NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555016 | 2m1l | 18869 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 58 1H SER 58 -15.931 20.653 5.681 2 H2 SER 58 2H SER 58 -14.745 21.088 4.567 3 H3 SER 58 3H SER 58 -14.297 20.519 6.087 4 HA SER 58 HA SER 58 -15.230 18.362 5.603 5 HB2 SER 58 2HB SER 58 -16.999 19.176 4.041 6 HB3 SER 58 1HB SER 58 -15.770 19.554 2.841 7 HG SER 58 HG SER 58 -16.489 16.987 3.835 8 H HIS 59 H HIS 59 -14.148 16.776 3.918 9 HA HIS 59 HA HIS 59 -11.630 17.678 2.745 10 HB2 HIS 59 2HB HIS 59 -10.994 17.115 5.098 11 HB3 HIS 59 1HB HIS 59 -11.689 15.510 4.913 12 HD1 HIS 59 HD1 HIS 59 -10.057 13.741 4.267 13 HD2 HIS 59 HD2 HIS 59 -8.709 17.522 3.191 14 HE1 HIS 59 HE1 HIS 59 -7.735 13.402 3.373 15 HE2 HIS 59 HE2 HIS 59 -6.891 15.713 2.887 16 H MET 60 H MET 60 -10.932 16.277 1.105 17 HA MET 60 HA MET 60 -13.051 14.724 -0.114 18 HB2 MET 60 2HB MET 60 -10.245 15.401 -1.118 19 HB3 MET 60 1HB MET 60 -11.502 14.643 -2.084 20 HG2 MET 60 2HG MET 60 -12.868 16.652 -1.945 21 HG3 MET 60 1HG MET 60 -11.679 17.412 -0.882 22 HE1 MET 60 3HE MET 60 -12.750 18.811 -3.565 23 HE2 MET 60 1HE MET 60 -11.242 19.425 -4.234 24 HE3 MET 60 2HE MET 60 -11.546 19.544 -2.501 25 H ALA 61 H ALA 61 -12.644 13.223 1.952 26 HA ALA 61 HA ALA 61 -11.542 10.754 0.960 27 HB1 ALA 61 3HB ALA 61 -9.978 10.385 2.862 28 HB2 ALA 61 1HB ALA 61 -10.280 12.031 3.427 29 HB3 ALA 61 2HB ALA 61 -9.482 11.761 1.877 30 H MET 62 H MET 62 -13.928 10.534 1.174 31 HA MET 62 HA MET 62 -15.085 10.318 3.818 32 HB2 MET 62 2HB MET 62 -16.134 9.540 1.059 33 HB3 MET 62 1HB MET 62 -17.059 9.325 2.543 34 HG2 MET 62 2HG MET 62 -16.087 11.977 1.446 35 HG3 MET 62 1HG MET 62 -17.734 11.349 1.356 36 HE1 MET 62 3HE MET 62 -17.875 14.340 3.975 37 HE2 MET 62 1HE MET 62 -18.522 13.743 2.448 38 HE3 MET 62 2HE MET 62 -16.830 14.236 2.558 39 H LYS 63 H LYS 63 -15.432 8.529 5.000 40 HA LYS 63 HA LYS 63 -14.137 5.997 4.166 41 HB2 LYS 63 2HB LYS 63 -12.764 7.205 5.835 42 HB3 LYS 63 1HB LYS 63 -14.150 7.331 6.914 43 HG2 LYS 63 2HG LYS 63 -12.635 5.575 7.683 44 HG3 LYS 63 1HG LYS 63 -14.173 4.868 7.178 45 HD2 LYS 63 2HD LYS 63 -13.115 4.262 4.982 46 HD3 LYS 63 1HD LYS 63 -11.574 4.877 5.589 47 HE2 LYS 63 2HE LYS 63 -13.158 2.607 6.833 48 HE3 LYS 63 1HE LYS 63 -11.771 2.415 5.767 49 HZ1 LYS 63 3HZ LYS 63 -11.720 3.762 8.405 50 HZ2 LYS 63 1HZ LYS 63 -10.398 3.522 7.390 51 HZ3 LYS 63 2HZ LYS 63 -11.175 2.197 8.088 52 HA PRO 64 HA PRO 64 -18.316 4.546 5.475 53 HB2 PRO 64 2HB PRO 64 -18.559 2.909 3.139 54 HB3 PRO 64 1HB PRO 64 -19.312 4.490 3.397 55 HG2 PRO 64 2HG PRO 64 -17.336 3.927 1.483 56 HG3 PRO 64 1HG PRO 64 -17.833 5.546 2.012 57 HD2 PRO 64 2HD PRO 64 -15.478 3.902 2.907 58 HD3 PRO 64 1HD PRO 64 -15.604 5.657 2.630 59 HA PRO 65 HA PRO 65 -15.708 1.148 7.255 60 HB2 PRO 65 2HB PRO 65 -18.220 0.807 8.897 61 HB3 PRO 65 1HB PRO 65 -16.527 0.906 9.430 62 HG2 PRO 65 2HG PRO 65 -18.140 2.976 9.772 63 HG3 PRO 65 1HG PRO 65 -16.460 3.239 9.241 64 HD2 PRO 65 2HD PRO 65 -18.992 3.294 7.604 65 HD3 PRO 65 1HD PRO 65 -17.577 4.368 7.528 66 H GLY 66 H GLY 66 -19.235 0.646 6.696 67 HA2 GLY 66 2HA GLY 66 -18.928 -1.507 4.888 68 HA3 GLY 66 1HA GLY 66 -19.184 -2.161 6.500 69 H ALA 67 H ALA 67 -20.589 -0.193 3.947 70 HA ALA 67 HA ALA 67 -23.127 0.238 5.184 71 HB1 ALA 67 3HB ALA 67 -23.824 1.058 2.962 72 HB2 ALA 67 1HB ALA 67 -22.341 0.413 2.248 73 HB3 ALA 67 2HB ALA 67 -22.258 1.726 3.423 74 H GLN 68 H GLN 68 -22.655 -1.535 2.112 75 HA GLN 68 HA GLN 68 -24.465 -3.682 2.998 76 HB2 GLN 68 2HB GLN 68 -23.236 -3.093 0.267 77 HB3 GLN 68 1HB GLN 68 -24.210 -4.515 0.610 78 HG2 GLN 68 2HG GLN 68 -25.614 -2.957 -0.509 79 HG3 GLN 68 1HG GLN 68 -26.126 -2.969 1.180 80 HE21 GLN 68 1HE2 GLN 68 -25.782 -1.089 2.431 81 HE22 GLN 68 2HE2 GLN 68 -25.376 0.429 1.713 82 H GLY 69 H GLY 69 -23.697 -5.633 3.618 83 HA2 GLY 69 2HA GLY 69 -20.865 -6.027 3.998 84 HA3 GLY 69 1HA GLY 69 -22.157 -7.108 4.482 85 H SER 70 H SER 70 -20.231 -6.047 1.709 86 HA SER 70 HA SER 70 -20.166 -8.716 0.580 87 HB2 SER 70 2HB SER 70 -22.395 -7.742 -0.173 88 HB3 SER 70 1HB SER 70 -21.491 -6.525 -1.072 89 HG SER 70 HG SER 70 -20.606 -8.144 -2.323 90 H GLN 71 H GLN 71 -18.337 -6.594 1.532 91 HA GLN 71 HA GLN 71 -16.363 -6.744 -0.600 92 HB2 GLN 71 2HB GLN 71 -15.945 -4.302 -0.683 93 HB3 GLN 71 1HB GLN 71 -17.582 -4.674 -1.210 94 HG2 GLN 71 2HG GLN 71 -18.432 -4.011 1.027 95 HG3 GLN 71 1HG GLN 71 -16.793 -3.600 1.515 96 HE21 GLN 71 1HE2 GLN 71 -18.223 -2.914 -1.652 97 HE22 GLN 71 2HE2 GLN 71 -18.192 -1.202 -1.477 98 H SER 72 H SER 72 -16.282 -8.036 1.859 99 HA SER 72 HA SER 72 -15.692 -6.179 4.019 100 HB2 SER 72 2HB SER 72 -17.376 -8.039 4.272 101 HB3 SER 72 1HB SER 72 -16.055 -9.206 4.178 102 HG SER 72 HG SER 72 -16.153 -7.096 6.078 103 H THR 73 H THR 73 -14.062 -8.944 2.400 104 HA THR 73 HA THR 73 -11.678 -8.845 3.977 105 HB THR 73 HB THR 73 -12.166 -10.054 1.214 106 HG1 THR 73 HG1 THR 73 -12.185 -11.359 3.747 107 HG21 THR 73 3HG2 THR 73 -9.743 -9.838 1.696 108 HG22 THR 73 1HG2 THR 73 -10.248 -11.531 1.728 109 HG23 THR 73 2HG2 THR 73 -9.976 -10.662 3.239 110 H TYR 74 H TYR 74 -12.807 -7.325 1.027 111 HA TYR 74 HA TYR 74 -10.273 -6.187 0.258 112 HB2 TYR 74 2HB TYR 74 -12.040 -6.832 -1.392 113 HB3 TYR 74 1HB TYR 74 -13.082 -5.561 -0.754 114 HD1 TYR 74 HD1 TYR 74 -9.445 -5.682 -1.707 115 HD2 TYR 74 HD2 TYR 74 -13.234 -3.826 -2.335 116 HE1 TYR 74 HE1 TYR 74 -8.413 -4.080 -3.239 117 HE2 TYR 74 HE2 TYR 74 -12.191 -2.219 -3.864 118 HH TYR 74 HH TYR 74 -8.935 -2.573 -4.954 119 H THR 75 H THR 75 -12.852 -5.291 2.370 120 HA THR 75 HA THR 75 -12.368 -2.470 2.548 121 HB THR 75 HB THR 75 -13.760 -4.427 4.422 122 HG1 THR 75 HG1 THR 75 -14.493 -3.398 2.133 123 HG21 THR 75 3HG2 THR 75 -13.753 -1.394 4.568 124 HG22 THR 75 1HG2 THR 75 -12.983 -2.472 5.735 125 HG23 THR 75 2HG2 THR 75 -14.738 -2.469 5.559 126 H ASP 76 H ASP 76 -11.262 -5.364 4.269 127 HA ASP 76 HA ASP 76 -9.645 -4.277 6.262 128 HB2 ASP 76 2HB ASP 76 -10.147 -6.712 6.040 129 HB3 ASP 76 1HB ASP 76 -9.109 -6.797 4.624 130 H LEU 77 H LEU 77 -8.954 -4.838 2.821 131 HA LEU 77 HA LEU 77 -6.228 -4.130 2.827 132 HB2 LEU 77 2HB LEU 77 -7.260 -5.336 0.967 133 HB3 LEU 77 1HB LEU 77 -8.282 -3.959 0.585 134 HG LEU 77 HG LEU 77 -6.367 -2.666 -0.208 135 HD11 LEU 77 1HD1 LEU 77 -4.076 -3.536 -0.239 136 HD12 LEU 77 2HD1 LEU 77 -4.588 -4.951 0.685 137 HD13 LEU 77 3HD1 LEU 77 -4.675 -3.342 1.407 138 HD21 LEU 77 3HD2 LEU 77 -7.356 -4.238 -1.803 139 HD22 LEU 77 1HD2 LEU 77 -6.215 -5.488 -1.311 140 HD23 LEU 77 2HD2 LEU 77 -5.640 -4.020 -2.110 141 H LEU 78 H LEU 78 -9.166 -2.138 2.385 142 HA LEU 78 HA LEU 78 -7.964 0.324 1.765 143 HB2 LEU 78 2HB LEU 78 -10.428 -0.178 1.644 144 HB3 LEU 78 1HB LEU 78 -10.491 -0.135 3.396 145 HG LEU 78 HG LEU 78 -9.774 2.282 3.318 146 HD11 LEU 78 1HD1 LEU 78 -10.166 2.021 0.324 147 HD12 LEU 78 2HD1 LEU 78 -8.633 2.291 1.158 148 HD13 LEU 78 3HD1 LEU 78 -9.891 3.520 1.218 149 HD21 LEU 78 3HD2 LEU 78 -12.323 1.646 1.815 150 HD22 LEU 78 1HD2 LEU 78 -11.942 3.162 2.630 151 HD23 LEU 78 2HD2 LEU 78 -12.128 1.686 3.570 152 H SER 79 H SER 79 -8.625 -1.241 4.881 153 HA SER 79 HA SER 79 -7.719 0.800 6.604 154 HB2 SER 79 2HB SER 79 -7.662 -2.214 7.040 155 HB3 SER 79 1HB SER 79 -7.500 -0.987 8.299 156 HG SER 79 HG SER 79 -9.664 -0.309 7.116 157 H VAL 80 H VAL 80 -6.033 -2.065 5.248 158 HA VAL 80 HA VAL 80 -3.558 -1.799 6.458 159 HB VAL 80 HB VAL 80 -4.081 -2.941 3.661 160 HG11 VAL 80 1HG1 VAL 80 -1.990 -4.245 4.007 161 HG12 VAL 80 2HG1 VAL 80 -1.699 -3.381 5.518 162 HG13 VAL 80 3HG1 VAL 80 -1.678 -2.506 3.986 163 HG21 VAL 80 3HG2 VAL 80 -3.990 -4.355 6.356 164 HG22 VAL 80 1HG2 VAL 80 -4.202 -5.137 4.785 165 HG23 VAL 80 2HG2 VAL 80 -5.436 -4.041 5.402 166 H ILE 81 H ILE 81 -4.676 -0.360 3.388 167 HA ILE 81 HA ILE 81 -2.415 0.878 2.456 168 HB ILE 81 HB ILE 81 -5.181 2.174 2.432 169 HG12 ILE 81 2HG1 ILE 81 -5.379 -0.057 1.463 170 HG13 ILE 81 1HG1 ILE 81 -5.452 1.112 0.158 171 HG21 ILE 81 1HG2 ILE 81 -2.766 2.609 0.629 172 HG22 ILE 81 2HG2 ILE 81 -3.397 3.740 1.827 173 HG23 ILE 81 3HG2 ILE 81 -4.355 3.342 0.400 174 HD11 ILE 81 3HD1 ILE 81 -4.157 -0.799 -0.506 175 HD12 ILE 81 1HD1 ILE 81 -3.103 -0.633 0.897 176 HD13 ILE 81 2HD1 ILE 81 -3.086 0.595 -0.371 177 H GLU 82 H GLU 82 -4.766 2.257 4.728 178 HA GLU 82 HA GLU 82 -3.341 4.674 5.213 179 HB2 GLU 82 2HB GLU 82 -5.789 4.476 5.435 180 HB3 GLU 82 1HB GLU 82 -5.594 3.359 6.783 181 HG2 GLU 82 2HG GLU 82 -4.588 5.119 8.138 182 HG3 GLU 82 1HG GLU 82 -4.649 6.241 6.780 183 H GLU 83 H GLU 83 -3.333 1.503 6.715 184 HA GLU 83 HA GLU 83 -1.915 2.277 9.104 185 HB2 GLU 83 2HB GLU 83 -2.278 -0.509 7.929 186 HB3 GLU 83 1HB GLU 83 -1.706 -0.137 9.551 187 HG2 GLU 83 2HG GLU 83 -4.484 0.253 8.434 188 HG3 GLU 83 1HG GLU 83 -3.985 -0.800 9.748 189 H MET 84 H MET 84 -0.972 1.463 5.859 190 HA MET 84 HA MET 84 1.843 1.124 6.489 191 HB2 MET 84 2HB MET 84 0.444 1.670 3.820 192 HB3 MET 84 1HB MET 84 2.170 1.368 3.999 193 HG2 MET 84 2HG MET 84 1.659 -0.882 4.918 194 HG3 MET 84 1HG MET 84 -0.053 -0.575 4.654 195 HE1 MET 84 3HE MET 84 0.024 0.978 1.825 196 HE2 MET 84 1HE MET 84 -1.130 -0.321 2.138 197 HE3 MET 84 2HE MET 84 -0.138 -0.357 0.684 198 H GLY 85 H GLY 85 -0.386 3.684 5.580 199 HA2 GLY 85 2HA GLY 85 1.326 5.821 5.061 200 HA3 GLY 85 1HA GLY 85 -0.299 5.957 5.702 201 H LYS 86 H LYS 86 0.424 4.426 8.150 202 HA LYS 86 HA LYS 86 1.257 6.759 9.689 203 HB2 LYS 86 2HB LYS 86 0.392 5.645 11.595 204 HB3 LYS 86 1HB LYS 86 -0.716 5.252 10.289 205 HG2 LYS 86 2HG LYS 86 0.698 3.063 10.063 206 HG3 LYS 86 1HG LYS 86 1.285 3.466 11.673 207 HD2 LYS 86 2HD LYS 86 -1.585 2.923 10.846 208 HD3 LYS 86 1HD LYS 86 -0.560 1.906 11.853 209 HE2 LYS 86 2HE LYS 86 -0.638 3.496 13.665 210 HE3 LYS 86 1HE LYS 86 -1.439 4.699 12.647 211 HZ1 LYS 86 3HZ LYS 86 -2.606 2.064 13.390 212 HZ2 LYS 86 1HZ LYS 86 -3.368 3.274 12.492 213 HZ3 LYS 86 2HZ LYS 86 -3.000 3.534 14.121 214 H GLU 87 H GLU 87 2.593 3.762 8.554 215 HA GLU 87 HA GLU 87 4.767 3.586 10.435 216 HB2 GLU 87 2HB GLU 87 4.367 2.170 7.767 217 HB3 GLU 87 1HB GLU 87 5.603 1.773 8.956 218 HG2 GLU 87 2HG GLU 87 2.614 1.465 9.267 219 HG3 GLU 87 1HG GLU 87 3.800 0.174 9.092 220 H ILE 88 H ILE 88 4.207 5.349 7.529 221 HA ILE 88 HA ILE 88 6.728 5.353 6.280 222 HB ILE 88 HB ILE 88 4.571 7.517 6.251 223 HG12 ILE 88 2HG1 ILE 88 5.106 5.242 4.290 224 HG13 ILE 88 1HG1 ILE 88 3.806 5.280 5.475 225 HG21 ILE 88 1HG2 ILE 88 6.696 8.481 5.476 226 HG22 ILE 88 2HG2 ILE 88 5.582 8.298 4.122 227 HG23 ILE 88 3HG2 ILE 88 6.907 7.153 4.333 228 HD11 ILE 88 3HD1 ILE 88 2.950 5.835 3.329 229 HD12 ILE 88 1HD1 ILE 88 4.136 7.121 3.122 230 HD13 ILE 88 2HD1 ILE 88 2.879 7.261 4.355 231 H ARG 89 H ARG 89 5.369 7.531 8.763 232 HA ARG 89 HA ARG 89 7.431 9.464 8.615 233 HB2 ARG 89 2HB ARG 89 5.476 9.010 10.907 234 HB3 ARG 89 1HB ARG 89 6.468 10.444 10.654 235 HG2 ARG 89 2HG ARG 89 5.281 10.857 8.503 236 HG3 ARG 89 1HG ARG 89 4.233 9.475 8.844 237 HD2 ARG 89 2HD ARG 89 3.149 11.600 9.454 238 HD3 ARG 89 1HD ARG 89 3.416 10.591 10.882 239 HE ARG 89 HE ARG 89 5.461 12.584 10.267 240 HH11 ARG 89 1HH1 ARG 89 2.638 11.802 12.242 241 HH12 ARG 89 2HH1 ARG 89 2.992 13.021 13.427 242 HH21 ARG 89 1HH2 ARG 89 5.913 14.155 11.822 243 HH22 ARG 89 2HH2 ARG 89 4.851 14.353 13.185 244 HA PRO 90 HA PRO 90 9.435 7.335 12.552 245 HB2 PRO 90 2HB PRO 90 8.729 4.688 13.075 246 HB3 PRO 90 1HB PRO 90 8.019 6.093 13.893 247 HG2 PRO 90 2HG PRO 90 6.925 4.516 11.590 248 HG3 PRO 90 1HG PRO 90 6.086 5.144 13.028 249 HD2 PRO 90 2HD PRO 90 5.917 6.402 10.654 250 HD3 PRO 90 1HD PRO 90 5.961 7.312 12.182 251 H THR 91 H THR 91 8.591 5.201 9.775 252 HA THR 91 HA THR 91 10.991 3.780 9.464 253 HB THR 91 HB THR 91 9.031 4.832 7.378 254 HG1 THR 91 HG1 THR 91 7.971 3.119 7.961 255 HG21 THR 91 3HG2 THR 91 9.997 3.180 5.784 256 HG22 THR 91 1HG2 THR 91 11.286 2.836 6.933 257 HG23 THR 91 2HG2 THR 91 11.166 4.438 6.200 258 H TYR 92 H TYR 92 10.049 6.875 8.045 259 HA TYR 92 HA TYR 92 12.459 7.558 6.803 260 HB2 TYR 92 2HB TYR 92 10.317 8.642 6.239 261 HB3 TYR 92 1HB TYR 92 10.207 9.335 7.857 262 HD1 TYR 92 HD2 TYR 92 12.628 9.225 4.984 263 HD2 TYR 92 HD1 TYR 92 10.867 11.585 8.071 264 HE1 TYR 92 HE2 TYR 92 13.928 11.147 4.242 265 HE2 TYR 92 HE1 TYR 92 12.173 13.526 7.330 266 HH TYR 92 HH TYR 92 14.253 13.954 6.114 267 H ALA 93 H ALA 93 11.350 7.907 10.136 268 HA ALA 93 HA ALA 93 13.499 9.669 10.964 269 HB1 ALA 93 3HB ALA 93 11.407 8.199 12.599 270 HB2 ALA 93 1HB ALA 93 11.256 9.835 11.958 271 HB3 ALA 93 2HB ALA 93 12.471 9.481 13.188 272 H GLY 94 H GLY 94 13.713 6.576 10.046 273 HA2 GLY 94 2HA GLY 94 15.648 5.311 10.183 274 HA3 GLY 94 1HA GLY 94 16.125 6.166 11.636 275 H SER 95 H SER 95 12.949 5.109 12.007 276 HA SER 95 HA SER 95 13.679 3.067 13.893 277 HB2 SER 95 2HB SER 95 10.915 3.839 12.872 278 HB3 SER 95 1HB SER 95 11.269 2.900 14.326 279 HG SER 95 HG SER 95 12.677 5.113 14.512 280 H LYS 96 H LYS 96 14.518 1.223 13.039 281 HA LYS 96 HA LYS 96 13.783 0.020 10.588 282 HB2 LYS 96 2HB LYS 96 15.164 -1.911 11.312 283 HB3 LYS 96 1HB LYS 96 15.978 -0.369 11.511 284 HG2 LYS 96 2HG LYS 96 15.511 -0.428 13.941 285 HG3 LYS 96 1HG LYS 96 14.710 -1.991 13.740 286 HD2 LYS 96 2HD LYS 96 16.845 -2.960 12.888 287 HD3 LYS 96 1HD LYS 96 17.638 -1.400 13.128 288 HE2 LYS 96 2HE LYS 96 18.201 -2.850 14.976 289 HE3 LYS 96 1HE LYS 96 17.132 -1.584 15.581 290 HZ1 LYS 96 3HZ LYS 96 16.277 -4.339 14.861 291 HZ2 LYS 96 1HZ LYS 96 15.303 -3.136 15.536 292 HZ3 LYS 96 2HZ LYS 96 16.572 -3.794 16.429 293 H SER 97 H SER 97 12.531 -0.453 13.829 294 HA SER 97 HA SER 97 11.094 -2.852 13.380 295 HB2 SER 97 2HB SER 97 10.396 -0.596 15.313 296 HB3 SER 97 1HB SER 97 9.817 -2.262 15.399 297 HG SER 97 HG SER 97 11.571 -1.948 16.790 298 H ALA 98 H ALA 98 10.094 0.565 13.178 299 HA ALA 98 HA ALA 98 7.442 0.168 12.266 300 HB1 ALA 98 3HB ALA 98 9.265 2.572 11.923 301 HB2 ALA 98 1HB ALA 98 8.215 2.250 13.302 302 HB3 ALA 98 2HB ALA 98 7.509 2.560 11.716 303 H MET 99 H MET 99 10.525 0.601 10.598 304 HA MET 99 HA MET 99 9.600 0.787 7.942 305 HB2 MET 99 2HB MET 99 11.833 1.499 8.582 306 HB3 MET 99 1HB MET 99 12.266 -0.121 9.101 307 HG2 MET 99 2HG MET 99 11.561 0.499 6.225 308 HG3 MET 99 1HG MET 99 13.194 0.695 6.853 309 HE1 MET 99 3HE MET 99 14.590 -1.335 7.920 310 HE2 MET 99 1HE MET 99 14.038 -3.010 7.905 311 HE3 MET 99 2HE MET 99 13.245 -1.832 8.949 312 H GLU 100 H GLU 100 10.435 -1.973 9.995 313 HA GLU 100 HA GLU 100 10.147 -3.976 7.988 314 HB2 GLU 100 2HB GLU 100 11.430 -4.363 10.081 315 HB3 GLU 100 1HB GLU 100 9.952 -4.220 11.029 316 HG2 GLU 100 2HG GLU 100 10.673 -6.581 10.695 317 HG3 GLU 100 1HG GLU 100 9.063 -6.260 10.048 318 H ARG 101 H ARG 101 7.965 -2.458 10.314 319 HA ARG 101 HA ARG 101 5.652 -4.072 9.809 320 HB2 ARG 101 2HB ARG 101 6.010 -1.299 11.003 321 HB3 ARG 101 1HB ARG 101 4.435 -2.076 10.874 322 HG2 ARG 101 2HG ARG 101 5.042 -3.799 12.415 323 HG3 ARG 101 1HG ARG 101 6.752 -3.352 12.347 324 HD2 ARG 101 2HD ARG 101 5.553 -2.604 14.436 325 HD3 ARG 101 1HD ARG 101 6.356 -1.312 13.550 326 HE ARG 101 HE ARG 101 4.229 -0.565 12.756 327 HH11 ARG 101 1HH1 ARG 101 3.999 -2.953 15.336 328 HH12 ARG 101 2HH1 ARG 101 2.384 -2.490 15.773 329 HH21 ARG 101 1HH2 ARG 101 2.168 0.062 13.350 330 HH22 ARG 101 2HH2 ARG 101 1.346 -0.770 14.638 331 H LEU 102 H LEU 102 7.041 -1.226 8.315 332 HA LEU 102 HA LEU 102 4.799 -0.495 6.711 333 HB2 LEU 102 2HB LEU 102 6.625 1.065 7.298 334 HB3 LEU 102 1HB LEU 102 7.765 0.108 6.370 335 HG LEU 102 HG LEU 102 6.733 0.765 4.275 336 HD11 LEU 102 1HD1 LEU 102 4.588 2.182 5.873 337 HD12 LEU 102 2HD1 LEU 102 4.376 0.734 4.884 338 HD13 LEU 102 3HD1 LEU 102 4.799 2.264 4.122 339 HD21 LEU 102 3HD2 LEU 102 7.040 3.165 6.094 340 HD22 LEU 102 1HD2 LEU 102 7.075 3.192 4.331 341 HD23 LEU 102 2HD2 LEU 102 8.331 2.336 5.217 342 H LYS 103 H LYS 103 7.782 -2.384 6.096 343 HA LYS 103 HA LYS 103 7.206 -3.107 3.419 344 HB2 LYS 103 2HB LYS 103 8.920 -4.581 5.466 345 HB3 LYS 103 1HB LYS 103 8.898 -4.922 3.736 346 HG2 LYS 103 2HG LYS 103 9.656 -2.543 3.349 347 HG3 LYS 103 1HG LYS 103 9.866 -2.389 5.089 348 HD2 LYS 103 2HD LYS 103 11.323 -4.361 3.291 349 HD3 LYS 103 1HD LYS 103 11.993 -2.860 3.925 350 HE2 LYS 103 2HE LYS 103 12.874 -4.557 5.310 351 HE3 LYS 103 1HE LYS 103 11.575 -3.843 6.266 352 HZ1 LYS 103 3HZ LYS 103 10.180 -5.712 5.782 353 HZ2 LYS 103 1HZ LYS 103 11.671 -6.307 6.300 354 HZ3 LYS 103 2HZ LYS 103 11.278 -6.330 4.660 355 H ARG 104 H ARG 104 6.560 -4.755 6.504 356 HA ARG 104 HA ARG 104 5.275 -7.040 5.369 357 HB2 ARG 104 2HB ARG 104 5.771 -5.979 8.126 358 HB3 ARG 104 1HB ARG 104 4.350 -7.002 7.980 359 HG2 ARG 104 2HG ARG 104 5.674 -8.866 7.179 360 HG3 ARG 104 1HG ARG 104 7.119 -7.864 7.047 361 HD2 ARG 104 2HD ARG 104 7.414 -7.774 9.394 362 HD3 ARG 104 1HD ARG 104 5.750 -8.249 9.720 363 HE ARG 104 HE ARG 104 6.361 -10.432 9.615 364 HH11 ARG 104 1HH1 ARG 104 8.982 -8.608 8.147 365 HH12 ARG 104 2HH1 ARG 104 10.016 -9.996 8.007 366 HH21 ARG 104 1HH2 ARG 104 7.715 -12.251 9.345 367 HH22 ARG 104 2HH2 ARG 104 9.305 -12.034 8.678 368 H GLY 105 H GLY 105 4.226 -3.818 6.071 369 HA2 GLY 105 2HA GLY 105 1.401 -4.215 5.919 370 HA3 GLY 105 1HA GLY 105 2.273 -2.718 5.605 371 H ILE 106 H ILE 106 3.933 -3.463 3.533 372 HA ILE 106 HA ILE 106 2.239 -3.454 1.252 373 HB ILE 106 HB ILE 106 5.214 -3.495 1.701 374 HG12 ILE 106 2HG1 ILE 106 5.085 -1.570 0.022 375 HG13 ILE 106 1HG1 ILE 106 3.343 -1.756 0.036 376 HG21 ILE 106 1HG2 ILE 106 4.084 -4.201 -1.029 377 HG22 ILE 106 2HG2 ILE 106 5.078 -5.241 -0.006 378 HG23 ILE 106 3HG2 ILE 106 5.765 -3.771 -0.698 379 HD11 ILE 106 3HD1 ILE 106 4.038 0.087 1.418 380 HD12 ILE 106 1HD1 ILE 106 5.090 -0.970 2.355 381 HD13 ILE 106 2HD1 ILE 106 3.345 -1.179 2.431 382 H ILE 107 H ILE 107 4.067 -6.032 2.872 383 HA ILE 107 HA ILE 107 3.612 -8.108 0.996 384 HB ILE 107 HB ILE 107 4.526 -7.969 3.865 385 HG12 ILE 107 2HG1 ILE 107 6.434 -9.322 3.001 386 HG13 ILE 107 1HG1 ILE 107 5.629 -9.469 1.447 387 HG21 ILE 107 1HG2 ILE 107 4.542 -10.425 4.173 388 HG22 ILE 107 2HG2 ILE 107 3.629 -10.612 2.675 389 HG23 ILE 107 3HG2 ILE 107 2.896 -9.792 4.052 390 HD11 ILE 107 3HD1 ILE 107 7.432 -7.867 1.349 391 HD12 ILE 107 1HD1 ILE 107 6.716 -6.929 2.659 392 HD13 ILE 107 2HD1 ILE 107 5.891 -7.047 1.104 393 H HIS 108 H HIS 108 1.799 -7.008 3.829 394 HA HIS 108 HA HIS 108 -0.324 -8.894 3.750 395 HB2 HIS 108 2HB HIS 108 0.238 -7.407 5.707 396 HB3 HIS 108 1HB HIS 108 -0.396 -6.030 4.818 397 HD1 HIS 108 HD1 HIS 108 -1.649 -6.434 7.415 398 HD2 HIS 108 HD2 HIS 108 -3.031 -8.510 4.103 399 HE1 HIS 108 HE1 HIS 108 -4.002 -7.082 7.961 400 HE2 HIS 108 HE2 HIS 108 -4.884 -8.079 5.847 401 H ALA 109 H ALA 109 0.081 -5.652 2.336 402 HA ALA 109 HA ALA 109 -2.587 -5.349 1.411 403 HB1 ALA 109 3HB ALA 109 -1.130 -3.431 1.885 404 HB2 ALA 109 1HB ALA 109 -1.743 -3.370 0.232 405 HB3 ALA 109 2HB ALA 109 -0.079 -3.878 0.540 406 H ARG 110 H ARG 110 0.423 -6.353 -0.210 407 HA ARG 110 HA ARG 110 -0.614 -6.410 -2.871 408 HB2 ARG 110 2HB ARG 110 1.809 -6.174 -2.335 409 HB3 ARG 110 1HB ARG 110 1.845 -7.825 -1.725 410 HG2 ARG 110 2HG ARG 110 1.382 -8.706 -3.954 411 HG3 ARG 110 1HG ARG 110 1.155 -7.073 -4.590 412 HD2 ARG 110 2HD ARG 110 3.543 -6.571 -4.050 413 HD3 ARG 110 1HD ARG 110 3.739 -8.237 -3.506 414 HE ARG 110 HE ARG 110 3.854 -8.929 -5.676 415 HH11 ARG 110 1HH1 ARG 110 2.628 -5.629 -5.685 416 HH12 ARG 110 2HH1 ARG 110 2.758 -5.456 -7.403 417 HH21 ARG 110 1HH2 ARG 110 4.012 -8.684 -7.934 418 HH22 ARG 110 2HH2 ARG 110 3.543 -7.190 -8.679 419 H ALA 111 H ALA 111 -0.418 -8.708 -0.239 420 HA ALA 111 HA ALA 111 -1.131 -11.070 -1.619 421 HB1 ALA 111 3HB ALA 111 -0.209 -11.129 0.656 422 HB2 ALA 111 1HB ALA 111 -1.772 -11.947 0.592 423 HB3 ALA 111 2HB ALA 111 -1.650 -10.324 1.280 424 H LEU 112 H LEU 112 -2.994 -8.606 0.106 425 HA LEU 112 HA LEU 112 -5.565 -9.774 -0.209 426 HB2 LEU 112 2HB LEU 112 -4.782 -6.886 0.319 427 HB3 LEU 112 1HB LEU 112 -6.439 -7.472 0.380 428 HG LEU 112 HG LEU 112 -4.173 -8.390 2.195 429 HD11 LEU 112 1HD1 LEU 112 -4.907 -6.113 2.690 430 HD12 LEU 112 2HD1 LEU 112 -5.367 -7.223 3.978 431 HD13 LEU 112 3HD1 LEU 112 -6.581 -6.660 2.824 432 HD21 LEU 112 3HD2 LEU 112 -5.886 -9.628 3.449 433 HD22 LEU 112 1HD2 LEU 112 -5.746 -10.225 1.796 434 HD23 LEU 112 2HD2 LEU 112 -7.104 -9.189 2.248 435 H VAL 113 H VAL 113 -3.738 -7.548 -2.268 436 HA VAL 113 HA VAL 113 -5.855 -6.914 -4.062 437 HB VAL 113 HB VAL 113 -2.875 -6.939 -4.760 438 HG11 VAL 113 1HG1 VAL 113 -5.228 -5.459 -6.005 439 HG12 VAL 113 2HG1 VAL 113 -4.320 -6.789 -6.730 440 HG13 VAL 113 3HG1 VAL 113 -3.539 -5.233 -6.454 441 HG21 VAL 113 3HG2 VAL 113 -4.511 -4.661 -3.585 442 HG22 VAL 113 1HG2 VAL 113 -2.839 -4.542 -4.146 443 HG23 VAL 113 2HG2 VAL 113 -3.239 -5.554 -2.761 444 H ARG 114 H ARG 114 -3.271 -9.425 -4.166 445 HA ARG 114 HA ARG 114 -4.158 -10.485 -6.688 446 HB2 ARG 114 2HB ARG 114 -2.465 -12.196 -6.451 447 HB3 ARG 114 1HB ARG 114 -1.791 -10.645 -5.965 448 HG2 ARG 114 2HG ARG 114 -2.112 -11.266 -3.588 449 HG3 ARG 114 1HG ARG 114 -2.726 -12.838 -4.094 450 HD2 ARG 114 2HD ARG 114 -0.556 -13.397 -5.082 451 HD3 ARG 114 1HD ARG 114 0.063 -11.787 -4.683 452 HE ARG 114 HE ARG 114 -0.923 -13.152 -2.386 453 HH11 ARG 114 1HH1 ARG 114 1.889 -12.970 -4.492 454 HH12 ARG 114 2HH1 ARG 114 2.975 -13.550 -3.273 455 HH21 ARG 114 1HH2 ARG 114 0.505 -13.915 -0.824 456 HH22 ARG 114 2HH2 ARG 114 2.191 -14.080 -1.205 457 H GLU 115 H GLU 115 -5.033 -11.104 -3.395 458 HA GLU 115 HA GLU 115 -6.362 -13.598 -3.702 459 HB2 GLU 115 2HB GLU 115 -6.908 -11.297 -1.775 460 HB3 GLU 115 1HB GLU 115 -7.724 -12.854 -1.685 461 HG2 GLU 115 2HG GLU 115 -4.794 -12.294 -1.263 462 HG3 GLU 115 1HG GLU 115 -5.962 -12.826 -0.065 463 H CYS 116 H CYS 116 -7.371 -10.231 -4.050 464 HA CYS 116 HA CYS 116 -10.069 -10.879 -4.803 465 HB2 CYS 116 2HB CYS 116 -8.511 -8.281 -5.030 466 HB3 CYS 116 1HB CYS 116 -10.234 -8.448 -5.375 467 HG CYS 116 HG CYS 116 -8.638 -8.634 -2.382 468 H LEU 117 H LEU 117 -6.998 -10.224 -6.518 469 HA LEU 117 HA LEU 117 -7.942 -9.854 -9.135 470 HB2 LEU 117 2HB LEU 117 -5.324 -10.982 -8.082 471 HB3 LEU 117 1HB LEU 117 -5.625 -10.919 -9.811 472 HG LEU 117 HG LEU 117 -5.684 -8.466 -8.003 473 HD11 LEU 117 1HD1 LEU 117 -3.458 -9.406 -9.838 474 HD12 LEU 117 2HD1 LEU 117 -3.429 -9.416 -8.072 475 HD13 LEU 117 3HD1 LEU 117 -3.504 -7.886 -8.939 476 HD21 LEU 117 3HD2 LEU 117 -5.618 -7.193 -10.092 477 HD22 LEU 117 1HD2 LEU 117 -7.042 -8.229 -10.034 478 HD23 LEU 117 2HD2 LEU 117 -5.660 -8.687 -11.031 479 H ALA 118 H ALA 118 -7.467 -12.832 -7.329 480 HA ALA 118 HA ALA 118 -7.934 -14.806 -9.179 481 HB1 ALA 118 3HB ALA 118 -9.073 -14.658 -6.371 482 HB2 ALA 118 1HB ALA 118 -7.455 -15.217 -6.792 483 HB3 ALA 118 2HB ALA 118 -8.870 -16.132 -7.325 484 H GLU 119 H GLU 119 -10.421 -12.931 -7.428 485 HA GLU 119 HA GLU 119 -12.568 -14.006 -9.122 486 HB2 GLU 119 2HB GLU 119 -14.143 -12.941 -7.638 487 HB3 GLU 119 1HB GLU 119 -12.936 -13.782 -6.679 488 HG2 GLU 119 2HG GLU 119 -12.945 -11.872 -5.444 489 HG3 GLU 119 1HG GLU 119 -11.842 -11.294 -6.683 490 H THR 120 H THR 120 -10.475 -11.289 -9.121 491 HA THR 120 HA THR 120 -12.364 -9.439 -10.320 492 HB THR 120 HB THR 120 -9.376 -8.980 -9.833 493 HG1 THR 120 HG1 THR 120 -11.349 -9.241 -8.066 494 HG21 THR 120 3HG2 THR 120 -11.650 -6.995 -10.239 495 HG22 THR 120 1HG2 THR 120 -10.384 -7.354 -11.416 496 HG23 THR 120 2HG2 THR 120 -9.970 -6.590 -9.882 497 H GLU 121 H GLU 121 -9.925 -11.693 -11.429 498 HA GLU 121 HA GLU 121 -9.846 -10.734 -14.142 499 HB2 GLU 121 2HB GLU 121 -8.793 -12.929 -14.687 500 HB3 GLU 121 1HB GLU 121 -8.007 -12.070 -13.376 501 HG2 GLU 121 2HG GLU 121 -7.965 -14.297 -12.692 502 HG3 GLU 121 1HG GLU 121 -9.291 -13.592 -11.778 503 H ARG 122 H ARG 122 -11.988 -12.739 -12.290 504 HA ARG 122 HA ARG 122 -13.524 -13.864 -14.414 505 HB2 ARG 122 2HB ARG 122 -13.509 -14.630 -12.007 506 HB3 ARG 122 1HB ARG 122 -14.432 -13.195 -11.575 507 HG2 ARG 122 2HG ARG 122 -16.294 -13.977 -13.020 508 HG3 ARG 122 1HG ARG 122 -15.351 -15.410 -13.442 509 HD2 ARG 122 2HD ARG 122 -16.354 -14.665 -10.676 510 HD3 ARG 122 1HD ARG 122 -16.976 -15.957 -11.707 511 HE ARG 122 HE ARG 122 -14.261 -16.435 -11.331 512 HH11 ARG 122 1HH1 ARG 122 -17.142 -16.386 -9.263 513 HH12 ARG 122 2HH1 ARG 122 -16.477 -17.544 -8.148 514 HH21 ARG 122 1HH2 ARG 122 -13.467 -17.981 -9.904 515 HH22 ARG 122 2HH2 ARG 122 -14.405 -18.443 -8.512 516 H ASN 123 H ASN 123 -13.733 -10.903 -12.505 517 HA ASN 123 HA ASN 123 -15.808 -9.620 -14.063 518 HB2 ASN 123 2HB ASN 123 -15.409 -9.004 -11.710 519 HB3 ASN 123 1HB ASN 123 -13.739 -8.577 -12.060 520 HD21 ASN 123 1HD2 ASN 123 -13.945 -6.487 -11.319 521 HD22 ASN 123 2HD2 ASN 123 -14.876 -5.276 -12.127 522 H ALA 124 H ALA 124 -15.397 -7.814 -15.561 523 HA ALA 124 HA ALA 124 -12.709 -7.216 -16.481 524 HB1 ALA 124 3HB ALA 124 -13.170 -9.302 -17.735 525 HB2 ALA 124 1HB ALA 124 -13.017 -7.910 -18.807 526 HB3 ALA 124 2HB ALA 124 -14.614 -8.563 -18.431 527 H ARG 125 H ARG 125 -13.471 -5.187 -15.701 528 HA ARG 125 HA ARG 125 -15.260 -3.692 -17.498 529 HB2 ARG 125 2HB ARG 125 -14.103 -2.900 -14.782 530 HB3 ARG 125 1HB ARG 125 -15.203 -1.919 -15.742 531 HG2 ARG 125 2HG ARG 125 -15.884 -4.644 -14.595 532 HG3 ARG 125 1HG ARG 125 -16.298 -3.108 -13.836 533 HD2 ARG 125 2HD ARG 125 -18.252 -3.923 -14.970 534 HD3 ARG 125 1HD ARG 125 -17.650 -2.540 -15.886 535 HE ARG 125 HE ARG 125 -16.817 -5.199 -16.768 536 HH11 ARG 125 1HH1 ARG 125 -19.073 -2.530 -17.291 537 HH12 ARG 125 2HH1 ARG 125 -19.459 -3.024 -18.909 538 HH21 ARG 125 1HH2 ARG 125 -17.270 -5.780 -18.907 539 HH22 ARG 125 2HH2 ARG 125 -18.431 -4.872 -19.826 540 H THR 126 H THR 126 -12.211 -2.941 -15.736 541 HA THR 126 HA THR 126 -10.966 -2.039 -18.261 542 HB THR 126 HB THR 126 -10.837 -0.466 -15.637 543 HG1 THR 126 HG1 THR 126 -12.837 -0.138 -16.560 544 HG21 THR 126 3HG2 THR 126 -9.661 1.266 -16.965 545 HG22 THR 126 1HG2 THR 126 -9.721 0.226 -18.388 546 HG23 THR 126 2HG2 THR 126 -8.758 -0.253 -16.986 547 H1 SER 58 1H SER 58 -7.736 -15.518 4.871 548 H2 SER 58 2H SER 58 -7.280 -14.700 6.273 549 H3 SER 58 3H SER 58 -7.079 -16.368 6.162 550 HA SER 58 HA SER 58 -5.709 -14.393 4.464 551 HB2 SER 58 2HB SER 58 -4.963 -14.229 6.826 552 HB3 SER 58 1HB SER 58 -4.632 -15.962 6.848 553 HG SER 58 HG SER 58 -3.270 -13.892 5.505 554 H HIS 59 H HIS 59 -3.891 -15.342 3.316 555 HA HIS 59 HA HIS 59 -3.810 -18.221 2.871 556 HB2 HIS 59 2HB HIS 59 -5.563 -17.708 1.311 557 HB3 HIS 59 1HB HIS 59 -4.793 -16.216 0.797 558 HD1 HIS 59 HD1 HIS 59 -4.575 -16.653 -1.619 559 HD2 HIS 59 HD2 HIS 59 -3.081 -19.814 0.590 560 HE1 HIS 59 HE1 HIS 59 -3.528 -18.165 -3.287 561 HE2 HIS 59 HE2 HIS 59 -2.822 -20.174 -1.950 562 H MET 60 H MET 60 -1.679 -18.389 3.290 563 HA MET 60 HA MET 60 0.285 -16.532 2.241 564 HB2 MET 60 2HB MET 60 0.545 -19.124 3.819 565 HB3 MET 60 1HB MET 60 1.937 -18.221 3.233 566 HG2 MET 60 2HG MET 60 1.165 -16.251 4.550 567 HG3 MET 60 1HG MET 60 -0.141 -17.247 5.200 568 HE1 MET 60 3HE MET 60 0.798 -16.508 7.666 569 HE2 MET 60 1HE MET 60 2.146 -15.635 6.931 570 HE3 MET 60 2HE MET 60 2.449 -16.829 8.192 571 H ALA 61 H ALA 61 0.248 -16.586 0.064 572 HA ALA 61 HA ALA 61 0.055 -19.018 -1.483 573 HB1 ALA 61 3HB ALA 61 -1.065 -16.939 -2.201 574 HB2 ALA 61 1HB ALA 61 0.072 -17.514 -3.425 575 HB3 ALA 61 2HB ALA 61 0.502 -16.152 -2.389 576 H MET 62 H MET 62 2.048 -19.870 -0.386 577 HA MET 62 HA MET 62 4.653 -19.056 -1.327 578 HB2 MET 62 2HB MET 62 3.673 -21.624 0.002 579 HB3 MET 62 1HB MET 62 5.361 -21.313 -0.393 580 HG2 MET 62 2HG MET 62 3.678 -19.659 1.504 581 HG3 MET 62 1HG MET 62 4.884 -20.860 1.965 582 HE1 MET 62 3HE MET 62 8.212 -19.179 0.673 583 HE2 MET 62 1HE MET 62 7.216 -20.344 -0.196 584 HE3 MET 62 2HE MET 62 7.531 -20.561 1.528 585 H LYS 63 H LYS 63 2.143 -21.217 -2.367 586 HA LYS 63 HA LYS 63 3.529 -21.635 -4.950 587 HB2 LYS 63 2HB LYS 63 2.981 -23.764 -3.760 588 HB3 LYS 63 1HB LYS 63 1.297 -23.270 -3.646 589 HG2 LYS 63 2HG LYS 63 1.249 -23.256 -6.209 590 HG3 LYS 63 1HG LYS 63 2.842 -24.018 -6.150 591 HD2 LYS 63 2HD LYS 63 1.133 -25.745 -6.425 592 HD3 LYS 63 1HD LYS 63 1.865 -25.906 -4.825 593 HE2 LYS 63 2HE LYS 63 -0.093 -24.586 -3.900 594 HE3 LYS 63 1HE LYS 63 -0.837 -24.685 -5.497 595 HZ1 LYS 63 3HZ LYS 63 -0.801 -27.102 -5.310 596 HZ2 LYS 63 1HZ LYS 63 -1.668 -26.406 -4.040 597 HZ3 LYS 63 2HZ LYS 63 -0.112 -26.998 -3.773 598 HA PRO 64 HA PRO 64 -0.075 -18.828 -5.723 599 HB2 PRO 64 2HB PRO 64 1.247 -16.631 -6.632 600 HB3 PRO 64 1HB PRO 64 1.120 -17.008 -4.906 601 HG2 PRO 64 2HG PRO 64 3.480 -17.145 -6.650 602 HG3 PRO 64 1HG PRO 64 3.395 -17.073 -4.880 603 HD2 PRO 64 2HD PRO 64 3.746 -19.432 -6.583 604 HD3 PRO 64 1HD PRO 64 3.845 -19.311 -4.813 605 HA PRO 65 HA PRO 65 0.079 -19.053 -10.331 606 HB2 PRO 65 2HB PRO 65 -2.226 -17.841 -10.949 607 HB3 PRO 65 1HB PRO 65 -2.264 -19.345 -10.006 608 HG2 PRO 65 2HG PRO 65 -2.588 -16.521 -9.055 609 HG3 PRO 65 1HG PRO 65 -3.484 -17.979 -8.576 610 HD2 PRO 65 2HD PRO 65 -1.310 -16.885 -7.167 611 HD3 PRO 65 1HD PRO 65 -1.936 -18.537 -6.978 612 H GLY 66 H GLY 66 1.376 -16.779 -8.705 613 HA2 GLY 66 2HA GLY 66 2.374 -14.750 -9.037 614 HA3 GLY 66 1HA GLY 66 1.787 -14.761 -10.700 615 H ALA 67 H ALA 67 -0.345 -14.098 -11.108 616 HA ALA 67 HA ALA 67 -2.181 -13.137 -9.153 617 HB1 ALA 67 3HB ALA 67 -2.149 -10.735 -9.802 618 HB2 ALA 67 1HB ALA 67 -0.713 -11.020 -10.788 619 HB3 ALA 67 2HB ALA 67 -0.636 -11.220 -9.038 620 H GLN 68 H GLN 68 -1.321 -12.010 -12.412 621 HA GLN 68 HA GLN 68 -2.242 -12.093 -14.441 622 HB2 GLN 68 2HB GLN 68 -1.666 -14.561 -14.011 623 HB3 GLN 68 1HB GLN 68 -3.377 -14.822 -13.686 624 HG2 GLN 68 2HG GLN 68 -3.939 -14.111 -15.976 625 HG3 GLN 68 1HG GLN 68 -2.239 -13.775 -16.301 626 HE21 GLN 68 1HE2 GLN 68 -0.795 -15.534 -16.528 627 HE22 GLN 68 2HE2 GLN 68 -1.358 -17.129 -16.885 628 H GLY 69 H GLY 69 -3.953 -11.121 -12.131 629 HA2 GLY 69 2HA GLY 69 -6.694 -11.391 -12.998 630 HA3 GLY 69 1HA GLY 69 -6.065 -10.297 -11.769 631 H SER 70 H SER 70 -6.677 -10.743 -15.172 632 HA SER 70 HA SER 70 -5.343 -8.412 -16.140 633 HB2 SER 70 2HB SER 70 -7.479 -10.100 -17.519 634 HB3 SER 70 1HB SER 70 -6.363 -8.978 -18.303 635 HG SER 70 HG SER 70 -5.194 -10.909 -16.706 636 H GLN 71 H GLN 71 -6.287 -6.943 -14.560 637 HA GLN 71 HA GLN 71 -8.642 -5.549 -15.575 638 HB2 GLN 71 2HB GLN 71 -9.366 -7.202 -13.726 639 HB3 GLN 71 1HB GLN 71 -8.404 -6.237 -12.607 640 HG2 GLN 71 2HG GLN 71 -10.610 -5.466 -12.315 641 HG3 GLN 71 1HG GLN 71 -9.863 -4.238 -13.326 642 HE21 GLN 71 1HE2 GLN 71 -10.121 -5.614 -15.882 643 HE22 GLN 71 2HE2 GLN 71 -11.794 -5.656 -16.247 644 H SER 72 H SER 72 -7.041 -4.152 -16.305 645 HA SER 72 HA SER 72 -4.729 -3.296 -15.188 646 HB2 SER 72 2HB SER 72 -6.584 -1.674 -16.970 647 HB3 SER 72 1HB SER 72 -4.857 -1.374 -16.746 648 HG SER 72 HG SER 72 -4.662 -2.696 -18.354 649 H THR 73 H THR 73 -7.799 -1.431 -14.910 650 HA THR 73 HA THR 73 -6.830 0.669 -13.364 651 HB THR 73 HB THR 73 -9.104 0.612 -14.452 652 HG1 THR 73 HG1 THR 73 -8.982 1.418 -11.716 653 HG21 THR 73 3HG2 THR 73 -9.967 -1.521 -13.551 654 HG22 THR 73 1HG2 THR 73 -11.030 -0.174 -13.148 655 HG23 THR 73 2HG2 THR 73 -9.954 -0.842 -11.921 656 H TYR 74 H TYR 74 -7.956 -2.496 -12.305 657 HA TYR 74 HA TYR 74 -7.665 -1.894 -9.484 658 HB2 TYR 74 2HB TYR 74 -9.446 -3.434 -10.240 659 HB3 TYR 74 1HB TYR 74 -8.237 -4.532 -10.906 660 HD1 TYR 74 HD1 TYR 74 -9.260 -2.899 -7.715 661 HD2 TYR 74 HD2 TYR 74 -7.378 -6.255 -9.517 662 HE1 TYR 74 HE1 TYR 74 -9.003 -3.934 -5.532 663 HE2 TYR 74 HE2 TYR 74 -7.120 -7.307 -7.294 664 HH TYR 74 HH TYR 74 -8.720 -6.190 -4.553 665 H THR 75 H THR 75 -5.739 -3.272 -12.041 666 HA THR 75 HA THR 75 -3.795 -4.595 -10.371 667 HB THR 75 HB THR 75 -3.596 -3.868 -13.336 668 HG1 THR 75 HG1 THR 75 -5.297 -5.469 -12.245 669 HG21 THR 75 3HG2 THR 75 -1.390 -4.442 -12.378 670 HG22 THR 75 1HG2 THR 75 -1.954 -5.736 -13.436 671 HG23 THR 75 2HG2 THR 75 -2.059 -5.920 -11.684 672 H ASP 76 H ASP 76 -4.286 -1.360 -11.585 673 HA ASP 76 HA ASP 76 -1.782 -0.193 -11.170 674 HB2 ASP 76 2HB ASP 76 -4.578 0.935 -10.673 675 HB3 ASP 76 1HB ASP 76 -3.121 1.907 -10.471 676 H LEU 77 H LEU 77 -4.355 -1.065 -8.885 677 HA LEU 77 HA LEU 77 -3.223 -0.064 -6.517 678 HB2 LEU 77 2HB LEU 77 -5.556 -0.815 -6.684 679 HB3 LEU 77 1HB LEU 77 -5.034 -2.470 -6.945 680 HG LEU 77 HG LEU 77 -4.128 -2.551 -4.623 681 HD11 LEU 77 1HD1 LEU 77 -5.275 0.235 -4.312 682 HD12 LEU 77 2HD1 LEU 77 -3.565 -0.205 -4.292 683 HD13 LEU 77 3HD1 LEU 77 -4.633 -0.776 -3.014 684 HD21 LEU 77 3HD2 LEU 77 -6.396 -3.341 -5.052 685 HD22 LEU 77 1HD2 LEU 77 -7.039 -1.715 -4.796 686 HD23 LEU 77 2HD2 LEU 77 -6.293 -2.595 -3.460 687 H LEU 78 H LEU 78 -2.951 -3.323 -8.005 688 HA LEU 78 HA LEU 78 -1.254 -4.561 -6.159 689 HB2 LEU 78 2HB LEU 78 -2.390 -5.707 -8.089 690 HB3 LEU 78 1HB LEU 78 -1.258 -4.938 -9.184 691 HG LEU 78 HG LEU 78 0.608 -6.171 -7.864 692 HD11 LEU 78 1HD1 LEU 78 -1.755 -7.774 -6.839 693 HD12 LEU 78 2HD1 LEU 78 -0.666 -6.767 -5.880 694 HD13 LEU 78 3HD1 LEU 78 -0.051 -8.215 -6.671 695 HD21 LEU 78 3HD2 LEU 78 -1.341 -7.820 -9.504 696 HD22 LEU 78 1HD2 LEU 78 0.341 -8.237 -9.163 697 HD23 LEU 78 2HD2 LEU 78 -0.034 -6.814 -10.132 698 H SER 79 H SER 79 -0.524 -2.542 -8.945 699 HA SER 79 HA SER 79 2.278 -2.726 -8.970 700 HB2 SER 79 2HB SER 79 0.991 -1.962 -10.931 701 HB3 SER 79 1HB SER 79 0.479 -0.518 -10.055 702 HG SER 79 HG SER 79 3.206 -0.906 -10.070 703 H VAL 80 H VAL 80 0.067 -0.300 -7.550 704 HA VAL 80 HA VAL 80 2.015 1.545 -6.717 705 HB VAL 80 HB VAL 80 -0.829 1.092 -5.673 706 HG11 VAL 80 1HG1 VAL 80 0.463 2.203 -3.894 707 HG12 VAL 80 2HG1 VAL 80 -0.674 3.336 -4.622 708 HG13 VAL 80 3HG1 VAL 80 1.039 3.417 -5.041 709 HG21 VAL 80 3HG2 VAL 80 0.294 3.248 -7.502 710 HG22 VAL 80 1HG2 VAL 80 -1.393 3.057 -7.023 711 HG23 VAL 80 2HG2 VAL 80 -0.617 1.842 -8.038 712 H ILE 81 H ILE 81 0.503 -1.196 -4.997 713 HA ILE 81 HA ILE 81 1.617 -0.862 -2.479 714 HB ILE 81 HB ILE 81 1.119 -3.550 -3.841 715 HG12 ILE 81 2HG1 ILE 81 -0.943 -2.245 -3.899 716 HG13 ILE 81 1HG1 ILE 81 -1.122 -3.485 -2.676 717 HG21 ILE 81 1HG2 ILE 81 0.866 -4.408 -1.522 718 HG22 ILE 81 2HG2 ILE 81 1.327 -2.823 -0.896 719 HG23 ILE 81 3HG2 ILE 81 2.486 -3.772 -1.828 720 HD11 ILE 81 3HD1 ILE 81 -2.095 -1.407 -1.943 721 HD12 ILE 81 1HD1 ILE 81 -0.576 -0.552 -2.202 722 HD13 ILE 81 2HD1 ILE 81 -0.695 -1.779 -0.938 723 H GLU 82 H GLU 82 2.992 -2.454 -5.337 724 HA GLU 82 HA GLU 82 5.454 -3.244 -4.092 725 HB2 GLU 82 2HB GLU 82 4.518 -4.472 -6.008 726 HB3 GLU 82 1HB GLU 82 4.642 -3.043 -7.027 727 HG2 GLU 82 2HG GLU 82 7.085 -3.136 -6.915 728 HG3 GLU 82 1HG GLU 82 7.007 -4.504 -5.807 729 H GLU 83 H GLU 83 4.408 -0.441 -6.002 730 HA GLU 83 HA GLU 83 6.952 0.657 -6.588 731 HB2 GLU 83 2HB GLU 83 4.254 2.045 -6.308 732 HB3 GLU 83 1HB GLU 83 5.699 2.828 -6.935 733 HG2 GLU 83 2HG GLU 83 4.234 0.493 -8.195 734 HG3 GLU 83 1HG GLU 83 4.233 2.161 -8.750 735 H MET 84 H MET 84 4.721 1.078 -3.893 736 HA MET 84 HA MET 84 6.295 2.931 -2.405 737 HB2 MET 84 2HB MET 84 4.043 1.034 -1.598 738 HB3 MET 84 1HB MET 84 4.727 2.263 -0.536 739 HG2 MET 84 2HG MET 84 4.011 4.012 -2.123 740 HG3 MET 84 1HG MET 84 3.291 2.769 -3.145 741 HE1 MET 84 3HE MET 84 0.430 1.422 -0.734 742 HE2 MET 84 1HE MET 84 2.062 0.767 -0.828 743 HE3 MET 84 2HE MET 84 1.198 1.208 -2.305 744 H GLY 85 H GLY 85 5.833 -0.579 -2.424 745 HA2 GLY 85 2HA GLY 85 7.136 -1.371 -0.127 746 HA3 GLY 85 1HA GLY 85 6.963 -2.352 -1.567 747 H LYS 86 H LYS 86 8.507 -0.612 -3.249 748 HA LYS 86 HA LYS 86 11.122 -1.711 -2.621 749 HB2 LYS 86 2HB LYS 86 11.737 -1.008 -4.885 750 HB3 LYS 86 1HB LYS 86 10.204 -1.869 -4.913 751 HG2 LYS 86 2HG LYS 86 9.027 0.351 -4.989 752 HG3 LYS 86 1HG LYS 86 10.605 1.125 -5.146 753 HD2 LYS 86 2HD LYS 86 10.974 -0.221 -7.258 754 HD3 LYS 86 1HD LYS 86 9.314 -0.811 -7.111 755 HE2 LYS 86 2HE LYS 86 8.512 1.559 -7.206 756 HE3 LYS 86 1HE LYS 86 10.178 2.081 -7.479 757 HZ1 LYS 86 3HZ LYS 86 8.606 0.274 -9.241 758 HZ2 LYS 86 1HZ LYS 86 10.203 0.754 -9.516 759 HZ3 LYS 86 2HZ LYS 86 8.956 1.892 -9.548 760 H GLU 87 H GLU 87 9.501 1.420 -2.757 761 HA GLU 87 HA GLU 87 11.960 2.931 -2.340 762 HB2 GLU 87 2HB GLU 87 9.099 3.867 -2.765 763 HB3 GLU 87 1HB GLU 87 10.472 4.949 -2.516 764 HG2 GLU 87 2HG GLU 87 11.580 3.841 -4.525 765 HG3 GLU 87 1HG GLU 87 10.040 3.037 -4.830 766 H ILE 88 H ILE 88 10.175 1.247 -0.237 767 HA ILE 88 HA ILE 88 10.115 2.920 2.043 768 HB ILE 88 HB ILE 88 10.538 -0.099 1.839 769 HG12 ILE 88 2HG1 ILE 88 7.995 1.493 2.407 770 HG13 ILE 88 1HG1 ILE 88 8.408 0.768 0.858 771 HG21 ILE 88 1HG2 ILE 88 11.316 0.658 4.039 772 HG22 ILE 88 2HG2 ILE 88 9.796 -0.219 4.210 773 HG23 ILE 88 3HG2 ILE 88 9.811 1.543 4.294 774 HD11 ILE 88 3HD1 ILE 88 8.340 -1.444 1.869 775 HD12 ILE 88 1HD1 ILE 88 6.815 -0.583 2.043 776 HD13 ILE 88 2HD1 ILE 88 7.904 -0.722 3.421 777 H ARG 89 H ARG 89 12.716 1.044 0.512 778 HA ARG 89 HA ARG 89 14.617 1.208 2.595 779 HB2 ARG 89 2HB ARG 89 14.886 -0.492 0.912 780 HB3 ARG 89 1HB ARG 89 14.975 0.703 -0.378 781 HG2 ARG 89 2HG ARG 89 17.136 1.507 0.516 782 HG3 ARG 89 1HG ARG 89 17.049 0.306 1.807 783 HD2 ARG 89 2HD ARG 89 18.532 -0.444 0.009 784 HD3 ARG 89 1HD ARG 89 17.130 -1.507 0.140 785 HE ARG 89 HE ARG 89 16.533 0.419 -1.790 786 HH11 ARG 89 1HH1 ARG 89 18.860 -2.215 -1.428 787 HH12 ARG 89 2HH1 ARG 89 18.973 -2.503 -3.137 788 HH21 ARG 89 1HH2 ARG 89 16.679 -0.007 -4.022 789 HH22 ARG 89 2HH2 ARG 89 17.743 -1.255 -4.591 790 HA PRO 90 HA PRO 90 16.558 5.136 0.387 791 HB2 PRO 90 2HB PRO 90 14.849 6.605 -1.263 792 HB3 PRO 90 1HB PRO 90 16.060 5.446 -1.844 793 HG2 PRO 90 2HG PRO 90 13.123 5.026 -1.418 794 HG3 PRO 90 1HG PRO 90 14.154 4.498 -2.769 795 HD2 PRO 90 2HD PRO 90 13.442 2.782 -0.836 796 HD3 PRO 90 1HD PRO 90 15.065 2.717 -1.559 797 H THR 91 H THR 91 13.016 5.232 0.992 798 HA THR 91 HA THR 91 12.790 7.662 2.367 799 HB THR 91 HB THR 91 11.311 5.028 2.787 800 HG1 THR 91 HG1 THR 91 10.238 5.706 1.108 801 HG21 THR 91 3HG2 THR 91 11.041 6.350 4.850 802 HG22 THR 91 1HG2 THR 91 9.537 6.364 3.923 803 HG23 THR 91 2HG2 THR 91 10.600 7.768 3.900 804 H TYR 92 H TYR 92 13.483 4.441 3.642 805 HA TYR 92 HA TYR 92 13.910 5.076 6.335 806 HB2 TYR 92 2HB TYR 92 13.456 2.780 5.494 807 HB3 TYR 92 1HB TYR 92 15.025 2.753 4.688 808 HD1 TYR 92 HD2 TYR 92 13.668 3.507 8.110 809 HD2 TYR 92 HD1 TYR 92 16.686 1.530 5.833 810 HE1 TYR 92 HE2 TYR 92 14.683 2.699 10.174 811 HE2 TYR 92 HE1 TYR 92 17.712 0.712 7.913 812 HH TYR 92 HH TYR 92 16.179 1.197 11.022 813 H ALA 93 H ALA 93 16.024 5.263 3.525 814 HA ALA 93 HA ALA 93 18.484 5.663 5.032 815 HB1 ALA 93 3HB ALA 93 19.497 5.895 2.792 816 HB2 ALA 93 1HB ALA 93 17.888 5.877 2.053 817 HB3 ALA 93 2HB ALA 93 18.495 4.449 2.892 818 H GLY 94 H GLY 94 15.912 7.588 4.768 819 HA2 GLY 94 2HA GLY 94 15.707 9.760 5.475 820 HA3 GLY 94 1HA GLY 94 17.439 9.981 5.311 821 H SER 95 H SER 95 15.848 8.766 2.487 822 HA SER 95 HA SER 95 15.987 11.325 1.120 823 HB2 SER 95 2HB SER 95 14.943 8.638 0.119 824 HB3 SER 95 1HB SER 95 15.311 10.051 -0.872 825 HG SER 95 HG SER 95 17.500 9.774 0.274 826 H LYS 96 H LYS 96 14.469 12.715 1.891 827 HA LYS 96 HA LYS 96 11.762 12.133 2.473 828 HB2 LYS 96 2HB LYS 96 11.427 14.585 2.556 829 HB3 LYS 96 1HB LYS 96 12.854 14.076 3.446 830 HG2 LYS 96 2HG LYS 96 14.293 14.816 1.586 831 HG3 LYS 96 1HG LYS 96 12.863 15.341 0.693 832 HD2 LYS 96 2HD LYS 96 12.340 16.971 2.500 833 HD3 LYS 96 1HD LYS 96 13.783 16.450 3.381 834 HE2 LYS 96 2HE LYS 96 14.283 18.505 2.209 835 HE3 LYS 96 1HE LYS 96 15.177 17.198 1.437 836 HZ1 LYS 96 3HZ LYS 96 14.181 18.647 -0.198 837 HZ2 LYS 96 1HZ LYS 96 12.647 18.403 0.453 838 HZ3 LYS 96 2HZ LYS 96 13.459 17.126 -0.285 839 H SER 97 H SER 97 13.365 12.823 -0.544 840 HA SER 97 HA SER 97 11.149 13.545 -2.132 841 HB2 SER 97 2HB SER 97 13.603 11.959 -3.033 842 HB3 SER 97 1HB SER 97 12.521 12.909 -4.056 843 HG SER 97 HG SER 97 14.682 13.782 -3.008 844 H ALA 98 H ALA 98 12.649 10.364 -1.523 845 HA ALA 98 HA ALA 98 10.713 8.797 -2.922 846 HB1 ALA 98 3HB ALA 98 11.848 6.871 -1.891 847 HB2 ALA 98 1HB ALA 98 12.743 7.960 -0.819 848 HB3 ALA 98 2HB ALA 98 13.011 8.014 -2.561 849 H MET 99 H MET 99 11.051 9.953 0.386 850 HA MET 99 HA MET 99 9.071 8.364 1.628 851 HB2 MET 99 2HB MET 99 10.796 9.549 2.900 852 HB3 MET 99 1HB MET 99 10.181 11.107 2.369 853 HG2 MET 99 2HG MET 99 8.484 9.206 4.000 854 HG3 MET 99 1HG MET 99 9.602 10.336 4.755 855 HE1 MET 99 3HE MET 99 9.351 12.976 4.646 856 HE2 MET 99 1HE MET 99 8.107 13.802 3.708 857 HE3 MET 99 2HE MET 99 9.388 12.915 2.882 858 H GLU 100 H GLU 100 8.960 11.472 -0.055 859 HA GLU 100 HA GLU 100 6.254 12.126 0.567 860 HB2 GLU 100 2HB GLU 100 8.129 13.698 -0.297 861 HB3 GLU 100 1HB GLU 100 7.785 13.063 -1.902 862 HG2 GLU 100 2HG GLU 100 6.633 15.168 -1.632 863 HG3 GLU 100 1HG GLU 100 5.433 13.878 -1.670 864 H ARG 101 H ARG 101 7.871 10.420 -2.043 865 HA ARG 101 HA ARG 101 5.627 9.914 -3.737 866 HB2 ARG 101 2HB ARG 101 8.321 8.525 -3.440 867 HB3 ARG 101 1HB ARG 101 7.138 8.055 -4.660 868 HG2 ARG 101 2HG ARG 101 7.269 10.259 -5.707 869 HG3 ARG 101 1HG ARG 101 8.360 10.827 -4.434 870 HD2 ARG 101 2HD ARG 101 9.514 10.201 -6.581 871 HD3 ARG 101 1HD ARG 101 10.110 9.332 -5.169 872 HE ARG 101 HE ARG 101 9.122 7.362 -5.947 873 HH11 ARG 101 1HH1 ARG 101 8.521 9.977 -8.250 874 HH12 ARG 101 2HH1 ARG 101 8.078 8.891 -9.530 875 HH21 ARG 101 1HH2 ARG 101 8.614 5.975 -7.642 876 HH22 ARG 101 2HH2 ARG 101 8.133 6.624 -9.180 877 H LEU 102 H LEU 102 7.141 8.154 -1.095 878 HA LEU 102 HA LEU 102 5.681 5.751 -1.155 879 HB2 LEU 102 2HB LEU 102 7.784 6.068 0.087 880 HB3 LEU 102 1HB LEU 102 7.017 7.243 1.140 881 HG LEU 102 HG LEU 102 5.606 5.442 2.122 882 HD11 LEU 102 1HD1 LEU 102 7.194 3.550 0.369 883 HD12 LEU 102 2HD1 LEU 102 5.473 3.914 0.222 884 HD13 LEU 102 3HD1 LEU 102 6.076 3.087 1.655 885 HD21 LEU 102 3HD2 LEU 102 8.574 4.845 2.169 886 HD22 LEU 102 1HD2 LEU 102 7.386 4.334 3.367 887 HD23 LEU 102 2HD2 LEU 102 7.736 6.045 3.160 888 H LYS 103 H LYS 103 5.157 8.781 0.686 889 HA LYS 103 HA LYS 103 2.718 8.218 1.932 890 HB2 LYS 103 2HB LYS 103 3.796 10.847 0.845 891 HB3 LYS 103 1HB LYS 103 2.355 10.728 1.849 892 HG2 LYS 103 2HG LYS 103 3.662 9.953 3.740 893 HG3 LYS 103 1HG LYS 103 5.118 9.858 2.738 894 HD2 LYS 103 2HD LYS 103 5.069 11.931 4.137 895 HD3 LYS 103 1HD LYS 103 5.120 12.274 2.406 896 HE2 LYS 103 2HE LYS 103 2.615 12.605 2.476 897 HE3 LYS 103 1HE LYS 103 2.698 12.451 4.232 898 HZ1 LYS 103 3HZ LYS 103 2.709 14.744 3.585 899 HZ2 LYS 103 1HZ LYS 103 4.052 14.516 2.582 900 HZ3 LYS 103 2HZ LYS 103 4.209 14.354 4.260 901 H ARG 104 H ARG 104 3.361 9.744 -1.217 902 HA ARG 104 HA ARG 104 0.705 10.296 -1.931 903 HB2 ARG 104 2HB ARG 104 2.740 11.334 -2.970 904 HB3 ARG 104 1HB ARG 104 3.084 9.812 -3.788 905 HG2 ARG 104 2HG ARG 104 0.925 10.007 -4.998 906 HG3 ARG 104 1HG ARG 104 0.636 11.552 -4.196 907 HD2 ARG 104 2HD ARG 104 2.640 12.496 -5.292 908 HD3 ARG 104 1HD ARG 104 2.942 10.938 -6.079 909 HE ARG 104 HE ARG 104 0.315 11.834 -6.647 910 HH11 ARG 104 1HH1 ARG 104 3.654 12.505 -7.558 911 HH12 ARG 104 2HH1 ARG 104 3.220 13.128 -9.117 912 HH21 ARG 104 1HH2 ARG 104 -0.213 12.655 -8.700 913 HH22 ARG 104 2HH2 ARG 104 1.047 13.211 -9.756 914 H GLY 105 H GLY 105 2.642 7.404 -2.226 915 HA2 GLY 105 2HA GLY 105 1.042 5.880 -3.973 916 HA3 GLY 105 1HA GLY 105 2.147 5.260 -2.757 917 H ILE 106 H ILE 106 1.016 6.213 -0.397 918 HA ILE 106 HA ILE 106 -1.137 4.447 0.046 919 HB ILE 106 HB ILE 106 0.124 6.626 1.706 920 HG12 ILE 106 2HG1 ILE 106 0.304 4.706 3.371 921 HG13 ILE 106 1HG1 ILE 106 -0.405 3.660 2.160 922 HG21 ILE 106 1HG2 ILE 106 -2.516 5.346 2.511 923 HG22 ILE 106 2HG2 ILE 106 -2.243 7.057 2.177 924 HG23 ILE 106 3HG2 ILE 106 -1.484 6.302 3.580 925 HD11 ILE 106 3HD1 ILE 106 2.020 3.435 2.334 926 HD12 ILE 106 1HD1 ILE 106 2.205 5.126 1.876 927 HD13 ILE 106 2HD1 ILE 106 1.519 3.978 0.736 928 H ILE 107 H ILE 107 -1.109 7.968 -0.628 929 HA ILE 107 HA ILE 107 -3.903 8.407 -0.342 930 HB ILE 107 HB ILE 107 -1.739 9.931 -1.851 931 HG12 ILE 107 2HG1 ILE 107 -2.307 11.743 -0.185 932 HG13 ILE 107 1HG1 ILE 107 -3.475 10.663 0.563 933 HG21 ILE 107 1HG2 ILE 107 -4.697 10.659 -1.823 934 HG22 ILE 107 2HG2 ILE 107 -3.730 10.237 -3.237 935 HG23 ILE 107 3HG2 ILE 107 -3.401 11.731 -2.363 936 HD11 ILE 107 3HD1 ILE 107 -1.431 10.794 1.852 937 HD12 ILE 107 1HD1 ILE 107 -0.488 10.271 0.454 938 HD13 ILE 107 2HD1 ILE 107 -1.639 9.165 1.209 939 H HIS 108 H HIS 108 -1.919 7.483 -3.118 940 HA HIS 108 HA HIS 108 -3.906 7.505 -5.129 941 HB2 HIS 108 2HB HIS 108 -1.426 7.457 -5.566 942 HB3 HIS 108 1HB HIS 108 -1.384 5.786 -5.019 943 HD1 HIS 108 HD1 HIS 108 -0.352 5.533 -7.503 944 HD2 HIS 108 HD2 HIS 108 -4.412 6.332 -7.312 945 HE1 HIS 108 HE1 HIS 108 -1.248 4.955 -9.764 946 HE2 HIS 108 HE2 HIS 108 -3.641 5.683 -9.680 947 H ALA 109 H ALA 109 -2.642 4.896 -3.058 948 HA ALA 109 HA ALA 109 -4.253 2.807 -4.170 949 HB1 ALA 109 3HB ALA 109 -2.648 2.883 -1.588 950 HB2 ALA 109 1HB ALA 109 -2.066 2.352 -3.166 951 HB3 ALA 109 2HB ALA 109 -3.325 1.435 -2.341 952 H ARG 110 H ARG 110 -4.650 5.072 -1.538 953 HA ARG 110 HA ARG 110 -6.772 3.831 -0.099 954 HB2 ARG 110 2HB ARG 110 -5.238 5.785 0.621 955 HB3 ARG 110 1HB ARG 110 -6.241 6.832 -0.367 956 HG2 ARG 110 2HG ARG 110 -6.885 7.069 1.934 957 HG3 ARG 110 1HG ARG 110 -8.195 6.252 1.086 958 HD2 ARG 110 2HD ARG 110 -7.709 4.162 2.135 959 HD3 ARG 110 1HD ARG 110 -6.110 4.699 2.658 960 HE ARG 110 HE ARG 110 -7.054 5.727 4.491 961 HH11 ARG 110 1HH1 ARG 110 -9.700 4.793 2.350 962 HH12 ARG 110 2HH1 ARG 110 -10.916 5.148 3.528 963 HH21 ARG 110 1HH2 ARG 110 -8.663 6.163 5.996 964 HH22 ARG 110 2HH2 ARG 110 -10.327 5.923 5.592 965 H ALA 111 H ALA 111 -6.598 6.087 -2.808 966 HA ALA 111 HA ALA 111 -9.423 6.481 -3.140 967 HB1 ALA 111 3HB ALA 111 -7.785 8.168 -3.877 968 HB2 ALA 111 1HB ALA 111 -8.776 7.618 -5.230 969 HB3 ALA 111 2HB ALA 111 -7.119 7.030 -5.052 970 H LEU 112 H LEU 112 -6.920 4.416 -4.622 971 HA LEU 112 HA LEU 112 -8.359 3.250 -6.705 972 HB2 LEU 112 2HB LEU 112 -6.012 2.254 -5.059 973 HB3 LEU 112 1HB LEU 112 -6.689 1.255 -6.334 974 HG LEU 112 HG LEU 112 -5.614 4.063 -6.832 975 HD11 LEU 112 1HD1 LEU 112 -3.813 2.599 -5.996 976 HD12 LEU 112 2HD1 LEU 112 -3.576 3.055 -7.680 977 HD13 LEU 112 3HD1 LEU 112 -4.166 1.441 -7.279 978 HD21 LEU 112 3HD2 LEU 112 -5.586 3.359 -9.188 979 HD22 LEU 112 1HD2 LEU 112 -7.212 3.281 -8.515 980 HD23 LEU 112 2HD2 LEU 112 -6.283 1.798 -8.746 981 H VAL 113 H VAL 113 -7.879 1.991 -3.374 982 HA VAL 113 HA VAL 113 -9.514 -0.280 -3.660 983 HB VAL 113 HB VAL 113 -8.863 1.199 -1.066 984 HG11 VAL 113 1HG1 VAL 113 -9.394 -0.954 0.063 985 HG12 VAL 113 2HG1 VAL 113 -9.910 -1.633 -1.478 986 HG13 VAL 113 3HG1 VAL 113 -10.803 -0.289 -0.769 987 HG21 VAL 113 3HG2 VAL 113 -7.479 -1.189 -2.334 988 HG22 VAL 113 1HG2 VAL 113 -7.075 -0.475 -0.769 989 HG23 VAL 113 2HG2 VAL 113 -6.837 0.449 -2.254 990 H ARG 114 H ARG 114 -10.215 2.997 -2.519 991 HA ARG 114 HA ARG 114 -12.808 2.658 -1.538 992 HB2 ARG 114 2HB ARG 114 -11.420 4.672 -1.187 993 HB3 ARG 114 1HB ARG 114 -11.582 5.097 -2.884 994 HG2 ARG 114 2HG ARG 114 -14.029 5.385 -2.551 995 HG3 ARG 114 1HG ARG 114 -13.824 5.012 -0.840 996 HD2 ARG 114 2HD ARG 114 -12.461 7.003 -0.518 997 HD3 ARG 114 1HD ARG 114 -12.481 7.345 -2.255 998 HE ARG 114 HE ARG 114 -15.072 7.194 -0.945 999 HH11 ARG 114 1HH1 ARG 114 -12.500 9.341 -2.048 1000 HH12 ARG 114 2HH1 ARG 114 -13.531 10.737 -2.064 1001 HH21 ARG 114 1HH2 ARG 114 -16.392 9.003 -0.999 1002 HH22 ARG 114 2HH2 ARG 114 -15.747 10.549 -1.468 1003 H GLU 115 H GLU 115 -11.728 3.431 -4.823 1004 HA GLU 115 HA GLU 115 -14.332 3.818 -5.966 1005 HB2 GLU 115 2HB GLU 115 -11.593 3.386 -7.221 1006 HB3 GLU 115 1HB GLU 115 -13.043 3.737 -8.158 1007 HG2 GLU 115 2HG GLU 115 -13.261 5.919 -7.102 1008 HG3 GLU 115 1HG GLU 115 -11.925 5.547 -6.009 1009 H CYS 116 H CYS 116 -11.957 1.153 -5.944 1010 HA CYS 116 HA CYS 116 -13.411 -0.576 -7.660 1011 HB2 CYS 116 2HB CYS 116 -11.282 -1.282 -5.607 1012 HB3 CYS 116 1HB CYS 116 -11.854 -2.348 -6.890 1013 HG CYS 116 HG CYS 116 -9.430 -0.228 -6.942 1014 H LEU 117 H LEU 117 -13.481 -0.061 -4.167 1015 HA LEU 117 HA LEU 117 -14.788 -2.283 -3.165 1016 HB2 LEU 117 2HB LEU 117 -14.962 0.651 -2.417 1017 HB3 LEU 117 1HB LEU 117 -15.970 -0.507 -1.574 1018 HG LEU 117 HG LEU 117 -12.927 -0.668 -1.608 1019 HD11 LEU 117 1HD1 LEU 117 -14.721 0.536 0.531 1020 HD12 LEU 117 2HD1 LEU 117 -13.668 1.436 -0.563 1021 HD13 LEU 117 3HD1 LEU 117 -12.967 0.337 0.617 1022 HD21 LEU 117 3HD2 LEU 117 -13.186 -2.173 0.293 1023 HD22 LEU 117 1HD2 LEU 117 -14.078 -2.802 -1.092 1024 HD23 LEU 117 2HD2 LEU 117 -14.944 -2.014 0.229 1025 H ALA 118 H ALA 118 -16.117 0.440 -4.963 1026 HA ALA 118 HA ALA 118 -18.848 0.165 -4.470 1027 HB1 ALA 118 3HB ALA 118 -17.503 1.251 -6.963 1028 HB2 ALA 118 1HB ALA 118 -17.839 2.160 -5.493 1029 HB3 ALA 118 2HB ALA 118 -19.175 1.554 -6.478 1030 H GLU 119 H GLU 119 -17.013 -1.070 -7.339 1031 HA GLU 119 HA GLU 119 -19.235 -2.668 -8.223 1032 HB2 GLU 119 2HB GLU 119 -17.769 -3.343 -10.046 1033 HB3 GLU 119 1HB GLU 119 -17.664 -1.603 -9.808 1034 HG2 GLU 119 2HG GLU 119 -15.517 -1.913 -8.592 1035 HG3 GLU 119 1HG GLU 119 -15.627 -3.650 -8.876 1036 H THR 120 H THR 120 -16.346 -3.244 -6.286 1037 HA THR 120 HA THR 120 -16.240 -6.084 -6.450 1038 HB THR 120 HB THR 120 -15.222 -4.242 -4.226 1039 HG1 THR 120 HG1 THR 120 -14.392 -4.117 -6.523 1040 HG21 THR 120 3HG2 THR 120 -14.460 -7.145 -4.808 1041 HG22 THR 120 1HG2 THR 120 -15.360 -6.582 -3.395 1042 HG23 THR 120 2HG2 THR 120 -13.679 -6.099 -3.619 1043 H GLU 121 H GLU 121 -18.104 -3.851 -4.528 1044 HA GLU 121 HA GLU 121 -19.315 -5.594 -2.696 1045 HB2 GLU 121 2HB GLU 121 -19.534 -3.104 -2.637 1046 HB3 GLU 121 1HB GLU 121 -20.564 -3.177 -4.062 1047 HG2 GLU 121 2HG GLU 121 -22.165 -4.613 -2.714 1048 HG3 GLU 121 1HG GLU 121 -21.175 -4.258 -1.296 1049 H ARG 122 H ARG 122 -20.470 -4.533 -5.934 1050 HA ARG 122 HA ARG 122 -22.548 -6.397 -6.247 1051 HB2 ARG 122 2HB ARG 122 -22.247 -4.329 -7.601 1052 HB3 ARG 122 1HB ARG 122 -20.850 -5.049 -8.391 1053 HG2 ARG 122 2HG ARG 122 -22.328 -6.792 -9.381 1054 HG3 ARG 122 1HG ARG 122 -23.723 -6.034 -8.603 1055 HD2 ARG 122 2HD ARG 122 -23.560 -5.354 -10.958 1056 HD3 ARG 122 1HD ARG 122 -23.327 -3.966 -9.889 1057 HE ARG 122 HE ARG 122 -20.998 -5.397 -10.999 1058 HH11 ARG 122 1HH1 ARG 122 -22.863 -2.412 -10.762 1059 HH12 ARG 122 2HH1 ARG 122 -21.643 -1.458 -11.539 1060 HH21 ARG 122 1HH2 ARG 122 -19.439 -4.145 -12.008 1061 HH22 ARG 122 2HH2 ARG 122 -19.697 -2.448 -12.245 1062 H ASN 123 H ASN 123 -19.092 -6.741 -6.819 1063 HA ASN 123 HA ASN 123 -19.284 -9.179 -8.370 1064 HB2 ASN 123 2HB ASN 123 -16.898 -7.714 -7.158 1065 HB3 ASN 123 1HB ASN 123 -16.746 -9.196 -8.098 1066 HD21 ASN 123 1HD2 ASN 123 -15.741 -6.455 -8.636 1067 HD22 ASN 123 2HD2 ASN 123 -16.345 -6.041 -10.200 1068 H ALA 124 H ALA 124 -17.176 -8.862 -5.501 1069 HA ALA 124 HA ALA 124 -16.835 -10.160 -3.677 1070 HB1 ALA 124 3HB ALA 124 -18.854 -8.908 -3.038 1071 HB2 ALA 124 1HB ALA 124 -18.803 -10.502 -2.278 1072 HB3 ALA 124 2HB ALA 124 -19.865 -10.218 -3.657 1073 H ARG 125 H ARG 125 -16.614 -11.653 -6.017 1074 HA ARG 125 HA ARG 125 -18.063 -14.172 -5.668 1075 HB2 ARG 125 2HB ARG 125 -16.207 -13.287 -7.921 1076 HB3 ARG 125 1HB ARG 125 -17.105 -14.799 -7.885 1077 HG2 ARG 125 2HG ARG 125 -18.351 -12.030 -7.944 1078 HG3 ARG 125 1HG ARG 125 -18.156 -13.090 -9.336 1079 HD2 ARG 125 2HD ARG 125 -20.439 -13.248 -8.594 1080 HD3 ARG 125 1HD ARG 125 -19.638 -14.771 -8.200 1081 HE ARG 125 HE ARG 125 -19.760 -12.759 -6.092 1082 HH11 ARG 125 1HH1 ARG 125 -21.290 -15.657 -7.442 1083 HH12 ARG 125 2HH1 ARG 125 -22.100 -16.049 -5.954 1084 HH21 ARG 125 1HH2 ARG 125 -20.747 -13.357 -4.155 1085 HH22 ARG 125 2HH2 ARG 125 -21.791 -14.748 -4.092 1086 H THR 126 H THR 126 -16.892 -16.188 -5.968 1087 HA THR 126 HA THR 126 -14.119 -16.360 -5.097 1088 HB THR 126 HB THR 126 -16.422 -17.545 -3.462 1089 HG1 THR 126 HG1 THR 126 -14.789 -15.336 -3.180 1090 HG21 THR 126 3HG2 THR 126 -14.708 -18.529 -1.975 1091 HG22 THR 126 1HG2 THR 126 -13.432 -17.962 -3.051 1092 HG23 THR 126 2HG2 THR 126 -14.571 -19.194 -3.604 Start of MODEL 2 1 H1 SER 58 1H SER 58 -17.800 -0.538 -23.490 2 H2 SER 58 2H SER 58 -18.861 -0.935 -24.738 3 H3 SER 58 3H SER 58 -18.623 -2.010 -23.456 4 HA SER 58 HA SER 58 -19.816 0.678 -23.236 5 HB2 SER 58 2HB SER 58 -21.261 -0.952 -24.464 6 HB3 SER 58 1HB SER 58 -21.149 -2.066 -23.100 7 HG SER 58 HG SER 58 -22.782 -1.034 -22.326 8 H HIS 59 H HIS 59 -19.380 1.475 -21.228 9 HA HIS 59 HA HIS 59 -18.789 -0.252 -18.942 10 HB2 HIS 59 2HB HIS 59 -19.074 2.791 -19.075 11 HB3 HIS 59 1HB HIS 59 -18.510 1.879 -17.679 12 HD1 HIS 59 HD1 HIS 59 -16.129 0.693 -17.956 13 HD2 HIS 59 HD2 HIS 59 -17.126 3.406 -20.940 14 HE1 HIS 59 HE1 HIS 59 -13.980 1.217 -19.141 15 HE2 HIS 59 HE2 HIS 59 -14.637 2.733 -21.031 16 H MET 60 H MET 60 -20.513 -1.235 -17.993 17 HA MET 60 HA MET 60 -23.209 -0.311 -18.244 18 HB2 MET 60 2HB MET 60 -22.498 -2.742 -18.022 19 HB3 MET 60 1HB MET 60 -22.168 -2.446 -16.320 20 HG2 MET 60 2HG MET 60 -24.359 -3.508 -16.650 21 HG3 MET 60 1HG MET 60 -24.539 -1.895 -15.951 22 HE1 MET 60 3HE MET 60 -27.235 -2.208 -16.734 23 HE2 MET 60 1HE MET 60 -26.832 -3.732 -17.528 24 HE3 MET 60 2HE MET 60 -27.678 -2.471 -18.421 25 H ALA 61 H ALA 61 -20.747 -0.134 -15.735 26 HA ALA 61 HA ALA 61 -20.428 1.156 -13.914 27 HB1 ALA 61 3HB ALA 61 -20.856 2.963 -15.554 28 HB2 ALA 61 1HB ALA 61 -21.368 3.416 -13.927 29 HB3 ALA 61 2HB ALA 61 -22.569 2.939 -15.129 30 H MET 62 H MET 62 -22.668 -0.903 -13.930 31 HA MET 62 HA MET 62 -24.612 0.012 -11.996 32 HB2 MET 62 2HB MET 62 -25.249 -1.616 -13.731 33 HB3 MET 62 1HB MET 62 -24.059 -2.764 -13.132 34 HG2 MET 62 2HG MET 62 -25.316 -2.874 -10.975 35 HG3 MET 62 1HG MET 62 -26.546 -1.819 -11.676 36 HE1 MET 62 3HE MET 62 -27.886 -4.094 -14.611 37 HE2 MET 62 1HE MET 62 -26.594 -2.902 -14.715 38 HE3 MET 62 2HE MET 62 -28.059 -2.540 -13.799 39 H LYS 63 H LYS 63 -24.277 0.038 -9.891 40 HA LYS 63 HA LYS 63 -23.016 -2.079 -8.431 41 HB2 LYS 63 2HB LYS 63 -21.353 -0.536 -7.262 42 HB3 LYS 63 1HB LYS 63 -20.957 -0.941 -8.929 43 HG2 LYS 63 2HG LYS 63 -21.849 1.260 -9.667 44 HG3 LYS 63 1HG LYS 63 -22.189 1.668 -7.982 45 HD2 LYS 63 2HD LYS 63 -19.744 1.449 -7.479 46 HD3 LYS 63 1HD LYS 63 -19.444 1.149 -9.195 47 HE2 LYS 63 2HE LYS 63 -20.585 3.682 -7.967 48 HE3 LYS 63 1HE LYS 63 -18.984 3.484 -8.676 49 HZ1 LYS 63 3HZ LYS 63 -20.409 4.577 -10.228 50 HZ2 LYS 63 1HZ LYS 63 -21.583 3.370 -10.098 51 HZ3 LYS 63 2HZ LYS 63 -20.096 3.025 -10.812 52 HA PRO 64 HA PRO 64 -26.689 -0.027 -6.412 53 HB2 PRO 64 2HB PRO 64 -27.638 -2.428 -5.353 54 HB3 PRO 64 1HB PRO 64 -28.084 -1.801 -6.953 55 HG2 PRO 64 2HG PRO 64 -26.005 -3.847 -6.244 56 HG3 PRO 64 1HG PRO 64 -27.201 -3.867 -7.562 57 HD2 PRO 64 2HD PRO 64 -24.646 -3.206 -8.036 58 HD3 PRO 64 1HD PRO 64 -25.972 -2.375 -8.880 59 HA PRO 65 HA PRO 65 -24.456 0.233 -2.473 60 HB2 PRO 65 2HB PRO 65 -27.051 1.296 -1.386 61 HB3 PRO 65 1HB PRO 65 -25.435 2.038 -1.400 62 HG2 PRO 65 2HG PRO 65 -27.324 2.938 -3.041 63 HG3 PRO 65 1HG PRO 65 -25.637 2.796 -3.597 64 HD2 PRO 65 2HD PRO 65 -27.957 0.926 -4.118 65 HD3 PRO 65 1HD PRO 65 -26.733 1.554 -5.251 66 H GLY 66 H GLY 66 -24.127 -1.804 -1.693 67 HA2 GLY 66 2HA GLY 66 -26.209 -2.998 0.066 68 HA3 GLY 66 1HA GLY 66 -25.310 -3.998 -1.076 69 H ALA 67 H ALA 67 -24.640 -1.475 1.343 70 HA ALA 67 HA ALA 67 -21.986 -2.293 1.934 71 HB1 ALA 67 3HB ALA 67 -22.129 -0.656 3.778 72 HB2 ALA 67 1HB ALA 67 -23.875 -0.533 3.533 73 HB3 ALA 67 2HB ALA 67 -22.766 0.006 2.273 74 H GLN 68 H GLN 68 -21.754 -4.373 2.640 75 HA GLN 68 HA GLN 68 -22.757 -5.189 5.251 76 HB2 GLN 68 2HB GLN 68 -23.969 -7.174 4.420 77 HB3 GLN 68 1HB GLN 68 -24.668 -5.713 3.734 78 HG2 GLN 68 2HG GLN 68 -23.328 -6.171 1.623 79 HG3 GLN 68 1HG GLN 68 -22.867 -7.716 2.335 80 HE21 GLN 68 1HE2 GLN 68 -23.893 -8.967 0.791 81 HE22 GLN 68 2HE2 GLN 68 -25.606 -9.046 0.612 82 H GLY 69 H GLY 69 -22.224 -8.032 4.786 83 HA2 GLY 69 2HA GLY 69 -19.397 -8.122 5.168 84 HA3 GLY 69 1HA GLY 69 -20.484 -9.490 5.045 85 H SER 70 H SER 70 -20.666 -7.463 2.313 86 HA SER 70 HA SER 70 -19.406 -9.299 0.535 87 HB2 SER 70 2HB SER 70 -20.000 -7.439 -1.137 88 HB3 SER 70 1HB SER 70 -21.346 -8.119 -0.225 89 HG SER 70 HG SER 70 -21.449 -5.843 -0.261 90 H GLN 71 H GLN 71 -18.816 -5.821 1.074 91 HA GLN 71 HA GLN 71 -16.175 -5.903 -0.052 92 HB2 GLN 71 2HB GLN 71 -16.119 -3.500 0.433 93 HB3 GLN 71 1HB GLN 71 -17.633 -3.944 -0.348 94 HG2 GLN 71 2HG GLN 71 -18.785 -3.892 1.827 95 HG3 GLN 71 1HG GLN 71 -17.268 -3.482 2.625 96 HE21 GLN 71 1HE2 GLN 71 -16.410 -1.381 2.371 97 HE22 GLN 71 2HE2 GLN 71 -17.371 -0.076 1.774 98 H SER 72 H SER 72 -17.535 -6.041 3.164 99 HA SER 72 HA SER 72 -15.742 -5.193 4.934 100 HB2 SER 72 2HB SER 72 -17.859 -6.268 5.545 101 HB3 SER 72 1HB SER 72 -17.230 -7.845 5.077 102 HG SER 72 HG SER 72 -16.421 -6.201 7.246 103 H THR 73 H THR 73 -15.298 -8.139 3.057 104 HA THR 73 HA THR 73 -13.188 -9.216 4.715 105 HB THR 73 HB THR 73 -14.743 -10.684 3.440 106 HG1 THR 73 HG1 THR 73 -13.017 -11.827 3.858 107 HG21 THR 73 3HG2 THR 73 -13.305 -9.712 0.937 108 HG22 THR 73 1HG2 THR 73 -14.994 -9.389 1.346 109 HG23 THR 73 2HG2 THR 73 -14.466 -11.039 1.011 110 H TYR 74 H TYR 74 -13.474 -7.398 1.733 111 HA TYR 74 HA TYR 74 -10.642 -7.317 1.137 112 HB2 TYR 74 2HB TYR 74 -12.328 -7.518 -0.639 113 HB3 TYR 74 1HB TYR 74 -13.057 -5.990 -0.154 114 HD1 TYR 74 HD1 TYR 74 -9.757 -7.395 -1.307 115 HD2 TYR 74 HD2 TYR 74 -12.411 -4.059 -1.314 116 HE1 TYR 74 HE1 TYR 74 -8.274 -6.204 -2.852 117 HE2 TYR 74 HE2 TYR 74 -10.935 -2.870 -2.843 118 HH TYR 74 HH TYR 74 -8.336 -4.409 -4.441 119 H THR 75 H THR 75 -12.863 -5.400 2.995 120 HA THR 75 HA THR 75 -11.809 -2.791 2.669 121 HB THR 75 HB THR 75 -13.271 -3.933 5.100 122 HG1 THR 75 HG1 THR 75 -14.106 -3.556 2.606 123 HG21 THR 75 3HG2 THR 75 -12.962 -1.037 4.179 124 HG22 THR 75 1HG2 THR 75 -12.236 -1.744 5.624 125 HG23 THR 75 2HG2 THR 75 -13.989 -1.581 5.508 126 H ASP 76 H ASP 76 -10.710 -5.520 4.507 127 HA ASP 76 HA ASP 76 -8.974 -4.514 6.379 128 HB2 ASP 76 2HB ASP 76 -9.375 -6.933 6.003 129 HB3 ASP 76 1HB ASP 76 -8.470 -6.864 4.492 130 H LEU 77 H LEU 77 -8.441 -4.839 2.881 131 HA LEU 77 HA LEU 77 -5.768 -4.024 2.723 132 HB2 LEU 77 2HB LEU 77 -6.938 -5.125 0.865 133 HB3 LEU 77 1HB LEU 77 -7.998 -3.736 0.672 134 HG LEU 77 HG LEU 77 -6.090 -2.345 -0.062 135 HD11 LEU 77 1HD1 LEU 77 -4.295 -3.361 1.230 136 HD12 LEU 77 2HD1 LEU 77 -3.878 -3.302 -0.478 137 HD13 LEU 77 3HD1 LEU 77 -4.387 -4.829 0.251 138 HD21 LEU 77 3HD2 LEU 77 -5.636 -3.418 -2.219 139 HD22 LEU 77 1HD2 LEU 77 -7.334 -3.560 -1.771 140 HD23 LEU 77 2HD2 LEU 77 -6.261 -4.952 -1.603 141 H LEU 78 H LEU 78 -8.773 -2.097 2.525 142 HA LEU 78 HA LEU 78 -7.724 0.433 1.950 143 HB2 LEU 78 2HB LEU 78 -10.166 -0.161 1.985 144 HB3 LEU 78 1HB LEU 78 -10.108 -0.219 3.737 145 HG LEU 78 HG LEU 78 -9.419 2.266 3.666 146 HD11 LEU 78 1HD1 LEU 78 -10.349 2.043 0.787 147 HD12 LEU 78 2HD1 LEU 78 -8.710 2.401 1.340 148 HD13 LEU 78 3HD1 LEU 78 -10.010 3.545 1.655 149 HD21 LEU 78 3HD2 LEU 78 -11.672 1.541 4.339 150 HD22 LEU 78 1HD2 LEU 78 -12.197 1.569 2.655 151 HD23 LEU 78 2HD2 LEU 78 -11.723 3.067 3.461 152 H SER 79 H SER 79 -8.175 -1.224 5.030 153 HA SER 79 HA SER 79 -7.234 0.804 6.757 154 HB2 SER 79 2HB SER 79 -8.601 -1.108 7.532 155 HB3 SER 79 1HB SER 79 -7.272 -2.214 7.185 156 HG SER 79 HG SER 79 -6.926 0.005 8.905 157 H VAL 80 H VAL 80 -5.574 -2.041 5.288 158 HA VAL 80 HA VAL 80 -3.104 -1.845 6.563 159 HB VAL 80 HB VAL 80 -3.630 -2.850 3.714 160 HG11 VAL 80 1HG1 VAL 80 -1.520 -4.133 3.940 161 HG12 VAL 80 2HG1 VAL 80 -1.214 -3.368 5.501 162 HG13 VAL 80 3HG1 VAL 80 -1.232 -2.395 4.032 163 HG21 VAL 80 3HG2 VAL 80 -3.459 -4.422 6.319 164 HG22 VAL 80 1HG2 VAL 80 -3.677 -5.110 4.706 165 HG23 VAL 80 2HG2 VAL 80 -4.928 -4.087 5.406 166 H ILE 81 H ILE 81 -4.178 -0.337 3.522 167 HA ILE 81 HA ILE 81 -1.801 0.918 2.758 168 HB ILE 81 HB ILE 81 -4.640 1.925 2.231 169 HG12 ILE 81 2HG1 ILE 81 -4.463 -0.396 1.485 170 HG13 ILE 81 1HG1 ILE 81 -4.477 0.648 0.073 171 HG21 ILE 81 1HG2 ILE 81 -3.648 2.979 0.209 172 HG22 ILE 81 2HG2 ILE 81 -2.044 2.465 0.735 173 HG23 ILE 81 3HG2 ILE 81 -2.959 3.623 1.702 174 HD11 ILE 81 3HD1 ILE 81 -2.908 -1.162 -0.188 175 HD12 ILE 81 1HD1 ILE 81 -2.061 -0.692 1.284 176 HD13 ILE 81 2HD1 ILE 81 -2.043 0.373 -0.125 177 H GLU 82 H GLU 82 -4.484 2.191 4.751 178 HA GLU 82 HA GLU 82 -3.288 4.801 5.026 179 HB2 GLU 82 2HB GLU 82 -5.765 4.345 5.020 180 HB3 GLU 82 1HB GLU 82 -5.599 3.578 6.598 181 HG2 GLU 82 2HG GLU 82 -4.814 5.727 7.553 182 HG3 GLU 82 1HG GLU 82 -4.978 6.486 5.965 183 H GLU 83 H GLU 83 -3.189 1.822 6.859 184 HA GLU 83 HA GLU 83 -2.158 3.020 9.294 185 HB2 GLU 83 2HB GLU 83 -2.466 0.107 8.474 186 HB3 GLU 83 1HB GLU 83 -1.923 0.642 10.060 187 HG2 GLU 83 2HG GLU 83 -4.640 1.191 8.832 188 HG3 GLU 83 1HG GLU 83 -4.288 0.011 10.088 189 H MET 84 H MET 84 -0.802 1.456 6.422 190 HA MET 84 HA MET 84 1.893 1.418 7.455 191 HB2 MET 84 2HB MET 84 2.591 0.735 5.271 192 HB3 MET 84 1HB MET 84 1.034 -0.037 5.501 193 HG2 MET 84 2HG MET 84 -0.036 1.588 4.078 194 HG3 MET 84 1HG MET 84 1.441 2.528 3.960 195 HE1 MET 84 3HE MET 84 0.701 -1.483 1.812 196 HE2 MET 84 1HE MET 84 -0.550 -0.570 2.654 197 HE3 MET 84 2HE MET 84 0.717 -1.387 3.572 198 H GLY 85 H GLY 85 -0.224 3.664 5.798 199 HA2 GLY 85 2HA GLY 85 1.564 5.563 4.799 200 HA3 GLY 85 1HA GLY 85 -0.116 5.847 5.201 201 H LYS 86 H LYS 86 0.397 5.105 8.054 202 HA LYS 86 HA LYS 86 1.212 7.772 8.931 203 HB2 LYS 86 2HB LYS 86 0.287 7.175 11.079 204 HB3 LYS 86 1HB LYS 86 -0.850 6.686 9.830 205 HG2 LYS 86 2HG LYS 86 0.089 4.331 10.052 206 HG3 LYS 86 1HG LYS 86 0.966 4.896 11.474 207 HD2 LYS 86 2HD LYS 86 -2.057 4.856 11.105 208 HD3 LYS 86 1HD LYS 86 -1.116 3.774 12.133 209 HE2 LYS 86 2HE LYS 86 -0.473 5.665 13.567 210 HE3 LYS 86 1HE LYS 86 -1.346 6.782 12.514 211 HZ1 LYS 86 3HZ LYS 86 -3.404 5.617 13.063 212 HZ2 LYS 86 1HZ LYS 86 -2.651 6.234 14.446 213 HZ3 LYS 86 2HZ LYS 86 -2.557 4.584 14.100 214 H GLU 87 H GLU 87 2.448 4.518 8.820 215 HA GLU 87 HA GLU 87 4.556 4.935 10.775 216 HB2 GLU 87 2HB GLU 87 3.965 2.555 8.973 217 HB3 GLU 87 1HB GLU 87 5.257 2.616 10.175 218 HG2 GLU 87 2HG GLU 87 3.307 3.209 11.849 219 HG3 GLU 87 1HG GLU 87 2.279 2.502 10.600 220 H ILE 88 H ILE 88 4.214 5.705 7.527 221 HA ILE 88 HA ILE 88 6.814 5.329 6.503 222 HB ILE 88 HB ILE 88 4.754 7.497 5.880 223 HG12 ILE 88 2HG1 ILE 88 5.382 4.886 4.416 224 HG13 ILE 88 1HG1 ILE 88 4.007 5.140 5.484 225 HG21 ILE 88 1HG2 ILE 88 6.953 8.281 5.123 226 HG22 ILE 88 2HG2 ILE 88 5.962 7.850 3.731 227 HG23 ILE 88 3HG2 ILE 88 7.237 6.759 4.276 228 HD11 ILE 88 3HD1 ILE 88 3.361 5.271 3.173 229 HD12 ILE 88 1HD1 ILE 88 4.508 6.577 2.888 230 HD13 ILE 88 2HD1 ILE 88 3.129 6.827 3.964 231 H ARG 89 H ARG 89 5.465 7.777 8.632 232 HA ARG 89 HA ARG 89 7.565 9.692 8.345 233 HB2 ARG 89 2HB ARG 89 5.237 10.285 8.987 234 HB3 ARG 89 1HB ARG 89 5.459 9.483 10.536 235 HG2 ARG 89 2HG ARG 89 7.179 11.132 11.159 236 HG3 ARG 89 1HG ARG 89 7.013 11.918 9.585 237 HD2 ARG 89 2HD ARG 89 4.593 12.361 10.140 238 HD3 ARG 89 1HD ARG 89 4.894 11.714 11.753 239 HE ARG 89 HE ARG 89 6.671 13.598 11.832 240 HH11 ARG 89 1HH1 ARG 89 3.532 13.882 10.243 241 HH12 ARG 89 2HH1 ARG 89 3.424 15.594 10.495 242 HH21 ARG 89 1HH2 ARG 89 6.500 15.840 12.165 243 HH22 ARG 89 2HH2 ARG 89 5.109 16.702 11.585 244 HA PRO 90 HA PRO 90 9.347 7.914 12.563 245 HB2 PRO 90 2HB PRO 90 8.576 5.301 13.211 246 HB3 PRO 90 1HB PRO 90 7.904 6.771 13.945 247 HG2 PRO 90 2HG PRO 90 6.786 5.103 11.720 248 HG3 PRO 90 1HG PRO 90 5.950 5.860 13.096 249 HD2 PRO 90 2HD PRO 90 5.868 6.950 10.640 250 HD3 PRO 90 1HD PRO 90 5.928 7.966 12.097 251 H THR 91 H THR 91 8.532 5.454 10.040 252 HA THR 91 HA THR 91 10.958 4.108 9.837 253 HB THR 91 HB THR 91 8.965 4.889 7.663 254 HG1 THR 91 HG1 THR 91 7.926 3.217 8.408 255 HG21 THR 91 3HG2 THR 91 11.092 4.382 6.529 256 HG22 THR 91 1HG2 THR 91 9.948 3.061 6.281 257 HG23 THR 91 2HG2 THR 91 11.253 2.889 7.453 258 H TYR 92 H TYR 92 9.934 7.040 8.145 259 HA TYR 92 HA TYR 92 12.240 7.709 6.774 260 HB2 TYR 92 2HB TYR 92 10.114 8.804 6.308 261 HB3 TYR 92 1HB TYR 92 10.063 9.502 7.925 262 HD1 TYR 92 HD2 TYR 92 12.483 9.415 5.030 263 HD2 TYR 92 HD1 TYR 92 10.538 11.800 7.987 264 HE1 TYR 92 HE2 TYR 92 13.649 11.384 4.205 265 HE2 TYR 92 HE1 TYR 92 11.713 13.790 7.155 266 HH TYR 92 HH TYR 92 13.680 14.364 5.913 267 H ALA 93 H ALA 93 11.519 8.085 10.170 268 HA ALA 93 HA ALA 93 13.839 9.825 10.681 269 HB1 ALA 93 3HB ALA 93 12.960 