 5.405 8.743 763 HE1 MET 93 3HE MET 93 -19.562 4.443 5.951 764 HE2 MET 93 1HE MET 93 -20.405 5.974 6.180 765 HE3 MET 93 2HE MET 93 -20.923 4.864 4.911 766 H THR 94 H THR 94 -17.687 2.192 11.664 767 HA THR 94 HA THR 94 -20.061 1.131 12.750 768 HB THR 94 HB THR 94 -17.944 -0.057 12.951 769 HG1 THR 94 1HG THR 94 -18.132 0.050 15.550 770 HG21 THR 94 3HG2 THR 94 -16.204 0.688 14.496 771 HG22 THR 94 1HG2 THR 94 -17.126 2.152 14.842 772 HG23 THR 94 2HG2 THR 94 -16.468 1.885 13.228 773 H ASN 95 H ASN 95 -21.199 1.592 14.605 774 HA ASN 95 HA ASN 95 -21.258 4.306 15.436 775 HB2 ASN 95 2HB ASN 95 -22.621 1.847 16.543 776 HB3 ASN 95 1HB ASN 95 -22.931 3.480 17.123 777 HD21 ASN 95 1HD2 ASN 95 -25.070 3.449 16.506 778 HD22 ASN 95 2HD2 ASN 95 -25.566 3.511 14.852 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -9.560 -2.934 14.135 2 H2 MET 1 2HT MET 1 -8.335 -3.181 12.995 3 H3 MET 1 3HT MET 1 -9.858 -2.644 12.494 4 HA MET 1 HA MET 1 -9.562 -0.582 13.707 5 HB2 MET 1 2HB MET 1 -6.786 -1.671 14.221 6 HB3 MET 1 1HB MET 1 -7.337 -0.051 14.621 7 HG2 MET 1 2HG MET 1 -8.975 -0.991 16.171 8 HG3 MET 1 1HG MET 1 -8.417 -2.614 15.772 9 HE1 MET 1 2HE MET 1 -5.872 0.547 17.969 10 HE2 MET 1 3HE MET 1 -7.555 0.790 17.503 11 HE3 MET 1 1HE MET 1 -6.305 0.683 16.264 12 H GLU 2 H GLU 2 -8.365 1.256 12.780 13 HA GLU 2 HA GLU 2 -8.061 0.938 9.970 14 HB2 GLU 2 2HB GLU 2 -8.934 3.001 10.944 15 HB3 GLU 2 1HB GLU 2 -7.399 3.290 11.752 16 HG2 GLU 2 2HG GLU 2 -6.302 3.508 9.577 17 HG3 GLU 2 1HG GLU 2 -7.848 3.229 8.775 18 H SER 3 H SER 3 -5.810 1.186 12.658 19 HA SER 3 HA SER 3 -3.461 1.703 11.241 20 HB2 SER 3 2HB SER 3 -2.284 0.712 13.176 21 HB3 SER 3 1HB SER 3 -3.562 1.815 13.683 22 HG SER 3 HG SER 3 -4.872 -0.238 13.761 23 H GLU 4 H GLU 4 -5.060 -1.362 11.986 24 HA GLU 4 HA GLU 4 -3.030 -2.968 10.761 25 HB2 GLU 4 2HB GLU 4 -4.407 -3.892 12.537 26 HB3 GLU 4 1HB GLU 4 -5.863 -3.620 11.589 27 HG2 GLU 4 2HG GLU 4 -5.046 -5.225 9.915 28 HG3 GLU 4 1HG GLU 4 -3.633 -5.529 10.925 29 H TYR 5 H TYR 5 -6.004 -1.468 9.720 30 HA TYR 5 HA TYR 5 -6.500 -2.935 7.395 31 HB2 TYR 5 2HB TYR 5 -8.151 -1.414 8.292 32 HB3 TYR 5 1HB TYR 5 -7.083 -0.040 8.033 33 HD1 TYR 5 2HD TYR 5 -8.375 -2.871 5.945 34 HD2 TYR 5 1HD TYR 5 -7.732 1.320 6.301 35 HE1 TYR 5 2HE TYR 5 -9.346 -2.538 3.712 36 HE2 TYR 5 1HE TYR 5 -8.702 1.664 4.067 37 HH TYR 5 HH TYR 5 -10.425 -0.751 2.419 38 H ARG 6 H ARG 6 -4.474 -0.065 7.892 39 HA ARG 6 HA ARG 6 -3.748 0.069 5.104 40 HB2 ARG 6 2HB ARG 6 -2.272 1.907 5.805 41 HB3 ARG 6 1HB ARG 6 -3.915 2.123 6.394 42 HG2 ARG 6 2HG ARG 6 -3.204 1.259 8.594 43 HG3 ARG 6 1HG ARG 6 -1.550 1.155 7.988 44 HD2 ARG 6 2HD ARG 6 -1.579 3.573 7.547 45 HD3 ARG 6 1HD ARG 6 -3.215 3.663 8.197 46 HE ARG 6 HE ARG 6 -1.262 2.541 10.003 47 HH11 ARG 6 1HH1 ARG 6 -2.835 5.440 8.876 48 HH12 ARG 6 2HH1 ARG 6 -2.506 6.334 10.322 49 HH21 ARG 6 1HH2 ARG 6 -0.826 3.710 11.910 50 HH22 ARG 6 2HH2 ARG 6 -1.363 5.351 12.048 51 H GLU 7 H GLU 7 -2.337 -1.156 8.068 52 HA GLU 7 HA GLU 7 0.293 -1.524 7.131 53 HB2 GLU 7 2HB GLU 7 -0.326 -1.556 9.515 54 HB3 GLU 7 1HB GLU 7 -1.181 -3.072 9.266 55 HG2 GLU 7 2HG GLU 7 0.938 -4.131 8.604 56 HG3 GLU 7 1HG GLU 7 1.775 -2.616 8.937 57 H MET 8 H MET 8 -2.468 -3.774 7.243 58 HA MET 8 HA MET 8 -0.982 -5.932 6.113 59 HB2 MET 8 2HB MET 8 -3.059 -7.139 6.060 60 HB3 MET 8 1HB MET 8 -2.964 -6.250 7.573 61 HG2 MET 8 2HG MET 8 -4.424 -4.512 6.597 62 HG3 MET 8 1HG MET 8 -4.573 -5.497 5.144 63 HE1 MET 8 3HE MET 8 -6.442 -8.661 6.481 64 HE2 MET 8 1HE MET 8 -4.697 -8.447 6.358 65 HE3 MET 8 2HE MET 8 -5.750 -7.861 5.070 66 H LEU 9 H LEU 9 -3.285 -3.585 4.783 67 HA LEU 9 HA LEU 9 -3.579 -4.683 2.246 68 HB2 LEU 9 2HB LEU 9 -4.947 -2.842 3.091 69 HB3 LEU 9 1HB LEU 9 -3.560 -1.770 3.029 70 HG LEU 9 HG LEU 9 -4.215 -3.069 0.471 71 HD11 LEU 9 1HD1 LEU 9 -6.076 -1.443 0.055 72 HD12 LEU 9 2HD1 LEU 9 -6.123 -1.156 1.794 73 HD13 LEU 9 3HD1 LEU 9 -6.468 -2.762 1.157 74 HD21 LEU 9 3HD2 LEU 9 -3.814 -0.799 -0.358 75 HD22 LEU 9 1HD2 LEU 9 -2.495 -1.359 0.671 76 HD23 LEU 9 2HD2 LEU 9 -3.683 -0.219 1.303 77 H LEU 10 H LEU 10 -0.951 -2.790 3.573 78 HA LEU 10 HA LEU 10 0.290 -2.367 1.003 79 HB2 LEU 10 2HB LEU 10 1.308 -1.896 3.803 80 HB3 LEU 10 1HB LEU 10 2.153 -1.424 2.342 81 HG LEU 10 HG LEU 10 -0.575 -0.390 3.109 82 HD11 LEU 10 1HD1 LEU 10 0.566 1.664 3.760 83 HD12 LEU 10 2HD1 LEU 10 2.126 0.903 3.451 84 HD13 LEU 10 3HD1 LEU 10 1.094 0.303 4.749 85 HD21 LEU 10 3HD2 LEU 10 1.415 0.499 1.025 86 HD22 LEU 10 1HD2 LEU 10 -0.097 1.318 1.415 87 HD23 LEU 10 2HD2 LEU 10 -0.125 -0.304 0.721 88 H LEU 11 H LEU 11 1.186 -4.202 3.934 89 HA LEU 11 HA LEU 11 3.451 -5.428 2.866 90 HB2 LEU 11 2HB LEU 11 3.605 -5.995 5.000 91 HB3 LEU 11 1HB LEU 11 1.932 -5.560 5.269 92 HG LEU 11 HG LEU 11 2.618 -8.262 4.154 93 HD11 LEU 11 1HD1 LEU 11 2.700 -9.139 6.432 94 HD12 LEU 11 2HD1 LEU 11 2.608 -7.497 7.070 95 HD13 LEU 11 3HD1 LEU 11 4.015 -8.002 6.134 96 HD21 LEU 11 3HD2 LEU 11 0.277 -7.520 4.165 97 HD22 LEU 11 1HD2 LEU 11 0.374 -7.263 5.907 98 HD23 LEU 11 2HD2 LEU 11 0.538 -8.890 5.245 99 H THR 12 H THR 12 0.098 -6.182 2.387 100 HA THR 12 HA THR 12 0.428 -8.882 1.575 101 HB THR 12 HB THR 12 -1.795 -8.467 0.357 102 HG1 THR 12 1HG THR 12 -2.458 -6.468 0.292 103 HG21 THR 12 3HG2 THR 12 -1.559 -7.988 3.329 104 HG22 THR 12 1HG2 THR 12 -1.707 -9.548 2.520 105 HG23 THR 12 2HG2 THR 12 -3.053 -8.409 2.490 106 H GLY 13 H GLY 13 1.517 -6.075 0.176 107 HA2 GLY 13 2HA GLY 13 1.578 -7.340 -2.493 108 HA3 GLY 13 1HA GLY 13 1.408 -5.606 -2.274 109 H LEU 14 H LEU 14 3.312 -5.213 -0.243 110 HA LEU 14 HA LEU 14 5.657 -4.896 -1.725 111 HB2 LEU 14 2HB LEU 14 5.013 -4.777 1.194 112 HB3 LEU 14 1HB LEU 14 6.690 -4.735 0.692 113 HG LEU 14 HG LEU 14 5.894 -2.487 1.052 114 HD11 LEU 14 1HD1 LEU 14 6.412 -1.494 -1.107 115 HD12 LEU 14 2HD1 LEU 14 6.181 -3.055 -1.894 116 HD13 LEU 14 3HD1 LEU 14 7.503 -2.832 -0.749 117 HD21 LEU 14 3HD2 LEU 14 3.763 -3.157 -0.974 118 HD22 LEU 14 1HD2 LEU 14 4.089 -1.544 -0.339 119 HD23 LEU 14 2HD2 LEU 14 3.525 -2.819 0.741 120 H ASP 15 H ASP 15 4.836 -7.346 0.709 121 HA ASP 15 HA ASP 15 7.330 -8.740 0.341 122 HB2 ASP 15 2HB ASP 15 4.849 -9.561 1.863 123 HB3 ASP 15 1HB ASP 15 6.425 -10.338 1.965 124 H HIS 16 H HIS 16 4.980 -8.477 -1.762 125 HA HIS 16 HA HIS 16 5.034 -11.327 -2.510 126 HB2 HIS 16 2HB HIS 16 2.825 -9.305 -2.900 127 HB3 HIS 16 1HB HIS 16 2.854 -10.879 -3.689 128 HD1 HIS 16 1HD HIS 16 1.516 -12.585 -2.465 129 HD2 HIS 16 2HD HIS 16 3.082 -9.703 0.085 130 HE1 HIS 16 1HE HIS 16 0.686 -13.162 -0.146 131 H ILE 17 H ILE 17 5.951 -8.201 -3.397 132 HA ILE 17 HA ILE 17 6.033 -8.868 -6.252 133 HB ILE 17 HB ILE 17 6.744 -6.496 -6.563 134 HG12 ILE 17 2HG1 ILE 17 6.031 -6.245 -3.632 135 HG13 ILE 17 1HG1 ILE 17 7.668 -6.184 -4.277 136 HG21 ILE 17 1HG2 ILE 17 4.125 -6.942 -5.138 137 HG22 ILE 17 2HG2 ILE 17 4.430 -7.172 -6.859 138 HG23 ILE 17 3HG2 ILE 17 4.516 -5.556 -6.157 139 HD11 ILE 17 3HD1 ILE 17 7.171 -4.165 -5.475 140 HD12 ILE 17 1HD1 ILE 17 6.719 -3.965 -3.782 141 HD13 ILE 17 2HD1 ILE 17 5.476 -4.255 -4.999 142 H THR 18 H THR 18 8.074 -7.873 -7.364 143 HA THR 18 HA THR 18 10.345 -9.259 -6.227 144 HB THR 18 HB THR 18 10.277 -7.656 -8.786 145 HG1 THR 18 1HG THR 18 9.630 -10.400 -8.343 146 HG21 THR 18 3HG2 THR 18 12.075 -9.252 -9.436 147 HG22 THR 18 1HG2 THR 18 12.046 -9.891 -7.793 148 HG23 THR 18 2HG2 THR 18 12.512 -8.214 -8.079 149 H GLU 19 H GLU 19 12.437 -8.283 -5.967 150 HA GLU 19 HA GLU 19 12.452 -5.979 -4.417 151 HB2 GLU 19 2HB GLU 19 14.738 -7.197 -5.973 152 HB3 GLU 19 1HB GLU 19 14.907 -6.028 -4.670 153 HG2 GLU 19 2HG GLU 19 13.944 -7.610 -3.101 154 HG3 GLU 19 1HG GLU 19 13.713 -8.779 -4.402 155 H GLU 20 H GLU 20 13.150 -6.378 -7.864 156 HA GLU 20 HA GLU 20 13.984 -3.723 -8.336 157 HB2 GLU 20 2HB GLU 20 13.633 -4.227 -10.703 158 HB3 GLU 20 1HB GLU 20 14.456 -5.554 -9.896 159 HG2 GLU 20 2HG GLU 20 12.346 -6.779 -9.759 160 HG3 GLU 20 1HG GLU 20 11.526 -5.451 -10.579 161 H GLU 21 H GLU 21 10.841 -5.230 -8.173 162 HA GLU 21 HA GLU 21 9.390 -3.105 -9.396 163 HB2 GLU 21 2HB GLU 21 8.470 -5.310 -7.544 164 HB3 GLU 21 1HB GLU 21 7.399 -4.228 -8.423 165 HG2 GLU 21 2HG GLU 21 9.346 -6.162 -9.660 166 HG3 GLU 21 1HG GLU 21 7.605 -6.394 -9.520 167 H LEU 22 H LEU 22 10.541 -3.741 -6.181 168 HA LEU 22 HA LEU 22 8.860 -2.182 -4.633 169 HB2 LEU 22 2HB LEU 22 11.834 -2.602 -4.358 170 HB3 LEU 22 1HB LEU 22 10.818 -1.892 -3.119 171 HG LEU 22 HG LEU 22 10.452 -4.689 -4.193 172 HD11 LEU 22 1HD1 LEU 22 11.460 -5.433 -2.088 173 HD12 LEU 22 2HD1 LEU 22 11.820 -3.757 -1.672 174 HD13 LEU 22 3HD1 LEU 22 12.598 -4.506 -3.066 175 HD21 LEU 22 3HD2 LEU 22 9.006 -4.991 -2.280 176 HD22 LEU 22 1HD2 LEU 22 8.445 -3.618 -3.233 177 HD23 LEU 22 2HD2 LEU 22 9.332 -3.347 -1.735 178 H LYS 23 H LYS 23 11.823 -1.165 -6.327 179 HA LYS 23 HA LYS 23 11.690 1.535 -5.516 180 HB2 LYS 23 2HB LYS 23 13.104 0.126 -7.764 181 HB3 LYS 23 1HB LYS 23 13.184 1.873 -7.593 182 HG2 LYS 23 2HG LYS 23 15.122 0.960 -6.575 183 HG3 LYS 23 1HG LYS 23 14.065 1.531 -5.282 184 HD2 LYS 23 2HD LYS 23 13.255 -0.782 -4.970 185 