9.932 12.982 270 HB2 ALA 93 1HB ALA 93 11.693 8.775 12.557 271 HB3 ALA 93 2HB ALA 93 11.728 10.368 11.799 272 H GLY 94 H GLY 94 13.837 6.812 9.898 273 HA2 GLY 94 2HA GLY 94 15.519 5.262 10.095 274 HA3 GLY 94 1HA GLY 94 16.175 6.167 11.446 275 H SER 95 H SER 95 12.872 5.440 11.934 276 HA SER 95 HA SER 95 13.498 3.533 14.009 277 HB2 SER 95 2HB SER 95 10.774 4.488 13.050 278 HB3 SER 95 1HB SER 95 11.122 3.658 14.569 279 HG SER 95 HG SER 95 12.669 5.879 14.203 280 H LYS 96 H LYS 96 14.109 1.589 13.285 281 HA LYS 96 HA LYS 96 13.215 0.241 10.972 282 HB2 LYS 96 2HB LYS 96 14.457 -1.730 11.895 283 HB3 LYS 96 1HB LYS 96 15.390 -0.241 11.863 284 HG2 LYS 96 2HG LYS 96 14.998 0.065 14.295 285 HG3 LYS 96 1HG LYS 96 14.077 -1.442 14.324 286 HD2 LYS 96 2HD LYS 96 16.384 -1.801 15.129 287 HD3 LYS 96 1HD LYS 96 16.085 -2.706 13.643 288 HE2 LYS 96 2HE LYS 96 17.248 -0.939 12.347 289 HE3 LYS 96 1HE LYS 96 17.563 -0.055 13.842 290 HZ1 LYS 96 3HZ LYS 96 19.490 -1.291 13.271 291 HZ2 LYS 96 1HZ LYS 96 18.615 -2.725 13.087 292 HZ3 LYS 96 2HZ LYS 96 18.799 -2.036 14.616 293 H SER 97 H SER 97 11.942 0.225 14.238 294 HA SER 97 HA SER 97 10.454 -2.178 14.150 295 HB2 SER 97 2HB SER 97 9.741 0.370 15.668 296 HB3 SER 97 1HB SER 97 9.175 -1.262 16.030 297 HG SER 97 HG SER 97 11.594 -1.680 16.192 298 H ALA 98 H ALA 98 9.613 1.180 13.317 299 HA ALA 98 HA ALA 98 6.991 0.724 12.334 300 HB1 ALA 98 3HB ALA 98 7.200 2.971 11.359 301 HB2 ALA 98 1HB ALA 98 8.944 2.957 11.663 302 HB3 ALA 98 2HB ALA 98 7.809 2.937 13.013 303 H MET 99 H MET 99 10.179 0.771 10.802 304 HA MET 99 HA MET 99 9.390 0.641 8.099 305 HB2 MET 99 2HB MET 99 11.602 1.400 8.873 306 HB3 MET 99 1HB MET 99 11.985 -0.216 9.442 307 HG2 MET 99 2HG MET 99 11.388 0.289 6.526 308 HG3 MET 99 1HG MET 99 12.987 0.596 7.193 309 HE1 MET 99 3HE MET 99 14.003 -3.034 8.404 310 HE2 MET 99 1HE MET 99 13.205 -1.802 9.381 311 HE3 MET 99 2HE MET 99 14.526 -1.354 8.299 312 H GLU 100 H GLU 100 9.940 -1.851 10.507 313 HA GLU 100 HA GLU 100 9.969 -4.134 8.807 314 HB2 GLU 100 2HB GLU 100 10.783 -4.075 11.196 315 HB3 GLU 100 1HB GLU 100 9.114 -3.948 11.736 316 HG2 GLU 100 2HG GLU 100 9.793 -6.227 12.006 317 HG3 GLU 100 1HG GLU 100 8.661 -6.170 10.657 318 H ARG 101 H ARG 101 7.487 -2.502 10.672 319 HA ARG 101 HA ARG 101 5.302 -4.218 9.890 320 HB2 ARG 101 2HB ARG 101 5.222 -1.486 11.239 321 HB3 ARG 101 1HB ARG 101 3.832 -2.548 11.022 322 HG2 ARG 101 2HG ARG 101 5.160 -4.307 12.363 323 HG3 ARG 101 1HG ARG 101 6.259 -2.990 12.781 324 HD2 ARG 101 2HD ARG 101 3.284 -3.098 13.407 325 HD3 ARG 101 1HD ARG 101 4.597 -3.373 14.551 326 HE ARG 101 HE ARG 101 4.735 -0.814 13.267 327 HH11 ARG 101 1HH1 ARG 101 3.282 -2.513 15.993 328 HH12 ARG 101 2HH1 ARG 101 3.026 -1.056 16.901 329 HH21 ARG 101 1HH2 ARG 101 4.339 1.069 14.448 330 HH22 ARG 101 2HH2 ARG 101 3.624 0.968 16.030 331 H LEU 102 H LEU 102 6.730 -1.332 8.614 332 HA LEU 102 HA LEU 102 4.652 -0.526 6.844 333 HB2 LEU 102 2HB LEU 102 6.494 0.963 7.587 334 HB3 LEU 102 1HB LEU 102 7.659 -0.032 6.732 335 HG LEU 102 HG LEU 102 6.744 0.667 4.566 336 HD11 LEU 102 1HD1 LEU 102 4.389 0.871 5.106 337 HD12 LEU 102 2HD1 LEU 102 4.974 2.358 4.372 338 HD13 LEU 102 3HD1 LEU 102 4.705 2.284 6.117 339 HD21 LEU 102 3HD2 LEU 102 7.324 3.054 4.624 340 HD22 LEU 102 1HD2 LEU 102 8.458 2.092 5.570 341 HD23 LEU 102 2HD2 LEU 102 7.219 3.048 6.387 342 H LYS 103 H LYS 103 7.650 -2.459 6.367 343 HA LYS 103 HA LYS 103 7.248 -3.136 3.670 344 HB2 LYS 103 2HB LYS 103 8.777 -4.640 5.825 345 HB3 LYS 103 1HB LYS 103 8.829 -5.068 4.120 346 HG2 LYS 103 2HG LYS 103 9.737 -2.778 3.637 347 HG3 LYS 103 1HG LYS 103 9.811 -2.491 5.375 348 HD2 LYS 103 2HD LYS 103 11.294 -4.714 3.911 349 HD3 LYS 103 1HD LYS 103 12.001 -3.171 4.380 350 HE2 LYS 103 2HE LYS 103 12.710 -4.646 6.061 351 HE3 LYS 103 1HE LYS 103 11.349 -3.817 6.803 352 HZ1 LYS 103 3HZ LYS 103 9.983 -5.775 6.208 353 HZ2 LYS 103 1HZ LYS 103 11.237 -6.129 7.281 354 HZ3 LYS 103 2HZ LYS 103 11.374 -6.549 5.655 355 H ARG 104 H ARG 104 6.309 -4.875 6.640 356 HA ARG 104 HA ARG 104 5.187 -7.152 5.386 357 HB2 ARG 104 2HB ARG 104 5.781 -7.067 7.807 358 HB3 ARG 104 1HB ARG 104 4.441 -5.960 8.098 359 HG2 ARG 104 2HG ARG 104 2.831 -7.691 7.432 360 HG3 ARG 104 1HG ARG 104 4.147 -8.796 7.035 361 HD2 ARG 104 2HD ARG 104 4.833 -8.811 9.415 362 HD3 ARG 104 1HD ARG 104 3.494 -7.723 9.797 363 HE ARG 104 HE ARG 104 2.156 -9.697 8.669 364 HH11 ARG 104 1HH1 ARG 104 4.740 -9.956 11.044 365 HH12 ARG 104 2HH1 ARG 104 4.132 -11.435 11.708 366 HH21 ARG 104 1HH2 ARG 104 1.382 -11.621 9.545 367 HH22 ARG 104 2HH2 ARG 104 2.228 -12.377 10.856 368 H GLY 105 H GLY 105 3.903 -3.970 6.134 369 HA2 GLY 105 2HA GLY 105 1.191 -4.241 5.599 370 HA3 GLY 105 1HA GLY 105 2.149 -2.805 5.246 371 H ILE 106 H ILE 106 3.820 -3.471 3.289 372 HA ILE 106 HA ILE 106 2.214 -3.520 0.954 373 HB ILE 106 HB ILE 106 5.209 -3.594 1.422 374 HG12 ILE 106 2HG1 ILE 106 5.063 -1.429 0.069 375 HG13 ILE 106 1HG1 ILE 106 3.317 -1.596 0.093 376 HG21 ILE 106 1HG2 ILE 106 3.961 -3.785 -1.350 377 HG22 ILE 106 2HG2 ILE 106 4.907 -5.039 -0.555 378 HG23 ILE 106 3HG2 ILE 106 5.668 -3.516 -1.004 379 HD11 ILE 106 3HD1 ILE 106 3.318 -1.331 2.501 380 HD12 ILE 106 1HD1 ILE 106 4.154 0.008 1.712 381 HD13 ILE 106 2HD1 ILE 106 5.083 -1.264 2.509 382 H ILE 107 H ILE 107 4.050 -6.080 2.582 383 HA ILE 107 HA ILE 107 3.957 -8.072 0.590 384 HB ILE 107 HB ILE 107 4.033 -8.316 3.630 385 HG12 ILE 107 2HG1 ILE 107 6.237 -8.601 1.526 386 HG13 ILE 107 1HG1 ILE 107 6.005 -7.212 2.581 387 HG21 ILE 107 1HG2 ILE 107 3.105 -10.410 2.741 388 HG22 ILE 107 2HG2 ILE 107 4.744 -10.679 3.330 389 HG23 ILE 107 3HG2 ILE 107 4.441 -10.544 1.597 390 HD11 ILE 107 3HD1 ILE 107 6.476 -8.641 4.526 391 HD12 ILE 107 1HD1 ILE 107 7.809 -8.578 3.373 392 HD13 ILE 107 2HD1 ILE 107 6.767 -9.999 3.433 393 H HIS 108 H HIS 108 1.824 -7.653 3.398 394 HA HIS 108 HA HIS 108 -0.124 -9.557 2.630 395 HB2 HIS 108 2HB HIS 108 0.181 -8.611 4.969 396 HB3 HIS 108 1HB HIS 108 -0.657 -7.158 4.434 397 HD1 HIS 108 HD1 HIS 108 -2.935 -7.304 5.494 398 HD2 HIS 108 HD2 HIS 108 -1.733 -10.941 3.899 399 HE1 HIS 108 HE1 HIS 108 -4.876 -8.861 5.807 400 HE2 HIS 108 HE2 HIS 108 -4.200 -10.958 4.616 401 H ALA 109 H ALA 109 0.165 -6.105 1.943 402 HA ALA 109 HA ALA 109 -2.511 -5.649 1.097 403 HB1 ALA 109 3HB ALA 109 -1.082 -3.817 1.860 404 HB2 ALA 109 1HB ALA 109 -1.655 -3.503 0.221 405 HB3 ALA 109 2HB ALA 109 0.002 -4.056 0.490 406 H ARG 110 H ARG 110 0.487 -6.436 -0.617 407 HA ARG 110 HA ARG 110 -0.555 -6.211 -3.257 408 HB2 ARG 110 2HB ARG 110 1.553 -6.844 -4.000 409 HB3 ARG 110 1HB ARG 110 1.965 -6.305 -2.386 410 HG2 ARG 110 2HG ARG 110 1.862 -8.718 -1.639 411 HG3 ARG 110 1HG ARG 110 1.650 -9.172 -3.331 412 HD2 ARG 110 2HD ARG 110 3.956 -9.447 -2.794 413 HD3 ARG 110 1HD ARG 110 3.837 -8.022 -3.826 414 HE ARG 110 HE ARG 110 3.714 -7.080 -1.239 415 HH11 ARG 110 1HH1 ARG 110 6.075 -8.851 -3.153 416 HH12 ARG 110 2HH1 ARG 110 7.427 -8.245 -2.257 417 HH21 ARG 110 1HH2 ARG 110 5.493 -6.397 -0.004 418 HH22 ARG 110 2HH2 ARG 110 7.094 -6.853 -0.474 419 H ALA 111 H ALA 111 -0.449 -8.758 -0.855 420 HA ALA 111 HA ALA 111 -1.106 -10.965 -2.539 421 HB1 ALA 111 3HB ALA 111 -1.418 -10.644 0.465 422 HB2 ALA 111 1HB ALA 111 0.005 -11.267 -0.369 423 HB3 ALA 111 2HB ALA 111 -1.511 -12.169 -0.425 424 H LEU 112 H LEU 112 -2.925 -8.713 -0.544 425 HA LEU 112 HA LEU 112 -5.498 -9.837 -0.768 426 HB2 LEU 112 2HB LEU 112 -4.610 -6.979 -0.259 427 HB3 LEU 112 1HB LEU 112 -6.295 -7.474 -0.185 428 HG LEU 112 HG LEU 112 -4.123 -8.688 1.581 429 HD11 LEU 112 1HD1 LEU 112 -6.089 -6.503 2.327 430 HD12 LEU 112 2HD1 LEU 112 -4.352 -6.294 2.088 431 HD13 LEU 112 3HD1 LEU 112 -4.942 -7.300 3.408 432 HD21 LEU 112 3HD2 LEU 112 -6.009 -9.537 2.919 433 HD22 LEU 112 1HD2 LEU 112 -6.068 -10.149 1.267 434 HD23 LEU 112 2HD2 LEU 112 -7.155 -8.850 1.765 435 H VAL 113 H VAL 113 -3.759 -7.576 -2.899 436 HA VAL 113 HA VAL 113 -6.054 -7.103 -4.602 437 HB VAL 113 HB VAL 113 -3.150 -6.524 -5.368 438 HG11 VAL 113 1HG1 VAL 113 -5.784 -5.259 -6.257 439 HG12 VAL 113 2HG1 VAL 113 -4.769 -6.344 -7.212 440 HG13 VAL 113 3HG1 VAL 113 -4.174 -4.743 -6.771 441 HG21 VAL 113 3HG2 VAL 113 -5.006 -4.695 -3.795 442 HG22 VAL 113 1HG2 VAL 113 -3.405 -4.271 -4.411 443 HG23 VAL 113 2HG2 VAL 113 -3.573 -5.505 -3.162 444 H ARG 114 H ARG 114 -3.075 -9.114 -4.824 445 HA ARG 114 HA ARG 114 -3.484 -9.846 -7.545 446 HB2 ARG 114 2HB ARG 114 -1.619 -11.406 -7.318 447 HB3 ARG 114 1HB ARG 114 -1.229 -9.838 -6.619 448 HG2 ARG 114 2HG ARG 114 -1.603 -10.729 -4.364 449 HG3 ARG 114 1HG ARG 114 -2.032 -12.301 -5.043 450 HD2 ARG 114 2HD ARG 114 0.305 -12.198 -4.192 451 HD3 ARG 114 1HD ARG 114 0.202 -12.605 -5.907 452 HE ARG 114 HE ARG 114 0.600 -9.784 -5.369 453 HH11 ARG 114 1HH1 ARG 114 2.219 -12.857 -5.892 454 HH12 ARG 114 2HH1 ARG 114 3.703 -12.126 -6.406 455 HH21 ARG 114 1HH2 ARG 114 2.563 -8.842 -6.097 456 HH22 ARG 114 2HH2 ARG 114 3.894 -9.867 -6.521 457 H GLU 115 H GLU 115 -4.288 -11.480 -4.509 458 HA GLU 115 HA GLU 115 -5.333 -13.841 -5.723 459 HB2 GLU 115 2HB GLU 115 -6.014 -12.630 -3.013 460 HB3 GLU 115 1HB GLU 115 -6.418 -14.263 -3.531 461 HG2 GLU 115 2HG GLU 115 -3.688 -13.119 -2.911 462 HG3 GLU 115 1HG GLU 115 -4.517 -14.458 -2.121 463 H CYS 116 H CYS 116 -6.699 -10.688 -4.982 464 HA CYS 116 HA CYS 116 -9.439 -11.401 -5.485 465 HB2 CYS 116 2HB CYS 116 -8.823 -9.507 -4.027 466 HB3 CYS 116 1HB CYS 116 -8.148 -8.654 -5.410 467 HG CYS 116 HG CYS 116 -10.805 -8.832 -6.697 468 H LEU 117 H LEU 117 -6.736 -10.421 -7.501 469 HA LEU 117 HA LEU 117 -7.908 -9.457 -9.812 470 HB2 LEU 117 2HB LEU 117 -5.612 -11.456 -9.674 471 HB3 LEU 117 1HB LEU 117 -6.056 -10.551 -11.113 472 HG LEU 117 HG LEU 117 -4.878 -9.423 -8.550 473 HD11 LEU 117 1HD1 LEU 117 -3.241 -10.587 -9.930 474 HD12 LEU 117 2HD1 LEU 117 -2.948 -8.852 -9.976 475 HD13 LEU 117 3HD1 LEU 117 -3.723 -9.650 -11.348 476 HD21 LEU 117 3HD2 LEU 117 -5.693 -7.902 -11.032 477 HD22 LEU 117 1HD2 LEU 117 -4.822 -7.247 -9.644 478 HD23 LEU 117 2HD2 LEU 117 -6.474 -7.823 -9.453 479 H ALA 118 H ALA 118 -7.879 -12.746 -8.593 480 HA ALA 118 HA ALA 118 -8.446 -14.260 -10.842 481 HB1 ALA 118 3HB ALA 118 -9.247 -15.986 -9.293 482 HB2 ALA 118 1HB ALA 118 -9.384 -14.782 -8.003 483 HB3 ALA 118 2HB ALA 118 -7.801 -15.200 -8.657 484 H GLU 119 H GLU 119 -10.817 -12.872 -8.533 485 HA GLU 119 HA GLU 119 -13.073 -13.729 -10.156 486 HB2 GLU 119 2HB GLU 119 -14.432 -12.835 -8.318 487 HB3 GLU 119 1HB GLU 119 -13.166 -13.896 -7.713 488 HG2 GLU 119 2HG GLU 119 -11.816 -11.874 -7.104 489 HG3 GLU 119 1HG GLU 119 -13.166 -10.858 -7.608 490 H THR 120 H THR 120 -11.280 -10.776 -9.532 491 HA THR 120 HA THR 120 -13.193 -8.901 -10.550 492 HB THR 120 HB THR 120 -10.167 -8.530 -10.300 493 HG1 THR 120 HG1 THR 120 -12.269 -8.414 -8.404 494 HG21 THR 120 3HG2 THR 120 -10.732 -6.148 -9.981 495 HG22 THR 120 1HG2 THR 120 -12.444 -6.506 -10.220 496 HG23 THR 120 2HG2 THR 120 -11.301 -6.714 -11.550 497 H GLU 121 H GLU 121 -10.690 -10.856 -11.921 498 HA GLU 121 HA GLU 121 -10.261 -9.823 -14.458 499 HB2 GLU 121 2HB GLU 121 -9.049 -11.720 -13.350 500 HB3 GLU 121 1HB GLU 121 -10.427 -12.768 -13.671 501 HG2 GLU 121 2HG GLU 121 -10.075 -12.563 -16.063 502 HG3 GLU 121 1HG GLU 121 -8.803 -11.362 -15.806 503 H ARG 122 H ARG 122 -12.789 -11.987 -13.282 504 HA ARG 122 HA ARG 122 -14.087 -12.421 -15.791 505 HB2 ARG 122 2HB ARG 122 -14.247 -13.936 -13.777 506 HB3 ARG 122 1HB ARG 122 -15.231 -12.712 -12.980 507 HG2 ARG 122 2HG ARG 122 -16.841 -12.930 -14.979 508 HG3 ARG 122 1HG ARG 122 -15.925 -14.371 -15.426 509 HD2 ARG 122 2HD ARG 122 -17.486 -13.892 -12.875 510 HD3 ARG 122 1HD ARG 122 -17.861 -15.047 -14.152 511 HE ARG 122 HE ARG 122 -15.789 -16.250 -13.494 512 HH11 ARG 122 1HH1 ARG 122 -17.297 -14.127 -11.130 513 HH12 ARG 122 2HH1 ARG 122 -16.631 -14.973 -9.773 514 HH21 ARG 122 1HH2 ARG 122 -14.927 -17.349 -11.701 515 HH22 ARG 122 2HH2 ARG 122 -15.288 -16.803 -10.095 516 H ASN 123 H ASN 123 -14.529 -10.179 -13.070 517 HA ASN 123 HA ASN 123 -16.978 -9.016 -14.014 518 HB2 ASN 123 2HB ASN 123 -16.305 -9.094 -11.584 519 HB3 ASN 123 1HB ASN 123 -15.036 -7.917 -11.923 520 HD21 ASN 123 1HD2 ASN 123 -15.897 -6.322 -10.593 521 HD22 ASN 123 2HD2 ASN 123 -17.381 -5.507 -10.937 522 H ALA 124 H ALA 124 -16.477 -8.447 -16.135 523 HA ALA 124 HA ALA 124 -14.373 -6.599 -16.835 524 HB1 ALA 124 3HB ALA 124 -15.032 -8.380 -18.391 525 HB2 ALA 124 1HB ALA 124 -15.290 -6.794 -19.122 526 HB3 ALA 124 2HB ALA 124 -16.662 -7.713 -18.498 527 H ARG 125 H ARG 125 -14.684 -4.636 -15.922 528 HA ARG 125 HA ARG 125 -17.205 -3.154 -16.408 529 HB2 ARG 125 2HB ARG 125 -14.958 -2.500 -14.455 530 HB3 ARG 125 1HB ARG 125 -16.497 -1.659 -14.594 531 HG2 ARG 125 2HG ARG 125 -17.688 -3.657 -13.804 532 HG3 ARG 125 1HG ARG 125 -16.166 -4.553 -13.726 533 HD2 ARG 125 2HD ARG 125 -16.820 -3.782 -11.499 534 HD3 ARG 125 1HD ARG 125 -15.329 -2.982 -12.009 535 HE ARG 125 HE ARG 125 -17.889 -1.604 -12.427 536 HH11 ARG 125 1HH1 ARG 125 -14.877 -1.759 -10.613 537 HH12 ARG 125 2HH1 ARG 125 -15.071 -0.164 -9.960 538 HH21 ARG 125 1HH2 ARG 125 -18.130 0.458 -11.529 539 HH22 ARG 125 2HH2 ARG 125 -16.900 1.085 -10.473 540 H THR 126 H THR 126 -13.648 -2.796 -16.459 541 HA THR 126 HA THR 126 -13.873 -0.598 -18.430 542 HB THR 126 HB THR 126 -11.464 -1.331 -16.699 543 HG1 THR 126 HG1 THR 126 -12.800 -0.498 -15.248 544 HG21 THR 126 3HG2 THR 126 -10.606 0.893 -17.342 545 HG22 THR 126 1HG2 THR 126 -12.021 1.162 -18.363 546 HG23 THR 126 2HG2 THR 126 -10.859 -0.102 -18.774 547 H1 SER 58 1H SER 58 8.093 -10.998 5.718 548 H2 SER 58 2H SER 58 9.002 -11.962 6.762 549 H3 SER 58 3H SER 58 7.316 -12.033 6.793 550 HA SER 58 HA SER 58 9.003 -12.811 4.509 551 HB2 SER 58 2HB SER 58 9.235 -14.344 6.477 552 HB3 SER 58 1HB SER 58 7.486 -14.561 6.501 553 HG SER 58 HG SER 58 8.755 -16.216 5.377 554 H HIS 59 H HIS 59 7.615 -14.255 3.018 555 HA HIS 59 HA HIS 59 4.798 -13.361 2.875 556 HB2 HIS 59 2HB HIS 59 5.074 -13.253 0.337 557 HB3 HIS 59 1HB HIS 59 5.826 -11.959 1.251 558 HD1 HIS 59 HD1 HIS 59 8.401 -11.785 1.164 559 HD2 HIS 59 HD2 HIS 59 6.869 -14.939 -1.063 560 HE1 HIS 59 HE1 HIS 59 10.292 -12.565 -0.292 561 HE2 HIS 59 HE2 HIS 59 9.395 -14.592 -1.467 562 H MET 60 H MET 60 4.102 -15.291 3.724 563 HA MET 60 HA MET 60 4.667 -17.870 2.599 564 HB2 MET 60 2HB MET 60 2.299 -16.942 4.294 565 HB3 MET 60 1HB MET 60 2.650 -18.622 3.889 566 HG2 MET 60 2HG MET 60 3.404 -18.166 6.131 567 HG3 MET 60 1HG MET 60 4.813 -18.432 5.100 568 HE1 MET 60 3HE MET 60 5.145 -17.166 7.947 569 HE2 MET 60 1HE MET 60 6.177 -15.771 7.633 570 HE3 MET 60 2HE MET 60 6.506 -17.307 6.832 571 H ALA 61 H ALA 61 2.372 -15.310 1.933 572 HA ALA 61 HA ALA 61 0.800 -16.575 -0.061 573 HB1 ALA 61 3HB ALA 61 0.147 -14.445 0.995 574 HB2 ALA 61 1HB ALA 61 0.254 -14.263 -0.757 575 HB3 ALA 61 2HB ALA 61 1.546 -13.644 0.275 576 H MET 62 H MET 62 2.083 -17.759 -1.445 577 HA MET 62 HA MET 62 4.093 -16.350 -3.119 578 HB2 MET 62 2HB MET 62 3.955 -19.329 -2.450 579 HB3 MET 62 1HB MET 62 5.184 -18.542 -3.434 580 HG2 MET 62 2HG MET 62 6.004 -17.313 -1.508 581 HG3 MET 62 1HG MET 62 4.701 -17.965 -0.507 582 HE1 MET 62 3HE MET 62 7.703 -19.863 1.029 583 HE2 MET 62 1HE MET 62 6.249 -18.918 1.349 584 HE3 MET 62 2HE MET 62 7.625 -18.173 0.532 585 H LYS 63 H LYS 63 2.790 -15.690 -4.706 586 HA LYS 63 HA LYS 63 2.070 -17.463 -6.797 587 HB2 LYS 63 2HB LYS 63 0.051 -17.861 -5.573 588 HB3 LYS 63 1HB LYS 63 -0.130 -16.166 -5.143 589 HG2 LYS 63 2HG LYS 63 -0.789 -15.583 -7.377 590 HG3 LYS 63 1HG LYS 63 -0.376 -17.188 -7.990 591 HD2 LYS 63 2HD LYS 63 -2.251 -18.204 -6.967 592 HD3 LYS 63 1HD LYS 63 -2.467 -16.880 -5.816 593 HE2 LYS 63 2HE LYS 63 -2.957 -16.653 -8.803 594 HE3 LYS 63 1HE LYS 63 -4.207 -16.925 -7.588 595 HZ1 LYS 63 3HZ LYS 63 -2.483 -14.532 -7.880 596 HZ2 LYS 63 1HZ LYS 63 -3.457 -14.814 -6.526 597 HZ3 LYS 63 2HZ LYS 63 -4.159 -14.624 -8.050 598 HA PRO 64 HA PRO 64 3.599 -13.322 -8.244 599 HB2 PRO 64 2HB PRO 64 3.846 -15.087 -10.699 600 HB3 PRO 64 1HB PRO 64 4.992 -13.895 -10.042 601 HG2 PRO 64 2HG PRO 64 5.458 -16.466 -9.691 602 HG3 PRO 64 1HG PRO 64 5.732 -15.332 -8.346 603 HD2 PRO 64 2HD PRO 64 3.425 -17.223 -8.783 604 HD3 PRO 64 1HD PRO 64 4.291 -16.821 -7.280 605 HA PRO 65 HA PRO 65 -0.114 -11.921 -10.433 606 HB2 PRO 65 2HB PRO 65 1.731 -10.143 -12.018 607 HB3 PRO 65 1HB PRO 65 0.329 -9.712 -11.013 608 HG2 PRO 65 2HG PRO 65 2.792 -9.208 -10.155 609 HG3 PRO 65 1HG PRO 65 1.546 -9.788 -9.024 610 HD2 PRO 65 2HD PRO 65 3.780 -11.341 -10.330 611 HD3 PRO 65 1HD PRO 65 3.206 -11.383 -8.644 612 H GLY 66 H GLY 66 -0.504 -13.861 -11.543 613 HA2 GLY 66 2HA GLY 66 0.466 -14.071 -14.348 614 HA3 GLY 66 1HA GLY 66 -0.013 -15.434 -13.343 615 H ALA 67 H ALA 67 -1.842 -12.518 -13.165 616 HA ALA 67 HA ALA 67 -4.220 -13.751 -14.321 617 HB1 ALA 67 3HB ALA 67 -4.398 -12.440 -12.244 618 HB2 ALA 67 1HB ALA 67 -5.339 -11.685 -13.531 619 HB3 ALA 67 2HB ALA 67 -3.772 -11.009 -13.066 620 H GLN 68 H GLN 68 -5.147 -13.128 -16.293 621 HA GLN 68 HA GLN 68 -3.605 -11.612 -18.202 622 HB2 GLN 68 2HB GLN 68 -5.547 -11.917 -19.731 623 HB3 GLN 68 1HB GLN 68 -5.036 -13.438 -19.010 624 HG2 GLN 68 2HG GLN 68 -6.906 -13.344 -17.433 625 HG3 GLN 68 1HG GLN 68 -7.397 -11.783 -18.083 626 HE21 GLN 68 1HE2 GLN 68 -9.462 -12.692 -18.491 627 HE22 GLN 68 2HE2 GLN 68 -9.742 -13.731 -19.844 628 H GLY 69 H GLY 69 -4.527 -9.670 -19.330 629 HA2 GLY 69 2HA GLY 69 -4.847 -7.631 -17.334 630 HA3 GLY 69 1HA GLY 69 -4.680 -7.393 -19.062 631 H SER 70 H SER 70 -7.303 -9.415 -17.926 632 HA SER 70 HA SER 70 -9.352 -7.784 -18.991 633 HB2 SER 70 2HB SER 70 -9.560 -10.079 -17.004 634 HB3 SER 70 1HB SER 70 -10.898 -9.408 -17.939 635 HG SER 70 HG SER 70 -10.304 -10.592 -19.549 636 H GLN 71 H GLN 71 -7.752 -7.776 -15.914 637 HA GLN 71 HA GLN 71 -9.667 -5.766 -14.877 638 HB2 GLN 71 2HB GLN 71 -9.551 -6.639 -12.681 639 HB3 GLN 71 1HB GLN 71 -9.755 -8.056 -13.691 640 HG2 GLN 71 2HG GLN 71 -7.177 -7.130 -12.388 641 HG3 GLN 71 1HG GLN 71 -8.186 -8.480 -11.875 642 HE21 GLN 71 1HE2 GLN 71 -7.949 -10.443 -12.916 643 HE22 GLN 71 2HE2 GLN 71 -6.758 -10.759 -14.128 644 H SER 72 H SER 72 -7.168 -5.458 -16.468 645 HA SER 72 HA SER 72 -4.852 -4.937 -15.082 646 HB2 SER 72 2HB SER 72 -4.989 -4.991 -17.533 647 HB3 SER 72 1HB SER 72 -5.885 -3.473 -17.538 648 HG SER 72 HG SER 72 -4.007 -2.551 -17.612 649 H THR 73 H THR 73 -7.437 -2.576 -15.727 650 HA THR 73 HA THR 73 -6.479 -0.297 -14.475 651 HB THR 73 HB THR 73 -8.535 -0.194 -15.700 652 HG1 THR 73 HG1 THR 73 -9.354 0.225 -13.003 653 HG21 THR 73 3HG2 THR 73 -9.736 -2.084 -13.646 654 HG22 THR 73 1HG2 THR 73 -9.381 -2.457 -15.334 655 HG23 THR 73 2HG2 THR 73 -10.631 -1.278 -14.935 656 H TYR 74 H TYR 74 -7.984 -3.105 -12.925 657 HA TYR 74 HA TYR 74 -7.815 -2.084 -10.223 658 HB2 TYR 74 2HB TYR 74 -9.641 -3.589 -10.818 659 HB3 TYR 74 1HB TYR 74 -8.515 -4.821 -11.377 660 HD1 TYR 74 HD1 TYR 74 -9.640 -2.999 -8.315 661 HD2 TYR 74 HD2 TYR 74 -7.714 -6.473 -9.855 662 HE1 TYR 74 HE1 TYR 74 -9.619 -3.991 -6.078 663 HE2 TYR 74 HE2 TYR 74 -7.692 -7.467 -7.613 664 HH TYR 74 HH TYR 74 -9.514 -6.362 -5.112 665 H THR 75 H THR 75 -5.921 -4.273 -12.287 666 HA THR 75 HA THR 75 -4.115 -5.250 -10.330 667 HB THR 75 HB THR 75 -3.493 -4.958 -13.309 668 HG1 THR 75 HG1 THR 75 -4.451 -7.269 -13.132 669 HG21 THR 75 3HG2 THR 75 -1.619 -5.790 -11.910 670 HG22 THR 75 1HG2 THR 75 -2.226 -7.057 -12.979 671 HG23 THR 75 2HG2 THR 75 -2.657 -7.065 -11.268 672 H ASP 76 H ASP 76 -4.384 -2.235 -11.989 673 HA ASP 76 HA ASP 76 -1.838 -1.125 -11.788 674 HB2 ASP 76 2HB ASP 76 -3.977 -0.077 -12.808 675 HB3 ASP 76 1HB ASP 76 -4.409 0.414 -11.177 676 H LEU 77 H LEU 77 -4.405 -1.493 -9.374 677 HA LEU 77 HA LEU 77 -3.243 -0.125 -7.213 678 HB2 LEU 77 2HB LEU 77 -5.584 -0.746 -7.198 679 HB3 LEU 77 1HB LEU 77 -5.192 -2.454 -7.298 680 HG LEU 77 HG LEU 77 -4.296 -2.414 -4.998 681 HD11 LEU 77 1HD1 LEU 77 -3.421 -0.130 -4.909 682 HD12 LEU 77 2HD1 LEU 77 -4.494 -0.449 -3.551 683 HD13 LEU 77 3HD1 LEU 77 -5.063 0.519 -4.912 684 HD21 LEU 77 3HD2 LEU 77 -6.411 -2.066 -3.797 685 HD22 LEU 77 1HD2 LEU 77 -6.675 -2.907 -5.323 686 HD23 LEU 77 2HD2 LEU 77 -7.071 -1.192 -5.182 687 H LEU 78 H LEU 78 -3.031 -3.571 -8.174 688 HA LEU 78 HA LEU 78 -1.356 -4.547 -6.146 689 HB2 LEU 78 2HB LEU 78 -2.444 -6.052 -7.711 690 HB3 LEU 78 1HB LEU 78 -1.596 -5.342 -9.072 691 HG LEU 78 HG LEU 78 0.551 -6.285 -8.219 692 HD11 LEU 78 1HD1 LEU 78 -1.130 -7.615 -6.075 693 HD12 LEU 78 2HD1 LEU 78 0.076 -6.351 -5.827 694 HD13 LEU 78 3HD1 LEU 78 0.577 -7.936 -6.406 695 HD21 LEU 78 3HD2 LEU 78 -0.721 -7.544 -9.869 696 HD22 LEU 78 1HD2 LEU 78 -1.647 -8.340 -8.593 697 HD23 LEU 78 2HD2 LEU 78 0.085 -8.640 -8.751 698 H SER 79 H SER 79 -0.590 -2.929 -9.197 699 HA SER 79 HA SER 79 2.205 -3.067 -9.124 700 HB2 SER 79 2HB SER 79 0.976 -2.377 -11.145 701 HB3 SER 79 1HB SER 79 0.442 -0.900 -10.343 702 HG SER 79 HG SER 79 2.192 -0.215 -11.375 703 H VAL 80 H VAL 80 -0.015 -0.509 -7.957 704 HA VAL 80 HA VAL 80 1.818 1.374 -7.049 705 HB VAL 80 HB VAL 80 -0.900 0.793 -5.762 706 HG11 VAL 80 1HG1 VAL 80 -0.844 3.165 -5.035 707 HG12 VAL 80 2HG1 VAL 80 0.780 3.340 -5.707 708 HG13 VAL 80 3HG1 VAL 80 0.502 2.250 -4.345 709 HG21 VAL 80 3HG2 VAL 80 -1.124 1.182 -8.174 710 HG22 VAL 80 1HG2 VAL 80 -0.229 2.693 -8.039 711 HG23 VAL 80 2HG2 VAL 80 -1.806 2.521 -7.263 712 H ILE 81 H ILE 81 0.407 -1.391 -5.318 713 HA ILE 81 HA ILE 81 1.314 -0.933 -2.768 714 HB ILE 81 HB ILE 81 1.179 -3.707 -4.019 715 HG12 ILE 81 2HG1 ILE 81 -0.968 -2.635 -4.426 716 HG13 ILE 81 1HG1 ILE 81 -1.179 -3.797 -3.131 717 HG21 ILE 81 1HG2 ILE 81 0.686 -4.424 -1.681 718 HG22 ILE 81 2HG2 ILE 81 0.968 -2.773 -1.134 719 HG23 ILE 81 3HG2 ILE 81 2.282 -3.700 -1.853 720 HD11 ILE 81 3HD1 ILE 81 -2.431 -1.788 -2.690 721 HD12 ILE 81 1HD1 ILE 81 -0.977 -0.799 -2.833 722 HD13 ILE 81 2HD1 ILE 81 -1.138 -1.947 -1.503 723 H GLU 82 H GLU 82 2.991 -2.663 -5.358 724 HA GLU 82 HA GLU 82 5.374 -3.085 -3.738 725 HB2 GLU 82 2HB GLU 82 4.732 -3.833 -6.615 726 HB3 GLU 82 1HB GLU 82 6.172 -4.344 -5.724 727 HG2 GLU 82 2HG GLU 82 4.769 -5.519 -4.074 728 HG3 GLU 82 1HG GLU 82 3.314 -4.959 -4.899 729 H GLU 83 H GLU 83 4.284 -0.725 -6.041 730 HA GLU 83 HA GLU 83 6.851 0.332 -6.762 731 HB2 GLU 83 2HB GLU 83 4.106 1.673 -6.767 732 HB3 GLU 83 1HB GLU 83 5.564 2.390 -7.447 733 HG2 GLU 83 2HG GLU 83 4.264 -0.177 -8.405 734 HG3 GLU 83 1HG GLU 83 4.096 1.398 -9.169 735 H MET 84 H MET 84 4.542 0.946 -4.113 736 HA MET 84 HA MET 84 6.242 2.959 -2.908 737 HB2 MET 84 2HB MET 84 4.548 3.342 -1.366 738 HB3 MET 84 1HB MET 84 3.593 2.680 -2.674 739 HG2 MET 84 2HG MET 84 4.465 0.597 -0.818 740 HG3 MET 84 1HG MET 84 3.564 1.862 -0.007 741 HE1 MET 84 3HE MET 84 0.902 2.095 -0.210 742 HE2 MET 84 1HE MET 84 0.037 1.533 -1.638 743 HE3 MET 84 2HE MET 84 1.273 2.783 -1.791 744 H GLY 85 H GLY 85 5.778 -0.503 -2.745 745 HA2 GLY 85 2HA GLY 85 6.960 -1.181 -0.322 746 HA3 GLY 85 1HA GLY 85 6.891 -2.210 -1.735 747 H LYS 86 H LYS 86 8.537 -0.285 -3.322 748 HA LYS 86 HA LYS 86 11.175 -1.185 -2.409 749 HB2 LYS 86 2HB LYS 86 11.972 -0.437 -4.605 750 HB3 LYS 86 1HB LYS 86 10.560 -1.471 -4.778 751 HG2 LYS 86 2HG LYS 86 9.156 0.613 -5.052 752 HG3 LYS 86 1HG LYS 86 10.653 1.549 -5.077 753 HD2 LYS 86 2HD LYS 86 9.857 -0.623 -7.063 754 HD3 LYS 86 1HD LYS 86 9.846 1.117 -7.364 755 HE2 LYS 86 2HE LYS 86 12.295 1.192 -7.105 756 HE3 LYS 86 1HE LYS 86 12.324 -0.535 -6.743 757 HZ1 LYS 86 3HZ LYS 86 12.908 -0.118 -9.042 758 HZ2 LYS 86 1HZ LYS 86 11.443 0.681 -9.303 759 HZ3 LYS 86 2HZ LYS 86 11.452 -0.968 -8.961 760 H GLU 87 H GLU 87 9.229 1.687 -2.416 761 HA GLU 87 HA GLU 87 11.345 3.629 -2.165 762 HB2 GLU 87 2HB GLU 87 8.351 3.834 -1.652 763 HB3 GLU 87 1HB GLU 87 9.455 5.205 -1.588 764 HG2 GLU 87 2HG GLU 87 8.963 3.492 -4.042 765 HG3 GLU 87 1HG GLU 87 8.181 5.037 -3.719 766 H ILE 88 H ILE 88 9.959 1.428 0.005 767 HA ILE 88 HA ILE 88 9.890 2.828 2.432 768 HB ILE 88 HB ILE 88 10.472 -0.128 1.942 769 HG12 ILE 88 2HG1 ILE 88 7.822 1.271 2.567 770 HG13 ILE 88 1HG1 ILE 88 8.304 0.683 0.978 771 HG21 ILE 88 1HG2 ILE 88 11.156 0.466 4.219 772 HG22 ILE 88 2HG2 ILE 88 9.683 -0.499 4.279 773 HG23 ILE 88 3HG2 ILE 88 9.603 1.248 4.516 774 HD11 ILE 88 3HD1 ILE 88 6.790 -0.855 1.984 775 HD12 ILE 88 1HD1 ILE 88 7.792 -0.987 3.427 776 HD13 ILE 88 2HD1 ILE 88 8.377 -1.605 1.879 777 H ARG 89 H ARG 89 12.579 1.157 0.801 778 HA ARG 89 HA ARG 89 14.390 1.251 2.988 779 HB2 ARG 89 2HB ARG 89 14.588 -0.450 1.249 780 HB3 ARG 89 1HB ARG 89 14.908 0.762 0.023 781 HG2 ARG 89 2HG ARG 89 16.789 0.503 2.372 782 HG3 ARG 89 1HG ARG 89 16.868 -0.672 1.063 783 HD2 ARG 89 2HD ARG 89 17.225 2.332 0.781 784 HD3 ARG 89 1HD ARG 89 18.508 1.120 0.739 785 HE ARG 89 HE ARG 89 16.992 0.248 -1.247 786 HH11 ARG 89 1HH1 ARG 89 18.014 3.555 -0.611 787 HH12 ARG 89 2HH1 ARG 89 17.982 4.000 -2.288 788 HH21 ARG 89 1HH2 ARG 89 16.932 0.865 -3.432 789 HH22 ARG 89 2HH2 ARG 89 17.372 2.486 -3.876 790 HA PRO 90 HA PRO 90 16.451 5.150 0.877 791 HB2 PRO 90 2HB PRO 90 14.877 6.615 -0.898 792 HB3 PRO 90 1HB PRO 90 16.101 5.425 -1.382 793 HG2 PRO 90 2HG PRO 90 13.129 5.090 -1.177 794 HG3 PRO 90 1HG PRO 90 14.254 4.480 -2.415 795 HD2 PRO 90 2HD PRO 90 13.294 2.892 -0.449 796 HD3 PRO 90 1HD PRO 90 14.931 2.687 -1.107 797 H THR 91 H THR 91 12.877 5.330 1.273 798 HA THR 91 HA THR 91 12.622 7.757 2.642 799 HB THR 91 HB THR 91 11.104 5.136 3.008 800 HG1 THR 91 HG1 THR 91 10.083 5.804 1.299 801 HG21 THR 91 3HG2 THR 91 10.743 6.466 5.049 802 HG22 THR 91 1HG2 THR 91 9.284 6.480 4.057 803 HG23 THR 91 2HG2 THR 91 10.348 7.887 4.082 804 H TYR 92 H TYR 92 13.174 4.522 3.945 805 HA TYR 92 HA TYR 92 13.453 5.099 6.649 806 HB2 TYR 92 2HB TYR 92 13.094 2.823 5.789 807 HB3 TYR 92 1HB TYR 92 14.669 2.839 4.999 808 HD1 TYR 92 HD2 TYR 92 13.216 3.385 8.428 809 HD2 TYR 92 HD1 TYR 92 16.398 1.710 6.126 810 HE1 TYR 92 HE2 TYR 92 14.224 2.501 10.464 811 HE2 TYR 92 HE1 TYR 92 17.406 0.822 8.177 812 HH TYR 92 HH TYR 92 17.369 1.356 10.617 813 H ALA 93 H ALA 93 15.730 5.437 4.008 814 HA ALA 93 HA ALA 93 18.056 5.772 5.753 815 HB1 ALA 93 3HB ALA 93 17.805 5.920 2.732 816 HB2 ALA 93 1HB ALA 93 18.280 4.499 3.663 817 HB3 ALA 93 2HB ALA 93 19.315 5.929 3.651 818 H GLY 94 H GLY 94 15.611 7.711 5.425 819 HA2 GLY 94 2HA GLY 94 15.432 9.897 6.083 820 HA3 GLY 94 1HA GLY 94 17.171 10.071 5.943 821 H SER 95 H SER 95 15.769 8.852 3.050 822 HA SER 95 HA SER 95 16.147 11.395 1.691 823 HB2 SER 95 2HB SER 95 15.211 8.723 0.556 824 HB3 SER 95 1HB SER 95 15.779 10.117 -0.371 825 HG SER 95 HG SER 95 17.534 9.328 1.579 826 H LYS 96 H LYS 96 14.571 12.886 1.924 827 HA LYS 96 HA LYS 96 11.796 12.398 2.306 828 HB2 LYS 96 2HB LYS 96 11.487 14.821 2.049 829 HB3 LYS 96 1HB LYS 96 12.874 14.477 3.074 830 HG2 LYS 96 2HG LYS 96 14.411 14.980 1.227 831 HG3 LYS 96 1HG LYS 96 13.044 15.257 0.141 832 HD2 LYS 96 2HD LYS 96 12.323 17.174 1.556 833 HD3 LYS 96 1HD LYS 96 13.705 16.897 2.624 834 HE2 LYS 96 2HE LYS 96 14.128 18.734 1.023 835 HE3 LYS 96 1HE LYS 96 15.253 17.396 0.787 836 HZ1 LYS 96 3HZ LYS 96 14.349 18.305 -1.293 837 HZ2 LYS 96 1HZ LYS 96 12.799 17.813 -0.832 838 HZ3 LYS 96 2HZ LYS 96 14.012 16.665 -1.097 839 H SER 97 H SER 97 13.744 12.670 -0.556 840 HA SER 97 HA SER 97 11.862 13.400 -2.494 841 HB2 SER 97 2HB SER 97 14.199 11.467 -2.859 842 HB3 SER 97 1HB SER 97 13.398 12.397 -4.128 843 HG SER 97 HG SER 97 14.092 14.297 -2.871 844 H ALA 98 H ALA 98 12.865 10.209 -1.302 845 HA ALA 98 HA ALA 98 10.899 8.741 -2.840 846 HB1 ALA 98 3HB ALA 98 11.875 6.770 -1.766 847 HB2 ALA 98 1HB ALA 98 12.823 7.806 -0.686 848 HB3 ALA 98 2HB ALA 98 13.128 7.820 -2.423 849 H MET 99 H MET 99 11.189 10.021 0.439 850 HA MET 99 HA MET 99 9.205 8.488 1.726 851 HB2 MET 99 2HB MET 99 10.845 9.873 2.950 852 HB3 MET 99 1HB MET 99 10.098 11.338 2.330 853 HG2 MET 99 2HG MET 99 8.544 9.364 4.022 854 HG3 MET 99 1HG MET 99 9.538 10.622 4.745 855 HE1 MET 99 3HE MET 99 9.113 13.128 2.844 856 HE2 MET 99 1HE MET 99 9.027 13.194 4.606 857 HE3 MET 99 2HE MET 99 7.734 13.894 3.633 858 H GLU 100 H GLU 100 9.036 11.565 -0.013 859 HA GLU 100 HA GLU 100 6.265 12.034 0.406 860 HB2 GLU 100 2HB GLU 100 7.928 13.802 -0.168 861 HB3 GLU 100 1HB GLU 100 8.110 13.104 -1.773 862 HG2 GLU 100 2HG GLU 100 6.677 15.082 -1.836 863 HG3 GLU 100 1HG GLU 100 5.772 13.644 -2.300 864 H ARG 101 H ARG 101 8.082 10.202 -1.976 865 HA ARG 101 HA ARG 101 5.792 9.731 -3.721 866 HB2 ARG 101 2HB ARG 101 8.455 8.255 -3.723 867 HB3 ARG 101 1HB ARG 101 7.218 8.189 -4.975 868 HG2 ARG 101 2HG ARG 101 7.635 10.824 -5.061 869 HG3 ARG 101 1HG ARG 101 9.174 10.375 -4.334 870 HD2 ARG 101 2HD ARG 101 8.065 9.561 -7.022 871 HD3 ARG 101 1HD ARG 101 9.545 10.464 -6.679 872 HE ARG 101 HE ARG 101 10.072 8.136 -5.472 873 HH11 ARG 101 1HH1 ARG 101 8.832 8.783 -8.700 874 HH12 ARG 101 2HH1 ARG 101 9.517 7.343 -9.373 875 HH21 ARG 101 1HH2 ARG 101 10.876 6.218 -6.351 876 HH22 ARG 101 2HH2 ARG 101 10.675 5.887 -8.045 877 H LEU 102 H LEU 102 7.239 8.199 -0.957 878 HA LEU 102 HA LEU 102 5.861 5.696 -1.143 879 HB2 LEU 102 2HB LEU 102 7.954 6.010 0.171 880 HB3 LEU 102 1HB LEU 102 7.112 7.089 1.270 881 HG LEU 102 HG LEU 102 5.753 5.244 2.126 882 HD11 LEU 102 1HD1 LEU 102 5.439 3.935 0.118 883 HD12 LEU 102 2HD1 LEU 102 6.066 2.924 1.416 884 HD13 LEU 102 3HD1 LEU 102 7.140 3.465 0.122 885 HD21 LEU 102 3HD2 LEU 102 7.495 3.848 3.166 886 HD22 LEU 102 1HD2 LEU 102 7.918 5.559 3.187 887 HD23 LEU 102 2HD2 LEU 102 8.682 4.479 2.021 888 H LYS 103 H LYS 103 5.298 8.767 0.587 889 HA LYS 103 HA LYS 103 2.784 8.231 1.722 890 HB2 LYS 103 2HB LYS 103 3.939 10.868 0.705 891 HB3 LYS 103 1HB LYS 103 2.479 10.741 1.678 892 HG2 LYS 103 2HG LYS 103 5.245 9.884 2.591 893 HG3 LYS 103 1HG LYS 103 4.486 11.426 2.979 894 HD2 LYS 103 2HD LYS 103 3.465 8.681 3.805 895 HD3 LYS 103 1HD LYS 103 4.308 9.820 4.851 896 HE2 LYS 103 2HE LYS 103 1.587 10.241 3.573 897 HE3 LYS 103 1HE LYS 103 1.892 9.862 5.266 898 HZ1 LYS 103 3HZ LYS 103 1.463 12.197 4.962 899 HZ2 LYS 103 1HZ LYS 103 2.732 12.331 3.854 900 HZ3 LYS 103 2HZ LYS 103 3.061 11.976 5.471 901 H ARG 104 H ARG 104 3.709 9.565 -1.434 902 HA ARG 104 HA ARG 104 1.182 10.102 -2.534 903 HB2 ARG 104 2HB ARG 104 3.273 10.937 -3.524 904 HB3 ARG 104 1HB ARG 104 3.795 9.296 -3.891 905 HG2 ARG 104 2HG ARG 104 1.925 9.072 -5.502 906 HG3 ARG 104 1HG ARG 104 1.423 10.727 -5.146 907 HD2 ARG 104 2HD ARG 104 3.606 11.553 -5.992 908 HD3 ARG 104 1HD ARG 104 4.081 9.891 -6.356 909 HE ARG 104 HE ARG 104 2.192 9.822 -7.948 910 HH11 ARG 104 1HH1 ARG 104 3.475 12.981 -7.079 911 HH12 ARG 104 2HH1 ARG 104 2.935 13.736 -8.544 912 HH21 ARG 104 1HH2 ARG 104 1.496 10.828 -9.860 913 HH22 ARG 104 2HH2 ARG 104 1.815 12.512 -10.117 914 H GLY 105 H GLY 105 3.114 7.151 -2.427 915 HA2 GLY 105 2HA GLY 105 1.628 5.469 -4.107 916 HA3 GLY 105 1HA GLY 105 2.621 4.945 -2.750 917 H ILE 106 H ILE 106 1.352 6.096 -0.609 918 HA ILE 106 HA ILE 106 -0.800 4.307 -0.130 919 HB ILE 106 HB ILE 106 0.511 6.528 1.446 920 HG12 ILE 106 2HG1 ILE 106 0.818 4.682 3.112 921 HG13 ILE 106 1HG1 ILE 106 -0.061 3.590 2.060 922 HG21 ILE 106 1HG2 ILE 106 -2.107 5.260 2.352 923 HG22 ILE 106 2HG2 ILE 106 -1.849 6.962 1.956 924 HG23 ILE 106 3HG2 ILE 106 -1.050 6.253 3.360 925 HD11 ILE 106 3HD1 ILE 106 2.295 3.190 1.932 926 HD12 ILE 106 1HD1 ILE 106 2.603 4.873 1.510 927 HD13 ILE 106 2HD1 ILE 106 1.732 3.827 0.389 928 H ILE 107 H ILE 107 -0.724 7.762 -0.934 929 HA ILE 107 HA ILE 107 -3.480 8.315 -0.545 930 HB ILE 107 HB ILE 107 -1.441 9.691 -2.358 931 HG12 ILE 107 2HG1 ILE 107 -2.401 10.476 0.443 932 HG13 ILE 107 1HG1 ILE 107 -0.897 9.625 0.117 933 HG21 ILE 107 1HG2 ILE 107 -3.728 10.258 -3.089 934 HG22 ILE 107 2HG2 ILE 107 -2.964 11.657 -2.337 935 HG23 ILE 107 3HG2 ILE 107 -4.162 10.719 -1.441 936 HD11 ILE 107 3HD1 ILE 107 -0.108 11.564 -1.177 937 HD12 ILE 107 1HD1 ILE 107 -0.474 11.951 0.504 938 HD13 ILE 107 2HD1 ILE 107 -1.601 12.415 -0.768 939 H HIS 108 H HIS 108 -1.627 7.404 -3.410 940 HA HIS 108 HA HIS 108 -3.770 7.300 -5.267 941 HB2 HIS 108 2HB HIS 108 -1.348 7.411 -5.926 942 HB3 HIS 108 1HB HIS 108 -1.149 5.743 -5.394 943 HD1 HIS 108 HD1 HIS 108 -0.593 4.812 -7.707 944 HD2 HIS 108 HD2 HIS 108 -4.210 6.846 -7.620 945 HE1 HIS 108 HE1 HIS 108 -1.709 4.307 -9.901 946 HE2 HIS 108 HE2 HIS 108 -3.920 5.491 -9.793 947 H ALA 109 H ALA 109 -2.300 4.811 -3.193 948 HA ALA 109 HA ALA 109 -3.679 2.583 -4.297 949 HB1 ALA 109 3HB ALA 109 -1.575 2.314 -3.081 950 HB2 ALA 109 1HB ALA 109 -2.846 1.329 -2.357 951 HB3 ALA 109 2HB ALA 109 -2.347 2.839 -1.586 952 H ARG 110 H ARG 110 -4.277 4.612 -1.426 953 HA ARG 110 HA ARG 110 -6.415 3.089 -0.321 954 HB2 ARG 110 2HB ARG 110 -5.048 4.730 0.982 955 HB3 ARG 110 1HB ARG 110 -5.764 6.053 0.068 956 HG2 ARG 110 2HG ARG 110 -7.996 5.460 1.002 957 HG3 ARG 110 1HG ARG 110 -7.244 4.175 1.954 958 HD2 ARG 110 2HD ARG 110 -7.628 6.196 3.309 959 HD3 ARG 110 1HD ARG 110 -5.901 5.852 3.171 960 HE ARG 110 HE ARG 110 -6.496 7.605 1.125 961 HH11 ARG 110 1HH1 ARG 110 -6.662 7.739 4.635 962 HH12 ARG 110 2HH1 ARG 110 -6.401 9.455 4.691 963 HH21 ARG 110 1HH2 ARG 110 -6.139 9.839 1.224 964 HH22 ARG 110 2HH2 ARG 110 -6.107 10.638 2.764 965 H ALA 111 H ALA 111 -6.235 5.712 -2.647 966 HA ALA 111 HA ALA 111 -9.011 6.311 -2.883 967 HB1 ALA 111 3HB ALA 111 -6.755 6.687 -4.890 968 HB2 ALA 111 1HB ALA 111 -7.254 7.853 -3.663 969 HB3 ALA 111 2HB ALA 111 -8.351 7.440 -4.981 970 H LEU 112 H LEU 112 -6.791 4.137 -4.564 971 HA LEU 112 HA LEU 112 -8.613 3.157 -6.526 972 HB2 LEU 112 2HB LEU 112 -6.014 1.993 -5.467 973 HB3 LEU 112 1HB LEU 112 -6.934 1.240 -6.761 974 HG LEU 112 HG LEU 112 -5.708 4.028 -6.885 975 HD11 LEU 112 1HD1 LEU 112 -4.806 1.465 -8.238 976 HD12 LEU 112 2HD1 LEU 112 -3.993 2.278 -6.900 977 HD13 LEU 112 3HD1 LEU 112 -4.101 3.069 -8.470 978 HD21 LEU 112 3HD2 LEU 112 -6.321 4.015 -9.259 979 HD22 LEU 112 1HD2 LEU 112 -7.758 3.862 -8.248 980 HD23 LEU 112 2HD2 LEU 112 -7.105 2.444 -9.076 981 H VAL 113 H VAL 113 -7.646 1.891 -3.320 982 HA VAL 113 HA VAL 113 -9.107 -0.526 -3.401 983 HB VAL 113 HB VAL 113 -8.443 1.082 -0.877 984 HG11 VAL 113 1HG1 VAL 113 -9.087 -1.881 -1.238 985 HG12 VAL 113 2HG1 VAL 113 -10.102 -0.673 -0.445 986 HG13 VAL 113 3HG1 VAL 113 -8.560 -1.132 0.272 987 HG21 VAL 113 3HG2 VAL 113 -6.771 -1.081 -2.214 988 HG22 VAL 113 1HG2 VAL 113 -6.405 -0.283 -0.683 989 HG23 VAL 113 2HG2 VAL 113 -6.395 0.638 -2.183 990 H ARG 114 H ARG 114 -9.944 2.757 -2.378 991 HA ARG 114 HA ARG 114 -12.486 2.240 -1.258 992 HB2 ARG 114 2HB ARG 114 -11.151 4.364 -0.987 993 HB3 ARG 114 1HB ARG 114 -11.555 4.790 -2.649 994 HG2 ARG 114 2HG ARG 114 -13.984 4.763 -2.003 995 HG3 ARG 114 1HG ARG 114 -13.493 4.470 -0.332 996 HD2 ARG 114 2HD ARG 114 -12.876 6.915 -2.016 997 HD3 ARG 114 1HD ARG 114 -13.962 6.829 -0.627 998 HE ARG 114 HE ARG 114 -11.773 6.164 0.614 999 HH11 ARG 114 1HH1 ARG 114 -12.035 8.566 -1.934 1000 HH12 ARG 114 2HH1 ARG 114 -10.688 9.495 -1.368 1001 HH21 ARG 114 1HH2 ARG 114 -9.963 7.376 1.330 1002 HH22 ARG 114 2HH2 ARG 114 -9.513 8.823 0.484 1003 H GLU 115 H GLU 115 -11.438 2.979 -4.579 1004 HA GLU 115 HA GLU 115 -14.063 3.058 -5.734 1005 HB2 GLU 115 2HB GLU 115 -11.331 2.638 -7.024 1006 HB3 GLU 115 1HB GLU 115 -12.827 2.879 -7.923 1007 HG2 GLU 115 2HG GLU 115 -11.490 4.877 -6.071 1008 HG3 GLU 115 1HG GLU 115 -11.556 4.951 -7.829 1009 H CYS 116 H CYS 116 -11.648 0.549 -5.197 1010 HA CYS 116 HA CYS 116 -12.830 -1.534 -6.709 1011 HB2 CYS 116 2HB CYS 116 -11.011 -1.729 -4.273 1012 HB3 CYS 116 1HB CYS 116 -11.343 -3.027 -5.420 1013 HG CYS 116 HG CYS 116 -8.893 -1.033 -5.481 1014 H LEU 117 H LEU 117 -13.205 -0.444 -3.367 1015 HA LEU 117 HA LEU 117 -14.691 -2.565 -2.300 1016 HB2 LEU 117 2HB LEU 117 -14.543 0.374 -1.570 1017 HB3 LEU 117 1HB LEU 117 -15.571 -0.731 -0.669 1018 HG LEU 117 HG LEU 117 -12.552 -1.060 -0.943 1019 HD11 LEU 117 1HD1 LEU 117 -13.093 0.969 0.327 1020 HD12 LEU 117 2HD1 LEU 117 -12.400 -0.270 1.367 1021 HD13 LEU 117 3HD1 LEU 117 -14.140 0.036 1.402 1022 HD21 LEU 117 3HD2 LEU 117 -14.523 -2.477 0.883 1023 HD22 LEU 117 1HD2 LEU 117 -12.775 -2.722 0.829 1024 HD23 LEU 117 2HD2 LEU 117 -13.769 -3.173 -0.553 1025 H ALA 118 H ALA 118 -15.690 0.095 -4.338 1026 HA ALA 118 HA ALA 118 -18.474 0.007 -3.938 1027 HB1 ALA 118 3HB ALA 118 -18.641 1.202 -6.073 1028 HB2 ALA 118 1HB ALA 118 -16.961 0.797 -6.444 1029 HB3 ALA 118 2HB ALA 118 -17.335 1.858 -5.085 1030 H GLU 119 H GLU 119 -16.475 -1.680 -6.467 1031 HA GLU 119 HA GLU 119 -18.714 -3.216 -7.420 1032 HB2 GLU 119 2HB GLU 119 -17.114 -4.332 -8.881 1033 HB3 GLU 119 1HB GLU 119 -16.801 -2.601 -8.889 1034 HG2 GLU 119 2HG GLU 119 -14.916 -2.971 -7.292 1035 HG3 GLU 119 1HG GLU 119 -15.212 -4.703 -7.390 1036 H THR 120 H THR 120 -16.255 -3.642 -4.960 1037 HA THR 120 HA THR 120 -16.571 -6.485 -4.615 1038 HB THR 120 HB THR 120 -15.409 -4.508 -2.594 1039 HG1 THR 120 HG1 THR 120 -14.367 -5.620 -4.952 1040 HG21 THR 120 3HG2 THR 120 -14.908 -7.490 -2.980 1041 HG22 THR 120 1HG2 THR 120 -15.866 -6.777 -1.678 1042 HG23 THR 120 2HG2 THR 120 -14.138 -6.454 -1.780 1043 H GLU 121 H GLU 121 -18.145 -3.624 -3.460 1044 HA GLU 121 HA GLU 121 -19.690 -4.719 -1.333 1045 HB2 GLU 121 2HB GLU 121 -19.318 -2.298 -1.583 1046 HB3 GLU 121 1HB GLU 121 -20.172 -2.298 -3.125 1047 HG2 GLU 121 2HG GLU 121 -22.244 -2.991 -1.934 1048 HG3 GLU 121 1HG GLU 121 -21.367 -2.893 -0.405 1049 H ARG 122 H ARG 122 -20.114 -4.371 -4.839 1050 HA ARG 122 HA ARG 122 -22.801 -5.433 -4.912 1051 HB2 ARG 122 2HB ARG 122 -21.974 -3.832 -6.629 1052 HB3 ARG 122 1HB ARG 122 -20.770 -5.010 -7.149 1053 HG2 ARG 122 2HG ARG 122 -22.605 -6.558 -7.809 1054 HG3 ARG 122 1HG ARG 122 -23.785 -5.335 -7.336 1055 HD2 ARG 122 2HD ARG 122 -22.962 -3.829 -9.074 1056 HD3 ARG 122 1HD ARG 122 -21.689 -4.983 -9.497 1057 HE ARG 122 HE ARG 122 -24.318 -6.119 -9.653 1058 HH11 ARG 122 1HH1 ARG 122 -21.985 -4.208 -11.453 1059 HH12 ARG 122 2HH1 ARG 122 -22.647 -4.643 -12.994 1060 HH21 ARG 122 1HH2 ARG 122 -25.169 -6.677 -11.667 1061 HH22 ARG 122 2HH2 ARG 122 -24.450 -6.042 -13.115 1062 H ASN 123 H ASN 123 -19.570 -6.635 -4.965 1063 HA ASN 123 HA ASN 123 -20.103 -9.328 -5.859 1064 HB2 ASN 123 2HB ASN 123 -17.909 -8.176 -6.181 1065 HB3 ASN 123 1HB ASN 123 -17.711 -8.057 -4.440 1066 HD21 ASN 123 1HD2 ASN 123 -15.925 -9.242 -4.175 1067 HD22 ASN 123 2HD2 ASN 123 -15.774 -10.907 -4.590 1068 H ALA 124 H ALA 124 -21.990 -9.270 -4.210 1069 HA ALA 124 HA ALA 124 -21.245 -9.897 -1.431 1070 HB1 ALA 124 3HB ALA 124 -22.967 -8.177 -1.770 1071 HB2 ALA 124 1HB ALA 124 -23.642 -9.587 -0.951 1072 HB3 ALA 124 2HB ALA 124 -23.960 -9.326 -2.670 1073 H ARG 125 H ARG 125 -20.537 -11.996 -1.544 1074 HA ARG 125 HA ARG 125 -21.792 -14.060 -3.058 1075 HB2 ARG 125 2HB ARG 125 -19.354 -13.925 -2.011 1076 HB3 ARG 125 1HB ARG 125 -20.106 -14.645 -0.592 1077 HG2 ARG 125 2HG ARG 125 -19.210 -16.451 -1.849 1078 HG3 ARG 125 1HG ARG 125 -20.951 -16.500 -2.146 1079 HD2 ARG 125 2HD ARG 125 -19.759 -16.839 -4.242 1080 HD3 ARG 125 1HD ARG 125 -20.582 -15.275 -4.292 1081 HE ARG 125 HE ARG 125 -17.686 -15.655 -3.776 1082 HH11 ARG 125 1HH1 ARG 125 -20.271 -13.663 -5.104 1083 HH12 ARG 125 2HH1 ARG 125 -19.179 -12.454 -5.690 1084 HH21 ARG 125 1HH2 ARG 125 -16.306 -14.031 -4.469 1085 HH22 ARG 125 2HH2 ARG 125 -16.930 -12.660 -5.332 1086 H THR 126 H THR 126 -21.983 -13.001 0.295 1087 HA THR 126 HA THR 126 -24.239 -14.793 0.870 1088 HB THR 126 HB THR 126 -23.935 -13.886 3.250 1089 HG1 THR 126 HG1 THR 126 -22.753 -11.998 2.724 1090 HG21 THR 126 3HG2 THR 126 -21.960 -15.283 3.750 1091 HG22 THR 126 1HG2 THR 126 -21.536 -15.314 2.035 1092 HG23 THR 126 2HG2 THR 126 -23.019 -16.092 2.593 Start of MODEL 3 1 H1 SER 58 1H SER 58 -9.060 -17.610 38.308 2 H2 SER 58 2H SER 58 -8.986 -18.800 37.111 3 H3 SER 58 3H SER 58 -10.399 -18.600 38.019 4 HA SER 58 HA SER 58 -10.784 -16.455 37.080 5 HB2 SER 58 2HB SER 58 -8.235 -16.971 35.463 6 HB3 SER 58 1HB SER 58 -9.292 -15.562 35.305 7 HG SER 58 HG SER 58 -8.739 -14.928 37.367 8 H HIS 59 H HIS 59 -11.698 -16.129 34.848 9 HA HIS 59 HA HIS 59 -12.041 -18.658 33.331 10 HB2 HIS 59 2HB HIS 59 -14.098 -16.430 33.736 11 HB3 HIS 59 1HB HIS 59 -14.299 -17.798 32.646 12 HD1 HIS 59 HD1 HIS 59 -15.370 -16.750 35.826 13 HD2 HIS 59 HD2 HIS 59 -14.005 -20.378 34.331 14 HE1 HIS 59 HE1 HIS 59 -16.218 -18.497 37.410 15 HE2 HIS 59 HE2 HIS 59 -15.208 -20.641 36.596 16 H MET 60 H MET 60 -10.872 -18.467 31.523 17 HA MET 60 HA MET 60 -10.628 -15.857 30.150 18 HB2 MET 60 2HB MET 60 -8.524 -17.142 30.708 19 HB3 MET 60 1HB MET 60 -9.085 -18.453 29.673 20 HG2 MET 60 2HG MET 60 -7.434 -17.062 28.529 21 HG3 MET 60 1HG MET 60 -8.995 -16.961 27.721 22 HE1 MET 60 3HE MET 60 -7.931 -15.107 31.075 23 HE2 MET 60 1HE MET 60 -7.326 -13.584 30.422 24 HE3 MET 60 2HE MET 60 -6.452 -15.082 30.113 25 H ALA 61 H ALA 61 -12.714 -15.841 29.281 26 HA ALA 61 HA ALA 61 -13.373 -17.905 27.251 27 HB1 ALA 61 3HB ALA 61 -14.728 -18.281 29.282 28 HB2 ALA 61 1HB ALA 61 -15.735 -17.770 27.927 29 HB3 ALA 61 2HB ALA 61 -15.331 -16.624 29.208 30 H MET 62 H MET 62 -12.733 -16.653 25.513 31 HA MET 62 HA MET 62 -13.511 -13.923 25.100 32 HB2 MET 62 2HB MET 62 -12.385 -16.021 23.189 33 HB3 MET 62 1HB MET 62 -12.674 -14.346 22.731 34 HG2 MET 62 2HG MET 62 -11.070 -13.579 24.413 35 HG3 MET 62 1HG MET 62 -10.803 -15.243 24.936 36 HE1 MET 62 3HE MET 62 -11.190 -13.859 21.210 37 HE2 MET 62 1HE MET 62 -9.494 -13.549 20.838 38 HE3 MET 62 2HE MET 62 -10.307 -12.605 22.084 39 H LYS 63 H LYS 63 -14.941 -13.148 23.360 40 HA LYS 63 HA LYS 63 -17.152 -14.945 22.607 41 HB2 LYS 63 2HB LYS 63 -18.812 -13.244 23.506 42 HB3 LYS 63 1HB LYS 63 -17.928 -14.136 24.739 43 HG2 LYS 63 2HG LYS 63 -16.425 -12.210 25.081 44 HG3 LYS 63 1HG LYS 63 -17.278 -11.303 23.834 45 HD2 LYS 63 2HD LYS 63 -18.547 -12.285 26.427 46 HD3 LYS 63 1HD LYS 63 -17.904 -10.664 26.174 47 HE2 LYS 63 2HE LYS 63 -20.251 -10.469 25.866 48 HE3 LYS 63 1HE LYS 63 -19.574 -10.447 24.238 49 HZ1 LYS 63 3HZ LYS 63 -20.753 -12.846 25.555 50 HZ2 LYS 63 1HZ LYS 63 -20.213 -12.746 23.954 51 HZ3 LYS 63 2HZ LYS 63 -21.558 -11.856 24.449 52 HA PRO 64 HA PRO 64 -16.039 -11.783 19.324 53 HB2 PRO 64 2HB PRO 64 -15.091 -13.412 17.381 54 HB3 PRO 64 1HB PRO 64 -14.083 -12.954 18.770 55 HG2 PRO 64 2HG PRO 64 -15.580 -15.502 18.286 56 HG3 PRO 64 1HG PRO 64 -13.937 -15.265 18.927 57 HD2 PRO 64 2HD PRO 64 -16.160 -15.715 20.523 58 HD3 PRO 64 1HD PRO 64 -14.689 -14.885 21.072 59 HA PRO 65 HA PRO 65 -19.967 -12.421 17.020 60 HB2 PRO 65 2HB PRO 65 -18.646 -10.587 15.004 61 HB3 PRO 65 1HB PRO 65 -20.215 -10.430 15.827 62 HG2 PRO 65 2HG PRO 65 -18.176 -8.879 16.528 63 HG3 PRO 65 1HG PRO 65 -19.272 -9.537 17.770 64 HD2 PRO 65 2HD PRO 65 -16.517 -10.500 16.972 65 HD3 PRO 65 1HD PRO 65 -17.208 -10.280 18.599 66 H GLY 66 H GLY 66 -20.601 -13.511 15.075 67 HA2 GLY 66 2HA GLY 66 -19.000 -15.654 14.261 68 HA3 GLY 66 1HA GLY 66 -20.483 -15.136 13.473 69 H ALA 67 H ALA 67 -17.592 -15.983 12.630 70 HA ALA 67 HA ALA 67 -16.319 -13.842 11.322 71 HB1 ALA 67 3HB ALA 67 -15.149 -15.928 11.891 72 HB2 ALA 67 1HB ALA 67 -14.996 -15.554 10.174 73 HB3 ALA 67 2HB ALA 67 -16.118 -16.807 10.708 74 H GLN 68 H GLN 68 -17.722 -12.691 10.084 75 HA GLN 68 HA GLN 68 -18.641 -13.839 7.531 76 HB2 GLN 68 2HB GLN 68 -20.259 -12.151 9.485 77 HB3 GLN 68 1HB GLN 68 -20.703 -12.295 7.790 78 HG2 GLN 68 2HG GLN 68 -20.521 -14.607 9.741 79 HG3 GLN 68 1HG GLN 68 -22.015 -13.789 9.294 80 HE21 GLN 68 1HE2 GLN 68 -19.642 -16.112 8.341 81 HE22 GLN 68 2HE2 GLN 68 -20.407 -16.613 6.879 82 H GLY 69 H GLY 69 -18.576 -12.377 5.820 83 HA2 GLY 69 2HA GLY 69 -18.162 -9.593 5.980 84 HA3 GLY 69 1HA GLY 69 -16.598 -10.392 5.863 85 H SER 70 H SER 70 -18.982 -8.979 4.083 86 HA SER 70 HA SER 70 -18.800 -10.700 1.732 87 HB2 SER 70 2HB SER 70 -20.316 -8.918 0.720 88 HB3 SER 70 1HB SER 70 -20.960 -9.684 2.175 89 HG SER 70 HG SER 70 -21.176 -7.392 2.225 90 H GLN 71 H GLN 71 -18.260 -7.208 2.267 91 HA GLN 71 HA GLN 71 -16.175 -7.125 0.200 92 HB2 GLN 71 2HB GLN 71 -18.144 -5.518 0.237 93 HB3 GLN 71 1HB GLN 71 -17.523 -4.849 1.742 94 HG2 GLN 71 2HG GLN 71 -15.429 -4.211 0.532 95 HG3 GLN 71 1HG GLN 71 -16.156 -4.768 -0.975 96 HE21 GLN 71 1HE2 GLN 71 -16.117 -2.274 1.444 97 HE22 GLN 71 2HE2 GLN 71 -17.127 -1.159 0.600 98 H SER 72 H SER 72 -16.436 -7.446 3.572 99 HA SER 72 HA SER 72 -14.766 -5.775 4.800 100 HB2 SER 72 2HB SER 72 -15.040 -8.730 5.393 101 HB3 SER 72 1HB SER 72 -14.415 -7.515 6.512 102 HG SER 72 HG SER 72 -16.856 -6.857 5.405 103 H THR 73 H THR 73 -13.507 -8.857 3.387 104 HA THR 73 HA THR 73 -10.813 -8.480 3.931 105 HB THR 73 HB THR 73 -11.983 -9.910 1.509 106 HG1 THR 73 HG1 THR 73 -12.034 -11.704 2.859 107 HG21 THR 73 3HG2 THR 73 -9.306 -10.346 2.914 108 HG22 THR 73 1HG2 THR 73 -9.525 -9.656 1.304 109 HG23 THR 73 2HG2 THR 73 -9.958 -11.338 1.606 110 H TYR 74 H TYR 74 -12.672 -7.233 1.173 111 HA TYR 74 HA TYR 74 -10.385 -6.137 -0.204 112 HB2 TYR 74 2HB TYR 74 -12.523 -6.775 -1.365 113 HB3 TYR 74 1HB TYR 74 -13.335 -5.432 -0.551 114 HD1 TYR 74 HD1 TYR 74 -10.055 -5.832 -2.335 115 HD2 TYR 74 HD2 TYR 74 -13.714 -3.648 -2.080 116 HE1 TYR 74 HE1 TYR 74 -9.311 -4.351 -4.113 117 HE2 TYR 74 HE2 TYR 74 -12.944 -2.162 -3.891 118 HH TYR 74 HH TYR 74 -10.815 -1.452 -4.883 119 H THR 75 H THR 75 -12.726 -4.908 2.132 120 HA THR 75 HA THR 75 -11.747 -2.175 2.097 121 HB THR 75 HB THR 75 -13.534 -3.457 4.216 122 HG1 THR 75 HG1 THR 75 -14.139 -3.518 1.749 123 HG21 THR 75 3HG2 THR 75 -12.720 -1.187 4.768 124 HG22 THR 75 1HG2 THR 75 -14.450 -1.160 4.428 125 HG23 THR 75 2HG2 THR 75 -13.304 -0.580 3.217 126 H ASP 76 H ASP 76 -10.938 -5.135 3.639 127 HA ASP 76 HA ASP 76 -9.391 -4.200 5.840 128 HB2 ASP 76 2HB ASP 76 -10.200 -6.549 5.638 129 HB3 ASP 76 1HB ASP 76 -9.147 -6.817 4.257 130 H LEU 77 H LEU 77 -8.732 -4.951 2.454 131 HA LEU 77 HA LEU 77 -5.995 -4.335 2.334 132 HB2 LEU 77 2HB LEU 77 -7.149 -5.444 0.485 133 HB3 LEU 77 1HB LEU 77 -8.203 -4.058 0.255 134 HG LEU 77 HG LEU 77 -6.267 -2.705 -0.521 135 HD11 LEU 77 1HD1 LEU 77 -4.447 -3.772 0.708 136 HD12 LEU 77 2HD1 LEU 77 -4.100 -3.730 -1.017 137 HD13 LEU 77 3HD1 LEU 77 -4.616 -5.240 -0.260 138 HD21 LEU 77 3HD2 LEU 77 -7.660 -3.879 -2.149 139 HD22 LEU 77 1HD2 LEU 77 -6.634 -5.313 -2.036 140 HD23 LEU 77 2HD2 LEU 77 -5.989 -3.808 -2.698 141 H LEU 78 H LEU 78 -8.893 -2.293 1.900 142 HA LEU 78 HA LEU 78 -7.737 0.218 1.448 143 HB2 LEU 78 2HB LEU 78 -10.195 -0.393 1.314 144 HB3 LEU 78 1HB LEU 78 -10.250 -0.384 3.064 145 HG LEU 78 HG LEU 78 -9.610 2.087 2.980 146 HD11 LEU 78 1HD1 LEU 78 -8.629 2.137 0.752 147 HD12 LEU 78 2HD1 LEU 78 -9.948 3.296 0.880 148 HD13 LEU 78 3HD1 LEU 78 -10.197 1.771 0.026 149 HD21 LEU 78 3HD2 LEU 78 -11.892 2.853 2.425 150 HD22 LEU 78 1HD2 LEU 78 -11.917 1.390 3.410 151 HD23 LEU 78 2HD2 LEU 78 -12.239 1.291 1.679 152 H SER 79 H SER 79 -8.317 -1.555 4.452 153 HA SER 79 HA SER 79 -7.515 0.437 6.305 154 HB2 SER 79 2HB SER 79 -8.844 -1.496 7.019 155 HB3 SER 79 1HB SER 79 -7.539 -2.603 6.597 156 HG SER 79 HG SER 79 -6.935 -0.520 8.370 157 H VAL 80 H VAL 80 -5.725 -2.332 4.820 158 HA VAL 80 HA VAL 80 -3.318 -2.046 6.207 159 HB VAL 80 HB VAL 80 -3.616 -3.042 3.326 160 HG11 VAL 80 1HG1 VAL 80 -1.349 -3.531 5.317 161 HG12 VAL 80 2HG1 VAL 80 -1.266 -2.549 3.851 162 HG13 VAL 80 3HG1 VAL 80 -1.511 -4.288 3.731 163 HG21 VAL 80 3HG2 VAL 80 -3.678 -4.639 5.917 164 HG22 VAL 80 1HG2 VAL 80 -3.702 -5.309 4.280 165 HG23 VAL 80 2HG2 VAL 80 -5.042 -4.320 4.845 166 H ILE 81 H ILE 81 -4.387 -0.567 3.143 167 HA ILE 81 HA ILE 81 -2.115 0.836 2.430 168 HB ILE 81 HB ILE 81 -4.989 1.813 2.102 169 HG12 ILE 81 2HG1 ILE 81 -4.760 -0.435 1.153 170 HG13 ILE 81 1HG1 ILE 81 -4.905 0.730 -0.148 171 HG21 ILE 81 1HG2 ILE 81 -2.457 2.546 0.590 172 HG22 ILE 81 2HG2 ILE 81 -3.387 3.593 1.666 173 HG23 ILE 81 3HG2 ILE 81 -4.087 3.047 0.144 174 HD11 ILE 81 3HD1 ILE 81 -2.372 -0.654 0.759 175 HD12 ILE 81 1HD1 ILE 81 -2.462 0.564 -0.519 176 HD13 ILE 81 2HD1 ILE 81 -3.296 -0.977 -0.706 177 H GLU 82 H GLU 82 -4.795 1.977 4.543 178 HA GLU 82 HA GLU 82 -3.631 4.522 5.120 179 HB2 GLU 82 2HB GLU 82 -6.054 4.115 5.318 180 HB3 GLU 82 1HB GLU 82 -5.786 2.948 6.608 181 HG2 GLU 82 2HG GLU 82 -4.873 4.765 8.037 182 HG3 GLU 82 1HG GLU 82 -5.187 5.919 6.741 183 H GLU 83 H GLU 83 -3.410 1.358 6.667 184 HA GLU 83 HA GLU 83 -2.203 2.063 9.095 185 HB2 GLU 83 2HB GLU 83 -1.942 -0.465 7.428 186 HB3 GLU 83 1HB GLU 83 -1.180 -0.288 9.004 187 HG2 GLU 83 2HG GLU 83 -4.155 -0.232 8.437 188 HG3 GLU 83 1HG GLU 83 -3.244 -1.527 9.208 189 H MET 84 H MET 84 -0.731 1.025 6.033 190 HA MET 84 HA MET 84 1.942 1.438 6.693 191 HB2 MET 84 2HB MET 84 0.558 1.489 3.969 192 HB3 MET 84 1HB MET 84 2.305 1.408 4.196 193 HG2 MET 84 2HG MET 84 2.037 -0.759 5.382 194 HG3 MET 84 1HG MET 84 0.298 -0.674 5.114 195 HE1 MET 84 3HE MET 84 0.170 -0.972 1.139 196 HE2 MET 84 1HE MET 84 0.274 0.540 2.039 197 HE3 MET 84 2HE MET 84 -0.804 -0.745 2.590 198 H GLY 85 H GLY 85 -0.533 3.616 5.476 199 HA2 GLY 85 2HA GLY 85 0.975 5.808 4.647 200 HA3 GLY 85 1HA GLY 85 -0.676 5.876 5.243 201 H LYS 86 H LYS 86 -0.019 4.849 7.882 202 HA LYS 86 HA LYS 86 0.677 7.361 9.159 203 HB2 LYS 86 2HB LYS 86 0.165 4.624 10.412 204 HB3 LYS 86 1HB LYS 86 0.226 6.159 11.271 205 HG2 LYS 86 2HG LYS 86 -1.821 6.914 10.167 206 HG3 LYS 86 1HG LYS 86 -1.849 5.454 9.174 207 HD2 LYS 86 2HD LYS 86 -2.147 5.546 12.205 208 HD3 LYS 86 1HD LYS 86 -3.448 5.265 11.046 209 HE2 LYS 86 2HE LYS 86 -2.278 3.187 10.297 210 HE3 LYS 86 1HE LYS 86 -1.054 3.456 11.537 211 HZ1 LYS 86 3HZ LYS 86 -2.773 1.855 12.208 212 HZ2 LYS 86 1HZ LYS 86 -3.950 3.059 12.063 213 HZ3 LYS 86 2HZ LYS 86 -2.739 3.202 13.234 214 H GLU 87 H GLU 87 2.072 4.161 8.651 215 HA GLU 87 HA GLU 87 4.182 4.477 10.609 216 HB2 GLU 87 2HB GLU 87 3.608 2.239 8.633 217 HB3 GLU 87 1HB GLU 87 4.769 2.168 9.959 218 HG2 GLU 87 2HG GLU 87 2.986 2.363 11.609 219 HG3 GLU 87 1HG GLU 87 1.783 2.596 10.343 220 H ILE 88 H ILE 88 3.867 5.586 7.501 221 HA ILE 88 HA ILE 88 6.494 5.374 6.481 222 HB ILE 88 HB ILE 88 4.389 7.567 6.117 223 HG12 ILE 88 2HG1 ILE 88 5.156 5.224 4.302 224 HG13 ILE 88 1HG1 ILE 88 3.742 5.282 5.339 225 HG21 ILE 88 1HG2 ILE 88 6.944 7.144 4.508 226 HG22 ILE 88 2HG2 ILE 88 6.593 8.504 5.579 227 HG23 ILE 88 3HG2 ILE 88 5.653 8.281 4.106 228 HD11 ILE 88 3HD1 ILE 88 2.863 7.143 4.058 229 HD12 ILE 88 1HD1 ILE 88 3.165 5.729 3.057 230 HD13 ILE 88 2HD1 ILE 88 4.279 7.089 3.005 231 H ARG 89 H ARG 89 4.996 7.525 8.873 232 HA ARG 89 HA ARG 89 7.045 9.464 8.941 233 HB2 ARG 89 2HB ARG 89 4.837 10.002 9.807 234 HB3 ARG 89 1HB ARG 89 4.992 8.808 11.094 235 HG2 ARG 89 2HG ARG 89 6.875 10.105 12.056 236 HG3 ARG 89 1HG ARG 89 6.703 11.298 10.767 237 HD2 ARG 89 2HD ARG 89 4.456 11.875 11.566 238 HD3 ARG 89 1HD ARG 89 4.565 10.633 12.822 239 HE ARG 89 HE ARG 89 6.680 12.071 13.473 240 HH11 ARG 89 1HH1 ARG 89 3.507 13.288 12.531 241 HH12 ARG 89 2HH1 ARG 89 3.651 14.735 13.473 242 HH21 ARG 89 1HH2 ARG 89 6.850 13.962 14.698 243 HH22 ARG 89 2HH2 ARG 89 5.558 15.120 14.710 244 HA PRO 90 HA PRO 90 9.040 7.279 12.782 245 HB2 PRO 90 2HB PRO 90 8.467 4.612 13.248 246 HB3 PRO 90 1HB PRO 90 7.631 5.960 14.045 247 HG2 PRO 90 2HG PRO 90 6.750 4.343 11.671 248 HG3 PRO 90 1HG PRO 90 5.803 4.890 13.076 249 HD2 PRO 90 2HD PRO 90 5.687 6.158 10.695 250 HD3 PRO 90 1HD PRO 90 5.553 7.041 12.232 251 H THR 91 H THR 91 8.329 5.166 9.973 252 HA THR 91 HA THR 91 10.817 3.922 9.649 253 HB THR 91 HB THR 91 8.778 4.833 7.567 254 HG1 THR 91 HG1 THR 91 7.813 3.059 8.161 255 HG21 THR 91 3HG2 THR 91 10.919 4.530 6.388 256 HG22 THR 91 1HG2 THR 91 9.840 3.184 6.014 257 HG23 THR 91 2HG2 THR 91 11.161 2.966 7.169 258 H TYR 92 H TYR 92 9.653 6.960 8.239 259 HA TYR 92 HA TYR 92 12.009 7.816 6.972 260 HB2 TYR 92 2HB TYR 92 9.707 8.697 6.499 261 HB3 TYR 92 1HB TYR 92 9.694 9.497 8.069 262 HD1 TYR 92 HD2 TYR 92 11.718 9.339 4.906 263 HD2 TYR 92 HD1 TYR 92 10.381 11.763 8.149 264 HE1 TYR 92 HE2 TYR 92 12.756 11.289 3.873 265 HE2 TYR 92 HE1 TYR 92 11.424 13.732 7.105 266 HH TYR 92 HH TYR 92 13.264 14.184 5.507 267 H ALA 93 H ALA 93 10.962 7.953 10.303 268 HA ALA 93 HA ALA 93 12.861 9.996 11.130 269 HB1 ALA 93 3HB ALA 93 11.898 9.680 13.354 270 HB2 ALA 93 1HB ALA 93 10.999 8.264 12.785 271 HB3 ALA 93 2HB ALA 93 10.628 9.863 12.146 272 H GLY 94 H GLY 94 13.430 6.974 10.177 273 HA2 GLY 94 2HA GLY 94 15.479 5.903 10.292 274 HA3 GLY 94 1HA GLY 94 15.868 6.815 11.737 275 H SER 95 H SER 95 12.839 5.473 12.239 276 HA SER 95 HA SER 95 13.806 3.462 14.010 277 HB2 SER 95 2HB SER 95 10.969 3.916 13.028 278 HB3 SER 95 1HB SER 95 11.442 2.973 14.446 279 HG SER 95 HG SER 95 12.575 5.373 14.634 280 H LYS 96 H LYS 96 14.855 1.761 13.124 281 HA LYS 96 HA LYS 96 14.425 0.435 10.738 282 HB2 LYS 96 2HB LYS 96 15.768 -1.405 11.709 283 HB3 LYS 96 1HB LYS 96 16.456 0.172 12.068 284 HG2 LYS 96 2HG LYS 96 15.538 0.085 14.347 285 HG3 LYS 96 1HG LYS 96 14.812 -1.488 14.009 286 HD2 LYS 96 2HD LYS 96 17.790 -0.847 14.087 287 HD3 LYS 96 1HD LYS 96 16.880 -1.770 15.283 288 HE2 LYS 96 2HE LYS 96 17.445 -2.586 12.414 289 HE3 LYS 96 1HE LYS 96 18.119 -3.318 13.869 290 HZ1 LYS 96 3HZ LYS 96 16.343 -4.656 12.993 291 HZ2 LYS 96 1HZ LYS 96 15.251 -3.371 13.062 292 HZ3 LYS 96 2HZ LYS 96 15.877 -4.034 14.484 293 H SER 97 H SER 97 12.956 -0.213 13.897 294 HA SER 97 HA SER 97 11.644 -2.612 13.320 295 HB2 SER 97 2HB SER 97 10.778 -0.408 15.241 296 HB3 SER 97 1HB SER 97 10.201 -2.080 15.264 297 HG SER 97 HG SER 97 11.927 -2.609 16.312 298 H ALA 98 H ALA 98 10.544 0.758 13.041 299 HA ALA 98 HA ALA 98 7.926 0.339 12.134 300 HB1 ALA 98 3HB ALA 98 8.032 2.656 11.337 301 HB2 ALA 98 1HB ALA 98 9.793 2.659 11.542 302 HB3 ALA 98 2HB ALA 98 8.735 2.494 12.942 303 H MET 99 H MET 99 10.978 0.768 10.372 304 HA MET 99 HA MET 99 10.029 0.778 7.735 305 HB2 MET 99 2HB MET 99 12.254 1.576 8.315 306 HB3 MET 99 1HB MET 99 12.750 -0.011 8.887 307 HG2 MET 99 2HG MET 99 12.018 0.527 5.986 308 HG3 MET 99 1HG MET 99 13.646 0.735 6.615 309 HE1 MET 99 3HE MET 99 14.533 -2.957 7.686 310 HE2 MET 99 1HE MET 99 13.739 -1.774 8.726 311 HE3 MET 99 2HE MET 99 15.069 -1.277 7.676 312 H GLU 100 H GLU 100 11.238 -1.886 9.737 313 HA GLU 100 HA GLU 100 11.197 -3.921 7.759 314 HB2 GLU 100 2HB GLU 100 12.597 -3.902 9.832 315 HB3 GLU 100 1HB GLU 100 11.153 -4.160 10.802 316 HG2 GLU 100 2HG GLU 100 10.858 -6.376 9.918 317 HG3 GLU 100 1HG GLU 100 12.089 -6.116 8.679 318 H ARG 101 H ARG 101 8.949 -2.959 10.282 319 HA ARG 101 HA ARG 101 6.956 -4.976 9.726 320 HB2 ARG 101 2HB ARG 101 7.091 -2.549 11.526 321 HB3 ARG 101 1HB ARG 101 5.520 -3.261 11.187 322 HG2 ARG 101 2HG ARG 101 6.387 -4.096 13.294 323 HG3 ARG 101 1HG ARG 101 6.276 -5.420 12.134 324 HD2 ARG 101 2HD ARG 101 8.718 -5.230 11.719 325 HD3 ARG 101 1HD ARG 101 8.812 -3.928 12.907 326 HE ARG 101 HE ARG 101 7.949 -5.654 14.541 327 HH11 ARG 101 1HH1 ARG 101 9.915 -6.571 11.782 328 HH12 ARG 101 2HH1 ARG 101 10.543 -7.988 12.551 329 HH21 ARG 101 1HH2 ARG 101 8.756 -7.527 15.515 330 HH22 ARG 101 2HH2 ARG 101 9.887 -8.528 14.657 331 H LEU 102 H LEU 102 7.631 -1.739 8.550 332 HA LEU 102 HA LEU 102 5.099 -1.204 7.345 333 HB2 LEU 102 2HB LEU 102 6.854 0.555 7.804 334 HB3 LEU 102 1HB LEU 102 7.832 -0.120 6.512 335 HG LEU 102 HG LEU 102 6.081 0.495 4.857 336 HD11 LEU 102 1HD1 LEU 102 4.107 0.317 6.248 337 HD12 LEU 102 2HD1 LEU 102 4.192 1.907 5.501 338 HD13 LEU 102 3HD1 LEU 102 4.615 1.712 7.203 339 HD21 LEU 102 3HD2 LEU 102 6.403 2.932 4.913 340 HD22 LEU 102 1HD2 LEU 102 7.896 2.091 5.327 341 HD23 LEU 102 2HD2 LEU 102 6.929 2.842 6.597 342 H LYS 103 H LYS 103 8.100 -2.691 6.263 343 HA LYS 103 HA LYS 103 7.342 -3.229 3.579 344 HB2 LYS 103 2HB LYS 103 9.441 -4.542 5.362 345 HB3 LYS 103 1HB LYS 103 9.257 -4.888 3.643 346 HG2 LYS 103 2HG LYS 103 9.695 -2.473 3.146 347 HG3 LYS 103 1HG LYS 103 9.983 -2.203 4.864 348 HD2 LYS 103 2HD LYS 103 12.111 -2.439 3.691 349 HD3 LYS 103 1HD LYS 103 11.884 -3.795 4.797 350 HE2 LYS 103 2HE LYS 103 12.807 -4.499 2.594 351 HE3 LYS 103 1HE LYS 103 11.246 -5.252 2.940 352 HZ1 LYS 103 3HZ LYS 103 10.170 -3.686 1.485 353 HZ2 LYS 103 1HZ LYS 103 11.442 -4.412 0.646 354 HZ3 LYS 103 2HZ LYS 103 11.606 -2.843 1.239 355 H ARG 104 H ARG 104 6.886 -5.002 6.596 356 HA ARG 104 HA ARG 104 5.873 -7.401 5.490 357 HB2 ARG 104 2HB ARG 104 6.559 -7.179 7.865 358 HB3 ARG 104 1HB ARG 104 5.188 -6.112 8.171 359 HG2 ARG 104 2HG ARG 104 3.652 -7.991 7.517 360 HG3 ARG 104 1HG ARG 104 5.062 -9.041 7.371 361 HD2 ARG 104 2HD ARG 104 5.552 -8.701 9.768 362 HD3 ARG 104 1HD ARG 104 4.144 -7.643 9.901 363 HE ARG 104 HE ARG 104 4.016 -10.531 9.242 364 HH11 ARG 104 1HH1 ARG 104 2.599 -7.728 10.830 365 HH12 ARG 104 2HH1 ARG 104 1.262 -8.622 11.478 366 HH21 ARG 104 1HH2 ARG 104 2.242 -11.695 10.095 367 HH22 ARG 104 2HH2 ARG 104 1.063 -10.860 11.057 368 H GLY 105 H GLY 105 4.337 -4.287 6.218 369 HA2 GLY 105 2HA GLY 105 1.629 -4.976 5.903 370 HA3 GLY 105 1HA GLY 105 2.311 -3.384 5.588 371 H ILE 106 H ILE 106 4.088 -4.099 3.532 372 HA ILE 106 HA ILE 106 2.430 -4.084 1.238 373 HB ILE 106 HB ILE 106 5.408 -4.168 1.721 374 HG12 ILE 106 2HG1 ILE 106 5.237 -2.132 0.142 375 HG13 ILE 106 1HG1 ILE 106 3.496 -2.307 0.229 376 HG21 ILE 106 1HG2 ILE 106 4.266 -4.649 -1.051 377 HG22 ILE 106 2HG2 ILE 106 5.219 -5.788 -0.105 378 HG23 ILE 106 3HG2 ILE 106 5.952 -4.292 -0.681 379 HD11 ILE 106 3HD1 ILE 106 4.276 -0.577 1.713 380 HD12 ILE 106 1HD1 ILE 106 5.358 -1.707 2.522 381 HD13 ILE 106 2HD1 ILE 106 3.613 -1.913 2.654 382 H ILE 107 H ILE 107 3.992 -6.757 2.951 383 HA ILE 107 HA ILE 107 3.691 -8.774 0.972 384 HB ILE 107 HB ILE 107 3.669 -9.083 4.011 385 HG12 ILE 107 2HG1 ILE 107 6.004 -9.313 2.044 386 HG13 ILE 107 1HG1 ILE 107 5.740 -7.989 3.175 387 HG21 ILE 107 1HG2 ILE 107 4.134 -11.211 1.882 388 HG22 ILE 107 2HG2 ILE 107 2.719 -11.077 2.927 389 HG23 ILE 107 3HG2 ILE 107 4.293 -11.452 3.625 390 HD11 ILE 107 3HD1 ILE 107 7.443 -9.501 3.978 391 HD12 ILE 107 1HD1 ILE 107 6.313 -10.854 3.922 392 HD13 ILE 107 2HD1 ILE 107 6.045 -9.522 5.050 393 H HIS 108 H HIS 108 1.637 -7.869 3.765 394 HA HIS 108 HA HIS 108 -0.515 -9.642 3.202 395 HB2 HIS 108 2HB HIS 108 -0.157 -8.592 5.444 396 HB3 HIS 108 1HB HIS 108 -0.575 -7.021 4.773 397 HD1 HIS 108 HD1 HIS 108 -2.586 -6.689 6.265 398 HD2 HIS 108 HD2 HIS 108 -2.832 -10.189 4.059 399 HE1 HIS 108 HE1 HIS 108 -4.926 -7.503 6.580 400 HE2 HIS 108 HE2 HIS 108 -5.115 -9.448 5.010 401 H ALA 109 H ALA 109 0.093 -6.272 2.288 402 HA ALA 109 HA ALA 109 -2.431 -5.658 1.192 403 HB1 ALA 109 3HB ALA 109 -0.790 -3.941 1.814 404 HB2 ALA 109 1HB ALA 109 -1.324 -3.744 0.145 405 HB3 ALA 109 2HB ALA 109 0.260 -4.448 0.491 406 H ARG 110 H ARG 110 0.578 -6.847 -0.365 407 HA ARG 110 HA ARG 110 -0.496 -6.779 -3.027 408 HB2 ARG 110 2HB ARG 110 2.005 -6.661 -2.316 409 HB3 ARG 110 1HB ARG 110 1.944 -8.415 -2.193 410 HG2 ARG 110 2HG ARG 110 1.371 -8.593 -4.567 411 HG3 ARG 110 1HG ARG 110 1.286 -6.837 -4.709 412 HD2 ARG 110 2HD ARG 110 3.737 -6.753 -4.094 413 HD3 ARG 110 1HD ARG 110 3.760 -8.521 -4.197 414 HE ARG 110 HE ARG 110 2.681 -7.639 -6.585 415 HH11 ARG 110 1HH1 ARG 110 5.753 -7.249 -4.911 416 HH12 ARG 110 2HH1 ARG 110 6.659 -7.033 -6.376 417 HH21 ARG 110 1HH2 ARG 110 3.869 -7.294 -8.505 418 HH22 ARG 110 2HH2 ARG 110 5.587 -7.062 -8.417 419 H ALA 111 H ALA 111 -0.417 -9.119 -0.439 420 HA ALA 111 HA ALA 111 -1.186 -11.448 -1.881 421 HB1 ALA 111 3HB ALA 111 -0.328 -11.574 0.428 422 HB2 ALA 111 1HB ALA 111 -1.914 -12.340 0.301 423 HB3 ALA 111 2HB ALA 111 -1.759 -10.735 1.026 424 H LEU 112 H LEU 112 -3.042 -8.961 -0.117 425 HA LEU 112 HA LEU 112 -5.626 -10.038 -0.530 426 HB2 LEU 112 2HB LEU 112 -4.762 -7.180 0.055 427 HB3 LEU 112 1HB LEU 112 -6.442 -7.698 0.052 428 HG LEU 112 HG LEU 112 -4.298 -8.755 1.942 429 HD11 LEU 112 1HD1 LEU 112 -5.431 -7.451 3.689 430 HD12 LEU 112 2HD1 LEU 112 -6.544 -6.787 2.490 431 HD13 LEU 112 3HD1 LEU 112 -4.820 -6.415 2.400 432 HD21 LEU 112 3HD2 LEU 112 -6.137 -9.836 3.162 433 HD22 LEU 112 1HD2 LEU 112 -6.027 -10.441 1.509 434 HD23 LEU 112 2HD2 LEU 112 -7.291 -9.289 1.941 435 H VAL 113 H VAL 113 -3.755 -7.623 -2.362 436 HA VAL 113 HA VAL 113 -5.737 -6.978 -4.262 437 HB VAL 113 HB VAL 113 -2.706 -6.905 -4.697 438 HG11 VAL 113 1HG1 VAL 113 -3.924 -6.816 -6.813 439 HG12 VAL 113 2HG1 VAL 113 -3.254 -5.227 -6.459 440 HG13 VAL 113 3HG1 VAL 113 -4.972 -5.533 -6.203 441 HG21 VAL 113 3HG2 VAL 113 -2.829 -4.520 -4.090 442 HG22 VAL 113 1HG2 VAL 113 -3.380 -5.531 -2.755 443 HG23 VAL 113 2HG2 VAL 113 -4.556 -4.677 -3.751 444 H ARG 114 H ARG 114 -3.123 -9.390 -4.326 445 HA ARG 114 HA ARG 114 -3.484 -10.357 -6.944 446 HB2 ARG 114 2HB ARG 114 -1.460 -10.763 -5.581 447 HB3 ARG 114 1HB ARG 114 -2.387 -11.771 -4.477 448 HG2 ARG 114 2HG ARG 114 -2.814 -13.347 -6.406 449 HG3 ARG 114 1HG ARG 114 -1.707 -12.368 -7.370 450 HD2 ARG 114 2HD ARG 114 0.102 -12.829 -5.747 451 HD3 ARG 114 1HD ARG 114 -1.008 -13.814 -4.794 452 HE ARG 114 HE ARG 114 0.121 -14.469 -7.431 453 HH11 ARG 114 1HH1 ARG 114 -1.802 -15.517 -4.666 454 HH12 ARG 114 2HH1 ARG 114 -1.716 -17.193 -5.111 455 HH21 ARG 114 1HH2 ARG 114 0.262 -16.668 -7.957 456 HH22 ARG 114 2HH2 ARG 114 -0.554 -17.838 -6.969 457 H GLU 115 H GLU 115 -4.747 -11.594 -3.829 458 HA GLU 115 HA GLU 115 -5.956 -13.926 -4.905 459 HB2 GLU 115 2HB GLU 115 -6.660 -12.563 -2.260 460 HB3 GLU 115 1HB GLU 115 -7.008 -14.224 -2.713 461 HG2 GLU 115 2HG GLU 115 -4.342 -13.007 -2.015 462 HG3 GLU 115 1HG GLU 115 -5.179 -14.333 -1.220 463 H CYS 116 H CYS 116 -7.197 -10.685 -4.159 464 HA CYS 116 HA CYS 116 -9.931 -11.318 -4.734 465 HB2 CYS 116 2HB CYS 116 -8.568 -8.611 -4.619 466 HB3 CYS 116 1HB CYS 116 -10.309 -8.890 -4.620 467 HG CYS 116 HG CYS 116 -8.350 -10.224 -2.161 468 H LEU 117 H LEU 117 -7.199 -10.119 -6.688 469 HA LEU 117 HA LEU 117 -8.405 -9.178 -8.998 470 HB2 LEU 117 2HB LEU 117 -5.808 -10.615 -8.481 471 HB3 LEU 117 1HB LEU 117 -6.292 -10.464 -10.156 472 HG LEU 117 HG LEU 117 -5.941 -8.073 -8.299 473 HD11 LEU 117 1HD1 LEU 117 -3.966 -9.204 -10.330 474 HD12 LEU 117 2HD1 LEU 117 -3.802 -9.257 -8.572 475 HD13 LEU 117 3HD1 LEU 117 -3.774 -7.708 -9.406 476 HD21 LEU 117 3HD2 LEU 117 -7.445 -7.665 -10.190 477 HD22 LEU 117 1HD2 LEU 117 -6.229 -8.257 -11.326 478 HD23 LEU 117 2HD2 LEU 117 -5.943 -6.776 -10.404 479 H ALA 118 H ALA 118 -8.026 -12.490 -7.918 480 HA ALA 118 HA ALA 118 -8.659 -13.902 -10.250 481 HB1 ALA 118 3HB ALA 118 -7.693 -14.982 -8.275 482 HB2 ALA 118 1HB ALA 118 -9.178 -15.800 -8.761 483 HB3 ALA 118 2HB ALA 118 -9.183 -14.707 -7.372 484 H GLU 119 H GLU 119 -10.869 -12.894 -7.567 485 HA GLU 119 HA GLU 119 -13.189 -13.816 -9.009 486 HB2 GLU 119 2HB GLU 119 -14.435 -13.167 -7.009 487 HB3 GLU 119 1HB GLU 119 -13.024 -14.118 -6.579 488 HG2 GLU 119 2HG GLU 119 -11.848 -12.058 -5.862 489 HG3 GLU 119 1HG GLU 119 -13.255 -11.104 -6.331 490 H THR 120 H THR 120 -11.478 -10.842 -8.627 491 HA THR 120 HA THR 120 -13.581 -8.999 -9.215 492 HB THR 120 HB THR 120 -10.546 -8.594 -9.425 493 HG1 THR 120 HG1 THR 120 -11.786 -9.138 -7.297 494 HG21 THR 120 3HG2 THR 120 -11.051 -6.172 -9.162 495 HG22 THR 120 1HG2 THR 120 -12.782 -6.513 -9.213 496 HG23 THR 120 2HG2 THR 120 -11.779 -6.804 -10.637 497 H GLU 121 H GLU 121 -11.583 -11.080 -11.137 498 HA GLU 121 HA GLU 121 -11.578 -10.025 -13.672 499 HB2 GLU 121 2HB GLU 121 -10.608 -12.227 -13.089 500 HB3 GLU 121 1HB GLU 121 -12.216 -12.931 -12.954 501 HG2 GLU 121 2HG GLU 121 -12.601 -12.480 -15.355 502 HG3 GLU 121 1HG GLU 121 -10.994 -11.771 -15.483 503 H ARG 122 H ARG 122 -14.345 -11.444 -11.986 504 HA ARG 122 HA ARG 122 -16.196 -11.764 -14.041 505 HB2 ARG 122 2HB ARG 122 -16.498 -12.589 -11.691 506 HB3 ARG 122 1HB ARG 122 -16.773 -10.935 -11.158 507 HG2 ARG 122 2HG ARG 122 -18.916 -12.004 -11.364 508 HG3 ARG 122 1HG ARG 122 -18.784 -10.841 -12.683 509 HD2 ARG 122 2HD ARG 122 -19.732 -12.839 -13.592 510 HD3 ARG 122 1HD ARG 122 -18.072 -12.748 -14.185 511 HE ARG 122 HE ARG 122 -18.603 -14.311 -11.784 512 HH11 ARG 122 1HH1 ARG 122 -17.916 -14.417 -15.241 513 HH12 ARG 122 2HH1 ARG 122 -17.445 -16.085 -15.217 514 HH21 ARG 122 1HH2 ARG 122 -17.903 -16.483 -11.750 515 HH22 ARG 122 2HH2 ARG 122 -17.439 -17.242 -13.241 516 H ASN 123 H ASN 123 -15.331 -8.903 -12.183 517 HA ASN 123 HA ASN 123 -17.140 -7.171 -13.770 518 HB2 ASN 123 2HB ASN 123 -17.493 -7.040 -11.330 519 HB3 ASN 123 1HB ASN 123 -15.784 -6.706 -11.063 520 HD21 ASN 123 1HD2 ASN 123 -16.015 -4.693 -10.143 521 HD22 ASN 123 2HD2 ASN 123 -16.625 -3.320 -10.992 522 H ALA 124 H ALA 124 -15.958 -6.498 -15.546 523 HA ALA 124 HA ALA 124 -13.195 -5.471 -15.116 524 HB1 