HD3 LYS 23 1HD LYS 23 14.389 -1.323 -6.210 186 HE2 LYS 23 2HE LYS 23 15.095 -0.004 -3.589 187 HE3 LYS 23 1HE LYS 23 15.297 -1.710 -3.985 188 HZ1 LYS 23 3HZ LYS 23 16.862 -1.076 -5.721 189 HZ2 LYS 23 1HZ LYS 23 17.375 -0.513 -4.209 190 HZ3 LYS 23 2HZ LYS 23 16.677 0.556 -5.319 191 H ARG 24 H ARG 24 10.316 -0.191 -8.249 192 HA ARG 24 HA ARG 24 9.564 2.036 -9.790 193 HB2 ARG 24 2HB ARG 24 8.370 -0.730 -9.602 194 HB3 ARG 24 1HB ARG 24 7.876 0.464 -10.794 195 HG2 ARG 24 2HG ARG 24 10.180 0.516 -11.659 196 HG3 ARG 24 1HG ARG 24 10.621 -0.738 -10.498 197 HD2 ARG 24 2HD ARG 24 9.036 -2.270 -11.511 198 HD3 ARG 24 1HD ARG 24 8.502 -1.014 -12.626 199 HE ARG 24 HE ARG 24 11.308 -1.511 -12.815 200 HH11 ARG 24 1HH1 ARG 24 8.172 -2.663 -13.809 201 HH12 ARG 24 2HH1 ARG 24 8.767 -3.436 -15.240 202 HH21 ARG 24 1HH2 ARG 24 12.099 -2.526 -14.699 203 HH22 ARG 24 2HH2 ARG 24 10.998 -3.358 -15.746 204 H PHE 25 H PHE 25 8.007 0.429 -7.084 205 HA PHE 25 HA PHE 25 5.500 1.754 -7.365 206 HB2 PHE 25 2HB PHE 25 5.707 -0.383 -6.184 207 HB3 PHE 25 1HB PHE 25 6.713 0.381 -4.959 208 HD1 PHE 25 2HD PHE 25 3.389 0.953 -6.568 209 HD2 PHE 25 1HD PHE 25 5.679 0.883 -2.980 210 HE1 PHE 25 2HE PHE 25 1.373 1.517 -5.275 211 HE2 PHE 25 1HE PHE 25 3.666 1.446 -1.682 212 HZ PHE 25 HZ PHE 25 1.510 1.764 -2.828 213 H LYS 26 H LYS 26 8.170 2.192 -5.036 214 HA LYS 26 HA LYS 26 7.073 4.443 -3.768 215 HB2 LYS 26 2HB LYS 26 9.868 3.363 -3.971 216 HB3 LYS 26 1HB LYS 26 9.537 4.864 -3.119 217 HG2 LYS 26 2HG LYS 26 9.589 3.132 -1.506 218 HG3 LYS 26 1HG LYS 26 7.901 3.604 -1.707 219 HD2 LYS 26 2HD LYS 26 7.546 1.687 -3.189 220 HD3 LYS 26 1HD LYS 26 9.235 1.219 -2.987 221 HE2 LYS 26 2HE LYS 26 7.125 1.336 -0.837 222 HE3 LYS 26 1HE LYS 26 7.826 -0.118 -1.544 223 HZ1 LYS 26 3HZ LYS 26 9.322 1.922 0.013 224 HZ2 LYS 26 1HZ LYS 26 9.964 0.495 -0.631 225 HZ3 LYS 26 2HZ LYS 26 8.812 0.422 0.605 226 H TYR 27 H TYR 27 9.115 4.156 -6.615 227 HA TYR 27 HA TYR 27 9.789 6.903 -6.811 228 HB2 TYR 27 2HB TYR 27 11.027 5.075 -7.956 229 HB3 TYR 27 1HB TYR 27 9.648 4.850 -9.028 230 HD1 TYR 27 2HD TYR 27 12.367 7.158 -8.082 231 HD2 TYR 27 1HD TYR 27 9.264 6.321 -10.871 232 HE1 TYR 27 2HE TYR 27 13.278 8.866 -9.600 233 HE2 TYR 27 1HE TYR 27 10.169 8.026 -12.395 234 HH TYR 27 HH TYR 27 11.569 10.040 -12.285 235 H PHE 28 H PHE 28 7.033 5.032 -7.862 236 HA PHE 28 HA PHE 28 6.040 7.066 -9.636 237 HB2 PHE 28 2HB PHE 28 5.632 4.495 -9.704 238 HB3 PHE 28 1HB PHE 28 4.354 4.840 -8.543 239 HD1 PHE 28 2HD PHE 28 5.503 5.321 -11.986 240 HD2 PHE 28 1HD PHE 28 2.353 5.995 -9.206 241 HE1 PHE 28 2HE PHE 28 3.997 5.916 -13.841 242 HE2 PHE 28 1HE PHE 28 0.842 6.591 -11.054 243 HZ PHE 28 HZ PHE 28 1.664 6.553 -13.375 244 H ALA 29 H ALA 29 4.879 5.744 -6.523 245 HA ALA 29 HA ALA 29 2.904 7.776 -6.195 246 HB1 ALA 29 1HB ALA 29 2.649 5.587 -5.167 247 HB2 ALA 29 2HB ALA 29 2.636 6.855 -3.939 248 HB3 ALA 29 3HB ALA 29 4.079 5.869 -4.176 249 H LEU 30 H LEU 30 6.023 7.161 -4.577 250 HA LEU 30 HA LEU 30 5.952 9.872 -3.478 251 HB2 LEU 30 2HB LEU 30 7.971 7.707 -2.899 252 HB3 LEU 30 1HB LEU 30 7.715 9.186 -1.999 253 HG LEU 30 HG LEU 30 6.724 7.610 -0.635 254 HD11 LEU 30 1HD1 LEU 30 4.305 7.870 -0.779 255 HD12 LEU 30 2HD1 LEU 30 4.465 8.495 -2.420 256 HD13 LEU 30 3HD1 LEU 30 5.135 9.399 -1.063 257 HD21 LEU 30 3HD2 LEU 30 5.555 6.266 -3.065 258 HD22 LEU 30 1HD2 LEU 30 5.380 5.731 -1.395 259 HD23 LEU 30 2HD2 LEU 30 6.968 5.721 -2.162 260 H THR 31 H THR 31 6.473 11.114 -5.261 261 HA THR 31 HA THR 31 8.895 10.512 -6.757 262 HB THR 31 HB THR 31 8.265 12.333 -8.225 263 HG1 THR 31 1HG THR 31 6.417 13.587 -7.761 264 HG21 THR 31 3HG2 THR 31 7.182 10.164 -8.573 265 HG22 THR 31 1HG2 THR 31 6.109 11.491 -9.019 266 HG23 THR 31 2HG2 THR 31 5.874 10.641 -7.490 267 H GLU 32 H GLU 32 7.621 13.127 -4.716 268 HA GLU 32 HA GLU 32 10.239 14.419 -4.735 269 HB2 GLU 32 2HB GLU 32 8.191 15.774 -5.085 270 HB3 GLU 32 1HB GLU 32 7.652 15.336 -3.470 271 HG2 GLU 32 2HG GLU 32 9.577 16.463 -2.503 272 HG3 GLU 32 1HG GLU 32 10.161 16.869 -4.116 273 H PHE 33 H PHE 33 8.448 12.263 -2.802 274 HA PHE 33 HA PHE 33 9.575 13.090 -0.278 275 HB2 PHE 33 2HB PHE 33 8.146 10.516 -0.967 276 HB3 PHE 33 1HB PHE 33 8.448 11.146 0.649 277 HD1 PHE 33 1HD PHE 33 7.455 13.491 1.156 278 HD2 PHE 33 2HD PHE 33 6.140 10.973 -2.013 279 HE1 PHE 33 1HE PHE 33 5.316 14.706 1.083 280 HE2 PHE 33 2HE PHE 33 4.000 12.183 -2.092 281 HZ PHE 33 HZ PHE 33 3.587 14.055 -0.544 282 H GLN 34 H GLN 34 10.451 10.948 -2.845 283 HA GLN 34 HA GLN 34 12.106 9.383 -3.091 284 HB2 GLN 34 2HB GLN 34 13.507 11.606 -1.608 285 HB3 GLN 34 1HB GLN 34 14.350 10.270 -2.381 286 HG2 GLN 34 2HG GLN 34 12.546 12.221 -3.794 287 HG3 GLN 34 1HG GLN 34 14.305 12.314 -3.749 288 HE21 GLN 34 1HE2 GLN 34 11.551 10.601 -4.998 289 HE22 GLN 34 2HE2 GLN 34 12.399 9.707 -6.208 290 H ILE 35 H ILE 35 10.832 7.996 -1.480 291 HA ILE 35 HA ILE 35 11.667 7.726 1.185 292 HB ILE 35 HB ILE 35 10.320 5.814 -0.706 293 HG12 ILE 35 2HG1 ILE 35 9.427 7.244 1.808 294 HG13 ILE 35 1HG1 ILE 35 9.010 7.699 0.159 295 HG21 ILE 35 1HG2 ILE 35 9.965 4.300 1.215 296 HG22 ILE 35 2HG2 ILE 35 11.078 5.284 2.165 297 HG23 ILE 35 3HG2 ILE 35 11.659 4.419 0.743 298 HD11 ILE 35 3HD1 ILE 35 7.796 5.595 -0.106 299 HD12 ILE 35 1HD1 ILE 35 7.173 6.548 1.239 300 HD13 ILE 35 2HD1 ILE 35 8.206 5.154 1.550 301 H ALA 36 H ALA 36 13.248 6.606 2.171 302 HA ALA 36 HA ALA 36 15.614 6.005 0.791 303 HB1 ALA 36 1HB ALA 36 14.753 5.119 3.541 304 HB2 ALA 36 2HB ALA 36 15.571 6.629 3.146 305 HB3 ALA 36 3HB ALA 36 16.402 5.092 2.917 306 H ARG 37 H ARG 37 16.428 4.192 -0.080 307 HA ARG 37 HA ARG 37 14.721 2.030 -0.729 308 HB2 ARG 37 2HB ARG 37 16.696 1.032 -1.760 309 HB3 ARG 37 1HB ARG 37 16.586 2.740 -2.164 310 HG2 ARG 37 2HG ARG 37 18.303 3.293 -0.597 311 HG3 ARG 37 1HG ARG 37 18.317 1.649 0.040 312 HD2 ARG 37 2HD ARG 37 19.107 2.494 -2.743 313 HD3 ARG 37 1HD ARG 37 20.200 2.006 -1.448 314 HE ARG 37 HE ARG 37 18.473 -0.103 -1.777 315 HH11 ARG 37 1HH1 ARG 37 20.714 1.633 -3.805 316 HH12 ARG 37 2HH1 ARG 37 21.082 0.259 -4.792 317 HH21 ARG 37 1HH2 ARG 37 18.955 -1.916 -3.074 318 HH22 ARG 37 2HH2 ARG 37 20.083 -1.756 -4.379 319 H SER 38 H SER 38 17.020 2.566 1.834 320 HA SER 38 HA SER 38 17.406 -0.132 2.588 321 HB2 SER 38 2HB SER 38 18.942 1.648 3.278 322 HB3 SER 38 1HB SER 38 17.667 2.385 4.248 323 HG SER 38 HG SER 38 17.640 0.490 5.518 324 H THR 39 H THR 39 15.046 2.306 3.546 325 HA THR 39 HA THR 39 13.966 1.014 5.777 326 HB THR 39 HB THR 39 11.965 2.380 5.443 327 HG1 THR 39 1HG THR 39 12.001 2.172 3.083 328 HG21 THR 39 3HG2 THR 39 14.541 3.846 4.868 329 HG22 THR 39 1HG2 THR 39 13.907 3.430 6.460 330 HG23 THR 39 2HG2 THR 39 13.052 4.594 5.446 331 H LEU 40 H LEU 40 13.722 0.194 2.464 332 HA LEU 40 HA LEU 40 11.211 -0.976 2.289 333 HB2 LEU 40 2HB LEU 40 13.821 -1.460 0.932 334 HB3 LEU 40 1HB LEU 40 12.515 -2.599 0.672 335 HG LEU 40 HG LEU 40 11.100 -0.831 -0.218 336 HD11 LEU 40 1HD1 LEU 40 12.045 1.417 -0.630 337 HD12 LEU 40 2HD1 LEU 40 13.448 0.973 0.342 338 HD13 LEU 40 3HD1 LEU 40 11.849 1.050 1.083 339 HD21 LEU 40 3HD2 LEU 40 12.558 -2.028 -1.755 340 HD22 LEU 40 1HD2 LEU 40 13.844 -0.857 -1.467 341 HD23 LEU 40 2HD2 LEU 40 12.353 -0.352 -2.262 342 H ASP 41 H ASP 41 13.789 -1.899 4.276 343 HA ASP 41 HA ASP 41 13.584 -4.675 4.362 344 HB2 ASP 41 2HB ASP 41 15.366 -3.430 5.498 345 HB3 ASP 41 1HB ASP 41 14.192 -2.768 6.632 346 H VAL 42 H VAL 42 11.747 -2.208 6.118 347 HA VAL 42 HA VAL 42 9.681 -4.224 6.673 348 HB VAL 42 HB VAL 42 9.326 -2.926 8.891 349 HG11 VAL 42 1HG1 VAL 42 11.650 -4.821 8.544 350 HG12 VAL 42 2HG1 VAL 42 9.961 -5.274 8.774 351 HG13 VAL 42 3HG1 VAL 42 10.840 -4.461 10.068 352 HG21 VAL 42 3HG2 VAL 42 10.894 -1.139 8.505 353 HG22 VAL 42 1HG2 VAL 42 12.215 -2.292 8.311 354 HG23 VAL 42 2HG2 VAL 42 11.435 -2.101 9.881 355 H ALA 43 H ALA 43 10.249 -1.694 4.944 356 HA ALA 43 HA ALA 43 8.608 0.390 5.623 357 HB1 ALA 43 1HB ALA 43 8.558 1.025 3.343 358 HB2 ALA 43 2HB ALA 43 8.891 -0.626 2.818 359 HB3 ALA 43 3HB ALA 43 10.136 0.301 3.656 360 H ASP 44 H ASP 44 7.674 -2.735 4.464 361 HA ASP 44 HA ASP 44 5.138 -2.109 3.489 362 HB2 ASP 44 2HB ASP 44 4.584 -4.499 4.032 363 HB3 ASP 44 1HB ASP 44 6.036 -4.277 3.064 364 H ARG 45 H ARG 45 6.016 -3.191 6.807 365 HA ARG 45 HA ARG 45 3.320 -2.761 7.706 366 HB2 ARG 45 2HB ARG 45 5.613 -3.100 9.585 367 HB3 ARG 45 1HB ARG 45 3.964 -3.687 9.723 368 HG2 ARG 45 2HG ARG 45 4.431 -5.307 7.917 369 HG3 ARG 45 1HG ARG 45 6.108 -4.752 7.900 370 HD2 ARG 45 2HD ARG 45 6.395 -5.447 10.202 371 HD3 ARG 45 1HD ARG 45 4.697 -5.910 10.302 372 HE ARG 45 HE ARG 45 5.660 -7.397 8.241 373 HH11 ARG 45 1HH1 ARG 45 6.638 -6.932 11.554 374 HH12 ARG 45 2HH1 ARG 45 7.266 -8.536 11.729 375 HH21 ARG 45 1HH2 ARG 45 6.485 -9.509 8.461 376 HH22 ARG 45 2HH2 ARG 45 7.178 -10.003 9.971 377 H THR 46 H THR 46 6.380 -1.326 8.862 378 HA THR 46 HA THR 46 4.942 0.735 10.265 379 HB THR 46 HB THR 46 7.910 0.302 10.053 380 HG1 THR 46 1HG THR 46 6.710 -1.441 11.029 381 HG21 THR 46 3HG2 THR 46 7.947 1.630 12.161 382 HG22 THR 46 1HG2 THR 