ALA 124 3HB ALA 124 -12.584 -6.346 -17.320 525 HB2 ALA 124 1HB ALA 124 -14.206 -7.011 -17.536 526 HB3 ALA 124 2HB ALA 124 -13.148 -7.650 -16.275 527 H ARG 125 H ARG 125 -14.428 -3.492 -14.760 528 HA ARG 125 HA ARG 125 -15.464 -2.119 -17.127 529 HB2 ARG 125 2HB ARG 125 -15.329 -1.160 -14.225 530 HB3 ARG 125 1HB ARG 125 -16.119 -0.319 -15.552 531 HG2 ARG 125 2HG ARG 125 -16.944 -3.007 -14.426 532 HG3 ARG 125 1HG ARG 125 -17.732 -1.468 -14.099 533 HD2 ARG 125 2HD ARG 125 -19.096 -2.564 -15.711 534 HD3 ARG 125 1HD ARG 125 -18.212 -1.334 -16.613 535 HE ARG 125 HE ARG 125 -16.885 -3.032 -17.612 536 HH11 ARG 125 1HH1 ARG 125 -19.478 -4.384 -15.633 537 HH12 ARG 125 2HH1 ARG 125 -19.365 -5.957 -16.357 538 HH21 ARG 125 1HH2 ARG 125 -16.698 -5.121 -18.476 539 HH22 ARG 125 2HH2 ARG 125 -17.789 -6.371 -17.962 540 H THR 126 H THR 126 -12.731 -2.008 -14.889 541 HA THR 126 HA THR 126 -11.238 -0.377 -16.793 542 HB THR 126 HB THR 126 -11.421 0.324 -13.809 543 HG1 THR 126 HG1 THR 126 -12.612 1.306 -16.138 544 HG21 THR 126 3HG2 THR 126 -9.735 1.626 -15.997 545 HG22 THR 126 1HG2 THR 126 -9.100 0.688 -14.645 546 HG23 THR 126 2HG2 THR 126 -9.907 2.232 -14.351 547 H1 SER 58 1H SER 58 -10.076 -9.153 8.168 548 H2 SER 58 2H SER 58 -8.706 -8.381 7.575 549 H3 SER 58 3H SER 58 -8.576 -9.411 8.896 550 HA SER 58 HA SER 58 -9.167 -11.291 7.564 551 HB2 SER 58 2HB SER 58 -9.254 -9.302 5.263 552 HB3 SER 58 1HB SER 58 -9.522 -11.043 5.134 553 HG SER 58 HG SER 58 -11.530 -10.409 5.383 554 H HIS 59 H HIS 59 -7.022 -10.798 8.783 555 HA HIS 59 HA HIS 59 -4.704 -10.402 7.081 556 HB2 HIS 59 2HB HIS 59 -3.373 -10.887 9.154 557 HB3 HIS 59 1HB HIS 59 -4.518 -9.566 9.353 558 HD1 HIS 59 HD1 HIS 59 -3.703 -12.963 10.628 559 HD2 HIS 59 HD2 HIS 59 -6.697 -10.130 11.100 560 HE1 HIS 59 HE1 HIS 59 -4.986 -13.672 12.661 561 HE2 HIS 59 HE2 HIS 59 -6.720 -11.887 12.984 562 H MET 60 H MET 60 -5.333 -12.064 5.582 563 HA MET 60 HA MET 60 -4.050 -14.600 6.022 564 HB2 MET 60 2HB MET 60 -6.068 -16.006 5.523 565 HB3 MET 60 1HB MET 60 -6.220 -15.139 7.041 566 HG2 MET 60 2HG MET 60 -7.762 -13.551 6.051 567 HG3 MET 60 1HG MET 60 -7.520 -14.254 4.453 568 HE1 MET 60 3HE MET 60 -7.860 -16.292 7.831 569 HE2 MET 60 1HE MET 60 -9.596 -16.596 7.875 570 HE3 MET 60 2HE MET 60 -8.984 -14.958 8.100 571 H ALA 61 H ALA 61 -3.378 -15.472 4.146 572 HA ALA 61 HA ALA 61 -4.026 -14.221 1.586 573 HB1 ALA 61 3HB ALA 61 -2.169 -16.534 2.273 574 HB2 ALA 61 1HB ALA 61 -1.688 -14.854 2.033 575 HB3 ALA 61 2HB ALA 61 -2.331 -15.788 0.681 576 H MET 62 H MET 62 -5.580 -14.991 0.294 577 HA MET 62 HA MET 62 -7.157 -17.328 0.935 578 HB2 MET 62 2HB MET 62 -7.226 -15.441 -1.461 579 HB3 MET 62 1HB MET 62 -8.446 -16.649 -1.102 580 HG2 MET 62 2HG MET 62 -9.193 -15.455 0.827 581 HG3 MET 62 1HG MET 62 -7.786 -14.388 0.789 582 HE1 MET 62 3HE MET 62 -9.868 -15.458 -2.474 583 HE2 MET 62 1HE MET 62 -11.108 -14.202 -2.459 584 HE3 MET 62 2HE MET 62 -11.085 -15.428 -1.194 585 H LYS 63 H LYS 63 -7.770 -18.524 -1.437 586 HA LYS 63 HA LYS 63 -5.499 -19.083 -3.104 587 HB2 LYS 63 2HB LYS 63 -5.555 -21.618 -2.612 588 HB3 LYS 63 1HB LYS 63 -4.756 -20.593 -1.428 589 HG2 LYS 63 2HG LYS 63 -6.641 -20.745 0.093 590 HG3 LYS 63 1HG LYS 63 -7.615 -21.577 -1.121 591 HD2 LYS 63 2HD LYS 63 -6.714 -23.111 0.629 592 HD3 LYS 63 1HD LYS 63 -6.206 -23.552 -0.999 593 HE2 LYS 63 2HE LYS 63 -4.339 -23.794 0.543 594 HE3 LYS 63 1HE LYS 63 -3.999 -22.477 -0.576 595 HZ1 LYS 63 3HZ LYS 63 -4.953 -22.192 2.221 596 HZ2 LYS 63 1HZ LYS 63 -4.672 -20.911 1.161 597 HZ3 LYS 63 2HZ LYS 63 -3.386 -21.878 1.672 598 HA PRO 64 HA PRO 64 -9.703 -19.784 -5.088 599 HB2 PRO 64 2HB PRO 64 -9.086 -17.521 -6.897 600 HB3 PRO 64 1HB PRO 64 -10.438 -17.706 -5.763 601 HG2 PRO 64 2HG PRO 64 -8.454 -15.887 -5.376 602 HG3 PRO 64 1HG PRO 64 -9.333 -16.644 -4.028 603 HD2 PRO 64 2HD PRO 64 -6.626 -17.370 -5.163 604 HD3 PRO 64 1HD PRO 64 -7.141 -17.192 -3.466 605 HA PRO 65 HA PRO 65 -7.742 -22.172 -8.433 606 HB2 PRO 65 2HB PRO 65 -10.396 -21.866 -9.863 607 HB3 PRO 65 1HB PRO 65 -9.480 -23.333 -9.445 608 HG2 PRO 65 2HG PRO 65 -11.652 -22.697 -8.077 609 HG3 PRO 65 1HG PRO 65 -10.228 -23.354 -7.231 610 HD2 PRO 65 2HD PRO 65 -11.160 -20.482 -7.422 611 HD3 PRO 65 1HD PRO 65 -10.538 -21.379 -6.017 612 H GLY 66 H GLY 66 -9.107 -19.020 -8.940 613 HA2 GLY 66 2HA GLY 66 -8.280 -18.659 -11.687 614 HA3 GLY 66 1HA GLY 66 -8.913 -17.437 -10.598 615 H ALA 67 H ALA 67 -7.213 -16.220 -11.792 616 HA ALA 67 HA ALA 67 -4.693 -16.097 -10.272 617 HB1 ALA 67 3HB ALA 67 -4.173 -17.469 -12.258 618 HB2 ALA 67 1HB ALA 67 -3.372 -15.902 -12.364 619 HB3 ALA 67 2HB ALA 67 -4.824 -16.218 -13.318 620 H GLN 68 H GLN 68 -3.555 -13.999 -11.941 621 HA GLN 68 HA GLN 68 -4.924 -11.689 -11.102 622 HB2 GLN 68 2HB GLN 68 -2.910 -12.010 -13.369 623 HB3 GLN 68 1HB GLN 68 -3.457 -10.462 -12.734 624 HG2 GLN 68 2HG GLN 68 -2.463 -10.931 -10.576 625 HG3 GLN 68 1HG GLN 68 -1.993 -12.550 -11.098 626 HE21 GLN 68 1HE2 GLN 68 -1.400 -9.108 -11.573 627 HE22 GLN 68 2HE2 GLN 68 0.169 -9.285 -12.262 628 H GLY 69 H GLY 69 -7.072 -11.705 -11.665 629 HA2 GLY 69 2HA GLY 69 -8.040 -12.234 -14.326 630 HA3 GLY 69 1HA GLY 69 -8.981 -11.695 -12.942 631 H SER 70 H SER 70 -9.305 -10.743 -15.575 632 HA SER 70 HA SER 70 -7.867 -8.531 -16.388 633 HB2 SER 70 2HB SER 70 -9.522 -9.756 -17.799 634 HB3 SER 70 1HB SER 70 -10.841 -9.035 -16.877 635 HG SER 70 HG SER 70 -10.412 -7.096 -17.772 636 H GLN 71 H GLN 71 -7.446 -6.788 -15.154 637 HA GLN 71 HA GLN 71 -9.441 -4.909 -14.400 638 HB2 GLN 71 2HB GLN 71 -9.633 -6.732 -12.562 639 HB3 GLN 71 1HB GLN 71 -8.051 -6.196 -11.990 640 HG2 GLN 71 2HG GLN 71 -9.805 -5.126 -10.698 641 HG3 GLN 71 1HG GLN 71 -8.963 -3.913 -11.654 642 HE21 GLN 71 1HE2 GLN 71 -11.398 -6.085 -13.004 643 HE22 GLN 71 2HE2 GLN 71 -12.570 -4.858 -13.295 644 H SER 72 H SER 72 -8.301 -3.132 -14.973 645 HA SER 72 HA SER 72 -5.422 -3.253 -15.251 646 HB2 SER 72 2HB SER 72 -6.848 -2.305 -17.071 647 HB3 SER 72 1HB SER 72 -7.352 -0.994 -15.995 648 HG SER 72 HG SER 72 -5.259 -0.228 -15.984 649 H THR 73 H THR 73 -7.820 -1.274 -13.442 650 HA THR 73 HA THR 73 -5.944 0.479 -12.232 651 HB THR 73 HB THR 73 -8.298 1.127 -12.491 652 HG1 THR 73 HG1 THR 73 -7.023 1.953 -10.689 653 HG21 THR 73 3HG2 THR 73 -8.950 -1.015 -10.427 654 HG22 THR 73 1HG2 THR 73 -9.408 -1.040 -12.132 655 HG23 THR 73 2HG2 THR 73 -10.080 0.187 -11.059 656 H TYR 74 H TYR 74 -7.265 -2.635 -11.322 657 HA TYR 74 HA TYR 74 -6.304 -2.511 -8.586 658 HB2 TYR 74 2HB TYR 74 -8.456 -3.661 -9.435 659 HB3 TYR 74 1HB TYR 74 -7.408 -4.954 -10.002 660 HD1 TYR 74 HD1 TYR 74 -6.960 -3.066 -6.826 661 HD2 TYR 74 HD2 TYR 74 -8.285 -6.707 -8.608 662 HE1 TYR 74 HE1 TYR 74 -7.143 -4.087 -4.613 663 HE2 TYR 74 HE2 TYR 74 -8.459 -7.732 -6.383 664 HH TYR 74 HH TYR 74 -7.479 -7.377 -4.084 665 H THR 75 H THR 75 -5.178 -3.764 -11.664 666 HA THR 75 HA THR 75 -2.942 -5.230 -10.502 667 HB THR 75 HB THR 75 -3.510 -4.405 -13.390 668 HG1 THR 75 HG1 THR 75 -4.933 -5.974 -12.405 669 HG21 THR 75 3HG2 THR 75 -1.072 -4.753 -13.070 670 HG22 THR 75 1HG2 THR 75 -1.769 -6.056 -14.032 671 HG23 THR 75 2HG2 THR 75 -1.377 -6.328 -12.333 672 H ASP 76 H ASP 76 -3.652 -2.026 -11.773 673 HA ASP 76 HA ASP 76 -1.079 -0.882 -11.647 674 HB2 ASP 76 2HB ASP 76 -2.998 0.275 -12.716 675 HB3 ASP 76 1HB ASP 76 -3.782 0.456 -11.151 676 H LEU 77 H LEU 77 -3.651 -1.305 -9.233 677 HA LEU 77 HA LEU 77 -2.350 -0.168 -7.012 678 HB2 LEU 77 2HB LEU 77 -4.754 -0.622 -7.011 679 HB3 LEU 77 1HB LEU 77 -4.466 -2.352 -7.151 680 HG LEU 77 HG LEU 77 -3.528 -2.435 -4.886 681 HD11 LEU 77 1HD1 LEU 77 -2.409 -0.273 -4.799 682 HD12 LEU 77 2HD1 LEU 77 -3.457 -0.496 -3.404 683 HD13 LEU 77 3HD1 LEU 77 -3.965 0.559 -4.728 684 HD21 LEU 77 3HD2 LEU 77 -5.952 -2.648 -5.082 685 HD22 LEU 77 1HD2 LEU 77 -6.148 -0.903 -4.900 686 HD23 LEU 77 2HD2 LEU 77 -5.510 -1.875 -3.569 687 H LEU 78 H LEU 78 -2.410 -3.508 -8.251 688 HA LEU 78 HA LEU 78 -0.881 -4.815 -6.310 689 HB2 LEU 78 2HB LEU 78 -2.135 -5.872 -8.240 690 HB3 LEU 78 1HB LEU 78 -0.857 -5.326 -9.309 691 HG LEU 78 HG LEU 78 0.765 -6.774 -7.973 692 HD11 LEU 78 1HD1 LEU 78 -0.522 -6.964 -5.905 693 HD12 LEU 78 2HD1 LEU 78 -0.148 -8.552 -6.563 694 HD13 LEU 78 3HD1 LEU 78 -1.775 -7.887 -6.740 695 HD21 LEU 78 3HD2 LEU 78 -1.526 -8.214 -9.358 696 HD22 LEU 78 1HD2 LEU 78 0.081 -8.877 -9.049 697 HD23 LEU 78 2HD2 LEU 78 -0.110 -7.508 -10.141 698 H SER 79 H SER 79 0.072 -2.920 -9.129 699 HA SER 79 HA SER 79 2.888 -3.186 -8.887 700 HB2 SER 79 2HB SER 79 1.847 -2.533 -11.005 701 HB3 SER 79 1HB SER 79 1.207 -1.055 -10.285 702 HG SER 79 HG SER 79 3.901 -1.273 -9.928 703 H VAL 80 H VAL 80 0.545 -0.721 -7.687 704 HA VAL 80 HA VAL 80 2.374 1.162 -6.720 705 HB VAL 80 HB VAL 80 -0.412 0.557 -5.587 706 HG11 VAL 80 1HG1 VAL 80 1.299 3.059 -5.172 707 HG12 VAL 80 2HG1 VAL 80 0.924 1.840 -3.949 708 HG13 VAL 80 3HG1 VAL 80 -0.364 2.830 -4.625 709 HG21 VAL 80 3HG2 VAL 80 -1.175 2.501 -6.906 710 HG22 VAL 80 1HG2 VAL 80 -0.533 1.227 -7.935 711 HG23 VAL 80 2HG2 VAL 80 0.433 2.663 -7.617 712 H ILE 81 H ILE 81 0.921 -1.681 -5.121 713 HA ILE 81 HA ILE 81 1.861 -1.372 -2.550 714 HB ILE 81 HB ILE 81 1.634 -4.049 -4.000 715 HG12 ILE 81 2HG1 ILE 81 -0.466 -2.827 -4.251 716 HG13 ILE 81 1HG1 ILE 81 -0.703 -4.142 -3.119 717 HG21 ILE 81 1HG2 ILE 81 1.154 -4.932 -1.718 718 HG22 ILE 81 2HG2 ILE 81 1.523 -3.344 -1.046 719 HG23 ILE 81 3HG2 ILE 81 2.777 -4.265 -1.873 720 HD11 ILE 81 3HD1 ILE 81 -1.882 -2.155 -2.406 721 HD12 ILE 81 1HD1 ILE 81 -0.393 -1.212 -2.429 722 HD13 ILE 81 2HD1 ILE 81 -0.595 -2.519 -1.260 723 H GLU 82 H GLU 82 3.502 -2.949 -5.309 724 HA GLU 82 HA GLU 82 5.947 -3.545 -3.954 725 HB2 GLU 82 2HB GLU 82 5.320 -4.721 -6.020 726 HB3 GLU 82 1HB GLU 82 5.328 -3.211 -6.929 727 HG2 GLU 82 2HG GLU 82 7.753 -3.005 -6.635 728 HG3 GLU 82 1HG GLU 82 7.770 -4.448 -5.625 729 H GLU 83 H GLU 83 4.897 -0.827 -5.966 730 HA GLU 83 HA GLU 83 7.314 0.567 -6.210 731 HB2 GLU 83 2HB GLU 83 4.426 1.491 -6.326 732 HB3 GLU 83 1HB GLU 83 5.775 2.566 -6.668 733 HG2 GLU 83 2HG GLU 83 5.116 0.032 -8.188 734 HG3 GLU 83 1HG GLU 83 4.752 1.670 -8.718 735 H MET 84 H MET 84 5.010 0.457 -3.622 736 HA MET 84 HA MET 84 6.189 2.638 -2.107 737 HB2 MET 84 2HB MET 84 4.065 0.552 -1.395 738 HB3 MET 84 1HB MET 84 4.577 1.856 -0.324 739 HG2 MET 84 2HG MET 84 3.805 3.519 -2.000 740 HG3 MET 84 1HG MET 84 3.260 2.198 -3.031 741 HE1 MET 84 3HE MET 84 2.040 0.170 -0.728 742 HE2 MET 84 1HE MET 84 1.240 0.479 -2.272 743 HE3 MET 84 2HE MET 84 0.352 0.675 -0.764 744 H GLY 85 H GLY 85 6.052 -0.927 -2.009 745 HA2 GLY 85 2HA GLY 85 7.388 -1.404 0.390 746 HA3 GLY 85 1HA GLY 85 7.250 -2.540 -0.937 747 H LYS 86 H LYS 86 8.719 -0.576 -2.687 748 HA LYS 86 HA LYS 86 11.411 -1.553 -2.063 749 HB2 LYS 86 2HB LYS 86 11.976 -0.719 -4.329 750 HB3 LYS 86 1HB LYS 86 10.615 -1.835 -4.348 751 HG2 LYS 86 2HG LYS 86 9.062 0.132 -4.472 752 HG3 LYS 86 1HG LYS 86 10.468 1.192 -4.594 753 HD2 LYS 86 2HD LYS 86 9.760 -1.017 -6.570 754 HD3 LYS 86 1HD LYS 86 9.442 0.703 -6.804 755 HE2 LYS 86 2HE LYS 86 11.889 1.140 -6.679 756 HE3 LYS 86 1HE LYS 86 12.159 -0.603 -6.533 757 HZ1 LYS 86 3HZ LYS 86 10.987 -0.848 -8.701 758 HZ2 LYS 86 1HZ LYS 86 12.448 -0.005 -8.800 759 HZ3 LYS 86 2HZ LYS 86 10.987 0.834 -8.850 760 H GLU 87 H GLU 87 9.624 1.502 -2.340 761 HA GLU 87 HA GLU 87 12.006 3.121 -1.881 762 HB2 GLU 87 2HB GLU 87 9.118 3.868 -2.429 763 HB3 GLU 87 1HB GLU 87 10.371 5.059 -2.068 764 HG2 GLU 87 2HG GLU 87 11.688 4.181 -4.028 765 HG3 GLU 87 1HG GLU 87 10.313 3.150 -4.429 766 H ILE 88 H ILE 88 10.208 1.391 0.195 767 HA ILE 88 HA ILE 88 9.963 3.122 2.417 768 HB ILE 88 HB ILE 88 10.421 0.103 2.265 769 HG12 ILE 88 2HG1 ILE 88 7.869 1.729 2.759 770 HG13 ILE 88 1HG1 ILE 88 8.297 0.916 1.259 771 HG21 ILE 88 1HG2 ILE 88 11.166 0.899 4.469 772 HG22 ILE 88 2HG2 ILE 88 9.679 -0.032 4.615 773 HG23 ILE 88 3HG2 ILE 88 9.629 1.730 4.715 774 HD11 ILE 88 3HD1 ILE 88 8.165 -1.238 2.364 775 HD12 ILE 88 1HD1 ILE 88 6.659 -0.336 2.518 776 HD13 ILE 88 2HD1 ILE 88 7.762 -0.443 3.888 777 H ARG 89 H ARG 89 12.693 1.289 1.083 778 HA ARG 89 HA ARG 89 14.441 1.642 3.299 779 HB2 ARG 89 2HB ARG 89 14.819 -0.158 1.669 780 HB3 ARG 89 1HB ARG 89 15.197 1.016 0.410 781 HG2 ARG 89 2HG ARG 89 17.159 1.782 1.789 782 HG3 ARG 89 1HG ARG 89 16.800 0.497 2.946 783 HD2 ARG 89 2HD ARG 89 17.145 -1.190 1.152 784 HD3 ARG 89 1HD ARG 89 17.546 0.111 0.024 785 HE ARG 89 HE ARG 89 19.298 0.489 2.078 786 HH11 ARG 89 1HH1 ARG 89 18.554 -2.297 0.026 787 HH12 ARG 89 2HH1 ARG 89 20.155 -2.960 0.145 788 HH21 ARG 89 1HH2 ARG 89 21.399 -0.397 2.204 789 HH22 ARG 89 2HH2 ARG 89 21.767 -1.878 1.380 790 HA PRO 90 HA PRO 90 16.433 5.465 1.014 791 HB2 PRO 90 2HB PRO 90 14.852 6.757 -0.880 792 HB3 PRO 90 1HB PRO 90 16.151 5.609 -1.261 793 HG2 PRO 90 2HG PRO 90 13.195 5.115 -1.106 794 HG3 PRO 90 1HG PRO 90 14.378 4.523 -2.295 795 HD2 PRO 90 2HD PRO 90 13.477 2.958 -0.299 796 HD3 PRO 90 1HD PRO 90 15.154 2.846 -0.880 797 H THR 91 H THR 91 12.830 5.474 1.323 798 HA THR 91 HA THR 91 12.469 7.963 2.566 799 HB THR 91 HB THR 91 11.019 5.314 3.035 800 HG1 THR 91 HG1 THR 91 9.992 5.883 1.289 801 HG21 THR 91 3HG2 THR 91 10.621 6.735 5.011 802 HG22 THR 91 1HG2 THR 91 9.161 6.650 4.023 803 HG23 THR 91 2HG2 THR 91 10.178 8.091 3.975 804 H TYR 92 H TYR 92 13.167 4.821 4.022 805 HA TYR 92 HA TYR 92 13.456 5.505 6.707 806 HB2 TYR 92 2HB TYR 92 13.214 3.194 5.981 807 HB3 TYR 92 1HB TYR 92 14.696 3.269 5.033 808 HD1 TYR 92 HD2 TYR 92 13.572 3.787 8.590 809 HD2 TYR 92 HD1 TYR 92 16.586 2.264 5.987 810 HE1 TYR 92 HE2 TYR 92 14.822 2.989 10.502 811 HE2 TYR 92 HE1 TYR 92 17.860 1.446 7.930 812 HH TYR 92 HH TYR 92 18.042 1.913 10.320 813 H ALA 93 H ALA 93 15.677 5.801 4.007 814 HA ALA 93 HA ALA 93 18.066 6.287 5.570 815 HB1 ALA 93 3HB ALA 93 19.140 6.652 3.390 816 HB2 ALA 93 1HB ALA 93 17.559 6.660 2.595 817 HB3 ALA 93 2HB ALA 93 18.154 5.191 3.365 818 H GLY 94 H GLY 94 15.398 8.189 5.018 819 HA2 GLY 94 2HA GLY 94 15.152 10.379 5.814 820 HA3 GLY 94 1HA GLY 94 16.855 10.679 5.514 821 H SER 95 H SER 95 15.763 9.200 2.742 822 HA SER 95 HA SER 95 15.819 11.559 1.200 823 HB2 SER 95 2HB SER 95 14.721 8.843 0.385 824 HB3 SER 95 1HB SER 95 15.165 10.152 -0.717 825 HG SER 95 HG SER 95 17.053 9.215 1.124 826 H LYS 96 H LYS 96 14.325 13.079 1.692 827 HA LYS 96 HA LYS 96 11.598 12.782 2.196 828 HB2 LYS 96 2HB LYS 96 11.432 15.205 1.686 829 HB3 LYS 96 1HB LYS 96 12.811 14.830 2.708 830 HG2 LYS 96 2HG LYS 96 14.302 14.960 0.723 831 HG3 LYS 96 1HG LYS 96 12.918 15.422 -0.270 832 HD2 LYS 96 2HD LYS 96 14.077 16.996 2.072 833 HD3 LYS 96 1HD LYS 96 14.215 17.406 0.361 834 HE2 LYS 96 2HE LYS 96 11.649 17.351 1.986 835 HE3 LYS 96 1HE LYS 96 12.504 18.791 1.442 836 HZ1 LYS 96 3HZ LYS 96 10.610 18.282 0.034 837 HZ2 LYS 96 1HZ LYS 96 11.251 16.764 -0.340 838 HZ3 LYS 96 2HZ LYS 96 12.049 18.166 -0.842 839 H SER 97 H SER 97 13.282 12.874 -0.885 840 HA SER 97 HA SER 97 11.061 13.317 -2.587 841 HB2 SER 97 2HB SER 97 13.613 11.765 -3.191 842 HB3 SER 97 1HB SER 97 12.496 12.435 -4.388 843 HG SER 97 HG SER 97 14.434 13.687 -2.880 844 H ALA 98 H ALA 98 12.636 10.281 -1.513 845 HA ALA 98 HA ALA 98 10.897 8.443 -2.776 846 HB1 ALA 98 3HB ALA 98 13.095 7.809 -1.933 847 HB2 ALA 98 1HB ALA 98 11.848 6.778 -1.241 848 HB3 ALA 98 2HB ALA 98 12.573 8.067 -0.269 849 H MET 99 H MET 99 10.882 9.937 0.438 850 HA MET 99 HA MET 99 8.665 8.580 1.531 851 HB2 MET 99 2HB MET 99 10.275 9.713 2.937 852 HB3 MET 99 1HB MET 99 9.952 11.264 2.182 853 HG2 MET 99 2HG MET 99 7.788 9.799 3.709 854 HG3 MET 99 1HG MET 99 8.975 10.805 4.536 855 HE1 MET 99 3HE MET 99 9.246 13.430 4.092 856 HE2 MET 99 1HE MET 99 8.260 14.329 2.940 857 HE3 MET 99 2HE MET 99 9.425 13.139 2.359 858 H GLU 100 H GLU 100 8.957 11.501 -0.414 859 HA GLU 100 HA GLU 100 6.263 12.376 -0.180 860 HB2 GLU 100 2HB GLU 100 8.325 13.705 -0.986 861 HB3 GLU 100 1HB GLU 100 8.095 12.930 -2.547 862 HG2 GLU 100 2HG GLU 100 7.072 15.071 -2.692 863 HG3 GLU 100 1HG GLU 100 5.762 13.900 -2.583 864 H ARG 101 H ARG 101 7.870 10.031 -2.194 865 HA ARG 101 HA ARG 101 5.597 9.625 -3.989 866 HB2 ARG 101 2HB ARG 101 8.171 9.334 -4.514 867 HB3 ARG 101 1HB ARG 101 7.994 7.740 -3.797 868 HG2 ARG 101 2HG ARG 101 6.292 8.723 -6.124 869 HG3 ARG 101 1HG ARG 101 7.821 7.881 -6.338 870 HD2 ARG 101 2HD ARG 101 6.922 5.872 -5.282 871 HD3 ARG 101 1HD ARG 101 5.420 6.709 -4.889 872 HE ARG 101 HE ARG 101 4.936 6.842 -7.272 873 HH11 ARG 101 1HH1 ARG 101 7.425 4.528 -6.361 874 HH12 ARG 101 2HH1 ARG 101 7.195 3.571 -7.803 875 HH21 ARG 101 1HH2 ARG 101 4.643 5.539 -9.103 876 HH22 ARG 101 2HH2 ARG 101 5.639 4.142 -9.331 877 H LEU 102 H LEU 102 6.999 8.196 -1.104 878 HA LEU 102 HA LEU 102 5.629 5.722 -1.125 879 HB2 LEU 102 2HB LEU 102 7.717 6.213 0.200 880 HB3 LEU 102 1HB LEU 102 6.777 7.249 1.263 881 HG LEU 102 HG LEU 102 5.462 5.283 2.025 882 HD11 LEU 102 1HD1 LEU 102 5.541 3.915 0.016 883 HD12 LEU 102 2HD1 LEU 102 6.107 3.007 1.411 884 HD13 LEU 102 3HD1 LEU 102 7.270 3.636 0.240 885 HD21 LEU 102 3HD2 LEU 102 7.217 4.169 3.321 886 HD22 LEU 102 1HD2 LEU 102 7.488 5.908 3.265 887 HD23 LEU 102 2HD2 LEU 102 8.459 4.835 2.256 888 H LYS 103 H LYS 103 5.025 8.796 0.611 889 HA LYS 103 HA LYS 103 2.556 8.198 1.759 890 HB2 LYS 103 2HB LYS 103 3.613 10.916 0.839 891 HB3 LYS 103 1HB LYS 103 2.210 10.682 1.881 892 HG2 LYS 103 2HG LYS 103 3.705 9.578 3.576 893 HG3 LYS 103 1HG LYS 103 5.083 9.952 2.542 894 HD2 LYS 103 2HD LYS 103 4.978 11.632 4.269 895 HD3 LYS 103 1HD LYS 103 4.511 12.393 2.747 896 HE2 LYS 103 2HE LYS 103 3.032 13.147 4.524 897 HE3 LYS 103 1HE LYS 103 2.113 12.140 3.402 898 HZ1 LYS 103 3HZ LYS 103 2.454 10.269 4.949 899 HZ2 LYS 103 1HZ LYS 103 1.578 11.528 5.651 900 HZ3 LYS 103 2HZ LYS 103 3.204 11.314 6.032 901 H ARG 104 H ARG 104 3.210 9.903 -1.357 902 HA ARG 104 HA ARG 104 0.525 10.156 -2.164 903 HB2 ARG 104 2HB ARG 104 2.402 11.349 -3.279 904 HB3 ARG 104 1HB ARG 104 2.984 9.832 -3.962 905 HG2 ARG 104 2HG ARG 104 0.976 9.605 -5.307 906 HG3 ARG 104 1HG ARG 104 0.245 11.006 -4.529 907 HD2 ARG 104 2HD ARG 104 1.968 12.461 -5.532 908 HD3 ARG 104 1HD ARG 104 2.710 11.047 -6.293 909 HE ARG 104 HE ARG 104 0.054 11.073 -7.098 910 HH11 ARG 104 1HH1 ARG 104 2.834 13.184 -7.467 911 HH12 ARG 104 2HH1 ARG 104 2.311 13.814 -8.998 912 HH21 ARG 104 1HH2 ARG 104 -0.623 11.871 -9.123 913 HH22 ARG 104 2HH2 ARG 104 0.337 13.069 -9.946 914 H GLY 105 H GLY 105 2.745 7.456 -2.358 915 HA2 GLY 105 2HA GLY 105 1.405 5.680 -4.033 916 HA3 GLY 105 1HA GLY 105 2.415 5.224 -2.664 917 H ILE 106 H ILE 106 1.054 6.199 -0.497 918 HA ILE 106 HA ILE 106 -1.053 4.309 -0.173 919 HB ILE 106 HB ILE 106 0.141 6.452 1.589 920 HG12 ILE 106 2HG1 ILE 106 0.338 4.458 3.172 921 HG13 ILE 106 1HG1 ILE 106 -0.320 3.439 1.909 922 HG21 ILE 106 1HG2 ILE 106 -2.489 5.076 2.297 923 HG22 ILE 106 2HG2 ILE 106 -2.248 6.803 2.015 924 HG23 ILE 106 3HG2 ILE 106 -1.500 6.026 3.406 925 HD11 ILE 106 3HD1 ILE 106 1.631 3.898 0.530 926 HD12 ILE 106 1HD1 ILE 106 2.102 3.266 2.104 927 HD13 ILE 106 2HD1 ILE 106 2.261 4.985 1.758 928 H ILE 107 H ILE 107 -1.138 7.892 -0.699 929 HA ILE 107 HA ILE 107 -3.922 8.246 -0.420 930 HB ILE 107 HB ILE 107 -1.859 9.793 -2.041 931 HG12 ILE 107 2HG1 ILE 107 -2.504 11.654 -0.448 932 HG13 ILE 107 1HG1 ILE 107 -3.578 10.537 0.385 933 HG21 ILE 107 1HG2 ILE 107 -3.611 11.494 -2.609 934 HG22 ILE 107 2HG2 ILE 107 -4.849 10.402 -1.981 935 HG23 ILE 107 3HG2 ILE 107 -3.899 9.937 -3.392 936 HD11 ILE 107 3HD1 ILE 107 -1.504 10.866 1.589 937 HD12 ILE 107 1HD1 ILE 107 -0.576 10.313 0.194 938 HD13 ILE 107 2HD1 ILE 107 -1.642 9.193 1.049 939 H HIS 108 H HIS 108 -1.971 7.480 -3.261 940 HA HIS 108 HA HIS 108 -4.067 7.394 -5.170 941 HB2 HIS 108 2HB HIS 108 -1.658 7.700 -5.772 942 HB3 HIS 108 1HB HIS 108 -1.329 6.042 -5.283 943 HD1 HIS 108 HD1 HIS 108 -0.639 5.168 -7.554 944 HD2 HIS 108 HD2 HIS 108 -4.361 7.006 -7.615 945 HE1 HIS 108 HE1 HIS 108 -1.593 4.692 -9.828 946 HE2 HIS 108 HE2 HIS 108 -3.822 5.846 -9.856 947 H ALA 109 H ALA 109 -2.401 4.887 -3.285 948 HA ALA 109 HA ALA 109 -3.621 2.606 -4.414 949 HB1 ALA 109 3HB ALA 109 -2.763 1.408 -2.439 950 HB2 ALA 109 1HB ALA 109 -2.408 2.952 -1.651 951 HB3 ALA 109 2HB ALA 109 -1.548 2.487 -3.116 952 H ARG 110 H ARG 110 -4.488 4.645 -1.662 953 HA ARG 110 HA ARG 110 -6.581 3.026 -0.610 954 HB2 ARG 110 2HB ARG 110 -5.313 4.871 0.614 955 HB3 ARG 110 1HB ARG 110 -6.249 6.051 -0.297 956 HG2 ARG 110 2HG ARG 110 -8.320 5.241 0.718 957 HG3 ARG 110 1HG ARG 110 -7.441 3.959 1.556 958 HD2 ARG 110 2HD ARG 110 -6.158 5.711 2.811 959 HD3 ARG 110 1HD ARG 110 -7.147 6.949 2.013 960 HE ARG 110 HE ARG 110 -8.806 5.021 3.250 961 HH11 ARG 110 1HH1 ARG 110 -6.691 7.723 4.109 962 HH12 ARG 110 2HH1 ARG 110 -7.547 8.064 5.577 963 HH21 ARG 110 1HH2 ARG 110 -9.890 5.456 5.170 964 HH22 ARG 110 2HH2 ARG 110 -9.380 6.763 6.187 965 H ALA 111 H ALA 111 -6.377 5.563 -3.025 966 HA ALA 111 HA ALA 111 -9.185 5.927 -3.464 967 HB1 ALA 111 3HB ALA 111 -7.536 7.647 -4.075 968 HB2 ALA 111 1HB ALA 111 -8.485 7.153 -5.477 969 HB3 ALA 111 2HB ALA 111 -6.831 6.567 -5.280 970 H LEU 112 H LEU 112 -6.670 3.845 -4.899 971 HA LEU 112 HA LEU 112 -8.194 2.856 -7.090 972 HB2 LEU 112 2HB LEU 112 -5.838 1.589 -5.643 973 HB3 LEU 112 1HB LEU 112 -6.474 1.037 -7.188 974 HG LEU 112 HG LEU 112 -5.242 3.779 -6.699 975 HD11 LEU 112 1HD1 LEU 112 -3.307 2.990 -7.960 976 HD12 LEU 112 2HD1 LEU 112 -4.028 1.384 -8.096 977 HD13 LEU 112 3HD1 LEU 112 -3.563 2.013 -6.514 978 HD21 LEU 112 3HD2 LEU 112 -5.268 4.040 -9.135 979 HD22 LEU 112 1HD2 LEU 112 -6.897 3.849 -8.490 980 HD23 LEU 112 2HD2 LEU 112 -6.108 2.497 -9.305 981 H VAL 113 H VAL 113 -7.845 1.766 -3.729 982 HA VAL 113 HA VAL 113 -9.516 -0.569 -4.033 983 HB VAL 113 HB VAL 113 -8.995 0.966 -1.429 984 HG11 VAL 113 1HG1 VAL 113 -9.444 -1.219 -0.344 985 HG12 VAL 113 2HG1 VAL 113 -9.795 -1.936 -1.917 986 HG13 VAL 113 3HG1 VAL 113 -10.830 -0.655 -1.282 987 HG21 VAL 113 3HG2 VAL 113 -7.312 -1.285 -2.584 988 HG22 VAL 113 1HG2 VAL 113 -7.098 -0.528 -1.003 989 HG23 VAL 113 2HG2 VAL 113 -6.840 0.411 -2.473 990 H ARG 114 H ARG 114 -9.984 2.788 -2.929 991 HA ARG 114 HA ARG 114 -12.554 2.522 -1.836 992 HB2 ARG 114 2HB ARG 114 -11.004 4.394 -1.303 993 HB3 ARG 114 1HB ARG 114 -11.255 5.053 -2.918 994 HG2 ARG 114 2HG ARG 114 -13.660 5.364 -2.399 995 HG3 ARG 114 1HG ARG 114 -13.379 4.730 -0.776 996 HD2 ARG 114 2HD ARG 114 -11.853 6.615 -0.310 997 HD3 ARG 114 1HD ARG 114 -12.130 7.237 -1.940 998 HE ARG 114 HE ARG 114 -13.967 7.300 0.321 999 HH11 ARG 114 1HH1 ARG 114 -13.538 7.921 -3.114 1000 HH12 ARG 114 2HH1 ARG 114 -14.920 8.967 -3.216 1001 HH21 ARG 114 1HH2 ARG 114 -15.778 8.660 0.181 1002 HH22 ARG 114 2HH2 ARG 114 -16.192 9.388 -1.340 1003 H GLU 115 H GLU 115 -11.601 3.907 -4.976 1004 HA GLU 115 HA GLU 115 -14.168 4.542 -5.895 1005 HB2 GLU 115 2HB GLU 115 -11.756 3.812 -7.620 1006 HB3 GLU 115 1HB GLU 115 -13.175 4.714 -8.140 1007 HG2 GLU 115 2HG GLU 115 -11.018 5.619 -6.223 1008 HG3 GLU 115 1HG GLU 115 -11.408 6.284 -7.800 1009 H CYS 116 H CYS 116 -12.437 1.512 -5.897 1010 HA CYS 116 HA CYS 116 -14.230 0.211 -7.772 1011 HB2 CYS 116 2HB CYS 116 -11.982 -0.945 -6.076 1012 HB3 CYS 116 1HB CYS 116 -12.859 -1.810 -7.335 1013 HG CYS 116 HG CYS 116 -10.104 -0.566 -7.789 1014 H LEU 117 H LEU 117 -14.116 0.657 -4.308 1015 HA LEU 117 HA LEU 117 -15.086 -1.612 -3.145 1016 HB2 LEU 117 2HB LEU 117 -15.846 1.249 -2.481 1017 HB3 LEU 117 1HB LEU 117 -16.353 -0.102 -1.480 1018 HG LEU 117 HG LEU 117 -13.462 0.719 -1.979 1019 HD11 LEU 117 1HD1 LEU 117 -15.198 1.115 0.491 1020 HD12 LEU 117 2HD1 LEU 117 -14.670 2.371 -0.633 1021 HD13 LEU 117 3HD1 LEU 117 -13.482 1.517 0.342 1022 HD21 LEU 117 3HD2 LEU 117 -13.694 -1.702 -1.579 1023 HD22 LEU 117 1HD2 LEU 117 -14.565 -1.386 -0.076 1024 HD23 LEU 117 2HD2 LEU 117 -12.872 -0.904 -0.243 1025 H ALA 118 H ALA 118 -17.144 0.933 -4.582 1026 HA ALA 118 HA ALA 118 -19.628 -0.117 -3.889 1027 HB1 ALA 118 3HB ALA 118 -19.310 2.198 -4.661 1028 HB2 ALA 118 1HB ALA 118 -20.594 1.397 -5.566 1029 HB3 ALA 118 2HB ALA 118 -19.000 1.613 -6.294 1030 H GLU 119 H GLU 119 -18.017 -0.405 -7.103 1031 HA GLU 119 HA GLU 119 -19.943 -2.202 -8.151 1032 HB2 GLU 119 2HB GLU 119 -18.344 -2.442 -10.055 1033 HB3 GLU 119 1HB GLU 119 -18.694 -0.770 -9.637 1034 HG2 GLU 119 2HG GLU 119 -16.499 -0.744 -8.347 1035 HG3 GLU 119 1HG GLU 119 -16.169 -2.324 -9.049 1036 H THR 120 H THR 120 -16.880 -2.695 -6.474 1037 HA THR 120 HA THR 120 -16.478 -5.436 -7.057 1038 HB THR 120 HB THR 120 -15.525 -3.791 -4.658 1039 HG1 THR 120 HG1 THR 120 -14.785 -3.215 -6.846 1040 HG21 THR 120 3HG2 THR 120 -13.797 -5.529 -4.326 1041 HG22 THR 120 1HG2 THR 120 -14.500 -6.512 -5.615 1042 HG23 THR 120 2HG2 THR 120 -15.401 -6.227 -4.122 1043 H GLU 121 H GLU 121 -18.318 -3.764 -4.526 1044 HA GLU 121 HA GLU 121 -18.976 -5.718 -2.743 1045 HB2 GLU 121 2HB GLU 121 -19.740 -3.406 -2.445 1046 HB3 GLU 121 1HB GLU 121 -20.881 -3.564 -3.779 1047 HG2 GLU 121 2HG GLU 121 -22.083 -5.332 -2.476 1048 HG3 GLU 121 1HG GLU 121 -20.964 -5.072 -1.147 1049 H ARG 122 H ARG 122 -20.298 -5.359 -6.001 1050 HA ARG 122 HA ARG 122 -22.533 -7.071 -5.822 1051 HB2 ARG 122 2HB ARG 122 -22.140 -5.493 -7.712 1052 HB3 ARG 122 1HB ARG 122 -20.787 -6.477 -8.255 1053 HG2 ARG 122 2HG ARG 122 -22.760 -6.910 -9.634 1054 HG3 ARG 122 1HG ARG 122 -22.324 -8.353 -8.717 1055 HD2 ARG 122 2HD ARG 122 -24.085 -7.708 -7.021 1056 HD3 ARG 122 1HD ARG 122 -24.599 -6.429 -8.122 1057 HE ARG 122 HE ARG 122 -25.012 -8.287 -9.774 1058 HH11 ARG 122 1HH1 ARG 122 -25.222 -8.881 -6.299 1059 HH12 ARG 122 2HH1 ARG 122 -26.348 -10.187 -6.478 1060 HH21 ARG 122 1HH2 ARG 122 -26.495 -10.000 -9.978 1061 HH22 ARG 122 2HH2 ARG 122 -27.064 -10.817 -8.559 1062 H ASN 123 H ASN 123 -19.125 -7.747 -6.588 1063 HA ASN 123 HA ASN 123 -19.634 -10.645 -6.779 1064 HB2 ASN 123 2HB ASN 123 -18.203 -9.477 -8.526 1065 HB3 ASN 123 1HB ASN 123 -17.000 -9.154 -7.277 1066 HD21 ASN 123 1HD2 ASN 123 -15.863 -10.963 -6.393 1067 HD22 ASN 123 2HD2 ASN 123 -15.779 -12.471 -7.226 1068 H ALA 124 H ALA 124 -18.658 -8.341 -4.476 1069 HA ALA 124 HA ALA 124 -16.418 -9.624 -3.313 1070 HB1 ALA 124 3HB ALA 124 -18.191 -7.488 -2.090 1071 HB2 ALA 124 1HB ALA 124 -16.788 -7.194 -3.119 1072 HB3 ALA 124 2HB ALA 124 -16.580 -7.953 -1.540 1073 H ARG 125 H ARG 125 -16.976 -11.720 -2.863 1074 HA ARG 125 HA ARG 125 -18.026 -11.996 -0.109 1075 HB2 ARG 125 2HB ARG 125 -18.382 -14.016 -2.397 1076 HB3 ARG 125 1HB ARG 125 -18.693 -14.375 -0.700 1077 HG2 ARG 125 2HG ARG 125 -20.475 -12.599 -0.694 1078 HG3 ARG 125 1HG ARG 125 -20.207 -12.386 -2.430 1079 HD2 ARG 125 2HD ARG 125 -22.124 -13.845 -2.048 1080 HD3 ARG 125 1HD ARG 125 -20.823 -14.766 -2.808 1081 HE ARG 125 HE ARG 125 -20.426 -15.211 -0.165 1082 HH11 ARG 125 1HH1 ARG 125 -23.271 -15.642 -2.218 1083 HH12 ARG 125 2HH1 ARG 125 -23.893 -16.950 -1.264 1084 HH21 ARG 125 1HH2 ARG 125 -21.274 -16.922 1.067 1085 HH22 ARG 125 2HH2 ARG 125 -22.765 -17.667 0.584 1086 H THR 126 H THR 126 -15.638 -11.180 -0.547 1087 HA THR 126 HA THR 126 -13.688 -12.935 -1.534 1088 HB THR 126 HB THR 126 -13.151 -10.514 0.247 1089 HG1 THR 126 HG1 THR 126 -13.796 -10.569 -2.538 1090 HG21 THR 126 3HG2 THR 126 -11.635 -11.657 -2.145 1091 HG22 THR 126 1HG2 THR 126 -11.165 -11.840 -0.451 1092 HG23 THR 126 2HG2 THR 126 -11.168 -10.245 -1.194 Start of MODEL 4 1 H1 SER 58 1H SER 58 -11.699 17.746 1.436 2 H2 SER 58 2H SER 58 -10.150 17.095 1.620 3 H3 SER 58 3H SER 58 -10.560 17.895 0.193 4 HA SER 58 HA SER 58 -9.155 19.248 1.573 5 HB2 SER 58 2HB SER 58 -10.841 20.310 0.069 6 HB3 SER 58 1HB SER 58 -12.015 20.314 1.386 7 HG SER 58 HG SER 58 -9.594 21.765 1.152 8 H HIS 59 H HIS 59 -12.383 19.246 3.143 9 HA HIS 59 HA HIS 59 -11.108 19.171 5.812 10 HB2 HIS 59 2HB HIS 59 -12.721 21.022 5.467 11 HB3 HIS 59 1HB HIS 59 -13.979 19.877 5.017 12 HD1 HIS 59 HD1 HIS 59 -15.222 18.674 6.930 13 HD2 HIS 59 HD2 HIS 59 -12.113 21.098 8.263 14 HE1 HIS 59 HE1 HIS 59 -15.456 18.765 9.421 15 HE2 HIS 59 HE2 HIS 59 -13.565 20.204 10.213 16 H MET 60 H MET 60 -11.928 17.638 7.393 17 HA MET 60 HA MET 60 -12.267 15.021 6.657 18 HB2 MET 60 2HB MET 60 -11.730 15.661 8.967 19 HB3 MET 60 1HB MET 60 -13.325 16.372 9.176 20 HG2 MET 60 2HG MET 60 -14.338 14.127 8.894 21 HG3 MET 60 1HG MET 60 -12.724 13.433 8.740 22 HE1 MET 60 3HE MET 60 -14.958 12.435 10.843 23 HE2 MET 60 1HE MET 60 -13.963 12.201 12.278 24 HE3 MET 60 2HE MET 60 -13.363 11.694 10.698 25 H ALA 61 H ALA 61 -13.710 14.406 5.196 26 HA ALA 61 HA ALA 61 -16.515 14.306 5.622 27 HB1 ALA 61 3HB ALA 61 -15.582 16.326 3.533 28 HB2 ALA 61 1HB ALA 61 -16.447 16.691 5.026 29 HB3 ALA 61 2HB ALA 61 -17.247 15.775 3.748 30 H MET 62 H MET 62 -15.805 12.182 5.262 31 HA MET 62 HA MET 62 -15.909 11.256 2.519 32 HB2 MET 62 2HB MET 62 -13.795 10.048 2.521 33 HB3 MET 62 1HB MET 62 -13.432 11.721 2.921 34 HG2 MET 62 2HG MET 62 -13.313 11.083 5.330 35 HG3 MET 62 1HG MET 62 -13.578 9.401 4.865 36 HE1 MET 62 3HE MET 62 -9.796 9.412 5.900 37 HE2 MET 62 1HE MET 62 -11.377 8.681 6.175 38 HE3 MET 62 2HE MET 62 -11.084 10.358 6.644 39 H LYS 63 H LYS 63 -15.600 8.705 2.658 40 HA LYS 63 HA LYS 63 -16.492 7.535 5.172 41 HB2 LYS 63 2HB LYS 63 -18.636 8.168 4.132 42 HB3 LYS 63 1HB LYS 63 -18.180 7.371 2.631 43 HG2 LYS 63 2HG LYS 63 -18.247 5.186 3.719 44 HG3 LYS 63 1HG LYS 63 -18.568 5.941 5.281 45 HD2 LYS 63 2HD LYS 63 -20.742 6.815 4.367 46 HD3 LYS 63 1HD LYS 63 -20.406 5.957 2.856 47 HE2 LYS 63 2HE LYS 63 -21.931 4.667 4.305 48 HE3 LYS 63 1HE LYS 63 -20.410 3.807 4.053 49 HZ1 LYS 63 3HZ LYS 63 -21.120 5.402 6.471 50 HZ2 LYS 63 1HZ LYS 63 -19.655 4.592 6.229 51 HZ3 LYS 63 2HZ LYS 63 -21.095 3.717 6.373 52 HA PRO 64 HA PRO 64 -13.722 4.485 3.074 53 HB2 PRO 64 2HB PRO 64 -13.239 3.703 5.928 54 HB3 PRO 64 1HB PRO 64 -12.062 4.091 4.658 55 HG2 PRO 64 2HG PRO 64 -12.488 5.766 6.710 56 HG3 PRO 64 1HG PRO 64 -12.139 6.376 5.076 57 HD2 PRO 64 2HD PRO 64 -14.799 6.156 6.479 58 HD3 PRO 64 1HD PRO 64 -14.149 7.488 5.492 59 HA PRO 65 HA PRO 65 -17.594 2.052 3.548 60 HB2 PRO 65 2HB PRO 65 -16.308 0.326 1.438 61 HB3 PRO 65 1HB PRO 65 -17.913 1.092 1.448 62 HG2 PRO 65 2HG PRO 65 -15.994 2.083 -0.087 63 HG3 PRO 65 1HG PRO 65 -17.065 3.187 0.815 64 HD2 PRO 65 2HD PRO 65 -14.253 2.303 1.512 65 HD3 PRO 65 1HD PRO 65 -14.956 3.940 1.530 66 H GLY 66 H GLY 66 -16.936 1.418 5.659 67 HA2 GLY 66 2HA GLY 66 -15.251 -0.835 6.203 68 HA3 GLY 66 1HA GLY 66 -16.318 -0.015 7.335 69 H ALA 67 H ALA 67 -16.197 -2.413 4.778 70 HA ALA 67 HA ALA 67 -18.845 -3.368 4.944 71 HB1 ALA 67 3HB ALA 67 -17.364 -3.775 3.031 72 HB2 ALA 67 1HB ALA 67 -18.001 -5.285 3.679 73 HB3 ALA 67 2HB ALA 67 -16.341 -4.804 4.034 74 H GLN 68 H GLN 68 -19.798 -4.881 6.234 75 HA GLN 68 HA GLN 68 -18.637 -5.164 8.833 76 HB2 GLN 68 2HB GLN 68 -21.023 -4.598 8.501 77 HB3 GLN 68 1HB GLN 68 -21.301 -6.161 7.748 78 HG2 GLN 68 2HG GLN 68 -22.131 -6.095 10.057 79 HG3 GLN 68 1HG GLN 68 -20.869 -7.302 9.858 80 HE21 GLN 68 1HE2 GLN 68 -21.597 -4.132 11.210 81 HE22 GLN 68 2HE2 GLN 68 -20.293 -4.109 12.343 82 H GLY 69 H GLY 69 -19.378 -7.504 6.208 83 HA2 GLY 69 2HA GLY 69 -17.904 -9.589 7.693 84 HA3 GLY 69 1HA GLY 69 -19.556 -9.916 7.209 85 H SER 70 H SER 70 -19.811 -9.184 4.684 86 HA SER 70 HA SER 70 -18.596 -11.314 3.296 87 HB2 SER 70 2HB SER 70 -20.836 -10.502 2.750 88 HB3 SER 70 1HB SER 70 -20.188 -8.940 2.265 89 HG SER 70 HG SER 70 -19.318 -11.306 1.021 90 H GLN 71 H GLN 71 -18.361 -7.839 2.445 91 HA GLN 71 HA GLN 71 -16.004 -8.278 0.810 92 HB2 GLN 71 2HB GLN 71 -17.884 -6.793 0.123 93 HB3 GLN 71 1HB GLN 71 -17.529 -5.719 1.466 94 HG2 GLN 71 2HG GLN 71 -15.392 -5.111 0.479 95 HG3 GLN 71 1HG GLN 71 -15.602 -6.298 -0.810 96 HE21 GLN 71 1HE2 GLN 71 -16.766 -3.231 0.472 97 HE22 GLN 71 2HE2 GLN 71 -17.522 -2.713 -0.990 98 H SER 72 H SER 72 -16.388 -7.921 4.073 99 HA SER 72 HA SER 72 -14.668 -6.084 5.090 100 HB2 SER 72 2HB SER 72 -16.065 -7.565 6.466 101 HB3 SER 72 1HB SER 72 -15.048 -8.949 6.053 102 HG SER 72 HG SER 72 -13.570 -8.280 7.424 103 H THR 73 H THR 73 -13.737 -9.324 3.934 104 HA THR 73 HA THR 73 -11.033 -9.397 4.381 105 HB THR 73 HB THR 73 -12.474 -10.414 1.891 106 HG1 THR 73 HG1 THR 73 -13.266 -11.934 3.120 107 HG21 THR 73 3HG2 THR 73 -9.998 -10.575 1.672 108 HG22 THR 73 1HG2 THR 73 -10.750 -12.168 1.793 109 HG23 THR 73 2HG2 THR 73 -9.931 -11.472 3.189 110 H TYR 74 H TYR 74 -12.664 -7.861 1.593 111 HA TYR 74 HA TYR 74 -10.210 -6.913 0.376 112 HB2 TYR 74 2HB TYR 74 -12.178 -7.544 -0.986 113 HB3 TYR 74 1HB TYR 74 -13.124 -6.262 -0.230 114 HD1 TYR 74 HD1 TYR 74 -9.635 -6.277 -1.614 115 HD2 TYR 74 HD2 TYR 74 -13.575 -4.677 -1.919 116 HE1 TYR 74 HE1 TYR 74 -8.876 -4.709 -3.320 117 HE2 TYR 74 HE2 TYR 74 -12.806 -3.102 -3.637 118 HH TYR 74 HH TYR 74 -10.033 -3.372 -5.264 119 H THR 75 H THR 75 -12.628 -5.640 2.544 120 HA THR 75 HA THR 75 -11.946 -2.877 2.418 121 HB THR 75 HB THR 75 -13.355 -4.433 4.632 122 HG1 THR 75 HG1 THR 75 -14.187 -4.231 2.289 123 HG21 THR 75 3HG2 THR 75 -14.338 -2.262 5.273 124 HG22 THR 75 1HG2 THR 75 -13.352 -1.444 4.060 125 HG23 THR 75 2HG2 THR 75 -12.584 -2.224 5.443 126 H ASP 76 H ASP 76 -10.687 -5.623 4.230 127 HA ASP 76 HA ASP 76 -8.994 -4.395 6.055 128 HB2 ASP 76 2HB ASP 76 -8.629 -6.929 4.416 129 HB3 ASP 76 1HB ASP 76 -7.380 -6.396 5.530 130 H LEU 77 H LEU 77 -8.520 -4.974 2.575 131 HA LEU 77 HA LEU 77 -5.866 -4.154 2.291 132 HB2 LEU 77 2HB LEU 77 -7.086 -5.330 0.530 133 HB3 LEU 77 1HB LEU 77 -8.175 -3.965 0.322 134 HG LEU 77 HG LEU 77 -6.353 -2.597 -0.594 135 HD11 LEU 77 1HD1 LEU 77 -4.547 -4.992 -0.195 136 HD12 LEU 77 2HD1 LEU 77 -4.459 -3.452 0.665 137 HD13 LEU 77 3HD1 LEU 77 -4.134 -3.511 -1.064 138 HD21 LEU 77 3HD2 LEU 77 -6.562 -5.308 -1.932 139 HD22 LEU 77 1HD2 LEU 77 -5.950 -3.836 -2.690 140 HD23 LEU 77 2HD2 LEU 77 -7.627 -3.920 -2.168 141 H LEU 78 H LEU 78 -8.853 -2.222 1.957 142 HA LEU 78 HA LEU 78 -7.843 0.298 1.352 143 HB2 LEU 78 2HB LEU 78 -10.264 -0.310 1.400 144 HB3 LEU 78 1HB LEU 78 -10.199 -0.400 3.151 145 HG LEU 78 HG LEU 78 -9.596 2.079 3.155 146 HD11 LEU 78 1HD1 LEU 78 -10.160 3.399 1.158 147 HD12 LEU 78 2HD1 LEU 78 -10.398 1.909 0.240 148 HD13 LEU 78 3HD1 LEU 78 -8.801 2.312 0.878 149 HD21 LEU 78 3HD2 LEU 78 -11.908 2.825 2.872 150 HD22 LEU 78 1HD2 LEU 78 -11.844 1.280 3.721 151 HD23 LEU 78 2HD2 LEU 78 -12.303 1.334 2.021 152 H SER 79 H SER 79 -8.290 -1.256 4.494 153 HA SER 79 HA SER 79 -7.402 0.917 6.108 154 HB2 SER 79 2HB SER 79 -7.671 -2.040 6.773 155 HB3 SER 79 1HB SER 79 -7.501 -0.726 7.945 156 HG SER 79 HG SER 79 -9.690 -1.502 6.450 157 H VAL 80 H VAL 80 -5.756 -1.947 4.753 158 HA VAL 80 HA VAL 80 -3.385 -1.829 6.316 159 HB VAL 80 HB VAL 80 -3.889 -3.091 3.569 160 HG11 VAL 80 1HG1 VAL 80 -1.439 -3.463 5.351 161 HG12 VAL 80 2HG1 VAL 80 -1.469 -2.653 3.784 162 HG13 VAL 80 3HG1 VAL 80 -1.798 -4.381 3.887 163 HG21 VAL 80 3HG2 VAL 80 -3.974 -5.209 4.804 164 HG22 VAL 80 1HG2 VAL 80 -5.173 -4.082 5.431 165 HG23 VAL 80 2HG2 VAL 80 -3.681 -4.365 6.327 166 H ILE 81 H ILE 81 -4.289 -0.454 3.171 167 HA ILE 81 HA ILE 81 -1.936 0.798 2.434 168 HB ILE 81 HB ILE 81 -4.731 1.976 2.127 169 HG12 ILE 81 2HG1 ILE 81 -4.767 -0.237 1.166 170 HG13 ILE 81 1HG1 ILE 81 -4.698 0.909 -0.157 171 HG21 ILE 81 1HG2 ILE 81 -3.780 3.143 0.165 172 HG22 ILE 81 2HG2 ILE 81 -2.185 2.508 0.567 173 HG23 ILE 81 3HG2 ILE 81 -2.995 3.620 1.671 174 HD11 ILE 81 3HD1 ILE 81 -3.310 -0.997 -0.614 175 HD12 ILE 81 1HD1 ILE 81 -2.418 -0.771 0.890 176 HD13 ILE 81 2HD1 ILE 81 -2.288 0.423 -0.405 177 H GLU 82 H GLU 82 -4.543 2.059 4.493 178 HA GLU 82 HA GLU 82 -3.442 4.604 5.012 179 HB2 GLU 82 2HB GLU 82 -5.857 3.902 5.254 180 HB3 GLU 82 1HB GLU 82 -5.427 3.011 6.701 181 HG2 GLU 82 2HG GLU 82 -5.061 6.004 6.424 182 HG3 GLU 82 1HG GLU 82 -6.535 5.269 7.040 183 H GLU 83 H GLU 83 -3.213 1.505 6.738 184 HA GLU 83 HA GLU 83 -1.941 2.462 9.084 185 HB2 GLU 83 2HB GLU 83 -1.933 -0.312 7.862 186 HB3 GLU 83 1HB GLU 83 -1.330 0.061 9.475 187 HG2 GLU 83 2HG GLU 83 -3.564 0.768 10.184 188 HG3 GLU 83 1HG GLU 83 -4.195 0.480 8.564 189 H MET 84 H MET 84 -0.621 1.178 6.032 190 HA MET 84 HA MET 84 2.113 1.335 6.729 191 HB2 MET 84 2HB MET 84 0.713 1.525 4.032 192 HB3 MET 84 1HB MET 84 2.464 1.481 4.211 193 HG2 MET 84 2HG MET 84 2.271 -0.717 5.338 194 HG3 MET 84 1HG MET 84 0.531 -0.683 5.054 195 HE1 MET 84 3HE MET 84 0.393 -0.877 1.108 196 HE2 MET 84 1HE MET 84 0.330 0.584 2.093 197 HE3 MET 84 2HE MET 84 -0.575 -0.853 2.579 198 H GLY 85 H GLY 85 -0.192 3.692 5.493 199 HA2 GLY 85 2HA GLY 85 1.511 5.868 4.985 200 HA3 GLY 85 1HA GLY 85 -0.195 5.970 5.377 201 H LYS 86 H LYS 86 0.447 4.554 7.992 202 HA LYS 86 HA LYS 86 0.954 6.882 9.646 203 HB2 LYS 86 2HB LYS 86 0.627 3.923 10.325 204 HB3 LYS 86 1HB LYS 86 0.749 5.210 11.521 205 HG2 LYS 86 2HG LYS 86 -1.385 6.106 10.923 206 HG3 LYS 86 1HG LYS 86 -1.458 5.127 9.453 207 HD2 LYS 86 2HD LYS 86 -2.928 4.258 11.278 208 HD3 LYS 86 1HD LYS 86 -1.733 3.086 10.735 209 HE2 LYS 86 2HE LYS 86 -1.213 4.803 13.167 210 HE3 LYS 86 1HE LYS 86 -2.180 3.335 13.282 211 HZ1 LYS 86 3HZ LYS 86 0.032 2.763 13.827 212 HZ2 LYS 86 1HZ LYS 86 0.676 3.535 12.467 213 HZ3 LYS 86 2HZ LYS 86 -0.242 2.133 12.283 214 H GLU 87 H GLU 87 2.562 3.850 8.778 215 HA GLU 87 HA GLU 87 4.744 4.227 10.613 216 HB2 GLU 87 2HB GLU 87 3.849 2.074 8.723 217 HB3 GLU 87 1HB GLU 87 5.553 2.078 9.178 218 HG2 GLU 87 2HG GLU 87 4.099 0.581 10.569 219 HG3 GLU 87 1HG GLU 87 5.029 1.752 11.492 220 H ILE 88 H ILE 88 4.196 5.542 7.565 221 HA ILE 88 HA ILE 88 6.741 5.467 6.341 222 HB ILE 88 HB ILE 88 4.608 7.657 6.249 223 HG12 ILE 88 2HG1 ILE 88 5.189 5.372 4.309 224 HG13 ILE 88 1HG1 ILE 88 3.843 5.441 5.441 225 HG21 ILE 88 1HG2 ILE 88 5.668 8.454 4.160 226 HG22 ILE 88 2HG2 ILE 88 6.990 7.310 4.387 227 HG23 ILE 88 3HG2 ILE 88 6.753 8.621 5.542 228 HD11 ILE 88 3HD1 ILE 88 4.294 7.240 3.076 229 HD12 ILE 88 1HD1 ILE 88 2.994 7.427 4.261 230 HD13 ILE 88 2HD1 ILE 88 3.078 5.982 3.264 231 H ARG 89 H ARG 89 5.371 7.672 8.769 232 HA ARG 89 HA ARG 89 7.493 9.545 8.792 233 HB2 ARG 89 2HB ARG 89 5.149 9.990 9.563 234 HB3 ARG 89 1HB ARG 89 5.461 9.030 11.003 235 HG2 ARG 89 2HG ARG 89 7.206 10.653 11.689 236 HG3 ARG 89 1HG ARG 89 6.881 11.596 10.233 237 HD2 ARG 89 2HD ARG 89 4.511 11.884 11.015 238 HD3 ARG 89 1HD ARG 89 4.956 11.075 12.521 239 HE ARG 89 HE ARG 89 6.593 13.371 11.874 240 HH11 ARG 89 1HH1 ARG 89 3.627 12.350 13.483 241 HH12 ARG 89 2HH1 ARG 89 3.543 13.759 14.489 242 HH21 ARG 89 1HH2 ARG 89 6.465 15.226 13.157 243 HH22 ARG 89 2HH2 ARG 89 5.174 15.410 14.304 244 HA PRO 90 HA PRO 90 9.385 7.262 12.615 245 HB2 PRO 90 2HB PRO 90 8.552 4.691 13.214 246 HB3 PRO 90 1HB PRO 90 7.915 6.154 13.985 247 HG2 PRO 90 2HG PRO 90 6.720 4.523 11.781 248 HG3 PRO 90 1HG PRO 90 5.926 5.314 13.159 249 HD2 PRO 90 2HD PRO 90 5.913 6.365 10.641 250 HD3 PRO 90 1HD PRO 90 5.843 7.361 12.109 251 H THR 91 H THR 91 8.501 5.225 9.780 252 HA THR 91 HA THR 91 10.931 3.786 9.538 253 HB THR 91 HB THR 91 9.041 4.799 7.361 254 HG1 THR 91 HG1 THR 91 7.938 3.092 7.893 255 HG21 THR 91 3HG2 THR 91 10.066 3.116 5.847 256 HG22 THR 91 1HG2 THR 91 11.292 2.761 7.066 257 HG23 THR 91 2HG2 THR 91 11.234 4.354 6.306 258 H TYR 92 H TYR 92 9.957 6.935 8.255 259 HA TYR 92 HA TYR 92 12.362 7.739 7.058 260 HB2 TYR 92 2HB TYR 92 10.182 8.831 6.627 261 HB3 TYR 92 1HB TYR 92 10.130 9.429 8.281 262 HD1 TYR 92 HD2 TYR 92 12.167 9.642 5.128 263 HD2 TYR 92 HD1 TYR 92 11.038 11.569 8.768 264 HE1 TYR 92 HE2 TYR 92 13.362 11.654 4.433 265 HE2 TYR 92 HE1 TYR 92 12.234 13.595 8.069 266 HH TYR 92 HH TYR 92 14.013 14.243 6.574 267 H ALA 93 H ALA 93 11.376 7.674 10.411 268 HA ALA 93 HA ALA 93 13.504 9.439 11.341 269 HB1 ALA 93 3HB ALA 93 11.282 9.536 12.371 270 HB2 ALA 93 1HB ALA 93 12.501 9.064 13.554 271 HB3 ALA 93 2HB ALA 93 11.415 7.849 12.869 272 H GLY 94 H GLY 94 13.497 6.293 10.342 273 HA2 GLY 94 2HA GLY 94 15.274 4.815 10.411 274 HA3 GLY 94 1HA GLY 94 15.966 5.712 11.748 275 H SER 95 H SER 95 12.741 4.979 12.487 276 HA SER 95 HA SER 95 13.372 2.823 14.258 277 HB2 SER 95 2HB SER 95 10.621 3.753 13.306 278 HB3 SER 95 1HB SER 95 10.944 2.717 14.703 279 HG SER 95 HG SER 95 12.436 4.901 14.931 280 H LYS 96 H LYS 96 14.194 1.054 13.207 281 HA LYS 96 HA LYS 96 13.323 -0.043 10.783 282 HB2 LYS 96 2HB LYS 96 14.690 -1.985 11.296 283 HB3 LYS 96 1HB LYS 96 15.528 -0.518 11.782 284 HG2 LYS 96 2HG LYS 96 14.923 -0.933 14.132 285 HG3 LYS 96 1HG LYS 96 14.068 -2.400 13.663 286 HD2 LYS 96 2HD LYS 96 17.060 -1.876 13.481 287 HD3 LYS 96 1HD LYS 96 16.241 -3.020 14.544 288 HE2 LYS 96 2HE LYS 96 16.458 -3.200 11.523 289 HE3 LYS 96 1HE LYS 96 17.293 -4.211 12.697 290 HZ1 LYS 96 3HZ LYS 96 15.357 -5.302 11.707 291 HZ2 LYS 96 1HZ LYS 96 14.341 -4.115 12.350 292 HZ3 LYS 96 2HZ LYS 96 15.200 -5.144 13.379 293 H SER 97 H SER 97 11.927 -0.430 13.958 294 HA SER 97 HA SER 97 10.375 -2.748 13.543 295 HB2 SER 97 2HB SER 97 9.674 -0.287 15.200 296 HB3 SER 97 1HB SER 97 8.917 -1.877 15.349 297 HG SER 97 HG SER 97 11.627 -2.022 15.513 298 H ALA 98 H ALA 98 9.675 0.691 12.946 299 HA ALA 98 HA ALA 98 7.100 0.426 11.804 300 HB1 ALA 98 3HB ALA 98 9.168 2.611 11.409 301 HB2 ALA 98 1HB ALA 98 7.953 2.545 12.684 302 HB3 ALA 98 2HB ALA 98 7.450 2.725 11.003 303 H MET 99 H MET 99 10.346 0.720 10.364 304 HA MET 99 HA MET 99 9.746 0.605 7.664 305 HB2 MET 99 2HB MET 99 11.997 1.109 8.569 306 HB3 MET 99 1HB MET 99 12.160 -0.553 9.121 307 HG2 MET 99 2HG MET 99 11.996 -1.287 6.725 308 HG3 MET 99 1HG MET 99 12.036 0.412 6.257 309 HE1 MET 99 3HE MET 99 14.037 -1.395 9.176 310 HE2 MET 99 1HE MET 99 15.513 -1.827 8.313 311 HE3 MET 99 2HE MET 99 13.982 -2.580 7.868 312 H GLU 100 H GLU 100 10.161 -1.985 10.012 313 HA GLU 100 HA GLU 100 10.099 -4.151 8.174 314 HB2 GLU 100 2HB GLU 100 11.124 -4.239 10.469 315 HB3 GLU 100 1HB GLU 100 9.509 -4.185 11.167 316 HG2 GLU 100 2HG GLU 100 10.455 -6.464 11.122 317 HG3 GLU 100 1HG GLU 100 8.962 -6.339 10.200 318 H ARG 101 H ARG 101 7.634 -2.518 10.137 319 HA ARG 101 HA ARG 101 5.504 -4.365 9.412 320 HB2 ARG 101 2HB ARG 101 5.480 -2.924 11.521 321 HB3 ARG 101 1HB ARG 101 5.115 -1.534 10.499 322 HG2 ARG 101 2HG ARG 101 3.070 -2.787 9.674 323 HG3 ARG 101 1HG ARG 101 3.425 -4.032 10.865 324 HD2 ARG 101 2HD ARG 101 3.181 -2.296 12.665 325 HD3 ARG 101 1HD ARG 101 2.681 -1.141 11.423 326 HE ARG 101 HE ARG 101 1.229 -3.649 12.039 327 HH11 ARG 101 1HH1 ARG 101 1.133 -0.245 11.166 328 HH12 ARG 101 2HH1 ARG 101 -0.601 -0.190 11.111 329 HH21 ARG 101 1HH2 ARG 101 -1.046 -3.580 11.921 330 HH22 ARG 101 2HH2 ARG 101 -1.836 -2.084 11.533 331 H LEU 102 H LEU 102 6.894 -1.496 8.066 332 HA LEU 102 HA LEU 102 4.846 -0.845 6.191 333 HB2 LEU 102 2HB LEU 102 6.628 0.732 6.990 334 HB3 LEU 102 1HB LEU 102 7.830 -0.216 6.128 335 HG LEU 102 HG LEU 102 6.833 0.429 3.971 336 HD11 LEU 102 1HD1 LEU 102 4.821 2.048 5.558 337 HD12 LEU 102 2HD1 LEU 102 4.484 0.615 4.583 338 HD13 LEU 102 3HD1 LEU 102 5.041 2.092 3.805 339 HD21 LEU 102 3HD2 LEU 102 7.340 2.835 5.759 340 HD22 LEU 102 1HD2 LEU 102 7.427 2.810 3.994 341 HD23 LEU 102 2HD2 LEU 102 8.572 1.868 4.942 342 H LYS 103 H LYS 103 7.943 -2.644 5.941 343 HA LYS 103 HA LYS 103 7.765 -3.719 3.384 344 HB2 LYS 103 2HB LYS 103 8.887 -4.963 5.933 345 HB3 LYS 103 1HB LYS 103 9.172 -5.611 4.318 346 HG2 LYS 103 2HG LYS 103 10.521 -3.758 3.683 347 HG3 LYS 103 1HG LYS 103 9.949 -2.777 5.036 348 HD2 LYS 103 2HD LYS 103 12.256 -3.553 5.439 349 HD3 LYS 103 1HD LYS 103 11.148 -4.236 6.627 350 HE2 LYS 103 2HE LYS 103 11.100 -6.353 5.294 351 HE3 LYS 103 1HE LYS 103 12.304 -5.655 4.207 352 HZ1 LYS 103 3HZ LYS 103 12.678 -6.161 7.121 353 HZ2 LYS 103 1HZ LYS 103 13.828 -5.467 6.087 354 HZ3 LYS 103 2HZ LYS 103 13.339 -7.068 5.860 355 H ARG 104 H ARG 104 6.623 -5.127 6.424 356 HA ARG 104 HA ARG 104 5.340 -7.425 5.367 357 HB2 ARG 104 2HB ARG 104 5.110 -5.957 8.026 358 HB3 ARG 104 1HB ARG 104 4.269 -7.468 7.709 359 HG2 ARG 104 2HG ARG 104 6.385 -8.653 7.436 360 HG3 ARG 104 1HG ARG 104 7.285 -7.142 7.566 361 HD2 ARG 104 2HD ARG 104 6.493 -6.885 9.912 362 HD3 ARG 104 1HD ARG 104 5.636 -8.430 9.775 363 HE ARG 104 HE ARG 104 8.390 -8.714 9.103 364 HH11 ARG 104 1HH1 ARG 104 6.301 -8.337 11.927 365 HH12 ARG 104 2HH1 ARG 104 7.404 -9.157 12.992 366 HH21 ARG 104 1HH2 ARG 104 9.809 -9.801 10.507 367 HH22 ARG 104 2HH2 ARG 104 9.400 -9.984 12.184 368 H GLY 105 H GLY 105 4.363 -4.121 5.704 369 HA2 GLY 105 2HA GLY 105 1.517 -4.491 5.542 370 HA3 GLY 105 1HA GLY 105 2.403 -2.985 5.306 371 H ILE 106 H ILE 106 4.126 -3.722 3.233 372 HA ILE 106 HA ILE 106 2.507 -3.635 0.910 373 HB ILE 106 HB ILE 106 5.477 -3.924 1.396 374 HG12 ILE 106 2HG1 ILE 106 5.555 -2.013 -0.279 375 HG13 ILE 106 1HG1 ILE 106 3.804 -2.050 -0.349 376 HG21 ILE 106 1HG2 ILE 106 5.969 -4.240 -1.019 377 HG22 ILE 106 2HG2 ILE 106 4.256 -4.519 -1.327 378 HG23 ILE 106 3HG2 ILE 106 5.163 -5.646 -0.316 379 HD11 ILE 106 3HD1 ILE 106 4.599 -0.250 1.023 380 HD12 ILE 106 1HD1 ILE 106 5.495 -1.373 2.044 381 HD13 ILE 106 2HD1 ILE 106 3.732 -1.417 2.020 382 H ILE 107 H ILE 107 4.281 -6.314 2.474 383 HA ILE 107 HA ILE 107 3.647 -8.371 0.641 384 HB ILE 107 HB ILE 107 4.191 -8.568 3.639 385 HG12 ILE 107 2HG1 ILE 107 6.128 -8.955 1.304 386 HG13 ILE 107 1HG1 ILE 107 6.027 -7.494 2.278 387 HG21 ILE 107 1HG2 ILE 107 4.296 -10.764 1.535 388 HG22 ILE 107 2HG2 ILE 107 3.111 -10.623 2.836 389 HG23 ILE 107 3HG2 ILE 107 4.805 -10.938 3.218 390 HD11 ILE 107 3HD1 ILE 107 6.815 -10.227 3.273 391 HD12 ILE 107 1HD1 ILE 107 6.700 -8.764 4.255 392 HD13 ILE 107 2HD1 ILE 107 7.889 -8.866 2.958 393 H HIS 108 H HIS 108 1.866 -6.991 3.335 394 HA HIS 108 HA HIS 108 -0.212 -8.982 3.466 395 HB2 HIS 108 2HB HIS 108 0.525 -7.565 5.408 396 HB3 HIS 108 1HB HIS 108 -0.144 -6.149 4.608 397 HD1 HIS 108 HD1 HIS 108 -1.506 -6.026 6.928 398 HD2 HIS 108 HD2 HIS 108 -2.534 -9.149 4.386 399 HE1 HIS 108 HE1 HIS 108 -3.722 -6.870 7.751 400 HE2 HIS 108 HE2 HIS 108 -4.208 -8.869 6.326 401 H ALA 109 H ALA 109 0.127 -5.730 2.081 402 HA ALA 109 HA ALA 109 -2.575 -5.411 1.257 403 HB1 ALA 109 3HB ALA 109 -0.085 -3.967 0.291 404 HB2 ALA 109 1HB ALA 109 -1.097 -3.503 1.661 405 HB3 ALA 109 2HB ALA 109 -1.753 -3.449 0.026 406 H ARG 110 H ARG 110 0.373 -6.473 -0.409 407 HA ARG 110 HA ARG 110 -0.710 -6.672 -3.047 408 HB2 ARG 110 2HB ARG 110 1.725 -6.454 -2.546 409 HB3 ARG 110 1HB ARG 110 1.718 -8.049 -1.805 410 HG2 ARG 110 2HG ARG 110 1.101 -9.027 -4.025 411 HG3 ARG 110 1HG ARG 110 1.239 -7.419 -4.739 412 HD2 ARG 110 2HD ARG 110 3.610 -7.331 -4.134 413 HD3 ARG 110 1HD ARG 110 3.484 -8.901 -3.333 414 HE ARG 110 HE ARG 110 2.655 -9.080 -6.042 415 HH11 ARG 110 1HH1 ARG 110 5.592 -8.784 -4.152 416 HH12 ARG 110 2HH1 ARG 110 6.585 -9.572 -5.329 417 HH21 ARG 110 1HH2 ARG 110 3.934 -10.185 -7.559 418 HH22 ARG 110 2HH2 ARG 110 5.635 -10.374 -7.277 419 H ALA 111 H ALA 111 -0.616 -8.791 -0.255 420 HA ALA 111 HA ALA 111 -1.417 -11.232 -1.502 421 HB1 ALA 111 3HB ALA 111 -1.819 -10.319 1.372 422 HB2 ALA 111 1HB ALA 111 -0.416 -11.187 0.750 423 HB3 ALA 111 2HB ALA 111 -1.993 -11.975 0.776 424 H LEU 112 H LEU 112 -3.118 -8.549 0.046 425 HA LEU 112 HA LEU 112 -5.746 -9.651 -0.256 426 HB2 LEU 112 2HB LEU 112 -4.817 -6.834 0.400 427 HB3 LEU 112 1HB LEU 112 -6.490 -7.370 0.486 428 HG LEU 112 HG LEU 112 -4.217 -8.506 2.165 429 HD11 LEU 112 1HD1 LEU 112 -5.227 -7.336 4.069 430 HD12 LEU 112 2HD1 LEU 112 -6.428 -6.606 2.999 431 HD13 LEU 112 3HD1 LEU 112 -4.721 -6.204 2.814 432 HD21 LEU 112 3HD2 LEU 112 -5.950 -10.180 1.746 433 HD22 LEU 112 1HD2 LEU 112 -7.200 -9.065 2.309 434 HD23 LEU 112 2HD2 LEU 112 -5.977 -9.671 3.430 435 H VAL 113 H VAL 113 -3.677 -7.684 -2.300 436 HA VAL 113 HA VAL 113 -5.771 -6.926 -4.127 437 HB VAL 113 HB VAL 113 -2.756 -6.957 -4.638 438 HG11 VAL 113 1HG1 VAL 113 -3.286 -5.373 -6.489 439 HG12 VAL 113 2HG1 VAL 113 -5.007 -5.627 -6.201 440 HG13 VAL 113 3HG1 VAL 113 -3.995 -6.968 -6.742 441 HG21 VAL 113 3HG2 VAL 113 -2.816 -4.528 -4.206 442 HG22 VAL 113 1HG2 VAL 113 -3.333 -5.436 -2.788 443 HG23 VAL 113 2HG2 VAL 113 -4.531 -4.632 -3.797 444 H ARG 114 H ARG 114 -3.309 -9.529 -4.007 445 HA ARG 114 HA ARG 114 -3.908 -10.535 -6.624 446 HB2 ARG 114 2HB ARG 114 -2.372 -12.324 -6.188 447 HB3 ARG 114 1HB ARG 114 -1.695 -10.872 -5.464 448 HG2 ARG 114 2HG ARG 114 -2.369 -11.616 -3.244 449 HG3 ARG 114 1HG ARG 114 -3.171 -13.030 -3.930 450 HD2 ARG 114 2HD ARG 114 -1.032 -13.686 -3.006 451 HD3 ARG 114 1HD ARG 114 -0.978 -13.844 -4.761 452 HE ARG 114 HE ARG 114 0.318 -11.708 -3.170 453 HH11 ARG 114 1HH1 ARG 114 0.155 -13.566 -6.164 454 HH12 ARG 114 2HH1 ARG 114 1.628 -12.894 -6.784 455 HH21 ARG 114 1HH2 ARG 114 2.263 -10.896 -3.994 456 HH22 ARG 114 2HH2 ARG 114 2.810 -11.396 -5.564 457 H GLU 115 H GLU 115 -5.106 -11.328 -3.376 458 HA GLU 115 HA GLU 115 -6.579 -13.666 -4.177 459 HB2 GLU 115 2HB GLU 115 -6.925 -11.870 -1.740 460 HB3 GLU 115 1HB GLU 115 -7.768 -13.394 -1.985 461 HG2 GLU 115 2HG GLU 115 -4.785 -13.025 -1.660 462 HG3 GLU 115 1HG GLU 115 -5.889 -13.680 -0.457 463 H CYS 116 H CYS 116 -7.257 -10.220 -3.843 464 HA CYS 116 HA CYS 116 -10.039 -10.309 -4.392 465 HB2 CYS 116 2HB CYS 116 -8.990 -8.374 -3.308 466 HB3 CYS 116 1HB CYS 116 -8.050 -8.037 -4.759 467 HG CYS 116 HG CYS 116 -10.089 -7.111 -6.257 468 H LEU 117 H LEU 117 -7.172 -10.009 -6.437 469 HA LEU 117 HA LEU 117 -8.343 -9.236 -8.857 470 HB2 LEU 117 2HB LEU 117 -5.786 -10.636 -8.089 471 HB3 LEU 117 1HB LEU 117 -6.225 -10.650 -9.787 472 HG LEU 117 HG LEU 117 -5.910 -8.083 -8.171 473 HD11 LEU 117 1HD1 LEU 117 -3.723 -7.804 -9.224 474 HD12 LEU 117 2HD1 LEU 117 -3.880 -9.363 -10.037 475 HD13 LEU 117 3HD1 LEU 117 -3.760 -9.291 -8.279 476 HD21 LEU 117 3HD2 LEU 117 -6.099 -8.563 -11.168 477 HD22 LEU 117 1HD2 LEU 117 -5.840 -7.002 -10.385 478 HD23 LEU 117 2HD2 LEU 117 -7.354 -7.867 -10.140 479 H ALA 118 H ALA 118 -8.067 -12.411 -7.389 480 HA ALA 118 HA ALA 118 -8.764 -14.079 -9.495 481 HB1 ALA 118 3HB ALA 118 -7.953 -14.892 -7.336 482 HB2 ALA 118 1HB ALA 118 -9.458 -15.699 -7.781 483 HB3 ALA 118 2HB ALA 118 -9.466 -14.416 -6.567 484 H GLU 119 H GLU 119 -10.993 -12.443 -7.183 485 HA GLU 119 HA GLU 119 -13.326 -13.294 -8.690 486 HB2 GLU 119 2HB GLU 119 -14.635 -12.085 -7.006 487 HB3 GLU 119 1HB GLU 119 -13.465 -13.161 -6.254 488 HG2 GLU 119 2HG GLU 119 -11.977 -11.200 -5.844 489 HG3 GLU 119 1HG GLU 119 -13.221 -10.154 -6.517 490 H THR 120 H THR 120 -11.312 -10.413 -8.514 491 HA THR 120 HA THR 120 -13.320 -8.547 -9.436 492 HB THR 120 HB THR 120 -10.290 -8.172 -9.196 493 HG1 THR 120 HG1 THR 120 -11.864 -8.624 -7.277 494 HG21 THR 120 3HG2 THR 120 -12.500 -6.065 -9.381 495 HG22 THR 120 1HG2 THR 120 -11.305 -6.412 -10.636 496 HG23 THR 120 2HG2 THR 120 -10.788 -5.748 -9.086 497 H GLU 121 H GLU 121 -10.773 -10.451 -10.962 498 HA GLU 121 HA GLU 121 -10.846 -9.271 -13.530 499 HB2 GLU 121 2HB GLU 121 -9.853 -11.360 -14.354 500 HB3 GLU 121 1HB GLU 121 -9.086 -10.861 -12.854 501 HG2 GLU 121 2HG GLU 121 -10.349 -12.532 -11.603 502 HG3 GLU 121 1HG GLU 121 -11.222 -13.001 -13.056 503 H ARG 122 H ARG 122 -12.841 -11.770 -12.027 504 HA ARG 122 HA ARG 122 -14.395 -12.378 -14.400 505 HB2 ARG 122 2HB ARG 122 -14.759 -13.255 -11.498 506 HB3 ARG 122 1HB ARG 122 -15.620 -13.922 -12.885 507 HG2 ARG 122 2HG ARG 122 -13.442 -14.722 -13.822 508 HG3 ARG 122 1HG ARG 122 -12.631 -14.111 -12.376 509 HD2 ARG 122 2HD ARG 122 -13.022 -16.533 -12.223 510 HD3 ARG 122 1HD ARG 122 -13.919 -15.664 -10.978 511 HE ARG 122 HE ARG 122 -15.941 -16.076 -12.162 512 HH11 ARG 122 1HH1 ARG 122 -13.208 -17.833 -13.537 513 HH12 ARG 122 2HH1 ARG 122 -14.216 -18.951 -14.398 514 HH21 ARG 122 1HH2 ARG 122 -17.230 -17.520 -13.344 515 HH22 ARG 122 2HH2 ARG 122 -16.490 -18.774 -14.287 516 H ASN 123 H ASN 123 -14.638 -10.396 -11.552 517 HA ASN 123 HA ASN 123 -17.459 -9.663 -12.079 518 HB2 ASN 123 2HB ASN 123 -15.802 -9.662 -9.515 519 HB3 ASN 123 1HB ASN 123 -17.368 -8.864 -9.641 520 HD21 ASN 123 1HD2 ASN 123 -19.231 -10.109 -9.822 521 HD22 ASN 123 2HD2 ASN 123 -19.257 -11.802 -9.475 522 H ALA 124 H ALA 124 -14.982 -8.579 -13.357 523 HA ALA 124 HA ALA 124 -14.571 -5.884 -12.608 524 HB1 ALA 124 3HB ALA 124 -13.101 -7.104 -14.158 525 HB2 ALA 124 1HB ALA 124 -13.694 -5.615 -14.900 526 HB3 ALA 124 2HB ALA 124 -14.397 -7.170 -15.352 527 H ARG 125 H ARG 125 -16.964 -7.484 -14.590 528 HA ARG 125 HA ARG 125 -18.755 -5.142 -14.473 529 HB2 ARG 125 2HB ARG 125 -18.287 -6.929 -16.910 530 HB3 ARG 125 1HB ARG 125 -19.578 -5.741 -16.778 531 HG2 ARG 125 2HG ARG 125 -17.919 -3.925 -16.678 532 HG3 ARG 125 1HG ARG 125 -16.609 -5.103 -16.764 533 HD2 ARG 125 2HD ARG 125 -17.325 -5.780 -19.006 534 HD3 ARG 125 1HD ARG 125 -18.711 -4.685 -18.917 535 HE ARG 125 HE ARG 125 -16.376 -3.195 -18.493 536 HH11 ARG 125 1HH1 ARG 125 -17.901 -4.985 -21.121 537 HH12 ARG 125 2HH1 ARG 125 -17.202 -3.989 -22.360 538 HH21 ARG 125 1HH2 ARG 125 -15.529 -1.851 -20.116 539 HH22 ARG 125 2HH2 ARG 125 -15.848 -2.205 -21.783 540 H THR 126 H THR 126 -19.824 -6.137 -12.725 541 HA THR 126 HA THR 126 -20.947 -8.829 -13.069 542 HB THR 126 HB THR 126 -21.137 -7.037 -10.612 543 HG1 THR 126 HG1 THR 126 -18.943 -7.487 -11.186 544 HG21 THR 126 3HG2 THR 126 -21.486 -9.158 -9.397 545 HG22 THR 126 1HG2 THR 126 -21.396 -10.055 -10.916 546 HG23 THR 126 2HG2 THR 126 -22.731 -8.937 -10.626 547 H1 SER 58 1H SER 58 4.330 -22.768 2.093 548 H2 SER 58 2H SER 58 4.299 -23.976 3.276 549 H3 SER 58 3H SER 58 5.315 -24.131 1.933 550 HA SER 58 HA SER 58 5.519 -22.042 4.005 551 HB2 SER 58 2HB SER 58 7.614 -23.303 4.672 552 HB3 SER 58 1HB SER 58 6.121 -24.197 4.964 553 HG SER 58 HG SER 58 7.271 -25.664 3.926 554 H HIS 59 H HIS 59 7.369 -23.743 1.436 555 HA HIS 59 HA HIS 59 9.038 -21.486 0.850 556 HB2 HIS 59 2HB HIS 59 9.768 -23.840 0.510 557 HB3 HIS 59 1HB HIS 59 8.563 -24.035 -0.753 558 HD1 HIS 59 HD1 HIS 59 9.112 -23.041 -3.074 559 HD2 HIS 59 HD2 HIS 59 12.074 -22.353 -0.237 560 HE1 HIS 59 HE1 HIS 59 11.113 -22.254 -4.367 561 HE2 HIS 59 HE2 HIS 59 12.945 -22.074 -2.659 562 H MET 60 H MET 60 7.690 -19.785 0.409 563 HA MET 60 HA MET 60 5.510 -19.891 -1.468 564 HB2 MET 60 2HB MET 60 6.821 -17.503 -0.095 565 HB3 MET 60 1HB MET 60 5.326 -17.443 -1.015 566 HG2 MET 60 2HG MET 60 4.286 -18.976 0.640 567 HG3 MET 60 1HG MET 60 5.777 -18.931 1.579 568 HE1 MET 60 3HE MET 60 3.027 -16.723 3.541 569 HE2 MET 60 1HE MET 60 3.966 -18.212 3.620 570 HE3 MET 60 2HE MET 60 2.639 -18.064 2.465 571 H ALA 61 H ALA 61 6.097 -20.267 -3.532 572 HA ALA 61 HA ALA 61 7.728 -18.274 -4.948 573 HB1 ALA 61 3HB ALA 61 9.306 -20.074 -4.382 574 HB2 ALA 61 1HB ALA 61 9.020 -20.021 -6.124 575 HB3 ALA 61 2HB ALA 61 8.243 -21.261 -5.137 576 H MET 62 H MET 62 5.824 -17.535 -5.832 577 HA MET 62 HA MET 62 4.747 -19.078 -8.081 578 HB2 MET 62 2HB MET 62 2.438 -18.675 -7.517 579 HB3 MET 62 1HB MET 62 3.188 -19.389 -6.098 580 HG2 MET 62 2HG MET 62 2.573 -16.448 -6.468 581 HG3 MET 62 1HG MET 62 1.626 -17.591 -5.517 582 HE1 MET 62 3HE MET 62 3.072 -14.671 -4.537 583 HE2 MET 62 1HE MET 62 3.396 -15.173 -2.879 584 HE3 MET 62 2HE MET 62 1.863 -15.594 -3.643 585 H LYS 63 H LYS 63 3.859 -17.732 -9.736 586 HA LYS 63 HA LYS 63 3.865 -14.875 -9.524 587 HB2 LYS 63 2HB LYS 63 5.553 -14.359 -11.202 588 HB3 LYS 63 1HB LYS 63 6.303 -15.249 -9.897 589 HG2 LYS 63 2HG LYS 63 5.561 -16.430 -12.588 590 HG3 LYS 63 1HG LYS 63 7.165 -15.841 -12.156 591 HD2 LYS 63 2HD LYS 63 7.394 -17.568 -10.454 592 HD3 LYS 63 1HD LYS 63 5.729 -18.097 -10.714 593 HE2 LYS 63 2HE LYS 63 6.302 -18.803 -13.008 594 HE3 LYS 63 1HE LYS 63 7.966 -18.259 -12.771 595 HZ1 LYS 63 3HZ LYS 63 8.158 -19.891 -10.959 596 HZ2 LYS 63 1HZ LYS 63 7.819 -20.617 -12.449 597 HZ3 LYS 63 2HZ LYS 63 6.598 -20.446 -11.295 598 HA PRO 64 HA PRO 64 0.523 -16.288 -12.351 599 HB2 PRO 64 2HB PRO 64 -0.717 -13.769 -12.414 600 HB3 PRO 64 1HB PRO 64 -1.022 -15.010 -11.185 601 HG2 PRO 64 2HG PRO 64 0.777 -12.626 -11.043 602 HG3 PRO 64 1HG PRO 64 -0.324 -13.288 -9.812 603 HD2 PRO 64 2HD PRO 64 2.314 -13.734 -9.677 604 HD3 PRO 64 1HD PRO 64 1.148 -14.991 -9.214 605 HA PRO 65 HA PRO 65 3.035 -14.939 -15.928 606 HB2 PRO 65 2HB PRO 65 1.528 -16.296 -17.859 607 HB3 PRO 65 1HB PRO 65 2.820 -17.031 -16.893 608 HG2 PRO 65 2HG PRO 65 -0.141 -17.120 -16.450 609 HG3 PRO 65 1HG PRO 65 1.062 -18.425 -16.298 610 HD2 PRO 65 2HD PRO 65 0.107 -17.173 -14.120 611 HD3 PRO 65 1HD PRO 65 1.813 -17.667 -14.211 612 H GLY 66 H GLY 66 2.732 -12.806 -16.223 613 HA2 GLY 66 2HA GLY 66 1.873 -10.800 -16.935 614 HA3 GLY 66 1HA GLY 66 0.665 -11.683 -17.861 615 H ALA 67 H ALA 67 1.521 -10.861 -14.515 616 HA ALA 67 HA ALA 67 -0.855 -11.420 -13.217 617 HB1 ALA 67 3HB ALA 67 1.244 -10.919 -12.059 618 HB2 ALA 67 1HB ALA 67 -0.060 -9.895 -11.455 619 HB3 ALA 67 2HB ALA 67 1.147 -9.231 -12.564 620 H GLN 68 H GLN 68 -2.812 -10.710 -13.844 621 HA GLN 68 HA GLN 68 -3.573 -7.951 -13.874 622 HB2 GLN 68 2HB GLN 68 -2.528 -8.088 -16.114 623 HB3 GLN 68 1HB GLN 68 -3.549 -9.462 -16.523 624 HG2 GLN 68 2HG GLN 68 -5.546 -8.010 -16.388 625 HG3 GLN 68 1HG GLN 68 -4.517 -6.631 -16.000 626 HE21 GLN 68 1HE2 GLN 68 -5.520 -8.842 -18.509 627 HE22 GLN 68 2HE2 GLN 68 -4.837 -7.974 -19.838 628 H GLY 69 H GLY 69 -4.472 -11.149 -15.147 629 HA2 GLY 69 2HA GLY 69 -6.364 -12.434 -14.855 630 HA3 GLY 69 1HA GLY 69 -7.001 -11.227 -13.743 631 H SER 70 H SER 70 -7.645 -9.118 -14.828 632 HA SER 70 HA SER 70 -8.197 -8.994 -17.616 633 HB2 SER 70 2HB SER 70 -10.036 -10.559 -16.954 634 HB3 SER 70 1HB SER 70 -10.641 -9.364 -15.807 635 HG SER 70 HG SER 70 -10.646 -9.329 -18.625 636 H GLN 71 H GLN 71 -9.192 -7.867 -14.399 637 HA GLN 71 HA GLN 71 -9.769 -5.178 -15.278 638 HB2 GLN 71 2HB GLN 71 -11.060 -6.451 -13.493 639 HB3 GLN 71 1HB GLN 71 -9.677 -6.235 -12.431 640 HG2 GLN 71 2HG GLN 71 -11.283 -4.574 -11.854 641 HG3 GLN 71 1HG GLN 71 -9.967 -3.743 -12.672 642 HE21 GLN 71 1HE2 GLN 71 -12.657 -2.816 -12.276 643 HE22 GLN 71 2HE2 GLN 71 -13.350 -2.551 -13.828 644 H SER 72 H SER 72 -7.578 -4.783 -16.156 645 HA SER 72 HA SER 72 -5.229 -4.739 -14.596 646 HB2 SER 72 2HB SER 72 -5.273 -4.848 -17.070 647 HB3 SER 72 1HB SER 72 -5.829 -3.178 -17.129 648 HG SER 72 HG SER 72 -3.322 -4.124 -16.912 649 H THR 73 H THR 73 -7.561 -2.159 -15.320 650 HA THR 73 HA THR 73 -6.381 0.002 -14.077 651 HB THR 73 HB THR 73 -8.475 0.214 -15.284 652 HG1 THR 73 HG1 THR 73 -8.316 1.139 -12.641 653 HG21 THR 73 3HG2 THR 73 -9.590 -1.868 -14.644 654 HG22 THR 73 1HG2 THR 73 -10.633 -0.485 -14.309 655 HG23 THR 73 2HG2 THR 73 -9.777 -1.281 -12.989 656 H TYR 74 H TYR 74 -7.977 -2.767 -12.476 657 HA TYR 74 HA TYR 74 -7.474 -1.722 -9.808 658 HB2 TYR 74 2HB TYR 74 -9.420 -3.142 -10.061 659 HB3 TYR 74 1HB TYR 74 -8.459 -4.435 -10.781 660 HD1 TYR 74 HD1 TYR 74 -8.422 -2.357 -7.646 661 HD2 TYR 74 HD2 TYR 74 -8.007 -6.239 -9.354 662 HE1 TYR 74 HE1 TYR 74 -7.961 -3.281 -5.431 663 HE2 TYR 74 HE2 TYR 74 -7.541 -7.177 -7.120 664 HH TYR 74 HH TYR 74 -7.989 -5.388 -4.252 665 H THR 75 H THR 75 -5.892 -3.983 -12.064 666 HA THR 75 HA THR 75 -3.978 -5.043 -10.255 667 HB THR 75 HB THR 75 -3.551 -4.731 -13.256 668 HG1 THR 75 HG1 THR 75 -4.687 -7.079 -12.283 669 HG21 THR 75 3HG2 THR 75 -2.300 -6.850 -13.020 670 HG22 THR 75 1HG2 THR 75 -2.604 -6.852 -11.281 671 HG23 THR 75 2HG2 THR 75 -1.599 -5.593 -12.005 672 H ASP 76 H ASP 76 -4.181 -1.987 -11.871 673 HA ASP 76 HA ASP 76 -1.581 -0.999 -11.800 674 HB2 ASP 76 2HB ASP 76 -3.562 0.198 -12.759 675 HB3 ASP 76 1HB ASP 76 -4.164 0.494 -11.129 676 H LEU 77 H LEU 77 -4.005 -1.290 -9.248 677 HA LEU 77 HA LEU 77 -2.642 -0.121 -7.098 678 HB2 LEU 77 2HB LEU 77 -5.029 -0.644 -6.994 679 HB3 LEU 77 1HB LEU 77 -4.694 -2.364 -7.121 680 HG LEU 77 HG LEU 77 -3.647 -2.353 -4.883 681 HD11 LEU 77 1HD1 LEU 77 -3.742 -0.379 -3.432 682 HD12 LEU 77 2HD1 LEU 77 -4.332 0.593 -4.782 683 HD13 LEU 77 3HD1 LEU 77 -2.714 -0.112 -4.839 684 HD21 LEU 77 3HD2 LEU 77 -6.404 -1.085 -4.914 685 HD22 LEU 77 1HD2 LEU 77 -5.671 -1.912 -3.537 686 HD23 LEU 77 2HD2 LEU 77 -6.031 -2.809 -5.006 687 H LEU 78 H LEU 78 -2.615 -3.497 -8.289 688 HA LEU 78 HA LEU 78 -1.015 -4.729 -6.355 689 HB2 LEU 78 2HB LEU 78 -2.209 -5.855 -8.272 690 HB3 LEU 78 1HB LEU 78 -0.972 -5.248 -9.354 691 HG LEU 78 HG LEU 78 0.729 -6.609 -8.023 692 HD11 LEU 78 1HD1 LEU 78 -0.091 -8.475 -6.649 693 HD12 LEU 78 2HD1 LEU 78 -1.740 -7.860 -6.782 694 HD13 LEU 78 3HD1 LEU 78 -0.506 -6.912 -5.947 695 HD21 LEU 78 3HD2 LEU 78 -1.470 -8.163 -9.422 696 HD22 LEU 78 1HD2 LEU 78 0.177 -8.728 -9.131 697 HD23 LEU 78 2HD2 LEU 78 -0.106 -7.359 -10.202 698 H SER 79 H SER 79 -0.112 -2.843 -9.189 699 HA SER 79 HA SER 79 2.727 -3.075 -8.887 700 HB2 SER 79 2HB SER 79 1.112 -1.057 -10.498 701 HB3 SER 79 1HB SER 79 2.815 -1.469 -10.727 702 HG SER 79 HG SER 79 1.326 -3.711 -10.786 703 H VAL 80 H VAL 80 0.290 -0.719 -7.782 704 HA VAL 80 HA VAL 80 2.064 1.326 -6.926 705 HB VAL 80 HB VAL 80 -0.763 0.614 -6.007 706 HG11 VAL 80 1HG1 VAL 80 -0.873 2.862 -4.962 707 HG12 VAL 80 2HG1 VAL 80 0.849 3.091 -5.274 708 HG13 VAL 80 3HG1 VAL 80 0.313 1.821 -4.175 709 HG21 VAL 80 3HG2 VAL 80 0.225 2.846 -7.829 710 HG22 VAL 80 1HG2 VAL 80 -1.453 2.551 -7.360 711 HG23 VAL 80 2HG2 VAL 80 -0.594 1.371 -8.346 712 H ILE 81 H ILE 81 0.635 -1.490 -5.249 713 HA ILE 81 HA ILE 81 1.735 -1.149 -2.719 714 HB ILE 81 HB ILE 81 1.387 -3.867 -4.058 715 HG12 ILE 81 2HG1 ILE 81 -0.737 -2.729 -4.302 716 HG13 ILE 81 1HG1 ILE 81 -0.905 -3.904 -3.015 717 HG21 ILE 81 1HG2 ILE 81 2.628 -3.947 -1.958 718 HG22 ILE 81 2HG2 ILE 81 1.033 -4.666 -1.741 719 HG23 ILE 81 3HG2 ILE 81 1.353 -3.039 -1.139 720 HD11 ILE 81 3HD1 ILE 81 -0.712 -2.074 -1.361 721 HD12 ILE 81 1HD1 ILE 81 -2.069 -1.873 -2.466 722 HD13 ILE 81 2HD1 ILE 81 -0.609 -0.913 -2.689 723 H GLU 82 H GLU 82 3.049 -2.779 -5.565 724 HA GLU 82 HA GLU 82 5.510 -3.597 -4.495 725 HB2 GLU 82 2HB GLU 82 4.544 -3.040 -7.318 726 HB3 GLU 82 1HB GLU 82 6.182 -3.606 -7.007 727 HG2 GLU 82 2HG GLU 82 3.660 -5.075 -6.175 728 HG3 GLU 82 1HG GLU 82 4.609 -5.428 -7.619 729 H GLU 83 H GLU 83 4.575 -0.567 -6.127 730 HA GLU 83 HA GLU 83 7.115 0.558 -6.384 731 HB2 GLU 83 2HB GLU 83 4.387 1.858 -6.136 732 HB3 GLU 83 1HB GLU 83 5.855 2.816 -6.335 733 HG2 GLU 83 2HG GLU 83 4.722 0.783 -8.264 734 HG3 GLU 83 1HG GLU 83 4.842 2.527 -8.491 735 H MET 84 H MET 84 4.714 1.077 -3.810 736 HA MET 84 HA MET 84 6.214 2.669 -2.104 737 HB2 MET 84 2HB MET 84 4.084 0.604 -1.404 738 HB3 MET 84 1HB MET 84 4.656 1.864 -0.312 739 HG2 MET 84 2HG MET 84 3.830 3.588 -1.881 740 HG3 MET 84 1HG MET 84 3.238 2.319 -2.952 741 HE1 MET 84 3HE MET 84 0.373 0.738 -0.699 742 HE2 MET 84 1HE MET 84 2.051 0.199 -0.753 743 HE3 MET 84 2HE MET 84 1.213 0.631 -2.246 744 H GLY 85 H GLY 85 6.307 -0.795 -2.592 745 HA2 GLY 85 2HA GLY 85 7.742 -1.652 -0.360 746 HA3 GLY 85 1HA GLY 85 7.716 -2.441 -1.922 747 H LYS 86 H LYS 86 8.978 -0.065 -3.291 748 HA LYS 86 HA LYS 86 11.757 -0.656 -2.540 749 HB2 LYS 86 2HB LYS 86 10.736 0.966 -4.910 750 HB3 LYS 86 1HB LYS 86 12.426 0.634 -4.563 751 HG2 LYS 86 2HG LYS 86 12.020 -0.974 -6.155 752 HG3 LYS 86 1HG LYS 86 11.664 -1.894 -4.692 753 HD2 LYS 86 2HD LYS 86 9.907 -2.394 -6.199 754 HD3 LYS 86 1HD LYS 86 9.213 -1.249 -5.053 755 HE2 LYS 86 2HE LYS 86 10.221 -0.566 -7.841 756 HE3 LYS 86 1HE LYS 86 8.535 -0.780 -7.384 757 HZ1 LYS 86 3HZ LYS 86 10.364 1.399 -6.532 758 HZ2 LYS 86 1HZ LYS 86 8.853 1.124 -5.819 759 HZ3 LYS 86 2HZ LYS 86 8.955 1.519 -7.460 760 H GLU 87 H GLU 87 9.411 1.956 -2.295 761 HA GLU 87 HA GLU 87 11.395 4.013 -1.867 762 HB2 GLU 87 2HB GLU 87 8.376 3.963 -1.651 763 HB3 GLU 87 1HB GLU 87 9.285 5.330 -1.015 764 HG2 GLU 87 2HG GLU 87 8.619 6.010 -3.161 765 HG3 GLU 87 1HG GLU 87 10.305 5.556 -3.356 766 H ILE 88 H ILE 88 10.218 1.513 0.071 767 HA ILE 88 HA ILE 88 10.162 2.605 2.655 768 HB ILE 88 HB ILE 88 11.083 -0.190 1.813 769 HG12 ILE 88 2HG1 ILE 88 8.302 0.833 2.556 770 HG13 ILE 88 1HG1 ILE 88 8.833 0.341 0.956 771 HG21 ILE 88 1HG2 ILE 88 10.449 -0.910 4.085 772 HG22 ILE 88 2HG2 ILE 88 10.058 0.755 4.519 773 HG23 ILE 88 3HG2 ILE 88 11.724 0.309 4.143 774 HD11 ILE 88 3HD1 ILE 88 7.455 -1.353 1.968 775 HD12 ILE 88 1HD1 ILE 88 8.543 -1.456 3.352 776 HD13 ILE 88 2HD1 ILE 88 9.097 -1.952 1.751 777 H ARG 89 H ARG 89 12.924 1.203 0.825 778 HA ARG 89 HA ARG 89 14.831 1.508 2.880 779 HB2 ARG 89 2HB ARG 89 15.215 -0.073 1.071 780 HB3 ARG 89 1HB ARG 89 15.302 1.228 -0.114 781 HG2 ARG 89 2HG ARG 89 17.354 2.080 1.022 782 HG3 ARG 89 1HG ARG 89 17.266 0.727 2.147 783 HD2 ARG 89 2HD ARG 89 17.622 -0.861 0.329 784 HD3 ARG 89 1HD ARG 89 17.586 0.449 -0.858 785 HE ARG 89 HE ARG 89 19.603 0.874 1.128 786 HH11 ARG 89 1HH1 ARG 89 18.967 -0.935 -1.832 787 HH12 ARG 89 2HH1 ARG 89 20.647 -1.095 -2.243 788 HH21 ARG 89 1HH2 ARG 89 21.796 0.660 0.603 789 HH22 ARG 89 2HH2 ARG 89 22.267 -0.176 -0.845 790 HA PRO 90 HA PRO 90 16.469 5.606 0.895 791 HB2 PRO 90 2HB PRO 90 14.863 6.985 -0.887 792 HB3 PRO 90 1HB PRO 90 16.114 5.824 -1.366 793 HG2 PRO 90 2HG PRO 90 13.156 5.405 -1.140 794 HG3 PRO 90 1HG PRO 90 14.283 4.831 -2.389 795 HD2 PRO 90 2HD PRO 90 13.394 3.232 -0.399 796 HD3 PRO 90 1HD PRO 90 15.015 3.060 -1.106 797 H THR 91 H THR 91 12.909 5.502 1.438 798 HA THR 91 HA THR 91 12.662 8.027 2.732 799 HB THR 91 HB THR 91 11.029 5.479 3.135 800 HG1 THR 91 HG1 THR 91 10.072 6.112 1.372 801 HG21 THR 91 3HG2 THR 91 9.252 6.943 4.084 802 HG22 THR 91 1HG2 THR 91 10.361 8.314 4.044 803 HG23 THR 91 2HG2 THR 91 10.693 6.941 5.101 804 H TYR 92 H TYR 92 13.317 4.776 3.996 805 HA TYR 92 HA TYR 92 13.684 5.369 6.714 806 HB2 TYR 92 2HB TYR 92 13.422 3.074 5.765 807 HB3 TYR 92 1HB TYR 92 15.016 3.191 5.035 808 HD1 TYR 92 HD2 TYR 92 13.214 3.035 8.299 809 HD2 TYR 92 HD1 TYR 92 16.983 2.647 6.329 810 HE1 TYR 92 HE2 TYR 92 14.184 2.100 10.337 811 HE2 TYR 92 HE1 TYR 92 17.956 1.696 8.376 812 HH TYR 92 HH TYR 92 17.467 1.794 10.852 813 H ALA 93 H ALA 93 15.747 5.873 3.949 814 HA ALA 93 HA ALA 93 18.185 6.318 5.486 815 HB1 ALA 93 3HB ALA 93 18.300 5.132 3.335 816 HB2 ALA 93 1HB ALA 93 19.238 6.625 3.284 817 HB3 ALA 93 2HB ALA 93 17.656 6.546 2.503 818 H GLY 94 H GLY 94 15.514 8.162 5.031 819 HA2 GLY 94 2HA GLY 94 15.230 10.355 5.728 820 HA3 GLY 94 1HA GLY 94 16.956 10.626 5.591 821 H SER 95 H SER 95 16.026 9.275 2.686 822 HA SER 95 HA SER 95 16.168 11.670 1.198 823 HB2 SER 95 2HB SER 95 15.066 8.977 0.277 824 HB3 SER 95 1HB SER 95 15.658 10.276 -0.761 825 HG SER 95 HG SER 95 17.675 9.951 0.630 826 H LYS 96 H LYS 96 14.634 13.182 1.734 827 HA LYS 96 HA LYS 96 11.925 12.903 2.282 828 HB2 LYS 96 2HB LYS 96 11.734 15.327 1.739 829 HB3 LYS 96 1HB LYS 96 13.133 14.969 2.743 830 HG2 LYS 96 2HG LYS 96 14.609 15.120 0.800 831 HG3 LYS 96 1HG LYS 96 13.233 15.403 -0.259 832 HD2 LYS 96 2HD LYS 96 14.083 17.252 2.004 833 HD3 LYS 96 1HD LYS 96 14.505 17.479 0.307 834 HE2 LYS 96 2HE LYS 96 12.095 17.671 -0.251 835 HE3 LYS 96 1HE LYS 96 11.699 17.498 1.464 836 HZ1 LYS 96 3HZ LYS 96 12.896 19.524 1.940 837 HZ2 LYS 96 1HZ LYS 96 11.759 19.831 0.724 838 HZ3 LYS 96 2HZ LYS 96 13.397 19.661 0.335 839 H SER 97 H SER 97 13.487 13.029 -0.858 840 HA SER 97 HA SER 97 11.243 13.540 -2.492 841 HB2 SER 97 2HB SER 97 13.767 11.985 -3.196 842 HB3 SER 97 1HB SER 97 12.647 12.717 -4.344 843 HG SER 97 HG SER 97 13.193 14.758 -3.467 844 H ALA 98 H ALA 98 12.718 10.499 -1.357 845 HA ALA 98 HA ALA 98 10.889 8.695 -2.570 846 HB1 ALA 98 3HB ALA 98 11.825 7.018 -1.046 847 HB2 ALA 98 1HB ALA 98 12.632 8.295 -0.118 848 HB3 ALA 98 2HB ALA 98 13.091 7.990 -1.791 849 H MET 99 H MET 99 11.013 10.226 0.657 850 HA MET 99 HA MET 99 8.862 8.909 1.868 851 HB2 MET 99 2HB MET 99 10.429 10.304 3.151 852 HB3 MET 99 1HB MET 99 9.886 11.751 2.311 853 HG2 MET 99 2HG MET 99 7.653 11.510 3.347 854 HG3 MET 99 1HG MET 99 8.196 10.059 4.187 855 HE1 MET 99 3HE MET 99 10.534 13.198 3.650 856 HE2 MET 99 1HE MET 99 10.082 14.206 5.023 857 HE3 MET 99 2HE MET 99 8.931 13.933 3.714 858 H GLU 100 H GLU 100 8.956 11.815 -0.133 859 HA GLU 100 HA GLU 100 6.261 12.602 0.086 860 HB2 GLU 100 2HB GLU 100 8.192 13.966 -0.817 861 HB3 GLU 100 1HB GLU 100 8.107 13.019 -2.296 862 HG2 GLU 100 2HG GLU 100 6.989 15.089 -2.699 863 HG3 GLU 100 1HG GLU 100 5.759 13.834 -2.608 864 H ARG 101 H ARG 101 7.926 10.427 -2.135 865 HA ARG 101 HA ARG 101 5.662 9.998 -3.885 866 HB2 ARG 101 2HB ARG 101 8.267 9.838 -4.368 867 HB3 ARG 101 1HB ARG 101 8.095 8.179 -3.823 868 HG2 ARG 101 2HG ARG 101 6.412 9.351 -6.057 869 HG3 ARG 101 1HG ARG 101 7.978 8.604 -6.348 870 HD2 ARG 101 2HD ARG 101 7.179 6.459 -5.602 871 HD3 ARG 101 1HD ARG 101 5.672 7.154 -5.008 872 HE ARG 101 HE ARG 101 5.263 7.740 -7.450 873 HH11 ARG 101 1HH1 ARG 101 7.083 4.890 -6.500 874 HH12 ARG 101 2HH1 ARG 101 6.666 4.001 -7.934 875 HH21 ARG 101 1HH2 ARG 101 4.669 6.533 -9.303 876 HH22 ARG 101 2HH2 ARG 101 5.301 4.933 -9.516 877 H LEU 102 H LEU 102 7.085 8.421 -1.106 878 HA LEU 102 HA LEU 102 5.750 5.928 -1.209 879 HB2 LEU 102 2HB LEU 102 7.808 6.335 0.123 880 HB3 LEU 102 1HB LEU 102 6.927 7.431 1.175 881 HG LEU 102 HG LEU 102 5.562 5.542 2.020 882 HD11 LEU 102 1HD1 LEU 102 7.255 3.761 0.245 883 HD12 LEU 102 2HD1 LEU 102 5.532 4.093 0.056 884 HD13 LEU 102 3HD1 LEU 102 6.106 3.217 1.470 885 HD21 LEU 102 3HD2 LEU 102 8.542 4.985 2.180 886 HD22 LEU 102 1HD2 LEU 102 7.307 4.417 3.309 887 HD23 LEU 102 2HD2 LEU 102 7.647 6.138 3.174 888 H LYS 103 H LYS 103 5.094 8.930 0.630 889 HA LYS 103 HA LYS 103 2.644 8.258 1.779 890 HB2 LYS 103 2HB LYS 103 3.578 10.995 0.820 891 HB3 LYS 103 1HB LYS 103 2.206 10.718 1.892 892 HG2 LYS 103 2HG LYS 103 3.773 9.715 3.570 893 HG3 LYS 103 1HG LYS 103 5.119 10.130 2.513 894 HD2 LYS 103 2HD LYS 103 3.179 12.126 3.745 895 HD3 LYS 103 1HD LYS 103 4.806 11.792 4.336 896 HE2 LYS 103 2HE LYS 103 5.771 12.648 2.255 897 HE3 LYS 103 1HE LYS 103 4.155 12.905 1.586 898 HZ1 LYS 103 3HZ LYS 103 3.724 14.523 3.343 899 HZ2 LYS 103 1HZ LYS 103 5.095 14.960 2.454 900 HZ3 LYS 103 2HZ LYS 103 5.268 14.268 3.984 901 H ARG 104 H ARG 104 3.323 9.813 -1.354 902 HA ARG 104 HA ARG 104 0.694 10.192 -2.269 903 HB2 ARG 104 2HB ARG 104 2.733 11.181 -3.289 904 HB3 ARG 104 1HB ARG 104 3.213 9.597 -3.887 905 HG2 ARG 104 2HG ARG 104 1.128 9.550 -5.283 906 HG3 ARG 104 1HG ARG 104 0.768 11.192 -4.737 907 HD2 ARG 104 2HD ARG 104 3.161 10.280 -6.363 908 HD3 ARG 104 1HD ARG 104 1.829 11.299 -6.920 909 HE ARG 104 HE ARG 104 2.648 12.944 -5.176 910 HH11 ARG 104 1HH1 ARG 104 4.851 10.696 -6.737 911 HH12 ARG 104 2HH1 ARG 104 6.239 11.713 -6.514 912 HH21 ARG 104 1HH2 ARG 104 4.448 14.278 -4.863 913 HH22 ARG 104 2HH2 ARG 104 6.001 13.765 -5.442 914 H GLY 105 H GLY 105 2.819 7.386 -2.372 915 HA2 GLY 105 2HA GLY 105 1.375 5.624 -3.976 916 HA3 GLY 105 1HA GLY 105 2.411 5.158 -2.632 917 H ILE 106 H ILE 106 1.087 6.277 -0.476 918 HA ILE 106 HA ILE 106 -1.030 4.427 -0.027 919 HB ILE 106 HB ILE 106 0.183 6.651 1.623 920 HG12 ILE 106 2HG1 ILE 106 0.530 4.722 3.254 921 HG13 ILE 106 1HG1 ILE 106 -0.129 3.636 2.045 922 HG21 ILE 106 1HG2 ILE 106 -2.348 5.180 2.457 923 HG22 ILE 106 2HG2 ILE 106 -2.193 6.909 2.135 924 HG23 ILE 106 3HG2 ILE 106 -1.360 6.192 3.513 925 HD11 ILE 106 3HD1 ILE 106 2.286 3.546 2.117 926 HD12 ILE 106 1HD1 ILE 106 2.386 5.275 1.794 927 HD13 ILE 106 2HD1 ILE 106 1.748 4.188 0.564 928 H ILE 107 H ILE 107 -1.081 7.951 -0.827 929 HA ILE 107 HA ILE 107 -3.873 8.341 -0.479 930 HB ILE 107 HB ILE 107 -1.872 9.786 -2.270 931 HG12 ILE 107 2HG1 ILE 107 -2.418 11.755 -0.787 932 HG13 ILE 107 1HG1 ILE 107 -3.444 10.710 0.186 933 HG21 ILE 107 1HG2 ILE 107 -4.842 10.417 -2.065 934 HG22 ILE 107 2HG2 ILE 107 -3.982 9.867 -3.504 935 HG23 ILE 107 3HG2 ILE 107 -3.638 11.458 -2.831 936 HD11 ILE 107 3HD1 ILE 107 -1.328 11.104 1.258 937 HD12 ILE 107 1HD1 ILE 107 -0.460 10.498 -0.153 938 HD13 ILE 107 2HD1 ILE 107 -1.458 9.403 0.808 939 H HIS 108 H HIS 108 -1.977 7.422 -3.340 940 HA HIS 108 HA HIS 108 -4.173 7.230 -5.146 941 HB2 HIS 108 2HB HIS 108 -1.815 7.652 -5.865 942 HB3 HIS 108 1HB HIS 108 -1.394 6.009 -5.397 943 HD1 HIS 108 HD1 HIS 108 -0.903 4.948 -7.607 944 HD2 HIS 108 HD2 HIS 108 -4.478 7.063 -7.673 945 HE1 HIS 108 HE1 HIS 108 -1.924 4.475 -9.846 946 HE2 HIS 108 HE2 HIS 108 -4.167 5.602 -9.780 947 H ALA 109 H ALA 109 -2.467 4.879 -3.127 948 HA ALA 109 HA ALA 109 -3.658 2.543 -4.251 949 HB1 ALA 109 3HB ALA 109 -2.760 1.368 -2.283 950 HB2 ALA 109 1HB ALA 109 -2.359 2.921 -1.539 951 HB3 ALA 109 2HB ALA 109 -1.554 2.420 -3.021 952 H ARG 110 H ARG 110 -4.410 4.558 -1.414 953 HA ARG 110 HA ARG 110 -6.567 2.978 -0.405 954 HB2 ARG 110 2HB ARG 110 -5.246 4.705 0.913 955 HB3 ARG 110 1HB ARG 110 -6.099 5.967 0.033 956 HG2 ARG 110 2HG ARG 110 -8.242 5.187 0.993 957 HG3 ARG 110 1HG ARG 110 -7.392 3.901 1.852 958 HD2 ARG 110 2HD ARG 110 -6.098 5.639 3.106 959 HD3 ARG 110 1HD ARG 110 -7.048 6.891 2.292 960 HE ARG 110 HE ARG 110 -8.741 4.994 3.580 961 HH11 ARG 110 1HH1 ARG 110 -6.675 7.737 4.322 962 HH12 ARG 110 2HH1 ARG 110 -7.532 8.145 5.774 963 HH21 ARG 110 1HH2 ARG 110 -9.847 5.511 5.500 964 HH22 ARG 110 2HH2 ARG 110 -9.341 6.881 6.449 965 H ALA 111 H ALA 111 -6.263 5.555 -2.755 966 HA ALA 111 HA ALA 111 -9.010 6.144 -3.157 967 HB1 ALA 111 3HB ALA 111 -8.263 7.205 -5.249 968 HB2 ALA 111 1HB ALA 111 -6.666 6.468 -5.063 969 HB3 ALA 111 2HB ALA 111 -7.230 7.664 -3.897 970 H LEU 112 H LEU 112 -6.715 3.943 -4.766 971 HA LEU 112 HA LEU 112 -8.458 2.990 -6.778 972 HB2 LEU 112 2HB LEU 112 -5.912 1.840 -5.602 973 HB3 LEU 112 1HB LEU 112 -6.784 1.016 -6.886 974 HG LEU 112 HG LEU 112 -5.628 3.826 -7.117 975 HD11 LEU 112 1HD1 LEU 112 -3.927 2.837 -8.584 976 HD12 LEU 112 2HD1 LEU 112 -4.577 1.225 -8.276 977 HD13 LEU 112 3HD1 LEU 112 -3.849 2.150 -6.962 978 HD21 LEU 112 3HD2 LEU 112 -7.611 3.512 -8.531 979 HD22 LEU 112 1HD2 LEU 112 -6.901 2.058 -9.239 980 HD23 LEU 112 2HD2 LEU 112 -6.155 3.635 -9.512 981 H VAL 113 H VAL 113 -7.911 1.856 -3.455 982 HA VAL 113 HA VAL 113 -9.411 -0.572 -3.760 983 HB VAL 113 HB VAL 113 -8.992 0.888 -1.110 984 HG11 VAL 113 1HG1 VAL 113 -9.491 -2.053 -1.740 985 HG12 VAL 113 2HG1 VAL 113 -10.648 -0.926 -1.025 986 HG13 VAL 113 3HG1 VAL 113 -9.199 -1.386 -0.132 987 HG21 VAL 113 3HG2 VAL 113 -6.955 -0.450 -0.776 988 HG22 VAL 113 1HG2 VAL 113 -6.801 0.603 -2.180 989 HG23 VAL 113 2HG2 VAL 113 -7.112 -1.115 -2.403 990 H ARG 114 H ARG 114 -10.229 2.721 -2.512 991 HA ARG 114 HA ARG 114 -12.906 1.982 -1.797 992 HB2 ARG 114 2HB ARG 114 -13.324 4.346 -1.294 993 HB3 ARG 114 1HB ARG 114 -11.815 3.795 -0.595 994 HG2 ARG 114 2HG ARG 114 -11.308 5.935 -1.331 995 HG3 ARG 114 1HG ARG 114 -10.671 4.916 -2.618 996 HD2 ARG 114 2HD ARG 114 -11.800 6.883 -3.536 997 HD3 ARG 114 1HD ARG 114 -12.678 5.420 -3.988 998 HE ARG 114 HE ARG 114 -13.606 6.792 -1.597 999 HH11 ARG 114 1HH1 ARG 114 -14.110 6.434 -5.070 1000 HH12 ARG 114 2HH1 ARG 114 -15.733 7.052 -5.008 1001 HH21 ARG 114 1HH2 ARG 114 -15.745 7.555 -1.551 1002 HH22 ARG 114 2HH2 ARG 114 -16.648 7.681 -3.027 1003 H GLU 115 H GLU 115 -11.495 3.172 -4.750 1004 HA GLU 115 HA GLU 115 -13.905 3.819 -6.118 1005 HB2 GLU 115 2HB GLU 115 -11.215 2.831 -7.177 1006 HB3 GLU 115 1HB GLU 115 -12.529 3.365 -8.213 1007 HG2 GLU 115 2HG GLU 115 -11.030 5.072 -6.217 1008 HG3 GLU 115 1HG GLU 115 -10.816 5.088 -7.963 1009 H CYS 116 H CYS 116 -11.928 0.865 -5.837 1010 HA CYS 116 HA CYS 116 -13.638 -0.706 -7.536 1011 HB2 CYS 116 2HB CYS 116 -11.312 -1.577 -5.795 1012 HB3 CYS 116 1HB CYS 116 -12.096 -2.565 -7.024 1013 HG CYS 116 HG CYS 116 -9.502 -0.817 -7.369 1014 H LEU 117 H LEU 117 -13.566 -0.100 -4.099 1015 HA LEU 117 HA LEU 117 -14.868 -2.400 -3.098 1016 HB2 LEU 117 2HB LEU 117 -14.794 0.491 -2.173 1017 HB3 LEU 117 1HB LEU 117 -15.843 -0.647 -1.349 1018 HG LEU 117 HG LEU 117 -12.838 -1.098 -1.594 1019 HD11 LEU 117 1HD1 LEU 117 -14.314 0.167 0.739 1020 HD12 LEU 117 2HD1 LEU 117 -13.252 1.013 -0.383 1021 HD13 LEU 117 3HD1 LEU 117 -12.593 -0.228 0.673 1022 HD21 LEU 117 3HD2 LEU 117 -14.869 -2.270 0.335 1023 HD22 LEU 117 1HD2 LEU 117 -13.145 -2.652 0.260 1024 HD23 LEU 117 2HD2 LEU 117 -14.206 -3.095 -1.076 1025 H ALA 118 H ALA 118 -16.038 0.388 -4.818 1026 HA ALA 118 HA ALA 118 -18.815 0.077 -4.511 1027 HB1 ALA 118 3HB ALA 118 -17.294 1.322 -6.818 1028 HB2 ALA 118 1HB ALA 118 -17.719 2.137 -5.312 1029 HB3 ALA 118 2HB ALA 118 -18.989 1.606 -6.414 1030 H GLU 119 H GLU 119 -16.713 -1.027 -7.283 1031 HA GLU 119 HA GLU 119 -18.802 -2.464 -8.581 1032 HB2 GLU 119 2HB GLU 119 -17.053 -3.220 -10.111 1033 HB3 GLU 119 1HB GLU 119 -16.861 -1.505 -9.774 1034 HG2 GLU 119 2HG GLU 119 -15.057 -2.066 -8.129 1035 HG3 GLU 119 1HG GLU 119 -15.224 -3.758 -8.580 1036 H THR 120 H THR 120 -16.443 -3.354 -6.171 1037 HA THR 120 HA THR 120 -16.576 -6.214 -6.565 1038 HB THR 120 HB THR 120 -15.467 -4.584 -4.220 1039 HG1 THR 120 HG1 THR 120 -14.516 -4.448 -6.478 1040 HG21 THR 120 3HG2 THR 120 -14.992 -7.518 -4.916 1041 HG22 THR 120 1HG2 THR 120 -15.852 -6.910 -3.498 1042 HG23 THR 120 2HG2 THR 120 -14.125 -6.605 -3.680 1043 H GLU 121 H GLU 121 -18.315 -3.779 -4.794 1044 HA GLU 121 HA GLU 121 -19.729 -5.361 -2.954 1045 HB2 GLU 121 2HB GLU 121 -19.530 -2.831 -3.002 1046 HB3 GLU 121 1HB GLU 121 -20.717 -2.824 -4.303 1047 HG2 GLU 121 2HG GLU 121 -21.808 -2.301 -2.218 1048 HG3 GLU 121 1HG GLU 121 -22.363 -3.875 -2.780 1049 H ARG 122 H ARG 122 -20.203 -4.784 -6.387 1050 HA ARG 122 HA ARG 122 -22.838 -5.764 -6.713 1051 HB2 ARG 122 2HB ARG 122 -20.487 -5.841 -8.639 1052 HB3 ARG 122 1HB ARG 122 -22.145 -6.201 -9.096 1053 HG2 ARG 122 2HG ARG 122 -21.209 -3.516 -8.039 1054 HG3 ARG 122 1HG ARG 122 -21.371 -3.926 -9.746 1055 HD2 ARG 122 2HD ARG 122 -23.338 -2.713 -9.150 1056 HD3 ARG 122 1HD ARG 122 -23.826 -4.400 -9.292 1057 HE ARG 122 HE ARG 122 -24.231 -4.480 -7.020 1058 HH11 ARG 122 1HH1 ARG 122 -22.708 -1.399 -7.780 1059 HH12 ARG 122 2HH1 ARG 122 -23.047 -0.704 -6.222 1060 HH21 ARG 122 1HH2 ARG 122 -24.666 -3.566 -4.976 1061 HH22 ARG 122 2HH2 ARG 122 -24.160 -1.936 -4.636 1062 H ASN 123 H ASN 123 -19.795 -7.408 -6.236 1063 HA ASN 123 HA ASN 123 -20.942 -10.073 -6.692 1064 HB2 ASN 123 2HB ASN 123 -18.645 -9.711 -7.505 1065 HB3 ASN 123 1HB ASN 123 -18.112 -9.215 -5.895 1066 HD21 ASN 123 1HD2 ASN 123 -17.712 -10.828 -4.365 1067 HD22 ASN 123 2HD2 ASN 123 -17.718 -12.516 -4.729 1068 H ALA 124 H ALA 124 -19.900 -7.931 -4.114 1069 HA ALA 124 HA ALA 124 -19.919 -9.851 -1.995 1070 HB1 ALA 124 3HB ALA 124 -18.521 -7.834 -1.896 1071 HB2 ALA 124 1HB ALA 124 -19.607 -7.928 -0.511 1072 HB3 ALA 124 2HB ALA 124 -19.964 -6.821 -1.839 1073 H ARG 125 H ARG 125 -21.341 -9.825 -0.166 1074 HA ARG 125 HA ARG 125 -24.109 -9.888 -1.031 1075 HB2 ARG 125 2HB ARG 125 -22.812 -10.724 1.609 1076 HB3 ARG 125 1HB ARG 125 -24.476 -11.058 1.128 1077 HG2 ARG 125 2HG ARG 125 -23.731 -12.500 -0.680 1078 HG3 ARG 125 1HG ARG 125 -22.044 -12.077 -0.372 1079 HD2 ARG 125 2HD ARG 125 -22.218 -13.117 1.879 1080 HD3 ARG 125 1HD ARG 125 -23.883 -13.578 1.519 1081 HE ARG 125 HE ARG 125 -22.478 -14.705 -0.520 1082 HH11 ARG 125 1HH1 ARG 125 -22.133 -14.889 2.990 1083 HH12 ARG 125 2HH1 ARG 125 -21.473 -16.496 2.965 1084 HH21 ARG 125 1HH2 ARG 125 -21.624 -16.830 -0.534 1085 HH22 ARG 125 2HH2 ARG 125 -21.185 -17.597 0.965 1086 H THR 126 H THR 126 -25.194 -8.024 -0.927 1087 HA THR 126 HA THR 126 -25.721 -6.912 1.693 1088 HB THR 126 HB THR 126 -25.785 -4.500 0.459 1089 HG1 THR 126 HG1 THR 126 -23.468 -5.526 -0.758 1090 HG21 THR 126 3HG2 THR 126 -23.539 -3.953 1.363 1091 HG22 THR 126 1HG2 THR 126 -23.213 -5.676 1.570 1092 HG23 THR 126 2HG2 THR 126 -24.486 -4.900 2.513 Start of MODEL 5 1 H1 SER 58 1H SER 58 -22.419 -2.888 -17.772 2 H2 SER 58 2H SER 58 -22.131 -4.526 -17.475 3 H3 SER 58 3H SER 58 -22.868 -3.569 -16.295 4 HA SER 58 HA SER 58 -24.025 -4.102 -18.948 5 HB2 SER 58 2HB SER 58 -24.602 -5.458 -16.271 6 HB3 SER 58 1HB SER 58 -25.503 -5.738 -17.764 7 HG SER 58 HG SER 58 -23.748 -6.716 -18.652 8 H HIS 59 H HIS 59 -25.492 -2.522 -19.375 9 HA HIS 59 HA HIS 59 -26.347 -0.629 -17.408 10 HB2 HIS 59 2HB HIS 59 -26.045 0.095 -19.755 11 HB3 HIS 59 1HB HIS 59 -27.340 -0.984 -20.275 12 HD1 HIS 59 HD1 HIS 59 -29.500 0.207 -20.599 13 HD2 HIS 59 HD2 HIS 59 -27.194 2.025 -17.651 14 HE1 HIS 59 HE1 HIS 59 -30.835 2.183 -19.808 15 HE2 HIS 59 HE2 HIS 59 -29.397 3.285 -18.073 16 H MET 60 H MET 60 -27.323 -1.865 -15.869 17 HA MET 60 HA MET 60 -30.131 -2.673 -16.297 18 HB2 MET 60 2HB MET 60 -28.036 -4.305 -14.760 19 HB3 MET 60 1HB MET 60 -29.757 -4.665 -14.807 20 HG2 MET 60 2HG MET 60 -29.624 -5.160 -17.192 21 HG3 MET 60 1HG MET 60 -27.924 -4.688 -17.212 22 HE1 MET 60 3HE MET 60 -27.833 -8.607 -17.718 23 HE2 MET 60 1HE MET 60 -27.304 -7.062 -18.382 24 HE3 MET 60 2HE MET 60 -29.021 -7.469 -18.356 25 H ALA 61 H ALA 61 -31.270 -2.756 -14.138 26 HA ALA 61 HA ALA 61 -30.582 -0.540 -12.434 27 HB1 ALA 61 3HB ALA 61 -32.577 -1.213 -11.124 28 HB2 ALA 61 1HB ALA 61 -32.694 -2.714 -12.053 29 HB3 ALA 61 2HB ALA 61 -32.944 -1.160 -12.848 30 H MET 62 H MET 62 -28.502 -1.053 -11.727 31 HA MET 62 HA MET 62 -27.455 -3.549 -11.204 32 HB2 MET 62 2HB MET 62 -25.463 -2.335 -10.271 33 HB3 MET 62 1HB MET 62 -25.999 -1.728 -11.823 34 HG2 MET 62 2HG MET 62 -26.919 0.250 -10.839 35 HG3 MET 62 1HG MET 62 -26.740 -0.406 -9.210 36 HE1 MET 62 3HE MET 62 -25.540 1.800 -8.370 37 HE2 MET 62 1HE MET 62 -25.698 2.526 -9.972 38 HE3 MET 62 2HE MET 62 -24.134 2.510 -9.160 39 H LYS 63 H LYS 63 -28.520 -4.817 -9.759 40 HA LYS 63 HA LYS 63 -28.019 -4.645 -6.973 41 HB2 LYS 63 2HB LYS 63 -29.849 -2.873 -7.292 42 HB3 LYS 63 1HB LYS 63 -30.928 -4.162 -7.805 43 HG2 LYS 63 2HG LYS 63 -30.871 -5.169 -5.603 44 HG3 LYS 63 1HG LYS 63 -29.618 -4.042 -5.072 45 HD2 LYS 63 2HD LYS 63 -31.206 -2.147 -5.326 46 HD3 LYS 63 1HD LYS 63 -32.459 -3.262 -5.878 47 HE2 LYS 63 2HE LYS 63 -31.163 -3.324 -3.126 48 HE3 LYS 63 1HE LYS 63 -32.738 -2.623 -3.494 49 HZ1 LYS 63 3HZ LYS 63 -32.959 -4.845 -2.607 50 HZ2 LYS 63 1HZ LYS 63 -31.990 -5.473 -3.838 51 HZ3 LYS 63 2HZ LYS 63 -33.494 -4.803 -4.208 52 HA PRO 64 HA PRO 64 -28.949 -8.702 -9.139 53 HB2 PRO 64 2HB PRO 64 -26.379 -9.769 -8.188 54 HB3 PRO 64 1HB PRO 64 -26.848 -9.334 -9.842 55 HG2 PRO 64 2HG PRO 64 -24.969 -7.956 -8.398 56 HG3 PRO 64 1HG PRO 64 -25.932 -7.239 -9.710 57 HD2 PRO 64 2HD PRO 64 -26.370 -7.049 -6.730 58 HD3 PRO 64 1HD PRO 64 -26.469 -5.780 -7.975 59 HA PRO 65 HA PRO 65 -30.322 -11.131 -5.498 60 HB2 PRO 65 2HB PRO 65 -30.450 -13.368 -7.516 61 HB3 PRO 65 1HB PRO 65 -31.709 -12.760 -6.414 62 HG2 PRO 65 2HG PRO 65 -31.856 -12.214 -9.004 63 HG3 PRO 65 1HG PRO 65 -32.267 -10.962 -7.805 64 HD2 PRO 65 2HD PRO 65 -29.699 -11.297 -9.372 65 HD3 PRO 65 1HD PRO 65 -30.653 -9.822 -9.076 66 H GLY 66 H GLY 66 -27.946 -12.341 -7.857 67 HA2 GLY 66 2HA GLY 66 -26.561 -14.073 -6.001 68 HA3 GLY 66 1HA GLY 66 -26.046 -13.623 -7.620 69 H ALA 67 H ALA 67 -26.341 -12.318 -4.318 70 HA ALA 67 HA ALA 67 -24.086 -10.440 -4.821 71 HB1 ALA 67 3HB ALA 67 -26.268 -9.291 -4.602 72 HB2 ALA 67 1HB ALA 67 -25.199 -8.890 -3.253 73 HB3 ALA 67 2HB ALA 67 -26.516 -10.043 -3.027 74 H GLN 68 H GLN 68 -23.928 -13.203 -3.832 75 HA GLN 68 HA GLN 68 -23.305 -13.100 -0.992 76 HB2 GLN 68 2HB GLN 68 -24.189 -15.163 -2.034 77 HB3 GLN 68 1HB GLN 68 -22.820 -15.224 -3.131 78 HG2 GLN 68 2HG GLN 68 -21.337 -15.538 -1.110 79 HG3 GLN 68 1HG GLN 68 -22.799 -15.703 -0.143 80 HE21 GLN 68 1HE2 GLN 68 -22.367 -16.982 -3.453 81 HE22 GLN 68 2HE2 GLN 68 -22.439 -18.644 -2.987 82 H GLY 69 H GLY 69 -21.642 -11.721 -0.587 83 HA2 GLY 69 2HA GLY 69 -19.220 -11.628 -0.228 84 HA3 GLY 69 1HA GLY 69 -18.992 -12.103 -1.908 85 H SER 70 H SER 70 -19.046 -9.466 0.173 86 HA SER 70 HA SER 70 -19.675 -7.486 -1.956 87 HB2 SER 70 2HB SER 70 -21.347 -7.629 -0.047 88 HB3 SER 70 1HB SER 70 -20.064 -7.153 1.063 89 HG SER 70 HG SER 70 -21.448 -5.626 -0.844 90 H GLN 71 H GLN 71 -18.734 -5.218 -0.835 91 HA GLN 71 HA GLN 71 -15.978 -5.210 -1.226 92 HB2 GLN 71 2HB GLN 71 -16.108 -2.857 -0.214 93 HB3 GLN 71 1HB GLN 71 -17.140 -3.190 -1.593 94 HG2 GLN 71 2HG GLN 71 -18.475 -1.919 -0.142 95 HG3 GLN 71 1HG GLN 71 -19.037 -3.576 0.049 96 HE21 GLN 71 1HE2 GLN 71 -19.960 -3.268 2.047 97 HE22 GLN 71 2HE2 GLN 71 -19.054 -2.924 3.476 98 H SER 72 H SER 72 -17.777 -5.574 1.814 99 HA SER 72 HA SER 72 -16.084 -5.062 3.789 100 HB2 SER 72 2HB SER 72 -17.833 -7.540 3.629 101 HB3 SER 72 1HB SER 72 -17.289 -6.753 5.114 102 HG SER 72 HG SER 72 -18.475 -4.949 4.575 103 H THR 73 H THR 73 -15.547 -7.848 1.656 104 HA THR 73 HA THR 73 -13.531 -9.041 3.367 105 HB THR 73 HB THR 73 -14.814 -10.483 1.833 106 HG1 THR 73 HG1 THR 73 -12.127 -10.492 0.918 107 HG21 THR 73 3HG2 THR 73 -14.395 -10.503 -0.611 108 HG22 THR 73 1HG2 THR 73 -13.399 -9.057 -0.458 109 HG23 THR 73 2HG2 THR 73 -15.126 -8.978 -0.101 110 H TYR 74 H TYR 74 -13.626 -6.911 0.595 111 HA TYR 74 HA TYR 74 -10.785 -6.809 0.086 112 HB2 TYR 74 2HB TYR 74 -12.403 -6.741 -1.739 113 HB3 TYR 74 1HB TYR 74 -13.212 -5.340 -1.047 114 HD1 TYR 74 HD1 TYR 74 -9.684 -6.256 -2.024 115 HD2 TYR 74 HD2 TYR 74 -12.838 -3.386 -2.248 116 HE1 TYR 74 HE1 TYR 74 -8.263 -4.789 -3.381 117 HE2 TYR 74 HE2 TYR 74 -11.417 -1.922 -3.598 118 HH TYR 74 HH TYR 74 -8.519 -2.936 -4.996 119 H THR 75 H THR 75 -13.010 -5.021 2.089 120 HA THR 75 HA THR 75 -11.734 -2.492 2.218 121 HB THR 75 HB THR 75 -13.440 -3.821 4.373 122 HG1 THR 75 HG1 THR 75 -15.177 -3.149 3.231 123 HG21 THR 75 3HG2 THR 75 -12.380 -1.731 5.168 124 HG22 THR 75 1HG2 THR 75 -14.117 -1.503 4.952 125 HG23 THR 75 2HG2 THR 75 -12.988 -0.870 3.753 126 H ASP 76 H ASP 76 -10.879 -5.564 3.577 127 HA ASP 76 HA ASP 76 -9.287 -4.883 5.772 128 HB2 ASP 76 2HB ASP 76 -9.921 -7.228 5.106 129 HB3 ASP 76 1HB ASP 76 -8.788 -7.134 3.758 130 H LEU 77 H LEU 77 -8.607 -4.937 2.293 131 HA LEU 77 HA LEU 77 -5.863 -4.253 2.370 132 HB2 LEU 77 2HB LEU 77 -6.928 -5.237 0.381 133 HB3 LEU 77 1HB LEU 77 -7.916 -3.798 0.164 134 HG LEU 77 HG LEU 77 -5.898 -2.458 -0.371 135 HD11 LEU 77 1HD1 LEU 77 -4.315 -5.009 0.040 136 HD12 LEU 77 2HD1 LEU 77 -4.257 -3.558 1.046 137 HD13 LEU 77 3HD1 LEU 77 -3.690 -3.493 -0.619 138 HD21 LEU 77 3HD2 LEU 77 -5.275 -3.508 -2.506 139 HD22 LEU 77 1HD2 LEU 77 -7.014 -3.569 -2.226 140 HD23 LEU 77 2HD2 LEU 77 -6.033 -5.018 -1.990 141 H LEU 78 H LEU 78 -8.820 -2.270 2.174 142 HA LEU 78 HA LEU 78 -7.738 0.283 1.771 143 HB2 LEU 78 2HB LEU 78 -10.185 -0.360 1.733 144 HB3 LEU 78 1HB LEU 78 -10.147 -0.484 3.480 145 HG LEU 78 HG LEU 78 -9.488 2.033 3.476 146 HD11 LEU 78 1HD1 LEU 78 -8.868 2.249 1.129 147 HD12 LEU 78 2HD1 LEU 78 -10.186 3.348 1.528 148 HD13 LEU 78 3HD1 LEU 78 -10.518 1.865 0.630 149 HD21 LEU 78 3HD2 LEU 78 -12.269 1.232 2.574 150 HD22 LEU 78 1HD2 LEU 78 -11.828 2.760 3.339 151 HD23 LEU 78 2HD2 LEU 78 -11.669 1.251 4.234 152 H SER 79 H SER 79 -8.180 -1.629 4.693 153 HA SER 79 HA SER 79 -7.334 0.272 6.616 154 HB2 SER 79 2HB SER 79 -7.222 -2.766 6.789 155 HB3 SER 79 1HB SER 79 -7.232 -1.631 8.145 156 HG SER 79 HG SER 79 -9.308 -2.112 6.267 157 H VAL 80 H VAL 80 -5.598 -2.457 4.993 158 HA VAL 80 HA VAL 80 -3.155 -2.269 6.327 159 HB VAL 80 HB VAL 80 -3.535 -3.178 3.425 160 HG11 VAL 80 1HG1 VAL 80 -1.160 -2.836 3.952 161 HG12 VAL 80 2HG1 VAL 80 -1.507 -4.558 3.794 162 HG13 VAL 80 3HG1 VAL 80 -1.309 -3.843 5.396 163 HG21 VAL 80 3HG2 VAL 80 -5.034 -4.409 4.939 164 HG22 VAL 80 1HG2 VAL 80 -3.671 -4.846 5.963 165 HG23 VAL 80 2HG2 VAL 80 -3.773 -5.467 4.311 166 H ILE 81 H ILE 81 -4.166 -0.703 3.275 167 HA ILE 81 HA ILE 81 -1.793 0.581 2.571 168 HB ILE 81 HB ILE 81 -4.606 1.685 2.086 169 HG12 ILE 81 2HG1 ILE 81 -4.473 -0.622 1.220 170 HG13 ILE 81 1HG1 ILE 81 -4.517 0.508 -0.122 171 HG21 ILE 81 1HG2 ILE 81 -1.971 2.200 0.648 172 HG22 ILE 81 2HG2 ILE 81 -2.866 3.340 1.652 173 HG23 ILE 81 3HG2 ILE 81 -3.545 2.799 0.121 174 HD11 ILE 81 3HD1 ILE 81 -2.979 -1.297 -0.539 175 HD12 ILE 81 1HD1 ILE 81 -2.082 -0.924 0.930 176 HD13 ILE 81 2HD1 ILE 81 -2.095 0.223 -0.414 177 H GLU 82 H GLU 82 -4.519 1.831 4.515 178 HA GLU 82 HA GLU 82 -3.440 4.427 4.908 179 HB2 GLU 82 2HB GLU 82 -5.854 3.944 4.996 180 HB3 GLU 82 1HB GLU 82 -5.638 2.986 6.454 181 HG2 GLU 82 2HG GLU 82 -5.042 4.950 7.731 182 HG3 GLU 82 1HG GLU 82 -4.964 5.937 6.272 183 H GLU 83 H GLU 83 -3.260 1.418 6.755 184 HA GLU 83 HA GLU 83 -2.121 2.314 9.163 185 HB2 GLU 83 2HB GLU 83 -1.771 -0.307 7.649 186 HB3 GLU 83 1HB GLU 83 -1.094 -0.043 9.252 187 HG2 GLU 83 2HG GLU 83 -4.043 0.112 8.599 188 HG3 GLU 83 1HG GLU 83 -3.236 -1.318 9.228 189 H MET 84 H MET 84 -0.606 1.216 6.127 190 HA MET 84 HA MET 84 2.071 1.625 6.836 191 HB2 MET 84 2HB MET 84 0.713 1.615 4.106 192 HB3 MET 84 1HB MET 84 2.462 1.645 4.326 193 HG2 MET 84 2HG MET 84 2.299 -0.502 5.576 194 HG3 MET 84 1HG MET 84 0.575 -0.550 5.205 195 HE1 MET 84 3HE MET 84 0.681 -0.949 1.256 196 HE2 MET 84 1HE MET 84 0.563 0.578 2.127 197 HE3 MET 84 2HE MET 84 -0.381 -0.818 2.657 198 H GLY 85 H GLY 85 -0.298 3.801 5.316 199 HA2 GLY 85 2HA GLY 85 1.357 5.991 4.722 200 HA3 GLY 85 1HA GLY 85 -0.373 6.054 4.973 201 H LYS 86 H LYS 86 0.043 4.968 7.751 202 HA LYS 86 HA LYS 86 0.463 7.454 9.191 203 HB2 LYS 86 2HB LYS 86 -0.007 4.587 10.158 204 HB3 LYS 86 1HB LYS 86 -0.029 6.018 11.192 205 HG2 LYS 86 2HG LYS 86 -2.055 6.819 10.260 206 HG3 LYS 86 1HG LYS 86 -1.917 5.783 8.838 207 HD2 LYS 86 2HD LYS 86 -3.674 4.964 10.363 208 HD3 LYS 86 1HD LYS 86 -2.370 3.791 10.203 209 HE2 LYS 86 2HE LYS 86 -1.456 4.543 12.389 210 HE3 LYS 86 1HE LYS 86 -2.797 5.682 12.545 211 HZ1 LYS 86 3HZ LYS 86 -3.190 2.756 12.229 212 HZ2 LYS 86 1HZ LYS 86 -4.338 3.911 12.680 213 HZ3 LYS 86 2HZ LYS 86 -3.078 3.516 13.735 214 H GLU 87 H GLU 87 2.069 4.356 8.699 215 HA GLU 87 HA GLU 87 4.076 4.813 10.763 216 HB2 GLU 87 2HB GLU 87 3.494 2.396 9.001 217 HB3 GLU 87 1HB GLU 87 4.616 2.423 10.365 218 HG2 GLU 87 2HG GLU 87 2.779 2.965 11.901 219 HG3 GLU 87 1HG GLU 87 1.647 3.004 10.555 220 H ILE 88 H ILE 88 3.996 5.789 7.647 221 HA ILE 88 HA ILE 88 6.707 5.362 6.819 222 HB ILE 88 HB ILE 88 4.756 7.593 6.041 223 HG12 ILE 88 2HG1 ILE 88 5.429 5.018 4.549 224 HG13 ILE 88 1HG1 ILE 88 4.002 5.242 5.546 225 HG21 ILE 88 1HG2 ILE 88 6.159 7.940 4.026 226 HG22 ILE 88 2HG2 ILE 88 7.325 6.762 4.630 227 HG23 ILE 88 3HG2 ILE 88 7.070 8.275 5.501 228 HD11 ILE 88 3HD1 ILE 88 3.520 5.465 3.190 229 HD12 ILE 88 1HD1 ILE 88 4.646 6.812 3.064 230 HD13 ILE 88 2HD1 ILE 88 3.191 6.959 4.056 231 H ARG 89 H ARG 89 5.186 7.494 9.152 232 HA ARG 89 HA ARG 89 7.154 9.562 9.127 233 HB2 ARG 89 2HB ARG 89 4.880 10.048 9.910 234 HB3 ARG 89 1HB ARG 89 5.049 8.890 11.222 235 HG2 ARG 89 2HG ARG 89 5.305 11.090 12.145 236 HG3 ARG 89 1HG ARG 89 6.886 10.319 12.181 237 HD2 ARG 89 2HD ARG 89 7.429 11.524 10.043 238 HD3 ARG 89 1HD ARG 89 5.908 12.400 10.207 239 HE ARG 89 HE ARG 89 6.894 13.169 12.434 240 HH11 ARG 89 1HH1 ARG 89 8.859 12.465 9.612 241 HH12 ARG 89 2HH1 ARG 89 10.119 13.569 10.053 242 HH21 ARG 89 1HH2 ARG 89 8.531 14.669 12.984 243 HH22 ARG 89 2HH2 ARG 89 9.933 14.817 11.970 244 HA PRO 90 HA PRO 90 9.066 7.253 13.052 245 HB2 PRO 90 2HB PRO 90 8.003 4.468 12.791 246 HB3 PRO 90 1HB PRO 90 8.224 5.458 14.244 247 HG2 PRO 90 2HG PRO 90 5.790 4.972 13.252 248 HG3 PRO 90 1HG PRO 90 6.198 6.534 14.002 249 HD2 PRO 90 2HD PRO 90 5.950 5.855 11.084 250 HD3 PRO 90 1HD PRO 90 5.444 7.309 11.953 251 H THR 91 H THR 91 8.378 5.284 10.139 252 HA THR 91 HA THR 91 10.831 3.939 9.856 253 HB THR 91 HB THR 91 8.891 4.899 7.712 254 HG1 THR 91 HG1 THR 91 7.801 3.181 8.277 255 HG21 THR 91 3HG2 THR 91 11.142 2.865 7.437 256 HG22 THR 91 1HG2 THR 91 11.050 4.428 6.618 257 HG23 THR 91 2HG2 THR 91 9.886 3.159 6.236 258 H TYR 92 H TYR 92 9.800 7.073 8.479 259 HA TYR 92 HA TYR 92 12.282 7.773 7.319 260 HB2 TYR 92 2HB TYR 92 10.118 8.822 6.652 261 HB3 TYR 92 1HB TYR 92 10.016 9.621 8.221 262 HD1 TYR 92 HD2 TYR 92 12.102 9.390 5.117 263 HD2 TYR 92 HD1 TYR 92 11.112 11.756 8.543 264 HE1 TYR 92 HE2 TYR 92 13.442 11.237 4.225 265 HE2 TYR 92 HE1 TYR 92 12.461 13.612 7.643 266 HH TYR 92 HH TYR 92 14.381 13.877 6.075 267 H ALA 93 H ALA 93 11.005 8.080 10.591 268 HA ALA 93 HA ALA 93 13.040 9.875 11.586 269 HB1 ALA 93 3HB ALA 93 10.787 9.783 12.581 270 HB2 ALA 93 1HB ALA 93 12.022 9.421 13.784 271 HB3 ALA 93 2HB ALA 93 11.057 8.114 13.087 272 H GLY 94 H GLY 94 13.401 6.804 10.498 273 HA2 GLY 94 2HA GLY 94 15.395 5.604 10.529 274 HA3 GLY 94 1HA GLY 94 15.872 6.414 12.011 275 H SER 95 H SER 95 12.772 5.357 12.523 276 HA SER 95 HA SER 95 13.582 3.266 14.286 277 HB2 SER 95 2HB SER 95 10.788 4.095 13.430 278 HB3 SER 95 1HB SER 95 11.189 3.094 14.828 279 HG SER 95 HG SER 95 12.606 5.404 14.812 280 H LYS 96 H LYS 96 14.425 1.571 13.356 281 HA LYS 96 HA LYS 96 13.821 0.302 10.960 282 HB2 LYS 96 2HB LYS 96 15.284 -1.521 11.854 283 HB3 LYS 96 1HB LYS 96 15.962 0.088 12.052 284 HG2 LYS 96 2HG LYS 96 15.165 0.067 14.444 285 HG3 LYS 96 1HG LYS 96 14.701 -1.619 14.227 286 HD2 LYS 96 2HD LYS 96 17.520 -0.488 13.979 287 HD3 LYS 96 1HD LYS 96 16.895 -1.419 15.337 288 HE2 LYS 96 2HE LYS 96 17.240 -2.456 12.502 289 HE3 LYS 96 1HE LYS 96 18.303 -2.806 13.863 290 HZ1 LYS 96 3HZ LYS 96 16.775 -4.601 13.471 291 HZ2 LYS 96 1HZ LYS 96 15.446 -3.573 13.649 292 HZ3 LYS 96 2HZ LYS 96 16.449 -3.895 14.968 293 H SER 97 H SER 97 12.474 -0.353 14.194 294 HA SER 97 HA SER 97 11.151 -2.778 13.593 295 HB2 SER 97 2HB SER 97 10.350 -0.687 15.660 296 HB3 SER 97 1HB SER 97 9.781 -2.357 15.619 297 HG SER 97 HG SER 97 11.465 -2.267 17.038 298 H ALA 98 H ALA 98 10.079 0.601 13.337 299 HA ALA 98 HA ALA 98 7.475 0.168 12.333 300 HB1 ALA 98 3HB ALA 98 9.347 2.519 11.918 301 HB2 ALA 98 1HB ALA 98 8.227 2.304 13.263 302 HB3 ALA 98 2HB ALA 98 7.602 2.516 11.627 303 H MET 99 H MET 99 10.658 0.478 10.754 304 HA MET 99 HA MET 99 9.792 0.692 8.081 305 HB2 MET 99 2HB MET 99 12.096 1.272 8.700 306 HB3 MET 99 1HB MET 99 12.425 -0.383 9.198 307 HG2 MET 99 2HG MET 99 12.029 -1.090 6.790 308 HG3 MET 99 1HG MET 99 11.931 0.620 6.382 309 HE1 MET 99 3HE MET 99 15.785 -1.270 8.114 310 HE2 MET 99 1HE MET 99 14.281 -2.173 7.948 311 HE3 MET 99 2HE MET 99 14.393 -0.853 9.115 312 H GLU 100 H GLU 100 10.852 -2.213 9.928 313 HA GLU 100 HA GLU 100 10.492 -4.062 7.794 314 HB2 GLU 100 2HB GLU 100 10.764 -5.819 9.498 315 HB3 GLU 100 1HB GLU 100 11.970 -4.551 9.686 316 HG2 GLU 100 2HG GLU 100 10.692 -3.585 11.548 317 HG3 GLU 100 1HG GLU 100 9.460 -4.827 11.357 318 H ARG 101 H ARG 101 8.359 -2.869 10.300 319 HA ARG 101 HA ARG 101 6.085 -4.506 9.793 320 HB2 ARG 101 2HB ARG 101 5.998 -3.401 11.858 321 HB3 ARG 101 1HB ARG 101 6.675 -1.909 11.223 322 HG2 ARG 101 2HG ARG 101 4.431 -1.474 11.874 323 HG3 ARG 101 1HG ARG 101 4.489 -1.451 10.116 324 HD2 ARG 101 2HD ARG 101 3.579 -3.827 10.158 325 HD3 ARG 101 1HD ARG 101 3.333 -3.619 11.904 326 HE ARG 101 HE ARG 101 2.215 -1.432 10.563 327 HH11 ARG 101 1HH1 ARG 101 1.520 -4.860 10.929 328 HH12 ARG 101 2HH1 ARG 101 -0.182 -4.653 10.668 329 HH21 ARG 101 1HH2 ARG 101 0.044 -1.165 10.247 330 HH22 ARG 101 2HH2 ARG 101 -1.025 -2.533 10.276 331 H LEU 102 H LEU 102 7.269 -1.447 8.437 332 HA LEU 102 HA LEU 102 4.967 -0.735 6.934 333 HB2 LEU 102 2HB LEU 102 6.914 0.791 7.660 334 HB3 LEU 102 1HB LEU 102 7.851 0.092 6.350 335 HG LEU 102 HG LEU 102 6.171 0.971 4.710 336 HD11 LEU 102 1HD1 LEU 102 4.207 1.002 6.141 337 HD12 LEU 102 2HD1 LEU 102 4.493 2.581 5.424 338 HD13 LEU 102 3HD1 LEU 102 4.910 2.299 7.116 339 HD21 LEU 102 3HD2 LEU 102 8.178 2.307 5.231 340 HD22 LEU 102 1HD2 LEU 102 7.293 3.135 6.514 341 HD23 LEU 102 2HD2 LEU 102 6.794 3.318 4.828 342 H LYS 103 H LYS 103 7.980 -2.457 6.161 343 HA LYS 103 HA LYS 103 7.519 -3.112 3.467 344 HB2 LYS 103 2HB LYS 103 9.050 -4.724 5.569 345 HB3 LYS 103 1HB LYS 103 9.199 -4.925 3.828 346 HG2 LYS 103 2HG LYS 103 9.954 -2.422 5.354 347 HG3 LYS 103 1HG LYS 103 11.086 -3.676 4.881 348 HD2 LYS 103 2HD LYS 103 9.426 -2.244 2.789 349 HD3 LYS 103 1HD LYS 103 10.879 -1.496 3.445 350 HE2 LYS 103 2HE LYS 103 11.390 -2.631 1.356 351 HE3 LYS 103 1HE LYS 103 12.217 -3.431 2.691 352 HZ1 LYS 103 3HZ LYS 103 10.637 -5.189 2.629 353 HZ2 LYS 103 1HZ LYS 103 11.172 -4.943 1.046 354 HZ3 LYS 103 2HZ LYS 103 9.661 -4.373 1.524 355 H ARG 104 H ARG 104 6.722 -4.823 6.493 356 HA ARG 104 HA ARG 104 5.620 -7.184 5.456 357 HB2 ARG 104 2HB ARG 104 6.262 -6.900 7.833 358 HB3 ARG 104 1HB ARG 104 4.973 -5.725 8.060 359 HG2 ARG 104 2HG ARG 104 3.300 -7.529 7.583 360 HG3 ARG 104 1HG ARG 104 4.625 -8.684 7.461 361 HD2 ARG 104 2HD ARG 104 5.216 -8.239 9.830 362 HD3 ARG 104 1HD ARG 104 3.879 -7.082 9.933 363 HE ARG 104 HE ARG 104 3.161 -9.777 9.097 364 HH11 ARG 104 1HH1 ARG 104 3.365 -7.583 11.845 365 HH12 ARG 104 2HH1 ARG 104 2.266 -8.517 12.812 366 HH21 ARG 104 1HH2 ARG 104 1.777 -11.005 10.402 367 HH22 ARG 104 2HH2 ARG 104 1.373 -10.447 11.995 368 H GLY 105 H GLY 105 4.232 -3.985 5.989 369 HA2 GLY 105 2HA GLY 105 1.523 -4.394 5.594 370 HA3 GLY 105 1HA GLY 105 2.400 -2.953 5.115 371 H ILE 106 H ILE 106 4.079 -3.983 3.130 372 HA ILE 106 HA ILE 106 2.309 -4.212 0.887 373 HB ILE 106 HB ILE 106 5.330 -4.244 1.159 374 HG12 ILE 106 2HG1 ILE 106 5.017 -2.176 -0.396 375 HG13 ILE 106 1HG1 ILE 106 3.311 -2.289 -0.009 376 HG21 ILE 106 1HG2 ILE 106 3.885 -4.655 -1.481 377 HG22 ILE 106 2HG2 ILE 106 4.946 -5.810 -0.678 378 HG23 ILE 106 3HG2 ILE 106 5.602 -4.296 -1.299 379 HD11 ILE 106 3HD1 ILE 106 4.408 -0.623 1.337 380 HD12 ILE 106 1HD1 ILE 106 5.568 -1.816 1.924 381 HD13 ILE 106 2HD1 ILE 106 3.865 -1.953 2.361 382 H ILE 107 H ILE 107 4.252 -6.582 2.723 383 HA ILE 107 HA ILE 107 3.903 -8.858 1.083 384 HB ILE 107 HB ILE 107 4.355 -8.532 4.069 385 HG12 ILE 107 2HG1 ILE 107 6.446 -9.890 3.543 386 HG13 ILE 107 1HG1 ILE 107 5.977 -9.863 1.851 387 HG21 ILE 107 1HG2 ILE 107 2.826 -10.453 3.993 388 HG22 ILE 107 2HG2 ILE 107 4.455 -10.984 4.422 389 HG23 ILE 107 3HG2 ILE 107 3.846 -11.240 2.785 390 HD11 ILE 107 3HD1 ILE 107 6.235 -7.440 1.816 391 HD12 ILE 107 1HD1 ILE 107 7.712 -8.246 2.346 392 HD13 ILE 107 2HD1 ILE 107 6.667 -7.459 3.529 393 H HIS 108 H HIS 108 1.853 -7.429 3.563 394 HA HIS 108 HA HIS 108 -0.261 -9.354 3.470 395 HB2 HIS 108 2HB HIS 108 0.263 -7.834 5.439 396 HB3 HIS 108 1HB HIS 108 -0.368 -6.479 4.514 397 HD1 HIS 108 HD1 HIS 108 -1.612 -7.170 7.198 398 HD2 HIS 108 HD2 HIS 108 -3.001 -8.728 3.619 399 HE1 HIS 108 HE1 HIS 108 -4.004 -7.809 7.616 400 HE2 HIS 108 HE2 HIS 108 -4.861 -8.530 5.384 401 H ALA 109 H ALA 109 0.224 -6.108 2.093 402 HA ALA 109 HA ALA 109 -2.419 -5.732 1.166 403 HB1 ALA 109 3HB ALA 109 0.126 -4.272 0.379 404 HB2 ALA 109 1HB ALA 109 -0.933 -3.868 1.731 405 HB3 ALA 109 2HB ALA 109 -1.522 -3.712 0.077 406 H ARG 110 H ARG 110 0.565 -6.710 -0.536 407 HA ARG 110 HA ARG 110 -0.609 -6.716 -3.154 408 HB2 ARG 110 2HB ARG 110 1.822 -6.373 -2.828 409 HB3 ARG 110 1HB ARG 110 1.986 -8.000 -2.169 410 HG2 ARG 110 2HG ARG 110 1.448 -8.996 -4.305 411 HG3 ARG 110 1HG ARG 110 1.003 -7.431 -4.983 412 HD2 ARG 110 2HD ARG 110 3.345 -6.691 -4.855 413 HD3 ARG 110 1HD ARG 110 3.793 -8.227 -4.106 414 HE ARG 110 HE ARG 110 3.371 -9.343 -6.146 415 HH11 ARG 110 1HH1 ARG 110 3.174 -5.847 -6.519 416 HH12 ARG 110 2HH1 ARG 110 3.358 -5.912 -8.234 417 HH21 ARG 110 1HH2 ARG 110 3.547 -9.391 -8.378 418 HH22 ARG 110 2HH2 ARG 110 3.568 -7.921 -9.286 419 H ALA 111 H ALA 111 -0.167 -9.100 -0.593 420 HA ALA 111 HA ALA 111 -0.780 -11.428 -2.105 421 HB1 ALA 111 3HB ALA 111 0.353 -11.569 0.070 422 HB2 ALA 111 1HB ALA 111 -1.126 -12.533 0.065 423 HB3 ALA 111 2HB ALA 111 -1.094 -10.964 0.878 424 H LEU 112 H LEU 112 -2.700 -9.041 -0.370 425 HA LEU 112 HA LEU 112 -5.243 -10.300 -0.559 426 HB2 LEU 112 2HB LEU 112 -4.514 -7.346 -0.347 427 HB3 LEU 112 1HB LEU 112 -6.164 -7.947 -0.252 428 HG LEU 112 HG LEU 112 -3.945 -8.685 1.696 429 HD11 LEU 112 1HD1 LEU 112 -5.092 -7.250 3.310 430 HD12 LEU 112 2HD1 LEU 112 -6.251 -6.760 2.071 431 HD13 LEU 112 3HD1 LEU 112 -4.546 -6.333 1.908 432 HD21 LEU 112 3HD2 LEU 112 -5.607 -10.475 1.513 433 HD22 LEU 112 1HD2 LEU 112 -6.918 -9.325 1.797 434 HD23 LEU 112 2HD2 LEU 112 -5.743 -9.666 3.071 435 H VAL 113 H VAL 113 -3.587 -7.913 -2.669 436 HA VAL 113 HA VAL 113 -5.706 -7.487 -4.486 437 HB VAL 113 HB VAL 113 -2.725 -7.205 -5.110 438 HG11 VAL 113 1HG1 VAL 113 -4.099 -7.132 -7.145 439 HG12 VAL 113 2HG1 VAL 113 -3.473 -5.521 -6.794 440 HG13 VAL 113 3HG1 VAL 113 -5.155 -5.911 -6.426 441 HG21 VAL 113 3HG2 VAL 113 -4.619 -5.118 -3.970 442 HG22 VAL 113 1HG2 VAL 113 -2.942 -4.835 -4.452 443 HG23 VAL 113 2HG2 VAL 113 -3.306 -5.908 -3.099 444 H ARG 114 H ARG 114 -2.966 -9.779 -4.569 445 HA ARG 114 HA ARG 114 -3.319 -10.642 -7.242 446 HB2 ARG 114 2HB ARG 114 -1.657 -12.387 -6.743 447 HB3 ARG 114 1HB ARG 114 -1.158 -10.833 -6.098 448 HG2 ARG 114 2HG ARG 114 -0.573 -12.180 -4.331 449 HG3 ARG 114 1HG ARG 114 -2.211 -11.768 -3.853 450 HD2 ARG 114 2HD ARG 114 -2.828 -14.037 -5.094 451 HD3 ARG 114 1HD ARG 114 -1.116 -14.390 -4.866 452 HE ARG 114 HE ARG 114 -2.528 -13.574 -2.459 453 HH11 ARG 114 1HH1 ARG 114 -1.590 -16.359 -4.430 454 HH12 ARG 114 2HH1 ARG 114 -1.792 -17.485 -3.126 455 HH21 ARG 114 1HH2 ARG 114 -2.892 -15.093 -0.820 456 HH22 ARG 114 2HH2 ARG 114 -2.526 -16.771 -1.091 457 H GLU 115 H GLU 115 -4.454 -12.050 -4.168 458 HA GLU 115 HA GLU 115 -5.676 -14.336 -5.450 459 HB2 GLU 115 2HB GLU 115 -6.536 -14.917 -3.213 460 HB3 GLU 115 1HB GLU 115 -4.819 -14.543 -3.187 461 HG2 GLU 115 2HG GLU 115 -5.429 -12.230 -2.355 462 HG3 GLU 115 1HG GLU 115 -7.083 -12.810 -2.172 463 H CYS 116 H CYS 116 -6.789 -11.162 -4.357 464 HA CYS 116 HA CYS 116 -9.568 -11.707 -4.845 465 HB2 CYS 116 2HB CYS 116 -8.089 -9.092 -4.437 466 HB3 CYS 116 1HB CYS 116 -9.843 -9.222 -4.579 467 HG CYS 116 HG CYS 116 -10.044 -10.913 -2.290 468 H LEU 117 H LEU 117 -6.866 -10.722 -6.888 469 HA LEU 117 HA LEU 117 -8.194 -9.734 -9.150 470 HB2 LEU 117 2HB LEU 117 -5.689 -11.432 -8.871 471 HB3 LEU 117 1HB LEU 117 -6.299 -11.047 -10.467 472 HG LEU 117 HG LEU 117 -5.455 -8.948 -8.427 473 HD11 LEU 117 1HD1 LEU 117 -3.913 -10.001 -10.827 474 HD12 LEU 117 2HD1 LEU 117 -3.521 -10.293 -9.130 475 HD13 LEU 117 3HD1 LEU 117 -3.425 -8.660 -9.783 476 HD21 LEU 117 3HD2 LEU 117 -7.113 -8.118 -10.046 477 HD22 LEU 117 1HD2 LEU 117 -6.106 -8.678 -11.385 478 HD23 LEU 117 2HD2 LEU 117 -5.538 -7.386 -10.324 479 H ALA 118 H ALA 118 -7.998 -13.005 -7.847 480 HA ALA 118 HA ALA 118 -8.966 -14.457 -10.073 481 HB1 ALA 118 3HB ALA 118 -9.103 -15.176 -7.131 482 HB2 ALA 118 1HB ALA 118 -7.768 -15.532 -8.225 483 HB3 ALA 118 2HB ALA 118 -9.339 -16.291 -8.479 484 H GLU 119 H GLU 119 -10.812 -13.534 -7.041 485 HA GLU 119 HA GLU 119 -13.318 -14.184 -8.104 486 HB2 GLU 119 2HB GLU 119 -14.261 -13.013 -6.184 487 HB3 GLU 119 1HB GLU 119 -12.853 -13.945 -5.696 488 HG2 GLU 119 2HG GLU 119 -11.524 -11.744 -5.901 489 HG3 GLU 119 1HG GLU 119 -13.092 -10.947 -5.992 490 H THR 120 H THR 120 -11.399 -11.309 -8.570 491 HA THR 120 HA THR 120 -13.595 -9.668 -9.532 492 HB THR 120 HB THR 120 -10.582 -9.135 -9.717 493 HG1 THR 120 HG1 THR 120 -11.659 -9.402 -7.543 494 HG21 THR 120 3HG2 THR 120 -11.927 -7.673 -11.241 495 HG22 THR 120 1HG2 THR 120 -11.206 -6.749 -9.919 496 HG23 THR 120 2HG2 THR 120 -12.918 -7.173 -9.870 497 H GLU 121 H GLU 121 -11.175 -11.854 -10.927 498 HA GLU 121 HA GLU 121 -11.678 -10.969 -13.674 499 HB2 GLU 121 2HB GLU 121 -10.022 -12.529 -14.417 500 HB3 GLU 121 1HB GLU 121 -9.408 -11.842 -12.921 501 HG2 GLU 121 2HG GLU 121 -10.216 -13.917 -11.737 502 HG3 GLU 121 1HG GLU 121 -10.595 -14.600 -13.310 503 H ARG 122 H ARG 122 -12.745 -13.584 -11.534 504 HA ARG 122 HA ARG 122 -14.062 -15.096 -13.648 505 HB2 ARG 122 2HB ARG 122 -14.121 -15.417 -10.617 506 HB3 ARG 122 1HB ARG 122 -14.935 -16.498 -11.745 507 HG2 ARG 122 2HG ARG 122 -12.736 -17.103 -12.742 508 HG3 ARG 122 1HG ARG 122 -11.935 -16.043 -11.575 509 HD2 ARG 122 2HD ARG 122 -11.792 -18.347 -10.810 510 HD3 ARG 122 1HD ARG 122 -12.839 -17.432 -9.725 511 HE ARG 122 HE ARG 122 -13.914 -19.200 -11.857 512 HH11 ARG 122 1HH1 ARG 122 -13.955 -18.169 -8.493 513 HH12 ARG 122 2HH1 ARG 122 -15.279 -19.206 -8.072 514 HH21 ARG 122 1HH2 ARG 122 -15.603 -20.579 -11.282 515 HH22 ARG 122 2HH2 ARG 122 -16.209 -20.568 -9.656 516 H ASN 123 H ASN 123 -14.871 -12.874 -11.049 517 HA ASN 123 HA ASN 123 -17.611 -12.534 -12.126 518 HB2 ASN 123 2HB ASN 123 -16.679 -11.959 -9.262 519 HB3 ASN 123 1HB ASN 123 -18.321 -11.862 -9.872 520 HD21 ASN 123 1HD2 ASN 123 -15.776 -14.000 -8.839 521 HD22 ASN 123 2HD2 ASN 123 -16.752 -15.417 -8.687 522 H ALA 124 H ALA 124 -17.044 -10.925 -13.589 523 HA ALA 124 HA ALA 124 -16.126 -8.323 -12.481 524 HB1 ALA 124 3HB ALA 124 -15.505 -9.434 -15.249 525 HB2 ALA 124 1HB ALA 124 -14.356 -9.314 -13.915 526 HB3 ALA 124 2HB ALA 124 -15.027 -7.851 -14.633 527 H ARG 125 H ARG 125 -17.789 -6.913 -12.571 528 HA ARG 125 HA ARG 125 -20.028 -7.362 -14.381 529 HB2 ARG 125 2HB ARG 125 -20.332 -6.716 -11.942 530 HB3 ARG 125 1HB ARG 125 -19.683 -5.127 -12.339 531 HG2 ARG 125 2HG ARG 125 -21.557 -4.661 -13.821 532 HG3 ARG 125 1HG ARG 125 -22.147 -6.317 -13.661 533 HD2 ARG 125 2HD ARG 125 -22.116 -4.156 -11.541 534 HD3 ARG 125 1HD ARG 125 -23.519 -4.966 -12.247 535 HE ARG 125 HE ARG 125 -21.860 -5.897 -10.098 536 HH11 ARG 125 1HH1 ARG 125 -24.038 -7.049 -12.630 537 HH12 ARG 125 2HH1 ARG 125 -24.351 -8.542 -11.804 538 HH21 ARG 125 1HH2 ARG 125 -22.185 -7.891 -9.149 539 HH22 ARG 125 2HH2 ARG 125 -23.303 -9.001 -9.853 540 H THR 126 H THR 126 -18.976 -6.988 -16.334 541 HA THR 126 HA THR 126 -17.628 -4.495 -16.938 542 HB THR 126 HB THR 126 -17.568 -5.473 -19.307 543 HG1 THR 126 HG1 THR 126 -18.491 -7.375 -19.704 544 HG21 THR 126 3HG2 THR 126 -15.692 -5.812 -17.744 545 HG22 THR 126 1HG2 THR 126 -15.935 -7.226 -18.770 546 HG23 THR 126 2HG2 THR 126 -16.485 -7.251 -17.092 547 H1 SER 58 1H SER 58 -5.454 -24.530 -6.893 548 H2 SER 58 2H SER 58 -7.081 -24.129 -6.710 549 H3 SER 58 3H SER 58 -5.951 -22.927 -7.066 550 HA SER 58 HA SER 58 -6.694 -25.191 -8.814 551 HB2 SER 58 2HB SER 58 -7.374 -22.226 -9.029 552 HB3 SER 58 1HB SER 58 -7.803 -23.470 -10.207 553 HG SER 58 HG SER 58 -9.349 -22.765 -8.400 554 H HIS 59 H HIS 59 -4.634 -25.791 -9.376 555 HA HIS 59 HA HIS 59 -2.486 -23.971 -9.948 556 HB2 HIS 59 2HB HIS 59 -2.144 -26.274 -9.020 557 HB3 HIS 59 1HB HIS 59 -2.729 -26.977 -10.518 558 HD1 HIS 59 HD1 HIS 59 -1.124 -26.721 -12.630 559 HD2 HIS 59 HD2 HIS 59 0.545 -25.606 -8.986 560 HE1 HIS 59 HE1 HIS 59 1.362 -26.657 -13.005 561 HE2 HIS 59 HE2 HIS 59 2.332 -25.945 -10.800 562 H MET 60 H MET 60 -3.577 -22.654 -11.515 563 HA MET 60 HA MET 60 -3.346 -23.519 -14.313 564 HB2 MET 60 2HB MET 60 -5.837 -22.211 -13.103 565 HB3 MET 60 1HB MET 60 -5.526 -22.284 -14.831 566 HG2 MET 60 2HG MET 60 -5.560 -24.778 -14.678 567 HG3 MET 60 1HG MET 60 -6.016 -24.620 -12.979 568 HE1 MET 60 3HE MET 60 -9.317 -25.793 -14.877 569 HE2 MET 60 1HE MET 60 -8.159 -26.220 -13.616 570 HE3 MET 60 2HE MET 60 -7.662 -26.223 -15.309 571 H ALA 61 H ALA 61 -3.057 -21.688 -15.748 572 HA ALA 61 HA ALA 61 -1.771 -19.394 -14.533 573 HB1 ALA 61 3HB ALA 61 -2.264 -20.002 -17.477 574 HB2 ALA 61 1HB ALA 61 -0.806 -20.424 -16.575 575 HB3 ALA 61 2HB ALA 61 -1.219 -18.730 -16.844 576 H MET 62 H MET 62 -3.577 -18.524 -13.409 577 HA MET 62 HA MET 62 -5.799 -17.310 -14.899 578 HB2 MET 62 2HB MET 62 -5.158 -17.473 -11.918 579 HB3 MET 62 1HB MET 62 -6.588 -16.681 -12.571 580 HG2 MET 62 2HG MET 62 -7.347 -18.836 -13.505 581 HG3 MET 62 1HG MET 62 -5.913 -19.622 -12.848 582 HE1 MET 62 3HE MET 62 -5.558 -18.253 -9.984 583 HE2 MET 62 1HE MET 62 -5.483 -20.007 -10.201 584 HE3 MET 62 2HE MET 62 -6.531 -19.314 -8.967 585 H LYS 63 H LYS 63 -5.895 -15.066 -12.868 586 HA LYS 63 HA LYS 63 -5.290 -12.973 -12.531 587 HB2 LYS 63 2HB LYS 63 -2.945 -13.596 -12.127 588 HB3 LYS 63 1HB LYS 63 -2.629 -13.626 -13.860 589 HG2 LYS 63 2HG LYS 63 -3.032 -11.211 -14.006 590 HG3 LYS 63 1HG LYS 63 -3.425 -11.148 -12.285 591 HD2 LYS 63 2HD LYS 63 -1.117 -11.749 -11.703 592 HD3 LYS 63 1HD LYS 63 -0.705 -11.956 -13.412 593 HE2 LYS 63 2HE LYS 63 -1.610 -9.364 -12.123 594 HE3 LYS 63 1HE LYS 63 0.061 -9.773 -12.516 595 HZ1 LYS 63 3HZ LYS 63 -0.973 -8.351 -14.201 596 HZ2 LYS 63 1HZ LYS 63 -2.158 -9.516 -14.486 597 HZ3 LYS 63 2HZ LYS 63 -0.546 -9.844 -14.864 598 HA PRO 64 HA PRO 64 -8.147 -11.932 -15.597 599 HB2 PRO 64 2HB PRO 64 -6.696 -9.346 -16.035 600 HB3 PRO 64 1HB PRO 64 -8.383 -9.627 -15.568 601 HG2 PRO 64 2HG PRO 64 -6.124 -9.099 -13.836 602 HG3 PRO 64 1HG PRO 64 -7.824 -9.305 -13.380 603 HD2 PRO 64 2HD PRO 64 -5.897 -11.075 -12.631 604 HD3 PRO 64 1HD PRO 64 -7.583 -11.568 -12.923 605 HA PRO 65 HA PRO 65 -5.338 -13.369 -19.018 606 HB2 PRO 65 2HB PRO 65 -7.693 -15.048 -19.788 607 HB3 PRO 65 1HB PRO 65 -6.035 -15.540 -19.386 608 HG2 PRO 65 2HG PRO 65 -8.054 -16.059 -17.706 609 HG3 PRO 65 1HG PRO 65 -6.441 -15.603 -17.102 610 HD2 PRO 65 2HD PRO 65 -8.882 -13.842 -17.430 611 HD3 PRO 65 1HD PRO 65 -7.792 -14.002 -16.029 612 H GLY 66 H GLY 66 -8.653 -12.257 -19.166 613 HA2 GLY 66 2HA GLY 66 -8.359 -11.311 -21.962 614 HA3 GLY 66 1HA GLY 66 -9.885 -11.712 -21.187 615 H ALA 67 H ALA 67 -7.137 -9.808 -19.982 616 HA ALA 67 HA ALA 67 -8.856 -7.737 -18.954 617 HB1 ALA 67 3HB ALA 67 -6.834 -8.427 -17.749 618 HB2 ALA 67 1HB ALA 67 -6.756 -6.714 -18.157 619 HB3 ALA 67 2HB ALA 67 -5.812 -7.888 -19.082 620 H GLN 68 H GLN 68 -9.668 -6.188 -20.178 621 HA GLN 68 HA GLN 68 -8.094 -4.445 -21.830 622 HB2 GLN 68 2HB GLN 68 -8.547 -6.230 -23.493 623 HB3 GLN 68 1HB GLN 68 -10.268 -6.140 -23.159 624 HG2 GLN 68 2HG GLN 68 -10.354 -3.864 -24.092 625 HG3 GLN 68 1HG GLN 68 -8.621 -3.905 -24.392 626 HE21 GLN 68 1HE2 GLN 68 -10.809 -6.621 -24.996 627 HE22 GLN 68 2HE2 GLN 68 -10.684 -6.564 -26.715 628 H GLY 69 H GLY 69 -11.253 -5.483 -20.604 629 HA2 GLY 69 2HA GLY 69 -12.324 -2.715 -20.743 630 HA3 GLY 69 1HA GLY 69 -13.285 -4.184 -20.717 631 H SER 70 H SER 70 -11.363 -5.181 -18.498 632 HA SER 70 HA SER 70 -12.375 -3.635 -16.205 633 HB2 SER 70 2HB SER 70 -13.322 -5.726 -15.169 634 HB3 SER 70 1HB SER 70 -14.187 -5.262 -16.623 635 HG SER 70 HG SER 70 -12.216 -7.281 -16.377 636 H GLN 71 H GLN 71 -11.650 -4.808 -14.117 637 HA GLN 71 HA GLN 71 -9.930 -4.974 -12.674 638 HB2 GLN 71 2HB GLN 71 -8.624 -6.846 -14.702 639 HB3 GLN 71 1HB GLN 71 -8.222 -6.704 -12.996 640 HG2 GLN 71 2HG GLN 71 -9.510 -8.624 -12.987 641 HG3 GLN 71 1HG GLN 71 -10.727 -7.410 -12.598 642 HE21 GLN 71 1HE2 GLN 71 -12.449 -8.502 -13.413 643 HE22 GLN 71 2HE2 GLN 71 -12.660 -8.897 -15.079 644 H SER 72 H SER 72 -9.792 -2.923 -14.863 645 HA SER 72 HA SER 72 -7.104 -2.712 -15.821 646 HB2 SER 72 2HB SER 72 -9.280 -0.572 -15.781 647 HB3 SER 72 1HB SER 72 -7.884 -0.645 -16.858 648 HG SER 72 HG SER 72 -8.763 -2.411 -17.865 649 H THR 73 H THR 73 -9.046 -0.778 -13.540 650 HA THR 73 HA THR 73 -6.832 0.775 -12.581 651 HB THR 73 HB THR 73 -9.153 1.686 -12.652 652 HG1 THR 73 HG1 THR 73 -9.027 2.310 -10.188 653 HG21 THR 73 3HG2 THR 73 -10.813 1.116 -10.912 654 HG22 THR 73 1HG2 THR 73 -9.754 -0.163 -10.308 655 HG23 THR 73 2HG2 THR 73 -10.456 -0.288 -11.922 656 H TYR 74 H TYR 74 -8.219 -2.277 -11.721 657 HA TYR 74 HA TYR 74 -7.333 -2.303 -8.975 658 HB2 TYR 74 2HB TYR 74 -9.413 -3.484 -9.717 659 HB3 TYR 74 1HB TYR 74 -8.420 -4.607 -10.648 660 HD1 TYR 74 HD1 TYR 74 -7.982 -3.165 -7.220 661 HD2 TYR 74 HD2 TYR 74 -8.541 -6.729 -9.515 662 HE1 TYR 74 HE1 TYR 74 -7.671 -4.503 -5.208 663 HE2 TYR 74 HE2 TYR 74 -8.233 -8.074 -7.467 664 HH TYR 74 HH TYR 74 -8.320 -6.749 -4.384 665 H THR 75 H THR 75 -6.111 -3.633 -12.048 666 HA THR 75 HA THR 75 -3.987 -5.159 -10.777 667 HB THR 75 HB THR 75 -4.403 -4.517 -13.738 668 HG1 THR 75 HG1 THR 75 -6.063 -5.773 -12.458 669 HG21 THR 75 3HG2 THR 75 -2.086 -5.291 -13.299 670 HG22 THR 75 1HG2 THR 75 -3.000 -6.546 -14.142 671 HG23 THR 75 2HG2 THR 75 -2.706 -6.680 -12.406 672 H ASP 76 H ASP 76 -4.418 -1.992 -12.262 673 HA ASP 76 HA ASP 76 -1.836 -0.947 -12.235 674 HB2 ASP 76 2HB ASP 76 -3.811 0.322 -13.075 675 HB3 ASP 76 1HB ASP 76 -4.434 0.463 -11.433 676 H LEU 77 H LEU 77 -4.163 -1.383 -9.596 677 HA LEU 77 HA LEU 77 -2.759 -0.171 -7.486 678 HB2 LEU 77 2HB LEU 77 -5.123 -0.672 -7.326 679 HB3 LEU 77 1HB LEU 77 -4.820 -2.392 -7.490 680 HG LEU 77 HG LEU 77 -3.726 -2.429 -5.252 681 HD11 LEU 77 1HD1 LEU 77 -4.447 0.512 -5.060 682 HD12 LEU 77 2HD1 LEU 77 -2.820 -0.164 -5.168 683 HD13 LEU 77 3HD1 LEU 77 -3.813 -0.495 -3.753 684 HD21 LEU 77 3HD2 LEU 77 -5.736 -2.067 -3.890 685 HD22 LEU 77 1HD2 LEU 77 -6.112 -2.906 -5.395 686 HD23 LEU 77 2HD2 LEU 77 -6.493 -1.189 -5.222 687 H LEU 78 H LEU 78 -2.685 -3.561 -8.659 688 HA LEU 78 HA LEU 78 -1.149 -4.793 -6.700 689 HB2 LEU 78 2HB LEU 78 -2.249 -5.950 -8.637 690 HB3 LEU 78 1HB LEU 78 -1.030 -5.284 -9.708 691 HG LEU 78 HG LEU 78 0.724 -6.609 -8.428 692 HD11 LEU 78 1HD1 LEU 78 -0.454 -6.905 -6.316 693 HD12 LEU 78 2HD1 LEU 78 0.014 -8.461 -6.993 694 HD13 LEU 78 3HD1 LEU 78 -1.665 -7.922 -7.103 695 HD21 LEU 78 3HD2 LEU 78 -1.463 -8.258 -9.736 696 HD22 LEU 78 1HD2 LEU 78 0.204 -8.773 -9.458 697 HD23 LEU 78 2HD2 LEU 78 -0.132 -7.443 -10.562 698 H SER 79 H SER 79 -0.115 -2.901 -9.502 699 HA SER 79 HA SER 79 2.684 -3.113 -9.207 700 HB2 SER 79 2HB SER 79 1.096 -0.843 -10.474 701 HB3 SER 79 1HB SER 79 2.791 -1.247 -10.786 702 HG SER 79 HG SER 79 0.626 -2.215 -11.956 703 H VAL 80 H VAL 80 0.342 -0.704 -7.994 704 HA VAL 80 HA VAL 80 2.187 1.212 -7.047 705 HB VAL 80 HB VAL 80 -0.657 0.724 -6.019 706 HG11 VAL 80 1HG1 VAL 80 0.611 2.214 -4.502 707 HG12 VAL 80 2HG1 VAL 80 -0.644 3.113 -5.353 708 HG13 VAL 80 3HG1 VAL 80 1.040 3.259 -5.862 709 HG21 VAL 80 3HG2 VAL 80 -1.350 2.447 -7.662 710 HG22 VAL 80 1HG2 VAL 80 -0.652 1.029 -8.443 711 HG23 VAL 80 2HG2 VAL 80 0.299 2.504 -8.288 712 H ILE 81 H ILE 81 0.576 -1.539 -5.418 713 HA ILE 81 HA ILE 81 1.484 -1.233 -2.828 714 HB ILE 81 HB ILE 81 1.293 -3.951 -4.208 715 HG12 ILE 81 2HG1 ILE 81 -0.829 -2.738 -4.612 716 HG13 ILE 81 1HG1 ILE 81 -1.088 -4.059 -3.488 717 HG21 ILE 81 1HG2 ILE 81 0.732 -4.747 -1.910 718 HG22 ILE 81 2HG2 ILE 81 1.015 -3.119 -1.295 719 HG23 ILE 81 3HG2 ILE 81 2.340 -4.031 -2.013 720 HD11 ILE 81 3HD1 ILE 81 -1.105 -2.447 -1.634 721 HD12 ILE 81 1HD1 ILE 81 -2.344 -2.111 -2.843 722 HD13 ILE 81 2HD1 ILE 81 -0.880 -1.132 -2.793 723 H GLU 82 H GLU 82 3.020 -2.951 -5.507 724 HA GLU 82 HA GLU 82 5.362 -3.836 -4.259 725 HB2 GLU 82 2HB GLU 82 4.529 -4.734 -6.376 726 HB3 GLU 82 1HB GLU 82 4.787 -3.190 -7.175 727 HG2 GLU 82 2HG GLU 82 7.220 -3.438 -6.903 728 HG3 GLU 82 1HG GLU 82 6.981 -4.960 -6.045 729 H GLU 83 H GLU 83 4.659 -0.825 -6.031 730 HA GLU 83 HA GLU 83 7.277 0.218 -6.135 731 HB2 GLU 83 2HB GLU 83 4.579 1.641 -6.225 732 HB3 GLU 83 1HB GLU 83 6.116 2.451 -6.499 733 HG2 GLU 83 2HG GLU 83 4.882 0.276 -8.192 734 HG3 GLU 83 1HG GLU 83 5.097 1.971 -8.622 735 H MET 84 H MET 84 4.638 0.707 -3.749 736 HA MET 84 HA MET 84 5.954 2.477 -2.049 737 HB2 MET 84 2HB MET 84 3.875 0.345 -1.377 738 HB3 MET 84 1HB MET 84 4.393 1.606 -0.261 739 HG2 MET 84 2HG MET 84 3.600 3.318 -1.864 740 HG3 MET 84 1HG MET 84 3.006 2.034 -2.914 741 HE1 MET 84 3HE MET 84 0.074 0.535 -0.737 742 HE2 MET 84 1HE MET 84 1.723 -0.080 -0.828 743 HE3 MET 84 2HE MET 84 0.899 0.466 -2.292 744 H GLY 85 H GLY 85 5.900 -1.104 -2.002 745 HA2 GLY 85 2HA GLY 85 7.506 -1.598 0.233 746 HA3 GLY 85 1HA GLY 85 7.289 -2.686 -1.116 747 H LYS 86 H LYS 86 8.451 -0.598 -2.944 748 HA LYS 86 HA LYS 86 11.259 -1.346 -2.706 749 HB2 LYS 86 2HB LYS 86 9.723 0.258 -4.806 750 HB3 LYS 86 1HB LYS 86 11.431 -0.162 -4.932 751 HG2 LYS 86 2HG LYS 86 10.964 -2.483 -5.205 752 HG3 LYS 86 1HG LYS 86 9.296 -2.293 -4.653 753 HD2 LYS 86 2HD LYS 86 9.362 -2.608 -7.091 754 HD3 LYS 86 1HD LYS 86 8.747 -1.007 -6.685 755 HE2 LYS 86 2HE LYS 86 11.127 -0.147 -7.099 756 HE3 LYS 86 1HE LYS 86 11.477 -1.731 -7.792 757 HZ1 LYS 86 3HZ LYS 86 9.736 -1.367 -9.414 758 HZ2 LYS 86 1HZ LYS 86 10.854 -0.103 -9.477 759 HZ3 LYS 86 2HZ LYS 86 9.353 0.125 -8.733 760 H GLU 87 H GLU 87 9.218 1.561 -2.642 761 HA GLU 87 HA GLU 87 11.497 3.372 -2.460 762 HB2 GLU 87 2HB GLU 87 8.509 3.968 -2.673 763 HB3 GLU 87 1HB GLU 87 9.808 5.158 -2.794 764 HG2 GLU 87 2HG GLU 87 10.704 3.896 -4.775 765 HG3 GLU 87 1HG GLU 87 9.300 2.844 -4.689 766 H ILE 88 H ILE 88 9.970 1.601 -0.193 767 HA ILE 88 HA ILE 88 9.931 3.408 2.023 768 HB ILE 88 HB ILE 88 10.300 0.374 1.922 769 HG12 ILE 88 2HG1 ILE 88 7.871 1.996 2.799 770 HG13 ILE 88 1HG1 ILE 88 8.073 1.334 1.191 771 HG21 ILE 88 1HG2 ILE 88 11.345 1.185 4.002 772 HG22 ILE 88 2HG2 ILE 88 9.847 0.326 4.365 773 HG23 ILE 88 3HG2 ILE 88 9.882 2.090 4.402 774 HD11 ILE 88 3HD1 ILE 88 8.068 -0.920 2.105 775 HD12 ILE 88 1HD1 ILE 88 6.605 -0.033 2.535 776 HD13 ILE 88 2HD1 ILE 88 7.879 -0.260 3.731 777 H ARG 89 H ARG 89 12.488 1.601 0.342 778 HA ARG 89 HA ARG 89 14.376 1.607 2.443 779 HB2 ARG 89 2HB ARG 89 14.444 0.013 0.515 780 HB3 ARG 89 1HB ARG 89 14.955 1.336 -0.534 781 HG2 ARG 89 2HG ARG 89 16.876 -0.032 0.162 782 HG3 ARG 89 1HG ARG 89 17.018 1.611 0.797 783 HD2 ARG 89 2HD ARG 89 16.148 0.820 2.982 784 HD3 ARG 89 1HD ARG 89 16.044 -0.822 2.337 785 HE ARG 89 HE ARG 89 18.682 0.130 2.051 786 HH11 ARG 89 1HH1 ARG 89 16.467 -0.857 4.605 787 HH12 ARG 89 2HH1 ARG 89 17.731 -1.367 5.670 788 HH21 ARG 89 1HH2 ARG 89 20.343 -0.555 3.456 789 HH22 ARG 89 2HH2 ARG 89 19.935 -1.195 5.018 790 HA PRO 90 HA PRO 90 16.424 5.554 0.390 791 HB2 PRO 90 2HB PRO 90 14.842 7.124 -1.262 792 HB3 PRO 90 1HB PRO 90 15.955 5.879 -1.856 793 HG2 PRO 90 2HG PRO 90 12.991 5.696 -1.446 794 HG3 PRO 90 1HG PRO 90 13.977 5.094 -2.798 795 HD2 PRO 90 2HD PRO 90 13.104 3.450 -0.839 796 HD3 PRO 90 1HD PRO 90 14.677 3.207 -1.628 797 H THR 91 H THR 91 12.919 5.665 1.019 798 HA THR 91 HA THR 91 12.678 8.116 2.391 799 HB THR 91 HB THR 91 11.171 5.498 2.814 800 HG1 THR 91 HG1 THR 91 10.017 6.155 1.167 801 HG21 THR 91 3HG2 THR 91 10.411 8.269 3.816 802 HG22 THR 91 1HG2 THR 91 10.850 6.889 4.827 803 HG23 THR 91 2HG2 THR 91 9.371 6.846 3.864 804 H TYR 92 H TYR 92 13.389 4.880 3.665 805 HA TYR 92 HA TYR 92 13.752 5.551 6.377 806 HB2 TYR 92 2HB TYR 92 13.306 3.231 5.596 807 HB3 TYR 92 1HB TYR 92 14.875 3.184 4.791 808 HD1 TYR 92 HD2 TYR 92 13.286 3.601 8.154 809 HD2 TYR 92 HD1 TYR 92 16.796 2.424 6.023 810 HE1 TYR 92 HE2 TYR 92 14.291 2.831 10.251 811 HE2 TYR 92 HE1 TYR 92 17.811 1.648 8.131 812 HH TYR 92 HH TYR 92 15.999 1.491 11.100 813 H ALA 93 H ALA 93 15.887 5.602 3.576 814 HA ALA 93 HA ALA 93 18.378 5.800 4.973 815 HB1 ALA 93 3HB ALA 93 18.183 4.904 2.679 816 HB2 ALA 93 1HB ALA 93 19.329 6.243 2.751 817 HB3 ALA 93 2HB ALA 93 17.710 6.497 2.086 818 H GLY 94 H GLY 94 15.879 8.107 4.606 819 HA2 GLY 94 2HA GLY 94 16.126 10.243 5.644 820 HA3 GLY 94 1HA GLY 94 17.760 10.376 5.017 821 H SER 95 H SER 95 16.134 9.202 2.455 822 HA SER 95 HA SER 95 16.079 11.713 1.103 823 HB2 SER 95 2HB SER 95 14.973 9.030 0.165 824 HB3 SER 95 1HB SER 95 15.382 10.415 -0.856 825 HG SER 95 HG SER 95 17.469 9.794 0.688 826 H LYS 96 H LYS 96 14.597 13.080 1.964 827 HA LYS 96 HA LYS 96 11.897 12.576 2.540 828 HB2 LYS 96 2HB LYS 96 11.571 14.970 2.712 829 HB3 LYS 96 1HB LYS 96 13.099 14.537 3.440 830 HG2 LYS 96 2HG LYS 96 12.829 15.794 0.682 831 HG3 LYS 96 1HG LYS 96 13.114 16.704 2.162 832 HD2 LYS 96 2HD LYS 96 14.974 14.669 0.890 833 HD3 LYS 96 1HD LYS 96 15.214 16.413 0.960 834 HE2 LYS 96 2HE LYS 96 15.195 14.523 3.344 835 HE3 LYS 96 1HE LYS 96 16.621 15.243 2.602 836 HZ1 LYS 96 3HZ LYS 96 15.880 17.398 3.274 837 HZ2 LYS 96 1HZ LYS 96 15.902 16.383 4.623 838 HZ3 LYS 96 2HZ LYS 96 14.435 16.774 3.882 839 H SER 97 H SER 97 13.452 13.414 -0.506 840 HA SER 97 HA SER 97 11.162 14.033 -2.032 841 HB2 SER 97 2HB SER 97 13.715 12.661 -2.995 842 HB3 SER 97 1HB SER 97 12.541 13.517 -4.004 843 HG SER 97 HG SER 97 13.282 15.162 -2.064 844 H ALA 98 H ALA 98 12.698 10.918 -1.197 845 HA ALA 98 HA ALA 98 10.856 9.266 -2.623 846 HB1 ALA 98 3HB ALA 98 11.903 7.421 -1.386 847 HB2 ALA 98 1HB ALA 98 12.745 8.578 -0.347 848 HB3 ALA 98 2HB ALA 98 13.113 8.503 -2.072 849 H MET 99 H MET 99 10.975 10.617 0.647 850 HA MET 99 HA MET 99 9.020 8.999 1.886 851 HB2 MET 99 2HB MET 99 10.551 10.361 3.214 852 HB3 MET 99 1HB MET 99 9.918 11.844 2.509 853 HG2 MET 99 2HG MET 99 7.714 11.356 3.591 854 HG3 MET 99 1HG MET 99 8.448 9.953 4.365 855 HE1 MET 99 3HE MET 99 9.887 14.266 5.251 856 HE2 MET 99 1HE MET 99 8.585 13.943 4.112 857 HE3 MET 99 2HE MET 99 10.229 13.439 3.728 858 H GLU 100 H GLU 100 8.713 12.237 0.351 859 HA GLU 100 HA GLU 100 5.921 12.532 0.693 860 HB2 GLU 100 2HB GLU 100 6.074 14.288 -1.060 861 HB3 GLU 100 1HB GLU 100 7.326 14.458 0.166 862 HG2 GLU 100 2HG GLU 100 8.967 13.421 -1.353 863 HG3 GLU 100 1HG GLU 100 7.719 13.234 -2.580 864 H ARG 101 H ARG 101 7.858 10.953 -1.771 865 HA ARG 101 HA ARG 101 5.795 10.309 -3.625 866 HB2 ARG 101 2HB ARG 101 8.077 10.383 -4.375 867 HB3 ARG 101 1HB ARG 101 8.613 9.307 -3.093 868 HG2 ARG 101 2HG ARG 101 8.687 8.087 -5.138 869 HG3 ARG 101 1HG ARG 101 7.346 7.449 -4.192 870 HD2 ARG 101 2HD ARG 101 5.771 8.776 -5.587 871 HD3 ARG 101 1HD ARG 101 7.138 9.347 -6.559 872 HE ARG 101 HE ARG 101 7.260 6.566 -6.507 873 HH11 ARG 101 1HH1 ARG 101 5.057 8.988 -7.815 874 HH12 ARG 101 2HH1 ARG 101 4.503 7.956 -9.096 875 HH21 ARG 101 1HH2 ARG 101 6.489 5.226 -8.129 876 HH22 ARG 101 2HH2 ARG 101 5.323 5.819 -9.267 877 H LEU 102 H LEU 102 7.107 8.723 -0.731 878 HA LEU 102 HA LEU 102 5.847 6.166 -1.163 879 HB2 LEU 102 2HB LEU 102 7.945 6.474 0.176 880 HB3 LEU 102 1HB LEU 102 7.030 7.355 1.389 881 HG LEU 102 HG LEU 102 5.710 5.299 1.887 882 HD11 LEU 102 1HD1 LEU 102 5.780 4.217 -0.291 883 HD12 LEU 102 2HD1 LEU 102 6.361 3.132 0.968 884 HD13 LEU 102 3HD1 LEU 102 7.514 3.919 -0.113 885 HD21 LEU 102 3HD2 LEU 102 7.720 5.758 3.210 886 HD22 LEU 102 1HD2 LEU 102 8.704 4.848 2.061 887 HD23 LEU 102 2HD2 LEU 102 7.466 4.027 3.017 888 H LYS 103 H LYS 103 5.196 9.003 0.868 889 HA LYS 103 HA LYS 103 2.756 8.320 2.030 890 HB2 LYS 103 2HB LYS 103 3.943 10.986 1.165 891 HB3 LYS 103 1HB LYS 103 2.391 10.899 1.984 892 HG2 LYS 103 2HG LYS 103 4.976 9.821 3.153 893 HG3 LYS 103 1HG LYS 103 4.356 11.440 3.466 894 HD2 LYS 103 2HD LYS 103 2.905 8.848 4.160 895 HD3 LYS 103 1HD LYS 103 3.811 9.850 5.294 896 HE2 LYS 103 2HE LYS 103 2.263 11.723 4.890 897 HE3 LYS 103 1HE LYS 103 1.351 10.734 3.750 898 HZ1 LYS 103 3HZ LYS 103 0.312 10.803 5.920 899 HZ2 LYS 103 1HZ LYS 103 1.697 10.157 6.639 900 HZ3 LYS 103 2HZ LYS 103 0.805 9.232 5.542 901 H ARG 104 H ARG 104 3.487 9.844 -1.097 902 HA ARG 104 HA ARG 104 0.891 10.197 -2.108 903 HB2 ARG 104 2HB ARG 104 2.815 11.293 -3.122 904 HB3 ARG 104 1HB ARG 104 3.579 9.749 -3.473 905 HG2 ARG 104 2HG ARG 104 1.822 9.259 -5.144 906 HG3 ARG 104 1HG ARG 104 1.058 10.810 -4.792 907 HD2 ARG 104 2HD ARG 104 2.999 12.009 -5.633 908 HD3 ARG 104 1HD ARG 104 3.892 10.496 -5.827 909 HE ARG 104 HE ARG 104 1.712 10.107 -7.368 910 HH11 ARG 104 1HH1 ARG 104 4.043 12.719 -7.271 911 HH12 ARG 104 2HH1 ARG 104 3.900 13.075 -8.959 912 HH21 ARG 104 1HH2 ARG 104 1.562 10.548 -9.589 913 HH22 ARG 104 2HH2 ARG 104 2.490 11.842 -10.273 914 H GLY 105 H GLY 105 3.093 7.417 -2.110 915 HA2 GLY 105 2HA GLY 105 1.817 5.623 -3.781 916 HA3 GLY 105 1HA GLY 105 2.736 5.188 -2.353 917 H ILE 106 H ILE 106 1.209 6.250 -0.329 918 HA ILE 106 HA ILE 106 -0.939 4.354 -0.145 919 HB ILE 106 HB ILE 106 0.229 6.401 1.750 920 HG12 ILE 106 2HG1 ILE 106 0.480 4.300 3.198 921 HG13 ILE 106 1HG1 ILE 106 -0.103 3.369 1.833 922 HG21 ILE 106 1HG2 ILE 106 -2.358 4.908 2.327 923 HG22 ILE 106 2HG2 ILE 106 -2.160 6.656 2.209 924 HG23 ILE 106 3HG2 ILE 106 -1.399 5.770 3.529 925 HD11 ILE 106 3HD1 ILE 106 2.305 3.260 2.047 926 HD12 ILE 106 1HD1 ILE 106 2.412 5.013 1.916 927 HD13 ILE 106 2HD1 ILE 106 1.854 4.066 0.544 928 H ILE 107 H ILE 107 -0.790 7.887 -0.638 929 HA ILE 107 HA ILE 107 -3.559 8.471 -0.414 930 HB ILE 107 HB ILE 107 -1.491 9.855 -2.198 931 HG12 ILE 107 2HG1 ILE 107 -2.394 10.580 0.635 932 HG13 ILE 107 1HG1 ILE 107 -0.866 9.814 0.230 933 HG21 ILE 107 1HG2 ILE 107 -4.187 10.899 -1.230 934 HG22 ILE 107 2HG2 ILE 107 -3.794 10.436 -2.887 935 HG23 ILE 107 3HG2 ILE 107 -2.995 11.824 -2.149 936 HD11 ILE 107 3HD1 ILE 107 -1.728 12.579 -0.609 937 HD12 ILE 107 1HD1 ILE 107 -0.194 11.805 -1.019 938 HD13 ILE 107 2HD1 ILE 107 -0.577 12.174 0.662 939 H HIS 108 H HIS 108 -1.587 7.291 -3.057 940 HA HIS 108 HA HIS 108 -3.649 7.307 -5.071 941 HB2 HIS 108 2HB HIS 108 -1.220 7.530 -5.625 942 HB3 HIS 108 1HB HIS 108 -0.954 5.882 -5.067 943 HD1 HIS 108 HD1 HIS 108 -0.167 5.019 -7.324 944 HD2 HIS 108 HD2 HIS 108 -3.941 6.749 -7.493 945 HE1 HIS 108 HE1 HIS 108 -1.061 4.479 -9.603 946 HE2 HIS 108 HE2 HIS 108 -3.337 5.526 -9.681 947 H ALA 109 H ALA 109 -2.106 4.777 -3.048 948 HA ALA 109 HA ALA 109 -3.371 2.572 -4.331 949 HB1 ALA 109 3HB ALA 109 -2.498 1.232 -2.460 950 HB2 ALA 109 1HB ALA 109 -2.083 2.711 -1.585 951 HB3 ALA 109 2HB ALA 109 -1.269 2.321 -3.099 952 H ARG 110 H ARG 110 -4.116 4.419 -1.385 953 HA ARG 110 HA ARG 110 -6.275 2.792 -0.452 954 HB2 ARG 110 2HB ARG 110 -4.879 4.471 0.925 955 HB3 ARG 110 1HB ARG 110 -5.834 5.749 0.189 956 HG2 ARG 110 2HG ARG 110 -7.903 4.610 1.173 957 HG3 ARG 110 1HG ARG 110 -6.798 3.562 2.066 958 HD2 ARG 110 2HD ARG 110 -7.543 5.421 3.484 959 HD3 ARG 110 1HD ARG 110 -5.810 5.559 3.178 960 HE ARG 110 HE ARG 110 -6.508 7.189 1.363 961 HH11 ARG 110 1HH1 ARG 110 -8.368 6.861 4.330 962 HH12 ARG 110 2HH1 ARG 110 -8.995 8.475 4.252 963 HH21 ARG 110 1HH2 ARG 110 -7.377 9.280 1.248 964 HH22 ARG 110 2HH2 ARG 110 -8.429 9.844 2.506 965 H ALA 111 H ALA 111 -5.964 5.473 -2.684 966 HA ALA 111 HA ALA 111 -8.722 6.110 -3.042 967 HB1 ALA 111 3HB ALA 111 -6.928 7.674 -3.655 968 HB2 ALA 111 1HB ALA 111 -7.944 7.316 -5.052 969 HB3 ALA 111 2HB ALA 111 -6.354 6.561 -4.897 970 H LEU 112 H LEU 112 -6.416 3.979 -4.703 971 HA LEU 112 HA LEU 112 -8.138 3.098 -6.790 972 HB2 LEU 112 2HB LEU 112 -5.659 1.782 -5.613 973 HB3 LEU 112 1HB LEU 112 -6.469 1.223 -7.070 974 HG LEU 112 HG LEU 112 -5.139 3.941 -6.736 975 HD11 LEU 112 1HD1 LEU 112 -3.444 3.114 -8.287 976 HD12 LEU 112 2HD1 LEU 112 -4.216 1.526 -8.310 977 HD13 LEU 112 3HD1 LEU 112 -3.499 2.142 -6.818 978 HD21 LEU 112 3HD2 LEU 112 -6.414 2.718 -9.206 979 HD22 LEU 112 1HD2 LEU 112 -5.506 4.232 -9.149 980 HD23 LEU 112 2HD2 LEU 112 -7.030 4.089 -8.278 981 H VAL 113 H VAL 113 -7.546 1.959 -3.508 982 HA VAL 113 HA VAL 113 -9.176 -0.384 -3.664 983 HB VAL 113 HB VAL 113 -8.431 1.224 -1.166 984 HG11 VAL 113 1HG1 VAL 113 -10.328 -0.272 -0.746 985 HG12 VAL 113 2HG1 VAL 113 -8.887 -0.894 0.058 986 HG13 VAL 113 3HG1 VAL 113 -9.443 -1.633 -1.441 987 HG21 VAL 113 3HG2 VAL 113 -6.599 -0.398 -0.833 988 HG22 VAL 113 1HG2 VAL 113 -6.412 0.453 -2.366 989 HG23 VAL 113 2HG2 VAL 113 -7.020 -1.196 -2.350 990 H ARG 114 H ARG 114 -9.708 2.990 -2.673 991 HA ARG 114 HA ARG 114 -12.257 2.776 -1.524 992 HB2 ARG 114 2HB ARG 114 -10.795 4.723 -1.185 993 HB3 ARG 114 1HB ARG 114 -10.910 5.149 -2.889 994 HG2 ARG 114 2HG ARG 114 -12.309 6.608 -1.457 995 HG3 ARG 114 1HG ARG 114 -13.273 5.716 -2.633 996 HD2 ARG 114 2HD ARG 114 -13.808 4.049 -0.812 997 HD3 ARG 114 1HD ARG 114 -12.981 5.110 0.326 998 HE ARG 114 HE ARG 114 -14.724 6.655 0.161 999 HH11 ARG 114 1HH1 ARG 114 -15.354 3.879 -1.914 1000 HH12 ARG 114 2HH1 ARG 114 -17.034 4.256 -2.105 1001 HH21 ARG 114 1HH2 ARG 114 -16.929 7.111 -0.073 1002 HH22 ARG 114 2HH2 ARG 114 -17.929 6.090 -1.061 1003 H GLU 115 H GLU 115 -11.367 3.719 -4.844 1004 HA GLU 115 HA GLU 115 -14.018 3.978 -5.840 1005 HB2 GLU 115 2HB GLU 115 -12.959 4.060 -8.068 1006 HB3 GLU 115 1HB GLU 115 -12.111 5.081 -6.911 1007 HG2 GLU 115 2HG GLU 115 -10.443 3.184 -6.620 1008 HG3 GLU 115 1HG GLU 115 -11.220 2.391 -7.986 1009 H CYS 116 H CYS 116 -11.743 1.249 -5.658 1010 HA CYS 116 HA CYS 116 -13.270 -0.524 -7.315 1011 HB2 CYS 116 2HB CYS 116 -10.842 -0.794 -7.042 1012 HB3 CYS 116 1HB CYS 116 -11.051 -1.142 -5.326 1013 HG CYS 116 HG CYS 116 -12.237 -3.575 -5.648 1014 H LEU 117 H LEU 117 -13.368 0.332 -3.895 1015 HA LEU 117 HA LEU 117 -14.766 -1.851 -2.807 1016 HB2 LEU 117 2HB LEU 117 -14.831 1.114 -2.111 1017 HB3 LEU 117 1HB LEU 117 -15.736 -0.069 -1.180 1018 HG LEU 117 HG LEU 117 -12.704 -0.092 -1.485 1019 HD11 LEU 117 1HD1 LEU 117 -13.441 1.887 -0.242 1020 HD12 LEU 117 2HD1 LEU 117 -12.609 0.744 0.806 1021 HD13 LEU 117 3HD1 LEU 117 -14.370 0.865 0.863 1022 HD21 LEU 117 3HD2 LEU 117 -13.656 -2.324 -1.043 1023 HD22 LEU 117 1HD2 LEU 117 -14.479 -1.695 0.387 1024 HD23 LEU 117 2HD2 LEU 117 -12.713 -1.734 0.321 1025 H ALA 118 H ALA 118 -15.862 0.924 -4.684 1026 HA ALA 118 HA ALA 118 -18.639 0.682 -4.416 1027 HB1 ALA 118 3HB ALA 118 -18.771 2.049 -6.459 1028 HB2 ALA 118 1HB ALA 118 -17.060 1.735 -6.780 1029 HB3 ALA 118 2HB ALA 118 -17.535 2.668 -5.362 1030 H GLU 119 H GLU 119 -16.574 -0.512 -7.157 1031 HA GLU 119 HA GLU 119 -18.669 -2.041 -8.297 1032 HB2 GLU 119 2HB GLU 119 -17.000 -2.879 -9.863 1033 HB3 GLU 119 1HB GLU 119 -16.814 -1.144 -9.650 1034 HG2 GLU 119 2HG GLU 119 -14.835 -1.441 -8.294 1035 HG3 GLU 119 1HG GLU 119 -15.079 -3.182 -8.222 1036 H THR 120 H THR 120 -16.346 -2.812 -5.778 1037 HA THR 120 HA THR 120 -16.528 -5.701 -6.076 1038 HB THR 120 HB THR 120 -15.334 -4.062 -3.774 1039 HG1 THR 120 HG1 THR 120 -14.409 -4.094 -6.078 1040 HG21 THR 120 3HG2 THR 120 -15.866 -6.381 -3.022 1041 HG22 THR 120 1HG2 THR 120 -14.121 -6.140 -3.151 1042 HG23 THR 120 2HG2 THR 120 -14.982 -7.033 -4.403 1043 H GLU 121 H GLU 121 -18.151 -3.176 -4.269 1044 HA GLU 121 HA GLU 121 -19.699 -4.813 -2.493 1045 HB2 GLU 121 2HB GLU 121 -19.280 -2.216 -2.447 1046 HB3 GLU 121 1HB GLU 121 -20.588 -2.105 -3.602 1047 HG2 GLU 121 2HG GLU 121 -20.816 -3.260 -0.810 1048 HG3 GLU 121 1HG GLU 121 -21.248 -1.616 -1.248 1049 H ARG 122 H ARG 122 -19.982 -3.636 -5.818 1050 HA ARG 122 HA ARG 122 -22.746 -4.441 -6.152 1051 HB2 ARG 122 2HB ARG 122 -21.758 -2.327 -7.175 1052 HB3 ARG 122 1HB ARG 122 -20.785 -3.345 -8.233 1053 HG2 ARG 122 2HG ARG 122 -22.764 -2.531 -9.414 1054 HG3 ARG 122 1HG ARG 122 -22.846 -4.285 -9.223 1055 HD2 ARG 122 2HD ARG 122 -25.030 -3.290 -8.799 1056 HD3 ARG 122 1HD ARG 122 -24.403 -3.987 -7.306 1057 HE ARG 122 HE ARG 122 -24.498 -1.092 -7.964 1058 HH11 ARG 122 1HH1 ARG 122 -24.357 -3.619 -5.507 1059 HH12 ARG 122 2HH1 ARG 122 -24.536 -2.501 -4.189 1060 HH21 ARG 122 1HH2 ARG 122 -24.705 0.344 -6.214 1061 HH22 ARG 122 2HH2 ARG 122 -24.727 -0.276 -4.592 1062 H ASN 123 H ASN 123 -19.562 -5.675 -6.681 1063 HA ASN 123 HA ASN 123 -20.334 -7.894 -8.425 1064 HB2 ASN 123 2HB ASN 123 -18.072 -6.734 -8.574 1065 HB3 ASN 123 1HB ASN 123 -17.682 -7.358 -6.974 1066 HD21 ASN 123 1HD2 ASN 123 -15.998 -8.666 -7.569 1067 HD22 ASN 123 2HD2 ASN 123 -16.148 -10.024 -8.625 1068 H ALA 124 H ALA 124 -19.894 -10.147 -7.686 1069 HA ALA 124 HA ALA 124 -20.167 -10.612 -4.770 1070 HB1 ALA 124 3HB ALA 124 -22.276 -11.137 -5.958 1071 HB2 ALA 124 1HB ALA 124 -21.535 -12.597 -5.294 1072 HB3 ALA 124 2HB ALA 124 -21.406 -12.242 -7.021 1073 H ARG 125 H ARG 125 -19.223 -12.562 -4.022 1074 HA ARG 125 HA ARG 125 -16.805 -13.486 -5.271 1075 HB2 ARG 125 2HB ARG 125 -17.102 -13.383 -2.794 1076 HB3 ARG 125 1HB ARG 125 -18.385 -14.586 -2.893 1077 HG2 ARG 125 2HG ARG 125 -16.345 -15.649 -2.124 1078 HG3 ARG 125 1HG ARG 125 -16.736 -16.249 -3.735 1079 HD2 ARG 125 2HD ARG 125 -15.029 -14.791 -4.719 1080 HD3 ARG 125 1HD ARG 125 -14.682 -14.087 -3.133 1081 HE ARG 125 HE ARG 125 -14.289 -16.965 -3.687 1082 HH11 ARG 125 1HH1 ARG 125 -12.984 -13.903 -2.564 1083 HH12 ARG 125 2HH1 ARG 125 -11.493 -14.615 -2.025 1084 HH21 ARG 125 1HH2 ARG 125 -12.365 -17.874 -2.987 1085 HH22 ARG 125 2HH2 ARG 125 -11.150 -16.867 -2.265 1086 H THR 126 H THR 126 -20.082 -14.800 -4.736 1087 HA THR 126 HA THR 126 -19.981 -16.208 -7.287 1088 HB THR 126 HB THR 126 -20.770 -17.713 -4.735 1089 HG1 THR 126 HG1 THR 126 -18.440 -17.615 -6.266 1090 HG21 THR 126 3HG2 THR 126 -22.151 -18.391 -6.683 1091 HG22 THR 126 1HG2 THR 126 -21.032 -19.680 -6.230 1092 HG23 THR 126 2HG2 THR 126 -20.689 -18.665 -7.633 Start of MODEL 6 1 H1 SER 58 1H SER 58 -40.063 14.156 9.182 2 H2 SER 58 2H SER 58 -40.584 13.194 7.902 3 H3 SER 58 3H SER 58 -39.587 14.520 7.604 4 HA SER 58 HA SER 58 -37.787 13.515 8.780 5 HB2 SER 58 2HB SER 58 -39.742 11.215 9.189 6 HB3 SER 58 1HB SER 58 -38.032 11.171 9.622 7 HG SER 58 HG SER 58 -39.310 11.698 11.422 8 H HIS 59 H HIS 59 -36.652 13.500 6.922 9 HA HIS 59 HA HIS 59 -37.321 11.829 4.624 10 HB2 HIS 59 2HB HIS 59 -34.864 13.597 5.120 11 HB3 HIS 59 1HB HIS 59 -35.228 12.770 3.609 12 HD1 HIS 59 HD1 HIS 59 -35.728 15.924 5.297 13 HD2 HIS 59 HD2 HIS 59 -37.754 13.767 2.385 14 HE1 HIS 59 HE1 HIS 59 -37.153 17.601 4.103 15 HE2 HIS 59 HE2 HIS 59 -38.536 16.221 2.513 16 H MET 60 H MET 60 -37.279 9.786 5.722 17 HA MET 60 HA MET 60 -34.795 8.829 6.917 18 HB2 MET 60 2HB MET 60 -37.494 7.452 6.520 19 HB3 MET 60 1HB MET 60 -36.124 6.736 7.362 20 HG2 MET 60 2HG MET 60 -36.206 8.574 9.019 21 HG3 MET 60 1HG MET 60 -37.621 9.229 8.187 22 HE1 MET 60 3HE MET 60 -38.900 9.152 10.589 23 HE2 MET 60 1HE MET 60 -37.492 8.413 11.352 24 HE3 MET 60 2HE MET 60 -39.083 7.674 11.531 25 H ALA 61 H ALA 61 -33.359 8.808 5.182 26 HA ALA 61 HA ALA 61 -33.711 6.609 3.203 27 HB1 ALA 61 3HB ALA 61 -32.194 7.859 1.711 28 HB2 ALA 61 1HB ALA 61 -32.094 9.174 2.887 29 HB3 ALA 61 2HB ALA 61 -33.626 8.815 2.091 30 H MET 62 H MET 62 -32.791 5.008 4.337 31 HA MET 62 HA MET 62 -30.025 5.277 5.351 32 HB2 MET 62 2HB MET 62 -30.655 4.152 7.472 33 HB3 MET 62 1HB MET 62 -31.509 5.679 7.296 34 HG2 MET 62 2HG MET 62 -33.548 4.503 6.662 35 HG3 MET 62 1HG MET 62 -32.698 2.957 6.706 36 HE1 MET 62 3HE MET 62 -35.476 3.591 8.313 37 HE2 MET 62 1HE MET 62 -35.111 2.756 9.821 38 HE3 MET 62 2HE MET 62 -34.666 2.021 8.281 39 H LYS 63 H LYS 63 -28.871 3.380 5.389 40 HA LYS 63 HA LYS 63 -30.066 0.797 4.912 41 HB2 LYS 63 2HB LYS 63 -28.643 0.241 2.954 42 HB3 LYS 63 1HB LYS 63 -29.817 1.489 2.589 43 HG2 LYS 63 2HG LYS 63 -26.892 2.073 3.167 44 HG3 LYS 63 1HG LYS 63 -27.526 1.771 1.551 45 HD2 LYS 63 2HD LYS 63 -28.994 3.740 1.743 46 HD3 LYS 63 1HD LYS 63 -28.390 4.050 3.374 47 HE2 LYS 63 2HE LYS 63 -26.757 4.126 0.811 48 HE3 LYS 63 1HE LYS 63 -27.304 5.526 1.731 49 HZ1 LYS 63 3HZ LYS 63 -25.368 3.463 2.647 50 HZ2 LYS 63 1HZ LYS 63 -25.916 4.751 3.593 51 HZ3 LYS 63 2HZ LYS 63 -25.007 5.049 2.205 52 HA PRO 64 HA PRO 64 -26.202 0.922 7.606 53 HB2 PRO 64 2HB PRO 64 -27.310 0.358 10.048 54 HB3 PRO 64 1HB PRO 64 -27.225 2.004 9.397 55 HG2 PRO 64 2HG PRO 64 -29.556 0.152 9.534 56 HG3 PRO 64 1HG PRO 64 -29.494 1.915 9.752 57 HD2 PRO 64 2HD PRO 64 -30.297 0.637 7.408 58 HD3 PRO 64 1HD PRO 64 -29.740 2.318 7.508 59 HA PRO 65 HA PRO 65 -26.237 -3.588 6.767 60 HB2 PRO 65 2HB PRO 65 -23.532 -3.982 7.277 61 HB3 PRO 65 1HB PRO 65 -24.161 -3.342 5.746 62 HG2 PRO 65 2HG PRO 65 -23.036 -1.836 8.087 63 HG3 PRO 65 1HG PRO 65 -22.708 -1.623 6.349 64 HD2 PRO 65 2HD PRO 65 -24.410 0.005 7.636 65 HD3 PRO 65 1HD PRO 65 -24.735 -0.517 5.965 66 H GLY 66 H GLY 66 -27.511 -4.292 8.487 67 HA2 GLY 66 2HA GLY 66 -26.743 -4.140 11.248 68 HA3 GLY 66 1HA GLY 66 -28.118 -5.011 10.590 69 H ALA 67 H ALA 67 -26.123 -6.426 8.745 70 HA ALA 67 HA ALA 67 -24.653 -8.204 10.536 71 HB1 ALA 67 3HB ALA 67 -26.930 -9.246 8.791 72 HB2 ALA 67 1HB ALA 67 -26.937 -9.157 10.555 73 HB3 ALA 67 2HB ALA 67 -25.808 -10.231 9.734 74 H GLN 68 H GLN 68 -25.789 -7.504 7.252 75 HA GLN 68 HA GLN 68 -23.717 -8.997 5.923 76 HB2 GLN 68 2HB GLN 68 -25.763 -7.030 4.778 77 HB3 GLN 68 1HB GLN 68 -24.735 -8.106 3.834 78 HG2 GLN 68 2HG GLN 68 -25.834 -10.062 4.897 79 HG3 GLN 68 1HG GLN 68 -26.896 -8.963 5.778 80 HE21 GLN 68 1HE2 GLN 68 -27.579 -11.064 3.825 81 HE22 GLN 68 2HE2 GLN 68 -28.476 -10.274 2.581 82 H GLY 69 H GLY 69 -21.904 -7.935 6.977 83 HA2 GLY 69 2HA GLY 69 -21.155 -5.238 6.111 84 HA3 GLY 69 1HA GLY 69 -20.209 -6.327 7.121 85 H SER 70 H SER 70 -21.413 -5.892 3.840 86 HA SER 70 HA SER 70 -20.154 -8.027 2.573 87 HB2 SER 70 2HB SER 70 -21.120 -5.376 1.448 88 HB3 SER 70 1HB SER 70 -20.658 -6.761 0.452 89 HG SER 70 HG SER 70 -22.291 -7.943 1.719 90 H GLN 71 H GLN 71 -18.912 -4.799 3.254 91 HA GLN 71 HA GLN 71 -16.656 -5.030 1.448 92 HB2 GLN 71 2HB GLN 71 -17.288 -2.901 3.538 93 HB3 GLN 71 1HB GLN 71 -15.950 -2.819 2.393 94 HG2 GLN 71 2HG GLN 71 -18.902 -2.809 1.740 95 HG3 GLN 71 1HG GLN 71 -17.773 -1.463 1.574 96 HE21 GLN 71 1HE2 GLN 71 -19.495 -2.809 -0.427 97 HE22 GLN 71 2HE2 GLN 71 -18.424 -3.283 -1.696 98 H SER 72 H SER 72 -17.251 -5.943 4.696 99 HA SER 72 HA SER 72 -15.154 -4.969 6.161 100 HB2 SER 72 2HB SER 72 -17.100 -6.150 7.139 101 HB3 SER 72 1HB SER 72 -16.465 -7.688 6.553 102 HG SER 72 HG SER 72 -15.807 -6.287 8.788 103 H THR 73 H THR 73 -15.127 -8.112 4.502 104 HA THR 73 HA THR 73 -12.569 -8.996 5.159 105 HB THR 73 HB THR 73 -14.163 -10.503 4.121 106 HG1 THR 73 HG1 THR 73 -11.717 -10.577 3.675 107 HG21 THR 73 3HG2 THR 73 -15.290 -8.951 2.556 108 HG22 THR 73 1HG2 THR 73 -14.763 -10.418 1.724 109 HG23 THR 73 2HG2 THR 73 -13.848 -8.919 1.539 110 H TYR 74 H TYR 74 -13.550 -6.984 2.372 111 HA TYR 74 HA TYR 74 -10.842 -6.724 1.368 112 HB2 TYR 74 2HB TYR 74 -12.851 -6.967 -0.106 113 HB3 TYR 74 1HB TYR 74 -13.405 -5.375 0.418 114 HD1 TYR 74 HD1 TYR 74 -10.335 -7.015 -0.985 115 HD2 TYR 74 HD2 TYR 74 -12.813 -3.551 -0.974 116 HE1 TYR 74 HE1 TYR 74 -8.911 -5.996 -2.686 117 HE2 TYR 74 HE2 TYR 74 -11.392 -2.525 -2.684 118 HH TYR 74 HH TYR 74 -9.089 -2.696 -3.491 119 H THR 75 H THR 75 -12.911 -4.964 3.430 120 HA THR 75 HA THR 75 -11.877 -2.337 3.314 121 HB THR 75 HB THR 75 -13.179 -3.781 5.679 122 HG1 THR 75 HG1 THR 75 -14.147 -2.971 3.344 123 HG21 THR 75 3HG2 THR 75 -13.765 -1.522 6.513 124 HG22 THR 75 1HG2 THR 75 -12.837 -0.793 5.200 125 HG23 THR 75 2HG2 THR 75 -12.014 -1.730 6.448 126 H ASP 76 H ASP 76 -10.674 -5.305 4.705 127 HA ASP 76 HA ASP 76 -8.756 -4.333 6.511 128 HB2 ASP 76 2HB ASP 76 -9.363 -6.726 6.421 129 HB3 ASP 76 1HB ASP 76 -8.694 -6.869 4.801 130 H LEU 77 H LEU 77 -8.604 -4.891 2.974 131 HA LEU 77 HA LEU 77 -5.871 -4.254 2.637 132 HB2 LEU 77 2HB LEU 77 -7.126 -5.405 0.872 133 HB3 LEU 77 1HB LEU 77 -8.176 -4.012 0.653 134 HG LEU 77 HG LEU 77 -6.306 -2.689 -0.256 135 HD11 LEU 77 1HD1 LEU 77 -4.451 -3.578 1.043 136 HD12 LEU 77 2HD1 LEU 77 -4.092 -3.651 -0.679 137 HD13 LEU 77 3HD1 LEU 77 -4.554 -5.120 0.186 138 HD21 LEU 77 3HD2 LEU 77 -6.500 -5.396 -1.614 139 HD22 LEU 77 1HD2 LEU 77 -5.902 -3.907 -2.352 140 HD23 LEU 77 2HD2 LEU 77 -7.584 -4.023 -1.849 141 H LEU 78 H LEU 78 -8.790 -2.213 2.364 142 HA LEU 78 HA LEU 78 -7.630 0.262 1.796 143 HB2 LEU 78 2HB LEU 78 -10.109 -0.278 1.821 144 HB3 LEU 78 1HB LEU 78 -10.056 -0.226 3.573 145 HG LEU 78 HG LEU 78 -9.330 2.205 3.407 146 HD11 LEU 78 1HD1 LEU 78 -8.434 2.213 1.136 147 HD12 LEU 78 2HD1 LEU 78 -9.711 3.414 1.302 148 HD13 LEU 78 3HD1 LEU 78 -10.040 1.891 0.470 149 HD21 LEU 78 3HD2 LEU 78 -11.578 3.071 2.948 150 HD22 LEU 78 1HD2 LEU 78 -11.646 1.607 3.931 151 HD23 LEU 78 2HD2 LEU 78 -12.038 1.535 2.210 152 H SER 79 H SER 79 -8.005 -1.438 4.858 153 HA SER 79 HA SER 79 -7.073 0.621 6.577 154 HB2 SER 79 2HB SER 79 -7.086 -2.392 7.034 155 HB3 SER 79 1HB SER 79 -6.944 -1.147 8.275 156 HG SER 79 HG SER 79 -9.171 -2.043 6.902 157 H VAL 80 H VAL 80 -5.444 -2.227 5.046 158 HA VAL 80 HA VAL 80 -2.957 -2.077 6.296 159 HB VAL 80 HB VAL 80 -3.571 -3.066 3.452 160 HG11 VAL 80 1HG1 VAL 80 -1.159 -2.601 3.654 161 HG12 VAL 80 2HG1 VAL 80 -1.441 -4.339 3.587 162 HG13 VAL 80 3HG1 VAL 80 -1.072 -3.566 5.133 163 HG21 VAL 80 3HG2 VAL 80 -3.536 -5.332 4.443 164 HG22 VAL 80 1HG2 VAL 80 -4.784 -4.329 5.180 165 HG23 VAL 80 2HG2 VAL 80 -3.279 -4.635 6.045 166 H ILE 81 H ILE 81 -4.067 -0.567 3.274 167 HA ILE 81 HA ILE 81 -1.774 0.784 2.513 168 HB ILE 81 HB ILE 81 -4.598 1.888 2.201 169 HG12 ILE 81 2HG1 ILE 81 -4.601 -0.396 1.354 170 HG13 ILE 81 1HG1 ILE 81 -4.638 0.706 -0.010 171 HG21 ILE 81 1HG2 ILE 81 -2.081 2.343 0.549 172 HG22 ILE 81 2HG2 ILE 81 -2.847 3.508 1.636 173 HG23 ILE 81 3HG2 ILE 81 -3.684 2.981 0.177 174 HD11 ILE 81 3HD1 ILE 81 -3.214 -1.169 -0.479 175 HD12 ILE 81 1HD1 ILE 81 -2.254 -0.870 0.969 176 HD13 ILE 81 2HD1 ILE 81 -2.227 0.287 -0.366 177 H GLU 82 H GLU 82 -4.384 1.927 4.635 178 HA GLU 82 HA GLU 82 -3.322 4.530 5.097 179 HB2 GLU 82 2HB GLU 82 -5.759 3.609 5.336 180 HB3 GLU 82 1HB GLU 82 -5.271 3.077 6.933 181 HG2 GLU 82 2HG GLU 82 -5.120 5.955 6.010 182 HG3 GLU 82 1HG GLU 82 -6.537 5.276 6.795 183 H GLU 83 H GLU 83 -3.000 1.433 6.732 184 HA GLU 83 HA GLU 83 -1.767 2.274 9.120 185 HB2 GLU 83 2HB GLU 83 -1.613 -0.388 7.656 186 HB3 GLU 83 1HB GLU 83 -0.964 -0.116 9.270 187 HG2 GLU 83 2HG GLU 83 -3.874 0.057 8.450 188 HG3 GLU 83 1HG GLU 83 -3.123 -1.237 9.376 189 H MET 84 H MET 84 -0.459 1.267 5.966 190 HA MET 84 HA MET 84 2.282 1.460 6.588 191 HB2 MET 84 2HB MET 84 0.805 1.777 3.939 192 HB3 MET 84 1HB MET 84 2.561 1.748 4.072 193 HG2 MET 84 2HG MET 84 2.389 -0.517 5.113 194 HG3 MET 84 1HG MET 84 0.657 -0.485 4.785 195 HE1 MET 84 3HE MET 84 0.700 -0.378 0.799 196 HE2 MET 84 1HE MET 84 0.645 1.019 1.873 197 HE3 MET 84 2HE MET 84 -0.347 -0.401 2.216 198 H GLY 85 H GLY 85 -0.055 3.854 5.321 199 HA2 GLY 85 2HA GLY 85 1.682 6.051 5.019 200 HA3 GLY 85 1HA GLY 85 -0.045 6.151 5.279 201 H LYS 86 H LYS 86 0.447 4.623 7.896 202 HA LYS 86 HA LYS 86 0.966 6.896 9.652 203 HB2 LYS 86 2HB LYS 86 0.217 3.989 10.208 204 HB3 LYS 86 1HB LYS 86 0.453 5.191 11.475 205 HG2 LYS 86 2HG LYS 86 -1.478 6.416 10.845 206 HG3 LYS 86 1HG LYS 86 -1.574 5.632 9.265 207 HD2 LYS 86 2HD LYS 86 -3.335 4.844 10.857 208 HD3 LYS 86 1HD LYS 86 -2.301 3.544 10.270 209 HE2 LYS 86 2HE LYS 86 -1.027 3.613 12.385 210 HE3 LYS 86 1HE LYS 86 -2.074 4.909 12.968 211 HZ1 LYS 86 3HZ LYS 86 -2.664 2.670 13.788 212 HZ2 LYS 86 1HZ LYS 86 -3.045 2.206 12.207 213 HZ3 LYS 86 2HZ LYS 86 -3.926 3.434 12.967 214 H GLU 87 H GLU 87 2.455 3.846 8.647 215 HA GLU 87 HA GLU 87 4.585 3.878 10.586 216 HB2 GLU 87 2HB GLU 87 4.217 2.145 8.104 217 HB3 GLU 87 1HB GLU 87 5.434 1.890 9.351 218 HG2 GLU 87 2HG GLU 87 2.437 1.692 9.693 219 HG3 GLU 87 1HG GLU 87 3.582 0.357 9.665 220 H ILE 88 H ILE 88 4.146 5.373 7.526 221 HA ILE 88 HA ILE 88 6.812 5.377 6.542 222 HB ILE 88 HB ILE 88 4.564 7.405 6.063 223 HG12 ILE 88 2HG1 ILE 88 5.542 5.092 4.321 224 HG13 ILE 88 1HG1 ILE 88 4.081 5.079 5.290 225 HG21 ILE 88 1HG2 ILE 88 7.175 7.099 4.517 226 HG22 ILE 88 2HG2 ILE 88 6.743 8.456 5.560 227 HG23 ILE 88 3HG2 ILE 88 5.837 8.165 4.078 228 HD11 ILE 88 3HD1 ILE 88 3.146 6.865 3.913 229 HD12 ILE 88 1HD1 ILE 88 3.584 5.445 2.968 230 HD13 ILE 88 2HD1 ILE 88 4.616 6.871 2.933 231 H ARG 89 H ARG 89 5.147 7.317 8.979 232 HA ARG 89 HA ARG 89 6.986 9.481 9.031 233 HB2 ARG 89 2HB ARG 89 5.010 8.675 11.200 234 HB3 ARG 89 1HB ARG 89 5.814 10.233 11.044 235 HG2 ARG 89 2HG ARG 89 4.596 10.737 9.008 236 HG3 ARG 89 1HG ARG 89 3.886 9.118 8.973 237 HD2 ARG 89 2HD ARG 89 2.708 9.595 11.088 238 HD3 ARG 89 1HD ARG 89 3.419 11.210 11.125 239 HE ARG 89 HE ARG 89 2.167 11.668 9.034 240 HH11 ARG 89 1HH1 ARG 89 1.045 9.099 11.139 241 HH12 ARG 89 2HH1 ARG 89 -0.595 9.190 10.601 242 HH21 ARG 89 1HH2 ARG 89 -0.024 11.816 8.345 243 HH22 ARG 89 2HH2 ARG 89 -1.199 10.731 9.015 244 HA PRO 90 HA PRO 90 9.003 7.377 12.949 245 HB2 PRO 90 2HB PRO 90 8.462 4.693 13.460 246 HB3 PRO 90 1HB PRO 90 7.591 6.043 14.213 247 HG2 PRO 90 2HG PRO 90 6.781 4.369 11.866 248 HG3 PRO 90 1HG PRO 90 5.804 4.935 13.242 249 HD2 PRO 90 2HD PRO 90 5.700 6.161 10.847 250 HD3 PRO 90 1HD PRO 90 5.552 7.067 12.367 251 H THR 91 H THR 91 8.417 5.206 10.147 252 HA THR 91 HA THR 91 10.930 3.956 9.961 253 HB THR 91 HB THR 91 9.015 4.800 7.731 254 HG1 THR 91 HG1 THR 91 7.980 3.074 8.344 255 HG21 THR 91 3HG2 THR 91 11.353 2.851 7.560 256 HG22 THR 91 1HG2 THR 91 11.244 4.406 6.726 257 HG23 THR 91 2HG2 THR 91 10.137 3.099 6.304 258 H TYR 92 H TYR 92 9.787 6.966 8.480 259 HA TYR 92 HA TYR 92 12.169 7.834 7.284 260 HB2 TYR 92 2HB TYR 92 9.905 8.725 6.750 261 HB3 TYR 92 1HB TYR 92 9.828 9.488 8.332 262 HD1 TYR 92 HD2 TYR 92 11.746 9.491 5.116 263 HD2 TYR 92 HD1 TYR 92 10.692 11.705 8.619 264 HE1 TYR 92 HE2 TYR 92 12.804 11.485 4.179 265 HE2 TYR 92 HE1 TYR 92 11.750 13.705 7.670 266 HH TYR 92 HH TYR 92 13.523 14.209 5.993 267 H ALA 93 H ALA 93 11.098 7.945 10.611 268 HA ALA 93 HA ALA 93 13.145 9.878 11.441 269 HB1 ALA 93 3HB ALA 93 10.988 8.454 13.041 270 HB2 ALA 93 1HB ALA 93 10.866 10.073 12.350 271 HB3 ALA 93 2HB ALA 93 12.035 9.750 13.631 272 H GLY 94 H GLY 94 13.358 6.749 10.636 273 HA2 GLY 94 2HA GLY 94 15.361 5.549 10.852 274 HA3 GLY 94 1HA GLY 94 15.700 6.361 12.365 275 H SER 95 H SER 95 12.535 5.321 12.583 276 HA SER 95 HA SER 95 13.187 3.146 14.335 277 HB2 SER 95 2HB SER 95 10.444 4.010 13.335 278 HB3 SER 95 1HB SER 95 10.771 2.957 14.716 279 HG SER 95 HG SER 95 12.162 5.001 15.266 280 H LYS 96 H LYS 96 14.121 1.483 13.232 281 HA LYS 96 HA LYS 96 13.149 0.266 10.841 282 HB2 LYS 96 2HB LYS 96 14.730 -1.609 11.425 283 HB3 LYS 96 1HB LYS 96 15.463 -0.012 11.372 284 HG2 LYS 96 2HG LYS 96 15.496 0.118 13.808 285 HG3 LYS 96 1HG LYS 96 14.649 -1.430 13.931 286 HD2 LYS 96 2HD LYS 96 16.603 -2.543 12.797 287 HD3 LYS 96 1HD LYS 96 17.446 -0.986 12.793 288 HE2 LYS 96 2HE LYS 96 18.208 -2.357 14.673 289 HE3 LYS 96 1HE LYS 96 17.347 -0.937 15.270 290 HZ1 LYS 96 3HZ LYS 96 16.176 -3.658 15.012 291 HZ2 LYS 96 1HZ LYS 96 15.403 -2.297 15.640 292 HZ3 LYS 96 2HZ LYS 96 16.723 -2.961 16.446 293 H SER 97 H SER 97 12.228 -0.093 14.168 294 HA SER 97 HA SER 97 11.011 -2.656 14.013 295 HB2 SER 97 2HB SER 97 10.302 -0.345 15.871 296 HB3 SER 97 1HB SER 97 9.835 -2.034 16.086 297 HG SER 97 HG SER 97 12.197 -2.433 16.032 298 H ALA 98 H ALA 98 9.844 0.655 13.430 299 HA ALA 98 HA ALA 98 7.129 -0.070 12.798 300 HB1 ALA 98 3HB ALA 98 7.707 2.114 13.747 301 HB2 ALA 98 1HB ALA 98 6.892 2.294 12.195 302 HB3 ALA 98 2HB ALA 98 8.643 2.512 12.306 303 H MET 99 H MET 99 10.085 0.558 10.985 304 HA MET 99 HA MET 99 9.158 0.652 8.362 305 HB2 MET 99 2HB MET 99 11.504 1.117 9.044 306 HB3 MET 99 1HB MET 99 11.738 -0.589 9.397 307 HG2 MET 99 2HG MET 99 11.290 -1.077 6.971 308 HG3 MET 99 1HG MET 99 11.271 0.664 6.688 309 HE1 MET 99 3HE MET 99 13.541 -1.364 9.196 310 HE2 MET 99 1HE MET 99 14.985 -1.630 8.217 311 HE3 MET 99 2HE MET 99 13.473 -2.436 7.795 312 H GLU 100 H GLU 100 9.570 -2.086 10.512 313 HA GLU 100 HA GLU 100 9.414 -4.220 8.684 314 HB2 GLU 100 2HB GLU 100 10.167 -4.505 10.993 315 HB3 GLU 100 1HB GLU 100 8.576 -4.063 11.613 316 HG2 GLU 100 2HG GLU 100 7.620 -6.092 10.523 317 HG3 GLU 100 1HG GLU 100 9.234 -6.534 9.971 318 H ARG 101 H ARG 101 6.889 -2.271 10.196 319 HA ARG 101 HA ARG 101 4.686 -4.003 9.375 320 HB2 ARG 101 2HB ARG 101 4.570 -1.127 10.414 321 HB3 ARG 101 1HB ARG 101 3.176 -2.152 10.109 322 HG2 ARG 101 2HG ARG 101 3.501 -2.102 12.457 323 HG3 ARG 101 1HG ARG 101 4.011 -3.702 11.919 324 HD2 ARG 101 2HD ARG 101 6.333 -3.115 12.151 325 HD3 ARG 101 1HD ARG 101 5.941 -1.413 12.395 326 HE ARG 101 HE ARG 101 5.587 -3.606 14.329 327 HH11 ARG 101 1HH1 ARG 101 5.425 -0.154 13.656 328 HH12 ARG 101 2HH1 ARG 101 5.356 0.287 15.335 329 HH21 ARG 101 1HH2 ARG 101 5.522 -2.996 16.524 330 HH22 ARG 101 2HH2 ARG 101 5.412 -1.317 16.943 331 H LEU 102 H LEU 102 6.353 -1.160 8.228 332 HA LEU 102 HA LEU 102 4.521 -0.335 6.218 333 HB2 LEU 102 2HB LEU 102 6.208 1.144 7.244 334 HB3 LEU 102 1HB LEU 102 7.504 0.164 6.584 335 HG LEU 102 HG LEU 102 7.002 0.915 4.316 336 HD11 LEU 102 1HD1 LEU 102 4.581 1.063 4.396 337 HD12 LEU 102 2HD1 LEU 102 5.268 2.581 3.821 338 HD13 LEU 102 3HD1 LEU 102 4.669 2.454 5.479 339 HD21 LEU 102 3HD2 LEU 102 8.474 2.334 5.659 340 HD22 LEU 102 1HD2 LEU 102 7.088 3.255 6.252 341 HD23 LEU 102 2HD2 LEU 102 7.525 3.307 4.542 342 H LYS 103 H LYS 103 7.648 -2.095 5.983 343 HA LYS 103 HA LYS 103 7.540 -2.905 3.332 344 HB2 LYS 103 2HB LYS 103 8.811 -4.363 5.686 345 HB3 LYS 103 1HB LYS 103 9.164 -4.679 3.988 346 HG2 LYS 103 2HG LYS 103 10.090 -2.415 3.730 347 HG3 LYS 103 1HG LYS 103 9.673 -2.045 5.406 348 HD2 LYS 103 2HD LYS 103 12.050 -2.583 5.261 349 HD3 LYS 103 1HD LYS 103 11.217 -3.840 6.179 350 HE2 LYS 103 2HE LYS 103 11.181 -5.262 4.133 351 HE3 LYS 103 1HE LYS 103 12.080 -4.009 3.272 352 HZ1 LYS 103 3HZ LYS 103 13.579 -5.695 4.046 353 HZ2 LYS 103 1HZ LYS 103 13.029 -5.542 5.637 354 HZ3 LYS 103 2HZ LYS 103 13.872 -4.277 4.905 355 H ARG 104 H ARG 104 6.555 -4.778 6.223 356 HA ARG 104 HA ARG 104 5.452 -7.019 4.959 357 HB2 ARG 104 2HB ARG 104 5.859 -6.879 7.394 358 HB3 ARG 104 1HB ARG 104 4.594 -5.670 7.553 359 HG2 ARG 104 2HG ARG 104 2.916 -7.363 6.844 360 HG3 ARG 104 1HG ARG 104 4.205 -8.566 6.738 361 HD2 ARG 104 2HD ARG 104 4.615 -8.424 9.117 362 HD3 ARG 104 1HD ARG 104 3.515 -7.051 9.270 363 HE ARG 104 HE ARG 104 2.626 -9.764 8.506 364 HH11 ARG 104 1HH1 ARG 104 2.150 -6.809 10.332 365 HH12 ARG 104 2HH1 ARG 104 0.669 -7.346 11.060 366 HH21 ARG 104 1HH2 ARG 104 0.704 -10.498 9.515 367 HH22 ARG 104 2HH2 ARG 104 -0.143 -9.433 10.595 368 H GLY 105 H GLY 105 4.125 -3.831 5.530 369 HA2 GLY 105 2HA GLY 105 1.441 -4.190 4.900 370 HA3 GLY 105 1HA GLY 105 2.363 -2.717 4.642 371 H ILE 106 H ILE 106 4.224 -3.548 2.736 372 HA ILE 106 HA ILE 106 2.716 -3.597 0.334 373 HB ILE 106 HB ILE 106 5.663 -3.785 0.943 374 HG12 ILE 106 2HG1 ILE 106 5.759 -1.832 -0.654 375 HG13 ILE 106 1HG1 ILE 106 4.019 -1.943 -0.854 376 HG21 ILE 106 1HG2 ILE 106 6.270 -4.056 -1.457 377 HG22 ILE 106 2HG2 ILE 106 4.581 -4.399 -1.835 378 HG23 ILE 106 3HG2 ILE 106 5.488 -5.498 -0.795 379 HD11 ILE 106 3HD1 ILE 106 3.710 -1.341 1.472 380 HD12 ILE 106 1HD1 ILE 106 4.709 -0.150 0.641 381 HD13 ILE 106 2HD1 ILE 106 5.455 -1.332 1.713 382 H ILE 107 H ILE 107 4.381 -6.231 2.112 383 HA ILE 107 HA ILE 107 4.003 -8.265 0.160 384 HB ILE 107 HB ILE 107 4.510 -8.375 3.161 385 HG12 ILE 107 2HG1 ILE 107 6.648 -9.502 2.430 386 HG13 ILE 107 1HG1 ILE 107 6.163 -9.293 0.755 387 HG21 ILE 107 1HG2 ILE 107 3.067 -10.304 2.750 388 HG22 ILE 107 2HG2 ILE 107 4.719 -10.866 3.012 389 HG23 ILE 107 3HG2 ILE 107 4.056 -10.799 1.375 390 HD11 ILE 107 3HD1 ILE 107 7.833 -7.671 1.418 391 HD12 ILE 107 1HD1 ILE 107 6.791 -7.090 2.719 392 HD13 ILE 107 2HD1 ILE 107 6.314 -6.860 1.032 393 H HIS 108 H HIS 108 2.023 -7.236 2.913 394 HA HIS 108 HA HIS 108 0.042 -9.288 2.629 395 HB2 HIS 108 2HB HIS 108 0.558 -8.185 4.837 396 HB3 HIS 108 1HB HIS 108 -0.161 -6.693 4.232 397 HD1 HIS 108 HD1 HIS 108 -1.939 -6.822 6.143 398 HD2 HIS 108 HD2 HIS 108 -2.088 -10.023 3.500 399 HE1 HIS 108 HE1 HIS 108 -4.108 -7.989 6.620 400 HE2 HIS 108 HE2 HIS 108 -4.219 -9.852 4.938 401 H ALA 109 H ALA 109 0.233 -5.836 1.745 402 HA ALA 109 HA ALA 109 -2.421 -5.593 0.758 403 HB1 ALA 109 3HB ALA 109 -1.094 -3.624 1.372 404 HB2 ALA 109 1HB ALA 109 -1.670 -3.504 -0.289 405 HB3 ALA 109 2HB ALA 109 0.016 -3.932 0.034 406 H ARG 110 H ARG 110 0.674 -6.398 -0.800 407 HA ARG 110 HA ARG 110 -0.121 -6.561 -3.493 408 HB2 ARG 110 2HB ARG 110 2.245 -6.721 -2.928 409 HB3 ARG 110 1HB ARG 110 1.970 -8.139 -1.921 410 HG2 ARG 110 2HG ARG 110 1.214 -9.320 -4.110 411 HG3 ARG 110 1HG ARG 110 1.941 -7.955 -4.949 412 HD2 ARG 110 2HD ARG 110 4.129 -8.515 -4.151 413 HD3 ARG 110 1HD ARG 110 3.480 -9.655 -2.963 414 HE ARG 110 HE ARG 110 3.289 -10.074 -5.890 415 HH11 ARG 110 1HH1 ARG 110 3.950 -11.372 -2.693 416 HH12 ARG 110 2HH1 ARG 110 4.219 -12.985 -3.271 417 HH21 ARG 110 1HH2 ARG 110 3.602 -12.195 -6.632 418 HH22 ARG 110 2HH2 ARG 110 4.017 -13.450 -5.507 419 H ALA 111 H ALA 111 -0.335 -8.866 -0.827 420 HA ALA 111 HA ALA 111 -1.083 -11.150 -2.360 421 HB1 ALA 111 3HB ALA 111 0.003 -11.328 -0.162 422 HB2 ALA 111 1HB ALA 111 -1.544 -12.174 -0.174 423 HB3 ALA 111 2HB ALA 111 -1.407 -10.599 0.612 424 H LEU 112 H LEU 112 -2.851 -8.733 -0.458 425 HA LEU 112 HA LEU 112 -5.450 -9.845 -0.685 426 HB2 LEU 112 2HB LEU 112 -4.534 -6.992 -0.149 427 HB3 LEU 112 1HB LEU 112 -6.212 -7.505 -0.030 428 HG LEU 112 HG LEU 112 -3.981 -8.721 1.652 429 HD11 LEU 112 1HD1 LEU 112 -4.194 -6.330 2.170 430 HD12 LEU 112 2HD1 LEU 112 -4.730 -7.341 3.509 431 HD13 LEU 112 3HD1 LEU 112 -5.921 -6.543 2.477 432 HD21 LEU 112 3HD2 LEU 112 -5.802 -9.587 3.049 433 HD22 LEU 112 1HD2 LEU 112 -5.947 -10.176 1.392 434 HD23 LEU 112 2HD2 LEU 112 -7.002 -8.880 1.964 435 H VAL 113 H VAL 113 -3.690 -7.493 -2.702 436 HA VAL 113 HA VAL 113 -5.846 -6.946 -4.504 437 HB VAL 113 HB VAL 113 -2.842 -6.636 -5.011 438 HG11 VAL 113 1HG1 VAL 113 -5.208 -5.389 -6.470 439 HG12 VAL 113 2HG1 VAL 113 -4.111 -6.613 -7.114 440 HG13 VAL 113 3HG1 VAL 113 -3.512 -4.993 -6.752 441 HG21 VAL 113 3HG2 VAL 113 -3.596 -5.350 -3.037 442 HG22 VAL 113 1HG2 VAL 113 -4.829 -4.559 -4.017 443 HG23 VAL 113 2HG2 VAL 113 -3.116 -4.286 -4.356 444 H ARG 114 H ARG 114 -3.124 -9.214 -4.512 445 HA ARG 114 HA ARG 114 -3.350 -10.251 -7.122 446 HB2 ARG 114 2HB ARG 114 -1.381 -10.437 -5.479 447 HB3 ARG 114 1HB ARG 114 -2.242 -11.742 -4.689 448 HG2 ARG 114 2HG ARG 114 -1.427 -11.812 -7.612 449 HG3 ARG 114 1HG ARG 114 -0.391 -12.382 -6.308 450 HD2 ARG 114 2HD ARG 114 -3.118 -13.503 -7.024 451 HD3 ARG 114 1HD ARG 114 -1.559 -14.236 -7.404 452 HE ARG 114 HE ARG 114 -1.288 -14.156 -4.816 453 HH11 ARG 114 1HH1 ARG 114 -4.270 -14.980 -6.503 454 HH12 ARG 114 2HH1 ARG 114 -4.844 -16.009 -5.227 455 HH21 ARG 114 1HH2 ARG 114 -2.051 -15.510 -3.157 456 HH22 ARG 114 2HH2 ARG 114 -3.582 -16.309 -3.327 457 H GLU 115 H GLU 115 -4.739 -11.310 -4.037 458 HA GLU 115 HA GLU 115 -6.074 -13.635 -5.012 459 HB2 GLU 115 2HB GLU 115 -6.560 -11.972 -2.491 460 HB3 GLU 115 1HB GLU 115 -7.328 -13.525 -2.825 461 HG2 GLU 115 2HG GLU 115 -5.108 -14.617 -2.863 462 HG3 GLU 115 1HG GLU 115 -4.348 -13.065 -2.523 463 H CYS 116 H CYS 116 -7.142 -10.282 -4.370 464 HA CYS 116 HA CYS 116 -9.890 -10.720 -5.007 465 HB2 CYS 116 2HB CYS 116 -9.187 -8.884 -3.561 466 HB3 CYS 116 1HB CYS 116 -8.301 -8.139 -4.891 467 HG CYS 116 HG CYS 116 -10.653 -7.674 -6.408 468 H LEU 117 H LEU 117 -7.094 -10.071 -7.012 469 HA LEU 117 HA LEU 117 -8.152 -9.092 -9.371 470 HB2 LEU 117 2HB LEU 117 -5.954 -11.115 -8.866 471 HB3 LEU 117 1HB LEU 117 -6.392 -10.708 -10.514 472 HG LEU 117 HG LEU 117 -5.403 -8.650 -8.483 473 HD11 LEU 117 1HD1 LEU 117 -3.244 -8.743 -9.656 474 HD12 LEU 117 2HD1 LEU 117 -3.839 -10.051 -10.686 475 HD13 LEU 117 3HD1 LEU 117 -3.642 -10.310 -8.951 476 HD21 LEU 117 3HD2 LEU 117 -6.782 -7.719 -10.324 477 HD22 LEU 117 1HD2 LEU 117 -5.693 -8.452 -11.505 478 HD23 LEU 117 2HD2 LEU 117 -5.106 -7.190 -10.417 479 H ALA 118 H ALA 118 -8.533 -12.306 -8.026 480 HA ALA 118 HA ALA 118 -9.601 -13.654 -10.240 481 HB1 ALA 118 3HB ALA 118 -10.196 -14.121 -7.306 482 HB2 ALA 118 1HB ALA 118 -8.847 -14.804 -8.215 483 HB3 ALA 118 2HB ALA 118 -10.505 -15.259 -8.619 484 H GLU 119 H GLU 119 -11.517 -12.185 -7.489 485 HA GLU 119 HA GLU 119 -14.003 -12.441 -8.834 486 HB2 GLU 119 2HB GLU 119 -14.973 -11.103 -7.054 487 HB3 GLU 119 1HB GLU 119 -13.820 -12.241 -6.366 488 HG2 GLU 119 2HG GLU 119 -12.155 -10.441 -6.114 489 HG3 GLU 119 1HG GLU 119 -13.267 -9.306 -6.882 490 H THR 120 H THR 120 -11.557 -9.960 -8.934 491 HA THR 120 HA THR 120 -13.039 -7.905 -10.216 492 HB THR 120 HB THR 120 -10.039 -8.487 -10.190 493 HG1 THR 120 HG1 THR 120 -11.612 -6.633 -8.691 494 HG21 THR 120 3HG2 THR 120 -9.716 -6.156 -10.864 495 HG22 THR 120 1HG2 THR 120 -11.457 -5.902 -10.950 496 HG23 THR 120 2HG2 THR 120 -10.664 -6.988 -12.092 497 H GLU 121 H GLU 121 -11.222 -10.708 -11.353 498 HA GLU 121 HA GLU 121 -11.360 -10.211 -14.155 499 HB2 GLU 121 2HB GLU 121 -9.765 -11.843 -13.089 500 HB3 GLU 121 1HB GLU 121 -11.118 -12.910 -12.728 501 HG2 GLU 121 2HG GLU 121 -11.568 -13.021 -15.217 502 HG3 GLU 121 1HG GLU 121 -10.061 -12.138 -15.468 503 H ARG 122 H ARG 122 -13.539 -11.681 -11.793 504 HA ARG 122 HA ARG 122 -15.489 -12.605 -13.719 505 HB2 ARG 122 2HB ARG 122 -15.116 -13.811 -11.604 506 HB3 ARG 122 1HB ARG 122 -15.522 -12.385 -10.664 507 HG2 ARG 122 2HG ARG 122 -17.628 -13.442 -12.537 508 HG3 ARG 122 1HG ARG 122 -17.271 -14.405 -11.106 509 HD2 ARG 122 2HD ARG 122 -17.852 -12.538 -9.646 510 HD3 ARG 122 1HD ARG 122 -18.073 -11.466 -11.036 511 HE ARG 122 HE ARG 122 -19.778 -13.641 -11.392 512 HH11 ARG 122 1HH1 ARG 122 -19.470 -10.981 -9.089 513 HH12 ARG 122 2HH1 ARG 122 -21.170 -10.950 -8.734 514 HH21 ARG 122 1HH2 ARG 122 -21.973 -13.569 -10.929 515 HH22 ARG 122 2HH2 ARG 122 -22.595 -12.423 -9.784 516 H ASN 123 H ASN 123 -14.840 -9.727 -11.859 517 HA ASN 123 HA ASN 123 -17.393 -8.519 -11.776 518 HB2 ASN 123 2HB ASN 123 -15.606 -7.702 -10.344 519 HB3 ASN 123 1HB ASN 123 -14.571 -7.355 -11.721 520 HD21 ASN 123 1HD2 ASN 123 -14.287 -5.208 -11.552 521 HD22 ASN 123 2HD2 ASN 123 -15.551 -4.031 -11.469 522 H ALA 124 H ALA 124 -18.325 -6.951 -13.100 523 HA ALA 124 HA ALA 124 -17.219 -6.554 -15.826 524 HB1 ALA 124 3HB ALA 124 -18.922 -8.342 -15.910 525 HB2 ALA 124 1HB ALA 124 -19.456 -6.902 -16.778 526 HB3 ALA 124 2HB ALA 124 -20.105 -7.260 -15.175 527 H ARG 125 H ARG 125 -17.411 -4.880 -13.301 528 HA ARG 125 HA ARG 125 -18.733 -2.523 -14.513 529 HB2 ARG 125 2HB ARG 125 -20.116 -3.375 -12.606 530 HB3 ARG 125 1HB ARG 125 -18.725 -3.240 -11.534 531 HG2 ARG 125 2HG ARG 125 -20.331 -1.353 -11.277 532 HG3 ARG 125 1HG ARG 125 -18.719 -0.813 -11.748 533 HD2 ARG 125 2HD ARG 125 -19.517 -0.617 -14.117 534 HD3 ARG 125 1HD ARG 125 -21.135 -1.082 -13.588 535 HE ARG 125 HE ARG 125 -21.061 0.989 -12.163 536 HH11 ARG 125 1HH1 ARG 125 -19.164 0.828 -15.126 537 HH12 ARG 125 2HH1 ARG 125 -19.182 2.543 -15.369 538 HH21 ARG 125 1HH2 ARG 125 -21.104 3.230 -12.534 539 HH22 ARG 125 2HH2 ARG 125 -20.280 3.898 -13.905 540 H THR 126 H THR 126 -16.986 -1.468 -15.238 541 HA THR 126 HA THR 126 -15.218 -0.207 -13.332 542 HB THR 126 HB THR 126 -13.778 -2.084 -13.707 543 HG1 THR 126 HG1 THR 126 -12.801 -0.234 -15.619 544 HG21 THR 126 3HG2 THR 126 -14.830 -3.083 -15.716 545 HG22 THR 126 1HG2 THR 126 -13.082 -2.929 -15.917 546 HG23 THR 126 2HG2 THR 126 -14.165 -1.788 -16.714 547 H1 SER 58 1H SER 58 18.659 -8.761 -3.612 548 H2 SER 58 2H SER 58 18.066 -8.874 -2.038 549 H3 SER 58 3H SER 58 18.061 -7.390 -2.834 550 HA SER 58 HA SER 58 16.527 -9.768 -3.644 551 HB2 SER 58 2HB SER 58 14.518 -8.455 -2.857 552 HB3 SER 58 1HB SER 58 15.625 -8.883 -1.556 553 HG SER 58 HG SER 58 16.329 -6.804 -1.451 554 H HIS 59 H HIS 59 15.340 -9.572 -5.503 555 HA HIS 59 HA HIS 59 15.150 -7.089 -7.019 556 HB2 HIS 59 2HB HIS 59 17.381 -8.083 -7.671 557 HB3 HIS 59 1HB HIS 59 16.579 -9.561 -8.177 558 HD1 HIS 59 HD1 HIS 59 18.052 -6.742 -9.619 559 HD2 HIS 59 HD2 HIS 59 14.448 -8.680 -10.329 560 HE1 HIS 59 HE1 HIS 59 17.401 -6.110 -11.959 561 HE2 HIS 59 HE2 HIS 59 15.143 -7.168 -12.290 562 H MET 60 H MET 60 12.932 -7.197 -7.049 563 HA MET 60 HA MET 60 11.632 -9.693 -8.015 564 HB2 MET 60 2HB MET 60 9.663 -9.099 -6.629 565 HB3 MET 60 1HB MET 60 11.104 -9.341 -5.656 566 HG2 MET 60 2HG MET 60 11.367 -6.925 -5.400 567 HG3 MET 60 1HG MET 60 9.953 -6.647 -6.423 568 HE1 MET 60 3HE MET 60 8.722 -5.726 -2.733 569 HE2 MET 60 1HE MET 60 8.955 -5.095 -4.361 570 HE3 MET 60 2HE MET 60 10.354 -5.483 -3.356 571 H ALA 61 H ALA 61 9.397 -9.251 -8.875 572 HA ALA 61 HA ALA 61 8.955 -6.752 -10.302 573 HB1 ALA 61 3HB ALA 61 8.930 -7.827 -12.549 574 HB2 ALA 61 1HB ALA 61 9.512 -9.336 -11.837 575 HB3 ALA 61 2HB ALA 61 10.538 -7.901 -11.826 576 H MET 62 H MET 62 7.463 -7.659 -8.322 577 HA MET 62 HA MET 62 5.654 -9.828 -8.994 578 HB2 MET 62 2HB MET 62 5.923 -8.091 -6.504 579 HB3 MET 62 1HB MET 62 4.856 -9.487 -6.636 580 HG2 MET 62 2HG MET 62 6.839 -10.921 -7.061 581 HG3 MET 62 1HG MET 62 7.872 -9.511 -6.810 582 HE1 MET 62 3HE MET 62 8.289 -11.823 -3.591 583 HE2 MET 62 1HE MET 62 9.135 -11.127 -4.972 584 HE3 MET 62 2HE MET 62 7.928 -12.391 -5.223 585 H LYS 63 H LYS 63 5.365 -7.249 -10.474 586 HA LYS 63 HA LYS 63 2.458 -6.909 -10.115 587 HB2 LYS 63 2HB LYS 63 2.765 -4.548 -10.938 588 HB3 LYS 63 1HB LYS 63 3.468 -4.843 -9.353 589 HG2 LYS 63 2HG LYS 63 5.714 -4.882 -10.262 590 HG3 LYS 63 1HG LYS 63 5.099 -4.847 -11.919 591 HD2 LYS 63 2HD LYS 63 4.083 -2.575 -11.387 592 HD3 LYS 63 1HD LYS 63 4.967 -2.606 -9.858 593 HE2 LYS 63 2HE LYS 63 6.239 -2.766 -12.615 594 HE3 LYS 63 1HE LYS 63 6.147 -1.313 -11.620 595 HZ1 LYS 63 3HZ LYS 63 7.519 -2.353 -9.973 596 HZ2 LYS 63 1HZ LYS 63 8.283 -2.453 -11.471 597 HZ3 LYS 63 2HZ LYS 63 7.535 -3.811 -10.817 598 HA PRO 64 HA PRO 64 3.540 -8.517 -14.369 599 HB2 PRO 64 2HB PRO 64 1.827 -10.620 -14.501 600 HB3 PRO 64 1HB PRO 64 3.319 -10.711 -13.542 601 HG2 PRO 64 2HG PRO 64 0.519 -10.200 -12.615 602 HG3 PRO 64 1HG PRO 64 1.758 -11.266 -11.913 603 HD2 PRO 64 2HD PRO 64 1.231 -8.725 -10.974 604 HD3 PRO 64 1HD PRO 64 2.797 -9.537 -10.789 605 HA PRO 65 HA PRO 65 0.088 -6.207 -16.368 606 HB2 PRO 65 2HB PRO 65 1.251 -7.508 -18.839 607 HB3 PRO 65 1HB PRO 65 0.880 -5.795 -18.527 608 HG2 PRO 65 2HG PRO 65 3.397 -6.632 -18.530 609 HG3 PRO 65 1HG PRO 65 2.851 -5.434 -17.332 610 HD2 PRO 65 2HD PRO 65 3.316 -8.396 -16.963 611 HD3 PRO 65 1HD PRO 65 3.741 -7.041 -15.888 612 H GLY 66 H GLY 66 -1.643 -7.355 -15.629 613 HA2 GLY 66 2HA GLY 66 -2.096 -10.127 -15.889 614 HA3 GLY 66 1HA GLY 66 -3.270 -8.928 -15.362 615 H ALA 67 H ALA 67 -3.231 -11.325 -17.305 616 HA ALA 67 HA ALA 67 -3.961 -10.276 -19.883 617 HB1 ALA 67 3HB ALA 67 -2.975 -12.528 -19.645 618 HB2 ALA 67 1HB ALA 67 -4.567 -12.617 -20.401 619 HB3 ALA 67 2HB ALA 67 -4.370 -13.056 -18.702 620 H GLN 68 H GLN 68 -6.064 -10.467 -20.838 621 HA GLN 68 HA GLN 68 -8.288 -10.201 -21.054 622 HB2 GLN 68 2HB GLN 68 -8.500 -11.424 -18.259 623 HB3 GLN 68 1HB GLN 68 -9.858 -11.153 -19.352 624 HG2 GLN 68 2HG GLN 68 -9.010 -12.771 -20.936 625 HG3 GLN 68 1HG GLN 68 -7.497 -12.932 -20.042 626 HE21 GLN 68 1HE2 GLN 68 -9.404 -15.030 -20.763 627 HE22 GLN 68 2HE2 GLN 68 -9.923 -15.751 -19.280 628 H GLY 69 H GLY 69 -9.299 -8.263 -21.041 629 HA2 GLY 69 2HA GLY 69 -8.373 -6.129 -19.391 630 HA3 GLY 69 1HA GLY 69 -9.638 -6.031 -20.602 631 H SER 70 H SER 70 -10.451 -8.414 -18.417 632 HA SER 70 HA SER 70 -12.585 -7.098 -17.179 633 HB2 SER 70 2HB SER 70 -11.120 -9.625 -16.317 634 HB3 SER 70 1HB SER 70 -12.760 -9.168 -15.851 635 HG SER 70 HG SER 70 -13.211 -9.192 -18.190 636 H GLN 71 H GLN 71 -9.225 -7.398 -16.286 637 HA GLN 71 HA GLN 71 -9.674 -6.069 -13.664 638 HB2 GLN 71 2HB GLN 71 -7.779 -7.444 -12.765 639 HB3 GLN 71 1HB GLN 71 -9.182 -8.408 -13.218 640 HG2 GLN 71 2HG GLN 71 -8.104 -9.148 -15.253 641 HG3 GLN 71 1HG GLN 71 -6.747 -8.051 -14.981 642 HE21 GLN 71 1HE2 GLN 71 -5.220 -9.686 -14.984 643 HE22 GLN 71 2HE2 GLN 71 -5.078 -10.844 -13.713 644 H SER 72 H SER 72 -9.243 -4.477 -15.787 645 HA SER 72 HA SER 72 -6.465 -4.147 -16.520 646 HB2 SER 72 2HB SER 72 -8.891 -2.385 -17.103 647 HB3 SER 72 1HB SER 72 -7.278 -2.169 -17.798 648 HG SER 72 HG SER 72 -9.197 -3.699 -18.717 649 H THR 73 H THR 73 -8.843 -2.181 -14.709 650 HA THR 73 HA THR 73 -7.005 -0.101 -14.018 651 HB THR 73 HB THR 73 -9.461 0.281 -14.303 652 HG1 THR 73 HG1 THR 73 -9.463 1.200 -11.824 653 HG21 THR 73 3HG2 THR 73 -10.318 -1.790 -13.210 654 HG22 THR 73 1HG2 THR 73 -11.066 -0.332 -12.549 655 HG23 THR 73 2HG2 THR 73 -9.799 -1.165 -11.646 656 H TYR 74 H TYR 74 -7.918 -3.132 -12.548 657 HA TYR 74 HA TYR 74 -7.256 -2.349 -9.837 658 HB2 TYR 74 2HB TYR 74 -9.128 -3.937 -10.394 659 HB3 TYR 74 1HB TYR 74 -7.923 -5.126 -10.887 660 HD1 TYR 74 HD1 TYR 74 -8.153 -2.788 -7.977 661 HD2 TYR 74 HD2 TYR 74 -7.868 -6.847 -9.238 662 HE1 TYR 74 HE1 TYR 74 -8.002 -3.503 -5.655 663 HE2 TYR 74 HE2 TYR 74 -7.709 -7.561 -6.900 664 HH TYR 74 HH TYR 74 -8.336 -5.422 -4.306 665 H THR 75 H THR 75 -5.648 -4.071 -12.466 666 HA THR 75 HA THR 75 -3.553 -5.229 -10.916 667 HB THR 75 HB THR 75 -3.629 -4.505 -13.877 668 HG1 THR 75 HG1 THR 75 -4.853 -6.226 -13.954 669 HG21 THR 75 3HG2 THR 75 -1.283 -4.776 -13.151 670 HG22 THR 75 1HG2 THR 75 -1.782 -6.146 -14.149 671 HG23 THR 75 2HG2 THR 75 -1.684 -6.319 -12.394 672 H ASP 76 H ASP 76 -4.128 -2.020 -12.233 673 HA ASP 76 HA ASP 76 -1.619 -0.819 -11.974 674 HB2 ASP 76 2HB ASP 76 -3.623 0.331 -12.957 675 HB3 ASP 76 1HB ASP 76 -4.319 0.482 -11.347 676 H LEU 77 H LEU 77 -4.109 -1.477 -9.526 677 HA LEU 77 HA LEU 77 -2.887 -0.173 -7.343 678 HB2 LEU 77 2HB LEU 77 -5.248 -0.858 -7.290 679 HB3 LEU 77 1HB LEU 77 -4.790 -2.553 -7.353 680 HG LEU 77 HG LEU 77 -3.843 -2.446 -5.096 681 HD11 LEU 77 1HD1 LEU 77 -4.525 0.506 -5.077 682 HD12 LEU 77 2HD1 LEU 77 -2.906 -0.198 -5.099 683 HD13 LEU 77 3HD1 LEU 77 -3.947 -0.434 -3.699 684 HD21 LEU 77 3HD2 LEU 77 -6.593 -1.163 -5.173 685 HD22 LEU 77 1HD2 LEU 77 -5.875 -1.992 -3.789 686 HD23 LEU 77 2HD2 LEU 77 -6.238 -2.891 -5.255 687 H LEU 78 H LEU 78 -2.647 -3.546 -8.491 688 HA LEU 78 HA LEU 78 -0.953 -4.615 -6.518 689 HB2 LEU 78 2HB LEU 78 -2.172 -5.898 -8.335 690 HB3 LEU 78 1HB LEU 78 -0.986 -5.310 -9.486 691 HG LEU 78 HG LEU 78 0.810 -6.527 -8.222 692 HD11 LEU 78 1HD1 LEU 78 -0.188 -6.577 -5.994 693 HD12 LEU 78 2HD1 LEU 78 0.198 -8.208 -6.533 694 HD13 LEU 78 3HD1 LEU 78 -1.476 -7.645 -6.563 695 HD21 LEU 78 3HD2 LEU 78 0.190 -8.783 -8.963 696 HD22 LEU 78 1HD2 LEU 78 -0.228 -7.569 -10.173 697 HD23 LEU 78 2HD2 LEU 78 -1.489 -8.275 -9.156 698 H SER 79 H SER 79 -0.284 -2.761 -9.432 699 HA SER 79 HA SER 79 2.534 -2.873 -9.424 700 HB2 SER 79 2HB SER 79 0.785 -0.652 -10.551 701 HB3 SER 79 1HB SER 79 2.440 -1.043 -11.028 702 HG SER 79 HG SER 79 0.432 -3.002 -11.184 703 H VAL 80 H VAL 80 0.263 -0.480 -8.102 704 HA VAL 80 HA VAL 80 2.058 1.482 -7.214 705 HB VAL 80 HB VAL 80 -0.664 0.753 -6.000 706 HG11 VAL 80 1HG1 VAL 80 0.646 2.142 -4.437 707 HG12 VAL 80 2HG1 VAL 80 -0.700 3.063 -5.104 708 HG13 VAL 80 3HG1 VAL 80 0.938 3.332 -5.709 709 HG21 VAL 80 3HG2 VAL 80 -0.807 1.310 -8.391 710 HG22 VAL 80 1HG2 VAL 80 0.039 2.831 -8.110 711 HG23 VAL 80 2HG2 VAL 80 -1.563 2.566 -7.415 712 H ILE 81 H ILE 81 0.720 -1.342 -5.544 713 HA ILE 81 HA ILE 81 1.901 -1.005 -3.032 714 HB ILE 81 HB ILE 81 1.278 -3.676 -4.373 715 HG12 ILE 81 2HG1 ILE 81 -0.739 -2.326 -4.433 716 HG13 ILE 81 1HG1 ILE 81 -0.937 -3.533 -3.178 717 HG21 ILE 81 1HG2 ILE 81 2.657 -3.939 -2.370 718 HG22 ILE 81 2HG2 ILE 81 1.024 -4.528 -2.063 719 HG23 ILE 81 3HG2 ILE 81 1.529 -2.960 -1.428 720 HD11 ILE 81 3HD1 ILE 81 -1.852 -1.412 -2.488 721 HD12 ILE 81 1HD1 ILE 81 -0.312 -0.601 -2.771 722 HD13 ILE 81 2HD1 ILE 81 -0.458 -1.798 -1.480 723 H GLU 82 H GLU 82 3.071 -2.823 -5.868 724 HA GLU 82 HA GLU 82 5.352 -3.985 -4.660 725 HB2 GLU 82 2HB GLU 82 4.059 -4.621 -6.839 726 HB3 GLU 82 1HB GLU 82 5.048 -3.419 -7.642 727 HG2 GLU 82 2HG GLU 82 6.204 -5.797 -6.149 728 HG3 GLU 82 1HG GLU 82 5.777 -5.855 -7.850 729 H GLU 83 H GLU 83 4.877 -0.979 -6.486 730 HA GLU 83 HA GLU 83 7.586 -0.210 -6.791 731 HB2 GLU 83 2HB GLU 83 5.035 1.433 -6.850 732 HB3 GLU 83 1HB GLU 83 6.617 2.083 -7.276 733 HG2 GLU 83 2HG GLU 83 5.315 -0.266 -8.672 734 HG3 GLU 83 1HG GLU 83 5.186 1.400 -9.216 735 H MET 84 H MET 84 5.206 0.490 -4.261 736 HA MET 84 HA MET 84 6.734 2.396 -2.810 737 HB2 MET 84 2HB MET 84 4.460 0.559 -1.967 738 HB3 MET 84 1HB MET 84 5.166 1.755 -0.884 739 HG2 MET 84 2HG MET 84 4.542 3.531 -2.523 740 HG3 MET 84 1HG MET 84 3.727 2.301 -3.487 741 HE1 MET 84 3HE MET 84 2.464 0.443 -1.131 742 HE2 MET 84 1HE MET 84 1.552 0.914 -2.568 743 HE3 MET 84 2HE MET 84 0.871 1.179 -0.964 744 H GLY 85 H GLY 85 6.769 -1.099 -2.923 745 HA2 GLY 85 2HA GLY 85 7.956 -1.760 -0.494 746 HA3 GLY 85 1HA GLY 85 8.104 -2.690 -1.968 747 H LYS 86 H LYS 86 9.499 -0.267 -3.255 748 HA LYS 86 HA LYS 86 12.194 -0.806 -2.176 749 HB2 LYS 86 2HB LYS 86 11.333 0.448 -4.816 750 HB3 LYS 86 1HB LYS 86 13.002 0.378 -4.273 751 HG2 LYS 86 2HG LYS 86 12.882 -1.458 -5.700 752 HG3 LYS 86 1HG LYS 86 12.628 -2.202 -4.121 753 HD2 LYS 86 2HD LYS 86 11.070 -3.104 -5.796 754 HD3 LYS 86 1HD LYS 86 10.193 -2.247 -4.526 755 HE2 LYS 86 2HE LYS 86 9.766 -0.373 -5.949 756 HE3 LYS 86 1HE LYS 86 10.937 -0.918 -7.155 757 HZ1 LYS 86 3HZ LYS 86 9.511 -2.761 -7.706 758 HZ2 LYS 86 1HZ LYS 86 8.613 -1.336 -7.797 759 HZ3 LYS 86 2HZ LYS 86 8.433 -2.364 -6.476 760 H GLU 87 H GLU 87 9.778 1.714 -2.325 761 HA GLU 87 HA GLU 87 11.596 3.948 -2.083 762 HB2 GLU 87 2HB GLU 87 8.567 3.805 -1.755 763 HB3 GLU 87 1HB GLU 87 9.505 5.296 -1.757 764 HG2 GLU 87 2HG GLU 87 9.177 3.359 -4.062 765 HG3 GLU 87 1HG GLU 87 8.487 4.977 -3.935 766 H ILE 88 H ILE 88 10.271 1.712 0.079 767 HA ILE 88 HA ILE 88 10.040 3.167 2.488 768 HB ILE 88 HB ILE 88 10.720 0.226 2.012 769 HG12 ILE 88 2HG1 ILE 88 7.997 1.453 2.637 770 HG13 ILE 88 1HG1 ILE 88 8.546 1.106 1.005 771 HG21 ILE 88 1HG2 ILE 88 9.843 -0.179 4.308 772 HG22 ILE 88 2HG2 ILE 88 9.736 1.562 4.560 773 HG23 ILE 88 3HG2 ILE 88 11.309 0.805 4.308 774 HD11 ILE 88 3HD1 ILE 88 8.100 -0.898 3.199 775 HD12 ILE 88 1HD1 ILE 88 8.729 -1.269 1.590 776 HD13 ILE 88 2HD1 ILE 88 7.103 -0.622 1.776 777 H ARG 89 H ARG 89 12.769 1.534 0.933 778 HA ARG 89 HA ARG 89 14.543 1.532 3.132 779 HB2 ARG 89 2HB ARG 89 15.354 1.474 0.196 780 HB3 ARG 89 1HB ARG 89 16.312 0.918 1.565 781 HG2 ARG 89 2HG ARG 89 14.852 -0.951 1.945 782 HG3 ARG 89 1HG ARG 89 13.648 -0.320 0.818 783 HD2 ARG 89 2HD ARG 89 15.254 -0.632 -1.054 784 HD3 ARG 89 1HD ARG 89 16.430 -1.312 0.079 785 HE ARG 89 HE ARG 89 14.122 -2.820 0.361 786 HH11 ARG 89 1HH1 ARG 89 16.408 -2.140 -2.231 787 HH12 ARG 89 2HH1 ARG 89 16.154 -3.658 -3.029 788 HH21 ARG 89 1HH2 ARG 89 13.766 -4.791 -0.697 789 HH22 ARG 89 2HH2 ARG 89 14.638 -5.179 -2.147 790 HA PRO 90 HA PRO 90 16.577 5.617 1.405 791 HB2 PRO 90 2HB PRO 90 15.193 7.123 -0.478 792 HB3 PRO 90 1HB PRO 90 16.424 5.908 -0.883 793 HG2 PRO 90 2HG PRO 90 13.445 5.645 -0.927 794 HG3 PRO 90 1HG PRO 90 14.650 5.041 -2.086 795 HD2 PRO 90 2HD PRO 90 13.504 3.443 -0.225 796 HD3 PRO 90 1HD PRO 90 15.167 3.200 -0.796 797 H THR 91 H THR 91 12.999 5.588 1.655 798 HA THR 91 HA THR 91 12.610 8.018 3.027 799 HB THR 91 HB THR 91 11.108 5.369 3.269 800 HG1 THR 91 HG1 THR 91 10.231 6.046 1.477 801 HG21 THR 91 3HG2 THR 91 10.213 8.109 4.265 802 HG22 THR 91 1HG2 THR 91 10.623 6.730 5.293 803 HG23 THR 91 2HG2 THR 91 9.218 6.651 4.230 804 H TYR 92 H TYR 92 13.317 4.770 4.283 805 HA TYR 92 HA TYR 92 13.593 5.356 7.005 806 HB2 TYR 92 2HB TYR 92 13.348 3.053 6.154 807 HB3 TYR 92 1HB TYR 92 14.911 3.149 5.347 808 HD1 TYR 92 HD2 TYR 92 13.363 3.440 8.752 809 HD2 TYR 92 HD1 TYR 92 16.826 2.332 6.514 810 HE1 TYR 92 HE2 TYR 92 14.455 2.700 10.804 811 HE2 TYR 92 HE1 TYR 92 17.923 1.586 8.579 812 HH TYR 92 HH TYR 92 16.247 1.427 11.614 813 H ALA 93 H ALA 93 15.741 6.019 4.361 814 HA ALA 93 HA ALA 93 18.060 6.543 6.103 815 HB1 ALA 93 3HB ALA 93 17.796 6.636 3.079 816 HB2 ALA 93 1HB ALA 93 18.408 5.277 4.023 817 HB3 ALA 93 2HB ALA 93 19.295 6.802 4.000 818 H GLY 94 H GLY 94 15.365 8.205 5.499 819 HA2 GLY 94 2HA GLY 94 14.909 10.390 6.075 820 HA3 GLY 94 1HA GLY 94 16.616 10.770 6.010 821 H SER 95 H SER 95 15.869 9.311 3.085 822 HA SER 95 HA SER 95 15.920 11.732 1.596 823 HB2 SER 95 2HB SER 95 15.064 8.972 0.634 824 HB3 SER 95 1HB SER 95 15.617 10.316 -0.372 825 HG SER 95 HG SER 95 17.539 9.536 -0.076 826 H LYS 96 H LYS 96 14.229 13.117 2.022 827 HA LYS 96 HA LYS 96 11.514 12.393 2.367 828 HB2 LYS 96 2HB LYS 96 10.985 14.705 2.448 829 HB3 LYS 96 1HB LYS 96 12.567 14.534 3.195 830 HG2 LYS 96 2HG LYS 96 13.664 15.420 1.204 831 HG3 LYS 96 1HG LYS 96 12.128 15.481 0.334 832 HD2 LYS 96 2HD LYS 96 12.955 17.159 2.736 833 HD3 LYS 96 1HD LYS 96 12.675 17.724 1.092 834 HE2 LYS 96 2HE LYS 96 10.588 16.676 3.033 835 HE3 LYS 96 1HE LYS 96 10.789 18.342 2.496 836 HZ1 LYS 96 3HZ LYS 96 10.028 16.063 0.753 837 HZ2 LYS 96 1HZ LYS 96 10.181 17.672 0.271 838 HZ3 LYS 96 2HZ LYS 96 8.978 17.229 1.362 839 H SER 97 H SER 97 13.376 12.948 -0.519 840 HA SER 97 HA SER 97 11.290 13.592 -2.329 841 HB2 SER 97 2HB SER 97 13.934 12.178 -2.900 842 HB3 SER 97 1HB SER 97 12.882 12.932 -4.105 843 HG SER 97 HG SER 97 14.090 14.256 -1.916 844 H ALA 98 H ALA 98 12.811 10.510 -1.423 845 HA ALA 98 HA ALA 98 11.093 8.777 -2.889 846 HB1 ALA 98 3HB ALA 98 13.322 8.097 -2.150 847 HB2 ALA 98 1HB ALA 98 12.095 6.997 -1.521 848 HB3 ALA 98 2HB ALA 98 12.820 8.215 -0.464 849 H MET 99 H MET 99 11.046 10.084 0.413 850 HA MET 99 HA MET 99 8.908 8.601 1.470 851 HB2 MET 99 2HB MET 99 10.379 10.050 2.868 852 HB3 MET 99 1HB MET 99 9.687 11.482 2.115 853 HG2 MET 99 2HG MET 99 7.450 10.806 3.038 854 HG3 MET 99 1HG MET 99 8.260 9.502 3.908 855 HE1 MET 99 3HE MET 99 8.929 14.005 4.723 856 HE2 MET 99 1HE MET 99 7.808 13.375 3.516 857 HE3 MET 99 2HE MET 99 9.549 13.231 3.267 858 H GLU 100 H GLU 100 8.993 11.499 -0.554 859 HA GLU 100 HA GLU 100 6.250 12.210 -0.445 860 HB2 GLU 100 2HB GLU 100 8.063 13.716 -1.317 861 HB3 GLU 100 1HB GLU 100 8.237 12.672 -2.725 862 HG2 GLU 100 2HG GLU 100 5.767 13.156 -3.217 863 HG3 GLU 100 1HG GLU 100 5.865 14.414 -1.983 864 H ARG 101 H ARG 101 8.085 9.949 -2.411 865 HA ARG 101 HA ARG 101 6.021 9.349 -4.336 866 HB2 ARG 101 2HB ARG 101 8.333 7.492 -3.640 867 HB3 ARG 101 1HB ARG 101 7.488 7.644 -5.175 868 HG2 ARG 101 2HG ARG 101 9.468 9.576 -3.961 869 HG3 ARG 101 1HG ARG 101 9.709 8.555 -5.373 870 HD2 ARG 101 2HD ARG 101 7.991 9.886 -6.591 871 HD3 ARG 101 1HD ARG 101 7.809 10.913 -5.162 872 HE ARG 101 HE ARG 101 10.523 10.741 -6.100 873 HH11 ARG 101 1HH1 ARG 101 7.493 12.459 -6.553 874 HH12 ARG 101 2HH1 ARG 101 8.242 13.871 -7.216 875 HH21 ARG 101 1HH2 ARG 101 11.517 12.548 -6.991 876 HH22 ARG 101 2HH2 ARG 101 10.563 13.918 -7.470 877 H LEU 102 H LEU 102 7.252 7.913 -1.386 878 HA LEU 102 HA LEU 102 5.784 5.500 -1.375 879 HB2 LEU 102 2HB LEU 102 7.899 5.907 -0.112 880 HB3 LEU 102 1HB LEU 102 7.072 7.072 0.908 881 HG LEU 102 HG LEU 102 5.671 5.259 1.855 882 HD11 LEU 102 1HD1 LEU 102 5.572 3.727 -0.030 883 HD12 LEU 102 2HD1 LEU 102 6.156 2.901 1.410 884 HD13 LEU 102 3HD1 LEU 102 7.293 3.363 0.140 885 HD21 LEU 102 3HD2 LEU 102 7.760 5.872 2.981 886 HD22 LEU 102 1HD2 LEU 102 8.647 4.680 2.024 887 HD23 LEU 102 2HD2 LEU 102 7.416 4.157 3.175 888 H LYS 103 H LYS 103 5.289 8.596 0.368 889 HA LYS 103 HA LYS 103 2.816 8.152 1.527 890 HB2 LYS 103 2HB LYS 103 4.080 10.697 0.442 891 HB3 LYS 103 1HB LYS 103 2.560 10.707 1.332 892 HG2 LYS 103 2HG LYS 103 5.164 9.622 2.464 893 HG3 LYS 103 1HG LYS 103 4.610 11.281 2.687 894 HD2 LYS 103 2HD LYS 103 3.044 8.828 3.579 895 HD3 LYS 103 1HD LYS 103 4.112 9.756 4.630 896 HE2 LYS 103 2HE LYS 103 1.624 10.810 3.250 897 HE3 LYS 103 1HE LYS 103 1.774 10.414 4.963 898 HZ1 LYS 103 3HZ LYS 103 1.984 12.788 4.507 899 HZ2 LYS 103 1HZ LYS 103 3.350 12.504 3.559 900 HZ3 LYS 103 2HZ LYS 103 3.384 12.166 5.215 901 H ARG 104 H ARG 104 3.472 9.729 -1.636 902 HA ARG 104 HA ARG 104 0.826 10.040 -2.471 903 HB2 ARG 104 2HB ARG 104 2.863 11.046 -3.579 904 HB3 ARG 104 1HB ARG 104 3.208 9.475 -4.297 905 HG2 ARG 104 2HG ARG 104 0.975 9.570 -5.442 906 HG3 ARG 104 1HG ARG 104 0.750 11.185 -4.774 907 HD2 ARG 104 2HD ARG 104 2.783 11.943 -6.011 908 HD3 ARG 104 1HD ARG 104 2.905 10.333 -6.735 909 HE ARG 104 HE ARG 104 0.418 11.849 -7.053 910 HH11 ARG 104 1HH1 ARG 104 3.326 10.641 -8.609 911 HH12 ARG 104 2HH1 ARG 104 2.720 10.906 -10.215 912 HH21 ARG 104 1HH2 ARG 104 -0.393 12.160 -9.135 913 HH22 ARG 104 2HH2 ARG 104 0.592 11.776 -10.512 914 H GLY 105 H GLY 105 2.916 7.242 -2.561 915 HA2 GLY 105 2HA GLY 105 1.429 5.509 -4.211 916 HA3 GLY 105 1HA GLY 105 2.551 5.031 -2.943 917 H ILE 106 H ILE 106 1.307 6.114 -0.681 918 HA ILE 106 HA ILE 106 -0.769 4.246 -0.159 919 HB ILE 106 HB ILE 106 0.508 6.460 1.429 920 HG12 ILE 106 2HG1 ILE 106 0.741 4.632 3.149 921 HG13 ILE 106 1HG1 ILE 106 -0.087 3.532 2.059 922 HG21 ILE 106 1HG2 ILE 106 -1.069 6.216 3.335 923 HG22 ILE 106 2HG2 ILE 106 -2.141 5.256 2.314 924 HG23 ILE 106 3HG2 ILE 106 -1.836 6.948 1.919 925 HD11 ILE 106 3HD1 ILE 106 2.311 3.198 2.076 926 HD12 ILE 106 1HD1 ILE 106 2.562 4.863 1.564 927 HD13 ILE 106 2HD1 ILE 106 1.766 3.720 0.482 928 H ILE 107 H ILE 107 -0.890 7.777 -0.886 929 HA ILE 107 HA ILE 107 -3.682 8.147 -0.545 930 HB ILE 107 HB ILE 107 -1.638 9.632 -2.263 931 HG12 ILE 107 2HG1 ILE 107 -2.136 11.543 -0.704 932 HG13 ILE 107 1HG1 ILE 107 -3.252 10.518 0.185 933 HG21 ILE 107 1HG2 ILE 107 -3.725 9.792 -3.525 934 HG22 ILE 107 2HG2 ILE 107 -3.390 11.351 -2.773 935 HG23 ILE 107 3HG2 ILE 107 -4.610 10.279 -2.078 936 HD11 ILE 107 3HD1 ILE 107 -1.155 10.793 1.357 937 HD12 ILE 107 1HD1 ILE 107 -0.266 10.153 -0.026 938 HD13 ILE 107 2HD1 ILE 107 -1.366 9.108 0.878 939 H HIS 108 H HIS 108 -1.761 7.313 -3.373 940 HA HIS 108 HA HIS 108 -3.794 7.129 -5.329 941 HB2 HIS 108 2HB HIS 108 -1.343 7.361 -5.824 942 HB3 HIS 108 1HB HIS 108 -1.089 5.713 -5.269 943 HD1 HIS 108 HD1 HIS 108 -0.030 5.710 -7.769 944 HD2 HIS 108 HD2 HIS 108 -4.159 5.736 -7.515 945 HE1 HIS 108 HE1 HIS 108 -0.835 4.877 -9.983 946 HE2 HIS 108 HE2 HIS 108 -3.315 4.645 -9.691 947 H ALA 109 H ALA 109 -2.253 4.671 -3.268 948 HA ALA 109 HA ALA 109 -3.598 2.420 -4.371 949 HB1 ALA 109 3HB ALA 109 -1.470 2.193 -3.170 950 HB2 ALA 109 1HB ALA 109 -2.713 1.179 -2.438 951 HB3 ALA 109 2HB ALA 109 -2.240 2.698 -1.666 952 H ARG 110 H ARG 110 -4.235 4.493 -1.573 953 HA ARG 110 HA ARG 110 -6.352 3.014 -0.398 954 HB2 ARG 110 2HB ARG 110 -4.987 4.835 0.706 955 HB3 ARG 110 1HB ARG 110 -5.845 6.027 -0.263 956 HG2 ARG 110 2HG ARG 110 -7.976 5.355 0.835 957 HG3 ARG 110 1HG ARG 110 -7.086 4.192 1.823 958 HD2 ARG 110 2HD ARG 110 -5.744 6.091 2.770 959 HD3 ARG 110 1HD ARG 110 -6.749 7.218 1.846 960 HE ARG 110 HE ARG 110 -8.519 5.700 3.331 961 HH11 ARG 110 1HH1 ARG 110 -5.830 7.882 4.042 962 HH12 ARG 110 2HH1 ARG 110 -6.473 8.367 5.583 963 HH21 ARG 110 1HH2 ARG 110 -9.314 6.275 5.369 964 HH22 ARG 110 2HH2 ARG 110 -8.475 7.444 6.341 965 H ALA 111 H ALA 111 -6.248 5.585 -2.813 966 HA ALA 111 HA ALA 111 -9.029 6.046 -3.095 967 HB1 ALA 111 3HB ALA 111 -8.423 7.169 -5.209 968 HB2 ALA 111 1HB ALA 111 -6.792 6.487 -5.101 969 HB3 ALA 111 2HB ALA 111 -7.346 7.649 -3.895 970 H LEU 112 H LEU 112 -6.748 3.855 -4.660 971 HA LEU 112 HA LEU 112 -8.520 2.845 -6.677 972 HB2 LEU 112 2HB LEU 112 -5.908 1.748 -5.562 973 HB3 LEU 112 1HB LEU 112 -6.783 0.967 -6.873 974 HG LEU 112 HG LEU 112 -5.641 3.790 -6.981 975 HD11 LEU 112 1HD1 LEU 112 -3.879 2.089 -6.936 976 HD12 LEU 112 2HD1 LEU 112 -3.967 2.875 -8.510 977 HD13 LEU 112 3HD1 LEU 112 -4.630 1.252 -8.299 978 HD21 LEU 112 3HD2 LEU 112 -6.190 3.740 -9.372 979 HD22 LEU 112 1HD2 LEU 112 -7.646 3.561 -8.391 980 HD23 LEU 112 2HD2 LEU 112 -6.944 2.152 -9.189 981 H VAL 113 H VAL 113 -7.557 1.629 -3.461 982 HA VAL 113 HA VAL 113 -9.058 -0.770 -3.479 983 HB VAL 113 HB VAL 113 -8.383 0.905 -1.002 984 HG11 VAL 113 1HG1 VAL 113 -10.061 -0.821 -0.538 985 HG12 VAL 113 2HG1 VAL 113 -8.526 -1.266 0.206 986 HG13 VAL 113 3HG1 VAL 113 -9.042 -2.057 -1.284 987 HG21 VAL 113 3HG2 VAL 113 -6.362 -0.475 -0.754 988 HG22 VAL 113 1HG2 VAL 113 -6.335 0.409 -2.278 989 HG23 VAL 113 2HG2 VAL 113 -6.724 -1.306 -2.269 990 H ARG 114 H ARG 114 -9.884 2.567 -2.659 991 HA ARG 114 HA ARG 114 -12.483 2.079 -1.591 992 HB2 ARG 114 2HB ARG 114 -10.907 4.217 -1.459 993 HB3 ARG 114 1HB ARG 114 -11.732 4.700 -2.922 994 HG2 ARG 114 2HG ARG 114 -12.992 4.218 -0.203 995 HG3 ARG 114 1HG ARG 114 -12.699 5.776 -0.964 996 HD2 ARG 114 2HD ARG 114 -14.688 3.664 -1.839 997 HD3 ARG 114 1HD ARG 114 -15.045 5.250 -1.142 998 HE ARG 114 HE ARG 114 -13.691 5.996 -3.297 999 HH11 ARG 114 1HH1 ARG 114 -16.278 3.629 -3.026 1000 HH12 ARG 114 2HH1 ARG 114 -16.831 3.869 -4.654 1001 HH21 ARG 114 1HH2 ARG 114 -14.359 6.223 -5.476 1002 HH22 ARG 114 2HH2 ARG 114 -15.749 5.341 -6.039 1003 H GLU 115 H GLU 115 -11.277 2.929 -4.868 1004 HA GLU 115 HA GLU 115 -13.738 3.014 -6.244 1005 HB2 GLU 115 2HB GLU 115 -11.026 2.079 -7.307 1006 HB3 GLU 115 1HB GLU 115 -12.413 2.507 -8.298 1007 HG2 GLU 115 2HG GLU 115 -10.879 4.405 -6.520 1008 HG3 GLU 115 1HG GLU 115 -10.683 4.258 -8.259 1009 H CYS 116 H CYS 116 -11.679 0.375 -5.216 1010 HA CYS 116 HA CYS 116 -13.055 -1.683 -6.697 1011 HB2 CYS 116 2HB CYS 116 -10.879 -1.849 -4.590 1012 HB3 CYS 116 1HB CYS 116 -11.468 -3.203 -5.559 1013 HG CYS 116 HG CYS 116 -10.330 -2.573 -7.831 1014 H LEU 117 H LEU 117 -13.367 -0.258 -3.488 1015 HA LEU 117 HA LEU 117 -14.888 -2.218 -2.182 1016 HB2 LEU 117 2HB LEU 117 -15.274 0.815 -2.101 1017 HB3 LEU 117 1HB LEU 117 -16.104 -0.299 -1.029 1018 HG LEU 117 HG LEU 117 -13.084 0.140 -1.096 1019 HD11 LEU 117 1HD1 LEU 117 -14.290 2.082 -0.202 1020 HD12 LEU 117 2HD1 LEU 117 -13.381 1.259 1.062 1021 HD13 LEU 117 3HD1 LEU 117 -15.132 1.048 0.957 1022 HD21 LEU 117 3HD2 LEU 117 -13.661 -2.154 -0.412 1023 HD22 LEU 117 1HD2 LEU 117 -14.733 -1.527 0.840 1024 HD23 LEU 117 2HD2 LEU 117 -12.992 -1.234 0.927 1025 H ALA 118 H ALA 118 -15.723 0.018 -4.739 1026 HA ALA 118 HA ALA 118 -18.502 -0.323 -4.919 1027 HB1 ALA 118 3HB ALA 118 -16.543 0.255 -7.165 1028 HB2 ALA 118 1HB ALA 118 -17.268 1.457 -6.097 1029 HB3 ALA 118 2HB ALA 118 -18.284 0.540 -7.211 1030 H GLU 119 H GLU 119 -15.970 -1.945 -6.953 1031 HA GLU 119 HA GLU 119 -17.738 -3.809 -8.109 1032 HB2 GLU 119 2HB GLU 119 -15.765 -4.843 -9.063 1033 HB3 GLU 119 1HB GLU 119 -15.605 -3.094 -9.138 1034 HG2 GLU 119 2HG GLU 119 -14.075 -3.129 -7.226 1035 HG3 GLU 119 1HG GLU 119 -14.267 -4.873 -7.078 1036 H THR 120 H THR 120 -16.023 -3.899 -5.085 1037 HA THR 120 HA THR 120 -16.264 -6.735 -4.577 1038 HB THR 120 HB THR 120 -15.706 -4.409 -2.658 1039 HG1 THR 120 HG1 THR 120 -14.155 -5.085 -4.457 1040 HG21 THR 120 3HG2 THR 120 -14.837 -6.139 -1.094 1041 HG22 THR 120 1HG2 THR 120 -15.379 -7.411 -2.191 1042 HG23 THR 120 2HG2 THR 120 -16.559 -6.363 -1.397 1043 H GLU 121 H GLU 121 -18.236 -3.861 -4.125 1044 HA GLU 121 HA GLU 121 -20.267 -5.149 -2.515 1045 HB2 GLU 121 2HB GLU 121 -19.967 -2.700 -2.438 1046 HB3 GLU 121 1HB GLU 121 -20.380 -2.564 -4.143 1047 HG2 GLU 121 2HG GLU 121 -22.663 -3.447 -3.606 1048 HG3 GLU 121 1HG GLU 121 -22.220 -3.470 -1.899 1049 H ARG 122 H ARG 122 -19.539 -4.768 -5.931 1050 HA ARG 122 HA ARG 122 -22.179 -5.190 -6.963 1051 HB2 ARG 122 2HB ARG 122 -20.572 -3.842 -8.195 1052 HB3 ARG 122 1HB ARG 122 -19.390 -5.138 -8.226 1053 HG2 ARG 122 2HG ARG 122 -22.052 -5.594 -9.571 1054 HG3 ARG 122 1HG ARG 122 -20.887 -4.533 -10.360 1055 HD2 ARG 122 2HD ARG 122 -19.250 -6.320 -10.477 1056 HD3 ARG 122 1HD ARG 122 -20.275 -7.392 -9.518 1057 HE ARG 122 HE ARG 122 -21.605 -6.509 -11.870 1058 HH11 ARG 122 1HH1 ARG 122 -19.201 -8.846 -10.785 1059 HH12 ARG 122 2HH1 ARG 122 -19.506 -9.936 -12.107 1060 HH21 ARG 122 1HH2 ARG 122 -21.992 -7.932 -13.547 1061 HH22 ARG 122 2HH2 ARG 122 -21.093 -9.408 -13.670 1062 H ASN 123 H ASN 123 -19.220 -7.145 -6.605 1063 HA ASN 123 HA ASN 123 -20.472 -9.657 -7.317 1064 HB2 ASN 123 2HB ASN 123 -17.876 -9.105 -5.775 1065 HB3 ASN 123 1HB ASN 123 -18.364 -10.672 -6.410 1066 HD21 ASN 123 1HD2 ASN 123 -15.988 -8.979 -6.921 1067 HD22 ASN 123 2HD2 ASN 123 -15.925 -8.782 -8.641 1068 H ALA 124 H ALA 124 -21.603 -10.992 -5.903 1069 HA ALA 124 HA ALA 124 -22.618 -10.042 -3.433 1070 HB1 ALA 124 3HB ALA 124 -23.865 -11.609 -4.891 1071 HB2 ALA 124 1HB ALA 124 -23.725 -12.239 -3.247 1072 HB3 ALA 124 2HB ALA 124 -22.700 -12.884 -4.534 1073 H ARG 125 H ARG 125 -21.645 -9.978 -1.516 1074 HA ARG 125 HA ARG 125 -19.833 -12.128 -0.627 1075 HB2 ARG 125 2HB ARG 125 -18.448 -10.230 -1.599 1076 HB3 ARG 125 1HB ARG 125 -19.123 -9.153 -0.385 1077 HG2 ARG 125 2HG ARG 125 -16.887 -9.876 0.249 1078 HG3 ARG 125 1HG ARG 125 -18.070 -10.496 1.401 1079 HD2 ARG 125 2HD ARG 125 -16.232 -12.122 0.687 1080 HD3 ARG 125 1HD ARG 125 -17.886 -12.716 0.535 1081 HE ARG 125 HE ARG 125 -17.551 -12.943 -1.702 1082 HH11 ARG 125 1HH1 ARG 125 -15.147 -10.588 -0.609 1083 HH12 ARG 125 2HH1 ARG 125 -14.409 -10.462 -2.174 1084 HH21 ARG 125 1HH2 ARG 125 -16.604 -12.687 -3.733 1085 HH22 ARG 125 2HH2 ARG 125 -15.233 -11.640 -3.929 1086 H THR 126 H THR 126 -21.710 -12.696 0.608 1087 HA THR 126 HA THR 126 -21.403 -12.060 3.276 1088 HB THR 126 HB THR 126 -22.523 -9.958 2.958 1089 HG1 THR 126 HG1 THR 126 -24.487 -11.610 4.151 1090 HG21 THR 126 3HG2 THR 126 -23.817 -10.370 0.909 1091 HG22 THR 126 1HG2 THR 126 -24.853 -9.723 2.184 1092 HG23 THR 126 2HG2 THR 126 -24.898 -11.444 1.802 Start of MODEL 7 1 H1 SER 58 1H SER 58 -7.159 -3.525 30.873 2 H2 SER 58 2H SER 58 -7.972 -2.524 29.772 3 H3 SER 58 3H SER 58 -6.916 -3.718 29.208 4 HA SER 58 HA SER 58 -8.324 -5.441 30.041 5 HB2 SER 58 2HB SER 58 -9.292 -4.234 31.964 6 HB3 SER 58 1HB SER 58 -10.155 -3.144 30.880 7 HG SER 58 HG SER 58 -11.616 -4.636 30.520 8 H HIS 59 H HIS 59 -9.379 -6.401 28.419 9 HA HIS 59 HA HIS 59 -11.132 -5.025 26.596 10 HB2 HIS 59 2HB HIS 59 -8.967 -4.506 25.534 11 HB3 HIS 59 1HB HIS 59 -8.504 -6.205 25.564 12 HD1 HIS 59 HD1 HIS 59 -9.522 -7.738 23.749 13 HD2 HIS 59 HD2 HIS 59 -10.830 -3.800 23.513 14 HE1 HIS 59 HE1 HIS 59 -10.667 -7.541 21.535 15 HE2 HIS 59 HE2 HIS 59 -11.239 -5.114 21.325 16 H MET 60 H MET 60 -12.742 -6.428 27.103 17 HA MET 60 HA MET 60 -12.330 -9.326 26.611 18 HB2 MET 60 2HB MET 60 -14.460 -7.959 28.327 19 HB3 MET 60 1HB MET 60 -14.365 -9.691 28.025 20 HG2 MET 60 2HG MET 60 -12.302 -8.039 29.500 21 HG3 MET 60 1HG MET 60 -13.497 -9.101 30.238 22 HE1 MET 60 3HE MET 60 -13.492 -11.810 29.855 23 HE2 MET 60 1HE MET 60 -12.227 -12.646 28.953 24 HE3 MET 60 2HE MET 60 -13.377 -11.616 28.104 25 H ALA 61 H ALA 61 -12.568 -8.975 24.336 26 HA ALA 61 HA ALA 61 -15.309 -8.879 23.366 27 HB1 ALA 61 3HB ALA 61 -14.728 -6.485 23.447 28 HB2 ALA 61 1HB ALA 61 -14.901 -7.033 21.781 29 HB3 ALA 61 2HB ALA 61 -13.293 -6.786 22.467 30 H MET 62 H MET 62 -15.309 -10.651 22.169 31 HA MET 62 HA MET 62 -13.164 -11.152 20.168 32 HB2 MET 62 2HB MET 62 -14.886 -13.206 21.647 33 HB3 MET 62 1HB MET 62 -13.707 -13.580 20.397 34 HG2 MET 62 2HG MET 62 -11.890 -12.834 21.851 35 HG3 MET 62 1HG MET 62 -13.061 -12.359 23.086 36 HE1 MET 62 3HE MET 62 -11.920 -13.762 24.965 37 HE2 MET 62 1HE MET 62 -10.637 -14.287 23.877 38 HE3 MET 62 2HE MET 62 -11.517 -15.473 24.844 39 H LYS 63 H LYS 63 -14.365 -12.973 18.598 40 HA LYS 63 HA LYS 63 -15.871 -13.442 16.990 41 HB2 LYS 63 2HB LYS 63 -17.883 -12.115 18.851 42 HB3 LYS 63 1HB LYS 63 -18.300 -13.104 17.462 43 HG2 LYS 63 2HG LYS 63 -16.839 -14.058 19.943 44 HG3 LYS 63 1HG LYS 63 -18.538 -14.347 19.573 45 HD2 LYS 63 2HD LYS 63 -16.178 -15.361 17.944 46 HD3 LYS 63 1HD LYS 63 -17.123 -16.326 19.076 47 HE2 LYS 63 2HE LYS 63 -19.123 -16.046 17.679 48 HE3 LYS 63 1HE LYS 63 -18.224 -15.006 16.570 49 HZ1 LYS 63 3HZ LYS 63 -17.701 -17.887 17.091 50 HZ2 LYS 63 1HZ LYS 63 -16.752 -16.894 16.093 51 HZ3 LYS 63 2HZ LYS 63 -18.358 -17.219 15.685 52 HA PRO 64 HA PRO 64 -15.628 -9.264 14.994 53 HB2 PRO 64 2HB PRO 64 -14.495 -10.096 12.646 54 HB3 PRO 64 1HB PRO 64 -13.535 -9.816 14.112 55 HG2 PRO 64 2HG PRO 64 -14.512 -12.404 12.963 56 HG3 PRO 64 1HG PRO 64 -12.935 -12.008 13.686 57 HD2 PRO 64 2HD PRO 64 -14.930 -13.315 15.053 58 HD3 PRO 64 1HD PRO 64 -13.692 -12.320 15.841 59 HA PRO 65 HA PRO 65 -19.624 -10.509 13.129 60 HB2 PRO 65 2HB PRO 65 -20.984 -8.219 13.483 61 HB3 PRO 65 1HB PRO 65 -20.457 -9.167 14.890 62 HG2 PRO 65 2HG PRO 65 -19.163 -6.737 13.676 63 HG3 PRO 65 1HG PRO 65 -19.529 -7.068 15.388 64 HD2 PRO 65 2HD PRO 65 -17.054 -7.496 14.257 65 HD3 PRO 65 1HD PRO 65 -17.656 -8.404 15.659 66 H GLY 66 H GLY 66 -17.307 -8.491 11.794 67 HA2 GLY 66 2HA GLY 66 -17.032 -8.041 9.482 68 HA3 GLY 66 1HA GLY 66 -18.777 -8.094 9.266 69 H ALA 67 H ALA 67 -18.161 -6.067 8.048 70 HA ALA 67 HA ALA 67 -18.362 -3.701 9.821 71 HB1 ALA 67 3HB ALA 67 -16.768 -2.473 8.411 72 HB2 ALA 67 1HB ALA 67 -16.505 -3.904 7.406 73 HB3 ALA 67 2HB ALA 67 -16.008 -3.901 9.099 74 H GLN 68 H GLN 68 -18.090 -4.091 6.293 75 HA GLN 68 HA GLN 68 -20.611 -2.626 5.871 76 HB2 GLN 68 2HB GLN 68 -18.173 -3.225 4.153 77 HB3 GLN 68 1HB GLN 68 -19.673 -2.689 3.413 78 HG2 GLN 68 2HG GLN 68 -18.140 -0.823 3.686 79 HG3 GLN 68 1HG GLN 68 -19.577 -0.589 4.678 80 HE21 GLN 68 1HE2 GLN 68 -19.351 -0.521 6.904 81 HE22 GLN 68 2HE2 GLN 68 -17.821 -0.481 7.709 82 H GLY 69 H GLY 69 -21.095 -3.707 3.187 83 HA2 GLY 69 2HA GLY 69 -22.409 -6.211 3.822 84 HA3 GLY 69 1HA GLY 69 -22.417 -5.379 2.270 85 H SER 70 H SER 70 -21.188 -6.211 0.668 86 HA SER 70 HA SER 70 -19.673 -8.628 1.050 87 HB2 SER 70 2HB SER 70 -21.096 -8.208 -0.951 88 HB3 SER 70 1HB SER 70 -19.991 -6.933 -1.458 89 HG SER 70 HG SER 70 -19.121 -8.564 -2.488 90 H GLN 71 H GLN 71 -18.965 -5.217 0.796 91 HA GLN 71 HA GLN 71 -16.214 -5.249 0.215 92 HB2 GLN 71 2HB GLN 71 -17.815 -3.314 1.937 93 HB3 GLN 71 1HB GLN 71 -16.152 -3.033 1.422 94 HG2 GLN 71 2HG GLN 71 -16.855 -2.975 -0.913 95 HG3 GLN 71 1HG GLN 71 -18.507 -3.369 -0.448 96 HE21 GLN 71 1HE2 GLN 71 -18.483 -1.561 1.895 97 HE22 GLN 71 2HE2 GLN 71 -18.589 0.031 1.252 98 H SER 72 H SER 72 -17.932 -5.970 3.183 99 HA SER 72 HA SER 72 -16.249 -5.522 5.195 100 HB2 SER 72 2HB SER 72 -18.500 -6.501 5.402 101 HB3 SER 72 1HB SER 72 -17.877 -8.062 4.865 102 HG SER 72 HG SER 72 -17.162 -8.414 6.811 103 H THR 73 H THR 73 -15.611 -8.067 2.811 104 HA THR 73 HA THR 73 -13.501 -9.309 4.401 105 HB THR 73 HB THR 73 -14.790 -10.731 2.848 106 HG1 THR 73 HG1 THR 73 -12.274 -10.703 1.634 107 HG21 THR 73 3HG2 THR 73 -15.250 -9.088 1.044 108 HG22 THR 73 1HG2 THR 73 -14.558 -10.581 0.414 109 HG23 THR 73 2HG2 THR 73 -13.549 -9.141 0.570 110 H TYR 74 H TYR 74 -13.831 -7.039 1.790 111 HA TYR 74 HA TYR 74 -11.042 -6.875 1.069 112 HB2 TYR 74 2HB TYR 74 -13.083 -6.730 -0.473 113 HB3 TYR 74 1HB TYR 74 -13.374 -5.126 0.181 114 HD1 TYR 74 HD1 TYR 74 -11.070 -7.189 -1.873 115 HD2 TYR 74 HD2 TYR 74 -12.053 -3.257 -0.582 116 HE1 TYR 74 HE1 TYR 74 -9.602 -6.239 -3.595 117 HE2 TYR 74 HE2 TYR 74 -10.609 -2.312 -2.293 118 HH TYR 74 HH TYR 74 -9.442 -3.974 -4.857 119 H THR 75 H THR 75 -13.148 -5.302 3.303 120 HA THR 75 HA THR 75 -12.274 -2.672 3.446 121 HB THR 75 HB THR 75 -13.152 -4.387 5.829 122 HG1 THR 75 HG1 THR 75 -14.614 -3.210 3.710 123 HG21 THR 75 3HG2 THR 75 -13.436 -1.390 5.344 124 HG22 THR 75 1HG2 THR 75 -12.352 -2.157 6.509 125 HG23 THR 75 2HG2 THR 75 -14.098 -2.277 6.719 126 H ASP 76 H ASP 76 -10.818 -5.619 4.707 127 HA ASP 76 HA ASP 76 -8.965 -4.654 6.540 128 HB2 ASP 76 2HB ASP 76 -9.480 -7.071 6.068 129 HB3 ASP 76 1HB ASP 76 -8.539 -6.959 4.582 130 H LEU 77 H LEU 77 -8.616 -5.114 3.029 131 HA LEU 77 HA LEU 77 -5.948 -4.359 2.711 132 HB2 LEU 77 2HB LEU 77 -7.164 -5.520 0.955 133 HB3 LEU 77 1HB LEU 77 -8.297 -4.188 0.785 134 HG LEU 77 HG LEU 77 -6.590 -2.775 -0.232 135 HD11 LEU 77 1HD1 LEU 77 -4.604 -5.021 0.204 136 HD12 LEU 77 2HD1 LEU 77 -4.620 -3.457 1.023 137 HD13 LEU 77 3HD1 LEU 77 -4.311 -3.536 -0.708 138 HD21 LEU 77 3HD2 LEU 77 -6.177 -3.997 -2.319 139 HD22 LEU 77 1HD2 LEU 77 -7.808 -4.297 -1.729 140 HD23 LEU 77 2HD2 LEU 77 -6.559 -5.526 -1.525 141 H LEU 78 H LEU 78 -8.902 -2.388 2.492 142 HA LEU 78 HA LEU 78 -7.829 0.106 1.863 143 HB2 LEU 78 2HB LEU 78 -10.277 -0.569 1.934 144 HB3 LEU 78 1HB LEU 78 -10.208 -0.418 3.682 145 HG LEU 78 HG LEU 78 -9.574 2.029 3.355 146 HD11 LEU 78 1HD1 LEU 78 -10.098 3.079 1.189 147 HD12 LEU 78 2HD1 LEU 78 -10.357 1.487 0.473 148 HD13 LEU 78 3HD1 LEU 78 -8.758 1.942 1.067 149 HD21 LEU 78 3HD2 LEU 78 -11.882 2.766 2.915 150 HD22 LEU 78 1HD2 LEU 78 -11.835 1.382 4.004 151 HD23 LEU 78 2HD2 LEU 78 -12.286 1.156 2.318 152 H SER 79 H SER 79 -8.326 -1.416 5.021 153 HA SER 79 HA SER 79 -7.437 0.762 6.617 154 HB2 SER 79 2HB SER 79 -7.508 -2.192 7.340 155 HB3 SER 79 1HB SER 79 -7.528 -0.828 8.460 156 HG SER 79 HG SER 79 -9.575 -1.984 7.080 157 H VAL 80 H VAL 80 -5.764 -2.076 5.207 158 HA VAL 80 HA VAL 80 -3.349 -1.918 6.660 159 HB VAL 80 HB VAL 80 -3.811 -3.065 3.857 160 HG11 VAL 80 1HG1 VAL 80 -1.683 -4.321 4.156 161 HG12 VAL 80 2HG1 VAL 80 -1.366 -3.445 5.656 162 HG13 VAL 80 3HG1 VAL 80 -1.412 -2.581 4.119 163 HG21 VAL 80 3HG2 VAL 80 -5.098 -4.216 5.605 164 HG22 VAL 80 1HG2 VAL 80 -3.630 -4.484 6.549 165 HG23 VAL 80 2HG2 VAL 80 -3.834 -5.259 4.974 166 H ILE 81 H ILE 81 -4.339 -0.514 3.536 167 HA ILE 81 HA ILE 81 -1.987 0.798 2.844 168 HB ILE 81 HB ILE 81 -4.784 1.918 2.373 169 HG12 ILE 81 2HG1 ILE 81 -4.769 -0.410 1.626 170 HG13 ILE 81 1HG1 ILE 81 -4.802 0.650 0.232 171 HG21 ILE 81 1HG2 ILE 81 -3.773 2.885 0.326 172 HG22 ILE 81 2HG2 ILE 81 -2.197 2.276 0.831 173 HG23 ILE 81 3HG2 ILE 81 -3.026 3.493 1.801 174 HD11 ILE 81 3HD1 ILE 81 -3.368 -1.242 -0.165 175 HD12 ILE 81 1HD1 ILE 81 -2.411 -0.874 1.271 176 HD13 ILE 81 2HD1 ILE 81 -2.397 0.227 -0.110 177 H GLU 82 H GLU 82 -4.659 1.910 4.885 178 HA GLU 82 HA GLU 82 -3.589 4.515 5.420 179 HB2 GLU 82 2HB GLU 82 -5.759 2.923 6.856 180 HB3 GLU 82 1HB GLU 82 -5.448 4.645 7.090 181 HG2 GLU 82 2HG GLU 82 -6.001 5.075 4.716 182 HG3 GLU 82 1HG GLU 82 -6.294 3.355 4.478 183 H GLU 83 H GLU 83 -3.267 1.400 7.034 184 HA GLU 83 HA GLU 83 -2.089 2.233 9.474 185 HB2 GLU 83 2HB GLU 83 -1.724 -0.343 7.865 186 HB3 GLU 83 1HB GLU 83 -1.009 -0.094 9.458 187 HG2 GLU 83 2HG GLU 83 -3.226 0.084 10.471 188 HG3 GLU 83 1HG GLU 83 -3.985 -0.026 8.885 189 H MET 84 H MET 84 -0.673 1.112 6.438 190 HA MET 84 HA MET 84 1.997 1.638 6.961 191 HB2 MET 84 2HB MET 84 0.473 1.493 4.324 192 HB3 MET 84 1HB MET 84 2.230 1.527 4.445 193 HG2 MET 84 2HG MET 84 2.152 -0.566 5.793 194 HG3 MET 84 1HG MET 84 0.404 -0.611 5.563 195 HE1 MET 84 3HE MET 84 0.153 -1.190 1.660 196 HE2 MET 84 1HE MET 84 0.109 0.372 2.481 197 HE3 MET 84 2HE MET 84 -0.772 -1.006 3.147 198 H GLY 85 H GLY 85 -0.546 3.725 5.651 199 HA2 GLY 85 2HA GLY 85 0.982 5.930 4.828 200 HA3 GLY 85 1HA GLY 85 -0.696 5.982 5.343 201 H LYS 86 H LYS 86 0.157 4.875 8.031 202 HA LYS 86 HA LYS 86 0.932 7.413 9.282 203 HB2 LYS 86 2HB LYS 86 0.106 4.747 10.510 204 HB3 LYS 86 1HB LYS 86 0.419 6.226 11.413 205 HG2 LYS 86 2HG LYS 86 -1.466 7.341 10.264 206 HG3 LYS 86 1HG LYS 86 -1.781 5.864 9.356 207 HD2 LYS 86 2HD LYS 86 -1.990 6.174 12.376 208 HD3 LYS 86 1HD LYS 86 -3.341 6.090 11.250 209 HE2 LYS 86 2HE LYS 86 -2.586 3.778 10.615 210 HE3 LYS 86 1HE LYS 86 -1.358 3.881 11.878 211 HZ1 LYS 86 3HZ LYS 86 -4.303 3.995 12.269 212 HZ2 LYS 86 1HZ LYS 86 -3.161 4.200 13.502 213 HZ3 LYS 86 2HZ LYS 86 -3.279 2.718 12.696 214 H GLU 87 H GLU 87 2.244 4.258 8.519 215 HA GLU 87 HA GLU 87 4.372 4.279 10.467 216 