46 6.240 1.995 11.913 383 HG23 THR 46 2HG2 THR 46 7.441 2.560 10.751 384 H GLU 47 H GLU 47 7.548 0.927 7.818 385 HA GLU 47 HA GLU 47 7.600 3.736 7.798 386 HB2 GLU 47 2HB GLU 47 9.083 1.652 6.690 387 HB3 GLU 47 1HB GLU 47 8.544 2.621 5.320 388 HG2 GLU 47 2HG GLU 47 10.045 3.630 7.727 389 HG3 GLU 47 1HG GLU 47 10.706 3.370 6.114 390 H LEU 48 H LEU 48 6.375 1.641 5.164 391 HA LEU 48 HA LEU 48 5.427 3.741 3.596 392 HB2 LEU 48 2HB LEU 48 4.541 0.868 3.747 393 HB3 LEU 48 1HB LEU 48 3.924 1.998 2.557 394 HG LEU 48 HG LEU 48 6.814 1.180 2.848 395 HD11 LEU 48 1HD1 LEU 48 4.772 0.451 0.756 396 HD12 LEU 48 2HD1 LEU 48 5.395 -0.624 2.007 397 HD13 LEU 48 3HD1 LEU 48 6.474 -0.010 0.754 398 HD21 LEU 48 3HD2 LEU 48 6.551 3.467 2.018 399 HD22 LEU 48 1HD2 LEU 48 5.455 2.886 0.766 400 HD23 LEU 48 2HD2 LEU 48 7.147 2.388 0.758 401 H ALA 49 H ALA 49 3.710 1.778 5.989 402 HA ALA 49 HA ALA 49 1.145 2.731 5.599 403 HB1 ALA 49 1HB ALA 49 0.683 2.080 7.897 404 HB2 ALA 49 2HB ALA 49 2.413 2.009 8.234 405 HB3 ALA 49 3HB ALA 49 1.691 0.879 7.090 406 H ASP 50 H ASP 50 3.502 4.031 7.948 407 HA ASP 50 HA ASP 50 1.859 6.217 8.686 408 HB2 ASP 50 2HB ASP 50 4.804 5.695 9.067 409 HB3 ASP 50 1HB ASP 50 3.976 7.100 9.734 410 H HIS 51 H HIS 51 4.321 5.834 6.217 411 HA HIS 51 HA HIS 51 4.753 8.603 5.766 412 HB2 HIS 51 2HB HIS 51 6.390 6.889 5.147 413 HB3 HIS 51 1HB HIS 51 5.278 6.265 3.933 414 HD1 HIS 51 1HD HIS 51 4.683 8.069 1.951 415 HD2 HIS 51 2HD HIS 51 8.046 8.823 4.270 416 HE1 HIS 51 1HE HIS 51 6.075 9.738 0.660 417 H LEU 52 H LEU 52 3.004 6.230 3.708 418 HA LEU 52 HA LEU 52 2.124 8.201 1.898 419 HB2 LEU 52 2HB LEU 52 0.606 6.474 1.021 420 HB3 LEU 52 1HB LEU 52 2.267 5.940 1.174 421 HG LEU 52 HG LEU 52 1.298 5.051 3.521 422 HD11 LEU 52 1HD1 LEU 52 -0.961 5.853 3.056 423 HD12 LEU 52 2HD1 LEU 52 -0.907 4.094 3.174 424 HD13 LEU 52 3HD1 LEU 52 -1.008 4.869 1.593 425 HD21 LEU 52 3HD2 LEU 52 2.531 3.721 1.922 426 HD22 LEU 52 1HD2 LEU 52 1.135 3.669 0.846 427 HD23 LEU 52 2HD2 LEU 52 1.072 2.862 2.412 428 H ILE 53 H ILE 53 0.634 6.987 4.856 429 HA ILE 53 HA ILE 53 -1.961 7.946 4.381 430 HB ILE 53 HB ILE 53 -0.462 7.529 6.962 431 HG12 ILE 53 2HG1 ILE 53 -0.990 5.430 6.080 432 HG13 ILE 53 1HG1 ILE 53 -2.330 5.748 7.172 433 HG21 ILE 53 1HG2 ILE 53 -2.687 7.762 8.087 434 HG22 ILE 53 2HG2 ILE 53 -3.297 8.463 6.589 435 HG23 ILE 53 3HG2 ILE 53 -1.999 9.265 7.474 436 HD11 ILE 53 3HD1 ILE 53 -3.332 4.877 5.275 437 HD12 ILE 53 1HD1 ILE 53 -2.293 5.795 4.187 438 HD13 ILE 53 2HD1 ILE 53 -3.550 6.617 5.101 439 H GLN 54 H GLN 54 0.936 9.577 5.488 440 HA GLN 54 HA GLN 54 -0.359 11.980 6.297 441 HB2 GLN 54 2HB GLN 54 2.513 11.448 5.524 442 HB3 GLN 54 1HB GLN 54 1.933 12.947 6.236 443 HG2 GLN 54 2HG GLN 54 1.803 10.232 7.528 444 HG3 GLN 54 1HG GLN 54 2.992 11.484 7.883 445 HE21 GLN 54 1HE2 GLN 54 1.063 10.205 9.644 446 HE22 GLN 54 2HE2 GLN 54 0.084 11.473 10.292 447 H SER 55 H SER 55 0.748 10.723 3.262 448 HA SER 55 HA SER 55 1.092 13.073 1.804 449 HB2 SER 55 2HB SER 55 1.766 10.885 0.950 450 HB3 SER 55 1HB SER 55 0.077 10.391 0.840 451 HG SER 55 HG SER 55 1.558 12.027 -0.819 452 H ALA 56 H ALA 56 -1.854 11.026 1.913 453 HA ALA 56 HA ALA 56 -3.383 13.445 1.198 454 HB1 ALA 56 1HB ALA 56 -4.919 12.065 -0.078 455 HB2 ALA 56 2HB ALA 56 -3.989 10.624 0.331 456 HB3 ALA 56 3HB ALA 56 -3.271 11.879 -0.678 457 H GLY 57 H GLY 57 -3.348 10.442 3.046 458 HA2 GLY 57 2HA GLY 57 -4.548 11.209 5.309 459 HA3 GLY 57 1HA GLY 57 -5.935 11.032 4.244 460 H ALA 58 H ALA 58 -5.971 9.502 6.417 461 HA ALA 58 HA ALA 58 -4.657 7.037 6.294 462 HB1 ALA 58 1HB ALA 58 -5.816 7.908 8.289 463 HB2 ALA 58 2HB ALA 58 -6.274 6.251 7.892 464 HB3 ALA 58 3HB ALA 58 -7.361 7.585 7.500 465 H ALA 59 H ALA 59 -8.130 7.508 5.659 466 HA ALA 59 HA ALA 59 -8.376 5.065 4.243 467 HB1 ALA 59 1HB ALA 59 -10.644 5.795 3.751 468 HB2 ALA 59 2HB ALA 59 -10.249 7.424 4.298 469 HB3 ALA 59 3HB ALA 59 -10.241 6.083 5.443 470 H SER 60 H SER 60 -7.784 8.366 3.231 471 HA SER 60 HA SER 60 -8.425 8.047 0.498 472 HB2 SER 60 2HB SER 60 -8.279 10.248 1.538 473 HB3 SER 60 1HB SER 60 -6.554 10.018 1.826 474 HG SER 60 HG SER 60 -6.143 10.349 -0.243 475 H ALA 61 H ALA 61 -5.293 7.861 2.192 476 HA ALA 61 HA ALA 61 -3.808 7.383 -0.188 477 HB1 ALA 61 1HB ALA 61 -2.813 8.370 1.821 478 HB2 ALA 61 2HB ALA 61 -1.933 6.944 1.273 479 HB3 ALA 61 3HB ALA 61 -3.012 6.834 2.662 480 H VAL 62 H VAL 62 -5.250 5.250 2.235 481 HA VAL 62 HA VAL 62 -3.950 2.889 1.350 482 HB VAL 62 HB VAL 62 -6.530 3.200 2.890 483 HG11 VAL 62 1HG1 VAL 62 -6.120 0.848 3.577 484 HG12 VAL 62 2HG1 VAL 62 -4.830 0.762 2.378 485 HG13 VAL 62 3HG1 VAL 62 -6.496 1.024 1.863 486 HG21 VAL 62 3HG2 VAL 62 -3.741 2.563 3.846 487 HG22 VAL 62 1HG2 VAL 62 -5.182 2.736 4.847 488 HG23 VAL 62 2HG2 VAL 62 -4.530 4.132 3.989 489 H THR 63 H THR 63 -6.919 4.497 0.360 490 HA THR 63 HA THR 63 -7.819 2.254 -1.208 491 HB THR 63 HB THR 63 -9.448 3.801 -0.213 492 HG1 THR 63 1HG THR 63 -9.447 2.856 -2.671 493 HG21 THR 63 3HG2 THR 63 -8.386 5.809 -2.205 494 HG22 THR 63 1HG2 THR 63 -8.160 5.883 -0.458 495 HG23 THR 63 2HG2 THR 63 -9.777 6.032 -1.145 496 H LYS 64 H LYS 64 -6.226 5.349 -1.865 497 HA LYS 64 HA LYS 64 -6.332 5.072 -4.700 498 HB2 LYS 64 2HB LYS 64 -4.956 7.016 -4.799 499 HB3 LYS 64 1HB LYS 64 -6.069 7.245 -3.458 500 HG2 LYS 64 2HG LYS 64 -4.178 7.913 -2.424 501 HG3 LYS 64 1HG LYS 64 -4.022 6.183 -2.117 502 HD2 LYS 64 2HD LYS 64 -2.632 6.000 -4.170 503 HD3 LYS 64 1HD LYS 64 -2.716 7.754 -4.340 504 HE2 LYS 64 2HE LYS 64 -1.632 6.345 -1.908 505 HE3 LYS 64 1HE LYS 64 -0.631 6.899 -3.249 506 HZ1 LYS 64 3HZ LYS 64 -0.664 8.498 -1.438 507 HZ2 LYS 64 1HZ LYS 64 -2.348 8.630 -1.552 508 HZ3 LYS 64 2HZ LYS 64 -1.369 9.155 -2.827 509 H ALA 65 H ALA 65 -4.081 4.092 -2.219 510 HA ALA 65 HA ALA 65 -1.785 3.623 -3.697 511 HB1 ALA 65 1HB ALA 65 -2.835 1.976 -1.399 512 HB2 ALA 65 2HB ALA 65 -1.896 3.462 -1.255 513 HB3 ALA 65 3HB ALA 65 -1.168 2.024 -1.970 514 H ILE 66 H ILE 66 -4.735 1.763 -3.512 515 HA ILE 66 HA ILE 66 -3.761 -0.636 -4.642 516 HB ILE 66 HB ILE 66 -6.561 0.491 -4.693 517 HG12 ILE 66 2HG1 ILE 66 -5.635 0.191 -2.420 518 HG13 ILE 66 1HG1 ILE 66 -6.965 -0.916 -2.746 519 HG21 ILE 66 1HG2 ILE 66 -6.269 -1.224 -6.385 520 HG22 ILE 66 2HG2 ILE 66 -7.274 -1.823 -5.067 521 HG23 ILE 66 3HG2 ILE 66 -5.585 -2.319 -5.184 522 HD11 ILE 66 3HD1 ILE 66 -5.168 -2.015 -1.540 523 HD12 ILE 66 1HD1 ILE 66 -4.037 -1.607 -2.830 524 HD13 ILE 66 2HD1 ILE 66 -5.371 -2.717 -3.145 525 H ASN 67 H ASN 67 -5.271 2.233 -6.078 526 HA ASN 67 HA ASN 67 -5.531 1.277 -8.689 527 HB2 ASN 67 2HB ASN 67 -6.540 3.385 -7.774 528 HB3 ASN 67 1HB ASN 67 -4.952 4.137 -7.909 529 HD21 ASN 67 1HD2 ASN 67 -4.097 4.559 -9.947 530 HD22 ASN 67 2HD2 ASN 67 -5.083 4.582 -11.366 531 H ILE 68 H ILE 68 -2.801 2.858 -7.098 532 HA ILE 68 HA ILE 68 -1.221 3.020 -9.483 533 HB ILE 68 HB ILE 68 -0.337 3.229 -6.600 534 HG12 ILE 68 2HG1 ILE 68 -0.930 5.488 -8.514 535 HG13 ILE 68 1HG1 ILE 68 -2.122 4.867 -7.376 536 HG21 ILE 68 1HG2 ILE 68 1.591 4.436 -7.517 537 HG22 ILE 68 2HG2 ILE 68 1.006 4.117 -9.150 538 HG23 ILE 68 3HG2 ILE 68 1.508 2.779 -8.116 539 HD11 ILE 68 3HD1 ILE 68 -1.055 6.849 -6.502 540 HD12 ILE 68 1HD1 ILE 68 0.531 6.101 -6.680 541 HD13 ILE 68 2HD1 ILE 68 -0.627 5.446 -5.524 542 H PHE 69 H PHE 69 -1.058 1.006 -6.561 543 HA PHE 69 HA PHE 69 1.140 -0.539 -7.303 544 HB2 PHE 69 2HB PHE 69 0.200 -0.416 -5.019 545 HB3 PHE 69 1HB PHE 69 -1.180 -1.368 -5.553 546 HD1 PHE 69 1HD PHE 69 2.536 -1.491 -5.392 547 HD2 PHE 69 2HD PHE 69 -1.124 -3.660 -5.332 548 HE1 PHE 69 1HE PHE 69 3.772 -3.555 -4.876 549 HE2 PHE 69 2HE PHE 69 0.104 -5.728 -4.817 550 HZ PHE 69 HZ PHE 69 2.556 -5.677 -4.588 551 H GLN 70 H GLN 70 -2.211 -0.819 -8.265 552 HA GLN 70 HA GLN 70 -1.901 -3.520 -9.218 553 HB2 GLN 70 2HB GLN 70 -4.179 -3.375 -9.957 554 HB3 GLN 70 1HB GLN 70 -4.069 -2.649 -8.363 555 HG2 GLN 70 2HG GLN 70 -4.111 -0.428 -9.357 556 HG3 GLN 70 1HG GLN 70 -4.181 -1.142 -10.966 557 HE21 GLN 70 1HE2 GLN 70 -5.941 -3.304 -10.079 558 HE22 GLN 70 2HE2 GLN 70 -7.505 -2.595 -9.892 559 H LYS 71 H LYS 71 -2.423 -0.379 -10.805 560 HA LYS 71 HA LYS 71 -2.126 -1.381 -13.429 561 HB2 LYS 71 2HB LYS 71 -1.911 1.420 -12.329 562 HB3 LYS 71 1HB LYS 71 -1.915 1.035 -14.044 563 HG2 LYS 71 2HG LYS 71 -4.146 0.088 -13.845 564 HG3 LYS 71 1HG LYS 71 -4.142 0.421 -12.111 565 HD2 LYS 71 2HD LYS 71 -5.381 2.157 -13.199 566 HD3 LYS 71 1HD LYS 71 -3.849 2.840 -12.651 567 HE2 LYS 71 2HE LYS 71 -4.330 3.630 -14.879 568 HE3 LYS 71 1HE LYS 71 -2.940 2.546 -14.926 569 HZ1 LYS 71 3HZ LYS 71 -4.468 2.094 -16.735 570 HZ2 LYS 71 1HZ LYS 71 -5.728 1.815 -15.641 571 HZ3 LYS 71 2HZ LYS 71 -4.397 0.772 -15.682 572 H LEU 72 H LEU 72 0.237 -0.979 -11.067 573 HA LEU 72 HA LEU 72 2.292 -0.232 -13.031 574 HB2 LEU 72 2HB LEU 72 1.906 0.117 -10.182 575 HB3 LEU 72 1HB LEU 72 3.502 -0.483 -10.566 576 HG LEU 72 HG LEU 72 3.491 1.934 -10.392 577 HD11 LEU 72 1HD1 LEU 72 5.050 0.886 -11.953 578 HD12 LEU 72 2HD1 LEU 72 4.540 2.474 -12.527 579 HD13 LEU 72 3HD1 LEU 72 3.852 1.015 -13.241 580 HD21 LEU 