HB2 GLU 87 2HB GLU 87 3.804 2.438 8.118 217 HB3 GLU 87 1HB GLU 87 5.077 2.175 9.306 218 HG2 GLU 87 2HG GLU 87 3.397 1.964 11.091 219 HG3 GLU 87 1HG GLU 87 2.111 2.273 9.925 220 H ILE 88 H ILE 88 4.008 5.672 7.379 221 HA ILE 88 HA ILE 88 6.603 5.548 6.307 222 HB ILE 88 HB ILE 88 4.513 7.763 6.021 223 HG12 ILE 88 2HG1 ILE 88 5.032 5.344 4.231 224 HG13 ILE 88 1HG1 ILE 88 3.740 5.447 5.415 225 HG21 ILE 88 1HG2 ILE 88 6.703 8.574 5.248 226 HG22 ILE 88 2HG2 ILE 88 5.622 8.331 3.880 227 HG23 ILE 88 3HG2 ILE 88 6.892 7.153 4.214 228 HD11 ILE 88 3HD1 ILE 88 2.905 5.852 3.218 229 HD12 ILE 88 1HD1 ILE 88 4.048 7.166 2.972 230 HD13 ILE 88 2HD1 ILE 88 2.765 7.317 4.180 231 H ARG 89 H ARG 89 5.158 7.760 8.654 232 HA ARG 89 HA ARG 89 7.285 9.634 8.749 233 HB2 ARG 89 2HB ARG 89 5.101 10.334 9.481 234 HB3 ARG 89 1HB ARG 89 5.045 9.103 10.738 235 HG2 ARG 89 2HG ARG 89 6.976 10.280 11.865 236 HG3 ARG 89 1HG ARG 89 6.834 11.566 10.662 237 HD2 ARG 89 2HD ARG 89 5.683 12.055 12.843 238 HD3 ARG 89 1HD ARG 89 4.613 12.137 11.440 239 HE ARG 89 HE ARG 89 4.724 9.620 12.956 240 HH11 ARG 89 1HH1 ARG 89 2.913 12.561 12.239 241 HH12 ARG 89 2HH1 ARG 89 1.420 11.929 12.848 242 HH21 ARG 89 1HH2 ARG 89 2.740 8.786 13.661 243 HH22 ARG 89 2HH2 ARG 89 1.324 9.785 13.655 244 HA PRO 90 HA PRO 90 9.013 7.283 12.690 245 HB2 PRO 90 2HB PRO 90 8.289 4.592 12.884 246 HB3 PRO 90 1HB PRO 90 7.587 5.909 13.841 247 HG2 PRO 90 2HG PRO 90 6.518 4.621 11.356 248 HG3 PRO 90 1HG PRO 90 5.652 5.135 12.824 249 HD2 PRO 90 2HD PRO 90 5.586 6.611 10.587 250 HD3 PRO 90 1HD PRO 90 5.642 7.378 12.191 251 H THR 91 H THR 91 8.329 5.177 9.831 252 HA THR 91 HA THR 91 10.793 3.920 9.538 253 HB THR 91 HB THR 91 8.810 4.911 7.445 254 HG1 THR 91 HG1 THR 91 7.791 3.174 8.031 255 HG21 THR 91 3HG2 THR 91 9.837 3.292 5.849 256 HG22 THR 91 1HG2 THR 91 11.143 2.995 7.002 257 HG23 THR 91 2HG2 THR 91 10.955 4.588 6.268 258 H TYR 92 H TYR 92 9.764 7.016 8.127 259 HA TYR 92 HA TYR 92 12.171 7.848 6.986 260 HB2 TYR 92 2HB TYR 92 9.942 8.868 6.525 261 HB3 TYR 92 1HB TYR 92 9.926 9.566 8.144 262 HD1 TYR 92 HD2 TYR 92 12.389 9.412 5.287 263 HD2 TYR 92 HD1 TYR 92 10.349 11.890 8.111 264 HE1 TYR 92 HE2 TYR 92 13.574 11.354 4.422 265 HE2 TYR 92 HE1 TYR 92 11.540 13.855 7.237 266 HH TYR 92 HH TYR 92 13.455 14.438 6.022 267 H ALA 93 H ALA 93 11.046 7.991 10.308 268 HA ALA 93 HA ALA 93 13.079 9.845 11.236 269 HB1 ALA 93 3HB ALA 93 12.003 9.572 13.420 270 HB2 ALA 93 1HB ALA 93 11.045 8.222 12.795 271 HB3 ALA 93 2HB ALA 93 10.792 9.849 12.167 272 H GLY 94 H GLY 94 13.492 6.812 10.258 273 HA2 GLY 94 2HA GLY 94 15.402 5.505 10.496 274 HA3 GLY 94 1HA GLY 94 15.812 6.394 11.951 275 H SER 95 H SER 95 12.628 5.410 12.299 276 HA SER 95 HA SER 95 13.260 3.386 14.214 277 HB2 SER 95 2HB SER 95 10.523 4.049 13.044 278 HB3 SER 95 1HB SER 95 10.852 3.223 14.568 279 HG SER 95 HG SER 95 12.131 5.612 14.453 280 H LYS 96 H LYS 96 14.221 1.612 13.350 281 HA LYS 96 HA LYS 96 13.702 0.397 10.885 282 HB2 LYS 96 2HB LYS 96 15.136 -1.452 11.707 283 HB3 LYS 96 1HB LYS 96 15.826 0.135 11.998 284 HG2 LYS 96 2HG LYS 96 15.098 0.008 14.367 285 HG3 LYS 96 1HG LYS 96 14.475 -1.615 14.072 286 HD2 LYS 96 2HD LYS 96 17.384 -0.738 13.845 287 HD3 LYS 96 1HD LYS 96 16.692 -1.716 15.139 288 HE2 LYS 96 2HE LYS 96 16.928 -2.523 12.221 289 HE3 LYS 96 1HE LYS 96 17.919 -3.120 13.545 290 HZ1 LYS 96 3HZ LYS 96 16.197 -4.686 12.970 291 HZ2 LYS 96 1HZ LYS 96 14.991 -3.538 13.262 292 HZ3 LYS 96 2HZ LYS 96 15.950 -4.099 14.534 293 H SER 97 H SER 97 12.330 -0.391 14.079 294 HA SER 97 HA SER 97 11.122 -2.848 13.418 295 HB2 SER 97 2HB SER 97 10.045 -0.803 15.405 296 HB3 SER 97 1HB SER 97 9.684 -2.529 15.380 297 HG SER 97 HG SER 97 11.277 -2.116 16.903 298 H ALA 98 H ALA 98 9.826 0.466 13.317 299 HA ALA 98 HA ALA 98 7.230 -0.160 12.330 300 HB1 ALA 98 3HB ALA 98 8.765 2.465 12.211 301 HB2 ALA 98 1HB ALA 98 7.728 1.924 13.530 302 HB3 ALA 98 2HB ALA 98 7.025 2.268 11.952 303 H MET 99 H MET 99 10.312 0.531 10.801 304 HA MET 99 HA MET 99 9.448 0.852 8.116 305 HB2 MET 99 2HB MET 99 11.617 1.670 8.812 306 HB3 MET 99 1HB MET 99 12.130 0.069 9.324 307 HG2 MET 99 2HG MET 99 11.460 0.615 6.425 308 HG3 MET 99 1HG MET 99 13.039 1.028 7.084 309 HE1 MET 99 3HE MET 99 14.753 -0.756 8.060 310 HE2 MET 99 1HE MET 99 14.448 -2.491 8.111 311 HE3 MET 99 2HE MET 99 13.549 -1.407 9.175 312 H GLU 100 H GLU 100 10.551 -1.927 9.990 313 HA GLU 100 HA GLU 100 10.606 -3.859 7.928 314 HB2 GLU 100 2HB GLU 100 11.691 -4.054 10.198 315 HB3 GLU 100 1HB GLU 100 10.102 -4.305 10.902 316 HG2 GLU 100 2HG GLU 100 11.066 -6.449 10.710 317 HG3 GLU 100 1HG GLU 100 9.887 -6.343 9.407 318 H ARG 101 H ARG 101 8.160 -2.827 10.219 319 HA ARG 101 HA ARG 101 6.139 -4.733 9.509 320 HB2 ARG 101 2HB ARG 101 6.433 -3.264 11.683 321 HB3 ARG 101 1HB ARG 101 5.526 -2.050 10.795 322 HG2 ARG 101 2HG ARG 101 4.533 -4.861 11.410 323 HG3 ARG 101 1HG ARG 101 4.132 -3.428 12.350 324 HD2 ARG 101 2HD ARG 101 3.023 -2.454 10.350 325 HD3 ARG 101 1HD ARG 101 3.391 -3.929 9.450 326 HE ARG 101 HE ARG 101 2.044 -4.934 11.493 327 HH11 ARG 101 1HH1 ARG 101 1.263 -2.129 9.470 328 HH12 ARG 101 2HH1 ARG 101 -0.449 -2.343 9.680 329 HH21 ARG 101 1HH2 ARG 101 -0.188 -5.155 11.764 330 HH22 ARG 101 2HH2 ARG 101 -1.264 -4.043 10.973 331 H LEU 102 H LEU 102 6.886 -1.408 8.519 332 HA LEU 102 HA LEU 102 4.729 -0.863 6.832 333 HB2 LEU 102 2HB LEU 102 6.403 0.817 7.582 334 HB3 LEU 102 1HB LEU 102 7.629 0.043 6.593 335 HG LEU 102 HG LEU 102 6.371 0.684 4.545 336 HD11 LEU 102 1HD1 LEU 102 4.514 2.172 6.403 337 HD12 LEU 102 2HD1 LEU 102 4.116 0.752 5.432 338 HD13 LEU 102 3HD1 LEU 102 4.527 2.268 4.640 339 HD21 LEU 102 3HD2 LEU 102 6.867 3.079 4.590 340 HD22 LEU 102 1HD2 LEU 102 8.152 2.152 5.356 341 HD23 LEU 102 2HD2 LEU 102 6.995 3.039 6.352 342 H LYS 103 H LYS 103 7.841 -2.449 6.145 343 HA LYS 103 HA LYS 103 7.563 -3.010 3.413 344 HB2 LYS 103 2HB LYS 103 9.010 -4.555 5.598 345 HB3 LYS 103 1HB LYS 103 9.172 -4.918 3.881 346 HG2 LYS 103 2HG LYS 103 10.275 -2.837 3.441 347 HG3 LYS 103 1HG LYS 103 9.860 -2.202 5.036 348 HD2 LYS 103 2HD LYS 103 12.237 -2.896 4.927 349 HD3 LYS 103 1HD LYS 103 11.335 -3.836 6.116 350 HE2 LYS 103 2HE LYS 103 11.099 -5.648 4.367 351 HE3 LYS 103 1HE LYS 103 12.213 -4.726 3.355 352 HZ1 LYS 103 3HZ LYS 103 13.375 -6.416 4.577 353 HZ2 LYS 103 1HZ LYS 103 12.790 -5.824 6.052 354 HZ3 LYS 103 2HZ LYS 103 13.860 -4.890 5.129 355 H ARG 104 H ARG 104 6.712 -5.050 6.226 356 HA ARG 104 HA ARG 104 5.701 -7.208 4.657 357 HB2 ARG 104 2HB ARG 104 6.516 -7.405 7.043 358 HB3 ARG 104 1HB ARG 104 5.040 -6.596 7.574 359 HG2 ARG 104 2HG ARG 104 3.726 -8.442 6.451 360 HG3 ARG 104 1HG ARG 104 5.252 -9.271 6.151 361 HD2 ARG 104 2HD ARG 104 5.653 -9.471 8.556 362 HD3 ARG 104 1HD ARG 104 4.203 -8.516 8.900 363 HE ARG 104 HE ARG 104 3.876 -10.990 7.369 364 HH11 ARG 104 1HH1 ARG 104 3.531 -9.401 10.493 365 HH12 ARG 104 2HH1 ARG 104 2.463 -10.616 11.115 366 HH21 ARG 104 1HH2 ARG 104 2.454 -12.551 8.192 367 HH22 ARG 104 2HH2 ARG 104 1.853 -12.409 9.815 368 H GLY 105 H GLY 105 4.305 -4.262 5.906 369 HA2 GLY 105 2HA GLY 105 1.562 -4.772 5.569 370 HA3 GLY 105 1HA GLY 105 2.336 -3.190 5.461 371 H ILE 106 H ILE 106 4.068 -3.621 3.299 372 HA ILE 106 HA ILE 106 2.396 -3.413 1.003 373 HB ILE 106 HB ILE 106 5.376 -3.506 1.448 374 HG12 ILE 106 2HG1 ILE 106 5.314 -1.444 0.015 375 HG13 ILE 106 1HG1 ILE 106 3.584 -1.649 -0.202 376 HG21 ILE 106 1HG2 ILE 106 5.906 -3.594 -0.986 377 HG22 ILE 106 2HG2 ILE 106 4.227 -4.014 -1.329 378 HG23 ILE 106 3HG2 ILE 106 5.236 -5.114 -0.388 379 HD11 ILE 106 3HD1 ILE 106 4.138 0.074 1.416 380 HD12 ILE 106 1HD1 ILE 106 4.983 -1.110 2.407 381 HD13 ILE 106 2HD1 ILE 106 3.242 -1.244 2.165 382 H ILE 107 H ILE 107 4.347 -6.161 2.268 383 HA ILE 107 HA ILE 107 3.843 -7.940 0.118 384 HB ILE 107 HB ILE 107 4.827 -8.279 2.951 385 HG12 ILE 107 2HG1 ILE 107 6.788 -9.310 1.818 386 HG13 ILE 107 1HG1 ILE 107 5.977 -9.186 0.264 387 HG21 ILE 107 1HG2 ILE 107 4.025 -10.687 1.271 388 HG22 ILE 107 2HG2 ILE 107 3.313 -10.196 2.808 389 HG23 ILE 107 3HG2 ILE 107 4.984 -10.753 2.753 390 HD11 ILE 107 3HD1 ILE 107 7.685 -7.473 0.577 391 HD12 ILE 107 1HD1 ILE 107 6.830 -6.865 1.995 392 HD13 ILE 107 2HD1 ILE 107 6.085 -6.753 0.396 393 H HIS 108 H HIS 108 2.046 -7.209 3.040 394 HA HIS 108 HA HIS 108 0.095 -9.283 2.752 395 HB2 HIS 108 2HB HIS 108 0.635 -8.264 4.959 396 HB3 HIS 108 1HB HIS 108 -0.026 -6.726 4.408 397 HD1 HIS 108 HD1 HIS 108 -1.730 -6.848 6.380 398 HD2 HIS 108 HD2 HIS 108 -2.129 -9.905 3.592 399 HE1 HIS 108 HE1 HIS 108 -3.978 -7.881 6.811 400 HE2 HIS 108 HE2 HIS 108 -4.285 -9.513 4.940 401 H ALA 109 H ALA 109 0.115 -5.778 2.091 402 HA ALA 109 HA ALA 109 -2.552 -5.515 1.230 403 HB1 ALA 109 3HB ALA 109 -1.177 -3.598 1.907 404 HB2 ALA 109 1HB ALA 109 -1.855 -3.347 0.295 405 HB3 ALA 109 2HB ALA 109 -0.159 -3.805 0.483 406 H ARG 110 H ARG 110 0.424 -6.235 -0.492 407 HA ARG 110 HA ARG 110 -0.551 -6.049 -3.172 408 HB2 ARG 110 2HB ARG 110 1.888 -5.955 -2.300 409 HB3 ARG 110 1HB ARG 110 1.832 -7.706 -2.209 410 HG2 ARG 110 2HG ARG 110 1.237 -6.291 -4.816 411 HG3 ARG 110 1HG ARG 110 2.895 -6.534 -4.285 412 HD2 ARG 110 2HD ARG 110 2.551 -8.968 -4.269 413 HD3 ARG 110 1HD ARG 110 0.867 -8.739 -4.763 414 HE ARG 110 HE ARG 110 2.536 -7.414 -6.576 415 HH11 ARG 110 1HH1 ARG 110 1.662 -10.716 -5.719 416 HH12 ARG 110 2HH1 ARG 110 2.013 -11.342 -7.296 417 HH21 ARG 110 1HH2 ARG 110 3.022 -8.196 -8.586 418 HH22 ARG 110 2HH2 ARG 110 2.804 -9.877 -8.957 419 H ALA 111 H ALA 111 -0.390 -8.558 -0.740 420 HA ALA 111 HA ALA 111 -1.048 -10.784 -2.441 421 HB1 ALA 111 3HB ALA 111 -1.117 -10.529 0.589 422 HB2 ALA 111 1HB ALA 111 0.269 -11.046 -0.373 423 HB3 ALA 111 2HB ALA 111 -1.188 -12.034 -0.333 424 H LEU 112 H LEU 112 -2.807 -8.515 -0.392 425 HA LEU 112 HA LEU 112 -5.380 -9.747 -0.505 426 HB2 LEU 112 2HB LEU 112 -4.559 -6.875 0.052 427 HB3 LEU 112 1HB LEU 112 -6.203 -7.471 0.231 428 HG LEU 112 HG LEU 112 -3.836 -8.565 1.798 429 HD11 LEU 112 1HD1 LEU 112 -4.648 -7.294 3.720 430 HD12 LEU 112 2HD1 LEU 112 -5.912 -6.560 2.731 431 HD13 LEU 112 3HD1 LEU 112 -4.214 -6.214 2.395 432 HD21 LEU 112 3HD2 LEU 112 -6.820 -8.986 2.156 433 HD22 LEU 112 1HD2 LEU 112 -5.552 -9.610 3.216 434 HD23 LEU 112 2HD2 LEU 112 -5.661 -10.172 1.551 435 H VAL 113 H VAL 113 -3.711 -7.363 -2.518 436 HA VAL 113 HA VAL 113 -5.877 -6.911 -4.343 437 HB VAL 113 HB VAL 113 -2.871 -6.584 -4.843 438 HG11 VAL 113 1HG1 VAL 113 -4.143 -6.612 -6.944 439 HG12 VAL 113 2HG1 VAL 113 -3.522 -4.996 -6.620 440 HG13 VAL 113 3HG1 VAL 113 -5.226 -5.353 -6.337 441 HG21 VAL 113 3HG2 VAL 113 -3.154 -4.220 -4.250 442 HG22 VAL 113 1HG2 VAL 113 -3.598 -5.257 -2.898 443 HG23 VAL 113 2HG2 VAL 113 -4.855 -4.491 -3.866 444 H ARG 114 H ARG 114 -3.228 -9.222 -4.100 445 HA ARG 114 HA ARG 114 -3.272 -10.302 -6.706 446 HB2 ARG 114 2HB ARG 114 -1.322 -10.519 -5.281 447 HB3 ARG 114 1HB ARG 114 -2.223 -11.411 -4.073 448 HG2 ARG 114 2HG ARG 114 -1.992 -12.605 -6.821 449 HG3 ARG 114 1HG ARG 114 -0.568 -12.618 -5.790 450 HD2 ARG 114 2HD ARG 114 -1.686 -13.947 -4.122 451 HD3 ARG 114 1HD ARG 114 -3.251 -13.749 -4.913 452 HE ARG 114 HE ARG 114 -1.081 -15.533 -5.685 453 HH11 ARG 114 1HH1 ARG 114 -4.197 -14.162 -6.588 454 HH12 ARG 114 2HH1 ARG 114 -4.527 -15.393 -7.762 455 HH21 ARG 114 1HH2 ARG 114 -1.516 -17.127 -7.262 456 HH22 ARG 114 2HH2 ARG 114 -3.009 -17.074 -8.145 457 H GLU 115 H GLU 115 -4.797 -11.456 -3.701 458 HA GLU 115 HA GLU 115 -6.063 -13.720 -4.883 459 HB2 GLU 115 2HB GLU 115 -7.474 -13.761 -2.805 460 HB3 GLU 115 1HB GLU 115 -5.745 -13.710 -2.487 461 HG2 GLU 115 2HG GLU 115 -5.840 -11.401 -1.830 462 HG3 GLU 115 1HG GLU 115 -7.489 -11.240 -2.433 463 H CYS 116 H CYS 116 -7.134 -10.379 -4.327 464 HA CYS 116 HA CYS 116 -9.843 -10.800 -5.150 465 HB2 CYS 116 2HB CYS 116 -8.302 -8.215 -4.773 466 HB3 CYS 116 1HB CYS 116 -10.045 -8.332 -5.026 467 HG CYS 116 HG CYS 116 -8.598 -8.142 -2.254 468 H LEU 117 H LEU 117 -6.918 -10.151 -6.904 469 HA LEU 117 HA LEU 117 -7.671 -9.127 -9.337 470 HB2 LEU 117 2HB LEU 117 -5.745 -11.349 -8.620 471 HB3 LEU 117 1HB LEU 117 -5.992 -10.951 -10.308 472 HG LEU 117 HG LEU 117 -4.924 -9.009 -8.214 473 HD11 LEU 117 1HD1 LEU 117 -2.739 -9.321 -9.293 474 HD12 LEU 117 2HD1 LEU 117 -3.428 -10.529 -10.380 475 HD13 LEU 117 3HD1 LEU 117 -3.346 -10.843 -8.646 476 HD21 LEU 117 3HD2 LEU 117 -4.371 -7.552 -10.116 477 HD22 LEU 117 1HD2 LEU 117 -6.101 -7.870 -10.072 478 HD23 LEU 117 2HD2 LEU 117 -5.087 -8.708 -11.244 479 H ALA 118 H ALA 118 -8.338 -12.333 -8.086 480 HA ALA 118 HA ALA 118 -9.316 -13.632 -10.372 481 HB1 ALA 118 3HB ALA 118 -10.340 -15.204 -8.772 482 HB2 ALA 118 1HB ALA 118 -10.043 -14.062 -7.458 483 HB3 ALA 118 2HB ALA 118 -8.686 -14.798 -8.314 484 H GLU 119 H GLU 119 -11.281 -12.160 -7.691 485 HA GLU 119 HA GLU 119 -13.759 -12.387 -9.019 486 HB2 GLU 119 2HB GLU 119 -14.681 -11.095 -7.206 487 HB3 GLU 119 1HB GLU 119 -13.503 -12.228 -6.563 488 HG2 GLU 119 2HG GLU 119 -11.866 -10.422 -6.301 489 HG3 GLU 119 1HG GLU 119 -12.985 -9.279 -7.040 490 H THR 120 H THR 120 -11.343 -9.891 -9.279 491 HA THR 120 HA THR 120 -12.785 -7.739 -10.233 492 HB THR 120 HB THR 120 -10.082 -8.661 -11.304 493 HG1 THR 120 HG1 THR 120 -10.843 -7.956 -8.804 494 HG21 THR 120 3HG2 THR 120 -11.021 -6.703 -12.519 495 HG22 THR 120 1HG2 THR 120 -9.604 -6.262 -11.565 496 HG23 THR 120 2HG2 THR 120 -11.217 -5.858 -10.983 497 H GLU 121 H GLU 121 -12.050 -10.748 -11.861 498 HA GLU 121 HA GLU 121 -13.056 -10.011 -14.481 499 HB2 GLU 121 2HB GLU 121 -11.516 -11.910 -14.216 500 HB3 GLU 121 1HB GLU 121 -12.656 -12.735 -13.155 501 HG2 GLU 121 2HG GLU 121 -14.278 -12.773 -15.120 502 HG3 GLU 121 1HG GLU 121 -12.945 -12.203 -16.126 503 H ARG 122 H ARG 122 -14.319 -12.045 -11.849 504 HA ARG 122 HA ARG 122 -16.851 -12.619 -12.609 505 HB2 ARG 122 2HB ARG 122 -15.798 -12.032 -9.828 506 HB3 ARG 122 1HB ARG 122 -17.486 -12.465 -10.060 507 HG2 ARG 122 2HG ARG 122 -16.288 -14.443 -9.420 508 HG3 ARG 122 1HG ARG 122 -16.748 -14.614 -11.111 509 HD2 ARG 122 2HD ARG 122 -14.441 -13.961 -11.774 510 HD3 ARG 122 1HD ARG 122 -14.001 -13.866 -10.064 511 HE ARG 122 HE ARG 122 -15.052 -16.375 -10.395 512 HH11 ARG 122 1HH1 ARG 122 -12.321 -14.639 -11.812 513 HH12 ARG 122 2HH1 ARG 122 -11.414 -16.092 -12.098 514 HH21 ARG 122 1HH2 ARG 122 -13.875 -18.228 -10.807 515 HH22 ARG 122 2HH2 ARG 122 -12.299 -18.125 -11.529 516 H ASN 123 H ASN 123 -15.858 -9.546 -11.185 517 HA ASN 123 HA ASN 123 -18.380 -8.274 -11.126 518 HB2 ASN 123 2HB ASN 123 -16.490 -7.291 -9.947 519 HB3 ASN 123 1HB ASN 123 -15.563 -7.142 -11.443 520 HD21 ASN 123 1HD2 ASN 123 -15.336 -4.972 -11.561 521 HD22 ASN 123 2HD2 ASN 123 -16.646 -3.847 -11.664 522 H ALA 124 H ALA 124 -19.679 -7.994 -12.816 523 HA ALA 124 HA ALA 124 -18.725 -8.143 -15.545 524 HB1 ALA 124 3HB ALA 124 -21.547 -7.731 -14.520 525 HB2 ALA 124 1HB ALA 124 -20.801 -9.285 -14.889 526 HB3 ALA 124 2HB ALA 124 -21.083 -8.114 -16.177 527 H ARG 125 H ARG 125 -17.398 -6.238 -15.223 528 HA ARG 125 HA ARG 125 -18.791 -3.826 -16.248 529 HB2 ARG 125 2HB ARG 125 -16.774 -2.549 -15.512 530 HB3 ARG 125 1HB ARG 125 -17.598 -3.323 -14.163 531 HG2 ARG 125 2HG ARG 125 -15.914 -5.003 -13.966 532 HG3 ARG 125 1HG ARG 125 -15.194 -4.564 -15.515 533 HD2 ARG 125 2HD ARG 125 -14.554 -2.347 -14.533 534 HD3 ARG 125 1HD ARG 125 -15.180 -2.903 -12.981 535 HE ARG 125 HE ARG 125 -13.193 -3.942 -12.647 536 HH11 ARG 125 1HH1 ARG 125 -13.632 -3.788 -16.152 537 HH12 ARG 125 2HH1 ARG 125 -12.097 -4.519 -16.489 538 HH21 ARG 125 1HH2 ARG 125 -11.154 -4.824 -13.138 539 HH22 ARG 125 2HH2 ARG 125 -10.705 -5.101 -14.790 540 H THR 126 H THR 126 -16.715 -6.421 -16.830 541 HA THR 126 HA THR 126 -15.132 -5.326 -18.963 542 HB THR 126 HB THR 126 -14.035 -6.900 -17.541 543 HG1 THR 126 HG1 THR 126 -13.323 -7.184 -19.594 544 HG21 THR 126 3HG2 THR 126 -16.166 -8.972 -18.183 545 HG22 THR 126 1HG2 THR 126 -15.947 -8.165 -16.630 546 HG23 THR 126 2HG2 THR 126 -14.700 -9.254 -17.241 547 H1 SER 58 1H SER 58 -3.610 -12.945 8.987 548 H2 SER 58 2H SER 58 -4.771 -11.753 8.705 549 H3 SER 58 3H SER 58 -3.256 -11.323 9.313 550 HA SER 58 HA SER 58 -3.540 -10.805 6.959 551 HB2 SER 58 2HB SER 58 -1.294 -11.180 7.995 552 HB3 SER 58 1HB SER 58 -1.399 -12.889 7.570 553 HG SER 58 HG SER 58 -1.123 -12.413 5.486 554 H HIS 59 H HIS 59 -5.516 -11.667 6.167 555 HA HIS 59 HA HIS 59 -5.803 -14.399 5.345 556 HB2 HIS 59 2HB HIS 59 -7.807 -13.116 5.932 557 HB3 HIS 59 1HB HIS 59 -7.482 -11.934 4.669 558 HD1 HIS 59 HD1 HIS 59 -7.623 -12.985 2.118 559 HD2 HIS 59 HD2 HIS 59 -9.454 -15.179 5.147 560 HE1 HIS 59 HE1 HIS 59 -9.210 -14.536 0.958 561 HE2 HIS 59 HE2 HIS 59 -10.413 -15.731 2.804 562 H MET 60 H MET 60 -4.068 -14.850 3.980 563 HA MET 60 HA MET 60 -5.028 -14.848 1.334 564 HB2 MET 60 2HB MET 60 -3.748 -12.624 1.295 565 HB3 MET 60 1HB MET 60 -2.269 -13.543 1.543 566 HG2 MET 60 2HG MET 60 -4.149 -13.947 -0.815 567 HG3 MET 60 1HG MET 60 -2.712 -12.932 -0.841 568 HE1 MET 60 3HE MET 60 0.151 -15.629 -0.428 569 HE2 MET 60 1HE MET 60 -0.625 -14.749 0.890 570 HE3 MET 60 2HE MET 60 -0.204 -13.913 -0.605 571 H ALA 61 H ALA 61 -4.858 -16.929 1.056 572 HA ALA 61 HA ALA 61 -2.217 -18.212 1.028 573 HB1 ALA 61 3HB ALA 61 -4.660 -19.413 2.409 574 HB2 ALA 61 1HB ALA 61 -3.176 -18.884 3.201 575 HB3 ALA 61 2HB ALA 61 -3.143 -20.264 2.105 576 H MET 62 H MET 62 -3.885 -17.004 -0.929 577 HA MET 62 HA MET 62 -5.287 -19.165 -2.342 578 HB2 MET 62 2HB MET 62 -5.347 -16.131 -2.720 579 HB3 MET 62 1HB MET 62 -6.237 -17.276 -3.720 580 HG2 MET 62 2HG MET 62 -6.635 -16.799 -0.761 581 HG3 MET 62 1HG MET 62 -7.707 -16.286 -2.063 582 HE1 MET 62 3HE MET 62 -8.975 -19.816 -3.392 583 HE2 MET 62 1HE MET 62 -7.611 -18.868 -3.985 584 HE3 MET 62 2HE MET 62 -9.137 -18.072 -3.591 585 H LYS 63 H LYS 63 -4.035 -20.237 -3.743 586 HA LYS 63 HA LYS 63 -2.676 -18.677 -5.856 587 HB2 LYS 63 2HB LYS 63 -1.815 -21.423 -4.851 588 HB3 LYS 63 1HB LYS 63 -1.068 -20.528 -6.166 589 HG2 LYS 63 2HG LYS 63 -0.370 -18.778 -4.531 590 HG3 LYS 63 1HG LYS 63 -1.046 -19.763 -3.232 591 HD2 LYS 63 2HD LYS 63 1.222 -20.586 -5.091 592 HD3 LYS 63 1HD LYS 63 1.400 -20.076 -3.411 593 HE2 LYS 63 2HE LYS 63 0.090 -22.031 -2.671 594 HE3 LYS 63 1HE LYS 63 -0.115 -22.537 -4.351 595 HZ1 LYS 63 3HZ LYS 63 2.308 -22.745 -4.514 596 HZ2 LYS 63 1HZ LYS 63 1.672 -23.763 -3.320 597 HZ3 LYS 63 2HZ LYS 63 2.456 -22.331 -2.888 598 HA PRO 64 HA PRO 64 -6.052 -21.514 -7.533 599 HB2 PRO 64 2HB PRO 64 -7.936 -19.731 -8.273 600 HB3 PRO 64 1HB PRO 64 -7.746 -20.180 -6.564 601 HG2 PRO 64 2HG PRO 64 -6.811 -17.714 -7.975 602 HG3 PRO 64 1HG PRO 64 -7.552 -17.883 -6.368 603 HD2 PRO 64 2HD PRO 64 -4.816 -17.665 -6.832 604 HD3 PRO 64 1HD PRO 64 -5.550 -18.341 -5.363 605 HA PRO 65 HA PRO 65 -4.963 -21.258 -11.950 606 HB2 PRO 65 2HB PRO 65 -7.903 -20.812 -12.562 607 HB3 PRO 65 1HB PRO 65 -6.758 -21.961 -13.296 608 HG2 PRO 65 2HG PRO 65 -8.542 -22.811 -11.526 609 HG3 PRO 65 1HG PRO 65 -6.879 -23.448 -11.508 610 HD2 PRO 65 2HD PRO 65 -8.168 -21.476 -9.653 611 HD3 PRO 65 1HD PRO 65 -6.946 -22.714 -9.313 612 H GLY 66 H GLY 66 -7.609 -18.952 -11.205 613 HA2 GLY 66 2HA GLY 66 -7.173 -16.640 -10.848 614 HA3 GLY 66 1HA GLY 66 -5.832 -16.712 -11.969 615 H ALA 67 H ALA 67 -7.697 -14.740 -12.051 616 HA ALA 67 HA ALA 67 -9.723 -15.105 -14.020 617 HB1 ALA 67 3HB ALA 67 -9.789 -12.616 -14.015 618 HB2 ALA 67 1HB ALA 67 -8.341 -12.598 -13.002 619 HB3 ALA 67 2HB ALA 67 -9.841 -13.296 -12.389 620 H GLN 68 H GLN 68 -9.728 -14.139 -16.134 621 HA GLN 68 HA GLN 68 -7.191 -14.298 -17.603 622 HB2 GLN 68 2HB GLN 68 -10.116 -14.179 -18.441 623 HB3 GLN 68 1HB GLN 68 -8.819 -13.934 -19.600 624 HG2 GLN 68 2HG GLN 68 -9.595 -16.225 -19.727 625 HG3 GLN 68 1HG GLN 68 -7.942 -16.197 -19.113 626 HE21 GLN 68 1HE2 GLN 68 -7.577 -16.800 -16.936 627 HE22 GLN 68 2HE2 GLN 68 -8.750 -17.657 -16.000 628 H GLY 69 H GLY 69 -7.931 -12.387 -19.685 629 HA2 GLY 69 2HA GLY 69 -6.797 -10.026 -18.507 630 HA3 GLY 69 1HA GLY 69 -7.281 -10.239 -20.179 631 H SER 70 H SER 70 -8.720 -9.807 -16.944 632 HA SER 70 HA SER 70 -10.605 -7.782 -17.948 633 HB2 SER 70 2HB SER 70 -11.400 -10.263 -16.333 634 HB3 SER 70 1HB SER 70 -12.479 -8.911 -16.707 635 HG SER 70 HG SER 70 -12.902 -10.059 -18.413 636 H GLN 71 H GLN 71 -8.174 -7.647 -16.427 637 HA GLN 71 HA GLN 71 -8.987 -6.605 -13.812 638 HB2 GLN 71 2HB GLN 71 -7.309 -8.086 -12.654 639 HB3 GLN 71 1HB GLN 71 -8.635 -8.989 -13.370 640 HG2 GLN 71 2HG GLN 71 -7.130 -9.465 -15.349 641 HG3 GLN 71 1HG GLN 71 -5.810 -8.748 -14.430 642 HE21 GLN 71 1HE2 GLN 71 -6.801 -9.898 -11.889 643 HE22 GLN 71 2HE2 GLN 71 -6.415 -11.571 -11.952 644 H SER 72 H SER 72 -8.101 -5.116 -15.951 645 HA SER 72 HA SER 72 -5.214 -5.173 -16.311 646 HB2 SER 72 2HB SER 72 -7.322 -3.405 -17.658 647 HB3 SER 72 1HB SER 72 -5.645 -3.599 -18.175 648 HG SER 72 HG SER 72 -6.191 -5.897 -18.397 649 H THR 73 H THR 73 -7.754 -2.853 -15.294 650 HA THR 73 HA THR 73 -5.911 -0.765 -14.598 651 HB THR 73 HB THR 73 -8.188 -0.259 -15.408 652 HG1 THR 73 HG1 THR 73 -8.011 1.498 -14.285 653 HG21 THR 73 3HG2 THR 73 -9.449 -2.129 -14.376 654 HG22 THR 73 1HG2 THR 73 -10.174 -0.565 -13.992 655 HG23 THR 73 2HG2 THR 73 -9.205 -1.407 -12.783 656 H TYR 74 H TYR 74 -7.386 -3.463 -12.947 657 HA TYR 74 HA TYR 74 -6.910 -2.510 -10.277 658 HB2 TYR 74 2HB TYR 74 -8.742 -4.106 -10.868 659 HB3 TYR 74 1HB TYR 74 -7.534 -5.338 -11.226 660 HD1 TYR 74 HD1 TYR 74 -8.055 -2.895 -8.403 661 HD2 TYR 74 HD2 TYR 74 -7.521 -6.974 -9.529 662 HE1 TYR 74 HE1 TYR 74 -8.074 -3.561 -6.047 663 HE2 TYR 74 HE2 TYR 74 -7.540 -7.637 -7.175 664 HH TYR 74 HH TYR 74 -8.393 -5.453 -4.653 665 H THR 75 H THR 75 -5.032 -4.278 -12.650 666 HA THR 75 HA THR 75 -2.993 -5.224 -10.876 667 HB THR 75 HB THR 75 -2.841 -4.681 -13.884 668 HG1 THR 75 HG1 THR 75 -4.353 -6.382 -12.710 669 HG21 THR 75 3HG2 THR 75 -1.056 -6.445 -12.144 670 HG22 THR 75 1HG2 THR 75 -0.572 -4.928 -12.901 671 HG23 THR 75 2HG2 THR 75 -0.981 -6.319 -13.903 672 H ASP 76 H ASP 76 -3.720 -2.076 -12.261 673 HA ASP 76 HA ASP 76 -1.246 -0.776 -11.944 674 HB2 ASP 76 2HB ASP 76 -3.210 0.314 -13.015 675 HB3 ASP 76 1HB ASP 76 -4.028 0.388 -11.459 676 H LEU 77 H LEU 77 -3.901 -1.356 -9.626 677 HA LEU 77 HA LEU 77 -2.764 -0.140 -7.355 678 HB2 LEU 77 2HB LEU 77 -5.129 -0.713 -7.406 679 HB3 LEU 77 1HB LEU 77 -4.760 -2.425 -7.566 680 HG LEU 77 HG LEU 77 -3.894 -2.499 -5.266 681 HD11 LEU 77 1HD1 LEU 77 -2.928 -0.278 -5.060 682 HD12 LEU 77 2HD1 LEU 77 -4.039 -0.587 -3.732 683 HD13 LEU 77 3HD1 LEU 77 -4.533 0.458 -5.064 684 HD21 LEU 77 3HD2 LEU 77 -5.992 -2.114 -4.034 685 HD22 LEU 77 1HD2 LEU 77 -6.279 -2.906 -5.579 686 HD23 LEU 77 2HD2 LEU 77 -6.631 -1.187 -5.394 687 H LEU 78 H LEU 78 -2.591 -3.476 -8.543 688 HA LEU 78 HA LEU 78 -1.106 -4.709 -6.532 689 HB2 LEU 78 2HB LEU 78 -2.230 -5.760 -8.580 690 HB3 LEU 78 1HB LEU 78 -0.842 -5.238 -9.516 691 HG LEU 78 HG LEU 78 0.608 -6.672 -7.974 692 HD11 LEU 78 1HD1 LEU 78 -0.489 -8.468 -6.704 693 HD12 LEU 78 2HD1 LEU 78 -2.070 -7.768 -7.062 694 HD13 LEU 78 3HD1 LEU 78 -0.907 -6.874 -6.081 695 HD21 LEU 78 3HD2 LEU 78 0.079 -8.777 -9.136 696 HD22 LEU 78 1HD2 LEU 78 0.027 -7.405 -10.240 697 HD23 LEU 78 2HD2 LEU 78 -1.476 -8.116 -9.650 698 H SER 79 H SER 79 -0.016 -2.881 -9.366 699 HA SER 79 HA SER 79 2.791 -3.126 -8.999 700 HB2 SER 79 2HB SER 79 1.222 -0.993 -10.516 701 HB3 SER 79 1HB SER 79 2.939 -1.355 -10.722 702 HG SER 79 HG SER 79 1.146 -3.482 -11.038 703 H VAL 80 H VAL 80 0.386 -0.705 -7.982 704 HA VAL 80 HA VAL 80 2.095 1.352 -7.136 705 HB VAL 80 HB VAL 80 -0.756 0.634 -6.311 706 HG11 VAL 80 1HG1 VAL 80 -0.943 2.842 -5.189 707 HG12 VAL 80 2HG1 VAL 80 0.789 3.104 -5.403 708 HG13 VAL 80 3HG1 VAL 80 0.214 1.792 -4.375 709 HG21 VAL 80 3HG2 VAL 80 -0.452 1.473 -8.612 710 HG22 VAL 80 1HG2 VAL 80 0.346 2.924 -7.998 711 HG23 VAL 80 2HG2 VAL 80 -1.358 2.627 -7.641 712 H ILE 81 H ILE 81 0.623 -1.358 -5.327 713 HA ILE 81 HA ILE 81 1.617 -0.754 -2.801 714 HB ILE 81 HB ILE 81 1.232 -3.595 -3.841 715 HG12 ILE 81 2HG1 ILE 81 -0.822 -2.331 -4.305 716 HG13 ILE 81 1HG1 ILE 81 -1.102 -3.471 -3.003 717 HG21 ILE 81 1HG2 ILE 81 0.730 -4.118 -1.472 718 HG22 ILE 81 2HG2 ILE 81 1.091 -2.449 -1.029 719 HG23 ILE 81 3HG2 ILE 81 2.363 -3.488 -1.677 720 HD11 ILE 81 3HD1 ILE 81 -2.224 -1.373 -2.592 721 HD12 ILE 81 1HD1 ILE 81 -0.700 -0.493 -2.703 722 HD13 ILE 81 2HD1 ILE 81 -0.971 -1.633 -1.382 723 H GLU 82 H GLU 82 3.067 -2.702 -5.376 724 HA GLU 82 HA GLU 82 5.389 -3.564 -4.005 725 HB2 GLU 82 2HB GLU 82 4.851 -3.220 -6.989 726 HB3 GLU 82 1HB GLU 82 6.234 -4.088 -6.324 727 HG2 GLU 82 2HG GLU 82 4.739 -5.729 -5.285 728 HG3 GLU 82 1HG GLU 82 3.337 -4.827 -5.845 729 H GLU 83 H GLU 83 4.768 -0.705 -6.047 730 HA GLU 83 HA GLU 83 7.423 0.295 -6.099 731 HB2 GLU 83 2HB GLU 83 4.756 1.707 -6.491 732 HB3 GLU 83 1HB GLU 83 6.310 2.516 -6.686 733 HG2 GLU 83 2HG GLU 83 5.300 0.164 -8.313 734 HG3 GLU 83 1HG GLU 83 5.417 1.835 -8.851 735 H MET 84 H MET 84 4.696 0.911 -3.880 736 HA MET 84 HA MET 84 5.875 2.805 -2.214 737 HB2 MET 84 2HB MET 84 3.996 0.556 -1.354 738 HB3 MET 84 1HB MET 84 4.335 2.019 -0.439 739 HG2 MET 84 2HG MET 84 3.364 3.324 -2.387 740 HG3 MET 84 1HG MET 84 2.826 1.779 -3.035 741 HE1 MET 84 3HE MET 84 0.497 0.688 0.133 742 HE2 MET 84 1HE MET 84 2.220 0.365 -0.051 743 HE3 MET 84 2HE MET 84 1.116 0.082 -1.396 744 H GLY 85 H GLY 85 6.040 -0.749 -2.161 745 HA2 GLY 85 2HA GLY 85 7.631 -1.172 0.098 746 HA3 GLY 85 1HA GLY 85 7.564 -2.225 -1.303 747 H LYS 86 H LYS 86 8.525 -0.058 -3.058 748 HA LYS 86 HA LYS 86 11.386 -0.573 -2.778 749 HB2 LYS 86 2HB LYS 86 9.748 0.781 -4.960 750 HB3 LYS 86 1HB LYS 86 11.481 0.480 -5.064 751 HG2 LYS 86 2HG LYS 86 11.148 -1.915 -5.128 752 HG3 LYS 86 1HG LYS 86 9.444 -1.747 -4.698 753 HD2 LYS 86 2HD LYS 86 9.704 -2.264 -7.094 754 HD3 LYS 86 1HD LYS 86 8.971 -0.677 -6.865 755 HE2 LYS 86 2HE LYS 86 11.195 0.369 -7.272 756 HE3 LYS 86 1HE LYS 86 11.868 -1.235 -7.584 757 HZ1 LYS 86 3HZ LYS 86 9.625 -0.023 -9.114 758 HZ2 LYS 86 1HZ LYS 86 10.409 -1.483 -9.455 759 HZ3 LYS 86 2HZ LYS 86 11.247 -0.018 -9.617 760 H GLU 87 H GLU 87 9.064 2.056 -2.441 761 HA GLU 87 HA GLU 87 11.003 4.160 -2.154 762 HB2 GLU 87 2HB GLU 87 8.036 3.936 -1.943 763 HB3 GLU 87 1HB GLU 87 8.751 5.169 -0.912 764 HG2 GLU 87 2HG GLU 87 7.988 6.074 -3.063 765 HG3 GLU 87 1HG GLU 87 9.712 6.299 -2.813 766 H ILE 88 H ILE 88 9.942 1.668 -0.025 767 HA ILE 88 HA ILE 88 9.928 3.067 2.452 768 HB ILE 88 HB ILE 88 10.345 0.087 1.915 769 HG12 ILE 88 2HG1 ILE 88 7.851 1.620 2.790 770 HG13 ILE 88 1HG1 ILE 88 8.161 1.030 1.164 771 HG21 ILE 88 1HG2 ILE 88 9.737 -0.286 4.298 772 HG22 ILE 88 2HG2 ILE 88 9.748 1.456 4.576 773 HG23 ILE 88 3HG2 ILE 88 11.241 0.622 4.143 774 HD11 ILE 88 3HD1 ILE 88 6.627 -0.390 2.341 775 HD12 ILE 88 1HD1 ILE 88 7.810 -0.677 3.612 776 HD13 ILE 88 2HD1 ILE 88 8.111 -1.260 1.969 777 H ARG 89 H ARG 89 12.514 1.290 0.701 778 HA ARG 89 HA ARG 89 14.397 1.365 2.796 779 HB2 ARG 89 2HB ARG 89 14.639 -0.280 1.052 780 HB3 ARG 89 1HB ARG 89 14.727 0.952 -0.202 781 HG2 ARG 89 2HG ARG 89 16.900 1.726 0.823 782 HG3 ARG 89 1HG ARG 89 16.813 0.350 1.922 783 HD2 ARG 89 2HD ARG 89 16.950 -1.204 0.038 784 HD3 ARG 89 1HD ARG 89 16.912 0.147 -1.107 785 HE ARG 89 HE ARG 89 19.055 0.300 0.823 786 HH11 ARG 89 1HH1 ARG 89 18.157 -1.038 -2.319 787 HH12 ARG 89 2HH1 ARG 89 19.803 -1.177 -2.852 788 HH21 ARG 89 1HH2 ARG 89 21.204 0.138 0.092 789 HH22 ARG 89 2HH2 ARG 89 21.528 -0.511 -1.487 790 HA PRO 90 HA PRO 90 16.343 5.343 0.747 791 HB2 PRO 90 2HB PRO 90 14.733 6.812 -0.970 792 HB3 PRO 90 1HB PRO 90 15.946 5.632 -1.503 793 HG2 PRO 90 2HG PRO 90 12.976 5.265 -1.190 794 HG3 PRO 90 1HG PRO 90 14.051 4.716 -2.500 795 HD2 PRO 90 2HD PRO 90 13.223 3.041 -0.574 796 HD3 PRO 90 1HD PRO 90 14.855 2.919 -1.267 797 H THR 91 H THR 91 12.803 5.395 1.297 798 HA THR 91 HA THR 91 12.563 7.903 2.591 799 HB THR 91 HB THR 91 10.978 5.325 3.022 800 HG1 THR 91 HG1 THR 91 9.914 5.977 1.333 801 HG21 THR 91 3HG2 THR 91 9.191 6.739 4.041 802 HG22 THR 91 1HG2 THR 91 10.287 8.123 4.027 803 HG23 THR 91 2HG2 THR 91 10.649 6.718 5.030 804 H TYR 92 H TYR 92 13.230 4.684 3.892 805 HA TYR 92 HA TYR 92 13.567 5.354 6.606 806 HB2 TYR 92 2HB TYR 92 13.185 3.038 5.863 807 HB3 TYR 92 1HB TYR 92 14.714 3.031 4.990 808 HD1 TYR 92 HD2 TYR 92 13.363 3.567 8.467 809 HD2 TYR 92 HD1 TYR 92 16.596 2.106 6.094 810 HE1 TYR 92 HE2 TYR 92 14.487 2.777 10.481 811 HE2 TYR 92 HE1 TYR 92 17.730 1.308 8.116 812 HH TYR 92 HH TYR 92 17.748 1.789 10.505 813 H ALA 93 H ALA 93 15.751 5.491 3.833 814 HA ALA 93 HA ALA 93 18.172 5.756 5.360 815 HB1 ALA 93 3HB ALA 93 19.231 6.070 3.174 816 HB2 ALA 93 1HB ALA 93 17.649 6.259 2.413 817 HB3 ALA 93 2HB ALA 93 18.105 4.714 3.129 818 H GLY 94 H GLY 94 15.674 7.920 4.904 819 HA2 GLY 94 2HA GLY 94 15.732 10.096 5.843 820 HA3 GLY 94 1HA GLY 94 17.427 10.233 5.414 821 H SER 95 H SER 95 16.014 8.987 2.708 822 HA SER 95 HA SER 95 16.104 11.434 1.266 823 HB2 SER 95 2HB SER 95 14.958 8.754 0.378 824 HB3 SER 95 1HB SER 95 15.382 10.098 -0.683 825 HG SER 95 HG SER 95 17.499 9.546 0.834 826 H LYS 96 H LYS 96 14.651 12.916 2.021 827 HA LYS 96 HA LYS 96 11.914 12.641 2.531 828 HB2 LYS 96 2HB LYS 96 11.821 15.110 2.266 829 HB3 LYS 96 1HB LYS 96 13.207 14.607 3.218 830 HG2 LYS 96 2HG LYS 96 14.616 14.822 1.131 831 HG3 LYS 96 1HG LYS 96 13.220 15.553 0.342 832 HD2 LYS 96 2HD LYS 96 14.638 16.631 2.811 833 HD3 LYS 96 1HD LYS 96 14.801 17.261 1.172 834 HE2 LYS 96 2HE LYS 96 12.453 17.941 1.164 835 HE3 LYS 96 1HE LYS 96 12.214 17.218 2.757 836 HZ1 LYS 96 3HZ LYS 96 14.077 19.459 2.181 837 HZ2 LYS 96 1HZ LYS 96 13.731 18.809 3.706 838 HZ3 LYS 96 2HZ LYS 96 12.533 19.641 2.845 839 H SER 97 H SER 97 13.650 13.093 -0.480 840 HA SER 97 HA SER 97 11.613 13.705 -2.266 841 HB2 SER 97 2HB SER 97 13.074 12.585 -3.993 842 HB3 SER 97 1HB SER 97 13.949 13.715 -2.960 843 HG SER 97 HG SER 97 15.191 12.123 -2.414 844 H ALA 98 H ALA 98 12.798 10.496 -1.233 845 HA ALA 98 HA ALA 98 10.869 8.943 -2.684 846 HB1 ALA 98 3HB ALA 98 11.755 7.046 -1.402 847 HB2 ALA 98 1HB ALA 98 12.641 8.157 -0.345 848 HB3 ALA 98 2HB ALA 98 13.051 8.043 -2.056 849 H MET 99 H MET 99 11.050 10.290 0.578 850 HA MET 99 HA MET 99 9.080 8.788 1.862 851 HB2 MET 99 2HB MET 99 10.730 10.159 3.042 852 HB3 MET 99 1HB MET 99 10.033 11.630 2.385 853 HG2 MET 99 2HG MET 99 8.367 9.805 4.114 854 HG3 MET 99 1HG MET 99 9.498 10.943 4.838 855 HE1 MET 99 3HE MET 99 9.294 13.568 4.656 856 HE2 MET 99 1HE MET 99 8.064 14.399 3.705 857 HE3 MET 99 2HE MET 99 9.329 13.474 2.895 858 H GLU 100 H GLU 100 8.826 11.858 0.064 859 HA GLU 100 HA GLU 100 6.017 12.232 0.467 860 HB2 GLU 100 2HB GLU 100 7.472 14.111 -0.070 861 HB3 GLU 100 1HB GLU 100 7.939 13.373 -1.593 862 HG2 GLU 100 2HG GLU 100 6.411 15.159 -2.066 863 HG3 GLU 100 1HG GLU 100 5.588 13.644 -2.403 864 H ARG 101 H ARG 101 7.911 10.470 -1.883 865 HA ARG 101 HA ARG 101 5.748 9.947 -3.753 866 HB2 ARG 101 2HB ARG 101 8.421 8.500 -3.475 867 HB3 ARG 101 1HB ARG 101 7.337 8.417 -4.858 868 HG2 ARG 101 2HG ARG 101 8.845 10.874 -3.929 869 HG3 ARG 101 1HG ARG 101 9.268 9.870 -5.312 870 HD2 ARG 101 2HD ARG 101 7.235 10.543 -6.468 871 HD3 ARG 101 1HD ARG 101 6.671 11.415 -5.044 872 HE ARG 101 HE ARG 101 8.203 13.112 -5.456 873 HH11 ARG 101 1HH1 ARG 101 8.532 10.618 -7.923 874 HH12 ARG 101 2HH1 ARG 101 9.437 11.644 -8.990 875 HH21 ARG 101 1HH2 ARG 101 9.358 14.436 -6.877 876 HH22 ARG 101 2HH2 ARG 101 9.907 13.804 -8.398 877 H LEU 102 H LEU 102 7.037 8.472 -0.875 878 HA LEU 102 HA LEU 102 5.672 5.946 -1.095 879 HB2 LEU 102 2HB LEU 102 7.759 6.169 0.208 880 HB3 LEU 102 1HB LEU 102 6.990 7.316 1.292 881 HG LEU 102 HG LEU 102 5.541 5.562 2.201 882 HD11 LEU 102 1HD1 LEU 102 6.848 3.645 0.255 883 HD12 LEU 102 2HD1 LEU 102 5.171 4.196 0.227 884 HD13 LEU 102 3HD1 LEU 102 5.744 3.203 1.561 885 HD21 LEU 102 3HD2 LEU 102 7.238 4.152 3.305 886 HD22 LEU 102 1HD2 LEU 102 7.722 5.843 3.249 887 HD23 LEU 102 2HD2 LEU 102 8.448 4.683 2.134 888 H LYS 103 H LYS 103 5.174 8.971 0.728 889 HA LYS 103 HA LYS 103 2.727 8.488 1.913 890 HB2 LYS 103 2HB LYS 103 3.830 11.082 0.758 891 HB3 LYS 103 1HB LYS 103 2.371 10.995 1.740 892 HG2 LYS 103 2HG LYS 103 3.696 10.156 3.649 893 HG3 LYS 103 1HG LYS 103 5.153 10.227 2.661 894 HD2 LYS 103 2HD LYS 103 5.032 12.186 4.123 895 HD3 LYS 103 1HD LYS 103 4.900 12.672 2.434 896 HE2 LYS 103 2HE LYS 103 3.316 13.946 3.736 897 HE3 LYS 103 1HE LYS 103 2.414 12.822 2.725 898 HZ1 LYS 103 3HZ LYS 103 1.543 12.907 4.988 899 HZ2 LYS 103 1HZ LYS 103 3.045 12.429 5.604 900 HZ3 LYS 103 2HZ LYS 103 2.153 11.368 4.639 901 H ARG 104 H ARG 104 3.337 9.991 -1.274 902 HA ARG 104 HA ARG 104 0.679 10.166 -2.137 903 HB2 ARG 104 2HB ARG 104 2.597 11.320 -3.246 904 HB3 ARG 104 1HB ARG 104 3.172 9.773 -3.869 905 HG2 ARG 104 2HG ARG 104 1.046 9.510 -5.119 906 HG3 ARG 104 1HG ARG 104 0.510 11.077 -4.517 907 HD2 ARG 104 2HD ARG 104 2.426 12.152 -5.708 908 HD3 ARG 104 1HD ARG 104 2.887 10.563 -6.343 909 HE ARG 104 HE ARG 104 0.152 11.223 -6.906 910 HH11 ARG 104 1HH1 ARG 104 3.419 11.758 -8.085 911 HH12 ARG 104 2HH1 ARG 104 2.905 12.106 -9.704 912 HH21 ARG 104 1HH2 ARG 104 -0.518 11.668 -9.013 913 HH22 ARG 104 2HH2 ARG 104 0.649 12.052 -10.240 914 H GLY 105 H GLY 105 3.006 7.519 -2.278 915 HA2 GLY 105 2HA GLY 105 1.743 5.675 -3.913 916 HA3 GLY 105 1HA GLY 105 2.736 5.260 -2.519 917 H ILE 106 H ILE 106 1.238 6.224 -0.405 918 HA ILE 106 HA ILE 106 -0.811 4.242 -0.129 919 HB ILE 106 HB ILE 106 0.280 6.394 1.665 920 HG12 ILE 106 2HG1 ILE 106 0.383 4.437 3.291 921 HG13 ILE 106 1HG1 ILE 106 -0.261 3.407 2.025 922 HG21 ILE 106 1HG2 ILE 106 -1.440 6.023 3.425 923 HG22 ILE 106 2HG2 ILE 106 -2.406 5.098 2.281 924 HG23 ILE 106 3HG2 ILE 106 -2.109 6.810 1.994 925 HD11 ILE 106 3HD1 ILE 106 2.158 3.218 2.335 926 HD12 ILE 106 1HD1 ILE 106 2.341 4.905 1.878 927 HD13 ILE 106 2HD1 ILE 106 1.729 3.741 0.708 928 H ILE 107 H ILE 107 -0.955 7.756 -0.869 929 HA ILE 107 HA ILE 107 -3.795 8.004 -0.654 930 HB ILE 107 HB ILE 107 -1.688 9.642 -2.116 931 HG12 ILE 107 2HG1 ILE 107 -2.440 11.455 -0.569 932 HG13 ILE 107 1HG1 ILE 107 -3.642 10.378 0.130 933 HG21 ILE 107 1HG2 ILE 107 -4.686 10.164 -2.301 934 HG22 ILE 107 2HG2 ILE 107 -3.610 9.735 -3.632 935 HG23 ILE 107 3HG2 ILE 107 -3.425 11.288 -2.820 936 HD11 ILE 107 3HD1 ILE 107 -1.825 8.963 0.993 937 HD12 ILE 107 1HD1 ILE 107 -1.728 10.625 1.577 938 HD13 ILE 107 2HD1 ILE 107 -0.646 10.081 0.294 939 H HIS 108 H HIS 108 -1.645 7.179 -3.314 940 HA HIS 108 HA HIS 108 -3.518 6.994 -5.420 941 HB2 HIS 108 2HB HIS 108 -0.983 7.187 -5.616 942 HB3 HIS 108 1HB HIS 108 -0.856 5.502 -5.130 943 HD1 HIS 108 HD1 HIS 108 0.357 6.260 -7.761 944 HD2 HIS 108 HD2 HIS 108 -3.611 5.080 -7.435 945 HE1 HIS 108 HE1 HIS 108 -0.304 5.441 -10.044 946 HE2 HIS 108 HE2 HIS 108 -2.587 4.480 -9.734 947 H ALA 109 H ALA 109 -2.127 4.626 -3.169 948 HA ALA 109 HA ALA 109 -3.348 2.297 -4.221 949 HB1 ALA 109 3HB ALA 109 -1.332 2.194 -2.829 950 HB2 ALA 109 1HB ALA 109 -2.619 1.204 -2.135 951 HB3 ALA 109 2HB ALA 109 -2.239 2.779 -1.435 952 H ARG 110 H ARG 110 -4.208 4.478 -1.539 953 HA ARG 110 HA ARG 110 -6.308 2.891 -0.434 954 HB2 ARG 110 2HB ARG 110 -4.879 4.824 0.638 955 HB3 ARG 110 1HB ARG 110 -6.064 5.914 -0.058 956 HG2 ARG 110 2HG ARG 110 -6.905 3.657 1.794 957 HG3 ARG 110 1HG ARG 110 -6.310 5.189 2.423 958 HD2 ARG 110 2HD ARG 110 -8.137 6.387 1.325 959 HD3 ARG 110 1HD ARG 110 -8.712 4.879 0.603 960 HE ARG 110 HE ARG 110 -8.624 4.453 3.331 961 HH11 ARG 110 1HH1 ARG 110 -10.408 6.547 1.158 962 HH12 ARG 110 2HH1 ARG 110 -11.791 6.649 2.204 963 HH21 ARG 110 1HH2 ARG 110 -10.396 4.605 4.707 964 HH22 ARG 110 2HH2 ARG 110 -11.782 5.542 4.232 965 H ALA 111 H ALA 111 -6.155 5.509 -2.790 966 HA ALA 111 HA ALA 111 -8.940 5.940 -3.132 967 HB1 ALA 111 3HB ALA 111 -8.296 7.095 -5.205 968 HB2 ALA 111 1HB ALA 111 -6.660 6.439 -5.079 969 HB3 ALA 111 2HB ALA 111 -7.259 7.568 -3.862 970 H LEU 112 H LEU 112 -6.588 3.800 -4.723 971 HA LEU 112 HA LEU 112 -8.327 2.786 -6.773 972 HB2 LEU 112 2HB LEU 112 -5.738 1.697 -5.618 973 HB3 LEU 112 1HB LEU 112 -6.561 0.958 -6.984 974 HG LEU 112 HG LEU 112 -5.441 3.790 -6.972 975 HD11 LEU 112 1HD1 LEU 112 -3.659 2.125 -6.805 976 HD12 LEU 112 2HD1 LEU 112 -3.642 2.904 -8.384 977 HD13 LEU 112 3HD1 LEU 112 -4.294 1.274 -8.216 978 HD21 LEU 112 3HD2 LEU 112 -5.808 3.743 -9.401 979 HD22 LEU 112 1HD2 LEU 112 -7.324 3.541 -8.523 980 HD23 LEU 112 2HD2 LEU 112 -6.548 2.145 -9.270 981 H VAL 113 H VAL 113 -7.416 1.634 -3.555 982 HA VAL 113 HA VAL 113 -8.829 -0.829 -3.562 983 HB VAL 113 HB VAL 113 -8.054 0.966 -1.196 984 HG11 VAL 113 1HG1 VAL 113 -9.790 -0.595 -0.492 985 HG12 VAL 113 2HG1 VAL 113 -8.241 -1.079 0.195 986 HG13 VAL 113 3HG1 VAL 113 -8.900 -1.954 -1.185 987 HG21 VAL 113 3HG2 VAL 113 -6.098 0.233 -2.510 988 HG22 VAL 113 1HG2 VAL 113 -6.590 -1.449 -2.322 989 HG23 VAL 113 2HG2 VAL 113 -6.111 -0.502 -0.912 990 H ARG 114 H ARG 114 -9.655 2.488 -2.642 991 HA ARG 114 HA ARG 114 -12.229 1.989 -1.550 992 HB2 ARG 114 2HB ARG 114 -10.894 4.001 -1.051 993 HB3 ARG 114 1HB ARG 114 -11.060 4.543 -2.718 994 HG2 ARG 114 2HG ARG 114 -13.482 4.813 -2.405 995 HG3 ARG 114 1HG ARG 114 -13.347 4.213 -0.750 996 HD2 ARG 114 2HD ARG 114 -11.925 6.133 -0.154 997 HD3 ARG 114 1HD ARG 114 -12.011 6.719 -1.819 998 HE ARG 114 HE ARG 114 -14.628 6.470 -0.901 999 HH11 ARG 114 1HH1 ARG 114 -11.795 8.413 -0.104 1000 HH12 ARG 114 2HH1 ARG 114 -12.727 9.756 0.469 1001 HH21 ARG 114 1HH2 ARG 114 -15.839 8.248 -0.160 1002 HH22 ARG 114 2HH2 ARG 114 -15.034 9.665 0.445 1003 H GLU 115 H GLU 115 -11.099 2.868 -4.764 1004 HA GLU 115 HA GLU 115 -13.631 3.093 -6.057 1005 HB2 GLU 115 2HB GLU 115 -10.835 2.511 -7.140 1006 HB3 GLU 115 1HB GLU 115 -12.240 2.748 -8.177 1007 HG2 GLU 115 2HG GLU 115 -12.491 5.047 -7.395 1008 HG3 GLU 115 1HG GLU 115 -11.195 4.820 -6.226 1009 H CYS 116 H CYS 116 -11.377 0.410 -5.487 1010 HA CYS 116 HA CYS 116 -12.837 -1.507 -7.054 1011 HB2 CYS 116 2HB CYS 116 -10.418 -1.725 -6.750 1012 HB3 CYS 116 1HB CYS 116 -10.627 -1.946 -5.014 1013 HG CYS 116 HG CYS 116 -12.413 -4.262 -5.767 1014 H LEU 117 H LEU 117 -13.038 -0.388 -3.753 1015 HA LEU 117 HA LEU 117 -14.479 -2.417 -2.500 1016 HB2 LEU 117 2HB LEU 117 -14.622 0.600 -2.299 1017 HB3 LEU 117 1HB LEU 117 -15.731 -0.386 -1.368 1018 HG LEU 117 HG LEU 117 -12.699 -0.471 -1.101 1019 HD11 LEU 117 1HD1 LEU 117 -14.793 0.777 0.723 1020 HD12 LEU 117 2HD1 LEU 117 -13.658 1.655 -0.305 1021 HD13 LEU 117 3HD1 LEU 117 -13.057 0.686 1.035 1022 HD21 LEU 117 3HD2 LEU 117 -13.110 -1.869 0.869 1023 HD22 LEU 117 1HD2 LEU 117 -13.798 -2.624 -0.566 1024 HD23 LEU 117 2HD2 LEU 117 -14.852 -1.805 0.585 1025 H ALA 118 H ALA 118 -15.554 0.073 -4.763 1026 HA ALA 118 HA ALA 118 -18.321 -0.314 -4.662 1027 HB1 ALA 118 3HB ALA 118 -18.381 0.831 -6.839 1028 HB2 ALA 118 1HB ALA 118 -16.638 0.591 -7.022 1029 HB3 ALA 118 2HB ALA 118 -17.259 1.622 -5.732 1030 H GLU 119 H GLU 119 -15.932 -1.753 -6.982 1031 HA GLU 119 HA GLU 119 -17.851 -3.466 -8.191 1032 HB2 GLU 119 2HB GLU 119 -16.019 -4.281 -9.497 1033 HB3 GLU 119 1HB GLU 119 -15.865 -2.547 -9.331 1034 HG2 GLU 119 2HG GLU 119 -14.142 -2.979 -7.526 1035 HG3 GLU 119 1HG GLU 119 -14.221 -4.682 -7.961 1036 H THR 120 H THR 120 -15.794 -3.864 -5.412 1037 HA THR 120 HA THR 120 -16.029 -6.738 -5.211 1038 HB THR 120 HB THR 120 -15.203 -4.603 -3.185 1039 HG1 THR 120 HG1 THR 120 -13.730 -6.536 -4.704 1040 HG21 THR 120 3HG2 THR 120 -16.099 -6.510 -1.909 1041 HG22 THR 120 1HG2 THR 120 -14.348 -6.449 -1.764 1042 HG23 THR 120 2HG2 THR 120 -15.096 -7.634 -2.831 1043 H GLU 121 H GLU 121 -17.858 -3.931 -4.175 1044 HA GLU 121 HA GLU 121 -19.685 -5.363 -2.452 1045 HB2 GLU 121 2HB GLU 121 -19.113 -2.898 -2.236 1046 HB3 GLU 121 1HB GLU 121 -20.040 -2.603 -3.696 1047 HG2 GLU 121 2HG GLU 121 -21.261 -2.083 -1.580 1048 HG3 GLU 121 1HG GLU 121 -22.087 -3.244 -2.614 1049 H ARG 122 H ARG 122 -19.400 -4.616 -5.836 1050 HA ARG 122 HA ARG 122 -22.115 -5.209 -6.593 1051 HB2 ARG 122 2HB ARG 122 -20.651 -3.697 -7.946 1052 HB3 ARG 122 1HB ARG 122 -19.544 -5.030 -8.252 1053 HG2 ARG 122 2HG ARG 122 -20.902 -4.673 -10.215 1054 HG3 ARG 122 1HG ARG 122 -21.357 -6.212 -9.485 1055 HD2 ARG 122 2HD ARG 122 -23.312 -5.070 -8.416 1056 HD3 ARG 122 1HD ARG 122 -22.883 -3.594 -9.285 1057 HE ARG 122 HE ARG 122 -23.094 -5.550 -11.211 1058 HH11 ARG 122 1HH1 ARG 122 -25.292 -4.110 -8.849 1059 HH12 ARG 122 2HH1 ARG 122 -26.701 -4.392 -9.818 1060 HH21 ARG 122 1HH2 ARG 122 -24.952 -5.953 -12.440 1061 HH22 ARG 122 2HH2 ARG 122 -26.508 -5.439 -11.866 1062 H ASN 123 H ASN 123 -18.984 -6.864 -6.443 1063 HA ASN 123 HA ASN 123 -19.674 -9.250 -7.775 1064 HB2 ASN 123 2HB ASN 123 -17.315 -8.557 -7.356 1065 HB3 ASN 123 1HB ASN 123 -17.535 -8.849 -5.632 1066 HD21 ASN 123 1HD2 ASN 123 -16.146 -10.547 -5.343 1067 HD22 ASN 123 2HD2 ASN 123 -16.273 -12.065 -6.153 1068 H ALA 124 H ALA 124 -21.204 -10.602 -7.176 1069 HA ALA 124 HA ALA 124 -22.288 -10.763 -4.524 1070 HB1 ALA 124 3HB ALA 124 -22.905 -12.398 -7.005 1071 HB2 ALA 124 1HB ALA 124 -23.731 -10.923 -6.501 1072 HB3 ALA 124 2HB ALA 124 -23.855 -12.382 -5.519 1073 H ARG 125 H ARG 125 -21.023 -11.745 -3.015 1074 HA ARG 125 HA ARG 125 -19.604 -14.216 -3.532 1075 HB2 ARG 125 2HB ARG 125 -18.984 -14.107 -1.118 1076 HB3 ARG 125 1HB ARG 125 -18.581 -12.648 -2.002 1077 HG2 ARG 125 2HG ARG 125 -19.392 -11.839 0.040 1078 HG3 ARG 125 1HG ARG 125 -20.765 -11.653 -1.046 1079 HD2 ARG 125 2HD ARG 125 -21.808 -13.662 -0.110 1080 HD3 ARG 125 1HD ARG 125 -20.398 -13.946 0.912 1081 HE ARG 125 HE ARG 125 -21.232 -11.444 1.602 1082 HH11 ARG 125 1HH1 ARG 125 -22.835 -14.591 1.513 1083 HH12 ARG 125 2HH1 ARG 125 -23.914 -14.206 2.819 1084 HH21 ARG 125 1HH2 ARG 125 -22.622 -10.976 3.344 1085 HH22 ARG 125 2HH2 ARG 125 -23.788 -12.158 3.856 1086 H THR 126 H THR 126 -22.796 -13.377 -2.774 1087 HA THR 126 HA THR 126 -23.580 -15.670 -1.246 1088 HB THR 126 HB THR 126 -25.944 -14.879 -1.878 1089 HG1 THR 126 HG1 THR 126 -25.395 -13.806 -3.814 1090 HG21 THR 126 3HG2 THR 126 -24.115 -12.785 -0.634 1091 HG22 THR 126 1HG2 THR 126 -24.865 -14.127 0.229 1092 HG23 THR 126 2HG2 THR 126 -25.871 -12.858 -0.469 Start of MODEL 8 1 H1 SER 58 1H SER 58 -21.838 -38.836 17.883 2 H2 SER 58 2H SER 58 -22.809 -38.199 16.658 3 H3 SER 58 3H SER 58 -23.479 -38.583 18.157 4 HA SER 58 HA SER 58 -23.191 -36.218 17.938 5 HB2 SER 58 2HB SER 58 -21.854 -35.926 20.076 6 HB3 SER 58 1HB SER 58 -23.092 -37.179 20.177 7 HG SER 58 HG SER 58 -20.290 -37.453 19.966 8 H HIS 59 H HIS 59 -22.194 -34.943 16.521 9 HA HIS 59 HA HIS 59 -19.244 -34.849 16.411 10 HB2 HIS 59 2HB HIS 59 -19.337 -34.247 14.017 11 HB3 HIS 59 1HB HIS 59 -20.095 -35.815 14.278 12 HD1 HIS 59 HD1 HIS 59 -20.730 -32.448 12.952 13 HD2 HIS 59 HD2 HIS 59 -22.987 -35.763 14.023 14 HE1 HIS 59 HE1 HIS 59 -23.013 -32.053 11.992 15 HE2 HIS 59 HE2 HIS 59 -24.386 -33.994 12.791 16 H MET 60 H MET 60 -18.486 -32.888 17.012 17 HA MET 60 HA MET 60 -20.245 -30.674 17.545 18 HB2 MET 60 2HB MET 60 -18.179 -31.189 18.898 19 HB3 MET 60 1HB MET 60 -17.188 -30.727 17.520 20 HG2 MET 60 2HG MET 60 -17.153 -28.837 18.912 21 HG3 MET 60 1HG MET 60 -18.358 -28.418 17.701 22 HE1 MET 60 3HE MET 60 -21.666 -28.290 19.723 23 HE2 MET 60 1HE MET 60 -21.158 -29.444 18.494 24 HE3 MET 60 2HE MET 60 -20.806 -27.728 18.290 25 H ALA 61 H ALA 61 -21.058 -29.522 15.918 26 HA ALA 61 HA ALA 61 -19.372 -28.747 13.601 27 HB1 ALA 61 3HB ALA 61 -20.914 -30.541 12.893 28 HB2 ALA 61 1HB ALA 61 -21.322 -29.010 12.119 29 HB3 ALA 61 2HB ALA 61 -22.295 -29.605 13.469 30 H MET 62 H MET 62 -18.974 -26.810 14.671 31 HA MET 62 HA MET 62 -21.127 -24.811 14.398 32 HB2 MET 62 2HB MET 62 -18.987 -24.855 16.583 33 HB3 MET 62 1HB MET 62 -20.066 -23.503 16.269 34 HG2 MET 62 2HG MET 62 -21.997 -24.880 16.875 35 HG3 MET 62 1HG MET 62 -20.937 -26.261 17.153 36 HE1 MET 62 3HE MET 62 -18.832 -24.957 20.245 37 HE2 MET 62 1HE MET 62 -18.409 -24.678 18.557 38 HE3 MET 62 2HE MET 62 -19.016 -26.256 19.068 39 H LYS 63 H LYS 63 -20.505 -24.110 12.432 40 HA LYS 63 HA LYS 63 -18.049 -22.514 12.324 41 HB2 LYS 63 2HB LYS 63 -17.506 -24.676 11.178 42 HB3 LYS 63 1HB LYS 63 -18.868 -24.432 10.088 43 HG2 LYS 63 2HG LYS 63 -17.764 -22.323 9.266 44 HG3 LYS 63 1HG LYS 63 -16.372 -22.705 10.285 45 HD2 LYS 63 2HD LYS 63 -16.063 -24.840 9.022 46 HD3 LYS 63 1HD LYS 63 -17.426 -24.405 7.986 47 HE2 LYS 63 2HE LYS 63 -16.184 -22.394 7.232 48 HE3 LYS 63 1HE LYS 63 -14.815 -22.880 8.239 49 HZ1 LYS 63 3HZ LYS 63 -14.704 -24.953 6.935 50 HZ2 LYS 63 1HZ LYS 63 -14.443 -23.579 5.999 51 HZ3 LYS 63 2HZ LYS 63 -15.927 -24.373 5.925 52 HA PRO 64 HA PRO 64 -21.616 -19.885 10.962 53 HB2 PRO 64 2HB PRO 64 -20.103 -17.543 11.348 54 HB3 PRO 64 1HB PRO 64 -21.159 -18.275 12.567 55 HG2 PRO 64 2HG PRO 64 -18.186 -18.524 12.261 56 HG3 PRO 64 1HG PRO 64 -19.157 -18.333 13.740 57 HD2 PRO 64 2HD PRO 64 -18.187 -20.736 13.051 58 HD3 PRO 64 1HD PRO 64 -19.806 -20.579 13.774 59 HA PRO 65 HA PRO 65 -19.998 -20.044 6.732 60 HB2 PRO 65 2HB PRO 65 -22.081 -17.895 6.287 61 HB3 PRO 65 1HB PRO 65 -21.798 -19.394 5.375 62 HG2 PRO 65 2HG PRO 65 -23.847 -19.239 7.055 63 HG3 PRO 65 1HG PRO 65 -22.881 -20.732 6.963 64 HD2 PRO 65 2HD PRO 65 -22.834 -18.584 9.071 65 HD3 PRO 65 1HD PRO 65 -22.664 -20.348 9.245 66 H GLY 66 H GLY 66 -17.981 -19.147 6.796 67 HA2 GLY 66 2HA GLY 66 -17.278 -16.475 7.383 68 HA3 GLY 66 1HA GLY 66 -16.263 -17.644 6.561 69 H ALA 67 H ALA 67 -18.656 -17.785 4.548 70 HA ALA 67 HA ALA 67 -17.895 -16.011 2.536 71 HB1 ALA 67 3HB ALA 67 -19.308 -17.984 2.165 72 HB2 ALA 67 1HB ALA 67 -20.083 -16.537 1.520 73 HB3 ALA 67 2HB ALA 67 -20.631 -17.228 3.053 74 H GLN 68 H GLN 68 -19.928 -15.516 5.327 75 HA GLN 68 HA GLN 68 -21.443 -13.276 4.788 76 HB2 GLN 68 2HB GLN 68 -21.506 -14.590 6.918 77 HB3 GLN 68 1HB GLN 68 -19.962 -13.891 7.391 78 HG2 GLN 68 2HG GLN 68 -21.043 -11.624 7.376 79 HG3 GLN 68 1HG GLN 68 -22.586 -12.402 7.019 80 HE21 GLN 68 1HE2 GLN 68 -23.564 -11.723 8.921 81 HE22 GLN 68 2HE2 GLN 68 -23.115 -12.307 10.481 82 H GLY 69 H GLY 69 -20.851 -11.366 3.995 83 HA2 GLY 69 2HA GLY 69 -19.735 -9.406 3.607 84 HA3 GLY 69 1HA GLY 69 -18.717 -9.743 4.999 85 H SER 70 H SER 70 -19.163 -10.389 1.550 86 HA SER 70 HA SER 70 -16.663 -11.726 1.148 87 HB2 SER 70 2HB SER 70 -18.640 -11.975 -0.357 88 HB3 SER 70 1HB SER 70 -18.432 -10.308 -0.896 89 HG SER 70 HG SER 70 -16.607 -10.865 -1.945 90 H GLN 71 H GLN 71 -17.745 -8.387 1.041 91 HA GLN 71 HA GLN 71 -15.272 -7.324 -0.087 92 HB2 GLN 71 2HB GLN 71 -17.839 -6.008 0.897 93 HB3 GLN 71 1HB GLN 71 -16.449 -5.078 0.358 94 HG2 GLN 71 2HG GLN 71 -18.128 -5.205 -1.392 95 HG3 GLN 71 1HG GLN 71 -16.657 -6.031 -1.892 96 HE21 GLN 71 1HE2 GLN 71 -19.982 -6.475 -0.857 97 HE22 GLN 71 2HE2 GLN 71 -20.153 -8.087 -1.454 98 H SER 72 H SER 72 -15.551 -8.656 2.784 99 HA SER 72 HA SER 72 -15.044 -6.489 4.643 100 HB2 SER 72 2HB SER 72 -14.715 -8.301 6.308 101 HB3 SER 72 1HB SER 72 -16.212 -8.545 5.411 102 HG SER 72 HG SER 72 -15.427 -10.457 5.053 103 H THR 73 H THR 73 -13.220 -9.230 3.272 104 HA THR 73 HA THR 73 -10.651 -8.561 4.122 105 HB THR 73 HB THR 73 -11.198 -10.769 3.231 106 HG1 THR 73 HG1 THR 73 -9.363 -9.952 1.300 107 HG21 THR 73 3HG2 THR 73 -11.522 -11.193 0.828 108 HG22 THR 73 1HG2 THR 73 -11.475 -9.458 0.498 109 HG23 THR 73 2HG2 THR 73 -12.796 -10.141 1.448 110 H TYR 74 H TYR 74 -12.579 -7.257 1.508 111 HA TYR 74 HA TYR 74 -10.385 -5.970 0.142 112 HB2 TYR 74 2HB TYR 74 -12.532 -6.752 -0.997 113 HB3 TYR 74 1HB TYR 74 -13.365 -5.411 -0.212 114 HD1 TYR 74 HD1 TYR 74 -9.937 -5.407 -1.675 115 HD2 TYR 74 HD2 TYR 74 -13.958 -4.043 -2.149 116 HE1 TYR 74 HE1 TYR 74 -9.231 -3.967 -3.503 117 HE2 TYR 74 HE2 TYR 74 -13.232 -2.586 -4.005 118 HH TYR 74 HH TYR 74 -10.192 -2.879 -5.484 119 H THR 75 H THR 75 -12.762 -5.097 2.599 120 HA THR 75 HA THR 75 -12.097 -2.308 2.762 121 HB THR 75 HB THR 75 -13.470 -4.119 4.812 122 HG1 THR 75 HG1 THR 75 -14.463 -3.690 2.613 123 HG21 THR 75 3HG2 THR 75 -13.432 -1.077 4.642 124 HG22 THR 75 1HG2 THR 75 -12.605 -2.042 5.870 125 HG23 THR 75 2HG2 THR 75 -14.368 -2.032 5.793 126 H ASP 76 H ASP 76 -10.954 -5.316 4.245 127 HA ASP 76 HA ASP 76 -9.198 -4.299 6.197 128 HB2 ASP 76 2HB ASP 76 -9.752 -6.717 6.069 129 HB3 ASP 76 1HB ASP 76 -8.940 -6.846 4.520 130 H LEU 77 H LEU 77 -8.712 -5.135 2.766 131 HA LEU 77 HA LEU 77 -6.044 -4.500 2.407 132 HB2 LEU 77 2HB LEU 77 -7.371 -5.653 0.717 133 HB3 LEU 77 1HB LEU 77 -8.395 -4.246 0.490 134 HG LEU 77 HG LEU 77 -6.571 -3.020 -0.602 135 HD11 LEU 77 1HD1 LEU 77 -4.801 -5.424 -0.089 136 HD12 LEU 77 2HD1 LEU 77 -4.653 -3.830 0.658 137 HD13 LEU 77 3HD1 LEU 77 -4.386 -4.017 -1.073 138 HD21 LEU 77 3HD2 LEU 77 -6.287 -4.390 -2.617 139 HD22 LEU 77 1HD2 LEU 77 -7.942 -4.454 -2.017 140 HD23 LEU 77 2HD2 LEU 77 -6.851 -5.816 -1.744 141 H LEU 78 H LEU 78 -8.873 -2.346 2.092 142 HA LEU 78 HA LEU 78 -7.607 0.067 1.463 143 HB2 LEU 78 2HB LEU 78 -10.095 -0.386 1.460 144 HB3 LEU 78 1HB LEU 78 -10.068 -0.314 3.211 145 HG LEU 78 HG LEU 78 -9.336 2.083 3.081 146 HD11 LEU 78 1HD1 LEU 78 -9.793 1.812 0.100 147 HD12 LEU 78 2HD1 LEU 78 -8.232 2.026 0.894 148 HD13 LEU 78 3HD1 LEU 78 -9.441 3.302 0.979 149 HD21 LEU 78 3HD2 LEU 78 -11.498 3.006 2.397 150 HD22 LEU 78 1HD2 LEU 78 -11.702 1.547 3.366 151 HD23 LEU 78 2HD2 LEU 78 -11.919 1.480 1.615 152 H SER 79 H SER 79 -8.192 -1.481 4.590 153 HA SER 79 HA SER 79 -7.207 0.665 6.215 154 HB2 SER 79 2HB SER 79 -7.694 -2.257 6.928 155 HB3 SER 79 1HB SER 79 -7.457 -0.932 8.074 156 HG SER 79 HG SER 79 -9.534 -1.015 6.146 157 H VAL 80 H VAL 80 -5.705 -2.099 4.618 158 HA VAL 80 HA VAL 80 -3.275 -2.115 6.145 159 HB VAL 80 HB VAL 80 -3.655 -3.151 3.286 160 HG11 VAL 80 1HG1 VAL 80 -1.541 -3.825 5.377 161 HG12 VAL 80 2HG1 VAL 80 -1.284 -2.884 3.904 162 HG13 VAL 80 3HG1 VAL 80 -1.704 -4.593 3.796 163 HG21 VAL 80 3HG2 VAL 80 -5.255 -4.263 4.762 164 HG22 VAL 80 1HG2 VAL 80 -3.975 -4.646 5.915 165 HG23 VAL 80 2HG2 VAL 80 -3.976 -5.387 4.313 166 H ILE 81 H ILE 81 -4.358 -0.501 3.177 167 HA ILE 81 HA ILE 81 -2.050 0.883 2.461 168 HB ILE 81 HB ILE 81 -4.838 2.134 2.371 169 HG12 ILE 81 2HG1 ILE 81 -5.126 -0.059 1.391 170 HG13 ILE 81 1HG1 ILE 81 -5.081 1.099 0.074 171 HG21 ILE 81 1HG2 ILE 81 -3.984 3.277 0.344 172 HG22 ILE 81 2HG2 ILE 81 -2.409 2.518 0.586 173 HG23 ILE 81 3HG2 ILE 81 -3.025 3.665 1.778 174 HD11 ILE 81 3HD1 ILE 81 -2.744 0.430 -0.384 175 HD12 ILE 81 1HD1 ILE 81 -3.893 -0.900 -0.514 176 HD13 ILE 81 2HD1 ILE 81 -2.861 -0.770 0.907 177 H GLU 82 H GLU 82 -4.386 1.526 5.027 178 HA GLU 82 HA GLU 82 -3.183 3.980 5.933 179 HB2 GLU 82 2HB GLU 82 -5.571 3.530 6.304 180 HB3 GLU 82 1HB GLU 82 -5.180 2.126 7.294 181 HG2 GLU 82 2HG GLU 82 -4.142 3.571 8.986 182 HG3 GLU 82 1HG GLU 82 -4.423 4.989 7.979 183 H GLU 83 H GLU 83 -2.865 0.531 6.831 184 HA GLU 83 HA GLU 83 -1.448 0.849 9.262 185 HB2 GLU 83 2HB GLU 83 -1.328 -1.459 7.271 186 HB3 GLU 83 1HB GLU 83 -0.589 -1.492 8.868 187 HG2 GLU 83 2HG GLU 83 -2.903 -1.153 9.851 188 HG3 GLU 83 1HG GLU 83 -3.544 -1.362 8.219 189 H MET 84 H MET 84 -0.278 0.430 5.911 190 HA MET 84 HA MET 84 2.468 0.889 6.557 191 HB2 MET 84 2HB MET 84 2.841 0.921 4.153 192 HB3 MET 84 1HB MET 84 1.703 -0.366 4.513 193 HG2 MET 84 2HG MET 84 -0.142 1.033 3.738 194 HG3 MET 84 1HG MET 84 0.973 2.359 3.431 195 HE1 MET 84 3HE MET 84 0.510 -1.431 0.876 196 HE2 MET 84 1HE MET 84 -0.659 -0.850 2.059 197 HE3 MET 84 2HE MET 84 0.868 -1.553 2.597 198 H GLY 85 H GLY 85 -0.273 2.910 5.632 199 HA2 GLY 85 2HA GLY 85 1.025 5.221 4.735 200 HA3 GLY 85 1HA GLY 85 -0.615 5.137 5.340 201 H LYS 86 H LYS 86 0.157 4.241 7.968 202 HA LYS 86 HA LYS 86 0.797 6.798 9.175 203 HB2 LYS 86 2HB LYS 86 0.332 5.623 11.312 204 HB3 LYS 86 1HB LYS 86 -0.975 5.433 10.150 205 HG2 LYS 86 2HG LYS 86 -0.085 3.166 9.577 206 HG3 LYS 86 1HG LYS 86 1.125 3.349 10.843 207 HD2 LYS 86 2HD LYS 86 -1.863 3.468 11.389 208 HD3 LYS 86 1HD LYS 86 -0.946 1.964 11.408 209 HE2 LYS 86 2HE LYS 86 -1.189 2.748 13.672 210 HE3 LYS 86 1HE LYS 86 0.503 2.915 13.208 211 HZ1 LYS 86 3HZ LYS 86 -1.478 5.133 13.190 212 HZ2 LYS 86 1HZ LYS 86 0.185 5.264 12.912 213 HZ3 LYS 86 2HZ LYS 86 -0.386 4.831 14.440 214 H GLU 87 H GLU 87 2.370 3.664 8.670 215 HA GLU 87 HA GLU 87 4.544 4.198 10.483 216 HB2 GLU 87 2HB GLU 87 4.143 1.971 8.456 217 HB3 GLU 87 1HB GLU 87 5.491 2.047 9.590 218 HG2 GLU 87 2HG GLU 87 2.552 1.694 10.227 219 HG3 GLU 87 1HG GLU 87 3.865 0.550 10.509 220 H ILE 88 H ILE 88 3.951 5.400 7.429 221 HA ILE 88 HA ILE 88 6.482 5.349 6.187 222 HB ILE 88 HB ILE 88 4.296 7.483 6.036 223 HG12 ILE 88 2HG1 ILE 88 4.910 5.125 4.189 224 HG13 ILE 88 1HG1 ILE 88 3.556 5.235 5.307 225 HG21 ILE 88 1HG2 ILE 88 6.413 8.473 5.307 226 HG22 ILE 88 2HG2 ILE 88 5.368 8.218 3.912 227 HG23 ILE 88 3HG2 ILE 88 6.708 7.116 4.219 228 HD11 ILE 88 3HD1 ILE 88 2.649 7.103 4.027 229 HD12 ILE 88 1HD1 ILE 88 2.843 5.652 3.050 230 HD13 ILE 88 2HD1 ILE 88 3.992 6.978 2.887 231 H ARG 89 H ARG 89 5.053 7.684 8.503 232 HA ARG 89 HA ARG 89 7.168 9.553 8.425 233 HB2 ARG 89 2HB ARG 89 4.940 10.212 9.170 234 HB3 ARG 89 1HB ARG 89 5.035 9.127 10.553 235 HG2 ARG 89 2HG ARG 89 6.859 10.493 11.503 236 HG3 ARG 89 1HG ARG 89 6.783 11.567 10.108 237 HD2 ARG 89 2HD ARG 89 4.448 12.167 10.725 238 HD3 ARG 89 1HD ARG 89 4.575 11.125 12.148 239 HE ARG 89 HE ARG 89 6.691 13.024 12.104 240 HH11 ARG 89 1HH1 ARG 89 3.236 12.847 12.768 241 HH12 ARG 89 2HH1 ARG 89 3.253 14.200 13.859 242 HH21 ARG 89 1HH2 ARG 89 6.707 14.773 13.571 243 HH22 ARG 89 2HH2 ARG 89 5.222 15.286 14.311 244 HA PRO 90 HA PRO 90 8.971 7.603 12.508 245 HB2 PRO 90 2HB PRO 90 8.287 4.981 13.133 246 HB3 PRO 90 1HB PRO 90 7.490 6.411 13.812 247 HG2 PRO 90 2HG PRO 90 6.582 4.645 11.573 248 HG3 PRO 90 1HG PRO 90 5.633 5.391 12.879 249 HD2 PRO 90 2HD PRO 90 5.690 6.404 10.358 250 HD3 PRO 90 1HD PRO 90 5.484 7.428 11.790 251 H THR 91 H THR 91 8.317 5.274 9.852 252 HA THR 91 HA THR 91 10.822 3.991 9.687 253 HB THR 91 HB THR 91 8.906 4.777 7.447 254 HG1 THR 91 HG1 THR 91 7.938 2.980 7.971 255 HG21 THR 91 3HG2 THR 91 11.305 2.908 7.290 256 HG22 THR 91 1HG2 THR 91 11.115 4.429 6.414 257 HG23 THR 91 2HG2 THR 91 10.068 3.059 6.045 258 H TYR 92 H TYR 92 9.690 6.982 8.185 259 HA TYR 92 HA TYR 92 12.021 7.737 6.832 260 HB2 TYR 92 2HB TYR 92 9.741 8.682 6.374 261 HB3 TYR 92 1HB TYR 92 9.804 9.556 7.905 262 HD1 TYR 92 HD2 TYR 92 11.650 9.148 4.682 263 HD2 TYR 92 HD1 TYR 92 10.725 11.770 7.912 264 HE1 TYR 92 HE2 TYR 92 12.842 10.945 3.559 265 HE2 TYR 92 HE1 TYR 92 11.936 13.588 6.780 266 HH TYR 92 HH TYR 92 13.858 13.680 5.048 267 H ALA 93 H ALA 93 11.114 7.992 10.187 268 HA ALA 93 HA ALA 93 13.111 10.014 10.872 269 HB1 ALA 93 3HB ALA 93 10.878 10.054 11.908 270 HB2 ALA 93 1HB ALA 93 12.141 9.850 13.121 271 HB3 ALA 93 2HB ALA 93 11.164 8.465 12.620 272 H GLY 94 H GLY 94 13.507 6.915 10.069 273 HA2 GLY 94 2HA GLY 94 15.489 5.724 10.247 274 HA3 GLY 94 1HA GLY 94 15.928 6.637 11.677 275 H SER 95 H SER 95 12.800 5.550 12.143 276 HA SER 95 HA SER 95 13.566 3.505 13.999 277 HB2 SER 95 2HB SER 95 10.787 4.252 13.003 278 HB3 SER 95 1HB SER 95 11.164 3.313 14.451 279 HG SER 95 HG SER 95 12.485 5.302 14.987 280 H LYS 96 H LYS 96 14.437 1.715 13.086 281 HA LYS 96 HA LYS 96 13.621 0.348 10.782 282 HB2 LYS 96 2HB LYS 96 14.945 -1.599 11.593 283 HB3 LYS 96 1HB LYS 96 15.832 -0.091 11.637 284 HG2 LYS 96 2HG LYS 96 14.504 -1.118 14.144 285 HG3 LYS 96 1HG LYS 96 16.044 -1.796 13.612 286 HD2 LYS 96 2HD LYS 96 17.016 0.531 13.653 287 HD3 LYS 96 1HD LYS 96 15.490 1.115 14.317 288 HE2 LYS 96 2HE LYS 96 15.806 -0.435 16.264 289 HE3 LYS 96 1HE LYS 96 17.389 -0.864 15.612 290 HZ1 LYS 96 3HZ LYS 96 17.526 0.840 17.332 291 HZ2 LYS 96 1HZ LYS 96 16.552 1.872 16.414 292 HZ3 LYS 96 2HZ LYS 96 18.078 1.428 15.849 293 H SER 97 H SER 97 12.380 0.117 14.050 294 HA SER 97 HA SER 97 10.956 -2.314 13.883 295 HB2 SER 97 2HB SER 97 11.333 -1.165 16.033 296 HB3 SER 97 1HB SER 97 10.337 0.194 15.516 297 HG SER 97 HG SER 97 8.874 -1.985 15.221 298 H ALA 98 H ALA 98 9.956 1.042 13.227 299 HA ALA 98 HA ALA 98 7.331 0.496 12.288 300 HB1 ALA 98 3HB ALA 98 9.130 2.887 11.752 301 HB2 ALA 98 1HB ALA 98 8.023 2.694 13.111 302 HB3 ALA 98 2HB ALA 98 7.385 2.809 11.472 303 H MET 99 H MET 99 10.490 0.771 10.719 304 HA MET 99 HA MET 99 9.678 0.848 8.035 305 HB2 MET 99 2HB MET 99 11.894 1.541 8.716 306 HB3 MET 99 1HB MET 99 12.275 -0.056 9.338 307 HG2 MET 99 2HG MET 99 11.652 0.294 6.410 308 HG3 MET 99 1HG MET 99 13.243 0.712 7.030 309 HE1 MET 99 3HE MET 99 14.442 -2.727 8.497 310 HE2 MET 99 1HE MET 99 13.602 -1.439 9.357 311 HE3 MET 99 2HE MET 99 14.884 -1.044 8.208 312 H GLU 100 H GLU 100 10.484 -1.879 10.150 313 HA GLU 100 HA GLU 100 10.222 -3.967 8.240 314 HB2 GLU 100 2HB GLU 100 11.362 -4.169 10.482 315 HB3 GLU 100 1HB GLU 100 9.782 -4.087 11.258 316 HG2 GLU 100 2HG GLU 100 9.140 -6.172 9.947 317 HG3 GLU 100 1HG GLU 100 10.824 -6.281 9.432 318 H ARG 101 H ARG 101 7.961 -2.236 10.268 319 HA ARG 101 HA ARG 101 5.695 -3.999 9.870 320 HB2 ARG 101 2HB ARG 101 6.089 -2.794 11.978 321 HB3 ARG 101 1HB ARG 101 5.960 -1.245 11.154 322 HG2 ARG 101 2HG ARG 101 3.622 -1.482 10.838 323 HG3 ARG 101 1HG ARG 101 3.662 -3.215 11.180 324 HD2 ARG 101 2HD ARG 101 2.707 -1.856 13.043 325 HD3 ARG 101 1HD ARG 101 4.116 -2.806 13.524 326 HE ARG 101 HE ARG 101 4.727 -0.091 12.735 327 HH11 ARG 101 1HH1 ARG 101 3.817 -2.131 15.461 328 HH12 ARG 101 2HH1 ARG 101 4.440 -1.021 16.641 329 HH21 ARG 101 1HH2 ARG 101 5.516 1.350 14.287 330 HH22 ARG 101 2HH2 ARG 101 5.403 0.952 15.981 331 H LEU 102 H LEU 102 7.011 -1.130 8.428 332 HA LEU 102 HA LEU 102 4.810 -0.398 6.747 333 HB2 LEU 102 2HB LEU 102 6.603 1.179 7.355 334 HB3 LEU 102 1HB LEU 102 7.805 0.150 6.597 335 HG LEU 102 HG LEU 102 6.819 0.641 4.363 336 HD11 LEU 102 1HD1 LEU 102 4.975 2.534 5.833 337 HD12 LEU 102 2HD1 LEU 102 4.504 1.057 4.986 338 HD13 LEU 102 3HD1 LEU 102 5.164 2.416 4.081 339 HD21 LEU 102 3HD2 LEU 102 7.589 2.929 4.175 340 HD22 LEU 102 1HD2 LEU 102 8.658 2.016 5.233 341 HD23 LEU 102 2HD2 LEU 102 7.488 3.144 5.925 342 H LYS 103 H LYS 103 7.747 -2.417 6.399 343 HA LYS 103 HA LYS 103 7.316 -3.404 3.804 344 HB2 LYS 103 2HB LYS 103 8.692 -4.752 6.167 345 HB3 LYS 103 1HB LYS 103 8.786 -5.323 4.501 346 HG2 LYS 103 2HG LYS 103 9.930 -3.250 3.826 347 HG3 LYS 103 1HG LYS 103 9.763 -2.609 5.458 348 HD2 LYS 103 2HD LYS 103 12.025 -3.397 5.202 349 HD3 LYS 103 1HD LYS 103 11.189 -4.502 6.295 350 HE2 LYS 103 2HE LYS 103 12.624 -5.689 4.668 351 HE3 LYS 103 1HE LYS 103 10.925 -6.129 4.482 352 HZ1 LYS 103 3HZ LYS 103 12.416 -4.188 2.800 353 HZ2 LYS 103 1HZ LYS 103 10.784 -4.571 2.625 354 HZ3 LYS 103 2HZ LYS 103 11.960 -5.747 2.339 355 H ARG 104 H ARG 104 6.153 -4.559 6.978 356 HA ARG 104 HA ARG 104 4.769 -6.842 6.087 357 HB2 ARG 104 2HB ARG 104 5.197 -6.329 8.515 358 HB3 ARG 104 1HB ARG 104 3.986 -5.052 8.436 359 HG2 ARG 104 2HG ARG 104 2.308 -6.852 7.731 360 HG3 ARG 104 1HG ARG 104 3.547 -8.041 8.129 361 HD2 ARG 104 2HD ARG 104 3.550 -7.211 10.474 362 HD3 ARG 104 1HD ARG 104 2.280 -6.056 10.049 363 HE ARG 104 HE ARG 104 2.001 -9.001 10.001 364 HH11 ARG 104 1HH1 ARG 104 0.461 -5.840 10.305 365 HH12 ARG 104 2HH1 ARG 104 -1.103 -6.515 10.654 366 HH21 ARG 104 1HH2 ARG 104 -0.041 -9.856 10.438 367 HH22 ARG 104 2HH2 ARG 104 -1.387 -8.795 10.729 368 H GLY 105 H GLY 105 3.834 -3.428 6.294 369 HA2 GLY 105 2HA GLY 105 1.162 -3.521 5.574 370 HA3 GLY 105 1HA GLY 105 2.266 -2.216 5.155 371 H ILE 106 H ILE 106 4.018 -3.419 3.432 372 HA ILE 106 HA ILE 106 2.505 -3.576 1.023 373 HB ILE 106 HB ILE 106 5.435 -3.695 1.700 374 HG12 ILE 106 2HG1 ILE 106 5.508 -1.863 -0.034 375 HG13 ILE 106 1HG1 ILE 106 3.777 -2.021 -0.240 376 HG21 ILE 106 1HG2 ILE 106 4.423 -4.504 -1.050 377 HG22 ILE 106 2HG2 ILE 106 5.300 -5.536 0.081 378 HG23 ILE 106 3HG2 ILE 106 6.103 -4.142 -0.643 379 HD11 ILE 106 3HD1 ILE 106 3.446 -1.256 2.043 380 HD12 ILE 106 1HD1 ILE 106 4.400 -0.107 1.102 381 HD13 ILE 106 2HD1 ILE 106 5.195 -1.165 2.265 382 H ILE 107 H ILE 107 4.041 -6.075 3.049 383 HA ILE 107 HA ILE 107 3.807 -8.259 1.240 384 HB ILE 107 HB ILE 107 3.945 -8.203 4.295 385 HG12 ILE 107 2HG1 ILE 107 6.131 -8.867 2.259 386 HG13 ILE 107 1HG1 ILE 107 5.939 -7.297 3.027 387 HG21 ILE 107 1HG2 ILE 107 4.542 -10.607 4.207 388 HG22 ILE 107 2HG2 ILE 107 4.236 -10.620 2.471 389 HG23 ILE 107 3HG2 ILE 107 2.909 -10.320 3.594 390 HD11 ILE 107 3HD1 ILE 107 7.683 -8.534 4.103 391 HD12 ILE 107 1HD1 ILE 107 6.596 -9.888 4.415 392 HD13 ILE 107 2HD1 ILE 107 6.332 -8.337 5.217 393 H HIS 108 H HIS 108 1.765 -7.080 3.845 394 HA HIS 108 HA HIS 108 -0.313 -8.990 3.776 395 HB2 HIS 108 2HB HIS 108 0.191 -7.400 5.683 396 HB3 HIS 108 1HB HIS 108 -0.463 -6.085 4.721 397 HD1 HIS 108 HD1 HIS 108 -1.849 -6.153 7.182 398 HD2 HIS 108 HD2 HIS 108 -2.911 -8.881 4.239 399 HE1 HIS 108 HE1 HIS 108 -4.137 -6.960 7.803 400 HE2 HIS 108 HE2 HIS 108 -4.840 -8.395 5.871 401 H ALA 109 H ALA 109 -0.072 -5.698 2.381 402 HA ALA 109 HA ALA 109 -2.645 -5.652 1.198 403 HB1 ALA 109 3HB ALA 109 -1.875 -3.658 0.001 404 HB2 ALA 109 1HB ALA 109 -0.200 -4.008 0.465 405 HB3 ALA 109 2HB ALA 109 -1.396 -3.601 1.695 406 H ARG 110 H ARG 110 0.547 -6.528 -0.091 407 HA ARG 110 HA ARG 110 -0.231 -6.657 -2.828 408 HB2 ARG 110 2HB ARG 110 2.136 -6.343 -2.011 409 HB3 ARG 110 1HB ARG 110 2.151 -8.026 -1.489 410 HG2 ARG 110 2HG ARG 110 1.761 -8.730 -3.837 411 HG3 ARG 110 1HG ARG 110 1.804 -7.040 -4.334 412 HD2 ARG 110 2HD ARG 110 4.155 -6.867 -3.691 413 HD3 ARG 110 1HD ARG 110 4.123 -8.506 -3.021 414 HE ARG 110 HE ARG 110 4.318 -7.744 -5.798 415 HH11 ARG 110 1HH1 ARG 110 3.470 -10.369 -3.598 416 HH12 ARG 110 2HH1 ARG 110 3.690 -11.598 -4.804 417 HH21 ARG 110 1HH2 ARG 110 4.500 -9.351 -7.369 418 HH22 ARG 110 2HH2 ARG 110 4.271 -11.019 -6.946 419 H ALA 111 H ALA 111 -0.005 -9.051 -0.222 420 HA ALA 111 HA ALA 111 -0.558 -11.391 -1.713 421 HB1 ALA 111 3HB ALA 111 -1.104 -12.417 0.461 422 HB2 ALA 111 1HB ALA 111 -1.141 -10.819 1.222 423 HB3 ALA 111 2HB ALA 111 0.369 -11.457 0.571 424 H LEU 112 H LEU 112 -2.581 -8.995 -0.165 425 HA LEU 112 HA LEU 112 -5.116 -10.291 -0.435 426 HB2 LEU 112 2HB LEU 112 -4.353 -7.385 0.006 427 HB3 LEU 112 1HB LEU 112 -6.033 -7.893 -0.102 428 HG LEU 112 HG LEU 112 -4.063 -8.934 1.975 429 HD11 LEU 112 1HD1 LEU 112 -4.501 -6.555 2.319 430 HD12 LEU 112 2HD1 LEU 112 -5.241 -7.528 3.588 431 HD13 LEU 112 3HD1 LEU 112 -6.241 -6.854 2.298 432 HD21 LEU 112 3HD2 LEU 112 -5.835 -10.541 1.482 433 HD22 LEU 112 1HD2 LEU 112 -7.070 -9.301 1.744 434 HD23 LEU 112 2HD2 LEU 112 -6.059 -9.846 3.084 435 H VAL 113 H VAL 113 -3.526 -7.713 -2.351 436 HA VAL 113 HA VAL 113 -5.541 -7.450 -4.300 437 HB VAL 113 HB VAL 113 -2.563 -6.884 -4.711 438 HG11 VAL 113 1HG1 VAL 113 -3.820 -6.911 -6.821 439 HG12 VAL 113 2HG1 VAL 113 -3.345 -5.262 -6.424 440 HG13 VAL 113 3HG1 VAL 113 -5.008 -5.784 -6.159 441 HG21 VAL 113 3HG2 VAL 113 -3.397 -5.685 -2.723 442 HG22 VAL 113 1HG2 VAL 113 -4.705 -4.989 -3.677 443 HG23 VAL 113 2HG2 VAL 113 -3.028 -4.561 -4.030 444 H ARG 114 H ARG 114 -2.657 -9.492 -4.095 445 HA ARG 114 HA ARG 114 -2.562 -10.518 -6.693 446 HB2 ARG 114 2HB ARG 114 -0.700 -10.745 -5.061 447 HB3 ARG 114 1HB ARG 114 -1.675 -11.842 -4.087 448 HG2 ARG 114 2HG ARG 114 -0.051 -13.110 -5.400 449 HG3 ARG 114 1HG ARG 114 -1.684 -13.483 -5.956 450 HD2 ARG 114 2HD ARG 114 -1.360 -11.840 -7.831 451 HD3 ARG 114 1HD ARG 114 0.319 -11.632 -7.309 452 HE ARG 114 HE ARG 114 -0.159 -14.374 -7.701 453 HH11 ARG 114 1HH1 ARG 114 0.042 -11.421 -9.613 454 HH12 ARG 114 2HH1 ARG 114 0.559 -12.242 -11.049 455 HH21 ARG 114 1HH2 ARG 114 0.475 -15.438 -9.609 456 HH22 ARG 114 2HH2 ARG 114 0.807 -14.526 -11.050 457 H GLU 115 H GLU 115 -3.897 -12.117 -3.765 458 HA GLU 115 HA GLU 115 -5.038 -14.322 -5.110 459 HB2 GLU 115 2HB GLU 115 -6.159 -14.845 -3.002 460 HB3 GLU 115 1HB GLU 115 -4.508 -14.321 -2.687 461 HG2 GLU 115 2HG GLU 115 -5.361 -12.066 -2.069 462 HG3 GLU 115 1HG GLU 115 -7.009 -12.633 -2.328 463 H CYS 116 H CYS 116 -6.335 -11.115 -4.400 464 HA CYS 116 HA CYS 116 -9.082 -11.800 -5.024 465 HB2 CYS 116 2HB CYS 116 -7.762 -9.120 -4.510 466 HB3 CYS 116 1HB CYS 116 -9.490 -9.335 -4.793 467 HG CYS 116 HG CYS 116 -7.695 -10.554 -2.148 468 H LEU 117 H LEU 117 -6.313 -10.722 -6.893 469 HA LEU 117 HA LEU 117 -7.505 -9.605 -9.155 470 HB2 LEU 117 2HB LEU 117 -5.062 -11.381 -8.870 471 HB3 LEU 117 1HB LEU 117 -5.551 -10.780 -10.445 472 HG LEU 117 HG LEU 117 -4.842 -8.986 -8.088 473 HD11 LEU 117 1HD1 LEU 117 -3.132 -9.717 -10.481 474 HD12 LEU 117 2HD1 LEU 117 -2.876 -10.244 -8.814 475 HD13 