72 3HD2 LEU 72 1.179 2.366 -11.000 581 HD22 LEU 72 1HD2 LEU 72 1.504 1.863 -12.658 582 HD23 LEU 72 2HD2 LEU 72 2.271 3.313 -12.011 583 H ASN 73 H ASN 73 1.625 -2.806 -10.636 584 HA ASN 73 HA ASN 73 3.766 -4.330 -11.969 585 HB2 ASN 73 2HB ASN 73 4.085 -5.448 -9.689 586 HB3 ASN 73 1HB ASN 73 4.692 -3.808 -9.898 587 HD21 ASN 73 1HD2 ASN 73 2.245 -5.794 -8.428 588 HD22 ASN 73 2HD2 ASN 73 1.681 -4.613 -7.300 589 H TYR 74 H TYR 74 0.840 -4.796 -9.976 590 HA TYR 74 HA TYR 74 0.349 -7.247 -11.512 591 HB2 TYR 74 2HB TYR 74 0.579 -7.083 -8.525 592 HB3 TYR 74 1HB TYR 74 -0.326 -8.372 -9.313 593 HD1 TYR 74 2HD TYR 74 0.886 -9.868 -10.955 594 HD2 TYR 74 1HD TYR 74 2.932 -7.185 -8.361 595 HE1 TYR 74 2HE TYR 74 2.966 -11.134 -11.293 596 HE2 TYR 74 1HE TYR 74 5.019 -8.444 -8.694 597 HH TYR 74 HH TYR 74 5.375 -10.798 -11.132 598 H MET 75 H MET 75 -1.196 -5.416 -12.327 599 HA MET 75 HA MET 75 -3.410 -4.574 -10.911 600 HB2 MET 75 2HB MET 75 -4.563 -4.396 -13.081 601 HB3 MET 75 1HB MET 75 -2.919 -3.777 -13.160 602 HG2 MET 75 2HG MET 75 -2.202 -5.920 -14.157 603 HG3 MET 75 1HG MET 75 -3.885 -6.444 -14.163 604 HE1 MET 75 3HE MET 75 -5.365 -3.702 -14.856 605 HE2 MET 75 1HE MET 75 -5.801 -5.235 -15.612 606 HE3 MET 75 2HE MET 75 -5.497 -3.813 -16.611 607 H HIS 76 H HIS 76 -2.597 -7.752 -11.841 608 HA HIS 76 HA HIS 76 -5.277 -8.810 -11.816 609 HB2 HIS 76 2HB HIS 76 -3.695 -9.934 -13.214 610 HB3 HIS 76 1HB HIS 76 -2.551 -10.107 -11.888 611 HD1 HIS 76 1HD HIS 76 -2.686 -12.254 -10.573 612 HD2 HIS 76 2HD HIS 76 -6.063 -11.579 -12.897 613 HE1 HIS 76 1HE HIS 76 -4.093 -14.348 -10.405 614 H ILE 77 H ILE 77 -2.441 -9.062 -9.669 615 HA ILE 77 HA ILE 77 -3.720 -10.575 -7.663 616 HB ILE 77 HB ILE 77 -1.300 -8.778 -7.516 617 HG12 ILE 77 2HG1 ILE 77 -1.573 -11.791 -7.644 618 HG13 ILE 77 1HG1 ILE 77 -1.096 -10.753 -8.983 619 HG21 ILE 77 1HG2 ILE 77 -2.386 -10.692 -5.454 620 HG22 ILE 77 2HG2 ILE 77 -2.230 -8.942 -5.299 621 HG23 ILE 77 3HG2 ILE 77 -0.787 -9.950 -5.393 622 HD11 ILE 77 3HD1 ILE 77 0.919 -10.116 -7.801 623 HD12 ILE 77 1HD1 ILE 77 0.814 -11.870 -7.947 624 HD13 ILE 77 2HD1 ILE 77 0.433 -11.088 -6.412 625 H ALA 78 H ALA 78 -3.056 -7.079 -7.855 626 HA ALA 78 HA ALA 78 -4.098 -6.324 -5.403 627 HB1 ALA 78 1HB ALA 78 -2.813 -4.828 -6.841 628 HB2 ALA 78 2HB ALA 78 -4.335 -4.092 -6.342 629 HB3 ALA 78 3HB ALA 78 -4.165 -4.749 -7.970 630 H ASN 79 H ASN 79 -5.775 -7.126 -8.365 631 HA ASN 79 HA ASN 79 -8.248 -5.962 -7.942 632 HB2 ASN 79 2HB ASN 79 -7.679 -7.132 -10.009 633 HB3 ASN 79 1HB ASN 79 -7.645 -8.670 -9.152 634 HD21 ASN 79 1HD2 ASN 79 -9.991 -6.131 -8.591 635 HD22 ASN 79 2HD2 ASN 79 -11.354 -6.994 -9.205 636 H ALA 80 H ALA 80 -6.895 -8.880 -6.525 637 HA ALA 80 HA ALA 80 -9.311 -9.746 -5.280 638 HB1 ALA 80 1HB ALA 80 -7.484 -11.289 -5.791 639 HB2 ALA 80 2HB ALA 80 -7.895 -11.319 -4.076 640 HB3 ALA 80 3HB ALA 80 -6.455 -10.459 -4.623 641 H LEU 81 H LEU 81 -6.653 -7.668 -4.318 642 HA LEU 81 HA LEU 81 -7.304 -7.593 -1.544 643 HB2 LEU 81 2HB LEU 81 -5.594 -5.840 -3.294 644 HB3 LEU 81 1HB LEU 81 -5.814 -5.527 -1.584 645 HG LEU 81 HG LEU 81 -3.719 -6.671 -1.944 646 HD11 LEU 81 1HD1 LEU 81 -3.993 -8.561 -0.447 647 HD12 LEU 81 2HD1 LEU 81 -5.735 -8.544 -0.716 648 HD13 LEU 81 3HD1 LEU 81 -4.957 -7.189 0.101 649 HD21 LEU 81 3HD2 LEU 81 -4.243 -7.773 -4.051 650 HD22 LEU 81 1HD2 LEU 81 -5.346 -8.866 -3.216 651 HD23 LEU 81 2HD2 LEU 81 -3.618 -8.927 -2.873 652 H GLU 82 H GLU 82 -7.934 -5.357 -4.240 653 HA GLU 82 HA GLU 82 -9.110 -3.296 -2.807 654 HB2 GLU 82 2HB GLU 82 -10.201 -2.644 -4.893 655 HB3 GLU 82 1HB GLU 82 -8.531 -3.111 -5.171 656 HG2 GLU 82 2HG GLU 82 -9.250 -5.272 -6.004 657 HG3 GLU 82 1HG GLU 82 -10.931 -4.848 -5.686 658 H GLU 83 H GLU 83 -10.403 -6.417 -3.608 659 HA GLU 83 HA GLU 83 -13.150 -5.866 -3.377 660 HB2 GLU 83 2HB GLU 83 -11.691 -8.421 -2.676 661 HB3 GLU 83 1HB GLU 83 -13.416 -8.269 -2.977 662 HG2 GLU 83 2HG GLU 83 -11.207 -7.805 -4.964 663 HG3 GLU 83 1HG GLU 83 -12.294 -9.190 -4.906 664 H LYS 84 H LYS 84 -10.684 -6.543 -0.986 665 HA LYS 84 HA LYS 84 -12.256 -7.063 1.247 666 HB2 LYS 84 2HB LYS 84 -9.790 -7.335 1.111 667 HB3 LYS 84 1HB LYS 84 -9.619 -5.589 1.192 668 HG2 LYS 84 2HG LYS 84 -10.716 -5.617 3.402 669 HG3 LYS 84 1HG LYS 84 -10.772 -7.379 3.319 670 HD2 LYS 84 2HD LYS 84 -8.199 -5.844 3.059 671 HD3 LYS 84 1HD LYS 84 -8.846 -6.328 4.626 672 HE2 LYS 84 2HE LYS 84 -7.309 -8.011 4.006 673 HE3 LYS 84 1HE LYS 84 -8.912 -8.689 3.725 674 HZ1 LYS 84 3HZ LYS 84 -8.690 -8.327 1.401 675 HZ2 LYS 84 1HZ LYS 84 -7.280 -9.104 1.919 676 HZ3 LYS 84 2HZ LYS 84 -7.261 -7.444 1.598 677 H LYS 85 H LYS 85 -11.589 -4.051 -0.353 678 HA LYS 85 HA LYS 85 -11.993 -2.179 1.621 679 HB2 LYS 85 2HB LYS 85 -11.331 -1.580 -0.639 680 HB3 LYS 85 1HB LYS 85 -12.902 -2.069 -1.257 681 HG2 LYS 85 2HG LYS 85 -12.793 0.332 -1.104 682 HG3 LYS 85 1HG LYS 85 -13.956 -0.283 0.073 683 HD2 LYS 85 2HD LYS 85 -12.267 -0.084 1.837 684 HD3 LYS 85 1HD LYS 85 -11.111 0.537 0.658 685 HE2 LYS 85 2HE LYS 85 -13.733 1.827 1.404 686 HE3 LYS 85 1HE LYS 85 -12.141 2.339 1.962 687 HZ1 LYS 85 3HZ LYS 85 -13.071 2.327 -0.859 688 HZ2 LYS 85 1HZ LYS 85 -11.533 2.799 -0.336 689 HZ3 LYS 85 2HZ LYS 85 -12.893 3.695 0.121 690 H LYS 86 H LYS 86 -14.445 -4.090 -0.059 691 HA LYS 86 HA LYS 86 -16.705 -2.624 0.668 692 HB2 LYS 86 2HB LYS 86 -17.978 -4.639 0.263 693 HB3 LYS 86 1HB LYS 86 -16.710 -4.500 -0.946 694 HG2 LYS 86 2HG LYS 86 -15.350 -6.064 0.512 695 HG3 LYS 86 1HG LYS 86 -16.841 -6.356 1.406 696 HD2 LYS 86 2HD LYS 86 -16.663 -6.687 -1.578 697 HD3 LYS 86 1HD LYS 86 -16.271 -7.995 -0.460 698 HE2 LYS 86 2HE LYS 86 -18.521 -8.329 -1.055 699 HE3 LYS 86 1HE LYS 86 -18.558 -7.621 0.558 700 HZ1 LYS 86 3HZ LYS 86 -20.187 -6.673 -1.050 701 HZ2 LYS 86 1HZ LYS 86 -18.887 -6.031 -1.923 702 HZ3 LYS 86 2HZ LYS 86 -19.170 -5.528 -0.333 703 H GLU 87 H GLU 87 -14.873 -5.043 2.462 704 HA GLU 87 HA GLU 87 -16.717 -5.116 4.662 705 HB2 GLU 87 2HB GLU 87 -15.274 -7.041 4.084 706 HB3 GLU 87 1HB GLU 87 -13.857 -6.089 4.508 707 HG2 GLU 87 2HG GLU 87 -14.648 -5.931 6.813 708 HG3 GLU 87 1HG GLU 87 -16.070 -6.882 6.389 709 H ALA 88 H ALA 88 -13.886 -3.287 3.800 710 HA ALA 88 HA ALA 88 -13.137 -2.325 6.320 711 HB1 ALA 88 1HB ALA 88 -12.896 -0.928 3.659 712 HB2 ALA 88 2HB ALA 88 -11.750 -2.098 4.313 713 HB3 ALA 88 3HB ALA 88 -11.988 -0.550 5.123 714 H GLU 89 H GLU 89 -15.734 -1.413 4.192 715 HA GLU 89 HA GLU 89 -16.322 1.152 5.009 716 HB2 GLU 89 2HB GLU 89 -18.273 -1.059 4.342 717 HB3 GLU 89 1HB GLU 89 -18.664 0.656 4.393 718 HG2 GLU 89 2HG GLU 89 -17.022 1.049 2.595 719 HG3 GLU 89 1HG GLU 89 -16.739 -0.690 2.510 720 H ARG 90 H ARG 90 -17.584 -1.867 6.442 721 HA ARG 90 HA ARG 90 -18.917 -0.518 8.565 722 HB2 ARG 90 2HB ARG 90 -19.238 -2.755 9.523 723 HB3 ARG 90 1HB ARG 90 -19.651 -2.720 7.814 724 HG2 ARG 90 2HG ARG 90 -17.629 -3.835 7.226 725 HG3 ARG 90 1HG ARG 90 -17.004 -3.685 8.870 726 HD2 ARG 90 2HD ARG 90 -19.450 -5.260 8.069 727 HD3 ARG 90 1HD ARG 90 -17.855 -5.945 8.379 728 HE ARG 90 HE ARG 90 -18.646 -4.452 10.616 729 HH11 ARG 90 1HH1 ARG 90 -19.498 -7.378 8.927 730 HH12 ARG 90 2HH1 ARG 90 -20.089 -8.176 10.346 731 HH21 ARG 90 1HH2 ARG 90 -19.424 -5.495 12.486 732 HH22 ARG 90 2HH2 ARG 90 -20.048 -7.106 12.368 733 H LYS 91 H LYS 91 -15.663 -1.368 8.033 734 HA LYS 91 HA LYS 91 -14.935 -1.567 10.821 735 HB2 LYS 91 2HB LYS 91 -13.248 -1.366 8.322 736 HB3 LYS 91 1HB LYS 91 -12.603 -1.601 9.940 737 HG2 LYS 91 2HG LYS 91 -13.743 -3.729 10.119 738 HG3 LYS 91 1HG LYS 91 -14.485 -3.487 8.537 739 HD2 LYS 91 2HD LYS 91 -12.598 -4.964 8.295 740 HD3 LYS 91 1HD LYS 91 -12.213 -3.416 7.540 741 HE2 LYS 91 2HE LYS 91 -10.319 -4.247 8.828 742 HE3 LYS 91 1HE LYS 91 -10.950 -2.756 9.527 743 HZ1 LYS 91 3HZ LYS 91 -10.457 -4.403 11.225 744 HZ2 LYS 91 1HZ LYS 91 -11.529 -5.499 10.510 745 HZ3 LYS 91 2HZ LYS 91 -12.115 -4.064 11.186 746 H LEU 92 H LEU 92 -15.191 0.907 8.418 747 HA LEU 92 HA LEU 92 -13.641 2.801 10.014 748 HB2 LEU 92 2HB LEU 92 -14.971 3.108 7.321 749 HB3 LEU 92 1HB LEU 92 -14.001 4.337 8.110 750 HG LEU 92 HG LEU 92 -12.970 1.632 7.250 751 HD11 LEU 92 1HD1 LEU 92 -13.575 2.985 5.322 752 HD12 LEU 92 2HD1 LEU 92 -11.821 2.859 5.470 753 HD13 LEU 92 3HD1 LEU 92 -12.645 4.339 5.964 754 HD21 LEU 92 3HD2 LEU 92 -10.769 2.614 7.677 755 HD22 LEU 92 1HD2 LEU 92 -11.754 2.568 9.140 756 HD23 LEU 92 2HD2 LEU 92 -11.542 4.086 8.268 757 H MET 93 H MET 93 -16.672 1.655 10.121 758 HA MET 93 HA MET 93 -18.136 4.130 10.341 759 HB2 MET 93 2HB MET 93 -19.132 1.954 9.555 760 HB3 MET 93 1HB MET 93 -19.010 1.374 11.210 761 HG2 MET 93 2HG MET 93 -20.430 3.321 11.896 762 HG3 MET 93 1HG MET 93 -20.681 3.649 10.182 763 HE1 MET 93 3HE MET 93 -21.389 1.270 13.184 764 HE2 MET 93 1HE MET 93 -20.427 0.226 12.138 765 HE3 MET 93 2HE MET 93 -22.136 -0.123 12.400 766 H THR 94 H THR 94 -16.296 2.106 12.427 767 HA THR 94 HA THR 94 -16.945 3.856 14.681 768 HB THR 94 HB THR 94 -18.388 1.940 15.041 769 HG1 THR 94 1HG THR 94 -17.309 1.165 17.054 770 HG21 THR 94 3HG2 THR 94 -17.187 0.300 13.679 771 HG22 THR 94 1HG2 THR 94 -17.476 -0.322 15.304 772 HG23 THR 94 2HG2 THR 94 -15.876 0.272 14.859 773 H ASN 95 H ASN 95 -15.376 3.689 16.450 774 HA ASN 95 HA ASN 95 -12.750 2.709 15.546 775 HB2 ASN 95 2HB ASN 95 -13.401 5.303 16.956 776 HB3 ASN 95 1HB ASN 95 -11.767 4.665 16.799 777 HD21 ASN 95 1HD2 ASN 95 -12.233 3.576 14.153 778 HD22 ASN 95 2HD2 ASN 95 -12.264 4.921 13.072 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -9.736 -2.010 13.011 2 H2 MET 1 2HT MET 1 -9.431 -2.094 14.672 3 H3 MET 1 3HT MET 1 -8.268 -2.639 13.571 4 HA MET 1 HA MET 1 -9.178 0.155 13.926 5 HB2 MET 1 2HB MET 1 -6.527 -1.172 14.530 6 HB3 MET 1 1HB MET 1 -6.855 0.549 14.673 7 HG2 MET 1 2HG MET 1 -7.001 -0.282 16.848 8 HG3 MET 1 1HG MET 1 -8.672 -0.085 16.325 9 HE1 MET 1 2HE MET 1 -8.878 -3.239 18.628 10 HE2 MET 1 3HE MET 1 -9.539 -1.640 18.286 11 HE3 MET 1 1HE MET 1 -7.879 -1.803 18.856 12 H GLU 2 H GLU 2 -7.976 1.707 12.667 13 HA GLU 2 HA GLU 2 -7.799 1.010 9.948 14 HB2 GLU 2 2HB GLU 2 -6.865 3.275 9.635 15 HB3 GLU 2 1HB GLU 2 -8.309 3.279 10.637 16 HG2 GLU 2 2HG GLU 2 -6.904 3.422 12.641 17 HG3 GLU 2 1HG GLU 2 -5.470 3.466 11.615 18 H SER 3 H SER 3 -5.441 1.079 12.507 19 HA SER 3 HA SER 3 -3.087 1.143 10.993 20 HB2 SER 3 2HB SER 3 -2.013 0.124 12.977 21 HB3 SER 3 1HB SER 3 -3.077 1.460 13.414 22 HG SER 3 HG SER 3 -4.703 -0.233 13.791 23 H GLU 4 H GLU 4 -5.163 -1.544 11.948 24 HA GLU 4 HA GLU 4 -3.429 -3.564 10.899 25 HB2 GLU 4 2HB GLU 4 -4.961 -4.105 12.695 26 HB3 GLU 4 1HB GLU 4 -6.339 -3.641 11.708 27 HG2 GLU 4 2HG GLU 4 -5.855 -5.486 10.175 28 HG3 GLU 4 1HG GLU 4 -4.487 -5.956 11.182 29 H TYR 5 H TYR 5 -6.073 -1.653 9.656 30 HA TYR 5 HA TYR 5 -6.592 -3.237 7.351 31 HB2 TYR 5 2HB TYR 5 -8.246 -1.663 8.234 32 HB3 TYR 5 1HB TYR 5 -7.170 -0.316 7.884 33 HD1 TYR 5 1HD TYR 5 -8.584 -3.246 6.027 34 HD2 TYR 5 2HD TYR 5 -7.725 0.921 6.028 35 HE1 TYR 5 1HE TYR 5 -9.573 -3.048 3.785 36 HE2 TYR 5 2HE TYR 5 -8.713 1.129 3.786 37 HH TYR 5 HH TYR 5 -9.173 -0.317 1.834 38 H ARG 6 H ARG 6 -4.470 -0.504 8.011 39 HA ARG 6 HA ARG 6 -3.673 -0.249 5.250 40 HB2 ARG 6 2HB ARG 6 -2.141 1.478 6.076 41 HB3 ARG 6 1HB ARG 6 -3.777 1.732 6.666 42 HG2 ARG 6 2HG ARG 6 -3.110 0.677 8.810 43 HG3 ARG 6 1HG ARG 6 -1.455 0.594 8.204 44 HD2 ARG 6 2HD ARG 6 -1.396 3.014 7.980 45 HD3 ARG 6 1HD ARG 6 -3.071 3.122 8.518 46 HE ARG 6 HE ARG 6 -1.039 1.967 10.293 47 HH11 ARG 6 1HH1 ARG 6 -3.372 4.456 9.580 48 HH12 ARG 6 2HH1 ARG 6 -3.337 5.125 11.178 49 HH21 ARG 6 1HH2 ARG 6 -0.985 2.841 12.395 50 HH22 ARG 6 2HH2 ARG 6 -1.980 4.206 12.778 51 H GLU 7 H GLU 7 -2.505 -1.853 8.110 52 HA GLU 7 HA GLU 7 0.166 -2.250 7.224 53 HB2 GLU 7 2HB GLU 7 -0.508 -2.367 9.592 54 HB3 GLU 7 1HB GLU 7 -1.421 -3.830 9.250 55 HG2 GLU 7 2HG GLU 7 0.651 -4.961 8.596 56 HG3 GLU 7 1HG GLU 7 1.558 -3.497 8.974 57 H MET 8 H MET 8 -2.629 -4.478 7.337 58 HA MET 8 HA MET 8 -1.229 -6.583 6.042 59 HB2 MET 8 2HB MET 8 -3.340 -7.741 5.971 60 HB3 MET 8 1HB MET 8 -3.170 -6.948 7.531 61 HG2 MET 8 2HG MET 8 -4.608 -5.111 6.695 62 HG3 MET 8 1HG MET 8 -4.850 -6.030 5.210 63 HE1 MET 8 3HE MET 8 -6.002 -8.410 5.132 64 HE2 MET 8 1HE MET 8 -6.715 -9.213 6.531 65 HE3 MET 8 2HE MET 8 -4.965 -9.038 6.412 66 H LEU 9 H LEU 9 -3.571 -4.185 4.872 67 HA LEU 9 HA LEU 9 -3.906 -5.174 2.295 68 HB2 LEU 9 2HB LEU 9 -5.273 -3.396 3.309 69 HB3 LEU 9 1HB LEU 9 -3.921 -2.288 3.172 70 HG LEU 9 HG LEU 9 -4.875 -3.603 0.678 71 HD11 LEU 9 1HD1 LEU 9 -6.601 -1.877 0.388 72 HD12 LEU 9 2HD1 LEU 9 -6.338 -1.354 2.052 73 HD13 LEU 9 3HD1 LEU 9 -6.964 -2.969 1.725 74 HD21 LEU 9 3HD2 LEU 9 -3.821 -0.876 1.409 75 HD22 LEU 9 1HD2 LEU 9 -4.354 -1.331 -0.209 76 HD23 LEU 9 2HD2 LEU 9 -2.978 -2.149 0.529 77 H LEU 10 H LEU 10 -1.294 -3.239 3.622 78 HA LEU 10 HA LEU 10 -0.169 -2.696 1.018 79 HB2 LEU 10 2HB LEU 10 0.830 -2.153 3.805 80 HB3 LEU 10 1HB LEU 10 1.708 -1.704 2.356 81 HG LEU 10 HG LEU 10 -1.061 -0.714 3.036 82 HD11 LEU 10 1HD1 LEU 10 -0.011 1.377 3.641 83 HD12 LEU 10 2HD1 LEU 10 1.584 0.708 3.300 84 HD13 LEU 10 3HD1 LEU 10 0.630 0.073 4.641 85 HD21 LEU 10 3HD2 LEU 10 0.918 0.177 0.939 86 HD22 LEU 10 1HD2 LEU 10 -0.657 0.902 1.257 87 HD23 LEU 10 2HD2 LEU 10 -0.554 -0.747 0.640 88 H LEU 11 H LEU 11 1.035 -4.446 3.895 89 HA LEU 11 HA LEU 11 3.332 -5.477 2.777 90 HB2 LEU 11 2HB LEU 11 3.379 -7.070 4.539 91 HB3 LEU 11 1HB LEU 11 2.713 -5.580 5.171 92 HG LEU 11 HG LEU 11 0.405 -6.733 4.695 93 HD11 LEU 11 1HD1 LEU 11 0.583 -9.194 5.157 94 HD12 LEU 11 2HD1 LEU 11 2.309 -9.062 4.819 95 HD13 LEU 11 3HD1 LEU 11 1.134 -8.692 3.560 96 HD21 LEU 11 3HD2 LEU 11 1.236 -6.070 6.891 97 HD22 LEU 11 1HD2 LEU 11 2.192 -7.549 6.982 98 HD23 LEU 11 2HD2 LEU 11 0.431 -7.637 6.962 99 H THR 12 H THR 12 0.063 -6.479 2.198 100 HA THR 12 HA THR 12 0.408 -9.104 1.363 101 HB THR 12 HB THR 12 -1.466 -7.030 0.203 102 HG1 THR 12 1HG THR 12 -2.937 -7.907 1.679 103 HG21 THR 12 3HG2 THR 12 -2.809 -8.963 -0.535 104 HG22 THR 12 1HG2 THR 12 -1.519 -10.043 -0.006 105 HG23 THR 12 2HG2 THR 12 -1.234 -8.907 -1.326 106 H GLY 13 H GLY 13 1.121 -6.100 -0.305 107 HA2 GLY 13 2HA GLY 13 1.880 -7.569 -2.724 108 HA3 GLY 13 1HA GLY 13 1.704 -5.827 -2.589 109 H LEU 14 H LEU 14 3.306 -5.329 -0.355 110 HA LEU 14 HA LEU 14 5.832 -5.089 -1.484 111 HB2 LEU 14 2HB LEU 14 4.892 -5.008 1.367 112 HB3 LEU 14 1HB LEU 14 6.586 -4.812 0.970 113 HG LEU 14 HG LEU 14 5.682 -2.640 1.265 114 HD11 LEU 14 1HD1 LEU 14 5.862 -3.170 -1.696 115 HD12 LEU 14 2HD1 LEU 14 7.223 -2.870 -0.614 116 HD13 LEU 14 3HD1 LEU 14 6.030 -1.604 -0.902 117 HD21 LEU 14 3HD2 LEU 14 3.515 -3.438 -0.671 118 HD22 LEU 14 1HD2 LEU 14 3.751 -1.819 -0.014 119 HD23 LEU 14 2HD2 LEU 14 3.329 -3.152 1.060 120 H ASP 15 H ASP 15 4.806 -7.391 1.030 121 HA ASP 15 HA ASP 15 7.275 -8.830 0.961 122 HB2 ASP 15 2HB ASP 15 4.606 -9.499 2.214 123 HB3 ASP 15 1HB ASP 15 6.084 -10.422 2.465 124 H HIS 16 H HIS 16 5.202 -8.654 -1.432 125 HA HIS 16 HA HIS 16 5.397 -11.521 -2.080 126 HB2 HIS 16 2HB HIS 16 3.061 -10.835 -1.709 127 HB3 HIS 16 1HB HIS 16 3.230 -9.600 -2.952 128 HD1 HIS 16 1HD HIS 16 3.385 -13.397 -2.646 129 HD2 HIS 16 2HD HIS 16 2.621 -10.419 -5.440 130 HE1 HIS 16 1HE HIS 16 2.611 -14.575 -4.746 131 H ILE 17 H ILE 17 5.949 -8.259 -3.102 132 HA ILE 17 HA ILE 17 6.553 -9.060 -5.837 133 HB ILE 17 HB ILE 17 7.013 -6.677 -6.238 134 HG12 ILE 17 2HG1 ILE 17 6.188 -6.286 -3.352 135 HG13 ILE 17 1HG1 ILE 17 7.840 -6.164 -3.943 136 HG21 ILE 17 1HG2 ILE 17 4.771 -7.508 -6.571 137 HG22 ILE 17 2HG2 ILE 17 4.699 -5.877 -5.905 138 HG23 ILE 17 3HG2 ILE 17 4.393 -7.268 -4.867 139 HD11 ILE 17 3HD1 ILE 17 7.211 -4.281 -5.343 140 HD12 ILE 17 1HD1 ILE 17 6.814 -3.976 -3.652 141 HD13 ILE 17 2HD1 ILE 17 5.543 -4.417 -4.791 142 H THR 18 H THR 18 8.617 -8.246 -6.810 143 HA THR 18 HA THR 18 10.827 -9.155 -5.179 144 HB THR 18 HB THR 18 11.007 -8.108 -8.004 145 HG1 THR 18 1HG THR 18 10.463 -10.128 -8.713 146 HG21 THR 18 3HG2 THR 18 13.132 -8.446 -6.843 147 HG22 THR 18 1HG2 THR 18 12.926 -9.634 -8.129 148 HG23 THR 18 2HG2 THR 18 12.663 -10.100 -6.449 149 H GLU 19 H GLU 19 12.822 -7.943 -4.976 150 HA GLU 19 HA GLU 19 12.426 -5.342 -4.000 151 HB2 GLU 19 2HB GLU 19 14.903 -5.240 -3.870 152 HB3 GLU 19 1HB GLU 19 14.233 -6.707 -3.170 153 HG2 GLU 19 2HG GLU 19 14.794 -7.923 -5.230 154 HG3 GLU 19 1HG GLU 19 15.515 -6.452 -5.881 155 H GLU 20 H GLU 20 13.401 -6.523 -7.147 156 HA GLU 20 HA GLU 20 14.445 -4.127 -8.188 157 HB2 GLU 20 2HB GLU 20 14.068 -5.145 -10.397 158 HB3 GLU 20 1HB GLU 20 14.829 -6.266 -9.277 159 HG2 GLU 20 2HG GLU 20 12.644 -7.317 -8.878 160 HG3 GLU 20 1HG GLU 20 11.922 -6.221 -10.055 161 H GLU 21 H GLU 21 11.158 -5.441 -8.171 162 HA GLU 21 HA GLU 21 10.080 -3.259 -9.693 163 HB2 GLU 21 2HB GLU 21 8.703 -5.404 -8.066 164 HB3 GLU 21 1HB GLU 21 7.886 -4.268 -9.132 165 HG2 GLU 21 2HG GLU 21 9.145 -5.174 -11.036 166 HG3 GLU 21 1HG GLU 21 9.908 -6.340 -9.957 167 H LEU 22 H LEU 22 10.599 -3.955 -6.336 168 HA LEU 22 HA LEU 22 8.760 -2.203 -5.166 169 HB2 LEU 22 2HB LEU 22 9.918 -3.819 -3.827 170 HB3 LEU 22 1HB LEU 22 11.476 -3.140 -4.255 171 HG LEU 22 HG LEU 22 10.949 -1.104 -2.990 172 HD11 LEU 22 1HD1 LEU 22 8.973 -1.034 -1.549 173 HD12 LEU 22 2HD1 LEU 22 8.407 -2.547 -2.255 174 HD13 LEU 22 3HD1 LEU 22 8.533 -1.100 -3.255 175 HD21 LEU 22 3HD2 LEU 22 10.566 -3.644 -1.411 176 HD22 LEU 22 1HD2 LEU 22 11.054 -2.081 -0.754 177 HD23 LEU 22 2HD2 LEU 22 12.111 -2.935 -1.879 178 H LYS 23 H LYS 23 11.853 -1.627 -6.673 179 HA LYS 23 HA LYS 23 12.272 0.981 -5.627 180 HB2 LYS 23 2HB LYS 23 13.395 -0.345 -8.097 181 HB3 LYS 23 1HB LYS 23 13.968 1.176 -7.425 182 HG2 LYS 23 2HG LYS 23 14.522 -0.026 -5.325 183 HG3 LYS 23 1HG LYS 23 14.079 -1.535 -6.121 184 HD2 LYS 23 2HD LYS 23 16.199 0.356 -7.134 185 HD3 LYS 23 1HD LYS 23 16.530 -1.047 -6.118 186 HE2 LYS 23 2HE LYS 23 15.534 -2.502 -7.830 187 HE3 LYS 23 1HE LYS 23 15.247 -1.091 -8.847 188 HZ1 LYS 23 3HZ LYS 23 17.913 -2.040 -7.944 189 HZ2 LYS 23 1HZ LYS 23 17.623 -0.712 -8.953 190 HZ3 LYS 23 2HZ LYS 23 17.260 -2.276 -9.486 191 H ARG 24 H ARG 24 10.996 -0.175 -8.750 192 HA ARG 24 HA ARG 24 10.574 2.404 -9.823 193 HB2 ARG 24 2HB ARG 24 9.167 1.285 -11.494 194 HB3 ARG 24 1HB ARG 24 10.692 0.445 -11.257 195 HG2 ARG 24 2HG ARG 24 9.581 -1.220 -9.879 196 HG3 ARG 24 1HG ARG 24 8.049 -0.364 -10.062 197 HD2 ARG 24 2HD ARG 24 9.669 -1.588 -12.292 198 HD3 ARG 24 1HD ARG 24 8.209 -2.277 -11.585 199 HE ARG 24 HE ARG 24 7.277 0.062 -12.373 200 HH11 ARG 24 1HH1 ARG 24 9.401 -2.142 -14.041 201 HH12 ARG 24 2HH1 ARG 24 8.875 -1.657 -15.617 202 HH21 ARG 24 1HH2 ARG 24 6.589 0.714 -14.446 203 HH22 ARG 24 2HH2 ARG 24 7.282 -0.032 -15.848 204 H PHE 25 H PHE 25 8.563 0.303 -7.844 205 HA PHE 25 HA PHE 25 6.127 1.663 -8.181 206 HB2 PHE 25 2HB PHE 25 6.177 -0.540 -7.181 207 HB3 PHE 25 1HB PHE 25 7.155 0.048 -5.841 208 HD1 PHE 25 2HD PHE 25 3.887 0.758 -7.493 209 HD2 PHE 25 1HD PHE 25 6.095 0.526 -3.865 210 HE1 PHE 25 2HE PHE 25 1.840 1.253 -6.221 211 HE2 PHE 25 1HE PHE 25 4.053 1.021 -2.584 212 HZ PHE 25 HZ PHE 25 1.921 1.386 -3.762 213 H LYS 26 H LYS 26 8.500 1.920 -5.531 214 HA LYS 26 HA LYS 26 7.272 4.023 -4.171 215 HB2 LYS 26 2HB LYS 26 10.130 3.096 -4.330 216 HB3 LYS 26 1HB LYS 26 9.667 4.475 -3.342 217 HG2 LYS 26 2HG LYS 26 8.527 1.702 -3.069 218 HG3 LYS 26 1HG LYS 26 9.812 2.375 -2.065 219 HD2 LYS 26 2HD LYS 26 8.266 4.176 -1.365 220 HD3 LYS 26 1HD LYS 26 6.983 3.398 -2.296 221 HE2 LYS 26 2HE LYS 26 6.708 2.723 -0.038 222 HE3 LYS 26 1HE LYS 26 7.366 1.340 -0.910 223 HZ1 LYS 26 3HZ LYS 26 9.600 2.101 -0.091 224 HZ2 LYS 26 1HZ LYS 26 8.558 1.495 1.095 225 HZ3 LYS 26 2HZ LYS 26 8.786 3.163 0.940 226 H TYR 27 H TYR 27 9.144 4.023 -7.074 227 HA TYR 27 HA TYR 27 9.917 6.762 -7.029 228 HB2 TYR 27 2HB TYR 27 11.103 5.140 -8.412 229 HB3 TYR 27 1HB TYR 27 9.642 4.832 -9.341 230 HD1 TYR 27 2HD TYR 27 12.148 7.444 -8.531 231 HD2 TYR 27 1HD TYR 27 9.094 6.166 -11.205 232 HE1 TYR 27 2HE TYR 27 12.779 9.231 -10.097 233 HE2 TYR 27 1HE TYR 27 9.719 7.951 -12.779 234 HH TYR 27 HH TYR 27 12.595 9.743 -12.480 235 H PHE 28 H PHE 28 7.121 5.014 -8.267 236 HA PHE 28 HA PHE 28 6.039 7.320 -9.602 237 HB2 PHE 28 2HB PHE 28 5.014 4.543 -9.079 238 HB3 PHE 28 1HB PHE 28 3.966 5.789 -9.749 239 HD1 PHE 28 2HD PHE 28 4.873 7.024 -11.849 240 HD2 PHE 28 1HD PHE 28 6.288 3.244 -10.500 241 HE1 PHE 28 2HE PHE 28 5.744 6.552 -14.101 242 HE2 PHE 28 1HE PHE 28 7.163 2.765 -12.749 243 HZ PHE 28 HZ PHE 28 6.892 4.420 -14.553 244 H ALA 29 H ALA 29 5.097 5.451 -6.700 245 HA ALA 29 HA ALA 29 2.973 7.166 -5.978 246 HB1 ALA 29 1HB ALA 29 4.628 5.343 -4.234 247 HB2 ALA 29 2HB ALA 29 3.148 4.910 -5.091 248 HB3 ALA 29 3HB ALA 29 3.096 6.086 -3.777 249 H LEU 30 H LEU 30 6.300 6.940 -4.697 250 HA LEU 30 HA LEU 30 5.943 9.564 -3.450 251 HB2 LEU 30 2HB LEU 30 8.186 7.560 -3.158 252 HB3 LEU 30 1HB LEU 30 8.079 9.083 -2.301 253 HG LEU 30 HG LEU 30 7.410 7.435 -0.759 254 HD11 LEU 30 1HD1 LEU 30 5.967 9.381 -0.725 255 HD12 LEU 30 2HD1 LEU 30 5.056 7.929 -0.310 256 HD13 LEU 30 3HD1 LEU 30 4.903 8.636 -1.918 257 HD21 LEU 30 3HD2 LEU 30 5.495 6.335 -2.809 258 HD22 LEU 30 1HD2 LEU 30 5.789 5.707 -1.187 259 HD23 LEU 30 2HD2 LEU 30 7.063 5.630 -2.407 260 H THR 31 H THR 31 6.099 10.924 -5.249 261 HA THR 31 HA THR 31 8.486 10.751 -6.912 262 HB THR 31 HB THR 31 7.471 12.566 -8.230 263 HG1 THR 31 1HG THR 31 5.684 13.578 -7.566 264 HG21 THR 31 3HG2 THR 31 6.909 10.244 -8.764 265 HG22 THR 31 1HG2 THR 31 5.541 11.313 -9.075 266 HG23 THR 31 2HG2 THR 31 5.562 10.304 -7.628 267 H GLU 32 H GLU 32 6.873 13.171 -4.859 268 HA GLU 32 HA GLU 32 9.328 14.761 -4.822 269 HB2 GLU 32 2HB GLU 32 6.598 15.398 -3.689 270 HB3 GLU 32 1HB GLU 32 7.961 16.504 -3.785 271 HG2 GLU 32 2HG GLU 32 6.511 15.281 -6.123 272 HG3 GLU 32 1HG GLU 32 6.334 16.936 -5.539 273 H PHE 33 H PHE 33 7.766 12.406 -2.989 274 HA PHE 33 HA PHE 33 8.635 13.349 -0.402 275 HB2 PHE 33 2HB PHE 33 7.529 10.639 -1.156 276 HB3 PHE 33 1HB PHE 33 7.641 11.319 0.465 277 HD1 PHE 33 1HD PHE 33 6.273 13.373 1.001 278 HD2 PHE 33 2HD PHE 33 5.662 11.045 -2.508 279 HE1 PHE 33 1HE PHE 33 4.030 14.351 0.745 280 HE2 PHE 33 2HE PHE 33 3.420 12.019 -2.770 281 HZ PHE 33 HZ PHE 33 2.600 13.675 -1.143 282 H GLN 34 H GLN 34 9.882 11.349 -2.928 283 HA GLN 34 HA GLN 34 11.727 10.011 -3.108 284 HB2 GLN 34 2HB GLN 34 12.762 12.200 -1.304 285 HB3 GLN 34 1HB GLN 34 13.786 11.036 -2.133 286 HG2 GLN 34 2HG GLN 34 12.962 11.849 -4.287 287 HG3 GLN 34 1HG GLN 34 11.950 13.024 -3.448 288 HE21 GLN 34 1HE2 GLN 34 13.973 13.536 -1.403 289 HE22 GLN 34 2HE2 GLN 34 15.182 14.509 -2.161 290 H ILE 35 H ILE 35 10.433 8.405 -1.776 291 HA ILE 35 HA ILE 35 10.736 7.931 0.914 292 HB ILE 35 HB ILE 35 9.416 6.626 -0.948 293 HG12 ILE 35 2HG1 ILE 35 9.502 4.558 0.687 294 HG13 ILE 35 1HG1 ILE 35 10.458 5.652 1.681 295 HG21 ILE 35 1HG2 ILE 35 11.397 5.769 -2.096 296 HG22 ILE 35 2HG2 ILE 35 10.376 4.463 -1.494 297 HG23 ILE 35 3HG2 ILE 35 11.859 4.888 -0.639 298 HD11 ILE 35 3HD1 ILE 35 8.612 7.267 1.649 299 HD12 ILE 35 1HD1 ILE 35 8.129 5.715 2.334 300 HD13 ILE 35 2HD1 ILE 35 7.654 6.139 0.690 301 H ALA 36 H ALA 36 12.126 6.515 2.134 302 HA ALA 36 HA ALA 36 14.892 6.787 1.365 303 HB1 ALA 36 1HB ALA 36 15.365 5.861 3.594 304 HB2 ALA 36 2HB ALA 36 13.639 5.587 3.828 305 HB3 ALA 36 3HB ALA 36 14.254 7.229 3.656 306 H ARG 37 H ARG 37 16.308 5.214 0.812 307 HA ARG 37 HA ARG 37 15.319 2.853 -0.390 308 HB2 ARG 37 2HB ARG 37 17.341 3.996 -1.177 309 HB3 ARG 37 1HB ARG 37 18.155 3.610 0.332 310 HG2 ARG 37 2HG ARG 37 18.925 2.070 -1.289 311 HG3 ARG 37 1HG ARG 37 17.834 1.186 -0.221 312 HD2 ARG 37 2HD ARG 37 17.322 0.536 -2.452 313 HD3 ARG 37 1HD ARG 37 16.018 1.585 -1.899 314 HE ARG 37 HE ARG 37 18.110 2.948 -3.339 315 HH11 ARG 37 1HH1 ARG 37 15.079 1.246 -3.575 316 HH12 ARG 37 2HH1 ARG 37 14.654 1.952 -5.098 317 HH21 ARG 37 1HH2 ARG 37 17.558 3.881 -5.346 318 HH22 ARG 37 2HH2 ARG 37 16.064 3.448 -6.105 319 H SER 38 H SER 38 17.249 3.371 2.556 320 HA SER 38 HA SER 38 17.457 0.671 3.297 321 HB2 SER 38 2HB SER 38 17.478 3.142 5.047 322 HB3 SER 38 1HB SER 38 18.013 1.537 5.548 323 HG SER 38 HG SER 38 19.863 2.304 4.846 324 H THR 39 H THR 39 14.909 2.994 3.695 325 HA THR 39 HA THR 39 13.458 1.820 5.774 326 HB THR 39 HB THR 39 12.625 3.532 3.442 327 HG1 THR 39 1HG THR 39 13.854 4.400 5.257 328 HG21 THR 39 3HG2 THR 39 10.662 2.258 3.916 329 HG22 THR 39 1HG2 THR 39 10.457 3.841 4.666 330 HG23 THR 39 2HG2 THR 39 10.891 2.445 5.653 331 H LEU 40 H LEU 40 13.761 0.923 2.426 332 HA LEU 40 HA LEU 40 11.430 -0.550 2.044 333 HB2 LEU 40 2HB LEU 40 14.172 -1.128 0.925 334 HB3 LEU 40 1HB LEU 40 12.658 -1.749 0.297 335 HG LEU 40 HG LEU 40 13.513 1.146 0.322 336 HD11 LEU 40 1HD1 LEU 40 14.701 -0.203 -1.324 337 HD12 LEU 40 2HD1 LEU 40 13.570 0.901 -2.106 338 HD13 LEU 40 3HD1 LEU 40 13.166 -0.808 -1.947 339 HD21 LEU 40 3HD2 LEU 40 10.988 -0.158 -0.687 340 HD22 LEU 40 1HD2 LEU 40 11.473 1.502 -1.035 341 HD23 LEU 40 2HD2 LEU 40 11.129 1.014 0.624 342 H ASP 41 H ASP 41 13.809 -1.154 4.312 343 HA ASP 41 HA ASP 41 14.020 -3.955 4.265 344 HB2 ASP 41 2HB ASP 41 15.476 -2.401 5.583 345 HB3 ASP 41 1HB ASP 41 14.137 -2.171 6.705 346 H VAL 42 H VAL 42 12.102 -2.008 6.566 347 HA VAL 42 HA VAL 42 10.168 -4.234 6.705 348 HB VAL 42 HB VAL 42 9.552 -3.187 8.957 349 HG11 VAL 42 1HG1 VAL 42 11.374 -4.367 10.123 350 HG12 VAL 42 2HG1 VAL 42 12.256 -4.477 8.600 351 HG13 VAL 42 3HG1 VAL 42 10.714 -5.311 8.788 352 HG21 VAL 42 3HG2 VAL 42 11.337 -1.919 10.064 353 HG22 VAL 42 1HG2 VAL 42 10.693 -1.063 8.663 354 HG23 VAL 42 2HG2 VAL 42 12.245 -1.892 8.552 355 H ALA 43 H ALA 43 10.418 -1.609 5.074 356 HA ALA 43 HA ALA 43 8.570 0.281 5.682 357 HB1 ALA 43 1HB ALA 43 9.098 -0.889 2.965 358 HB2 ALA 43 2HB ALA 43 9.974 0.437 3.730 359 HB3 ALA 43 3HB ALA 43 8.284 0.645 3.273 360 H ASP 44 H ASP 44 7.865 -2.924 4.420 361 HA ASP 44 HA ASP 44 5.263 -2.479 3.574 362 HB2 ASP 44 2HB ASP 44 4.917 -4.898 3.890 363 HB3 ASP 44 1HB ASP 44 6.446 -4.540 3.092 364 H ARG 45 H ARG 45 6.250 -3.669 6.833 365 HA ARG 45 HA ARG 45 3.521 -3.465 7.706 366 HB2 ARG 45 2HB ARG 45 4.430 -4.163 9.917 367 HB3 ARG 45 1HB ARG 45 4.782 -5.261 8.591 368 HG2 ARG 45 2HG ARG 45 7.042 -4.137 8.432 369 HG3 ARG 45 1HG ARG 45 6.653 -3.356 9.965 370 HD2 ARG 45 2HD ARG 45 6.289 -5.598 10.958 371 HD3 ARG 45 1HD ARG 45 6.827 -6.317 9.441 372 HE ARG 45 HE ARG 45 8.822 -4.573 10.262 373 HH11 ARG 45 1HH1 ARG 45 7.297 -7.487 11.416 374 HH12 ARG 45 2HH1 ARG 45 8.704 -8.041 12.261 375 HH21 ARG 45 1HH2 ARG 45 10.679 -5.298 11.370 376 HH22 ARG 45 2HH2 ARG 45 10.625 -6.797 12.237 377 H THR 46 H THR 46 6.472 -1.872 8.979 378 HA THR 46 HA THR 46 4.839 -0.039 10.493 379 HB THR 46 HB THR 46 7.836 -0.213 10.322 380 HG1 THR 46 1HG THR 46 5.979 -1.772 11.528 381 HG21 THR 46 3HG2 THR 46 7.752 0.998 12.480 382 HG22 THR 46 1HG2 THR 46 6.010 1.190 12.279 383 HG23 THR 46 2HG2 THR 46 7.119 1.956 11.142 384 H GLU 47 H GLU 47 7.475 0.505 8.139 385 HA GLU 47 HA GLU 47 7.194 3.320 8.263 386 HB2 GLU 47 2HB GLU 47 8.914 1.390 6.940 387 HB3 GLU 47 1HB GLU 47 8.647 2.850 5.991 388 HG2 GLU 47 2HG GLU 47 9.601 2.791 8.846 389 HG3 GLU 47 1HG GLU 47 10.637 2.979 7.433 390 H LEU 48 H LEU 48 6.569 1.215 5.422 391 HA LEU 48 HA LEU 48 5.662 