LEU 117 3HD1 LEU 117 -2.730 -8.539 -9.227 476 HD21 LEU 117 3HD2 LEU 117 -5.288 -8.306 -11.007 477 HD22 LEU 117 1HD2 LEU 117 -4.790 -7.181 -9.741 478 HD23 LEU 117 2HD2 LEU 117 -6.381 -7.934 -9.675 479 H ALA 118 H ALA 118 -7.447 -12.942 -8.084 480 HA ALA 118 HA ALA 118 -8.308 -14.346 -10.300 481 HB1 ALA 118 3HB ALA 118 -9.220 -16.000 -8.719 482 HB2 ALA 118 1HB ALA 118 -9.109 -14.808 -7.414 483 HB3 ALA 118 2HB ALA 118 -7.645 -15.409 -8.189 484 H GLU 119 H GLU 119 -10.429 -12.852 -7.796 485 HA GLU 119 HA GLU 119 -12.831 -13.267 -9.357 486 HB2 GLU 119 2HB GLU 119 -13.962 -12.189 -7.428 487 HB3 GLU 119 1HB GLU 119 -12.923 -13.527 -6.955 488 HG2 GLU 119 2HG GLU 119 -11.144 -11.778 -6.381 489 HG3 GLU 119 1HG GLU 119 -12.408 -10.568 -6.590 490 H THR 120 H THR 120 -10.541 -10.694 -8.958 491 HA THR 120 HA THR 120 -12.185 -8.590 -10.002 492 HB THR 120 HB THR 120 -9.145 -8.761 -9.793 493 HG1 THR 120 HG1 THR 120 -10.560 -8.848 -7.814 494 HG21 THR 120 3HG2 THR 120 -9.817 -6.978 -11.386 495 HG22 THR 120 1HG2 THR 120 -9.192 -6.281 -9.892 496 HG23 THR 120 2HG2 THR 120 -10.929 -6.314 -10.186 497 H GLU 121 H GLU 121 -10.344 -11.190 -11.436 498 HA GLU 121 HA GLU 121 -10.140 -10.336 -14.082 499 HB2 GLU 121 2HB GLU 121 -9.333 -12.548 -13.166 500 HB3 GLU 121 1HB GLU 121 -10.998 -13.124 -13.199 501 HG2 GLU 121 2HG GLU 121 -9.847 -13.967 -15.147 502 HG3 GLU 121 1HG GLU 121 -11.027 -12.770 -15.679 503 H ARG 122 H ARG 122 -12.963 -11.278 -12.245 504 HA ARG 122 HA ARG 122 -14.852 -11.309 -14.429 505 HB2 ARG 122 2HB ARG 122 -15.056 -12.620 -12.256 506 HB3 ARG 122 1HB ARG 122 -15.400 -11.104 -11.430 507 HG2 ARG 122 2HG ARG 122 -17.434 -10.819 -12.821 508 HG3 ARG 122 1HG ARG 122 -17.070 -12.336 -13.649 509 HD2 ARG 122 2HD ARG 122 -17.240 -13.521 -11.442 510 HD3 ARG 122 1HD ARG 122 -17.737 -11.991 -10.705 511 HE ARG 122 HE ARG 122 -19.243 -13.380 -12.840 512 HH11 ARG 122 1HH1 ARG 122 -19.239 -11.451 -9.903 513 HH12 ARG 122 2HH1 ARG 122 -20.969 -11.402 -9.794 514 HH21 ARG 122 1HH2 ARG 122 -21.508 -13.278 -12.709 515 HH22 ARG 122 2HH2 ARG 122 -22.246 -12.438 -11.385 516 H ASN 123 H ASN 123 -13.540 -8.914 -12.285 517 HA ASN 123 HA ASN 123 -15.449 -6.813 -12.660 518 HB2 ASN 123 2HB ASN 123 -13.977 -6.722 -10.732 519 HB3 ASN 123 1HB ASN 123 -12.539 -6.845 -11.731 520 HD21 ASN 123 1HD2 ASN 123 -14.933 -4.715 -10.437 521 HD22 ASN 123 2HD2 ASN 123 -14.205 -3.243 -10.962 522 H ALA 124 H ALA 124 -15.361 -5.071 -14.054 523 HA ALA 124 HA ALA 124 -13.422 -4.980 -16.256 524 HB1 ALA 124 3HB ALA 124 -16.440 -5.036 -16.688 525 HB2 ALA 124 1HB ALA 124 -15.322 -6.348 -17.072 526 HB3 ALA 124 2HB ALA 124 -15.213 -4.818 -17.939 527 H ARG 125 H ARG 125 -13.031 -3.282 -14.410 528 HA ARG 125 HA ARG 125 -14.682 -0.888 -14.556 529 HB2 ARG 125 2HB ARG 125 -13.646 -1.586 -12.402 530 HB3 ARG 125 1HB ARG 125 -12.039 -1.369 -13.093 531 HG2 ARG 125 2HG ARG 125 -12.336 1.011 -13.267 532 HG3 ARG 125 1HG ARG 125 -14.057 0.893 -12.889 533 HD2 ARG 125 2HD ARG 125 -13.457 0.085 -10.595 534 HD3 ARG 125 1HD ARG 125 -11.755 0.305 -10.994 535 HE ARG 125 HE ARG 125 -11.977 2.553 -10.681 536 HH11 ARG 125 1HH1 ARG 125 -15.217 1.178 -10.867 537 HH12 ARG 125 2HH1 ARG 125 -15.991 2.655 -10.408 538 HH21 ARG 125 1HH2 ARG 125 -13.010 4.483 -10.119 539 HH22 ARG 125 2HH2 ARG 125 -14.743 4.530 -9.982 540 H THR 126 H THR 126 -14.131 1.025 -15.540 541 HA THR 126 HA THR 126 -12.618 0.903 -17.927 542 HB THR 126 HB THR 126 -13.176 3.383 -18.102 543 HG1 THR 126 HG1 THR 126 -13.240 3.854 -15.850 544 HG21 THR 126 3HG2 THR 126 -15.606 3.081 -18.358 545 HG22 THR 126 1HG2 THR 126 -15.538 1.592 -17.419 546 HG23 THR 126 2HG2 THR 126 -14.742 1.678 -18.994 547 H1 SER 58 1H SER 58 17.993 -24.793 -11.411 548 H2 SER 58 2H SER 58 17.460 -26.225 -10.697 549 H3 SER 58 3H SER 58 16.881 -24.749 -10.135 550 HA SER 58 HA SER 58 16.407 -25.909 -12.803 551 HB2 SER 58 2HB SER 58 14.491 -25.501 -10.465 552 HB3 SER 58 1HB SER 58 14.083 -26.210 -12.029 553 HG SER 58 HG SER 58 15.346 -27.332 -9.847 554 H HIS 59 H HIS 59 15.844 -24.438 -14.317 555 HA HIS 59 HA HIS 59 15.635 -21.617 -13.688 556 HB2 HIS 59 2HB HIS 59 15.279 -23.057 -16.361 557 HB3 HIS 59 1HB HIS 59 15.412 -21.314 -16.148 558 HD1 HIS 59 HD1 HIS 59 17.413 -24.157 -16.973 559 HD2 HIS 59 HD2 HIS 59 18.077 -20.636 -14.863 560 HE1 HIS 59 HE1 HIS 59 19.902 -23.841 -16.962 561 HE2 HIS 59 HE2 HIS 59 20.269 -21.678 -15.735 562 H MET 60 H MET 60 13.775 -21.519 -12.382 563 HA MET 60 HA MET 60 11.185 -22.385 -13.527 564 HB2 MET 60 2HB MET 60 11.964 -21.818 -10.631 565 HB3 MET 60 1HB MET 60 10.351 -22.279 -11.165 566 HG2 MET 60 2HG MET 60 11.201 -24.443 -11.940 567 HG3 MET 60 1HG MET 60 12.836 -23.977 -11.477 568 HE1 MET 60 3HE MET 60 12.621 -23.927 -7.556 569 HE2 MET 60 1HE MET 60 12.436 -22.540 -8.627 570 HE3 MET 60 2HE MET 60 13.674 -23.753 -8.960 571 H ALA 61 H ALA 61 11.327 -20.429 -14.907 572 HA ALA 61 HA ALA 61 10.615 -17.867 -13.708 573 HB1 ALA 61 3HB ALA 61 10.576 -18.742 -16.630 574 HB2 ALA 61 1HB ALA 61 11.900 -17.909 -15.813 575 HB3 ALA 61 2HB ALA 61 10.355 -17.093 -16.039 576 H MET 62 H MET 62 8.733 -18.089 -12.601 577 HA MET 62 HA MET 62 6.258 -18.745 -14.045 578 HB2 MET 62 2HB MET 62 7.078 -20.872 -12.990 579 HB3 MET 62 1HB MET 62 7.052 -20.099 -11.412 580 HG2 MET 62 2HG MET 62 4.622 -19.917 -11.496 581 HG3 MET 62 1HG MET 62 4.595 -20.508 -13.155 582 HE1 MET 62 3HE MET 62 5.656 -24.255 -12.721 583 HE2 MET 62 1HE MET 62 6.669 -22.882 -13.156 584 HE3 MET 62 2HE MET 62 5.056 -23.045 -13.853 585 H LYS 63 H LYS 63 4.362 -17.985 -12.951 586 HA LYS 63 HA LYS 63 3.023 -16.680 -11.743 587 HB2 LYS 63 2HB LYS 63 4.079 -17.650 -9.730 588 HB3 LYS 63 1HB LYS 63 5.339 -16.425 -9.786 589 HG2 LYS 63 2HG LYS 63 3.684 -14.663 -9.310 590 HG3 LYS 63 1HG LYS 63 2.385 -15.861 -9.334 591 HD2 LYS 63 2HD LYS 63 3.012 -15.320 -7.013 592 HD3 LYS 63 1HD LYS 63 3.386 -17.006 -7.378 593 HE2 LYS 63 2HE LYS 63 5.773 -16.332 -7.765 594 HE3 LYS 63 1HE LYS 63 5.354 -14.695 -7.258 595 HZ1 LYS 63 3HZ LYS 63 6.302 -15.969 -5.445 596 HZ2 LYS 63 1HZ LYS 63 5.089 -17.138 -5.588 597 HZ3 LYS 63 2HZ LYS 63 4.698 -15.568 -5.106 598 HA PRO 64 HA PRO 64 4.820 -12.930 -13.828 599 HB2 PRO 64 2HB PRO 64 2.567 -12.288 -15.250 600 HB3 PRO 64 1HB PRO 64 3.689 -13.555 -15.785 601 HG2 PRO 64 2HG PRO 64 1.078 -13.862 -14.333 602 HG3 PRO 64 1HG PRO 64 1.700 -14.767 -15.730 603 HD2 PRO 64 2HD PRO 64 1.843 -15.730 -13.186 604 HD3 PRO 64 1HD PRO 64 3.056 -16.122 -14.425 605 HA PRO 65 HA PRO 65 2.886 -9.875 -11.022 606 HB2 PRO 65 2HB PRO 65 3.356 -7.770 -13.103 607 HB3 PRO 65 1HB PRO 65 4.046 -7.912 -11.471 608 HG2 PRO 65 2HG PRO 65 5.559 -8.336 -13.640 609 HG3 PRO 65 1HG PRO 65 5.778 -9.319 -12.171 610 HD2 PRO 65 2HD PRO 65 4.251 -10.014 -14.695 611 HD3 PRO 65 1HD PRO 65 5.435 -10.995 -13.793 612 H GLY 66 H GLY 66 1.314 -7.750 -11.437 613 HA2 GLY 66 2HA GLY 66 -1.244 -8.720 -11.866 614 HA3 GLY 66 1HA GLY 66 -0.810 -7.021 -11.883 615 H ALA 67 H ALA 67 -2.138 -9.481 -13.673 616 HA ALA 67 HA ALA 67 -1.109 -9.175 -16.275 617 HB1 ALA 67 3HB ALA 67 -3.092 -10.470 -16.985 618 HB2 ALA 67 1HB ALA 67 -3.839 -10.202 -15.411 619 HB3 ALA 67 2HB ALA 67 -2.367 -11.166 -15.536 620 H GLN 68 H GLN 68 -2.008 -8.146 -18.146 621 HA GLN 68 HA GLN 68 -3.229 -5.555 -17.533 622 HB2 GLN 68 2HB GLN 68 -1.178 -5.676 -18.936 623 HB3 GLN 68 1HB GLN 68 -2.064 -6.582 -20.161 624 HG2 GLN 68 2HG GLN 68 -3.571 -4.644 -20.494 625 HG3 GLN 68 1HG GLN 68 -2.689 -3.752 -19.254 626 HE21 GLN 68 1HE2 GLN 68 -2.169 -2.109 -20.716 627 HE22 GLN 68 2HE2 GLN 68 -1.005 -2.311 -21.975 628 H GLY 69 H GLY 69 -5.224 -4.923 -18.177 629 HA2 GLY 69 2HA GLY 69 -6.859 -5.789 -20.206 630 HA3 GLY 69 1HA GLY 69 -7.166 -6.904 -18.875 631 H SER 70 H SER 70 -9.209 -6.283 -18.293 632 HA SER 70 HA SER 70 -9.910 -3.460 -17.964 633 HB2 SER 70 2HB SER 70 -11.619 -5.950 -17.647 634 HB3 SER 70 1HB SER 70 -12.199 -4.282 -17.702 635 HG SER 70 HG SER 70 -10.745 -5.559 -19.770 636 H GLN 71 H GLN 71 -8.423 -5.651 -16.018 637 HA GLN 71 HA GLN 71 -9.668 -4.997 -13.471 638 HB2 GLN 71 2HB GLN 71 -6.928 -6.271 -13.967 639 HB3 GLN 71 1HB GLN 71 -7.860 -6.311 -12.473 640 HG2 GLN 71 2HG GLN 71 -9.516 -7.762 -13.514 641 HG3 GLN 71 1HG GLN 71 -8.670 -7.663 -15.056 642 HE21 GLN 71 1HE2 GLN 71 -8.484 -8.906 -11.791 643 HE22 GLN 71 2HE2 GLN 71 -7.277 -10.096 -12.107 644 H SER 72 H SER 72 -7.918 -3.176 -15.574 645 HA SER 72 HA SER 72 -5.557 -2.399 -14.806 646 HB2 SER 72 2HB SER 72 -5.976 -0.196 -15.858 647 HB3 SER 72 1HB SER 72 -6.677 -1.532 -16.779 648 HG SER 72 HG SER 72 -8.690 -0.979 -16.045 649 H THR 73 H THR 73 -8.375 -0.565 -13.401 650 HA THR 73 HA THR 73 -7.085 1.090 -11.678 651 HB THR 73 HB THR 73 -9.648 -0.449 -11.081 652 HG1 THR 73 HG1 THR 73 -9.261 2.008 -12.484 653 HG21 THR 73 3HG2 THR 73 -10.307 1.531 -9.772 654 HG22 THR 73 1HG2 THR 73 -8.760 2.297 -10.118 655 HG23 THR 73 2HG2 THR 73 -8.817 0.842 -9.120 656 H TYR 74 H TYR 74 -7.968 -2.275 -11.021 657 HA TYR 74 HA TYR 74 -6.872 -2.338 -8.350 658 HB2 TYR 74 2HB TYR 74 -8.944 -3.606 -9.222 659 HB3 TYR 74 1HB TYR 74 -7.826 -4.708 -10.018 660 HD1 TYR 74 HD1 TYR 74 -8.398 -3.172 -6.650 661 HD2 TYR 74 HD2 TYR 74 -7.286 -6.682 -8.799 662 HE1 TYR 74 HE1 TYR 74 -8.266 -4.414 -4.560 663 HE2 TYR 74 HE2 TYR 74 -7.155 -7.936 -6.681 664 HH TYR 74 HH TYR 74 -8.412 -6.713 -3.765 665 H THR 75 H THR 75 -5.742 -3.065 -11.558 666 HA THR 75 HA THR 75 -3.525 -4.754 -10.869 667 HB THR 75 HB THR 75 -3.988 -3.070 -13.382 668 HG1 THR 75 HG1 THR 75 -5.042 -5.470 -12.484 669 HG21 THR 75 3HG2 THR 75 -1.644 -3.839 -13.194 670 HG22 THR 75 1HG2 THR 75 -2.491 -4.672 -14.501 671 HG23 THR 75 2HG2 THR 75 -2.203 -5.498 -12.968 672 H ASP 76 H ASP 76 -3.958 -1.312 -11.600 673 HA ASP 76 HA ASP 76 -1.428 -0.290 -11.162 674 HB2 ASP 76 2HB ASP 76 -4.191 0.917 -10.697 675 HB3 ASP 76 1HB ASP 76 -2.748 1.813 -10.226 676 H LEU 77 H LEU 77 -4.015 -1.116 -8.872 677 HA LEU 77 HA LEU 77 -2.863 -0.165 -6.527 678 HB2 LEU 77 2HB LEU 77 -5.194 -0.920 -6.713 679 HB3 LEU 77 1HB LEU 77 -4.659 -2.582 -6.915 680 HG LEU 77 HG LEU 77 -3.768 -2.584 -4.586 681 HD11 LEU 77 1HD1 LEU 77 -4.908 0.218 -4.378 682 HD12 LEU 77 2HD1 LEU 77 -3.198 -0.225 -4.342 683 HD13 LEU 77 3HD1 LEU 77 -4.267 -0.748 -3.044 684 HD21 LEU 77 3HD2 LEU 77 -5.924 -2.573 -3.428 685 HD22 LEU 77 1HD2 LEU 77 -6.040 -3.355 -5.005 686 HD23 LEU 77 2HD2 LEU 77 -6.663 -1.717 -4.784 687 H LEU 78 H LEU 78 -2.539 -3.474 -7.982 688 HA LEU 78 HA LEU 78 -0.764 -4.528 -6.049 689 HB2 LEU 78 2HB LEU 78 -1.964 -5.876 -7.853 690 HB3 LEU 78 1HB LEU 78 -0.798 -5.263 -9.011 691 HG LEU 78 HG LEU 78 1.045 -6.341 -7.624 692 HD11 LEU 78 1HD1 LEU 78 0.455 -8.071 -6.000 693 HD12 LEU 78 2HD1 LEU 78 -1.252 -7.642 -6.142 694 HD13 LEU 78 3HD1 LEU 78 -0.097 -6.479 -5.486 695 HD21 LEU 78 3HD2 LEU 78 -1.032 -8.257 -8.715 696 HD22 LEU 78 1HD2 LEU 78 0.670 -8.618 -8.423 697 HD23 LEU 78 2HD2 LEU 78 0.219 -7.435 -9.650 698 H SER 79 H SER 79 -0.206 -2.703 -9.027 699 HA SER 79 HA SER 79 2.592 -2.825 -9.195 700 HB2 SER 79 2HB SER 79 0.754 -0.561 -10.092 701 HB3 SER 79 1HB SER 79 2.391 -0.872 -10.675 702 HG SER 79 HG SER 79 0.015 -2.122 -11.315 703 H VAL 80 H VAL 80 0.414 -0.612 -7.515 704 HA VAL 80 HA VAL 80 2.364 1.333 -6.758 705 HB VAL 80 HB VAL 80 -0.524 0.862 -5.879 706 HG11 VAL 80 1HG1 VAL 80 1.255 3.190 -5.060 707 HG12 VAL 80 2HG1 VAL 80 0.626 1.936 -3.987 708 HG13 VAL 80 3HG1 VAL 80 -0.480 3.065 -4.767 709 HG21 VAL 80 3HG2 VAL 80 -0.173 1.672 -8.198 710 HG22 VAL 80 1HG2 VAL 80 0.708 3.065 -7.572 711 HG23 VAL 80 2HG2 VAL 80 -1.006 2.864 -7.203 712 H ILE 81 H ILE 81 0.742 -1.366 -5.032 713 HA ILE 81 HA ILE 81 1.934 -1.033 -2.520 714 HB ILE 81 HB ILE 81 1.227 -3.713 -3.822 715 HG12 ILE 81 2HG1 ILE 81 -0.761 -2.304 -3.851 716 HG13 ILE 81 1HG1 ILE 81 -0.968 -3.516 -2.603 717 HG21 ILE 81 1HG2 ILE 81 1.550 -2.973 -0.890 718 HG22 ILE 81 2HG2 ILE 81 2.618 -4.010 -1.839 719 HG23 ILE 81 3HG2 ILE 81 0.968 -4.526 -1.492 720 HD11 ILE 81 3HD1 ILE 81 -1.820 -1.398 -1.876 721 HD12 ILE 81 1HD1 ILE 81 -0.282 -0.606 -2.204 722 HD13 ILE 81 2HD1 ILE 81 -0.402 -1.803 -0.911 723 H GLU 82 H GLU 82 3.049 -2.709 -5.421 724 HA GLU 82 HA GLU 82 5.440 -3.774 -4.306 725 HB2 GLU 82 2HB GLU 82 4.234 -4.681 -6.325 726 HB3 GLU 82 1HB GLU 82 4.721 -3.252 -7.225 727 HG2 GLU 82 2HG GLU 82 6.191 -4.997 -7.876 728 HG3 GLU 82 1HG GLU 82 7.122 -3.925 -6.842 729 H GLU 83 H GLU 83 4.693 -0.772 -6.105 730 HA GLU 83 HA GLU 83 7.338 0.163 -6.547 731 HB2 GLU 83 2HB GLU 83 4.709 1.700 -6.275 732 HB3 GLU 83 1HB GLU 83 6.231 2.470 -6.694 733 HG2 GLU 83 2HG GLU 83 4.828 0.358 -8.345 734 HG3 GLU 83 1HG GLU 83 4.769 2.089 -8.641 735 H MET 84 H MET 84 4.939 0.861 -4.021 736 HA MET 84 HA MET 84 6.491 2.493 -2.366 737 HB2 MET 84 2HB MET 84 4.074 0.737 -1.764 738 HB3 MET 84 1HB MET 84 4.772 1.856 -0.595 739 HG2 MET 84 2HG MET 84 4.339 3.726 -2.191 740 HG3 MET 84 1HG MET 84 3.529 2.576 -3.256 741 HE1 MET 84 3HE MET 84 0.496 1.474 -0.931 742 HE2 MET 84 1HE MET 84 2.070 0.687 -0.966 743 HE3 MET 84 2HE MET 84 1.299 1.187 -2.475 744 H GLY 85 H GLY 85 6.209 -0.985 -2.627 745 HA2 GLY 85 2HA GLY 85 7.428 -1.818 -0.269 746 HA3 GLY 85 1HA GLY 85 7.408 -2.714 -1.770 747 H LYS 86 H LYS 86 8.884 -0.538 -3.200 748 HA LYS 86 HA LYS 86 11.573 -1.125 -2.162 749 HB2 LYS 86 2HB LYS 86 12.476 -0.576 -4.357 750 HB3 LYS 86 1HB LYS 86 11.269 -1.842 -4.448 751 HG2 LYS 86 2HG LYS 86 10.774 -0.605 -6.329 752 HG3 LYS 86 1HG LYS 86 9.650 0.087 -5.162 753 HD2 LYS 86 2HD LYS 86 11.053 2.044 -4.866 754 HD3 LYS 86 1HD LYS 86 12.358 1.309 -5.803 755 HE2 LYS 86 2HE LYS 86 11.103 3.018 -7.093 756 HE3 LYS 86 1HE LYS 86 11.017 1.420 -7.837 757 HZ1 LYS 86 3HZ LYS 86 8.878 2.618 -7.772 758 HZ2 LYS 86 1HZ LYS 86 8.904 2.556 -6.080 759 HZ3 LYS 86 2HZ LYS 86 8.827 1.126 -6.987 760 H GLU 87 H GLU 87 9.306 1.434 -2.193 761 HA GLU 87 HA GLU 87 11.170 3.634 -2.044 762 HB2 GLU 87 2HB GLU 87 8.307 3.525 -0.980 763 HB3 GLU 87 1HB GLU 87 9.275 4.975 -1.210 764 HG2 GLU 87 2HG GLU 87 8.162 3.171 -3.343 765 HG3 GLU 87 1HG GLU 87 7.629 4.798 -2.945 766 H ILE 88 H ILE 88 10.057 1.232 0.158 767 HA ILE 88 HA ILE 88 9.943 2.552 2.619 768 HB ILE 88 HB ILE 88 10.704 -0.344 2.013 769 HG12 ILE 88 2HG1 ILE 88 7.992 0.852 2.743 770 HG13 ILE 88 1HG1 ILE 88 8.491 0.390 1.125 771 HG21 ILE 88 1HG2 ILE 88 11.404 0.188 4.290 772 HG22 ILE 88 2HG2 ILE 88 9.990 -0.863 4.338 773 HG23 ILE 88 3HG2 ILE 88 9.815 0.863 4.656 774 HD11 ILE 88 3HD1 ILE 88 7.047 -1.272 2.093 775 HD12 ILE 88 1HD1 ILE 88 8.150 -1.481 3.453 776 HD13 ILE 88 2HD1 ILE 88 8.657 -1.932 1.824 777 H ARG 89 H ARG 89 12.679 0.944 1.037 778 HA ARG 89 HA ARG 89 14.525 1.193 3.180 779 HB2 ARG 89 2HB ARG 89 14.799 -0.531 1.478 780 HB3 ARG 89 1HB ARG 89 15.007 0.682 0.222 781 HG2 ARG 89 2HG ARG 89 17.127 1.413 1.332 782 HG3 ARG 89 1HG ARG 89 16.925 0.105 2.503 783 HD2 ARG 89 2HD ARG 89 16.975 -1.538 0.626 784 HD3 ARG 89 1HD ARG 89 17.269 -0.208 -0.501 785 HE ARG 89 HE ARG 89 19.288 0.088 1.259 786 HH11 ARG 89 1HH1 ARG 89 18.145 -2.738 -0.495 787 HH12 ARG 89 2HH1 ARG 89 19.712 -3.478 -0.566 788 HH21 ARG 89 1HH2 ARG 89 21.352 -0.900 1.152 789 HH22 ARG 89 2HH2 ARG 89 21.522 -2.439 0.365 790 HA PRO 90 HA PRO 90 16.468 5.066 0.936 791 HB2 PRO 90 2HB PRO 90 14.895 6.404 -0.941 792 HB3 PRO 90 1HB PRO 90 16.159 5.224 -1.338 793 HG2 PRO 90 2HG PRO 90 13.198 4.824 -1.185 794 HG3 PRO 90 1HG PRO 90 14.365 4.179 -2.361 795 HD2 PRO 90 2HD PRO 90 13.396 2.678 -0.340 796 HD3 PRO 90 1HD PRO 90 15.051 2.476 -0.950 797 H THR 91 H THR 91 12.880 5.171 1.316 798 HA THR 91 HA THR 91 12.589 7.680 2.540 799 HB THR 91 HB THR 91 11.068 5.077 3.030 800 HG1 THR 91 HG1 THR 91 10.156 5.624 1.220 801 HG21 THR 91 3HG2 THR 91 10.273 7.887 3.899 802 HG22 THR 91 1HG2 THR 91 10.669 6.543 4.977 803 HG23 THR 91 2HG2 THR 91 9.229 6.467 3.964 804 H TYR 92 H TYR 92 13.247 4.520 3.981 805 HA TYR 92 HA TYR 92 13.602 5.240 6.662 806 HB2 TYR 92 2HB TYR 92 13.230 2.922 5.923 807 HB3 TYR 92 1HB TYR 92 14.759 2.917 5.052 808 HD1 TYR 92 HD2 TYR 92 13.583 3.722 8.529 809 HD2 TYR 92 HD1 TYR 92 16.445 1.677 6.115 810 HE1 TYR 92 HE2 TYR 92 14.703 2.925 10.534 811 HE2 TYR 92 HE1 TYR 92 17.577 0.871 8.142 812 HH TYR 92 HH TYR 92 17.791 1.392 10.436 813 H ALA 93 H ALA 93 15.752 5.527 3.924 814 HA ALA 93 HA ALA 93 18.133 6.103 5.524 815 HB1 ALA 93 3HB ALA 93 18.337 4.819 3.437 816 HB2 ALA 93 1HB ALA 93 19.258 6.322 3.347 817 HB3 ALA 93 2HB ALA 93 17.705 6.184 2.515 818 H GLY 94 H GLY 94 15.442 7.869 4.940 819 HA2 GLY 94 2HA GLY 94 15.097 10.081 5.552 820 HA3 GLY 94 1HA GLY 94 16.811 10.402 5.392 821 H SER 95 H SER 95 15.637 8.904 2.583 822 HA SER 95 HA SER 95 15.801 11.243 0.976 823 HB2 SER 95 2HB SER 95 16.302 9.033 0.030 824 HB3 SER 95 1HB SER 95 14.648 8.501 0.331 825 HG SER 95 HG SER 95 15.487 9.535 -1.862 826 H LYS 96 H LYS 96 14.343 12.800 1.554 827 HA LYS 96 HA LYS 96 11.604 12.652 1.932 828 HB2 LYS 96 2HB LYS 96 11.472 15.004 1.392 829 HB3 LYS 96 1HB LYS 96 12.965 14.723 2.267 830 HG2 LYS 96 2HG LYS 96 12.780 15.074 -0.746 831 HG3 LYS 96 1HG LYS 96 13.166 16.365 0.390 832 HD2 LYS 96 2HD LYS 96 15.204 15.114 1.086 833 HD3 LYS 96 1HD LYS 96 14.812 13.851 -0.081 834 HE2 LYS 96 2HE LYS 96 15.055 15.470 -1.925 835 HE3 LYS 96 1HE LYS 96 15.424 16.748 -0.764 836 HZ1 LYS 96 3HZ LYS 96 17.035 14.293 -1.210 837 HZ2 LYS 96 1HZ LYS 96 17.378 15.488 -0.072 838 HZ3 LYS 96 2HZ LYS 96 17.436 15.851 -1.721 839 H SER 97 H SER 97 13.399 12.369 -1.036 840 HA SER 97 HA SER 97 11.348 12.893 -2.912 841 HB2 SER 97 2HB SER 97 13.829 11.149 -3.210 842 HB3 SER 97 1HB SER 97 12.877 11.836 -4.528 843 HG SER 97 HG SER 97 13.425 13.927 -3.262 844 H ALA 98 H ALA 98 12.710 9.813 -1.694 845 HA ALA 98 HA ALA 98 10.855 8.077 -2.941 846 HB1 ALA 98 3HB ALA 98 11.824 6.351 -1.503 847 HB2 ALA 98 1HB ALA 98 12.624 7.594 -0.524 848 HB3 ALA 98 2HB ALA 98 13.079 7.366 -2.212 849 H MET 99 H MET 99 10.946 9.637 0.235 850 HA MET 99 HA MET 99 8.769 8.349 1.458 851 HB2 MET 99 2HB MET 99 10.356 9.616 2.761 852 HB3 MET 99 1HB MET 99 10.008 11.097 1.884 853 HG2 MET 99 2HG MET 99 7.829 9.748 3.477 854 HG3 MET 99 1HG MET 99 9.028 10.751 4.287 855 HE1 MET 99 3HE MET 99 9.554 13.074 2.073 856 HE2 MET 99 1HE MET 99 9.366 13.336 3.809 857 HE3 MET 99 2HE MET 99 8.398 14.267 2.667 858 H GLU 100 H GLU 100 8.962 11.185 -0.635 859 HA GLU 100 HA GLU 100 6.247 11.985 -0.534 860 HB2 GLU 100 2HB GLU 100 8.059 13.436 -1.388 861 HB3 GLU 100 1HB GLU 100 8.318 12.349 -2.750 862 HG2 GLU 100 2HG GLU 100 6.026 12.841 -3.562 863 HG3 GLU 100 1HG GLU 100 5.790 13.953 -2.214 864 H ARG 101 H ARG 101 8.040 9.756 -2.611 865 HA ARG 101 HA ARG 101 5.940 9.054 -4.414 866 HB2 ARG 101 2HB ARG 101 8.573 7.727 -3.646 867 HB3 ARG 101 1HB ARG 101 7.532 7.106 -4.923 868 HG2 ARG 101 2HG ARG 101 7.931 8.949 -6.336 869 HG3 ARG 101 1HG ARG 101 8.500 9.970 -5.014 870 HD2 ARG 101 2HD ARG 101 10.313 9.230 -6.551 871 HD3 ARG 101 1HD ARG 101 10.583 8.737 -4.879 872 HE ARG 101 HE ARG 101 9.485 6.537 -5.798 873 HH11 ARG 101 1HH1 ARG 101 11.953 8.500 -7.382 874 HH12 ARG 101 2HH1 ARG 101 12.642 7.145 -8.222 875 HH21 ARG 101 1HH2 ARG 101 10.421 4.808 -6.841 876 HH22 ARG 101 2HH2 ARG 101 11.772 5.049 -7.914 877 H LEU 102 H LEU 102 7.027 7.837 -1.322 878 HA LEU 102 HA LEU 102 5.572 5.384 -1.251 879 HB2 LEU 102 2HB LEU 102 7.641 5.866 0.054 880 HB3 LEU 102 1HB LEU 102 6.778 7.077 0.982 881 HG LEU 102 HG LEU 102 5.369 5.308 2.005 882 HD11 LEU 102 1HD1 LEU 102 7.038 3.342 0.419 883 HD12 LEU 102 2HD1 LEU 102 5.316 3.674 0.201 884 HD13 LEU 102 3HD1 LEU 102 5.886 2.935 1.694 885 HD21 LEU 102 3HD2 LEU 102 7.083 4.289 3.397 886 HD22 LEU 102 1HD2 LEU 102 7.470 5.979 3.092 887 HD23 LEU 102 2HD2 LEU 102 8.333 4.706 2.223 888 H LYS 103 H LYS 103 5.071 8.567 0.355 889 HA LYS 103 HA LYS 103 2.546 8.115 1.476 890 HB2 LYS 103 2HB LYS 103 3.870 10.708 0.558 891 HB3 LYS 103 1HB LYS 103 2.327 10.672 1.410 892 HG2 LYS 103 2HG LYS 103 3.437 9.564 3.343 893 HG3 LYS 103 1HG LYS 103 4.976 9.649 2.489 894 HD2 LYS 103 2HD LYS 103 4.745 11.442 4.180 895 HD3 LYS 103 1HD LYS 103 4.930 12.084 2.549 896 HE2 LYS 103 2HE LYS 103 3.232 13.309 3.891 897 HE3 LYS 103 1HE LYS 103 2.545 12.590 2.434 898 HZ1 LYS 103 3HZ LYS 103 1.106 12.256 4.340 899 HZ2 LYS 103 1HZ LYS 103 2.347 11.483 5.186 900 HZ3 LYS 103 2HZ LYS 103 1.697 10.767 3.805 901 H ARG 104 H ARG 104 3.429 9.539 -1.668 902 HA ARG 104 HA ARG 104 0.901 10.112 -2.707 903 HB2 ARG 104 2HB ARG 104 2.981 10.869 -3.765 904 HB3 ARG 104 1HB ARG 104 3.454 9.210 -4.115 905 HG2 ARG 104 2HG ARG 104 1.526 9.020 -5.679 906 HG3 ARG 104 1HG ARG 104 1.117 10.707 -5.346 907 HD2 ARG 104 2HD ARG 104 3.346 11.389 -6.210 908 HD3 ARG 104 1HD ARG 104 3.705 9.699 -6.581 909 HE ARG 104 HE ARG 104 1.380 10.192 -7.914 910 HH11 ARG 104 1HH1 ARG 104 4.536 11.745 -7.907 911 HH12 ARG 104 2HH1 ARG 104 4.417 12.272 -9.556 912 HH21 ARG 104 1HH2 ARG 104 1.240 10.881 -10.082 913 HH22 ARG 104 2HH2 ARG 104 2.546 11.780 -10.786 914 H GLY 105 H GLY 105 2.732 7.109 -2.593 915 HA2 GLY 105 2HA GLY 105 1.123 5.469 -4.194 916 HA3 GLY 105 1HA GLY 105 2.147 4.935 -2.873 917 H ILE 106 H ILE 106 0.912 6.259 -0.720 918 HA ILE 106 HA ILE 106 -1.330 4.596 -0.208 919 HB ILE 106 HB ILE 106 -0.002 6.846 1.308 920 HG12 ILE 106 2HG1 ILE 106 0.264 5.117 3.053 921 HG13 ILE 106 1HG1 ILE 106 -0.683 3.980 2.108 922 HG21 ILE 106 1HG2 ILE 106 -1.636 6.677 3.177 923 HG22 ILE 106 2HG2 ILE 106 -2.684 5.682 2.160 924 HG23 ILE 106 3HG2 ILE 106 -2.365 7.358 1.717 925 HD11 ILE 106 3HD1 ILE 106 1.077 3.937 0.428 926 HD12 ILE 106 1HD1 ILE 106 1.682 3.496 2.023 927 HD13 ILE 106 2HD1 ILE 106 2.009 5.102 1.371 928 H ILE 107 H ILE 107 -1.076 8.042 -1.196 929 HA ILE 107 HA ILE 107 -3.819 8.702 -1.035 930 HB ILE 107 HB ILE 107 -1.539 9.790 -2.721 931 HG12 ILE 107 2HG1 ILE 107 -2.115 11.941 -1.489 932 HG13 ILE 107 1HG1 ILE 107 -3.323 11.045 -0.580 933 HG21 ILE 107 1HG2 ILE 107 -3.414 9.930 -4.274 934 HG22 ILE 107 2HG2 ILE 107 -3.032 11.547 -3.684 935 HG23 ILE 107 3HG2 ILE 107 -4.429 10.679 -3.041 936 HD11 ILE 107 3HD1 ILE 107 -1.542 9.665 0.384 937 HD12 ILE 107 1HD1 ILE 107 -1.301 11.384 0.704 938 HD13 ILE 107 2HD1 ILE 107 -0.349 10.577 -0.545 939 H HIS 108 H HIS 108 -1.919 7.271 -3.640 940 HA HIS 108 HA HIS 108 -4.019 7.110 -5.556 941 HB2 HIS 108 2HB HIS 108 -1.551 7.137 -6.112 942 HB3 HIS 108 1HB HIS 108 -1.439 5.484 -5.517 943 HD1 HIS 108 HD1 HIS 108 -0.645 4.817 -7.929 944 HD2 HIS 108 HD2 HIS 108 -4.525 6.263 -7.758 945 HE1 HIS 108 HE1 HIS 108 -1.709 4.147 -10.099 946 HE2 HIS 108 HE2 HIS 108 -4.061 5.005 -9.949 947 H ALA 109 H ALA 109 -2.642 4.766 -3.244 948 HA ALA 109 HA ALA 109 -4.114 2.501 -4.195 949 HB1 ALA 109 3HB ALA 109 -2.653 2.914 -1.563 950 HB2 ALA 109 1HB ALA 109 -1.959 2.261 -3.048 951 HB3 ALA 109 2HB ALA 109 -3.220 1.367 -2.197 952 H ARG 110 H ARG 110 -4.541 4.774 -1.512 953 HA ARG 110 HA ARG 110 -6.839 3.707 -0.290 954 HB2 ARG 110 2HB ARG 110 -5.517 6.407 -0.366 955 HB3 ARG 110 1HB ARG 110 -7.197 6.416 0.105 956 HG2 ARG 110 2HG ARG 110 -5.014 4.855 1.508 957 HG3 ARG 110 1HG ARG 110 -5.678 6.405 2.024 958 HD2 ARG 110 2HD ARG 110 -7.972 5.215 2.047 959 HD3 ARG 110 1HD ARG 110 -7.049 3.713 1.968 960 HE ARG 110 HE ARG 110 -5.934 5.015 4.061 961 HH11 ARG 110 1HH1 ARG 110 -9.276 4.116 3.317 962 HH12 ARG 110 2HH1 ARG 110 -9.734 3.996 4.988 963 HH21 ARG 110 1HH2 ARG 110 -6.601 4.970 6.228 964 HH22 ARG 110 2HH2 ARG 110 -8.216 4.481 6.629 965 H ALA 111 H ALA 111 -6.421 5.866 -3.067 966 HA ALA 111 HA ALA 111 -9.137 6.469 -3.579 967 HB1 ALA 111 3HB ALA 111 -8.336 7.218 -5.781 968 HB2 ALA 111 1HB ALA 111 -6.775 6.432 -5.493 969 HB3 ALA 111 2HB ALA 111 -7.280 7.795 -4.494 970 H LEU 112 H LEU 112 -6.944 3.984 -4.866 971 HA LEU 112 HA LEU 112 -8.622 3.021 -6.935 972 HB2 LEU 112 2HB LEU 112 -6.250 1.702 -5.555 973 HB3 LEU 112 1HB LEU 112 -7.007 1.074 -7.014 974 HG LEU 112 HG LEU 112 -5.636 3.785 -6.804 975 HD11 LEU 112 1HD1 LEU 112 -4.005 2.001 -6.607 976 HD12 LEU 112 2HD1 LEU 112 -3.845 2.815 -8.160 977 HD13 LEU 112 3HD1 LEU 112 -4.625 1.230 -8.071 978 HD21 LEU 112 3HD2 LEU 112 -6.725 2.370 -9.251 979 HD22 LEU 112 1HD2 LEU 112 -5.818 3.885 -9.242 980 HD23 LEU 112 2HD2 LEU 112 -7.407 3.808 -8.485 981 H VAL 113 H VAL 113 -8.050 1.799 -3.619 982 HA VAL 113 HA VAL 113 -9.735 -0.498 -3.870 983 HB VAL 113 HB VAL 113 -8.967 0.942 -1.285 984 HG11 VAL 113 1HG1 VAL 113 -10.841 -0.606 -0.971 985 HG12 VAL 113 2HG1 VAL 113 -9.393 -1.241 -0.191 986 HG13 VAL 113 3HG1 VAL 113 -9.925 -1.908 -1.734 987 HG21 VAL 113 3HG2 VAL 113 -6.943 0.309 -2.541 988 HG22 VAL 113 1HG2 VAL 113 -7.513 -1.358 -2.629 989 HG23 VAL 113 2HG2 VAL 113 -7.107 -0.646 -1.065 990 H ARG 114 H ARG 114 -10.233 2.814 -2.599 991 HA ARG 114 HA ARG 114 -12.745 2.341 -1.386 992 HB2 ARG 114 2HB ARG 114 -11.042 4.295 -1.012 993 HB3 ARG 114 1HB ARG 114 -11.875 5.096 -2.329 994 HG2 ARG 114 2HG ARG 114 -13.269 4.151 0.202 995 HG3 ARG 114 1HG ARG 114 -12.577 5.759 0.027 996 HD2 ARG 114 2HD ARG 114 -14.129 6.173 -1.886 997 HD3 ARG 114 1HD ARG 114 -14.860 4.591 -1.608 998 HE ARG 114 HE ARG 114 -15.110 5.759 0.799 999 HH11 ARG 114 1HH1 ARG 114 -15.978 6.918 -2.420 1000 HH12 ARG 114 2HH1 ARG 114 -17.288 7.896 -1.836 1001 HH21 ARG 114 1HH2 ARG 114 -16.811 7.058 1.534 1002 HH22 ARG 114 2HH2 ARG 114 -17.760 7.973 0.407 1003 H GLU 115 H GLU 115 -11.911 3.770 -4.549 1004 HA GLU 115 HA GLU 115 -14.549 4.333 -5.391 1005 HB2 GLU 115 2HB GLU 115 -13.629 4.597 -7.652 1006 HB3 GLU 115 1HB GLU 115 -12.572 5.348 -6.463 1007 HG2 GLU 115 2HG GLU 115 -11.107 3.289 -6.578 1008 HG3 GLU 115 1HG GLU 115 -12.113 2.723 -7.912 1009 H CYS 116 H CYS 116 -12.623 1.379 -5.565 1010 HA CYS 116 HA CYS 116 -14.450 0.040 -7.386 1011 HB2 CYS 116 2HB CYS 116 -12.008 -0.981 -5.898 1012 HB3 CYS 116 1HB CYS 116 -12.934 -1.921 -7.068 1013 HG CYS 116 HG CYS 116 -11.107 0.899 -7.701 1014 H LEU 117 H LEU 117 -14.117 0.322 -3.889 1015 HA LEU 117 HA LEU 117 -15.363 -1.924 -2.861 1016 HB2 LEU 117 2HB LEU 117 -15.573 0.985 -2.016 1017 HB3 LEU 117 1HB LEU 117 -16.421 -0.262 -1.120 1018 HG LEU 117 HG LEU 117 -13.393 -0.212 -1.487 1019 HD11 LEU 117 1HD1 LEU 117 -15.039 0.701 0.903 1020 HD12 LEU 117 2HD1 LEU 117 -14.130 1.744 -0.197 1021 HD13 LEU 117 3HD1 LEU 117 -13.277 0.595 0.829 1022 HD21 LEU 117 3HD2 LEU 117 -15.138 -1.854 0.387 1023 HD22 LEU 117 1HD2 LEU 117 -13.374 -1.876 0.316 1024 HD23 LEU 117 2HD2 LEU 117 -14.316 -2.456 -1.054 1025 H ALA 118 H ALA 118 -16.831 0.837 -4.455 1026 HA ALA 118 HA ALA 118 -19.526 0.429 -3.883 1027 HB1 ALA 118 3HB ALA 118 -18.302 1.708 -6.345 1028 HB2 ALA 118 1HB ALA 118 -18.637 2.518 -4.818 1029 HB3 ALA 118 2HB ALA 118 -19.972 1.910 -5.804 1030 H GLU 119 H GLU 119 -17.715 -0.624 -6.859 1031 HA GLU 119 HA GLU 119 -20.034 -2.084 -7.811 1032 HB2 GLU 119 2HB GLU 119 -18.773 -2.439 -9.827 1033 HB3 GLU 119 1HB GLU 119 -18.597 -0.757 -9.342 1034 HG2 GLU 119 2HG GLU 119 -16.351 -1.166 -8.515 1035 HG3 GLU 119 1HG GLU 119 -16.517 -2.900 -8.805 1036 H THR 120 H THR 120 -17.093 -2.861 -6.093 1037 HA THR 120 HA THR 120 -17.021 -5.667 -6.637 1038 HB THR 120 HB THR 120 -15.911 -4.128 -4.235 1039 HG1 THR 120 HG1 THR 120 -15.090 -3.648 -6.419 1040 HG21 THR 120 3HG2 THR 120 -16.082 -6.556 -3.709 1041 HG22 THR 120 1HG2 THR 120 -14.397 -6.060 -3.892 1042 HG23 THR 120 2HG2 THR 120 -15.207 -6.938 -5.194 1043 H GLU 121 H GLU 121 -18.703 -3.591 -4.374 1044 HA GLU 121 HA GLU 121 -20.026 -5.458 -2.757 1045 HB2 GLU 121 2HB GLU 121 -19.950 -3.028 -2.300 1046 HB3 GLU 121 1HB GLU 121 -20.923 -2.714 -3.729 1047 HG2 GLU 121 2HG GLU 121 -22.293 -2.514 -1.734 1048 HG3 GLU 121 1HG GLU 121 -22.829 -3.899 -2.685 1049 H ARG 122 H ARG 122 -20.597 -4.464 -6.097 1050 HA ARG 122 HA ARG 122 -23.206 -5.773 -6.248 1051 HB2 ARG 122 2HB ARG 122 -21.544 -4.267 -8.320 1052 HB3 ARG 122 1HB ARG 122 -23.135 -4.958 -8.634 1053 HG2 ARG 122 2HG ARG 122 -22.517 -2.755 -6.645 1054 HG3 ARG 122 1HG ARG 122 -23.274 -2.551 -8.227 1055 HD2 ARG 122 2HD ARG 122 -24.421 -4.078 -5.866 1056 HD3 ARG 122 1HD ARG 122 -24.966 -2.508 -6.463 1057 HE ARG 122 HE ARG 122 -25.277 -4.009 -8.645 1058 HH11 ARG 122 1HH1 ARG 122 -26.300 -4.658 -5.335 1059 HH12 ARG 122 2HH1 ARG 122 -27.656 -5.623 -5.825 1060 HH21 ARG 122 1HH2 ARG 122 -27.034 -5.293 -9.263 1061 HH22 ARG 122 2HH2 ARG 122 -28.070 -5.980 -8.053 1062 H ASN 123 H ASN 123 -19.851 -6.344 -6.990 1063 HA ASN 123 HA ASN 123 -20.204 -8.423 -8.945 1064 HB2 ASN 123 2HB ASN 123 -18.132 -7.099 -8.941 1065 HB3 ASN 123 1HB ASN 123 -17.753 -7.610 -7.300 1066 HD21 ASN 123 1HD2 ASN 123 -15.754 -8.498 -7.875 1067 HD22 ASN 123 2HD2 ASN 123 -15.587 -9.926 -8.830 1068 H ALA 124 H ALA 124 -21.702 -9.772 -7.907 1069 HA ALA 124 HA ALA 124 -21.182 -11.118 -5.420 1070 HB1 ALA 124 3HB ALA 124 -23.286 -11.643 -7.564 1071 HB2 ALA 124 1HB ALA 124 -23.486 -10.643 -6.121 1072 HB3 ALA 124 2HB ALA 124 -23.251 -12.384 -5.962 1073 H ARG 125 H ARG 125 -19.305 -12.231 -5.581 1074 HA ARG 125 HA ARG 125 -18.643 -14.024 -7.768 1075 HB2 ARG 125 2HB ARG 125 -16.945 -12.597 -6.521 1076 HB3 ARG 125 1HB ARG 125 -17.231 -13.578 -5.091 1077 HG2 ARG 125 2HG ARG 125 -16.583 -15.558 -6.849 1078 HG3 ARG 125 1HG ARG 125 -15.684 -14.225 -7.578 1079 HD2 ARG 125 2HD ARG 125 -14.191 -15.342 -6.070 1080 HD3 ARG 125 1HD ARG 125 -14.646 -13.819 -5.292 1081 HE ARG 125 HE ARG 125 -16.188 -16.217 -4.636 1082 HH11 ARG 125 1HH1 ARG 125 -13.763 -13.893 -3.559 1083 HH12 ARG 125 2HH1 ARG 125 -13.887 -14.372 -1.897 1084 HH21 ARG 125 1HH2 ARG 125 -16.317 -16.857 -2.508 1085 HH22 ARG 125 2HH2 ARG 125 -15.345 -16.064 -1.309 1086 H THR 126 H THR 126 -18.651 -16.297 -7.615 1087 HA THR 126 HA THR 126 -20.346 -17.666 -5.847 1088 HB THR 126 HB THR 126 -19.168 -19.774 -6.720 1089 HG1 THR 126 HG1 THR 126 -17.135 -18.456 -7.131 1090 HG21 THR 126 3HG2 THR 126 -19.987 -19.546 -9.036 1091 HG22 THR 126 1HG2 THR 126 -20.084 -17.795 -8.842 1092 HG23 THR 126 2HG2 THR 126 -21.139 -18.847 -7.896 Start of MODEL 9 1 H1 SER 58 1H SER 58 -33.452 -16.350 30.101 2 H2 SER 58 2H SER 58 -35.088 -16.676 29.837 3 H3 SER 58 3H SER 58 -34.164 -15.970 28.617 4 HA SER 58 HA SER 58 -33.797 -18.673 29.716 5 HB2 SER 58 2HB SER 58 -34.545 -19.351 27.363 6 HB3 SER 58 1HB SER 58 -35.798 -18.644 28.381 7 HG SER 58 HG SER 58 -36.034 -17.507 26.592 8 H HIS 59 H HIS 59 -33.035 -16.850 26.720 9 HA HIS 59 HA HIS 59 -30.142 -17.102 27.144 10 HB2 HIS 59 2HB HIS 59 -31.592 -18.278 24.717 11 HB3 HIS 59 1HB HIS 59 -29.864 -17.928 24.721 12 HD1 HIS 59 HD1 HIS 59 -32.148 -20.629 25.312 13 HD2 HIS 59 HD2 HIS 59 -28.511 -19.445 26.935 14 HE1 HIS 59 HE1 HIS 59 -31.236 -22.666 26.469 15 HE2 HIS 59 HE2 HIS 59 -28.988 -21.949 27.351 16 H MET 60 H MET 60 -28.951 -15.783 25.472 17 HA MET 60 HA MET 60 -30.269 -13.231 25.069 18 HB2 MET 60 2HB MET 60 -27.471 -14.142 24.233 19 HB3 MET 60 1HB MET 60 -28.065 -12.487 24.169 20 HG2 MET 60 2HG MET 60 -28.332 -12.520 26.642 21 HG3 MET 60 1HG MET 60 -27.659 -14.149 26.661 22 HE1 MET 60 3HE MET 60 -25.218 -10.392 25.442 23 HE2 MET 60 1HE MET 60 -26.928 -10.348 25.882 24 HE3 MET 60 2HE MET 60 -26.421 -11.099 24.367 25 H ALA 61 H ALA 61 -31.958 -14.049 23.648 26 HA ALA 61 HA ALA 61 -31.246 -14.632 20.863 27 HB1 ALA 61 3HB ALA 61 -33.980 -14.313 22.171 28 HB2 ALA 61 1HB ALA 61 -33.146 -15.838 21.876 29 HB3 ALA 61 2HB ALA 61 -33.690 -14.855 20.517 30 H MET 62 H MET 62 -32.178 -11.975 22.886 31 HA MET 62 HA MET 62 -32.994 -10.042 20.999 32 HB2 MET 62 2HB MET 62 -33.330 -9.781 23.456 33 HB3 MET 62 1HB MET 62 -31.594 -9.674 23.694 34 HG2 MET 62 2HG MET 62 -31.671 -7.605 22.178 35 HG3 MET 62 1HG MET 62 -33.419 -7.652 22.390 36 HE1 MET 62 3HE MET 62 -33.718 -7.047 26.306 37 HE2 MET 62 1HE MET 62 -33.722 -8.597 25.463 38 HE3 MET 62 2HE MET 62 -34.630 -7.231 24.808 39 H LYS 63 H LYS 63 -31.824 -8.934 19.527 40 HA LYS 63 HA LYS 63 -30.166 -8.046 18.281 41 HB2 LYS 63 2HB LYS 63 -28.835 -7.749 21.001 42 HB3 LYS 63 1HB LYS 63 -28.252 -6.969 19.533 43 HG2 LYS 63 2HG LYS 63 -30.234 -5.603 19.378 44 HG3 LYS 63 1HG LYS 63 -31.036 -6.527 20.644 45 HD2 LYS 63 2HD LYS 63 -30.314 -4.354 21.500 46 HD3 LYS 63 1HD LYS 63 -29.444 -5.648 22.318 47 HE2 LYS 63 2HE LYS 63 -28.232 -4.212 19.955 48 HE3 LYS 63 1HE LYS 63 -28.143 -3.524 21.572 49 HZ1 LYS 63 3HZ LYS 63 -27.029 -5.539 22.324 50 HZ2 LYS 63 1HZ LYS 63 -26.171 -4.794 21.067 51 HZ3 LYS 63 2HZ LYS 63 -27.091 -6.177 20.760 52 HA PRO 64 HA PRO 64 -27.496 -11.853 17.863 53 HB2 PRO 64 2HB PRO 64 -28.666 -12.006 15.134 54 HB3 PRO 64 1HB PRO 64 -28.665 -13.235 16.412 55 HG2 PRO 64 2HG PRO 64 -30.933 -11.985 15.653 56 HG3 PRO 64 1HG PRO 64 -30.654 -12.501 17.333 57 HD2 PRO 64 2HD PRO 64 -30.314 -9.755 16.128 58 HD3 PRO 64 1HD PRO 64 -31.119 -10.233 17.643 59 HA PRO 65 HA PRO 65 -24.353 -9.078 15.973 60 HB2 PRO 65 2HB PRO 65 -23.211 -11.778 15.158 61 HB3 PRO 65 1HB PRO 65 -22.389 -10.376 15.882 62 HG2 PRO 65 2HG PRO 65 -23.010 -12.459 17.398 63 HG3 PRO 65 1HG PRO 65 -23.215 -10.805 18.024 64 HD2 PRO 65 2HD PRO 65 -25.298 -12.744 17.081 65 HD3 PRO 65 1HD PRO 65 -25.386 -11.527 18.373 66 H GLY 66 H GLY 66 -25.330 -8.076 14.258 67 HA2 GLY 66 2HA GLY 66 -26.021 -9.632 11.830 68 HA3 GLY 66 1HA GLY 66 -26.830 -8.171 12.370 69 H ALA 67 H ALA 67 -23.634 -9.341 11.390 70 HA ALA 67 HA ALA 67 -23.341 -7.043 9.567 71 HB1 ALA 67 3HB ALA 67 -21.177 -7.917 11.528 72 HB2 ALA 67 1HB ALA 67 -22.108 -6.419 11.615 73 HB3 ALA 67 2HB ALA 67 -21.002 -6.691 10.270 74 H GLN 68 H GLN 68 -23.401 -8.129 7.686 75 HA GLN 68 HA GLN 68 -22.529 -10.772 7.188 76 HB2 GLN 68 2HB GLN 68 -24.183 -9.689 5.734 77 HB3 GLN 68 1HB GLN 68 -23.039 -8.433 5.290 78 HG2 GLN 68 2HG GLN 68 -23.306 -9.975 3.447 79 HG3 GLN 68 1HG GLN 68 -21.670 -10.110 4.090 80 HE21 GLN 68 1HE2 GLN 68 -21.385 -12.177 3.212 81 HE22 GLN 68 2HE2 GLN 68 -22.193 -13.574 3.831 82 H GLY 69 H GLY 69 -21.001 -7.619 6.547 83 HA2 GLY 69 2HA GLY 69 -18.840 -6.971 6.142 84 HA3 GLY 69 1HA GLY 69 -18.318 -8.483 6.870 85 H SER 70 H SER 70 -20.092 -7.575 3.922 86 HA SER 70 HA SER 70 -19.161 -9.760 2.370 87 HB2 SER 70 2HB SER 70 -21.313 -8.717 1.937 88 HB3 SER 70 1HB SER 70 -20.545 -7.171 1.564 89 HG SER 70 HG SER 70 -20.232 -9.609 0.149 90 H GLN 71 H GLN 71 -18.421 -6.283 2.209 91 HA GLN 71 HA GLN 71 -16.202 -6.689 0.349 92 HB2 GLN 71 2HB GLN 71 -17.330 -4.159 1.620 93 HB3 GLN 71 1HB GLN 71 -16.065 -4.201 0.396 94 HG2 GLN 71 2HG GLN 71 -17.601 -5.113 -1.244 95 HG3 GLN 71 1HG GLN 71 -18.882 -5.228 -0.033 96 HE21 GLN 71 1HE2 GLN 71 -18.639 -3.680 -2.586 97 HE22 GLN 71 2HE2 GLN 71 -19.011 -2.050 -2.161 98 H SER 72 H SER 72 -16.518 -6.943 3.662 99 HA SER 72 HA SER 72 -14.673 -5.473 4.950 100 HB2 SER 72 2HB SER 72 -16.150 -7.141 6.039 101 HB3 SER 72 1HB SER 72 -15.116 -8.447 5.448 102 HG SER 72 HG SER 72 -13.375 -7.347 6.647 103 H THR 73 H THR 73 -13.875 -8.617 3.447 104 HA THR 73 HA THR 73 -11.192 -8.844 3.737 105 HB THR 73 HB THR 73 -12.427 -10.543 2.534 106 HG1 THR 73 HG1 THR 73 -11.012 -10.690 0.565 107 HG21 THR 73 3HG2 THR 73 -13.245 -10.284 0.239 108 HG22 THR 73 1HG2 THR 73 -12.713 -8.596 0.214 109 HG23 THR 73 2HG2 THR 73 -14.015 -9.099 1.293 110 H TYR 74 H TYR 74 -12.735 -6.788 1.300 111 HA TYR 74 HA TYR 74 -10.254 -5.813 0.170 112 HB2 TYR 74 2HB TYR 74 -12.418 -6.284 -1.119 113 HB3 TYR 74 1HB TYR 74 -13.091 -4.841 -0.368 114 HD1 TYR 74 HD1 TYR 74 -9.532 -4.856 -1.389 115 HD2 TYR 74 HD2 TYR 74 -13.506 -3.865 -2.615 116 HE1 TYR 74 HE1 TYR 74 -8.642 -3.538 -3.241 117 HE2 TYR 74 HE2 TYR 74 -12.598 -2.542 -4.472 118 HH TYR 74 HH TYR 74 -10.441 -1.367 -5.036 119 H THR 75 H THR 75 -12.583 -4.764 2.540 120 HA THR 75 HA THR 75 -11.761 -2.005 2.732 121 HB THR 75 HB THR 75 -13.333 -3.657 4.772 122 HG1 THR 75 HG1 THR 75 -14.051 -3.364 2.364 123 HG21 THR 75 3HG2 THR 75 -13.307 -0.649 4.241 124 HG22 THR 75 1HG2 THR 75 -12.570 -1.449 5.627 125 HG23 THR 75 2HG2 THR 75 -14.321 -1.482 5.421 126 H ASP 76 H ASP 76 -10.788 -5.052 4.151 127 HA ASP 76 HA ASP 76 -9.129 -4.121 6.249 128 HB2 ASP 76 2HB ASP 76 -9.154 -6.676 4.597 129 HB3 ASP 76 1HB ASP 76 -7.853 -6.368 5.735 130 H LEU 77 H LEU 77 -8.603 -4.816 2.816 131 HA LEU 77 HA LEU 77 -5.884 -4.126 2.628 132 HB2 LEU 77 2HB LEU 77 -7.047 -5.375 0.876 133 HB3 LEU 77 1HB LEU 77 -8.102 -4.010 0.547 134 HG LEU 77 HG LEU 77 -6.264 -2.739 -0.426 135 HD11 LEU 77 1HD1 LEU 77 -3.996 -3.650 -0.689 136 HD12 LEU 77 2HD1 LEU 77 -4.432 -5.044 0.302 137 HD13 LEU 77 3HD1 LEU 77 -4.414 -3.426 1.007 138 HD21 LEU 77 3HD2 LEU 77 -6.302 -5.578 -1.514 139 HD22 LEU 77 1HD2 LEU 77 -5.760 -4.140 -2.386 140 HD23 LEU 77 2HD2 LEU 77 -7.447 -4.294 -1.909 141 H LEU 78 H LEU 78 -8.815 -2.156 2.174 142 HA LEU 78 HA LEU 78 -7.743 0.352 1.578 143 HB2 LEU 78 2HB LEU 78 -10.181 -0.283 1.580 144 HB3 LEU 78 1HB LEU 78 -10.165 -0.248 3.328 145 HG LEU 78 HG LEU 78 -9.726 2.204 3.278 146 HD11 LEU 78 1HD1 LEU 78 -8.521 2.365 1.145 147 HD12 LEU 78 2HD1 LEU 78 -9.886 3.474 1.183 148 HD13 LEU 78 3HD1 LEU 78 -10.001 1.974 0.261 149 HD21 LEU 78 3HD2 LEU 78 -11.965 2.897 2.499 150 HD22 LEU 78 1HD2 LEU 78 -12.040 1.394 3.418 151 HD23 LEU 78 2HD2 LEU 78 -12.157 1.356 1.656 152 H SER 79 H SER 79 -8.171 -1.246 4.680 153 HA SER 79 HA SER 79 -7.338 0.939 6.333 154 HB2 SER 79 2HB SER 79 -8.943 -0.802 7.094 155 HB3 SER 79 1HB SER 79 -7.661 -2.013 7.021 156 HG SER 79 HG SER 79 -7.837 0.255 8.708 157 H VAL 80 H VAL 80 -5.701 -1.932 4.957 158 HA VAL 80 HA VAL 80 -3.277 -1.782 6.433 159 HB VAL 80 HB VAL 80 -3.737 -2.905 3.615 160 HG11 VAL 80 1HG1 VAL 80 -1.619 -4.163 3.903 161 HG12 VAL 80 2HG1 VAL 80 -1.317 -3.319 5.425 162 HG13 VAL 80 3HG1 VAL 80 -1.345 -2.421 3.907 163 HG21 VAL 80 3HG2 VAL 80 -5.042 -4.077 5.320 164 HG22 VAL 80 1HG2 VAL 80 -3.593 -4.346 6.289 165 HG23 VAL 80 2HG2 VAL 80 -3.763 -5.113 4.707 166 H ILE 81 H ILE 81 -4.270 -0.427 3.290 167 HA ILE 81 HA ILE 81 -1.988 0.932 2.501 168 HB ILE 81 HB ILE 81 -4.863 1.925 2.193 169 HG12 ILE 81 2HG1 ILE 81 -4.711 -0.322 1.278 170 HG13 ILE 81 1HG1 ILE 81 -4.823 0.815 -0.048 171 HG21 ILE 81 1HG2 ILE 81 -2.379 2.620 0.597 172 HG22 ILE 81 2HG2 ILE 81 -3.282 3.687 1.671 173 HG23 ILE 81 3HG2 ILE 81 -4.022 3.111 0.182 174 HD11 ILE 81 3HD1 ILE 81 -2.389 0.571 -0.413 175 HD12 ILE 81 1HD1 ILE 81 -3.271 -0.947 -0.567 176 HD13 ILE 81 2HD1 ILE 81 -2.340 -0.620 0.890 177 H GLU 82 H GLU 82 -4.595 2.026 4.616 178 HA GLU 82 HA GLU 82 -3.735 4.653 5.111 179 HB2 GLU 82 2HB GLU 82 -6.026 3.726 5.547 180 HB3 GLU 82 1HB GLU 82 -5.374 2.801 6.895 181 HG2 GLU 82 2HG GLU 82 -6.506 4.738 7.755 182 HG3 GLU 82 1HG GLU 82 -4.777 4.927 8.036 183 H GLU 83 H GLU 83 -3.211 1.651 7.000 184 HA GLU 83 HA GLU 83 -1.881 2.910 9.179 185 HB2 GLU 83 2HB GLU 83 -1.925 -0.018 8.359 186 HB3 GLU 83 1HB GLU 83 -1.301 0.579 9.894 187 HG2 GLU 83 2HG GLU 83 -4.164 0.670 8.918 188 HG3 GLU 83 1HG GLU 83 -3.514 -0.280 10.250 189 H MET 84 H MET 84 -0.673 1.217 6.293 190 HA MET 84 HA MET 84 2.084 1.360 6.826 191 HB2 MET 84 2HB MET 84 0.600 1.419 4.159 192 HB3 MET 84 1HB MET 84 2.350 1.284 4.295 193 HG2 MET 84 2HG MET 84 2.044 -0.825 5.586 194 HG3 MET 84 1HG MET 84 0.308 -0.706 5.296 195 HE1 MET 84 3HE MET 84 -0.774 -0.855 2.764 196 HE2 MET 84 1HE MET 84 0.221 -1.085 1.327 197 HE3 MET 84 2HE MET 84 0.300 0.435 2.217 198 H GLY 85 H GLY 85 -0.171 3.664 5.375 199 HA2 GLY 85 2HA GLY 85 1.560 5.711 4.601 200 HA3 GLY 85 1HA GLY 85 -0.116 5.926 5.080 201 H LYS 86 H LYS 86 0.476 4.844 7.774 202 HA LYS 86 HA LYS 86 1.230 7.383 9.025 203 HB2 LYS 86 2HB LYS 86 0.125 4.780 10.188 204 HB3 LYS 86 1HB LYS 86 0.343 6.281 11.089 205 HG2 LYS 86 2HG LYS 86 -1.446 7.360 9.996 206 HG3 LYS 86 1HG LYS 86 -1.392 6.264 8.615 207 HD2 LYS 86 2HD LYS 86 -3.386 5.777 9.896 208 HD3 LYS 86 1HD LYS 86 -2.268 4.427 10.078 209 HE2 LYS 86 2HE LYS 86 -1.621 5.265 12.307 210 HE3 LYS 86 1HE LYS 86 -2.718 6.636 12.113 211 HZ1 LYS 86 3HZ LYS 86 -3.669 4.811 13.440 212 HZ2 LYS 86 1HZ LYS 86 -3.569 3.783 12.098 213 HZ3 LYS 86 2HZ LYS 86 -4.579 5.138 12.053 214 H GLU 87 H GLU 87 2.368 4.083 8.596 215 HA GLU 87 HA GLU 87 4.431 4.166 10.617 216 HB2 GLU 87 2HB GLU 87 3.781 2.182 8.403 217 HB3 GLU 87 1HB GLU 87 5.162 1.976 9.476 218 HG2 GLU 87 2HG GLU 87 2.252 2.091 10.314 219 HG3 GLU 87 1HG GLU 87 3.271 0.649 10.261 220 H ILE 88 H ILE 88 4.229 5.591 7.639 221 HA ILE 88 HA ILE 88 6.859 5.331 6.597 222 HB ILE 88 HB ILE 88 4.776 7.537 6.263 223 HG12 ILE 88 2HG1 ILE 88 5.470 5.196 4.427 224 HG13 ILE 88 1HG1 ILE 88 4.070 5.265 5.488 225 HG21 ILE 88 1HG2 ILE 88 6.985 8.443 5.696 226 HG22 ILE 88 2HG2 ILE 88 6.012 8.251 4.241 227 HG23 ILE 88 3HG2 ILE 88 7.287 7.087 4.604 228 HD11 ILE 88 3HD1 ILE 88 3.463 5.743 3.217 229 HD12 ILE 88 1HD1 ILE 88 4.611 7.076 3.150 230 HD13 ILE 88 2HD1 ILE 88 3.210 7.165 4.225 231 H ARG 89 H ARG 89 5.396 7.416 9.052 232 HA ARG 89 HA ARG 89 7.448 9.380 9.094 233 HB2 ARG 89 2HB ARG 89 5.185 9.913 9.889 234 HB3 ARG 89 1HB ARG 89 5.337 8.749 11.199 235 HG2 ARG 89 2HG ARG 89 5.655 10.992 12.076 236 HG3 ARG 89 1HG ARG 89 7.176 10.110 12.174 237 HD2 ARG 89 2HD ARG 89 7.794 11.252 9.949 238 HD3 ARG 89 1HD ARG 89 6.408 12.307 10.240 239 HE ARG 89 HE ARG 89 7.712 12.598 12.532 240 HH11 ARG 89 1HH1 ARG 89 8.980 12.626 9.252 241 HH12 ARG 89 2HH1 ARG 89 10.292 13.692 9.636 242 HH21 ARG 89 1HH2 ARG 89 9.484 13.946 13.048 243 HH22 ARG 89 2HH2 ARG 89 10.577 14.442 11.797 244 HA PRO 90 HA PRO 90 9.414 7.099 12.912 245 HB2 PRO 90 2HB PRO 90 8.707 4.446 13.365 246 HB3 PRO 90 1HB PRO 90 8.028 5.835 14.231 247 HG2 PRO 90 2HG PRO 90 6.855 4.276 11.969 248 HG3 PRO 90 1HG PRO 90 6.058 4.986 13.388 249 HD2 PRO 90 2HD PRO 90 5.968 6.120 10.911 250 HD3 PRO 90 1HD PRO 90 5.883 7.067 12.413 251 H THR 91 H THR 91 8.577 5.039 10.094 252 HA THR 91 HA THR 91 11.022 3.709 9.701 253 HB THR 91 HB THR 91 9.031 4.781 7.649 254 HG1 THR 91 HG1 THR 91 8.009 2.979 8.053 255 HG21 THR 91 3HG2 THR 91 11.325 2.835 7.148 256 HG22 THR 91 1HG2 THR 91 11.162 4.452 6.456 257 HG23 THR 91 2HG2 THR 91 10.021 3.184 6.012 258 H TYR 92 H TYR 92 9.977 6.878 8.530 259 HA TYR 92 HA TYR 92 12.351 7.702 7.259 260 HB2 TYR 92 2HB TYR 92 10.078 8.697 6.880 261 HB3 TYR 92 1HB TYR 92 10.149 9.434 8.479 262 HD1 TYR 92 HD2 TYR 92 12.122 9.246 5.299 263 HD2 TYR 92 HD1 TYR 92 10.952 11.679 8.610 264 HE1 TYR 92 HE2 TYR 92 13.305 11.141 4.336 265 HE2 TYR 92 HE1 TYR 92 12.149 13.581 7.627 266 HH TYR 92 HH TYR 92 14.178 13.792 5.956 267 H ALA 93 H ALA 93 11.331 7.787 10.603 268 HA ALA 93 HA ALA 93 13.339 9.636 11.557 269 HB1 ALA 93 3HB ALA 93 12.488 9.063 13.782 270 HB2 ALA 93 1HB ALA 93 11.565 7.717 13.105 271 HB3 ALA 93 2HB ALA 93 11.153 9.377 12.674 272 H GLY 94 H GLY 94 13.695 6.586 10.378 273 HA2 GLY 94 2HA GLY 94 15.600 5.288 10.338 274 HA3 GLY 94 1HA GLY 94 16.228 6.161 11.726 275 H SER 95 H SER 95 13.136 5.273 12.596 276 HA SER 95 HA SER 95 13.925 3.101 14.239 277 HB2 SER 95 2HB SER 95 11.112 3.958 13.429 278 HB3 SER 95 1HB SER 95 11.535 2.944 14.812 279 HG SER 95 HG SER 95 12.974 5.192 14.920 280 H LYS 96 H LYS 96 14.746 1.397 13.148 281 HA LYS 96 HA LYS 96 14.024 0.289 10.709 282 HB2 LYS 96 2HB LYS 96 15.376 -1.678 11.350 283 HB3 LYS 96 1HB LYS 96 16.164 -0.191 11.840 284 HG2 LYS 96 2HG LYS 96 16.551 -1.489 13.714 285 HG3 LYS 96 1HG LYS 96 15.043 -0.706 14.190 286 HD2 LYS 96 2HD LYS 96 13.807 -2.730 13.359 287 HD3 LYS 96 1HD LYS 96 15.357 -3.500 13.035 288 HE2 LYS 96 2HE LYS 96 15.895 -3.398 15.451 289 HE3 LYS 96 1HE LYS 96 14.331 -2.634 15.758 290 HZ1 LYS 96 3HZ LYS 96 13.266 -4.632 14.809 291 HZ2 LYS 96 1HZ LYS 96 14.174 -4.971 16.196 292 HZ3 LYS 96 2HZ LYS 96 14.779 -5.362 14.667 293 H SER 97 H SER 97 12.622 -0.259 13.854 294 HA SER 97 HA SER 97 11.288 -2.658 13.424 295 HB2 SER 97 2HB SER 97 10.491 -0.339 15.229 296 HB3 SER 97 1HB SER 97 9.845 -1.982 15.336 297 HG SER 97 HG SER 97 12.223 -0.979 16.235 298 H ALA 98 H ALA 98 10.166 0.679 12.900 299 HA ALA 98 HA ALA 98 7.557 0.084 11.939 300 HB1 ALA 98 3HB ALA 98 7.538 2.418 11.169 301 HB2 ALA 98 1HB ALA 98 9.279 2.538 11.440 302 HB3 ALA 98 2HB ALA 98 8.185 2.294 12.802 303 H MET 99 H MET 99 10.705 0.510 10.337 304 HA MET 99 HA MET 99 9.877 0.504 7.650 305 HB2 MET 99 2HB MET 99 12.074 1.287 8.327 306 HB3 MET 99 1HB MET 99 12.512 -0.292 8.958 307 HG2 MET 99 2HG MET 99 11.913 0.107 6.024 308 HG3 MET 99 1HG MET 99 13.502 0.455 6.693 309 HE1 MET 99 3HE MET 99 14.636 -3.085 7.971 310 HE2 MET 99 1HE MET 99 13.780 -1.874 8.928 311 HE3 MET 99 2HE MET 99 15.067 -1.382 7.826 312 H GLU 100 H GLU 100 10.842 -2.183 9.784 313 HA GLU 100 HA GLU 100 10.601 -4.318 7.922 314 HB2 GLU 100 2HB GLU 100 10.270 -4.373 10.961 315 HB3 GLU 100 1HB GLU 100 10.513 -5.791 9.943 316 HG2 GLU 100 2HG GLU 100 12.749 -5.015 9.344 317 HG3 GLU 100 1HG GLU 100 12.509 -3.536 10.270 318 H ARG 101 H ARG 101 8.323 -2.740 10.107 319 HA ARG 101 HA ARG 101 6.114 -4.535 9.697 320 HB2 ARG 101 2HB ARG 101 6.480 -3.115 11.755 321 HB3 ARG 101 1HB ARG 101 6.128 -1.684 10.794 322 HG2 ARG 101 2HG ARG 101 4.168 -2.277 12.087 323 HG3 ARG 101 1HG ARG 101 3.832 -2.557 10.379 324 HD2 ARG 101 2HD ARG 101 4.096 -4.947 10.651 325 HD3 ARG 101 1HD ARG 101 4.673 -4.747 12.310 326 HE ARG 101 HE ARG 101 2.115 -3.602 12.110 327 HH11 ARG 101 1HH1 ARG 101 3.568 -6.817 11.998 328 HH12 ARG 101 2HH1 ARG 101 2.147 -7.601 12.608 329 HH21 ARG 101 1HH2 ARG 101 0.280 -4.660 12.943 330 HH22 ARG 101 2HH2 ARG 101 0.294 -6.384 13.142 331 H LEU 102 H LEU 102 7.321 -1.674 8.156 332 HA LEU 102 HA LEU 102 4.982 -0.876 6.715 333 HB2 LEU 102 2HB LEU 102 6.865 0.666 7.327 334 HB3 LEU 102 1HB LEU 102 7.926 -0.207 6.235 335 HG LEU 102 HG LEU 102 6.657 0.586 4.292 336 HD11 LEU 102 1HD1 LEU 102 4.818 2.196 4.492 337 HD12 LEU 102 2HD1 LEU 102 4.840 2.018 6.248 338 HD13 LEU 102 3HD1 LEU 102 4.403 0.648 5.224 339 HD21 LEU 102 3HD2 LEU 102 7.185 2.986 4.426 340 HD22 LEU 102 1HD2 LEU 102 8.469 2.018 5.141 341 HD23 LEU 102 2HD2 LEU 102 7.330 2.873 6.182 342 H LYS 103 H LYS 103 7.977 -2.615 5.850 343 HA LYS 103 HA LYS 103 7.256 -3.291 3.185 344 HB2 LYS 103 2HB LYS 103 9.190 -4.737 5.030 345 HB3 LYS 103 1HB LYS 103 9.104 -4.921 3.279 346 HG2 LYS 103 2HG LYS 103 9.738 -2.526 3.024 347 HG3 LYS 103 1HG LYS 103 9.893 -2.406 4.777 348 HD2 LYS 103 2HD LYS 103 11.545 -4.148 2.922 349 HD3 LYS 103 1HD LYS 103 12.094 -2.714 3.787 350 HE2 LYS 103 2HE LYS 103 11.770 -3.872 5.933 351 HE3 LYS 103 1HE LYS 103 11.171 -5.298 5.084 352 HZ1 LYS 103 3HZ LYS 103 13.899 -4.163 4.951 353 HZ2 LYS 103 1HZ LYS 103 13.355 -5.420 3.961 354 HZ3 LYS 103 2HZ LYS 103 13.441 -5.634 5.634 355 H ARG 104 H ARG 104 6.814 -4.951 6.297 356 HA ARG 104 HA ARG 104 5.692 -7.367 5.341 357 HB2 ARG 104 2HB ARG 104 6.350 -7.156 7.681 358 HB3 ARG 104 1HB ARG 104 5.199 -5.847 7.939 359 HG2 ARG 104 2HG ARG 104 3.326 -7.383 7.619 360 HG3 ARG 104 1HG ARG 104 4.428 -8.714 7.272 361 HD2 ARG 104 2HD ARG 104 5.227 -8.738 9.546 362 HD3 ARG 104 1HD ARG 104 4.402 -7.214 9.908 363 HE ARG 104 HE ARG 104 2.298 -8.577 9.341 364 HH11 ARG 104 1HH1 ARG 104 5.048 -9.925 11.053 365 HH12 ARG 104 2HH1 ARG 104 4.090 -11.085 11.914 366 HH21 ARG 104 1HH2 ARG 104 1.045 -10.022 10.525 367 HH22 ARG 104 2HH2 ARG 104 1.809 -11.135 11.611 368 H GLY 105 H GLY 105 4.282 -4.203 6.055 369 HA2 GLY 105 2HA GLY 105 1.564 -4.729 5.577 370 HA3 GLY 105 1HA GLY 105 2.363 -3.172 5.375 371 H ILE 106 H ILE 106 4.192 -3.768 3.367 372 HA ILE 106 HA ILE 106 2.648 -3.703 0.990 373 HB ILE 106 HB ILE 106 5.596 -3.711 1.611 374 HG12 ILE 106 2HG1 ILE 106 5.573 -1.725 0.062 375 HG13 ILE 106 1HG1 ILE 106 3.860 -1.982 -0.223 376 HG21 ILE 106 1HG2 ILE 106 4.645 -4.359 -1.207 377 HG22 ILE 106 2HG2 ILE 106 5.593 -5.410 -0.151 378 HG23 ILE 106 3HG2 ILE 106 6.294 -3.911 -0.761 379 HD11 ILE 106 3HD1 ILE 106 4.273 -0.161 1.323 380 HD12 ILE 106 1HD1 ILE 106 5.135 -1.248 2.408 381 HD13 ILE 106 2HD1 ILE 106 3.409 -1.472 2.124 382 H ILE 107 H ILE 107 4.503 -6.360 2.501 383 HA ILE 107 HA ILE 107 4.222 -8.312 0.478 384 HB ILE 107 HB ILE 107 4.534 -8.626 3.497 385 HG12 ILE 107 2HG1 ILE 107 6.632 -8.935 1.291 386 HG13 ILE 107 1HG1 ILE 107 6.423 -7.483 2.262 387 HG21 ILE 107 1HG2 ILE 107 5.234 -10.982 3.077 388 HG22 ILE 107 2HG2 ILE 107 4.792 -10.795 1.378 389 HG23 ILE 107 3HG2 ILE 107 3.552 -10.694 2.628 390 HD11 ILE 107 3HD1 ILE 107 8.275 -8.789 3.071 391 HD12 ILE 107 1HD1 ILE 107 7.237 -10.201 3.281 392 HD13 ILE 107 2HD1 ILE 107 6.989 -8.765 4.278 393 H HIS 108 H HIS 108 2.224 -7.516 3.258 394 HA HIS 108 HA HIS 108 0.250 -9.562 2.902 395 HB2 HIS 108 2HB HIS 108 0.625 -8.659 5.131 396 HB3 HIS 108 1HB HIS 108 0.269 -7.025 4.583 397 HD1 HIS 108 HD1 HIS 108 -1.799 -6.414 5.756 398 HD2 HIS 108 HD2 HIS 108 -2.046 -10.248 4.205 399 HE1 HIS 108 HE1 HIS 108 -4.140 -7.165 6.224 400 HE2 HIS 108 HE2 HIS 108 -4.312 -9.420 5.126 401 H ALA 109 H ALA 109 0.382 -6.094 2.073 402 HA ALA 109 HA ALA 109 -2.325 -5.836 1.203 403 HB1 ALA 109 3HB ALA 109 -0.959 -3.901 1.884 404 HB2 ALA 109 1HB ALA 109 -1.619 -3.675 0.261 405 HB3 ALA 109 2HB ALA 109 0.077 -4.120 0.475 406 H ARG 110 H ARG 110 0.695 -6.556 -0.430 407 HA ARG 110 HA ARG 110 -0.180 -6.618 -3.135 408 HB2 ARG 110 2HB ARG 110 2.201 -6.469 -2.437 409 HB3 ARG 110 1HB ARG 110 2.133 -8.076 -1.751 410 HG2 ARG 110 2HG ARG 110 1.710 -7.602 -4.716 411 HG3 ARG 110 1HG ARG 110 3.317 -7.736 -4.014 412 HD2 ARG 110 2HD ARG 110 1.170 -9.854 -4.173 413 HD3 ARG 110 1HD ARG 110 2.822 -9.898 -4.806 414 HE ARG 110 HE ARG 110 3.360 -9.686 -2.236 415 HH11 ARG 110 1HH1 ARG 110 1.004 -11.808 -3.778 416 HH12 ARG 110 2HH1 ARG 110 1.110 -13.007 -2.531 417 HH21 ARG 110 1HH2 ARG 110 3.391 -11.215 -0.574 418 HH22 ARG 110 2HH2 ARG 110 2.458 -12.672 -0.718 419 H ALA 111 H ALA 111 -0.071 -9.053 -0.533 420 HA ALA 111 HA ALA 111 -0.873 -11.315 -2.063 421 HB1 ALA 111 3HB ALA 111 -1.355 -12.369 0.114 422 HB2 ALA 111 1HB ALA 111 -1.212 -10.801 0.917 423 HB3 ALA 111 2HB ALA 111 0.197 -11.533 0.146 424 H LEU 112 H LEU 112 -2.637 -8.877 -0.197 425 HA LEU 112 HA LEU 112 -5.236 -9.974 -0.301 426 HB2 LEU 112 2HB LEU 112 -4.323 -7.094 0.022 427 HB3 LEU 112 1HB LEU 112 -6.004 -7.592 0.168 428 HG LEU 112 HG LEU 112 -3.733 -8.511 1.971 429 HD11 LEU 112 1HD1 LEU 112 -4.849 -7.166 3.710 430 HD12 LEU 112 2HD1 LEU 112 -6.013 -6.582 2.519 431 HD13 LEU 112 3HD1 LEU 112 -4.304 -6.172 2.361 432 HD21 LEU 112 3HD2 LEU 112 -6.705 -9.146 2.136 433 HD22 LEU 112 1HD2 LEU 112 -5.483 -9.587 3.335 434 HD23 LEU 112 2HD2 LEU 112 -5.418 -10.280 1.718 435 H VAL 113 H VAL 113 -3.550 -7.745 -2.486 436 HA VAL 113 HA VAL 113 -5.788 -7.283 -4.194 437 HB VAL 113 HB VAL 113 -2.847 -7.063 -4.983 438 HG11 VAL 113 1HG1 VAL 113 -3.699 -5.471 -6.691 439 HG12 VAL 113 2HG1 VAL 113 -5.351 -5.825 -6.186 440 HG13 VAL 113 3HG1 VAL 113 -4.357 -7.093 -6.902 441 HG21 VAL 113 3HG2 VAL 113 -4.640 -4.902 -3.806 442 HG22 VAL 113 1HG2 VAL 113 -3.002 -4.665 -4.421 443 HG23 VAL 113 2HG2 VAL 113 -3.274 -5.669 -3.002 444 H ARG 114 H ARG 114 -2.984 -9.464 -4.374 445 HA ARG 114 HA ARG 114 -3.347 -10.679 -6.838 446 HB2 ARG 114 2HB ARG 114 -1.286 -11.008 -5.707 447 HB3 ARG 114 1HB ARG 114 -2.052 -11.622 -4.256 448 HG2 ARG 114 2HG ARG 114 -2.372 -13.272 -6.750 449 HG3 ARG 114 1HG ARG 114 -0.765 -13.210 -6.041 450 HD2 ARG 114 2HD ARG 114 -1.608 -14.106 -3.936 451 HD3 ARG 114 1HD ARG 114 -3.268 -14.034 -4.520 452 HE ARG 114 HE ARG 114 -1.187 -15.952 -5.312 453 HH11 ARG 114 1HH1 ARG 114 -4.548 -14.928 -5.627 454 HH12 ARG 114 2HH1 ARG 114 -5.057 -16.426 -6.341 455 HH21 ARG 114 1HH2 ARG 114 -1.895 -17.916 -6.210 456 HH22 ARG 114 2HH2 ARG 114 -3.560 -18.111 -6.668 457 H GLU 115 H GLU 115 -4.518 -11.879 -3.705 458 HA GLU 115 HA GLU 115 -5.644 -14.287 -4.647 459 HB2 GLU 115 2HB GLU 115 -6.742 -14.378 -2.388 460 HB3 GLU 115 1HB GLU 115 -5.012 -14.059 -2.328 461 HG2 GLU 115 2HG GLU 115 -5.540 -11.621 -2.035 462 HG3 GLU 115 1HG GLU 115 -7.242 -12.058 -1.935 463 H CYS 116 H CYS 116 -7.042 -11.094 -4.074 464 HA CYS 116 HA CYS 116 -9.740 -11.878 -4.627 465 HB2 CYS 116 2HB CYS 116 -8.524 -9.093 -4.561 466 HB3 CYS 116 1HB CYS 116 -10.247 -9.469 -4.566 467 HG CYS 116 HG CYS 116 -8.604 -8.780 -2.044 468 H LEU 117 H LEU 117 -7.091 -10.542 -6.590 469 HA LEU 117 HA LEU 117 -8.376 -9.622 -8.865 470 HB2 LEU 117 2HB LEU 117 -5.665 -10.905 -8.463 471 HB3 LEU 117 1HB LEU 117 -6.182 -10.512 -10.096 472 HG LEU 117 HG LEU 117 -5.908 -8.494 -7.833 473 HD11 LEU 117 1HD1 LEU 117 -3.910 -7.695 -9.039 474 HD12 LEU 117 2HD1 LEU 117 -4.064 -9.031 -10.186 475 HD13 LEU 117 3HD1 LEU 117 -3.725 -9.357 -8.484 476 HD21 LEU 117 3HD2 LEU 117 -7.624 -7.836 -9.460 477 HD22 LEU 117 1HD2 LEU 117 -6.484 -8.063 -10.791 478 HD23 LEU 117 2HD2 LEU 117 -6.213 -6.793 -9.592 479 H ALA 118 H ALA 118 -7.527 -12.936 -8.076 480 HA ALA 118 HA ALA 118 -8.146 -14.189 -10.500 481 HB1 ALA 118 3HB ALA 118 -6.870 -15.269 -8.702 482 HB2 ALA 118 1HB ALA 118 -8.230 -16.274 -9.207 483 HB3 ALA 118 2HB ALA 118 -8.320 -15.354 -7.701 484 H GLU 119 H GLU 119 -10.280 -13.672 -7.632 485 HA GLU 119 HA GLU 119 -12.626 -14.708 -9.030 486 HB2 GLU 119 2HB GLU 119 -13.801 -14.333 -6.915 487 HB3 GLU 119 1HB GLU 119 -12.287 -15.184 -6.641 488 HG2 GLU 119 2HG GLU 119 -11.235 -13.070 -5.894 489 HG3 GLU 119 1HG GLU 119 -12.760 -12.226 -6.161 490 H THR 120 H THR 120 -11.163 -11.639 -8.574 491 HA THR 120 HA THR 120 -13.547 -10.019 -8.998 492 HB THR 120 HB THR 120 -10.614 -9.142 -8.916 493 HG1 THR 120 HG1 THR 120 -11.760 -10.115 -6.950 494 HG21 THR 120 3HG2 THR 120 -11.497 -6.885 -8.474 495 HG22 THR 120 1HG2 THR 120 -13.156 -7.478 -8.630 496 HG23 THR 120 2HG2 THR 120 -12.080 -7.472 -10.032 497 H GLU 121 H GLU 121 -11.173 -11.624 -10.886 498 HA GLU 121 HA GLU 121 -11.438 -10.547 -13.412 499 HB2 GLU 121 2HB GLU 121 -10.013 -12.481 -12.935 500 HB3 GLU 121 1HB GLU 121 -11.409 -13.448 -12.482 501 HG2 GLU 121 2HG GLU 121 -10.750 -14.232 -14.592 502 HG3 GLU 121 1HG GLU 121 -12.183 -13.257 -14.890 503 H ARG 122 H ARG 122 -13.842 -12.237 -11.481 504 HA ARG 122 HA ARG 122 -15.798 -12.691 -13.533 505 HB2 ARG 122 2HB ARG 122 -16.125 -12.598 -10.500 506 HB3 ARG 122 1HB ARG 122 -17.355 -13.169 -11.623 507 HG2 ARG 122 2HG ARG 122 -14.654 -14.443 -11.086 508 HG3 ARG 122 1HG ARG 122 -16.237 -15.063 -10.614 509 HD2 ARG 122 2HD ARG 122 -15.170 -14.788 -13.447 510 HD3 ARG 122 1HD ARG 122 -15.446 -16.288 -12.555 511 HE ARG 122 HE ARG 122 -17.899 -15.244 -12.527 512 HH11 ARG 122 1HH1 ARG 122 -15.674 -15.610 -15.221 513 HH12 ARG 122 2HH1 ARG 122 -16.936 -15.754 -16.399 514 HH21 ARG 122 1HH2 ARG 122 -19.549 -15.388 -14.098 515 HH22 ARG 122 2HH2 ARG 122 -19.126 -15.626 -15.766 516 H ASN 123 H ASN 123 -14.915 -9.865 -11.784 517 HA ASN 123 HA ASN 123 -17.313 -8.453 -11.501 518 HB2 ASN 123 2HB ASN 123 -15.209 -7.695 -10.439 519 HB3 ASN 123 1HB ASN 123 -14.499 -7.356 -12.018 520 HD21 ASN 123 1HD2 ASN 123 -14.469 -5.224 -12.444 521 HD22 ASN 123 2HD2 ASN 123 -15.629 -4.057 -11.923 522 H ALA 124 H ALA 124 -18.564 -7.274 -12.864 523 HA ALA 124 HA ALA 124 -18.231 -7.519 -15.710 524 HB1 ALA 124 3HB ALA 124 -20.465 -7.602 -14.662 525 HB2 ALA 124 1HB ALA 124 -20.365 -6.316 -15.862 526 HB3 ALA 124 2HB ALA 124 -20.299 -5.924 -14.142 527 H ARG 125 H ARG 125 -16.127 -6.494 -15.760 528 HA ARG 125 HA ARG 125 -15.972 -3.590 -15.411 529 HB2 ARG 125 2HB ARG 125 -14.142 -5.071 -14.524 530 HB3 ARG 125 1HB ARG 125 -13.788 -5.594 -16.168 531 HG2 ARG 125 2HG ARG 125 -12.185 -3.880 -15.409 532 HG3 ARG 125 1HG ARG 125 -13.131 -3.317 -16.787 533 HD2 ARG 125 2HD ARG 125 -14.634 -2.098 -15.166 534 HD3 ARG 125 1HD ARG 125 -13.517 -2.543 -13.872 535 HE ARG 125 HE ARG 125 -12.364 -1.139 -16.132 536 HH11 ARG 125 1HH1 ARG 125 -13.734 -0.803 -12.912 537 HH12 ARG 125 2HH1 ARG 125 -13.009 0.753 -12.654 538 HH21 ARG 125 1HH2 ARG 125 -11.413 0.883 -15.758 539 HH22 ARG 125 2HH2 ARG 125 -11.701 1.703 -14.253 540 H THR 126 H THR 126 -16.134 -6.004 -17.927 541 HA THR 126 HA THR 126 -15.684 -4.084 -20.088 542 HB THR 126 HB THR 126 -16.491 -7.038 -20.244 543 HG1 THR 126 HG1 THR 126 -14.126 -5.842 -19.643 544 HG21 THR 126 3HG2 THR 126 -15.634 -6.922 -22.562 545 HG22 THR 126 1HG2 THR 126 -15.326 -5.195 -22.370 546 HG23 THR 126 2HG2 THR 126 -16.980 -5.805 -22.334 547 H1 SER 58 1H SER 58 -6.945 -12.889 6.248 548 H2 SER 58 2H SER 58 -7.396 -13.553 7.739 549 H3 SER 58 3H SER 58 -7.078 -14.566 6.424 550 HA SER 58 HA SER 58 -5.131 -12.803 7.751 551 HB2 SER 58 2HB SER 58 -4.123 -14.988 8.554 552 HB3 SER 58 1HB SER 58 -5.692 -14.606 9.259 553 HG SER 58 HG SER 58 -6.031 -16.617 8.634 554 H HIS 59 H HIS 59 -5.544 -15.580 5.514 555 HA HIS 59 HA HIS 59 -3.879 -14.392 3.488 556 HB2 HIS 59 2HB HIS 59 -2.199 -16.228 3.379 557 HB3 HIS 59 1HB HIS 59 -2.084 -15.336 4.890 558 HD1 HIS 59 HD1 HIS 59 -1.613 -18.587 3.865 559 HD2 HIS 59 HD2 HIS 59 -3.969 -16.984 6.882 560 HE1 HIS 59 HE1 HIS 59 -1.977 -20.457 5.504 561 HE2 HIS 59 HE2 HIS 59 -3.483 -19.490 7.268 562 H MET 60 H MET 60 -4.957 -14.823 1.672 563 HA MET 60 HA MET 60 -6.178 -17.501 1.246 564 HB2 MET 60 2HB MET 60 -7.414 -14.848 0.371 565 HB3 MET 60 1HB MET 60 -8.067 -16.446 0.051 566 HG2 MET 60 2HG MET 60 -8.413 -16.772 2.480 567 HG3 MET 60 1HG MET 60 -7.814 -15.139 2.767 568 HE1 MET 60 3HE MET 60 -10.163 -16.466 -0.163 569 HE2 MET 60 1HE MET 60 -11.749 -16.124 0.531 570 HE3 MET 60 2HE MET 60 -10.711 -17.338 1.271 571 H ALA 61 H ALA 61 -3.583 -16.621 0.498 572 HA ALA 61 HA ALA 61 -3.474 -15.615 -2.183 573 HB1 ALA 61 3HB ALA 61 -1.047 -15.959 -1.958 574 HB2 ALA 61 1HB ALA 61 -1.307 -16.882 -0.475 575 HB3 ALA 61 2HB ALA 61 -1.711 -15.165 -0.530 576 H MET 62 H MET 62 -4.704 -18.510 -1.460 577 HA MET 62 HA MET 62 -3.522 -19.990 -3.684 578 HB2 MET 62 2HB MET 62 -5.054 -21.780 -3.137 579 HB3 MET 62 1HB MET 62 -4.397 -21.188 -1.621 580 HG2 MET 62 2HG MET 62 -7.115 -20.452 -2.719 581 HG3 MET 62 1HG MET 62 -6.827 -21.719 -1.531 582 HE1 MET 62 3HE MET 62 -6.167 -21.251 1.002 583 HE2 MET 62 1HE MET 62 -5.664 -19.664 1.588 584 HE3 MET 62 2HE MET 62 -4.676 -20.518 0.403 585 H LYS 63 H LYS 63 -5.938 -20.997 -4.851 586 HA LYS 63 HA LYS 63 -7.506 -20.623 -6.410 587 HB2 LYS 63 2HB LYS 63 -8.597 -18.950 -4.904 588 HB3 LYS 63 1HB LYS 63 -7.536 -17.696 -5.529 589 HG2 LYS 63 2HG LYS 63 -9.676 -17.433 -6.575 590 HG3 LYS 63 1HG LYS 63 -8.558 -18.054 -7.795 591 HD2 LYS 63 2HD LYS 63 -9.454 -20.352 -7.388 592 HD3 LYS 63 1HD LYS 63 -10.615 -19.667 -6.247 593 HE2 LYS 63 2HE LYS 63 -11.560 -18.292 -8.104 594 HE3 LYS 63 1HE LYS 63 -10.454 -19.091 -9.224 595 HZ1 LYS 63 3HZ LYS 63 -11.491 -21.221 -8.574 596 HZ2 LYS 63 1HZ LYS 63 -12.582 -20.152 -9.305 597 HZ3 LYS 63 2HZ LYS 63 -12.608 -20.365 -7.636 598 HA PRO 64 HA PRO 64 -4.310 -20.347 -9.580 599 HB2 PRO 64 2HB PRO 64 -6.851 -19.961 -11.209 600 HB3 PRO 64 1HB PRO 64 -5.410 -20.929 -11.600 601 HG2 PRO 64 2HG PRO 64 -7.565 -22.110 -10.593 602 HG3 PRO 64 1HG PRO 64 -5.938 -22.605 -10.074 603 HD2 PRO 64 2HD PRO 64 -8.004 -21.101 -8.561 604 HD3 PRO 64 1HD PRO 64 -6.650 -22.077 -7.960 605 HA PRO 65 HA PRO 65 -4.195 -15.756 -10.021 606 HB2 PRO 65 2HB PRO 65 -1.513 -15.454 -10.004 607 HB3 PRO 65 1HB PRO 65 -2.382 -15.899 -8.522 608 HG2 PRO 65 2HG PRO 65 -0.820 -17.642 -10.385 609 HG3 PRO 65 1HG PRO 65 -0.849 -17.635 -8.608 610 HD2 PRO 65 2HD PRO 65 -2.302 -19.399 -10.188 611 HD3 PRO 65 1HD PRO 65 -2.714 -18.980 -8.511 612 H GLY 66 H GLY 66 -3.724 -18.160 -12.213 613 HA2 GLY 66 2HA GLY 66 -2.355 -16.818 -14.350 614 HA3 GLY 66 1HA GLY 66 -3.237 -18.336 -14.447 615 H ALA 67 H ALA 67 -5.447 -16.331 -13.100 616 HA ALA 67 HA ALA 67 -7.029 -15.791 -15.375 617 HB1 ALA 67 3HB ALA 67 -7.062 -14.402 -12.665 618 HB2 ALA 67 1HB ALA 67 -7.981 -15.842 -13.107 619 HB3 ALA 67 2HB ALA 67 -8.333 -14.301 -13.886 620 H GLN 68 H GLN 68 -7.252 -13.914 -16.644 621 HA GLN 68 HA GLN 68 -4.875 -12.490 -17.213 622 HB2 GLN 68 2HB GLN 68 -6.585 -12.963 -18.931 623 HB3 GLN 68 1HB GLN 68 -7.746 -11.942 -18.093 624 HG2 GLN 68 2HG GLN 68 -6.832 -10.791 -20.041 625 HG3 GLN 68 1HG GLN 68 -6.369 -9.962 -18.554 626 HE21 GLN 68 1HE2 GLN 68 -4.569 -8.949 -19.447 627 HE22 GLN 68 2HE2 GLN 68 -3.145 -9.808 -19.915 628 H GLY 69 H GLY 69 -7.782 -11.623 -15.397 629 HA2 GLY 69 2HA GLY 69 -8.153 -9.978 -13.827 630 HA3 GLY 69 1HA GLY 69 -6.481 -9.460 -13.999 631 H SER 70 H SER 70 -9.497 -9.563 -15.867 632 HA SER 70 HA SER 70 -8.986 -7.354 -17.568 633 HB2 SER 70 2HB SER 70 -11.662 -8.547 -16.730 634 HB3 SER 70 1HB SER 70 -11.402 -7.471 -18.111 635 HG SER 70 HG SER 70 -10.437 -10.110 -17.728 636 H GLN 71 H GLN 71 -10.026 -7.560 -14.298 637 HA GLN 71 HA GLN 71 -10.754 -4.768 -13.978 638 HB2 GLN 71 2HB GLN 71 -11.632 -6.638 -12.517 639 HB3 GLN 71 1HB GLN 71 -10.003 -6.894 -11.909 640 HG2 GLN 71 2HG GLN 71 -11.030 -5.643 -10.237 641 HG3 GLN 71 1HG GLN 71 -10.101 -4.441 -11.116 642 HE21 GLN 71 1HE2 GLN 71 -12.407 -4.099 -9.375 643 HE22 GLN 71 2HE2 GLN 71 -13.607 -3.302 -10.324 644 H SER 72 H SER 72 -8.520 -4.539 -15.385 645 HA SER 72 HA SER 72 -6.026 -4.762 -14.241 646 HB2 SER 72 2HB SER 72 -6.439 -4.417 -16.653 647 HB3 SER 72 1HB SER 72 -6.985 -2.769 -16.341 648 HG SER 72 HG SER 72 -4.438 -3.584 -15.469 649 H THR 73 H THR 73 -8.308 -2.041 -14.029 650 HA THR 73 HA THR 73 -6.854 -0.144 -12.695 651 HB THR 73 HB THR 73 -9.183 0.199 -13.360 652 HG1 THR 73 HG1 THR 73 -8.251 0.851 -10.842 653 HG21 THR 73 3HG2 THR 73 -11.086 -0.655 -12.046 654 HG22 THR 73 1HG2 THR 73 -9.980 -1.577 -11.021 655 HG23 THR 73 2HG2 THR 73 -10.154 -1.989 -12.729 656 H TYR 74 H TYR 74 -8.218 -3.088 -11.258 657 HA TYR 74 HA TYR 74 -7.248 -2.495 -8.582 658 HB2 TYR 74 2HB TYR 74 -9.387 -3.685 -8.945 659 HB3 TYR 74 1HB TYR 74 -8.530 -4.991 -9.749 660 HD1 TYR 74 HD1 TYR 74 -7.468 -3.302 -6.583 661 HD2 TYR 74 HD2 TYR 74 -9.168 -6.805 -8.332 662 HE1 TYR 74 HE1 TYR 74 -7.278 -4.466 -4.447 663 HE2 TYR 74 HE2 TYR 74 -8.969 -7.973 -6.175 664 HH TYR 74 HH TYR 74 -7.531 -7.745 -4.058 665 H THR 75 H THR 75 -6.167 -4.346 -11.407 666 HA THR 75 HA THR 75 -4.064 -5.777 -10.068 667 HB THR 75 HB THR 75 -4.059 -5.042 -13.029 668 HG1 THR 75 HG1 THR 75 -5.361 -6.903 -13.346 669 HG21 THR 75 3HG2 THR 75 -3.085 -7.538 -11.575 670 HG22 THR 75 1HG2 THR 75 -2.048 -6.237 -12.169 671 HG23 THR 75 2HG2 THR 75 -2.959 -7.228 -13.308 672 H ASP 76 H ASP 76 -4.448 -2.586 -11.385 673 HA ASP 76 HA ASP 76 -1.776 -1.679 -11.423 674 HB2 ASP 76 2HB ASP 76 -3.623 -0.443 -12.504 675 HB3 ASP 76 1HB ASP 76 -4.335 -0.085 -10.930 676 H LEU 77 H LEU 77 -4.218 -1.850 -8.893 677 HA LEU 77 HA LEU 77 -2.893 -0.455 -6.844 678 HB2 LEU 77 2HB LEU 77 -5.273 -1.043 -6.715 679 HB3 LEU 77 1HB LEU 77 -4.878 -2.754 -6.677 680 HG LEU 77 HG LEU 77 -3.896 -2.535 -4.444 681 HD11 LEU 77 1HD1 LEU 77 -3.966 -0.444 -3.170 682 HD12 LEU 77 2HD1 LEU 77 -4.548 0.419 -4.597 683 HD13 LEU 77 3HD1 LEU 77 -2.935 -0.300 -4.592 684 HD21 LEU 77 3HD2 LEU 77 -6.628 -1.216 -4.590 685 HD22 LEU 77 1HD2 LEU 77 -5.921 -1.983 -3.163 686 HD23 LEU 77 2HD2 LEU 77 -6.304 -2.951 -4.580 687 H LEU 78 H LEU 78 -2.769 -3.870 -7.818 688 HA LEU 78 HA LEU 78 -1.055 -5.007 -5.929 689 HB2 LEU 78 2HB LEU 78 -2.251 -6.202 -7.773 690 HB3 LEU 78 1HB LEU 78 -1.138 -5.504 -8.927 691 HG LEU 78 HG LEU 78 0.734 -6.765 -7.759 692 HD11 LEU 78 1HD1 LEU 78 -0.309 -7.151 -5.595 693 HD12 LEU 78 2HD1 LEU 78 0.138 -8.682 -6.339 694 HD13 LEU 78 3HD1 LEU 78 -1.550 -8.167 -6.340 695 HD21 LEU 78 3HD2 LEU 78 0.225 -8.894 -8.863 696 HD22 LEU 78 1HD2 LEU 78 -0.250 -7.536 -9.878 697 HD23 LEU 78 2HD2 LEU 78 -1.476 -8.446 -8.990 698 H SER 79 H SER 79 -0.301 -3.093 -8.801 699 HA SER 79 HA SER 79 2.552 -3.276 -8.607 700 HB2 SER 79 2HB SER 79 0.812 -1.333 -10.183 701 HB3 SER 79 1HB SER 79 2.548 -1.567 -10.401 702 HG SER 79 HG SER 79 1.421 -3.954 -10.532 703 H VAL 80 H VAL 80 0.107 -0.883 -7.576 704 HA VAL 80 HA VAL 80 1.855 1.222 -6.864 705 HB VAL 80 HB VAL 80 -0.941 0.574 -5.790 706 HG11 VAL 80 1HG1 VAL 80 0.647 3.162 -5.508 707 HG12 VAL 80 2HG1 VAL 80 0.186 2.062 -4.208 708 HG13 VAL 80 3HG1 VAL 80 -1.055 2.956 -5.082 709 HG21 VAL 80 3HG2 VAL 80 -0.068 2.509 -7.970 710 HG22 VAL 80 1HG2 VAL 80 -1.717 2.290 -7.376 711 HG23 VAL 80 2HG2 VAL 80 -0.900 0.973 -8.208 712 H ILE 81 H ILE 81 0.560 -1.531 -5.030 713 HA ILE 81 HA ILE 81 1.631 -1.074 -2.524 714 HB ILE 81 HB ILE 81 1.539 -3.811 -3.877 715 HG12 ILE 81 2HG1 ILE 81 -0.695 -2.912 -4.025 716 HG13 ILE 81 1HG1 ILE 81 -0.699 -4.073 -2.719 717 HG21 ILE 81 1HG2 ILE 81 2.860 -3.812 -1.828 718 HG22 ILE 81 2HG2 ILE 81 1.349 -4.680 -1.566 719 HG23 ILE 81 3HG2 ILE 81 1.542 -3.041 -0.942 720 HD11 ILE 81 3HD1 ILE 81 -0.595 -2.202 -1.102 721 HD12 ILE 81 1HD1 ILE 81 -2.022 -2.155 -2.135 722 HD13 ILE 81 2HD1 ILE 81 -0.674 -1.065 -2.452 723 H GLU 82 H GLU 82 3.186 -2.635 -5.339 724 HA GLU 82 HA GLU 82 5.713 -3.059 -4.090 725 HB2 GLU 82 2HB GLU 82 4.963 -4.361 -6.093 726 HB3 GLU 82 1HB GLU 82 5.123 -2.910 -7.083 727 HG2 GLU 82 2HG GLU 82 7.535 -2.823 -6.582 728 HG3 