3.216 3.754 392 HB2 LEU 48 2HB LEU 48 5.931 0.514 3.525 393 HB3 LEU 48 1HB LEU 48 4.189 0.694 3.462 394 HG LEU 48 HG LEU 48 6.161 2.073 1.642 395 HD11 LEU 48 1HD1 LEU 48 6.044 -0.307 1.198 396 HD12 LEU 48 2HD1 LEU 48 5.242 0.597 -0.088 397 HD13 LEU 48 3HD1 LEU 48 4.283 -0.230 1.141 398 HD21 LEU 48 3HD2 LEU 48 4.175 3.426 1.991 399 HD22 LEU 48 1HD2 LEU 48 3.144 2.042 1.626 400 HD23 LEU 48 2HD2 LEU 48 4.168 2.736 0.368 401 H ALA 49 H ALA 49 3.826 1.438 6.191 402 HA ALA 49 HA ALA 49 1.274 2.343 5.407 403 HB1 ALA 49 1HB ALA 49 2.216 1.494 8.141 404 HB2 ALA 49 2HB ALA 49 1.598 0.427 6.880 405 HB3 ALA 49 3HB ALA 49 0.537 1.626 7.618 406 H ASP 50 H ASP 50 3.379 3.511 8.045 407 HA ASP 50 HA ASP 50 1.701 5.691 8.715 408 HB2 ASP 50 2HB ASP 50 4.579 5.075 9.358 409 HB3 ASP 50 1HB ASP 50 3.742 6.493 9.984 410 H HIS 51 H HIS 51 4.416 5.393 6.503 411 HA HIS 51 HA HIS 51 4.987 8.128 6.208 412 HB2 HIS 51 2HB HIS 51 6.474 6.281 5.459 413 HB3 HIS 51 1HB HIS 51 5.357 5.965 4.132 414 HD1 HIS 51 1HD HIS 51 5.165 7.908 2.295 415 HD2 HIS 51 2HD HIS 51 8.252 8.304 5.047 416 HE1 HIS 51 1HE HIS 51 6.747 9.638 1.344 417 H LEU 52 H LEU 52 3.121 6.028 3.990 418 HA LEU 52 HA LEU 52 2.375 8.018 2.219 419 HB2 LEU 52 2HB LEU 52 0.465 6.520 1.613 420 HB3 LEU 52 1HB LEU 52 2.057 5.785 1.562 421 HG LEU 52 HG LEU 52 1.452 4.938 3.958 422 HD11 LEU 52 1HD1 LEU 52 -0.662 6.321 4.002 423 HD12 LEU 52 2HD1 LEU 52 -0.838 4.621 4.423 424 HD13 LEU 52 3HD1 LEU 52 -1.318 5.187 2.825 425 HD21 LEU 52 3HD2 LEU 52 1.840 3.487 2.069 426 HD22 LEU 52 1HD2 LEU 52 0.229 3.823 1.440 427 HD23 LEU 52 2HD2 LEU 52 0.419 2.938 2.953 428 H ILE 53 H ILE 53 0.969 7.218 5.326 429 HA ILE 53 HA ILE 53 -1.513 8.434 5.114 430 HB ILE 53 HB ILE 53 0.327 8.272 7.501 431 HG12 ILE 53 2HG1 ILE 53 -2.156 6.688 6.813 432 HG13 ILE 53 1HG1 ILE 53 -0.517 6.138 6.489 433 HG21 ILE 53 1HG2 ILE 53 -2.572 9.100 7.390 434 HG22 ILE 53 2HG2 ILE 53 -1.203 10.108 7.861 435 HG23 ILE 53 3HG2 ILE 53 -1.677 8.741 8.867 436 HD11 ILE 53 3HD1 ILE 53 -1.730 6.686 9.186 437 HD12 ILE 53 1HD1 ILE 53 -0.048 6.235 8.907 438 HD13 ILE 53 2HD1 ILE 53 -1.342 5.110 8.497 439 H GLN 54 H GLN 54 1.643 9.904 5.606 440 HA GLN 54 HA GLN 54 0.674 12.489 6.279 441 HB2 GLN 54 2HB GLN 54 3.346 11.631 5.158 442 HB3 GLN 54 1HB GLN 54 2.990 13.234 5.785 443 HG2 GLN 54 2HG GLN 54 2.501 12.237 7.982 444 HG3 GLN 54 1HG GLN 54 2.949 10.657 7.338 445 HE21 GLN 54 1HE2 GLN 54 5.109 10.221 6.887 446 HE22 GLN 54 2HE2 GLN 54 6.393 11.196 7.510 447 H SER 55 H SER 55 1.199 10.831 3.272 448 HA SER 55 HA SER 55 1.343 13.134 1.609 449 HB2 SER 55 2HB SER 55 2.208 10.985 0.854 450 HB3 SER 55 1HB SER 55 0.595 10.279 0.941 451 HG SER 55 HG SER 55 0.972 10.868 -1.172 452 H ALA 56 H ALA 56 -1.319 10.774 2.062 453 HA ALA 56 HA ALA 56 -3.186 12.948 1.359 454 HB1 ALA 56 1HB ALA 56 -4.624 11.316 0.268 455 HB2 ALA 56 2HB ALA 56 -3.476 10.032 0.650 456 HB3 ALA 56 3HB ALA 56 -3.018 11.323 -0.460 457 H GLY 57 H GLY 57 -2.620 10.063 3.290 458 HA2 GLY 57 2HA GLY 57 -3.600 10.612 5.649 459 HA3 GLY 57 1HA GLY 57 -5.117 10.519 4.765 460 H ALA 58 H ALA 58 -5.255 8.817 6.620 461 HA ALA 58 HA ALA 58 -3.874 6.357 6.239 462 HB1 ALA 58 1HB ALA 58 -4.768 7.029 8.416 463 HB2 ALA 58 2HB ALA 58 -5.395 5.460 7.913 464 HB3 ALA 58 3HB ALA 58 -6.408 6.898 7.780 465 H ALA 59 H ALA 59 -7.390 6.914 6.017 466 HA ALA 59 HA ALA 59 -7.825 4.589 4.458 467 HB1 ALA 59 1HB ALA 59 -9.638 6.957 4.886 468 HB2 ALA 59 2HB ALA 59 -9.540 5.527 5.913 469 HB3 ALA 59 3HB ALA 59 -10.118 5.382 4.254 470 H SER 60 H SER 60 -7.288 7.954 3.626 471 HA SER 60 HA SER 60 -8.199 7.813 0.954 472 HB2 SER 60 2HB SER 60 -6.192 9.694 2.210 473 HB3 SER 60 1HB SER 60 -6.952 9.921 0.636 474 HG SER 60 HG SER 60 -8.997 9.716 1.947 475 H ALA 61 H ALA 61 -4.900 7.614 2.301 476 HA ALA 61 HA ALA 61 -3.683 7.195 -0.234 477 HB1 ALA 61 1HB ALA 61 -2.465 8.168 1.632 478 HB2 ALA 61 2HB ALA 61 -1.655 6.725 1.024 479 HB3 ALA 61 3HB ALA 61 -2.593 6.648 2.516 480 H VAL 62 H VAL 62 -4.630 4.979 2.380 481 HA VAL 62 HA VAL 62 -3.470 2.658 1.329 482 HB VAL 62 HB VAL 62 -5.908 2.989 3.078 483 HG11 VAL 62 1HG1 VAL 62 -4.423 0.465 2.354 484 HG12 VAL 62 2HG1 VAL 62 -6.095 0.855 1.953 485 HG13 VAL 62 3HG1 VAL 62 -5.628 0.597 3.635 486 HG21 VAL 62 3HG2 VAL 62 -4.411 2.347 4.877 487 HG22 VAL 62 1HG2 VAL 62 -3.767 3.749 4.023 488 HG23 VAL 62 2HG2 VAL 62 -3.086 2.148 3.730 489 H THR 63 H THR 63 -6.458 4.287 0.506 490 HA THR 63 HA THR 63 -7.498 2.074 -1.013 491 HB THR 63 HB THR 63 -9.185 3.769 -1.820 492 HG1 THR 63 1HG THR 63 -9.136 5.798 -0.947 493 HG21 THR 63 3HG2 THR 63 -9.653 2.318 0.079 494 HG22 THR 63 1HG2 THR 63 -10.327 3.925 0.356 495 HG23 THR 63 2HG2 THR 63 -8.834 3.442 1.163 496 H LYS 64 H LYS 64 -6.047 5.227 -1.815 497 HA LYS 64 HA LYS 64 -6.228 4.888 -4.620 498 HB2 LYS 64 2HB LYS 64 -4.710 6.778 -4.778 499 HB3 LYS 64 1HB LYS 64 -5.934 7.086 -3.554 500 HG2 LYS 64 2HG LYS 64 -4.431 6.891 -1.812 501 HG3 LYS 64 1HG LYS 64 -3.281 5.958 -2.772 502 HD2 LYS 64 2HD LYS 64 -2.732 7.920 -4.076 503 HD3 LYS 64 1HD LYS 64 -3.944 8.866 -3.209 504 HE2 LYS 64 2HE LYS 64 -1.744 9.347 -2.327 505 HE3 LYS 64 1HE LYS 64 -2.700 8.494 -1.117 506 HZ1 LYS 64 3HZ LYS 64 -0.639 7.271 -2.873 507 HZ2 LYS 64 1HZ LYS 64 -1.560 6.446 -1.719 508 HZ3 LYS 64 2HZ LYS 64 -0.452 7.627 -1.230 509 H ALA 65 H ALA 65 -3.811 3.989 -2.246 510 HA ALA 65 HA ALA 65 -1.621 3.485 -3.870 511 HB1 ALA 65 1HB ALA 65 -1.546 3.401 -1.421 512 HB2 ALA 65 2HB ALA 65 -0.867 1.942 -2.144 513 HB3 ALA 65 3HB ALA 65 -2.486 1.909 -1.447 514 H ILE 66 H ILE 66 -4.552 1.682 -3.414 515 HA ILE 66 HA ILE 66 -3.728 -0.782 -4.521 516 HB ILE 66 HB ILE 66 -6.453 0.492 -4.306 517 HG12 ILE 66 2HG1 ILE 66 -5.244 -0.148 -2.200 518 HG13 ILE 66 1HG1 ILE 66 -6.782 -0.969 -2.433 519 HG21 ILE 66 1HG2 ILE 66 -5.715 -2.270 -5.251 520 HG22 ILE 66 2HG2 ILE 66 -6.585 -1.022 -6.144 521 HG23 ILE 66 3HG2 ILE 66 -7.338 -1.796 -4.751 522 HD11 ILE 66 3HD1 ILE 66 -4.098 -2.171 -3.073 523 HD12 ILE 66 1HD1 ILE 66 -5.666 -2.980 -3.113 524 HD13 ILE 66 2HD1 ILE 66 -4.994 -2.435 -1.576 525 H ASN 67 H ASN 67 -5.123 2.136 -5.941 526 HA ASN 67 HA ASN 67 -5.527 1.076 -8.532 527 HB2 ASN 67 2HB ASN 67 -5.149 3.946 -7.662 528 HB3 ASN 67 1HB ASN 67 -5.764 3.429 -9.228 529 HD21 ASN 67 1HD2 ASN 67 -7.818 2.502 -9.360 530 HD22 ASN 67 2HD2 ASN 67 -8.982 2.689 -8.097 531 H ILE 68 H ILE 68 -2.811 2.777 -7.046 532 HA ILE 68 HA ILE 68 -1.332 3.009 -9.488 533 HB ILE 68 HB ILE 68 -0.359 3.235 -6.636 534 HG12 ILE 68 2HG1 ILE 68 -1.019 5.481 -8.540 535 HG13 ILE 68 1HG1 ILE 68 -2.197 4.833 -7.401 536 HG21 ILE 68 1HG2 ILE 68 1.480 2.827 -8.142 537 HG22 ILE 68 2HG2 ILE 68 1.504 4.518 -7.640 538 HG23 ILE 68 3HG2 ILE 68 0.904 4.083 -9.239 539 HD11 ILE 68 3HD1 ILE 68 0.447 6.077 -6.682 540 HD12 ILE 68 1HD1 ILE 68 -0.749 5.455 -5.547 541 HD13 ILE 68 2HD1 ILE 68 -1.133 6.849 -6.556 542 H PHE 69 H PHE 69 -0.995 0.963 -6.599 543 HA PHE 69 HA PHE 69 1.215 -0.511 -7.445 544 HB2 PHE 69 2HB PHE 69 0.393 -0.470 -5.125 545 HB3 PHE 69 1HB PHE 69 -1.021 -1.396 -5.614 546 HD1 PHE 69 1HD PHE 69 2.694 -1.551 -5.563 547 HD2 PHE 69 2HD PHE 69 -0.975 -3.709 -5.520 548 HE1 PHE 69 1HE PHE 69 3.930 -3.638 -5.158 549 HE2 PHE 69 2HE PHE 69 0.256 -5.801 -5.115 550 HZ PHE 69 HZ PHE 69 2.711 -5.766 -4.932 551 H GLN 70 H GLN 70 -2.223 -1.030 -8.075 552 HA GLN 70 HA GLN 70 -1.909 -3.651 -9.106 553 HB2 GLN 70 2HB GLN 70 -4.184 -3.488 -9.854 554 HB3 GLN 70 1HB GLN 70 -4.062 -2.736 -8.275 555 HG2 GLN 70 2HG GLN 70 -4.092 -0.535 -9.299 556 HG3 GLN 70 1HG GLN 70 -4.158 -1.269 -10.900 557 HE21 GLN 70 1HE2 GLN 70 -5.933 -3.413 -9.983 558 HE22 GLN 70 2HE2 GLN 70 -7.494 -2.694 -9.817 559 H LYS 71 H LYS 71 -2.427 -0.559 -10.802 560 HA LYS 71 HA LYS 71 -2.116 -1.656 -13.385 561 HB2 LYS 71 2HB LYS 71 -3.301 0.456 -12.906 562 HB3 LYS 71 1HB LYS 71 -1.772 1.206 -12.480 563 HG2 LYS 71 2HG LYS 71 -2.407 1.863 -14.703 564 HG3 LYS 71 1HG LYS 71 -0.976 0.837 -14.781 565 HD2 LYS 71 2HD LYS 71 -2.494 0.189 -16.531 566 HD3 LYS 71 1HD LYS 71 -2.448 -1.090 -15.316 567 HE2 LYS 71 2HE LYS 71 -4.732 -0.665 -16.059 568 HE3 LYS 71 1HE LYS 71 -4.534 -0.260 -14.355 569 HZ1 LYS 71 3HZ LYS 71 -5.808 1.421 -15.544 570 HZ2 LYS 71 1HZ LYS 71 -4.510 1.690 -16.597 571 HZ3 LYS 71 2HZ LYS 71 -4.360 2.067 -14.954 572 H LEU 72 H LEU 72 0.222 -1.185 -11.015 573 HA LEU 72 HA LEU 72 2.316 -0.567 -12.982 574 HB2 LEU 72 2HB LEU 72 1.893 -0.059 -10.165 575 HB3 LEU 72 1HB LEU 72 3.477 -0.735 -10.476 576 HG LEU 72 HG LEU 72 3.567 1.681 -10.441 577 HD11 LEU 72 1HD1 LEU 72 5.110 0.524 -11.918 578 HD12 LEU 72 2HD1 LEU 72 4.629 2.073 -12.612 579 HD13 LEU 72 3HD1 LEU 72 3.922 0.577 -13.222 580 HD21 LEU 72 3HD2 LEU 72 1.604 1.582 -12.725 581 HD22 LEU 72 1HD2 LEU 72 2.416 3.029 -12.128 582 HD23 LEU 72 2HD2 LEU 72 1.275 2.168 -11.095 583 H ASN 73 H ASN 73 1.554 -3.012 -10.487 584 HA ASN 73 HA ASN 73 3.682 -4.649 -11.704 585 HB2 ASN 73 2HB ASN 73 4.192 -3.743 -9.408 586 HB3 ASN 73 1HB ASN 73 2.906 -4.780 -8.798 587 HD21 ASN 73 1HD2 ASN 73 5.695 -4.861 -8.137 588 HD22 ASN 73 2HD2 ASN 73 6.276 -6.423 -8.590 589 H TYR 74 H TYR 74 0.684 -4.939 -9.786 590 HA TYR 74 HA TYR 74 0.158 -7.447 -11.222 591 HB2 TYR 74 2HB TYR 74 0.246 -7.124 -8.238 592 HB3 TYR 74 1HB TYR 74 -0.653 -8.427 -9.007 593 HD1 TYR 74 1HD TYR 74 0.778 -9.762 -10.837 594 HD2 TYR 74 2HD TYR 74 2.401 -7.573 -7.569 595 HE1 TYR 74 1HE TYR 74 2.829 -11.113 -10.960 596 HE2 TYR 74 2HE TYR 74 4.459 -8.916 -7.687 597 HH TYR 74 HH TYR 74 5.182 -10.946 -10.316 598 H MET 75 H MET 75 -1.285 -5.587 -12.183 599 HA MET 75 HA MET 75 -3.513 -4.608 -10.882 600 HB2 MET 75 2HB MET 75 -2.853 -3.967 -13.169 601 HB3 MET 75 1HB MET 75 -3.356 -5.546 -13.753 602 HG2 MET 75 2HG MET 75 -5.662 -5.021 -12.968 603 HG3 MET 75 1HG MET 75 -5.105 -3.390 -12.601 604 HE1 MET 75 3HE MET 75 -4.159 -5.766 -15.624 605 HE2 MET 75 1HE MET 75 -5.326 -5.221 -16.829 606 HE3 MET 75 2HE MET 75 -5.883 -6.024 -15.361 607 H HIS 76 H HIS 76 -2.796 -7.846 -11.739 608 HA HIS 76 HA HIS 76 -5.517 -8.795 -11.707 609 HB2 HIS 76 2HB HIS 76 -3.748 -9.881 -13.068 610 HB3 HIS 76 1HB HIS 76 -2.932 -10.360 -11.585 611 HD1 HIS 76 1HD HIS 76 -5.930 -11.187 -13.695 612 HD2 HIS 76 2HD HIS 76 -4.038 -12.512 -10.241 613 HE1 HIS 76 1HE HIS 76 -6.967 -13.425 -13.131 614 H ILE 77 H ILE 77 -2.698 -9.101 -9.541 615 HA ILE 77 HA ILE 77 -4.058 -10.558 -7.531 616 HB ILE 77 HB ILE 77 -1.531 -8.914 -7.413 617 HG12 ILE 77 2HG1 ILE 77 -2.026 -11.900 -7.500 618 HG13 ILE 77 1HG1 ILE 77 -1.418 -10.914 -8.825 619 HG21 ILE 77 1HG2 ILE 77 -2.722 -10.703 -5.298 620 HG22 ILE 77 2HG2 ILE 77 -2.474 -8.960 -5.192 621 HG23 ILE 77 3HG2 ILE 77 -1.086 -10.045 -5.260 622 HD11 ILE 77 3HD1 ILE 77 -0.022 -11.429 -6.209 623 HD12 ILE 77 1HD1 ILE 77 0.587 -10.410 -7.513 624 HD13 ILE 77 2HD1 ILE 77 0.379 -12.141 -7.772 625 H ALA 78 H ALA 78 -3.185 -7.106 -7.736 626 HA ALA 78 HA ALA 78 -4.230 -6.295 -5.294 627 HB1 ALA 78 1HB ALA 78 -4.015 -4.757 -7.873 628 HB2 ALA 78 2HB ALA 78 -2.816 -4.842 -6.582 629 HB3 ALA 78 3HB ALA 78 -4.360 -4.038 -6.301 630 H ASN 79 H ASN 79 -5.861 -6.950 -8.320 631 HA ASN 79 HA ASN 79 -8.267 -5.636 -7.959 632 HB2 ASN 79 2HB ASN 79 -7.656 -6.853 -10.016 633 HB3 ASN 79 1HB ASN 79 -7.860 -8.382 -9.165 634 HD21 ASN 79 1HD2 ASN 79 -9.465 -5.621 -10.534 635 HD22 ASN 79 2HD2 ASN 79 -11.058 -6.291 -10.528 636 H ALA 80 H ALA 80 -7.097 -8.577 -6.471 637 HA ALA 80 HA ALA 80 -9.599 -9.374 -5.360 638 HB1 ALA 80 1HB ALA 80 -7.771 -10.960 -5.746 639 HB2 ALA 80 2HB ALA 80 -8.301 -10.969 -4.063 640 HB3 ALA 80 3HB ALA 80 -6.809 -10.143 -4.514 641 H LEU 81 H LEU 81 -6.947 -7.345 -4.269 642 HA LEU 81 HA LEU 81 -7.794 -7.199 -1.551 643 HB2 LEU 81 2HB LEU 81 -5.908 -5.510 -3.179 644 HB3 LEU 81 1HB LEU 81 -6.235 -5.201 -1.486 645 HG LEU 81 HG LEU 81 -5.461 -7.601 -1.058 646 HD11 LEU 81 1HD1 LEU 81 -3.953 -8.551 -2.714 647 HD12 LEU 81 2HD1 LEU 81 -4.320 -7.230 -3.823 648 HD13 LEU 81 3HD1 LEU 81 -5.580 -8.379 -3.374 649 HD21 LEU 81 3HD2 LEU 81 -3.532 -5.512 -2.059 650 HD22 LEU 81 1HD2 LEU 81 -3.085 -6.926 -1.104 651 HD23 LEU 81 2HD2 LEU 81 -4.138 -5.692 -0.412 652 H GLU 82 H GLU 82 -8.191 -5.027 -4.345 653 HA GLU 82 HA GLU 82 -9.391 -2.893 -3.040 654 HB2 GLU 82 2HB GLU 82 -10.343 -2.266 -5.194 655 HB3 GLU 82 1HB GLU 82 -8.682 -2.804 -5.383 656 HG2 GLU 82 2HG GLU 82 -9.437 -4.949 -6.203 657 HG3 GLU 82 1HG GLU 82 -11.116 -4.475 -5.950 658 H GLU 83 H GLU 83 -10.710 -6.005 -3.847 659 HA GLU 83 HA GLU 83 -13.456 -5.317 -3.661 660 HB2 GLU 83 2HB GLU 83 -12.063 -7.970 -3.258 661 HB3 GLU 83 1HB GLU 83 -13.806 -7.766 -3.366 662 HG2 GLU 83 2HG GLU 83 -11.812 -7.123 -5.525 663 HG3 GLU 83 1HG GLU 83 -12.875 -8.528 -5.472 664 H LYS 84 H LYS 84 -11.043 -6.355 -1.324 665 HA LYS 84 HA LYS 84 -12.682 -6.913 0.856 666 HB2 LYS 84 2HB LYS 84 -10.258 -7.381 0.771 667 HB3 LYS 84 1HB LYS 84 -9.932 -5.658 0.896 668 HG2 LYS 84 2HG LYS 84 -11.096 -5.662 3.093 669 HG3 LYS 84 1HG LYS 84 -11.224 -7.417 2.968 670 HD2 LYS 84 2HD LYS 84 -8.591 -5.974 2.789 671 HD3 LYS 84 1HD LYS 84 -9.278 -6.494 4.327 672 HE2 LYS 84 2HE LYS 84 -7.806 -8.215 3.677 673 HE3 LYS 84 1HE LYS 84 -9.422 -8.814 3.314 674 HZ1 LYS 84 3HZ LYS 84 -7.687 -7.515 1.292 675 HZ2 LYS 84 1HZ LYS 84 -9.110 -8.391 1.024 676 HZ3 LYS 84 2HZ LYS 84 -7.713 -9.187 1.548 677 H LYS 85 H LYS 85 -11.716 -3.878 -0.523 678 HA LYS 85 HA LYS 85 -12.063 -2.110 1.559 679 HB2 LYS 85 2HB LYS 85 -11.231 -1.473 -0.660 680 HB3 LYS 85 1HB LYS 85 -12.840 -1.699 -1.333 681 HG2 LYS 85 2HG LYS 85 -13.689 0.108 0.067 682 HG3 LYS 85 1HG LYS 85 -12.082 0.328 0.763 683 HD2 LYS 85 2HD LYS 85 -11.200 0.904 -1.441 684 HD3 LYS 85 1HD LYS 85 -12.797 0.657 -2.151 685 HE2 LYS 85 2HE LYS 85 -13.693 2.464 -0.774 686 HE3 LYS 85 1HE LYS 85 -12.106 2.702 -0.043 687 HZ1 LYS 85 3HZ LYS 85 -12.744 3.054 -2.923 688 HZ2 LYS 85 1HZ LYS 85 -11.233 3.309 -2.206 689 HZ3 LYS 85 2HZ LYS 85 -12.539 4.305 -1.802 690 H LYS 86 H LYS 86 -14.543 -3.708 -0.371 691 HA LYS 86 HA LYS 86 -16.743 -2.145 0.272 692 HB2 LYS 86 2HB LYS 86 -18.116 -3.989 -0.333 693 HB3 LYS 86 1HB LYS 86 -16.682 -4.083 -1.344 694 HG2 LYS 86 2HG LYS 86 -15.765 -5.810 0.131 695 HG3 LYS 86 1HG LYS 86 -17.219 -5.722 1.125 696 HD2 LYS 86 2HD LYS 86 -18.559 -6.348 -0.867 697 HD3 LYS 86 1HD LYS 86 -17.056 -6.549 -1.772 698 HE2 LYS 86 2HE LYS 86 -17.864 -8.696 -0.970 699 HE3 LYS 86 1HE LYS 86 -16.342 -8.275 -0.185 700 HZ1 LYS 86 3HZ LYS 86 -19.048 -7.956 1.001 701 HZ2 LYS 86 1HZ LYS 86 -17.590 -7.543 1.754 702 HZ3 LYS 86 2HZ LYS 86 -17.930 -9.162 1.399 703 H GLU 87 H GLU 87 -15.209 -4.720 2.128 704 HA GLU 87 HA GLU 87 -17.167 -4.663 4.229 705 HB2 GLU 87 2HB GLU 87 -15.781 -6.670 3.624 706 HB3 GLU 87 1HB GLU 87 -14.384 -5.842 4.297 707 HG2 GLU 87 2HG GLU 87 -15.198 -7.353 5.934 708 HG3 GLU 87 1HG GLU 87 -15.587 -5.719 6.471 709 H ALA 88 H ALA 88 -14.153 -3.083 3.531 710 HA ALA 88 HA ALA 88 -13.396 -2.215 6.069 711 HB1 ALA 88 1HB ALA 88 -12.108 -0.503 4.935 712 HB2 ALA 88 2HB ALA 88 -13.033 -0.759 3.455 713 HB3 ALA 88 3HB ALA 88 -11.983 -2.035 4.069 714 H GLU 89 H GLU 89 -15.925 -1.091 3.968 715 HA GLU 89 HA GLU 89 -16.325 1.500 4.802 716 HB2 GLU 89 2HB GLU 89 -18.427 -0.570 4.149 717 HB3 GLU 89 1HB GLU 89 -18.710 1.163 4.230 718 HG2 GLU 89 2HG GLU 89 -17.132 1.504 2.393 719 HG3 GLU 89 1HG GLU 89 -16.862 -0.237 2.308 720 H ARG 90 H ARG 90 -17.682 -1.444 6.310 721 HA ARG 90 HA ARG 90 -18.949 0.013 8.414 722 HB2 ARG 90 2HB ARG 90 -19.421 -2.163 9.397 723 HB3 ARG 90 1HB ARG 90 -19.772 -2.179 7.674 724 HG2 ARG 90 2HG ARG 90 -17.809 -3.426 7.200 725 HG3 ARG 90 1HG ARG 90 -17.202 -3.213 8.844 726 HD2 ARG 90 2HD ARG 90 -19.682 -4.741 8.059 727 HD3 ARG 90 1HD ARG 90 -18.130 -5.456 8.493 728 HE ARG 90 HE ARG 90 -19.059 -3.757 10.559 729 HH11 ARG 90 1HH1 ARG 90 -19.589 -6.883 9.118 730 HH12 ARG 90 2HH1 ARG 90 -20.221 -7.589 10.568 731 HH21 ARG 90 1HH2 ARG 90 -19.893 -4.676 12.473 732 HH22 ARG 90 2HH2 ARG 90 -20.391 -6.334 12.476 733 H LYS 91 H LYS 91 -15.743 -1.051 7.894 734 HA LYS 91 HA LYS 91 -15.004 -1.306 10.656 735 HB2 LYS 91 2HB LYS 91 -13.371 -1.084 8.128 736 HB3 LYS 91 1HB LYS 91 -12.657 -1.274 9.723 737 HG2 LYS 91 2HG LYS 91 -13.823 -3.405 9.993 738 HG3 LYS 91 1HG LYS 91 -14.536 -3.214 8.390 739 HD2 LYS 91 2HD LYS 91 -12.635 -4.687 8.236 740 HD3 LYS 91 1HD LYS 91 -12.249 -3.166 7.430 741 HE2 LYS 91 2HE LYS 91 -10.378 -3.961 8.794 742 HE3 LYS 91 1HE LYS 91 -11.005 -2.423 9.384 743 HZ1 LYS 91 3HZ LYS 91 -11.617 -5.094 10.531 744 HZ2 LYS 91 1HZ LYS 91 -12.225 -3.619 11.095 745 HZ3 LYS 91 2HZ LYS 91 -10.569 -3.948 11.200 746 H LEU 92 H LEU 92 -15.472 1.317 8.532 747 HA LEU 92 HA LEU 92 -13.840 3.091 10.216 748 HB2 LEU 92 2HB LEU 92 -14.801 3.262 7.390 749 HB3 LEU 92 1HB LEU 92 -14.444 4.737 8.266 750 HG LEU 92 HG LEU 92 -12.549 4.039 6.895 751 HD11 LEU 92 1HD1 LEU 92 -10.820 4.113 8.605 752 HD12 LEU 92 2HD1 LEU 92 -12.009 3.711 9.843 753 HD13 LEU 92 3HD1 LEU 92 -12.121 5.243 8.978 754 HD21 LEU 92 3HD2 LEU 92 -12.962 1.632 6.894 755 HD22 LEU 92 1HD2 LEU 92 -12.532 1.552 8.601 756 HD23 LEU 92 2HD2 LEU 92 -11.314 1.996 7.406 757 H MET 93 H MET 93 -16.787 1.957 10.351 758 HA MET 93 HA MET 93 -18.195 4.498 10.686 759 HB2 MET 93 2HB MET 93 -19.180 1.642 10.777 760 HB3 MET 93 1HB MET 93 -20.202 3.053 11.014 761 HG2 MET 93 2HG MET 93 -18.624 2.466 8.522 762 HG3 MET 93 1HG MET 93 -20.338 2.120 8.740 763 HE1 MET 93 3HE MET 93 -21.928 5.648 8.975 764 HE2 MET 93 1HE MET 93 -21.428 4.625 10.321 765 HE3 MET 93 2HE MET 93 -22.208 3.909 8.911 766 H THR 94 H THR 94 -16.445 2.273 12.504 767 HA THR 94 HA THR 94 -17.293 3.549 14.976 768 HB THR 94 HB THR 94 -18.782 1.646 14.929 769 HG1 THR 94 1HG THR 94 -17.779 2.143 16.948 770 HG21 THR 94 3HG2 THR 94 -17.931 -0.656 14.825 771 HG22 THR 94 1HG2 THR 94 -16.303 -0.036 14.551 772 HG23 THR 94 2HG2 THR 94 -17.563 0.239 13.350 773 H ASN 95 H ASN 95 -15.771 3.363 16.672 774 HA ASN 95 HA ASN 95 -13.066 2.994 15.756 775 HB2 ASN 95 2HB ASN 95 -14.132 3.710 18.496 776 HB3 ASN 95 1HB ASN 95 -12.439 3.770 18.015 777 HD21 ASN 95 1HD2 ASN 95 -11.747 5.374 16.598 778 HD22 ASN 95 2HD2 ASN 95 -12.685 6.792 16.293
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