GLU 82 1HG GLU 82 7.384 -4.252 -5.564 729 H GLU 83 H GLU 83 4.380 -0.351 -5.968 730 HA GLU 83 HA GLU 83 6.811 1.008 -6.504 731 HB2 GLU 83 2HB GLU 83 4.063 2.273 -6.126 732 HB3 GLU 83 1HB GLU 83 5.449 3.019 -6.910 733 HG2 GLU 83 2HG GLU 83 3.771 0.723 -7.908 734 HG3 GLU 83 1HG GLU 83 3.927 2.331 -8.601 735 H MET 84 H MET 84 4.452 1.299 -3.853 736 HA MET 84 HA MET 84 5.881 3.130 -2.236 737 HB2 MET 84 2HB MET 84 3.912 0.936 -1.413 738 HB3 MET 84 1HB MET 84 4.454 2.247 -0.369 739 HG2 MET 84 2HG MET 84 3.421 3.883 -1.910 740 HG3 MET 84 1HG MET 84 2.852 2.553 -2.916 741 HE1 MET 84 3HE MET 84 1.040 0.680 -1.967 742 HE2 MET 84 1HE MET 84 0.287 0.820 -0.377 743 HE3 MET 84 2HE MET 84 2.000 0.424 -0.508 744 H GLY 85 H GLY 85 5.900 -0.392 -2.536 745 HA2 GLY 85 2HA GLY 85 7.587 -1.082 -0.402 746 HA3 GLY 85 1HA GLY 85 7.327 -2.034 -1.852 747 H LYS 86 H LYS 86 8.386 0.385 -3.436 748 HA LYS 86 HA LYS 86 11.216 -0.323 -3.425 749 HB2 LYS 86 2HB LYS 86 9.706 1.778 -5.054 750 HB3 LYS 86 1HB LYS 86 11.366 1.260 -5.343 751 HG2 LYS 86 2HG LYS 86 10.605 -0.977 -5.968 752 HG3 LYS 86 1HG LYS 86 8.949 -0.549 -5.543 753 HD2 LYS 86 2HD LYS 86 9.050 1.254 -7.340 754 HD3 LYS 86 1HD LYS 86 10.593 0.560 -7.850 755 HE2 LYS 86 2HE LYS 86 7.898 -0.840 -7.825 756 HE3 LYS 86 1HE LYS 86 8.773 -0.278 -9.248 757 HZ1 LYS 86 3HZ LYS 86 9.727 -2.380 -7.386 758 HZ2 LYS 86 1HZ LYS 86 10.488 -1.881 -8.807 759 HZ3 LYS 86 2HZ LYS 86 8.989 -2.666 -8.875 760 H GLU 87 H GLU 87 9.129 2.352 -2.480 761 HA GLU 87 HA GLU 87 11.226 4.291 -2.150 762 HB2 GLU 87 2HB GLU 87 8.349 4.436 -1.169 763 HB3 GLU 87 1HB GLU 87 9.469 5.787 -1.310 764 HG2 GLU 87 2HG GLU 87 8.197 4.191 -3.533 765 HG3 GLU 87 1HG GLU 87 7.978 5.900 -3.166 766 H ILE 88 H ILE 88 10.157 1.780 -0.136 767 HA ILE 88 HA ILE 88 10.133 3.024 2.412 768 HB ILE 88 HB ILE 88 10.655 0.093 1.720 769 HG12 ILE 88 2HG1 ILE 88 8.044 1.472 2.517 770 HG13 ILE 88 1HG1 ILE 88 8.466 0.996 0.878 771 HG21 ILE 88 1HG2 ILE 88 9.944 -0.400 4.054 772 HG22 ILE 88 2HG2 ILE 88 9.876 1.327 4.394 773 HG23 ILE 88 3HG2 ILE 88 11.418 0.567 4.005 774 HD11 ILE 88 3HD1 ILE 88 8.004 -0.842 3.214 775 HD12 ILE 88 1HD1 ILE 88 8.516 -1.352 1.602 776 HD13 ILE 88 2HD1 ILE 88 6.949 -0.581 1.827 777 H ARG 89 H ARG 89 12.728 1.506 0.533 778 HA ARG 89 HA ARG 89 14.642 1.516 2.638 779 HB2 ARG 89 2HB ARG 89 14.941 -0.060 0.799 780 HB3 ARG 89 1HB ARG 89 15.114 1.252 -0.363 781 HG2 ARG 89 2HG ARG 89 17.195 1.975 0.767 782 HG3 ARG 89 1HG ARG 89 17.029 0.658 1.927 783 HD2 ARG 89 2HD ARG 89 17.357 -0.994 0.149 784 HD3 ARG 89 1HD ARG 89 17.386 0.289 -1.071 785 HE ARG 89 HE ARG 89 19.363 0.983 0.690 786 HH11 ARG 89 1HH1 ARG 89 18.777 -1.865 -1.288 787 HH12 ARG 89 2HH1 ARG 89 20.461 -2.240 -1.455 788 HH21 ARG 89 1HH2 ARG 89 21.562 0.507 0.439 789 HH22 ARG 89 2HH2 ARG 89 22.053 -0.887 -0.473 790 HA PRO 90 HA PRO 90 16.472 5.625 0.788 791 HB2 PRO 90 2HB PRO 90 14.810 7.111 -0.906 792 HB3 PRO 90 1HB PRO 90 16.154 6.082 -1.428 793 HG2 PRO 90 2HG PRO 90 13.229 5.498 -1.429 794 HG3 PRO 90 1HG PRO 90 14.481 5.016 -2.592 795 HD2 PRO 90 2HD PRO 90 13.459 3.314 -0.734 796 HD3 PRO 90 1HD PRO 90 15.124 3.189 -1.346 797 H THR 91 H THR 91 12.951 5.479 1.374 798 HA THR 91 HA THR 91 12.642 7.869 2.863 799 HB THR 91 HB THR 91 11.207 5.189 3.126 800 HG1 THR 91 HG1 THR 91 10.153 5.930 1.466 801 HG21 THR 91 3HG2 THR 91 10.412 7.849 4.393 802 HG22 THR 91 1HG2 THR 91 10.903 6.394 5.264 803 HG23 THR 91 2HG2 THR 91 9.401 6.405 4.341 804 H TYR 92 H TYR 92 13.443 4.576 3.928 805 HA TYR 92 HA TYR 92 13.909 5.170 6.663 806 HB2 TYR 92 2HB TYR 92 13.395 2.879 5.868 807 HB3 TYR 92 1HB TYR 92 14.915 2.828 4.974 808 HD1 TYR 92 HD2 TYR 92 13.676 3.480 8.454 809 HD2 TYR 92 HD1 TYR 92 16.738 1.745 6.055 810 HE1 TYR 92 HE2 TYR 92 14.822 2.716 10.458 811 HE2 TYR 92 HE1 TYR 92 17.895 0.980 8.075 812 HH TYR 92 HH TYR 92 16.475 1.319 11.248 813 H ALA 93 H ALA 93 15.857 5.550 3.804 814 HA ALA 93 HA ALA 93 18.398 5.881 5.152 815 HB1 ALA 93 3HB ALA 93 19.234 6.523 2.941 816 HB2 ALA 93 1HB ALA 93 17.582 6.612 2.321 817 HB3 ALA 93 2HB ALA 93 18.253 5.062 2.824 818 H GLY 94 H GLY 94 15.689 7.734 5.185 819 HA2 GLY 94 2HA GLY 94 15.336 9.792 6.132 820 HA3 GLY 94 1HA GLY 94 17.056 10.110 6.068 821 H SER 95 H SER 95 16.039 9.182 2.996 822 HA SER 95 HA SER 95 16.135 11.818 1.919 823 HB2 SER 95 2HB SER 95 15.257 9.218 0.598 824 HB3 SER 95 1HB SER 95 15.730 10.704 -0.234 825 HG SER 95 HG SER 95 17.618 9.888 1.548 826 H LYS 96 H LYS 96 14.525 13.185 2.412 827 HA LYS 96 HA LYS 96 11.828 12.736 2.891 828 HB2 LYS 96 2HB LYS 96 12.866 14.847 3.499 829 HB3 LYS 96 1HB LYS 96 13.238 15.217 1.820 830 HG2 LYS 96 2HG LYS 96 10.822 15.439 1.340 831 HG3 LYS 96 1HG LYS 96 10.456 15.070 3.024 832 HD2 LYS 96 2HD LYS 96 11.477 17.127 3.778 833 HD3 LYS 96 1HD LYS 96 12.149 17.447 2.174 834 HE2 LYS 96 2HE LYS 96 10.132 18.826 2.713 835 HE3 LYS 96 1HE LYS 96 9.948 17.843 1.259 836 HZ1 LYS 96 3HZ LYS 96 7.985 17.834 2.719 837 HZ2 LYS 96 1HZ LYS 96 8.886 17.083 3.938 838 HZ3 LYS 96 2HZ LYS 96 8.601 16.288 2.469 839 H SER 97 H SER 97 13.466 13.062 -0.196 840 HA SER 97 HA SER 97 11.277 13.768 -1.819 841 HB2 SER 97 2HB SER 97 13.835 12.274 -2.545 842 HB3 SER 97 1HB SER 97 12.721 13.003 -3.706 843 HG SER 97 HG SER 97 13.689 14.640 -1.662 844 H ALA 98 H ALA 98 12.747 10.578 -1.140 845 HA ALA 98 HA ALA 98 10.825 9.042 -2.611 846 HB1 ALA 98 3HB ALA 98 12.769 8.158 -0.456 847 HB2 ALA 98 1HB ALA 98 13.100 8.240 -2.188 848 HB3 ALA 98 2HB ALA 98 11.901 7.101 -1.578 849 H MET 99 H MET 99 11.132 10.044 0.777 850 HA MET 99 HA MET 99 9.027 8.547 1.913 851 HB2 MET 99 2HB MET 99 10.750 9.711 3.226 852 HB3 MET 99 1HB MET 99 10.164 11.272 2.675 853 HG2 MET 99 2HG MET 99 8.378 9.425 4.261 854 HG3 MET 99 1HG MET 99 9.548 10.464 5.059 855 HE1 MET 99 3HE MET 99 8.259 14.045 4.050 856 HE2 MET 99 1HE MET 99 9.446 13.091 3.153 857 HE3 MET 99 2HE MET 99 9.494 13.135 4.917 858 H GLU 100 H GLU 100 9.103 11.575 0.178 859 HA GLU 100 HA GLU 100 6.433 12.427 0.608 860 HB2 GLU 100 2HB GLU 100 8.569 13.743 -0.218 861 HB3 GLU 100 1HB GLU 100 8.110 13.167 -1.816 862 HG2 GLU 100 2HG GLU 100 7.286 15.414 -1.464 863 HG3 GLU 100 1HG GLU 100 5.925 14.301 -1.582 864 H ARG 101 H ARG 101 8.078 10.559 -1.875 865 HA ARG 101 HA ARG 101 5.857 10.166 -3.648 866 HB2 ARG 101 2HB ARG 101 8.197 10.025 -4.422 867 HB3 ARG 101 1HB ARG 101 8.499 8.668 -3.344 868 HG2 ARG 101 2HG ARG 101 8.258 7.848 -5.605 869 HG3 ARG 101 1HG ARG 101 6.884 7.298 -4.646 870 HD2 ARG 101 2HD ARG 101 5.511 9.144 -5.635 871 HD3 ARG 101 1HD ARG 101 6.886 9.586 -6.652 872 HE ARG 101 HE ARG 101 6.455 6.909 -7.134 873 HH11 ARG 101 1HH1 ARG 101 4.501 9.823 -7.487 874 HH12 ARG 101 2HH1 ARG 101 3.570 9.182 -8.802 875 HH21 ARG 101 1HH2 ARG 101 5.194 6.073 -8.828 876 HH22 ARG 101 2HH2 ARG 101 3.965 7.052 -9.565 877 H LEU 102 H LEU 102 7.188 8.449 -0.901 878 HA LEU 102 HA LEU 102 5.862 5.973 -1.129 879 HB2 LEU 102 2HB LEU 102 7.868 6.387 0.292 880 HB3 LEU 102 1HB LEU 102 6.915 7.408 1.354 881 HG LEU 102 HG LEU 102 5.651 5.497 2.164 882 HD11 LEU 102 1HD1 LEU 102 6.080 3.198 1.470 883 HD12 LEU 102 2HD1 LEU 102 7.176 3.773 0.211 884 HD13 LEU 102 3HD1 LEU 102 5.459 4.171 0.140 885 HD21 LEU 102 3HD2 LEU 102 7.420 4.218 3.278 886 HD22 LEU 102 1HD2 LEU 102 7.799 5.936 3.258 887 HD23 LEU 102 2HD2 LEU 102 8.614 4.844 2.136 888 H LYS 103 H LYS 103 5.083 8.888 0.796 889 HA LYS 103 HA LYS 103 2.597 8.060 1.848 890 HB2 LYS 103 2HB LYS 103 3.575 10.866 1.224 891 HB3 LYS 103 1HB LYS 103 2.152 10.502 2.197 892 HG2 LYS 103 2HG LYS 103 3.515 9.473 3.921 893 HG3 LYS 103 1HG LYS 103 4.967 9.627 2.927 894 HD2 LYS 103 2HD LYS 103 3.327 11.924 4.066 895 HD3 LYS 103 1HD LYS 103 4.904 11.385 4.648 896 HE2 LYS 103 2HE LYS 103 5.891 11.964 2.445 897 HE3 LYS 103 1HE LYS 103 4.320 12.552 1.905 898 HZ1 LYS 103 3HZ LYS 103 5.931 13.656 4.137 899 HZ2 LYS 103 1HZ LYS 103 4.398 14.211 3.682 900 HZ3 LYS 103 2HZ LYS 103 5.708 14.365 2.617 901 H ARG 104 H ARG 104 3.367 9.882 -1.111 902 HA ARG 104 HA ARG 104 0.763 10.484 -1.979 903 HB2 ARG 104 2HB ARG 104 2.805 11.488 -2.970 904 HB3 ARG 104 1HB ARG 104 3.251 9.934 -3.670 905 HG2 ARG 104 2HG ARG 104 1.273 9.978 -5.107 906 HG3 ARG 104 1HG ARG 104 0.736 11.482 -4.364 907 HD2 ARG 104 2HD ARG 104 2.675 12.670 -5.293 908 HD3 ARG 104 1HD ARG 104 3.311 11.157 -5.959 909 HE ARG 104 HE ARG 104 0.744 11.451 -6.967 910 HH11 ARG 104 1HH1 ARG 104 3.735 13.287 -7.235 911 HH12 ARG 104 2HH1 ARG 104 3.349 13.899 -8.811 912 HH21 ARG 104 1HH2 ARG 104 0.299 12.198 -9.062 913 HH22 ARG 104 2HH2 ARG 104 1.407 13.281 -9.847 914 H GLY 105 H GLY 105 2.691 7.571 -2.293 915 HA2 GLY 105 2HA GLY 105 1.156 6.099 -4.124 916 HA3 GLY 105 1HA GLY 105 2.218 5.434 -2.891 917 H ILE 106 H ILE 106 0.870 6.451 -0.598 918 HA ILE 106 HA ILE 106 -1.203 4.531 -0.242 919 HB ILE 106 HB ILE 106 -0.128 6.785 1.469 920 HG12 ILE 106 2HG1 ILE 106 0.116 4.750 3.092 921 HG13 ILE 106 1HG1 ILE 106 -0.258 3.752 1.704 922 HG21 ILE 106 1HG2 ILE 106 -2.623 5.231 2.259 923 HG22 ILE 106 2HG2 ILE 106 -2.540 6.956 1.901 924 HG23 ILE 106 3HG2 ILE 106 -1.703 6.306 3.310 925 HD11 ILE 106 3HD1 ILE 106 1.723 4.631 0.562 926 HD12 ILE 106 1HD1 ILE 106 2.119 3.874 2.105 927 HD13 ILE 106 2HD1 ILE 106 2.079 5.632 1.972 928 H ILE 107 H ILE 107 -1.271 8.029 -0.926 929 HA ILE 107 HA ILE 107 -4.073 8.406 -0.653 930 HB ILE 107 HB ILE 107 -1.909 9.948 -2.127 931 HG12 ILE 107 2HG1 ILE 107 -2.439 11.737 -0.495 932 HG13 ILE 107 1HG1 ILE 107 -3.735 10.766 0.191 933 HG21 ILE 107 1HG2 ILE 107 -4.859 10.679 -2.181 934 HG22 ILE 107 2HG2 ILE 107 -3.863 10.220 -3.564 935 HG23 ILE 107 3HG2 ILE 107 -3.541 11.728 -2.710 936 HD11 ILE 107 3HD1 ILE 107 -1.773 10.777 1.606 937 HD12 ILE 107 1HD1 ILE 107 -0.785 10.153 0.282 938 HD13 ILE 107 2HD1 ILE 107 -2.063 9.151 0.985 939 H HIS 108 H HIS 108 -2.052 7.398 -3.381 940 HA HIS 108 HA HIS 108 -4.165 7.278 -5.321 941 HB2 HIS 108 2HB HIS 108 -1.800 7.578 -5.991 942 HB3 HIS 108 1HB HIS 108 -1.403 5.991 -5.343 943 HD1 HIS 108 HD1 HIS 108 -0.689 4.922 -7.525 944 HD2 HIS 108 HD2 HIS 108 -4.481 6.597 -7.757 945 HE1 HIS 108 HE1 HIS 108 -1.623 4.159 -9.724 946 HE2 HIS 108 HE2 HIS 108 -3.968 5.072 -9.777 947 H ALA 109 H ALA 109 -2.564 4.899 -3.238 948 HA ALA 109 HA ALA 109 -3.720 2.551 -4.349 949 HB1 ALA 109 3HB ALA 109 -2.533 2.988 -1.587 950 HB2 ALA 109 1HB ALA 109 -1.643 2.519 -3.034 951 HB3 ALA 109 2HB ALA 109 -2.835 1.421 -2.343 952 H ARG 110 H ARG 110 -4.536 4.557 -1.587 953 HA ARG 110 HA ARG 110 -6.728 3.109 -0.518 954 HB2 ARG 110 2HB ARG 110 -5.485 4.812 0.770 955 HB3 ARG 110 1HB ARG 110 -5.974 6.074 -0.341 956 HG2 ARG 110 2HG ARG 110 -8.072 4.570 1.220 957 HG3 ARG 110 1HG ARG 110 -7.129 5.825 2.006 958 HD2 ARG 110 2HD ARG 110 -8.869 6.200 -0.453 959 HD3 ARG 110 1HD ARG 110 -9.258 6.702 1.191 960 HE ARG 110 HE ARG 110 -6.942 7.994 0.780 961 HH11 ARG 110 1HH1 ARG 110 -9.864 7.843 -1.186 962 HH12 ARG 110 2HH1 ARG 110 -9.646 9.421 -1.871 963 HH21 ARG 110 1HH2 ARG 110 -6.661 10.087 -0.099 964 HH22 ARG 110 2HH2 ARG 110 -7.806 10.710 -1.247 965 H ALA 111 H ALA 111 -6.409 5.610 -2.995 966 HA ALA 111 HA ALA 111 -9.173 6.171 -3.373 967 HB1 ALA 111 3HB ALA 111 -7.394 7.701 -4.106 968 HB2 ALA 111 1HB ALA 111 -8.455 7.272 -5.448 969 HB3 ALA 111 2HB ALA 111 -6.860 6.526 -5.308 970 H LEU 112 H LEU 112 -6.912 3.883 -4.844 971 HA LEU 112 HA LEU 112 -8.570 2.914 -6.934 972 HB2 LEU 112 2HB LEU 112 -6.195 1.620 -5.542 973 HB3 LEU 112 1HB LEU 112 -6.956 0.972 -6.990 974 HG LEU 112 HG LEU 112 -5.630 3.709 -6.841 975 HD11 LEU 112 1HD1 LEU 112 -4.523 1.138 -8.010 976 HD12 LEU 112 2HD1 LEU 112 -3.959 1.952 -6.549 977 HD13 LEU 112 3HD1 LEU 112 -3.776 2.736 -8.114 978 HD21 LEU 112 3HD2 LEU 112 -6.673 2.160 -9.242 979 HD22 LEU 112 1HD2 LEU 112 -5.783 3.687 -9.307 980 HD23 LEU 112 2HD2 LEU 112 -7.375 3.627 -8.556 981 H VAL 113 H VAL 113 -8.062 1.829 -3.589 982 HA VAL 113 HA VAL 113 -9.775 -0.438 -3.713 983 HB VAL 113 HB VAL 113 -9.201 1.243 -1.232 984 HG11 VAL 113 1HG1 VAL 113 -10.173 -1.622 -1.537 985 HG12 VAL 113 2HG1 VAL 113 -11.070 -0.257 -0.871 986 HG13 VAL 113 3HG1 VAL 113 -9.670 -0.895 -0.013 987 HG21 VAL 113 3HG2 VAL 113 -7.619 -1.144 -2.257 988 HG22 VAL 113 1HG2 VAL 113 -7.357 -0.301 -0.727 989 HG23 VAL 113 2HG2 VAL 113 -7.079 0.536 -2.253 990 H ARG 114 H ARG 114 -10.282 2.906 -2.648 991 HA ARG 114 HA ARG 114 -12.894 2.850 -1.722 992 HB2 ARG 114 2HB ARG 114 -11.569 4.758 -1.232 993 HB3 ARG 114 1HB ARG 114 -11.164 5.044 -2.911 994 HG2 ARG 114 2HG ARG 114 -14.052 5.343 -2.157 995 HG3 ARG 114 1HG ARG 114 -12.946 6.559 -1.535 996 HD2 ARG 114 2HD ARG 114 -12.260 7.168 -3.780 997 HD3 ARG 114 1HD ARG 114 -13.176 5.831 -4.474 998 HE ARG 114 HE ARG 114 -15.036 7.347 -3.138 999 HH11 ARG 114 1HH1 ARG 114 -12.758 7.968 -5.754 1000 HH12 ARG 114 2HH1 ARG 114 -13.748 9.188 -6.489 1001 HH21 ARG 114 1HH2 ARG 114 -16.334 8.916 -4.151 1002 HH22 ARG 114 2HH2 ARG 114 -15.767 9.718 -5.578 1003 H GLU 115 H GLU 115 -11.797 3.677 -5.001 1004 HA GLU 115 HA GLU 115 -14.401 4.157 -6.044 1005 HB2 GLU 115 2HB GLU 115 -13.294 4.324 -8.235 1006 HB3 GLU 115 1HB GLU 115 -12.401 5.209 -7.005 1007 HG2 GLU 115 2HG GLU 115 -10.805 3.300 -6.834 1008 HG3 GLU 115 1HG GLU 115 -11.667 2.491 -8.137 1009 H CYS 116 H CYS 116 -12.294 1.298 -6.024 1010 HA CYS 116 HA CYS 116 -13.949 -0.160 -7.888 1011 HB2 CYS 116 2HB CYS 116 -11.649 -1.106 -6.147 1012 HB3 CYS 116 1HB CYS 116 -12.478 -2.117 -7.328 1013 HG CYS 116 HG CYS 116 -10.563 0.644 -7.963 1014 H LEU 117 H LEU 117 -13.999 0.274 -4.413 1015 HA LEU 117 HA LEU 117 -15.438 -1.929 -3.493 1016 HB2 LEU 117 2HB LEU 117 -15.616 1.005 -2.725 1017 HB3 LEU 117 1HB LEU 117 -16.582 -0.204 -1.897 1018 HG LEU 117 HG LEU 117 -13.536 -0.264 -1.976 1019 HD11 LEU 117 1HD1 LEU 117 -13.580 0.629 0.316 1020 HD12 LEU 117 2HD1 LEU 117 -15.334 0.811 0.228 1021 HD13 LEU 117 3HD1 LEU 117 -14.291 1.770 -0.823 1022 HD21 LEU 117 3HD2 LEU 117 -14.568 -2.457 -1.566 1023 HD22 LEU 117 1HD2 LEU 117 -15.519 -1.785 -0.238 1024 HD23 LEU 117 2HD2 LEU 117 -13.759 -1.870 -0.117 1025 H ALA 118 H ALA 118 -16.568 0.863 -5.302 1026 HA ALA 118 HA ALA 118 -19.334 0.581 -5.120 1027 HB1 ALA 118 3HB ALA 118 -18.219 2.588 -6.013 1028 HB2 ALA 118 1HB ALA 118 -19.429 1.979 -7.145 1029 HB3 ALA 118 2HB ALA 118 -17.715 1.684 -7.441 1030 H GLU 119 H GLU 119 -17.261 -0.502 -7.879 1031 HA GLU 119 HA GLU 119 -19.329 -2.089 -9.064 1032 HB2 GLU 119 2HB GLU 119 -17.605 -2.634 -10.738 1033 HB3 GLU 119 1HB GLU 119 -17.651 -0.910 -10.393 1034 HG2 GLU 119 2HG GLU 119 -15.681 -1.325 -8.783 1035 HG3 GLU 119 1HG GLU 119 -15.583 -2.928 -9.513 1036 H THR 120 H THR 120 -16.833 -2.810 -6.740 1037 HA THR 120 HA THR 120 -16.732 -5.659 -7.134 1038 HB THR 120 HB THR 120 -15.887 -3.956 -4.738 1039 HG1 THR 120 HG1 THR 120 -14.755 -3.837 -6.876 1040 HG21 THR 120 3HG2 THR 120 -14.563 -5.909 -3.972 1041 HG22 THR 120 1HG2 THR 120 -15.260 -6.900 -5.256 1042 HG23 THR 120 2HG2 THR 120 -16.285 -6.278 -3.961 1043 H GLU 121 H GLU 121 -18.793 -3.440 -5.384 1044 HA GLU 121 HA GLU 121 -20.271 -5.331 -3.835 1045 HB2 GLU 121 2HB GLU 121 -20.248 -2.794 -3.518 1046 HB3 GLU 121 1HB GLU 121 -21.283 -2.666 -4.934 1047 HG2 GLU 121 2HG GLU 121 -23.001 -4.035 -3.779 1048 HG3 GLU 121 1HG GLU 121 -21.966 -4.122 -2.358 1049 H ARG 122 H ARG 122 -20.309 -4.402 -7.225 1050 HA ARG 122 HA ARG 122 -22.922 -5.611 -7.761 1051 HB2 ARG 122 2HB ARG 122 -20.985 -4.231 -9.673 1052 HB3 ARG 122 1HB ARG 122 -22.654 -4.674 -10.013 1053 HG2 ARG 122 2HG ARG 122 -21.653 -2.518 -8.143 1054 HG3 ARG 122 1HG ARG 122 -22.603 -2.317 -9.616 1055 HD2 ARG 122 2HD ARG 122 -23.548 -3.537 -6.995 1056 HD3 ARG 122 1HD ARG 122 -24.030 -1.980 -7.673 1057 HE ARG 122 HE ARG 122 -24.684 -3.903 -9.573 1058 HH11 ARG 122 1HH1 ARG 122 -25.686 -3.139 -6.281 1059 HH12 ARG 122 2HH1 ARG 122 -27.278 -3.793 -6.483 1060 HH21 ARG 122 1HH2 ARG 122 -26.783 -4.775 -9.815 1061 HH22 ARG 122 2HH2 ARG 122 -27.900 -4.721 -8.488 1062 H ASN 123 H ASN 123 -19.524 -6.260 -7.993 1063 HA ASN 123 HA ASN 123 -19.384 -8.325 -9.887 1064 HB2 ASN 123 2HB ASN 123 -17.356 -7.280 -9.061 1065 HB3 ASN 123 1HB ASN 123 -17.718 -7.719 -7.399 1066 HD21 ASN 123 1HD2 ASN 123 -15.706 -8.729 -7.157 1067 HD22 ASN 123 2HD2 ASN 123 -15.327 -10.243 -7.897 1068 H ALA 124 H ALA 124 -19.917 -10.475 -9.797 1069 HA ALA 124 HA ALA 124 -21.208 -11.620 -7.471 1070 HB1 ALA 124 3HB ALA 124 -21.958 -12.245 -9.720 1071 HB2 ALA 124 1HB ALA 124 -21.357 -13.664 -8.864 1072 HB3 ALA 124 2HB ALA 124 -20.365 -12.897 -10.105 1073 H ARG 125 H ARG 125 -19.769 -11.768 -5.769 1074 HA ARG 125 HA ARG 125 -17.417 -13.530 -6.113 1075 HB2 ARG 125 2HB ARG 125 -16.046 -12.227 -4.623 1076 HB3 ARG 125 1HB ARG 125 -16.641 -11.155 -5.875 1077 HG2 ARG 125 2HG ARG 125 -17.808 -11.285 -3.071 1078 HG3 ARG 125 1HG ARG 125 -16.544 -10.158 -3.547 1079 HD2 ARG 125 2HD ARG 125 -18.026 -9.026 -5.066 1080 HD3 ARG 125 1HD ARG 125 -19.260 -10.276 -4.886 1081 HE ARG 125 HE ARG 125 -18.620 -8.997 -2.391 1082 HH11 ARG 125 1HH1 ARG 125 -20.600 -8.705 -5.281 1083 HH12 ARG 125 2HH1 ARG 125 -21.779 -7.684 -4.526 1084 HH21 ARG 125 1HH2 ARG 125 -20.177 -7.616 -1.429 1085 HH22 ARG 125 2HH2 ARG 125 -21.545 -7.074 -2.356 1086 H THR 126 H THR 126 -17.676 -15.303 -5.011 1087 HA THR 126 HA THR 126 -18.941 -15.373 -2.348 1088 HB THR 126 HB THR 126 -20.088 -17.596 -3.095 1089 HG1 THR 126 HG1 THR 126 -19.418 -16.444 -5.594 1090 HG21 THR 126 3HG2 THR 126 -22.098 -16.460 -3.984 1091 HG22 THR 126 1HG2 THR 126 -21.153 -14.984 -4.236 1092 HG23 THR 126 2HG2 THR 126 -21.428 -15.593 -2.604 Start of MODEL 10 1 H1 SER 58 1H SER 58 -39.212 11.020 -9.225 2 H2 SER 58 2H SER 58 -38.848 12.599 -9.689 3 H3 SER 58 3H SER 58 -40.070 11.744 -10.485 4 HA SER 58 HA SER 58 -41.019 13.331 -9.014 5 HB2 SER 58 2HB SER 58 -42.432 11.720 -7.647 6 HB3 SER 58 1HB SER 58 -42.307 11.309 -9.358 7 HG SER 58 HG SER 58 -41.339 9.515 -8.840 8 H HIS 59 H HIS 59 -40.558 11.140 -6.296 9 HA HIS 59 HA HIS 59 -38.578 12.879 -4.977 10 HB2 HIS 59 2HB HIS 59 -41.371 12.349 -3.830 11 HB3 HIS 59 1HB HIS 59 -40.041 13.078 -2.926 12 HD1 HIS 59 HD1 HIS 59 -42.805 13.894 -5.167 13 HD2 HIS 59 HD2 HIS 59 -39.271 15.702 -3.960 14 HE1 HIS 59 HE1 HIS 59 -43.033 16.303 -5.825 15 HE2 HIS 59 HE2 HIS 59 -40.770 17.285 -5.336 16 H MET 60 H MET 60 -39.118 9.928 -5.912 17 HA MET 60 HA MET 60 -38.919 8.327 -3.528 18 HB2 MET 60 2HB MET 60 -38.420 7.632 -6.455 19 HB3 MET 60 1HB MET 60 -38.410 6.457 -5.143 20 HG2 MET 60 2HG MET 60 -40.788 8.129 -5.979 21 HG3 MET 60 1HG MET 60 -40.522 6.429 -6.374 22 HE1 MET 60 3HE MET 60 -43.414 6.135 -3.752 23 HE2 MET 60 1HE MET 60 -42.859 5.697 -5.366 24 HE3 MET 60 2HE MET 60 -43.237 7.379 -4.990 25 H ALA 61 H ALA 61 -37.150 8.826 -2.301 26 HA ALA 61 HA ALA 61 -34.496 9.239 -3.374 27 HB1 ALA 61 3HB ALA 61 -35.210 10.410 -1.329 28 HB2 ALA 61 1HB ALA 61 -33.800 9.400 -1.014 29 HB3 ALA 61 2HB ALA 61 -35.403 8.870 -0.492 30 H MET 62 H MET 62 -34.207 7.342 -4.561 31 HA MET 62 HA MET 62 -34.413 4.689 -3.564 32 HB2 MET 62 2HB MET 62 -32.811 5.747 -5.940 33 HB3 MET 62 1HB MET 62 -33.138 4.049 -5.623 34 HG2 MET 62 2HG MET 62 -35.564 4.499 -5.887 35 HG3 MET 62 1HG MET 62 -35.181 6.175 -6.276 36 HE1 MET 62 3HE MET 62 -33.159 5.719 -9.664 37 HE2 MET 62 1HE MET 62 -32.492 5.814 -8.031 38 HE3 MET 62 2HE MET 62 -33.797 6.898 -8.522 39 H LYS 63 H LYS 63 -33.256 4.174 -1.807 40 HA LYS 63 HA LYS 63 -30.298 4.361 -1.933 41 HB2 LYS 63 2HB LYS 63 -32.030 4.510 0.582 42 HB3 LYS 63 1HB LYS 63 -30.271 4.530 0.545 43 HG2 LYS 63 2HG LYS 63 -32.074 6.654 -0.645 44 HG3 LYS 63 1HG LYS 63 -31.247 6.783 0.902 45 HD2 LYS 63 2HD LYS 63 -29.736 6.411 -1.716 46 HD3 LYS 63 1HD LYS 63 -30.191 8.003 -1.116 47 HE2 LYS 63 2HE LYS 63 -27.917 7.629 -0.442 48 HE3 LYS 63 1HE LYS 63 -28.908 7.468 1.006 49 HZ1 LYS 63 3HZ LYS 63 -27.882 5.193 -0.611 50 HZ2 LYS 63 1HZ LYS 63 -28.765 5.081 0.822 51 HZ3 LYS 63 2HZ LYS 63 -27.213 5.735 0.840 52 HA PRO 64 HA PRO 64 -31.785 -0.085 -2.019 53 HB2 PRO 64 2HB PRO 64 -29.408 -0.456 -3.802 54 HB3 PRO 64 1HB PRO 64 -31.109 -0.882 -4.081 55 HG2 PRO 64 2HG PRO 64 -29.980 1.158 -5.390 56 HG3 PRO 64 1HG PRO 64 -31.672 1.240 -4.845 57 HD2 PRO 64 2HD PRO 64 -29.221 2.450 -3.561 58 HD3 PRO 64 1HD PRO 64 -30.815 3.179 -3.869 59 HA PRO 65 HA PRO 65 -28.610 -1.170 1.100 60 HB2 PRO 65 2HB PRO 65 -29.926 -3.277 2.222 61 HB3 PRO 65 1HB PRO 65 -30.448 -1.603 2.504 62 HG2 PRO 65 2HG PRO 65 -31.564 -3.633 0.598 63 HG3 PRO 65 1HG PRO 65 -32.426 -2.524 1.689 64 HD2 PRO 65 2HD PRO 65 -32.073 -2.019 -0.984 65 HD3 PRO 65 1HD PRO 65 -32.232 -0.735 0.237 66 H GLY 66 H GLY 66 -26.877 -2.542 0.989 67 HA2 GLY 66 2HA GLY 66 -26.661 -4.427 -1.215 68 HA3 GLY 66 1HA GLY 66 -25.381 -3.918 -0.124 69 H ALA 67 H ALA 67 -25.201 -6.410 -0.605 70 HA ALA 67 HA ALA 67 -26.796 -8.118 1.127 71 HB1 ALA 67 3HB ALA 67 -25.472 -9.966 0.166 72 HB2 ALA 67 1HB ALA 67 -24.419 -8.813 -0.660 73 HB3 ALA 67 2HB ALA 67 -26.123 -8.938 -1.107 74 H GLN 68 H GLN 68 -25.862 -9.478 2.760 75 HA GLN 68 HA GLN 68 -23.874 -8.127 4.415 76 HB2 GLN 68 2HB GLN 68 -26.012 -9.035 5.372 77 HB3 GLN 68 1HB GLN 68 -25.497 -10.665 4.949 78 HG2 GLN 68 2HG GLN 68 -23.580 -10.459 6.491 79 HG3 GLN 68 1HG GLN 68 -24.090 -8.825 6.911 80 HE21 GLN 68 1HE2 GLN 68 -23.773 -11.167 8.639 81 HE22 GLN 68 2HE2 GLN 68 -25.306 -11.429 9.391 82 H GLY 69 H GLY 69 -21.791 -8.805 4.705 83 HA2 GLY 69 2HA GLY 69 -19.914 -10.202 4.660 84 HA3 GLY 69 1HA GLY 69 -20.851 -11.444 3.837 85 H SER 70 H SER 70 -20.925 -8.177 2.667 86 HA SER 70 HA SER 70 -19.505 -8.958 0.202 87 HB2 SER 70 2HB SER 70 -21.231 -6.523 0.847 88 HB3 SER 70 1HB SER 70 -20.580 -6.946 -0.744 89 HG SER 70 HG SER 70 -22.532 -8.265 0.789 90 H GLN 71 H GLN 71 -17.630 -7.960 -0.435 91 HA GLN 71 HA GLN 71 -15.606 -6.954 -0.269 92 HB2 GLN 71 2HB GLN 71 -15.625 -4.547 -0.401 93 HB3 GLN 71 1HB GLN 71 -17.038 -5.163 -1.241 94 HG2 GLN 71 2HG GLN 71 -18.489 -4.497 0.617 95 HG3 GLN 71 1HG GLN 71 -17.086 -4.021 1.572 96 HE21 GLN 71 1HE2 GLN 71 -17.884 -1.894 1.823 97 HE22 GLN 71 2HE2 GLN 71 -17.876 -0.760 0.520 98 H SER 72 H SER 72 -16.211 -8.209 2.270 99 HA SER 72 HA SER 72 -15.855 -6.234 4.397 100 HB2 SER 72 2HB SER 72 -16.159 -9.256 4.621 101 HB3 SER 72 1HB SER 72 -16.288 -8.088 5.939 102 HG SER 72 HG SER 72 -17.935 -7.493 3.843 103 H THR 73 H THR 73 -14.145 -9.173 3.223 104 HA THR 73 HA THR 73 -11.776 -8.745 4.781 105 HB THR 73 HB THR 73 -12.499 -11.015 4.029 106 HG1 THR 73 HG1 THR 73 -9.949 -10.134 3.091 107 HG21 THR 73 3HG2 THR 73 -13.328 -10.464 1.753 108 HG22 THR 73 1HG2 THR 73 -12.126 -11.755 1.707 109 HG23 THR 73 2HG2 THR 73 -11.676 -10.115 1.239 110 H TYR 74 H TYR 74 -13.034 -7.579 1.826 111 HA TYR 74 HA TYR 74 -10.590 -6.816 0.542 112 HB2 TYR 74 2HB TYR 74 -12.793 -7.288 -0.625 113 HB3 TYR 74 1HB TYR 74 -13.420 -5.789 0.050 114 HD1 TYR 74 HD1 TYR 74 -11.019 -7.232 -2.360 115 HD2 TYR 74 HD2 TYR 74 -12.749 -3.632 -0.882 116 HE1 TYR 74 HE1 TYR 74 -10.078 -5.999 -4.250 117 HE2 TYR 74 HE2 TYR 74 -11.809 -2.393 -2.781 118 HH TYR 74 HH TYR 74 -10.575 -3.853 -5.487 119 H THR 75 H THR 75 -12.861 -5.294 2.801 120 HA THR 75 HA THR 75 -11.798 -2.647 2.679 121 HB THR 75 HB THR 75 -13.388 -4.002 4.905 122 HG1 THR 75 HG1 THR 75 -14.150 -3.503 2.510 123 HG21 THR 75 3HG2 THR 75 -12.344 -1.948 5.777 124 HG22 THR 75 1HG2 THR 75 -14.075 -1.695 5.554 125 HG23 THR 75 2HG2 THR 75 -12.929 -1.034 4.384 126 H ASP 76 H ASP 76 -10.780 -5.588 4.320 127 HA ASP 76 HA ASP 76 -8.909 -4.523 6.123 128 HB2 ASP 76 2HB ASP 76 -8.820 -7.129 4.541 129 HB3 ASP 76 1HB ASP 76 -7.616 -6.707 5.750 130 H LEU 77 H LEU 77 -8.669 -5.205 2.648 131 HA LEU 77 HA LEU 77 -5.948 -4.584 2.249 132 HB2 LEU 77 2HB LEU 77 -7.222 -5.749 0.539 133 HB3 LEU 77 1HB LEU 77 -8.343 -4.408 0.380 134 HG LEU 77 HG LEU 77 -6.588 -3.022 -0.663 135 HD11 LEU 77 1HD1 LEU 77 -4.752 -5.418 -0.401 136 HD12 LEU 77 2HD1 LEU 77 -4.606 -3.888 0.467 137 HD13 LEU 77 3HD1 LEU 77 -4.402 -3.928 -1.281 138 HD21 LEU 77 3HD2 LEU 77 -8.003 -4.377 -2.122 139 HD22 LEU 77 1HD2 LEU 77 -6.885 -5.739 -1.988 140 HD23 LEU 77 2HD2 LEU 77 -6.379 -4.250 -2.793 141 H LEU 78 H LEU 78 -8.853 -2.528 1.978 142 HA LEU 78 HA LEU 78 -7.683 -0.049 1.370 143 HB2 LEU 78 2HB LEU 78 -10.134 -0.582 1.302 144 HB3 LEU 78 1HB LEU 78 -10.162 -0.614 3.055 145 HG LEU 78 HG LEU 78 -9.548 1.829 3.063 146 HD11 LEU 78 1HD1 LEU 78 -9.952 1.655 0.059 147 HD12 LEU 78 2HD1 LEU 78 -8.438 2.005 0.897 148 HD13 LEU 78 3HD1 LEU 78 -9.777 3.145 0.990 149 HD21 LEU 78 3HD2 LEU 78 -12.092 1.131 1.561 150 HD22 LEU 78 1HD2 LEU 78 -11.784 2.637 2.430 151 HD23 LEU 78 2HD2 LEU 78 -11.881 1.115 3.313 152 H SER 79 H SER 79 -8.248 -1.671 4.436 153 HA SER 79 HA SER 79 -7.483 0.420 6.186 154 HB2 SER 79 2HB SER 79 -8.958 -1.542 6.793 155 HB3 SER 79 1HB SER 79 -7.522 -2.570 6.817 156 HG SER 79 HG SER 79 -8.131 -0.325 8.435 157 H VAL 80 H VAL 80 -5.723 -2.279 4.711 158 HA VAL 80 HA VAL 80 -3.315 -2.107 6.182 159 HB VAL 80 HB VAL 80 -3.830 -3.174 3.354 160 HG11 VAL 80 1HG1 VAL 80 -1.465 -2.569 3.471 161 HG12 VAL 80 2HG1 VAL 80 -1.616 -4.322 3.537 162 HG13 VAL 80 3HG1 VAL 80 -1.280 -3.411 5.012 163 HG21 VAL 80 3HG2 VAL 80 -3.659 -5.389 4.432 164 HG22 VAL 80 1HG2 VAL 80 -4.947 -4.429 5.146 165 HG23 VAL 80 2HG2 VAL 80 -3.422 -4.619 6.002 166 H ILE 81 H ILE 81 -4.405 -0.547 3.182 167 HA ILE 81 HA ILE 81 -2.092 0.856 2.511 168 HB ILE 81 HB ILE 81 -4.916 1.948 2.155 169 HG12 ILE 81 2HG1 ILE 81 -4.945 -0.298 1.234 170 HG13 ILE 81 1HG1 ILE 81 -4.900 0.835 -0.102 171 HG21 ILE 81 1HG2 ILE 81 -3.949 3.079 0.176 172 HG22 ILE 81 2HG2 ILE 81 -2.360 2.434 0.590 173 HG23 ILE 81 3HG2 ILE 81 -3.159 3.571 1.676 174 HD11 ILE 81 3HD1 ILE 81 -3.508 -1.066 -0.575 175 HD12 ILE 81 1HD1 ILE 81 -2.600 -0.840 0.918 176 HD13 ILE 81 2HD1 ILE 81 -2.481 0.352 -0.378 177 H GLU 82 H GLU 82 -4.736 1.730 4.696 178 HA GLU 82 HA GLU 82 -3.784 4.323 5.383 179 HB2 GLU 82 2HB GLU 82 -6.150 3.678 5.567 180 HB3 GLU 82 1HB GLU 82 -5.756 2.448 6.760 181 HG2 GLU 82 2HG GLU 82 -6.789 4.419 7.789 182 HG3 GLU 82 1HG GLU 82 -5.151 4.156 8.380 183 H GLU 83 H GLU 83 -3.274 1.092 6.776 184 HA GLU 83 HA GLU 83 -2.026 1.793 9.219 185 HB2 GLU 83 2HB GLU 83 -1.670 -0.673 7.459 186 HB3 GLU 83 1HB GLU 83 -0.940 -0.511 9.053 187 HG2 GLU 83 2HG GLU 83 -3.190 -0.348 10.061 188 HG3 GLU 83 1HG GLU 83 -3.907 -0.539 8.460 189 H MET 84 H MET 84 -0.717 1.170 5.982 190 HA MET 84 HA MET 84 2.022 1.407 6.651 191 HB2 MET 84 2HB MET 84 0.603 1.636 3.959 192 HB3 MET 84 1HB MET 84 2.353 1.549 4.158 193 HG2 MET 84 2HG MET 84 2.117 -0.663 5.228 194 HG3 MET 84 1HG MET 84 0.373 -0.575 4.999 195 HE1 MET 84 3HE MET 84 0.138 -0.722 1.044 196 HE2 MET 84 1HE MET 84 0.224 0.749 2.010 197 HE3 MET 84 2HE MET 84 -0.791 -0.596 2.535 198 H GLY 85 H GLY 85 -0.407 3.741 5.545 199 HA2 GLY 85 2HA GLY 85 1.215 5.972 5.049 200 HA3 GLY 85 1HA GLY 85 -0.455 6.031 5.578 201 H LYS 86 H LYS 86 0.324 4.526 8.066 202 HA LYS 86 HA LYS 86 1.040 6.828 9.720 203 HB2 LYS 86 2HB LYS 86 0.342 3.990 10.580 204 HB3 LYS 86 1HB LYS 86 0.365 5.425 11.602 205 HG2 LYS 86 2HG LYS 86 -1.523 6.365 10.278 206 HG3 LYS 86 1HG LYS 86 -1.551 4.887 9.315 207 HD2 LYS 86 2HD LYS 86 -1.966 3.609 11.482 208 HD3 LYS 86 1HD LYS 86 -2.186 5.171 12.275 209 HE2 LYS 86 2HE LYS 86 -3.847 4.041 10.000 210 HE3 LYS 86 1HE LYS 86 -4.354 4.237 11.677 211 HZ1 LYS 86 3HZ LYS 86 -4.009 6.671 11.355 212 HZ2 LYS 86 1HZ LYS 86 -5.257 6.012 10.424 213 HZ3 LYS 86 2HZ LYS 86 -3.776 6.372 9.706 214 H GLU 87 H GLU 87 2.500 3.939 8.454 215 HA GLU 87 HA GLU 87 4.646 3.803 10.399 216 HB2 GLU 87 2HB GLU 87 4.257 2.289 7.788 217 HB3 GLU 87 1HB GLU 87 5.517 1.959 8.973 218 HG2 GLU 87 2HG GLU 87 2.536 1.609 9.317 219 HG3 GLU 87 1HG GLU 87 3.761 0.340 9.258 220 H ILE 88 H ILE 88 4.146 5.528 7.473 221 HA ILE 88 HA ILE 88 6.736 5.494 6.356 222 HB ILE 88 HB ILE 88 4.585 7.648 6.074 223 HG12 ILE 88 2HG1 ILE 88 5.162 5.264 4.253 224 HG13 ILE 88 1HG1 ILE 88 3.889 5.291 5.462 225 HG21 ILE 88 1HG2 ILE 88 5.710 8.216 3.927 226 HG22 ILE 88 2HG2 ILE 88 6.999 7.074 4.305 227 HG23 ILE 88 3HG2 ILE 88 6.761 8.499 5.316 228 HD11 ILE 88 3HD1 ILE 88 2.983 5.725 3.303 229 HD12 ILE 88 1HD1 ILE 88 4.095 7.070 3.053 230 HD13 ILE 88 2HD1 ILE 88 2.843 7.171 4.295 231 H ARG 89 H ARG 89 5.229 7.786 8.679 232 HA ARG 89 HA ARG 89 7.375 9.628 8.667 233 HB2 ARG 89 2HB ARG 89 5.145 10.328 9.431 234 HB3 ARG 89 1HB ARG 89 5.253 9.251 10.822 235 HG2 ARG 89 2HG ARG 89 7.208 10.567 11.651 236 HG3 ARG 89 1HG ARG 89 7.028 11.649 10.274 237 HD2 ARG 89 2HD ARG 89 4.778 12.297 11.097 238 HD3 ARG 89 1HD ARG 89 5.007 11.249 12.505 239 HE ARG 89 HE ARG 89 6.587 13.670 11.875 240 HH11 ARG 89 1HH1 ARG 89 5.395 11.413 14.294 241 HH12 ARG 89 2HH1 ARG 89 6.027 12.327 15.627 242 HH21 ARG 89 1HH2 ARG 89 7.428 14.846 13.624 243 HH22 ARG 89 2HH2 ARG 89 7.183 14.276 15.245 244 HA PRO 90 HA PRO 90 9.048 7.502 12.729 245 HB2 PRO 90 2HB PRO 90 8.337 4.829 13.119 246 HB3 PRO 90 1HB PRO 90 7.580 6.207 13.936 247 HG2 PRO 90 2HG PRO 90 6.625 4.697 11.533 248 HG3 PRO 90 1HG PRO 90 5.696 5.314 12.918 249 HD2 PRO 90 2HD PRO 90 5.715 6.590 10.549 250 HD3 PRO 90 1HD PRO 90 5.645 7.485 12.085 251 H THR 91 H THR 91 8.432 5.339 9.925 252 HA THR 91 HA THR 91 10.906 4.001 9.791 253 HB THR 91 HB THR 91 9.031 4.897 7.555 254 HG1 THR 91 HG1 THR 91 7.995 3.153 8.095 255 HG21 THR 91 3HG2 THR 91 10.132 3.212 6.091 256 HG22 THR 91 1HG2 THR 91 11.363 2.948 7.325 257 HG23 THR 91 2HG2 THR 91 11.240 4.516 6.522 258 H TYR 92 H TYR 92 9.914 7.061 8.297 259 HA TYR 92 HA TYR 92 12.370 7.795 7.139 260 HB2 TYR 92 2HB TYR 92 10.168 8.798 6.518 261 HB3 TYR 92 1HB TYR 92 10.089 9.595 8.090 262 HD1 TYR 92 HD2 TYR 92 12.420 9.277 5.168 263 HD2 TYR 92 HD1 TYR 92 10.819 11.858 8.160 264 HE1 TYR 92 HE2 TYR 92 13.694 11.132 4.243 265 HE2 TYR 92 HE1 TYR 92 12.102 13.737 7.230 266 HH TYR 92 HH TYR 92 13.861 13.459 4.236 267 H ALA 93 H ALA 93 11.031 8.262 10.383 268 HA ALA 93 HA ALA 93 13.078 10.079 11.293 269 HB1 ALA 93 3HB ALA 93 10.741 10.207 12.074 270 HB2 ALA 93 1HB ALA 93 11.863 9.988 13.418 271 HB3 ALA 93 2HB ALA 93 10.903 8.624 12.835 272 H GLY 94 H GLY 94 13.325 6.829 10.694 273 HA2 GLY 94 2HA GLY 94 15.449 5.807 11.066 274 HA3 GLY 94 1HA GLY 94 15.562 6.589 12.624 275 H SER 95 H SER 95 12.491 5.424 12.519 276 HA SER 95 HA SER 95 13.063 3.298 14.361 277 HB2 SER 95 2HB SER 95 10.422 4.094 13.065 278 HB3 SER 95 1HB SER 95 10.611 3.048 14.474 279 HG SER 95 HG SER 95 11.853 5.518 14.638 280 H LYS 96 H LYS 96 14.149 1.613 13.372 281 HA LYS 96 HA LYS 96 13.555 0.357 10.932 282 HB2 LYS 96 2HB LYS 96 14.955 -1.524 11.766 283 HB3 LYS 96 1HB LYS 96 15.702 0.047 12.004 284 HG2 LYS 96 2HG LYS 96 15.046 -0.014 14.406 285 HG3 LYS 96 1HG LYS 96 14.345 -1.613 14.150 286 HD2 LYS 96 2HD LYS 96 16.590 -2.473 13.482 287 HD3 LYS 96 1HD LYS 96 17.289 -0.886 13.812 288 HE2 LYS 96 2HE LYS 96 15.871 -2.609 15.874 289 HE3 LYS 96 1HE LYS 96 17.619 -2.543 15.663 290 HZ1 LYS 96 3HZ LYS 96 15.878 -0.261 16.429 291 HZ2 LYS 96 1HZ LYS 96 17.553 -0.189 16.222 292 HZ3 LYS 96 2HZ LYS 96 16.894 -1.121 17.467 293 H SER 97 H SER 97 12.185 -0.159 14.122 294 HA SER 97 HA SER 97 10.813 -2.569 13.687 295 HB2 SER 97 2HB SER 97 9.922 -0.234 15.434 296 HB3 SER 97 1HB SER 97 9.370 -1.907 15.569 297 HG SER 97 HG SER 97 12.068 -1.797 15.622 298 H ALA 98 H ALA 98 9.791 0.808 13.187 299 HA ALA 98 HA ALA 98 7.204 0.328 12.123 300 HB1 ALA 98 3HB ALA 98 9.050 2.707 11.714 301 HB2 ALA 98 1HB ALA 98 7.889 2.502 13.023 302 HB3 ALA 98 2HB ALA 98 7.315 2.670 11.364 303 H MET 99 H MET 99 10.403 0.693 10.643 304 HA MET 99 HA MET 99 9.697 0.827 7.943 305 HB2 MET 99 2HB MET 99 11.916 1.432 8.767 306 HB3 MET 99 1HB MET 99 12.235 -0.222 9.266 307 HG2 MET 99 2HG MET 99 11.732 0.473 6.362 308 HG3 MET 99 1HG MET 99 13.328 0.632 7.088 309 HE1 MET 99 3HE MET 99 14.663 -1.440 8.165 310 HE2 MET 99 1HE MET 99 14.075 -3.100 8.125 311 HE3 MET 99 2HE MET 99 13.262 -1.906 9.135 312 H GLU 100 H GLU 100 10.460 -1.982 9.989 313 HA GLU 100 HA GLU 100 10.223 -3.958 7.958 314 HB2 GLU 100 2HB GLU 100 11.454 -4.336 10.080 315 HB3 GLU 100 1HB GLU 100 9.947 -4.258 10.989 316 HG2 GLU 100 2HG GLU 100 9.134 -6.264 9.878 317 HG3 GLU 100 1HG GLU 100 10.566 -6.338 8.862 318 H ARG 101 H ARG 101 7.957 -2.497 10.212 319 HA ARG 101 HA ARG 101 5.689 -4.173 9.673 320 HB2 ARG 101 2HB ARG 101 6.068 -1.465 10.991 321 HB3 ARG 101 1HB ARG 101 4.463 -2.152 10.761 322 HG2 ARG 101 2HG ARG 101 4.869 -3.940 12.248 323 HG3 ARG 101 1HG ARG 101 6.620 -3.708 12.195 324 HD2 ARG 101 2HD ARG 101 5.401 -2.943 14.322 325 HD3 ARG 101 1HD ARG 101 6.529 -1.803 13.598 326 HE ARG 101 HE ARG 101 4.611 -0.640 12.656 327 HH11 ARG 101 1HH1 ARG 101 3.916 -2.760 15.384 328 HH12 ARG 101 2HH1 ARG 101 2.479 -1.894 15.827 329 HH21 ARG 101 1HH2 ARG 101 2.801 0.515 13.282 330 HH22 ARG 101 2HH2 ARG 101 1.847 -0.029 14.628 331 H LEU 102 H LEU 102 7.018 -1.297 8.252 332 HA LEU 102 HA LEU 102 4.780 -0.528 6.647 333 HB2 LEU 102 2HB LEU 102 6.532 1.048 7.390 334 HB3 LEU 102 1HB LEU 102 7.750 0.158 6.494 335 HG LEU 102 HG LEU 102 6.791 0.882 4.369 336 HD11 LEU 102 1HD1 LEU 102 4.926 2.457 4.210 337 HD12 LEU 102 2HD1 LEU 102 4.650 2.326 5.949 338 HD13 LEU 102 3HD1 LEU 102 4.416 0.920 4.907 339 HD21 LEU 102 3HD2 LEU 102 7.131 3.209 6.288 340 HD22 LEU 102 1HD2 LEU 102 7.229 3.292 4.528 341 HD23 LEU 102 2HD2 LEU 102 8.419 2.359 5.425 342 H LYS 103 H LYS 103 7.833 -2.301 6.043 343 HA LYS 103 HA LYS 103 7.320 -2.966 3.337 344 HB2 LYS 103 2HB LYS 103 9.069 -4.495 5.318 345 HB3 LYS 103 1HB LYS 103 9.090 -4.677 3.568 346 HG2 LYS 103 2HG LYS 103 9.734 -2.165 3.503 347 HG3 LYS 103 1HG LYS 103 10.060 -2.350 5.224 348 HD2 LYS 103 2HD LYS 103 12.144 -2.635 4.018 349 HD3 LYS 103 1HD LYS 103 11.669 -4.201 4.681 350 HE2 LYS 103 2HE LYS 103 10.791 -4.876 2.489 351 HE3 LYS 103 1HE LYS 103 11.208 -3.298 1.821 352 HZ1 LYS 103 3HZ LYS 103 12.869 -4.945 1.250 353 HZ2 LYS 103 1HZ LYS 103 13.143 -5.289 2.884 354 HZ3 LYS 103 2HZ LYS 103 13.533 -3.769 2.262 355 H ARG 104 H ARG 104 6.652 -4.647 6.387 356 HA ARG 104 HA ARG 104 5.582 -7.027 5.269 357 HB2 ARG 104 2HB ARG 104 6.389 -6.809 7.630 358 HB3 ARG 104 1HB ARG 104 5.001 -5.790 8.000 359 HG2 ARG 104 2HG ARG 104 3.489 -7.681 7.488 360 HG3 ARG 104 1HG ARG 104 4.885 -8.702 7.134 361 HD2 ARG 104 2HD ARG 104 5.649 -8.457 9.476 362 HD3 ARG 104 1HD ARG 104 4.253 -7.425 9.818 363 HE ARG 104 HE ARG 104 3.323 -9.854 8.763 364 HH11 ARG 104 1HH1 ARG 104 4.899 -8.696 11.686 365 HH12 ARG 104 2HH1 ARG 104 4.225 -9.937 12.693 366 HH21 ARG 104 1HH2 ARG 104 2.400 -11.451 10.100 367 HH22 ARG 104 2HH2 ARG 104 2.804 -11.500 11.788 368 H GLY 105 H GLY 105 4.223 -3.874 5.989 369 HA2 GLY 105 2HA GLY 105 1.485 -4.396 5.567 370 HA3 GLY 105 1HA GLY 105 2.300 -2.857 5.302 371 H ILE 106 H ILE 106 4.098 -3.477 3.284 372 HA ILE 106 HA ILE 106 2.527 -3.577 0.929 373 HB ILE 106 HB ILE 106 5.492 -3.582 1.478 374 HG12 ILE 106 2HG1 ILE 106 5.428 -1.697 -0.222 375 HG13 ILE 106 1HG1 ILE 106 3.690 -1.921 -0.342 376 HG21 ILE 106 1HG2 ILE 106 5.415 -5.358 -0.196 377 HG22 ILE 106 2HG2 ILE 106 6.089 -3.896 -0.913 378 HG23 ILE 106 3HG2 ILE 106 4.422 -4.356 -1.260 379 HD11 ILE 106 3HD1 ILE 106 4.291 -0.035 1.051 380 HD12 ILE 106 1HD1 ILE 106 5.199 -1.096 2.121 381 HD13 ILE 106 2HD1 ILE 106 3.454 -1.270 1.988 382 H ILE 107 H ILE 107 4.478 -6.110 2.533 383 HA ILE 107 HA ILE 107 4.205 -8.196 0.674 384 HB ILE 107 HB ILE 107 4.386 -8.380 3.721 385 HG12 ILE 107 2HG1 ILE 107 6.653 -8.624 1.682 386 HG13 ILE 107 1HG1 ILE 107 6.295 -7.158 2.585 387 HG21 ILE 107 1HG2 ILE 107 5.236 -10.694 3.385 388 HG22 ILE 107 2HG2 ILE 107 4.923 -10.551 1.654 389 HG23 ILE 107 3HG2 ILE 107 3.582 -10.507 2.796 390 HD11 ILE 107 3HD1 ILE 107 8.142 -8.376 3.568 391 HD12 ILE 107 1HD1 ILE 107 7.122 -9.797 3.785 392 HD13 ILE 107 2HD1 ILE 107 6.775 -8.314 4.677 393 H HIS 108 H HIS 108 2.185 -7.294 3.416 394 HA HIS 108 HA HIS 108 0.220 -9.332 3.177 395 HB2 HIS 108 2HB HIS 108 0.621 -8.056 5.296 396 HB3 HIS 108 1HB HIS 108 -0.050 -6.613 4.537 397 HD1 HIS 108 HD1 HIS 108 -2.058 -6.424 6.126 398 HD2 HIS 108 HD2 HIS 108 -1.841 -10.088 4.187 399 HE1 HIS 108 HE1 HIS 108 -4.239 -7.586 6.600 400 HE2 HIS 108 HE2 HIS 108 -4.104 -9.743 5.327 401 H ALA 109 H ALA 109 0.261 -5.915 2.114 402 HA ALA 109 HA ALA 109 -2.396 -5.790 1.124 403 HB1 ALA 109 3HB ALA 109 -1.057 -3.778 1.641 404 HB2 ALA 109 1HB ALA 109 -1.697 -3.721 0.001 405 HB3 ALA 109 2HB ALA 109 0.001 -4.121 0.275 406 H ARG 110 H ARG 110 0.666 -6.652 -0.368 407 HA ARG 110 HA ARG 110 -0.113 -6.606 -3.097 408 HB2 ARG 110 2HB ARG 110 2.266 -6.553 -2.161 409 HB3 ARG 110 1HB ARG 110 2.110 -8.274 -1.826 410 HG2 ARG 110 2HG ARG 110 3.304 -8.012 -3.895 411 HG3 ARG 110 1HG ARG 110 1.706 -8.664 -4.261 412 HD2 ARG 110 2HD ARG 110 0.953 -6.332 -4.834 413 HD3 ARG 110 1HD ARG 110 2.612 -5.777 -4.607 414 HE ARG 110 HE ARG 110 1.521 -7.134 -6.868 415 HH11 ARG 110 1HH1 ARG 110 4.526 -6.656 -5.113 416 HH12 ARG 110 2HH1 ARG 110 5.503 -6.987 -6.507 417 HH21 ARG 110 1HH2 ARG 110 2.805 -7.508 -8.652 418 HH22 ARG 110 2HH2 ARG 110 4.528 -7.465 -8.498 419 H ALA 111 H ALA 111 -0.128 -9.081 -0.596 420 HA ALA 111 HA ALA 111 -0.867 -11.299 -2.260 421 HB1 ALA 111 3HB ALA 111 0.310 -11.611 -0.133 422 HB2 ALA 111 1HB ALA 111 -1.235 -12.461 -0.122 423 HB3 ALA 111 2HB ALA 111 -1.063 -10.931 0.745 424 H LEU 112 H LEU 112 -2.590 -8.950 -0.232 425 HA LEU 112 HA LEU 112 -5.177 -10.075 -0.365 426 HB2 LEU 112 2HB LEU 112 -4.280 -7.207 0.089 427 HB3 LEU 112 1HB LEU 112 -5.961 -7.707 0.196 428 HG LEU 112 HG LEU 112 -3.716 -8.750 1.974 429 HD11 LEU 112 1HD1 LEU 112 -4.242 -6.393 2.422 430 HD12 LEU 112 2HD1 LEU 112 -4.730 -7.426 3.759 431 HD13 LEU 112 3HD1 LEU 112 -5.946 -6.802 2.641 432 HD21 LEU 112 3HD2 LEU 112 -5.463 -10.442 1.657 433 HD22 LEU 112 1HD2 LEU 112 -6.710 -9.276 2.117 434 HD23 LEU 112 2HD2 LEU 112 -5.508 -9.806 3.298 435 H VAL 113 H VAL 113 -3.609 -7.561 -2.363 436 HA VAL 113 HA VAL 113 -5.755 -7.081 -4.132 437 HB VAL 113 HB VAL 113 -2.781 -6.844 -4.838 438 HG11 VAL 113 1HG1 VAL 113 -5.211 -5.462 -6.052 439 HG12 VAL 113 2HG1 VAL 113 -4.238 -6.723 -6.813 440 HG13 VAL 113 3HG1 VAL 113 -3.530 -5.143 -6.482 441 HG21 VAL 113 3HG2 VAL 113 -2.913 -4.489 -4.147 442 HG22 VAL 113 1HG2 VAL 113 -3.264 -5.563 -2.797 443 HG23 VAL 113 2HG2 VAL 113 -4.577 -4.724 -3.609 444 H ARG 114 H ARG 114 -3.139 -9.471 -4.159 445 HA ARG 114 HA ARG 114 -3.526 -10.572 -6.728 446 HB2 ARG 114 2HB ARG 114 -1.510 -11.053 -5.395 447 HB3 ARG 114 1HB ARG 114 -2.470 -11.918 -4.201 448 HG2 ARG 114 2HG ARG 114 -3.095 -13.571 -5.994 449 HG3 ARG 114 1HG ARG 114 -2.003 -12.727 -7.087 450 HD2 ARG 114 2HD ARG 114 -0.105 -13.265 -5.579 451 HD3 ARG 114 1HD ARG 114 -1.217 -14.148 -4.523 452 HE ARG 114 HE ARG 114 -1.017 -14.947 -7.348 453 HH11 ARG 114 1HH1 ARG 114 -0.306 -15.732 -3.988 454 HH12 ARG 114 2HH1 ARG 114 0.073 -17.389 -4.332 455 HH21 ARG 114 1HH2 ARG 114 -0.539 -17.132 -7.777 456 HH22 ARG 114 2HH2 ARG 114 -0.059 -18.178 -6.478 457 H GLU 115 H GLU 115 -4.925 -11.438 -3.576 458 HA GLU 115 HA GLU 115 -6.431 -13.694 -4.562 459 HB2 GLU 115 2HB GLU 115 -6.581 -12.171 -1.926 460 HB3 GLU 115 1HB GLU 115 -7.454 -13.664 -2.273 461 HG2 GLU 115 2HG GLU 115 -5.325 -14.861 -2.549 462 HG3 GLU 115 1HG GLU 115 -4.440 -13.370 -2.243 463 H CYS 116 H CYS 116 -6.942 -10.275 -4.231 464 HA CYS 116 HA CYS 116 -9.816 -10.372 -4.525 465 HB2 CYS 116 2HB CYS 116 -7.840 -8.060 -4.692 466 HB3 CYS 116 1HB CYS 116 -9.595 -7.881 -4.748 467 HG CYS 116 HG CYS 116 -8.218 -9.481 -2.087 468 H LEU 117 H LEU 117 -6.992 -10.080 -6.627 469 HA LEU 117 HA LEU 117 -8.168 -9.363 -9.072 470 HB2 LEU 117 2HB LEU 117 -5.808 -11.178 -8.448 471 HB3 LEU 117 1HB LEU 117 -6.281 -10.835 -10.100 472 HG LEU 117 HG LEU 117 -5.421 -8.680 -8.127 473 HD11 LEU 117 1HD1 LEU 117 -3.758 -10.034 -10.280 474 HD12 LEU 117 2HD1 LEU 117 -3.579 -10.262 -8.540 475 HD13 LEU 117 3HD1 LEU 117 -3.253 -8.687 -9.254 476 HD21 LEU 117 3HD2 LEU 117 -5.691 -8.574 -11.149 477 HD22 LEU 117 1HD2 LEU 117 -5.208 -7.253 -10.081 478 HD23 LEU 117 2HD2 LEU 117 -6.844 -7.900 -9.997 479 H ALA 118 H ALA 118 -8.297 -12.367 -7.302 480 HA ALA 118 HA ALA 118 -9.125 -14.181 -9.258 481 HB1 ALA 118 3HB ALA 118 -10.061 -15.498 -7.400 482 HB2 ALA 118 1HB ALA 118 -9.947 -14.092 -6.331 483 HB3 ALA 118 2HB ALA 118 -8.482 -14.841 -6.970 484 H GLU 119 H GLU 119 -11.284 -12.406 -6.967 485 HA GLU 119 HA GLU 119 -13.667 -13.023 -8.406 486 HB2 GLU 119 2HB GLU 119 -14.785 -11.525 -6.805 487 HB3 GLU 119 1HB GLU 119 -13.693 -12.631 -5.989 488 HG2 GLU 119 2HG GLU 119 -12.046 -10.837 -5.694 489 HG3 GLU 119 1HG GLU 119 -13.076 -9.723 -6.588 490 H THR 120 H THR 120 -11.422 -10.346 -8.469 491 HA THR 120 HA THR 120 -13.118 -8.423 -9.732 492 HB THR 120 HB THR 120 -10.071 -8.481 -9.450 493 HG1 THR 120 HG1 THR 120 -11.638 -8.395 -7.529 494 HG21 THR 120 3HG2 THR 120 -10.752 -6.862 -11.202 495 HG22 THR 120 1HG2 THR 120 -10.168 -6.026 -9.764 496 HG23 THR 120 2HG2 THR 120 -11.898 -6.123 -10.085 497 H GLU 121 H GLU 121 -10.951 -10.958 -10.875 498 HA GLU 121 HA GLU 121 -10.854 -10.178 -13.632 499 HB2 GLU 121 2HB GLU 121 -9.190 -11.690 -12.492 500 HB3 GLU 121 1HB GLU 121 -10.399 -12.969 -12.490 501 HG2 GLU 121 2HG GLU 121 -10.370 -13.101 -14.896 502 HG3 GLU 121 1HG GLU 121 -9.408 -11.626 -15.028 503 H ARG 122 H ARG 122 -13.069 -12.056 -11.711 504 HA ARG 122 HA ARG 122 -14.640 -13.179 -13.840 505 HB2 ARG 122 2HB ARG 122 -15.509 -12.554 -10.985 506 HB3 ARG 122 1HB ARG 122 -16.255 -13.709 -12.087 507 HG2 ARG 122 2HG ARG 122 -14.323 -15.174 -11.952 508 HG3 ARG 122 1HG ARG 122 -13.438 -13.978 -11.000 509 HD2 ARG 122 2HD ARG 122 -15.119 -14.192 -9.184 510 HD3 ARG 122 1HD ARG 122 -15.966 -15.421 -10.130 511 HE ARG 122 HE ARG 122 -13.510 -16.488 -9.966 512 HH11 ARG 122 1HH1 ARG 122 -15.566 -15.077 -7.468 513 HH12 ARG 122 2HH1 ARG 122 -14.939 -16.091 -6.212 514 HH21 ARG 122 1HH2 ARG 122 -12.744 -17.854 -8.308 515 HH22 ARG 122 2HH2 ARG 122 -13.339 -17.673 -6.686 516 H ASN 123 H ASN 123 -14.458 -10.125 -12.220 517 HA ASN 123 HA ASN 123 -17.077 -9.148 -12.954 518 HB2 ASN 123 2HB ASN 123 -14.683 -7.661 -11.787 519 HB3 ASN 123 1HB ASN 123 -16.327 -7.037 -11.902 520 HD21 ASN 123 1HD2 ASN 123 -14.770 -7.250 -9.528 521 HD22 ASN 123 2HD2 ASN 123 -15.594 -8.342 -8.471 522 H ALA 124 H ALA 124 -17.546 -8.273 -14.873 523 HA ALA 124 HA ALA 124 -15.448 -7.259 -16.682 524 HB1 ALA 124 3HB ALA 124 -17.137 -8.812 -17.596 525 HB2 ALA 124 1HB ALA 124 -17.209 -7.239 -18.394 526 HB3 ALA 124 2HB ALA 124 -18.418 -7.674 -17.182 527 H ARG 125 H ARG 125 -17.072 -6.028 -14.164 528 HA ARG 125 HA ARG 125 -17.947 -3.454 -15.159 529 HB2 ARG 125 2HB ARG 125 -17.372 -4.364 -12.307 530 HB3 ARG 125 1HB ARG 125 -18.264 -2.916 -12.768 531 HG2 ARG 125 2HG ARG 125 -20.096 -4.238 -13.651 532 HG3 ARG 125 1HG ARG 125 -19.175 -5.732 -13.447 533 HD2 ARG 125 2HD ARG 125 -20.256 -3.938 -11.248 534 HD3 ARG 125 1HD ARG 125 -20.768 -5.582 -11.644 535 HE ARG 125 HE ARG 125 -18.013 -5.031 -10.734 536 HH11 ARG 125 1HH1 ARG 125 -21.036 -6.790 -10.239 537 HH12 ARG 125 2HH1 ARG 125 -20.367 -7.777 -8.980 538 HH21 ARG 125 1HH2 ARG 125 -17.200 -6.266 -9.075 539 HH22 ARG 125 2HH2 ARG 125 -18.192 -7.474 -8.322 540 H THR 126 H THR 126 -14.939 -4.820 -14.463 541 HA THR 126 HA THR 126 -13.605 -2.219 -14.036 542 HB THR 126 HB THR 126 -13.497 -3.283 -11.925 543 HG1 THR 126 HG1 THR 126 -11.354 -3.408 -11.629 544 HG21 THR 126 3HG2 THR 126 -12.905 -5.592 -11.494 545 HG22 THR 126 1HG2 THR 126 -12.614 -5.890 -13.210 546 HG23 THR 126 2HG2 THR 126 -14.247 -5.546 -12.633 547 H1 SER 58 1H SER 58 14.450 -15.433 5.980 548 H2 SER 58 2H SER 58 13.092 -15.903 5.088 549 H3 SER 58 3H SER 58 14.544 -16.758 4.928 550 HA SER 58 HA SER 58 14.406 -17.478 7.204 551 HB2 SER 58 2HB SER 58 11.747 -15.976 7.138 552 HB3 SER 58 1HB SER 58 12.287 -17.006 8.462 553 HG SER 58 HG SER 58 14.042 -15.607 8.774 554 H HIS 59 H HIS 59 11.998 -18.902 7.863 555 HA HIS 59 HA HIS 59 11.792 -20.896 5.842 556 HB2 HIS 59 2HB HIS 59 9.977 -20.328 8.238 557 HB3 HIS 59 1HB HIS 59 9.767 -21.720 7.172 558 HD1 HIS 59 HD1 HIS 59 11.497 -20.707 10.199 559 HD2 HIS 59 HD2 HIS 59 12.130 -23.478 7.165 560 HE1 HIS 59 HE1 HIS 59 13.177 -22.330 11.114 561 HE2 HIS 59 HE2 HIS 59 13.616 -23.941 9.233 562 H MET 60 H MET 60 9.765 -18.159 6.743 563 HA MET 60 HA MET 60 8.177 -18.329 4.289 564 HB2 MET 60 2HB MET 60 6.985 -16.363 5.115 565 HB3 MET 60 1HB MET 60 7.064 -17.570 6.385 566 HG2 MET 60 2HG MET 60 8.878 -15.157 6.212 567 HG3 MET 60 1HG MET 60 7.407 -15.234 7.180 568 HE1 MET 60 3HE MET 60 7.491 -18.207 8.313 569 HE2 MET 60 1HE MET 60 7.146 -16.823 9.352 570 HE3 MET 60 2HE MET 60 8.371 -18.000 9.825 571 H ALA 61 H ALA 61 8.297 -16.712 2.644 572 HA ALA 61 HA ALA 61 10.683 -14.970 2.603 573 HB1 ALA 61 3HB ALA 61 11.345 -15.816 0.381 574 HB2 ALA 61 1HB ALA 61 10.037 -17.005 0.430 575 HB3 ALA 61 2HB ALA 61 11.371 -17.113 1.578 576 H MET 62 H MET 62 10.522 -13.228 1.193 577 HA MET 62 HA MET 62 7.886 -12.233 0.656 578 HB2 MET 62 2HB MET 62 10.638 -11.130 -0.067 579 HB3 MET 62 1HB MET 62 9.130 -10.271 -0.358 580 HG2 MET 62 2HG MET 62 10.186 -9.420 1.638 581 HG3 MET 62 1HG MET 62 8.696 -10.254 2.077 582 HE1 MET 62 3HE MET 62 11.190 -10.865 5.117 583 HE2 MET 62 1HE MET 62 9.637 -10.173 4.653 584 HE3 MET 62 2HE MET 62 11.137 -9.431 4.093 585 H LYS 63 H LYS 63 6.874 -13.519 -0.842 586 HA LYS 63 HA LYS 63 8.001 -13.642 -3.591 587 HB2 LYS 63 2HB LYS 63 6.117 -15.650 -2.285 588 HB3 LYS 63 1HB LYS 63 6.787 -15.759 -3.908 589 HG2 LYS 63 2HG LYS 63 9.021 -16.134 -3.028 590 HG3 LYS 63 1HG LYS 63 8.467 -15.834 -1.379 591 HD2 LYS 63 2HD LYS 63 7.532 -18.135 -3.140 592 HD3 LYS 63 1HD LYS 63 8.735 -18.263 -1.853 593 HE2 LYS 63 2HE LYS 63 7.077 -17.676 -0.170 594 HE3 LYS 63 1HE LYS 63 5.866 -17.357 -1.420 595 HZ1 LYS 63 3HZ LYS 63 5.520 -19.525 -0.443 596 HZ2 LYS 63 1HZ LYS 63 7.105 -19.992 -0.814 597 HZ3 LYS 63 2HZ LYS 63 5.995 -19.707 -2.058 598 HA PRO 64 HA PRO 64 4.012 -11.275 -3.878 599 HB2 PRO 64 2HB PRO 64 5.413 -9.446 -5.724 600 HB3 PRO 64 1HB PRO 64 4.727 -9.093 -4.128 601 HG2 PRO 64 2HG PRO 64 7.405 -9.072 -4.615 602 HG3 PRO 64 1HG PRO 64 6.711 -9.475 -3.025 603 HD2 PRO 64 2HD PRO 64 7.676 -11.349 -5.192 604 HD3 PRO 64 1HD PRO 64 7.992 -11.388 -3.438 605 HA PRO 65 HA PRO 65 2.686 -13.123 -7.828 606 HB2 PRO 65 2HB PRO 65 0.919 -11.072 -8.650 607 HB3 PRO 65 1HB PRO 65 0.495 -12.400 -7.555 608 HG2 PRO 65 2HG PRO 65 1.341 -9.604 -6.888 609 HG3 PRO 65 1HG PRO 65 0.046 -10.592 -6.167 610 HD2 PRO 65 2HD PRO 65 2.357 -10.309 -4.886 611 HD3 PRO 65 1HD PRO 65 1.566 -11.903 -4.929 612 H GLY 66 H GLY 66 4.292 -13.117 -9.321 613 HA2 GLY 66 2HA GLY 66 5.634 -10.790 -10.330 614 HA3 GLY 66 1HA GLY 66 5.798 -12.437 -10.919 615 H ALA 67 H ALA 67 4.237 -13.250 -12.431 616 HA ALA 67 HA ALA 67 3.120 -11.176 -14.206 617 HB1 ALA 67 3HB ALA 67 3.555 -14.154 -14.664 618 HB2 ALA 67 1HB ALA 67 4.601 -12.851 -15.228 619 HB3 ALA 67 2HB ALA 67 2.965 -13.004 -15.868 620 H GLN 68 H GLN 68 1.242 -10.606 -13.039 621 HA GLN 68 HA GLN 68 -1.054 -12.268 -13.560 622 HB2 GLN 68 2HB GLN 68 -0.230 -13.148 -11.314 623 HB3 GLN 68 1HB GLN 68 -0.524 -11.550 -10.634 624 HG2 GLN 68 2HG GLN 68 -2.927 -11.753 -11.230 625 HG3 GLN 68 1HG GLN 68 -2.627 -13.371 -11.861 626 HE21 GLN 68 1HE2 GLN 68 -4.442 -12.575 -9.746 627 HE22 GLN 68 2HE2 GLN 68 -3.955 -13.432 -8.329 628 H GLY 69 H GLY 69 -3.011 -11.125 -13.456 629 HA2 GLY 69 2HA GLY 69 -4.292 -9.243 -12.555 630 HA3 GLY 69 1HA GLY 69 -2.903 -8.216 -12.875 631 H SER 70 H SER 70 -5.569 -9.990 -14.318 632 HA SER 70 HA SER 70 -5.115 -9.073 -17.019 633 HB2 SER 70 2HB SER 70 -7.604 -10.320 -15.767 634 HB3 SER 70 1HB SER 70 -7.330 -10.086 -17.502 635 HG SER 70 HG SER 70 -6.129 -11.885 -15.717 636 H GLN 71 H GLN 71 -6.872 -7.912 -14.225 637 HA GLN 71 HA GLN 71 -8.502 -5.998 -15.710 638 HB2 GLN 71 2HB GLN 71 -8.257 -6.180 -12.684 639 HB3 GLN 71 1HB GLN 71 -9.585 -5.510 -13.626 640 HG2 GLN 71 2HG GLN 71 -8.820 -8.426 -13.415 641 HG3 GLN 71 1HG GLN 71 -10.218 -7.656 -12.675 642 HE21 GLN 71 1HE2 GLN 71 -11.984 -7.110 -14.000 643 HE22 GLN 71 2HE2 GLN 71 -12.190 -7.770 -15.577 644 H SER 72 H SER 72 -6.797 -4.755 -16.651 645 HA SER 72 HA SER 72 -4.459 -3.860 -15.663 646 HB2 SER 72 2HB SER 72 -6.271 -2.243 -17.502 647 HB3 SER 72 1HB SER 72 -4.520 -2.072 -17.361 648 HG SER 72 HG SER 72 -5.809 -3.663 -18.975 649 H THR 73 H THR 73 -7.392 -1.853 -15.516 650 HA THR 73 HA THR 73 -6.417 0.311 -14.102 651 HB THR 73 HB THR 73 -8.662 0.230 -15.186 652 HG1 THR 73 HG1 THR 73 -9.205 1.051 -12.563 653 HG21 THR 73 3HG2 THR 73 -9.592 -1.181 -12.652 654 HG22 THR 73 1HG2 THR 73 -9.470 -1.937 -14.244 655 HG23 THR 73 2HG2 THR 73 -10.611 -0.618 -13.980 656 H TYR 74 H TYR 74 -7.624 -2.755 -12.769 657 HA TYR 74 HA TYR 74 -7.270 -1.922 -10.009 658 HB2 TYR 74 2HB TYR 74 -9.126 -3.460 -10.653 659 HB3 TYR 74 1HB TYR 74 -7.938 -4.678 -11.135 660 HD1 TYR 74 HD1 TYR 74 -8.502 -2.447 -8.171 661 HD2 TYR 74 HD2 TYR 74 -7.671 -6.395 -9.534 662 HE1 TYR 74 HE1 TYR 74 -8.346 -3.208 -5.862 663 HE2 TYR 74 HE2 TYR 74 -7.510 -7.176 -7.196 664 HH TYR 74 HH TYR 74 -8.444 -5.165 -4.542 665 H THR 75 H THR 75 -5.427 -3.589 -12.430 666 HA THR 75 HA THR 75 -3.515 -4.866 -10.694 667 HB THR 75 HB THR 75 -3.233 -4.242 -13.674 668 HG1 THR 75 HG1 THR 75 -5.064 -5.711 -12.583 669 HG21 THR 75 3HG2 THR 75 -1.097 -4.956 -12.633 670 HG22 THR 75 1HG2 THR 75 -1.721 -6.211 -13.702 671 HG23 THR 75 2HG2 THR 75 -1.887 -6.380 -11.954 672 H ASP 76 H ASP 76 -3.947 -1.697 -12.049 673 HA ASP 76 HA ASP 76 -1.473 -0.510 -11.672 674 HB2 ASP 76 2HB ASP 76 -3.456 0.686 -12.577 675 HB3 ASP 76 1HB ASP 76 -4.195 0.687 -10.977 676 H LEU 77 H LEU 77 -4.015 -1.267 -9.303 677 HA LEU 77 HA LEU 77 -2.777 -0.218 -6.997 678 HB2 LEU 77 2HB LEU 77 -5.151 -0.821 -7.013 679 HB3 LEU 77 1HB LEU 77 -4.760 -2.515 -7.280 680 HG LEU 77 HG LEU 77 -3.716 -2.624 -5.021 681 HD11 LEU 77 1HD1 LEU 77 -4.663 0.232 -4.680 682 HD12 LEU 77 2HD1 LEU 77 -2.988 -0.322 -4.750 683 HD13 LEU 77 3HD1 LEU 77 -4.016 -0.802 -3.403 684 HD21 LEU 77 3HD2 LEU 77 -6.045 -3.277 -5.272 685 HD22 LEU 77 1HD2 LEU 77 -6.574 -1.612 -5.012 686 HD23 LEU 77 2HD2 LEU 77 -5.793 -2.511 -3.707 687 H LEU 78 H LEU 78 -2.709 -3.498 -8.389 688 HA LEU 78 HA LEU 78 -1.104 -4.817 -6.521 689 HB2 LEU 78 2HB LEU 78 -2.367 -5.791 -8.539 690 HB3 LEU 78 1HB LEU 78 -1.022 -5.265 -9.531 691 HG LEU 78 HG LEU 78 0.482 -6.751 -8.086 692 HD11 LEU 78 1HD1 LEU 78 -2.163 -7.853 -7.089 693 HD12 LEU 78 2HD1 LEU 78 -0.961 -6.980 -6.134 694 HD13 LEU 78 3HD1 LEU 78 -0.571 -8.559 -6.804 695 HD21 LEU 78 3HD2 LEU 78 -0.174 -7.435 -10.336 696 HD22 LEU 78 1HD2 LEU 78 -1.677 -8.123 -9.720 697 HD23 LEU 78 2HD2 LEU 78 -0.126 -8.829 -9.263 698 H SER 79 H SER 79 -0.228 -2.856 -9.324 699 HA SER 79 HA SER 79 2.582 -3.028 -9.168 700 HB2 SER 79 2HB SER 79 1.421 -2.294 -11.215 701 HB3 SER 79 1HB SER 79 0.819 -0.858 -10.389 702 HG SER 79 HG SER 79 2.983 -0.181 -10.149 703 H VAL 80 H VAL 80 0.267 -0.624 -7.809 704 HA VAL 80 HA VAL 80 2.127 1.286 -6.913 705 HB VAL 80 HB VAL 80 -0.661 0.677 -5.783 706 HG11 VAL 80 1HG1 VAL 80 0.660 1.888 -4.080 707 HG12 VAL 80 2HG1 VAL 80 -0.601 2.919 -4.741 708 HG13 VAL 80 3HG1 VAL 80 1.073 3.138 -5.260 709 HG21 VAL 80 3HG2 VAL 80 -1.382 2.649 -7.060 710 HG22 VAL 80 1HG2 VAL 80 -0.685 1.433 -8.122 711 HG23 VAL 80 2HG2 VAL 80 0.251 2.859 -7.693 712 H ILE 81 H ILE 81 0.746 -1.562 -5.277 713 HA ILE 81 HA ILE 81 1.820 -1.190 -2.735 714 HB ILE 81 HB ILE 81 1.465 -3.901 -4.078 715 HG12 ILE 81 2HG1 ILE 81 -0.636 -2.681 -4.305 716 HG13 ILE 81 1HG1 ILE 81 -0.830 -3.929 -3.092 717 HG21 ILE 81 1HG2 ILE 81 1.459 -3.089 -1.151 718 HG22 ILE 81 2HG2 ILE 81 2.701 -4.029 -1.983 719 HG23 ILE 81 3HG2 ILE 81 1.087 -4.701 -1.758 720 HD11 ILE 81 3HD1 ILE 81 -0.501 -0.968 -2.590 721 HD12 ILE 81 1HD1 ILE 81 -0.619 -2.200 -1.330 722 HD13 ILE 81 2HD1 ILE 81 -1.973 -1.921 -2.421 723 H GLU 82 H GLU 82 3.241 -2.914 -5.525 724 HA GLU 82 HA GLU 82 5.670 -3.701 -4.299 725 HB2 GLU 82 2HB GLU 82 4.861 -4.712 -6.400 726 HB3 GLU 82 1HB GLU 82 4.984 -3.166 -7.226 727 HG2 GLU 82 2HG GLU 82 6.796 -4.592 -7.919 728 HG3 GLU 82 1HG GLU 82 7.443 -3.242 -6.995 729 H GLU 83 H GLU 83 4.765 -0.825 -6.161 730 HA GLU 83 HA GLU 83 7.337 0.335 -6.405 731 HB2 GLU 83 2HB GLU 83 4.560 1.558 -6.632 732 HB3 GLU 83 1HB GLU 83 6.045 2.426 -7.020 733 HG2 GLU 83 2HG GLU 83 6.565 0.784 -8.781 734 HG3 GLU 83 1HG GLU 83 5.104 -0.115 -8.384 735 H MET 84 H MET 84 4.779 0.711 -3.970 736 HA MET 84 HA MET 84 6.061 2.723 -2.431 737 HB2 MET 84 2HB MET 84 3.999 0.613 -1.664 738 HB3 MET 84 1HB MET 84 4.568 1.857 -0.556 739 HG2 MET 84 2HG MET 84 3.746 3.591 -2.138 740 HG3 MET 84 1HG MET 84 3.086 2.305 -3.149 741 HE1 MET 84 3HE MET 84 0.328 0.792 -0.735 742 HE2 MET 84 1HE MET 84 1.991 0.224 -0.884 743 HE3 MET 84 2HE MET 84 1.073 0.664 -2.327 744 H GLY 85 H GLY 85 6.165 -0.815 -2.441 745 HA2 GLY 85 2HA GLY 85 7.924 -1.224 -0.260 746 HA3 GLY 85 1HA GLY 85 7.664 -2.324 -1.600 747 H LYS 86 H LYS 86 8.533 -0.031 -3.437 748 HA LYS 86 HA LYS 86 11.415 -0.455 -3.410 749 HB2 LYS 86 2HB LYS 86 9.611 1.172 -5.267 750 HB3 LYS 86 1HB LYS 86 11.335 0.927 -5.521 751 HG2 LYS 86 2HG LYS 86 11.015 -1.454 -5.876 752 HG3 LYS 86 1HG LYS 86 9.325 -1.339 -5.388 753 HD2 LYS 86 2HD LYS 86 9.398 -1.544 -7.795 754 HD3 LYS 86 1HD LYS 86 8.875 0.091 -7.403 755 HE2 LYS 86 2HE LYS 86 11.765 -0.531 -8.045 756 HE3 LYS 86 1HE LYS 86 10.589 -0.225 -9.315 757 HZ1 LYS 86 3HZ LYS 86 11.318 1.664 -7.143 758 HZ2 LYS 86 1HZ LYS 86 10.153 1.944 -8.336 759 HZ3 LYS 86 2HZ LYS 86 11.779 1.773 -8.761 760 H GLU 87 H GLU 87 9.110 2.041 -2.525 761 HA GLU 87 HA GLU 87 11.001 4.210 -2.350 762 HB2 GLU 87 2HB GLU 87 8.205 4.009 -1.173 763 HB3 GLU 87 1HB GLU 87 9.147 5.484 -1.330 764 HG2 GLU 87 2HG GLU 87 7.956 3.823 -3.556 765 HG3 GLU 87 1HG GLU 87 7.450 5.429 -3.041 766 H ILE 88 H ILE 88 10.083 1.665 -0.141 767 HA ILE 88 HA ILE 88 10.110 3.121 2.304 768 HB ILE 88 HB ILE 88 10.506 0.124 1.876 769 HG12 ILE 88 2HG1 ILE 88 7.958 1.629 2.616 770 HG13 ILE 88 1HG1 ILE 88 8.353 1.093 0.990 771 HG21 ILE 88 1HG2 ILE 88 9.780 -0.140 4.245 772 HG22 ILE 88 2HG2 ILE 88 9.812 1.613 4.440 773 HG23 ILE 88 3HG2 ILE 88 11.306 0.737 4.108 774 HD11 ILE 88 3HD1 ILE 88 6.819 -0.417 2.015 775 HD12 ILE 88 1HD1 ILE 88 7.900 -0.670 3.381 776 HD13 ILE 88 2HD1 ILE 88 8.361 -1.227 1.768 777 H ARG 89 H ARG 89 12.665 1.270 0.626 778 HA ARG 89 HA ARG 89 14.515 1.302 2.764 779 HB2 ARG 89 2HB ARG 89 14.593 -0.354 0.943 780 HB3 ARG 89 1HB ARG 89 14.988 0.904 -0.219 781 HG2 ARG 89 2HG ARG 89 17.135 1.301 1.027 782 HG3 ARG 89 1HG ARG 89 16.728 -0.059 2.078 783 HD2 ARG 89 2HD ARG 89 16.720 -1.571 0.138 784 HD3 ARG 89 1HD ARG 89 17.091 -0.214 -0.933 785 HE ARG 89 HE ARG 89 19.004 -0.633 1.190 786 HH11 ARG 89 1HH1 ARG 89 18.160 -1.472 -2.131 787 HH12 ARG 89 2HH1 ARG 89 19.777 -1.947 -2.554 788 HH21 ARG 89 1HH2 ARG 89 21.119 -1.278 0.635 789 HH22 ARG 89 2HH2 ARG 89 21.461 -1.832 -0.973 790 HA PRO 90 HA PRO 90 16.493 5.277 0.718 791 HB2 PRO 90 2HB PRO 90 14.786 6.723 -0.977 792 HB3 PRO 90 1HB PRO 90 16.130 5.696 -1.503 793 HG2 PRO 90 2HG PRO 90 13.213 5.078 -1.424 794 HG3 PRO 90 1HG PRO 90 14.439 4.586 -2.610 795 HD2 PRO 90 2HD PRO 90 13.491 2.906 -0.703 796 HD3 PRO 90 1HD PRO 90 15.158 2.807 -1.319 797 H THR 91 H THR 91 12.937 5.237 1.282 798 HA THR 91 HA THR 91 12.641 7.682 2.643 799 HB THR 91 HB THR 91 11.212 5.018 3.077 800 HG1 THR 91 HG1 THR 91 10.158 5.660 1.383 801 HG21 THR 91 3HG2 THR 91 9.408 6.279 4.236 802 HG22 THR 91 1HG2 THR 91 10.401 7.735 4.199 803 HG23 THR 91 2HG2 THR 91 10.918 6.338 5.146 804 H TYR 92 H TYR 92 13.473 4.486 3.897 805 HA TYR 92 HA TYR 92 13.936 5.230 6.577 806 HB2 TYR 92 2HB TYR 92 13.429 2.885 5.830 807 HB3 TYR 92 1HB TYR 92 15.031 2.790 5.091 808 HD1 TYR 92 HD2 TYR 92 13.454 3.700 8.374 809 HD2 TYR 92 HD1 TYR 92 16.736 1.797 6.424 810 HE1 TYR 92 HE2 TYR 92 14.389 3.111 10.552 811 HE2 TYR 92 HE1 TYR 92 17.683 1.198 8.612 812 HH TYR 92 HH TYR 92 15.944 1.600 11.558 813 H ALA 93 H ALA 93 15.978 5.335 3.694 814 HA ALA 93 HA ALA 93 18.456 5.765 5.099 815 HB1 ALA 93 3HB ALA 93 18.384 4.790 2.833 816 HB2 ALA 93 1HB ALA 93 19.379 6.246 2.881 817 HB3 ALA 93 2HB ALA 93 17.752 6.307 2.194 818 H GLY 94 H GLY 94 15.815 7.685 5.058 819 HA2 GLY 94 2HA GLY 94 15.580 9.846 5.837 820 HA3 GLY 94 1HA GLY 94 17.302 10.113 5.620 821 H SER 95 H SER 95 15.876 8.843 2.805 822 HA SER 95 HA SER 95 16.035 11.368 1.403 823 HB2 SER 95 2HB SER 95 15.102 8.653 0.371 824 HB3 SER 95 1HB SER 95 15.536 10.056 -0.612 825 HG SER 95 HG SER 95 17.389 9.019 1.232 826 H LYS 96 H LYS 96 14.436 12.761 1.951 827 HA LYS 96 HA LYS 96 11.709 12.169 2.429 828 HB2 LYS 96 2HB LYS 96 11.337 14.598 2.330 829 HB3 LYS 96 1HB LYS 96 12.763 14.203 3.276 830 HG2 LYS 96 2HG LYS 96 14.205 14.813 1.350 831 HG3 LYS 96 1HG LYS 96 12.762 15.258 0.432 832 HD2 LYS 96 2HD LYS 96 12.227 16.954 2.235 833 HD3 LYS 96 1HD LYS 96 13.785 16.574 2.978 834 HE2 LYS 96 2HE LYS 96 14.972 17.358 1.000 835 HE3 LYS 96 1HE LYS 96 13.447 17.611 0.143 836 HZ1 LYS 96 3HZ LYS 96 12.858 19.274 1.837 837 HZ2 LYS 96 1HZ LYS 96 14.261 19.683 0.985 838 HZ3 LYS 96 2HZ LYS 96 14.377 19.070 2.555 839 H SER 97 H SER 97 13.450 12.623 -0.538 840 HA SER 97 HA SER 97 11.410 13.270 -2.341 841 HB2 SER 97 2HB SER 97 13.750 11.389 -2.891 842 HB3 SER 97 1HB SER 97 12.834 12.322 -4.079 843 HG SER 97 HG SER 97 13.692 14.063 -2.327 844 H ALA 98 H ALA 98 12.618 10.093 -1.308 845 HA ALA 98 HA ALA 98 10.702 8.510 -2.722 846 HB1 ALA 98 3HB ALA 98 11.658 6.639 -1.421 847 HB2 ALA 98 1HB ALA 98 12.548 7.790 -0.411 848 HB3 ALA 98 2HB ALA 98 12.915 7.650 -2.129 849 H MET 99 H MET 99 10.938 9.869 0.514 850 HA MET 99 HA MET 99 8.983 8.333 1.812 851 HB2 MET 99 2HB MET 99 10.715 9.576 2.999 852 HB3 MET 99 1HB MET 99 10.071 11.108 2.431 853 HG2 MET 99 2HG MET 99 8.438 9.241 4.162 854 HG3 MET 99 1HG MET 99 9.556 10.414 4.848 855 HE1 MET 99 3HE MET 99 9.263 12.870 2.839 856 HE2 MET 99 1HE MET 99 9.287 13.045 4.597 857 HE3 MET 99 2HE MET 99 8.010 13.809 3.653 858 H GLU 100 H GLU 100 8.730 11.536 0.183 859 HA GLU 100 HA GLU 100 5.936 11.859 0.765 860 HB2 GLU 100 2HB GLU 100 7.410 13.804 0.302 861 HB3 GLU 100 1HB GLU 100 7.626 13.258 -1.361 862 HG2 GLU 100 2HG GLU 100 5.214 13.580 -1.791 863 HG3 GLU 100 1HG GLU 100 4.976 14.072 -0.113 864 H ARG 101 H ARG 101 7.762 10.444 -1.881 865 HA ARG 101 HA ARG 101 5.566 9.934 -3.659 866 HB2 ARG 101 2HB ARG 101 8.349 8.749 -3.393 867 HB3 ARG 101 1HB ARG 101 7.201 8.156 -4.592 868 HG2 ARG 101 2HG ARG 101 7.129 10.326 -5.684 869 HG3 ARG 101 1HG ARG 101 8.141 11.036 -4.420 870 HD2 ARG 101 2HD ARG 101 9.276 10.375 -6.653 871 HD3 ARG 101 1HD ARG 101 10.079 9.911 -5.157 872 HE ARG 101 HE ARG 101 9.029 7.655 -5.521 873 HH11 ARG 101 1HH1 ARG 101 9.754 9.691 -8.334 874 HH12 ARG 101 2HH1 ARG 101 9.939 8.331 -9.393 875 HH21 ARG 101 1HH2 ARG 101 9.383 5.920 -6.880 876 HH22 ARG 101 2HH2 ARG 101 9.728 6.178 -8.564 877 H LEU 102 H LEU 102 6.941 8.279 -0.923 878 HA LEU 102 HA LEU 102 5.570 5.786 -1.161 879 HB2 LEU 102 2HB LEU 102 7.660 6.041 0.108 880 HB3 LEU 102 1HB LEU 102 6.905 7.187 1.198 881 HG LEU 102 HG LEU 102 5.517 5.413 2.164 882 HD11 LEU 102 1HD1 LEU 102 5.794 3.053 1.574 883 HD12 LEU 102 2HD1 LEU 102 6.847 3.503 0.230 884 HD13 LEU 102 3HD1 LEU 102 5.150 3.991 0.228 885 HD21 LEU 102 3HD2 LEU 102 8.447 4.634 2.029 886 HD22 LEU 102 1HD2 LEU 102 7.286 4.106 3.249 887 HD23 LEU 102 2HD2 LEU 102 7.719 5.806 3.134 888 H LYS 103 H LYS 103 5.023 8.787 0.690 889 HA LYS 103 HA LYS 103 2.574 8.120 1.896 890 HB2 LYS 103 2HB LYS 103 3.586 10.868 1.040 891 HB3 LYS 103 1HB LYS 103 2.194 10.591 2.085 892 HG2 LYS 103 2HG LYS 103 3.698 9.501 3.755 893 HG3 LYS 103 1HG LYS 103 5.072 9.869 2.711 894 HD2 LYS 103 2HD LYS 103 4.960 11.545 4.461 895 HD3 LYS 103 1HD LYS 103 4.539 12.309 2.927 896 HE2 LYS 103 2HE LYS 103 2.131 12.107 3.520 897 HE3 LYS 103 1HE LYS 103 2.586 11.408 5.073 898 HZ1 LYS 103 3HZ LYS 103 2.104 13.795 5.199 899 HZ2 LYS 103 1HZ LYS 103 3.388 14.115 4.149 900 HZ3 LYS 103 2HZ LYS 103 3.683 13.437 5.670 901 H ARG 104 H ARG 104 3.296 9.719 -1.207 902 HA ARG 104 HA ARG 104 0.638 10.132 -2.036 903 HB2 ARG 104 2HB ARG 104 2.589 11.241 -3.130 904 HB3 ARG 104 1HB ARG 104 3.088 9.695 -3.812 905 HG2 ARG 104 2HG ARG 104 0.955 9.577 -5.068 906 HG3 ARG 104 1HG ARG 104 0.480 11.139 -4.404 907 HD2 ARG 104 2HD ARG 104 2.383 12.205 -5.566 908 HD3 ARG 104 1HD ARG 104 2.863 10.628 -6.217 909 HE ARG 104 HE ARG 104 0.197 11.021 -6.905 910 HH11 ARG 104 1HH1 ARG 104 3.277 12.534 -7.667 911 HH12 ARG 104 2HH1 ARG 104 2.751 13.077 -9.232 912 HH21 ARG 104 1HH2 ARG 104 -0.467 11.717 -8.967 913 HH22 ARG 104 2HH2 ARG 104 0.633 12.616 -9.966 914 H GLY 105 H GLY 105 2.806 7.376 -2.269 915 HA2 GLY 105 2HA GLY 105 1.344 5.682 -3.953 916 HA3 GLY 105 1HA GLY 105 2.434 5.166 -2.672 917 H ILE 106 H ILE 106 1.076 6.231 -0.423 918 HA ILE 106 HA ILE 106 -1.022 4.345 -0.009 919 HB ILE 106 HB ILE 106 0.147 6.574 1.645 920 HG12 ILE 106 2HG1 ILE 106 0.303 4.736 3.364 921 HG13 ILE 106 1HG1 ILE 106 -0.466 3.637 2.234 922 HG21 ILE 106 1HG2 ILE 106 -2.540 5.342 2.381 923 HG22 ILE 106 2HG2 ILE 106 -2.234 7.039 1.998 924 HG23 ILE 106 3HG2 ILE 106 -1.542 6.325 3.455 925 HD11 ILE 106 3HD1 ILE 106 1.460 3.834 0.751 926 HD12 ILE 106 1HD1 ILE 106 1.929 3.301 2.363 927 HD13 ILE 106 2HD1 ILE 106 2.209 4.969 1.870 928 H ILE 107 H ILE 107 -1.117 7.889 -0.677 929 HA ILE 107 HA ILE 107 -3.922 8.241 -0.606 930 HB ILE 107 HB ILE 107 -1.718 9.717 -2.103 931 HG12 ILE 107 2HG1 ILE 107 -2.420 11.633 -0.620 932 HG13 ILE 107 1HG1 ILE 107 -3.605 10.584 0.140 933 HG21 ILE 107 1HG2 ILE 107 -3.360 11.435 -2.853 934 HG22 ILE 107 2HG2 ILE 107 -4.678 10.410 -2.284 935 HG23 ILE 107 3HG2 ILE 107 -3.648 9.865 -3.608 936 HD11 ILE 107 3HD1 ILE 107 -0.610 10.270 0.246 937 HD12 ILE 107 1HD1 ILE 107 -1.780 9.189 1.007 938 HD13 ILE 107 2HD1 ILE 107 -1.658 10.868 1.531 939 H HIS 108 H HIS 108 -1.774 7.137 -3.141 940 HA HIS 108 HA HIS 108 -3.556 7.127 -5.354 941 HB2 HIS 108 2HB HIS 108 -1.018 7.192 -5.430 942 HB3 HIS 108 1HB HIS 108 -0.988 5.506 -4.934 943 HD1 HIS 108 HD1 HIS 108 0.406 6.134 -7.428 944 HD2 HIS 108 HD2 HIS 108 -3.652 5.291 -7.429 945 HE1 HIS 108 HE1 HIS 108 -0.125 5.402 -9.762 946 HE2 HIS 108 HE2 HIS 108 -2.521 4.702 -9.656 947 H ALA 109 H ALA 109 -2.296 4.598 -3.201 948 HA ALA 109 HA ALA 109 -3.654 2.399 -4.378 949 HB1 ALA 109 3HB ALA 109 -1.587 2.142 -3.079 950 HB2 ALA 109 1HB ALA 109 -2.875 1.141 -2.409 951 HB3 ALA 109 2HB ALA 109 -2.421 2.650 -1.611 952 H ARG 110 H ARG 110 -4.416 4.565 -1.710 953 HA ARG 110 HA ARG 110 -6.630 3.092 -0.629 954 HB2 ARG 110 2HB ARG 110 -5.185 4.851 0.564 955 HB3 ARG 110 1HB ARG 110 -6.064 6.086 -0.313 956 HG2 ARG 110 2HG ARG 110 -7.494 4.108 1.488 957 HG3 ARG 110 1HG ARG 110 -6.740 5.563 2.133 958 HD2 ARG 110 2HD ARG 110 -8.960 5.460 0.072 959 HD3 ARG 110 1HD ARG 110 -9.116 5.939 1.763 960 HE ARG 110 HE ARG 110 -8.109 7.533 -0.431 961 HH11 ARG 110 1HH1 ARG 110 -8.131 7.221 3.088 962 HH12 ARG 110 2HH1 ARG 110 -7.736 8.888 3.349 963 HH21 ARG 110 1HH2 ARG 110 -7.614 9.716 -0.040 964 HH22 ARG 110 2HH2 ARG 110 -7.448 10.287 1.588 965 H ALA 111 H ALA 111 -6.234 5.608 -3.088 966 HA ALA 111 HA ALA 111 -9.008 6.217 -3.480 967 HB1 ALA 111 3HB ALA 111 -6.655 6.602 -5.372 968 HB2 ALA 111 1HB ALA 111 -7.208 7.765 -4.165 969 HB3 ALA 111 2HB ALA 111 -8.245 7.354 -5.532 970 H LEU 112 H LEU 112 -6.746 3.901 -4.858 971 HA LEU 112 HA LEU 112 -8.324 2.923 -7.010 972 HB2 LEU 112 2HB LEU 112 -6.025 1.692 -5.456 973 HB3 LEU 112 1HB LEU 112 -6.731 0.926 -6.871 974 HG LEU 112 HG LEU 112 -5.577 3.734 -7.011 975 HD11 LEU 112 1HD1 LEU 112 -3.817 2.233 -6.166 976 HD12 LEU 112 2HD1 LEU 112 -3.469 2.815 -7.790 977 HD13 LEU 112 3HD1 LEU 112 -4.063 1.173 -7.553 978 HD21 LEU 112 3HD2 LEU 112 -7.048 3.051 -8.863 979 HD22 LEU 112 1HD2 LEU 112 -6.042 1.630 -9.155 980 HD23 LEU 112 2HD2 LEU 112 -5.387 3.250 -9.407 981 H VAL 113 H VAL 113 -7.746 1.635 -3.723 982 HA VAL 113 HA VAL 113 -9.474 -0.606 -3.934 983 HB VAL 113 HB VAL 113 -8.708 0.825 -1.338 984 HG11 VAL 113 1HG1 VAL 113 -9.541 -2.058 -1.837 985 HG12 VAL 113 2HG1 VAL 113 -10.512 -0.810 -1.050 986 HG13 VAL 113 3HG1 VAL 113 -9.033 -1.391 -0.286 987 HG21 VAL 113 3HG2 VAL 113 -6.671 0.274 -2.626 988 HG22 VAL 113 1HG2 VAL 113 -7.172 -1.413 -2.696 989 HG23 VAL 113 2HG2 VAL 113 -6.786 -0.668 -1.143 990 H ARG 114 H ARG 114 -9.936 2.707 -2.674 991 HA ARG 114 HA ARG 114 -12.527 2.349 -1.604 992 HB2 ARG 114 2HB ARG 114 -11.184 4.259 -0.888 993 HB3 ARG 114 1HB ARG 114 -11.178 4.926 -2.519 994 HG2 ARG 114 2HG ARG 114 -13.605 5.290 -2.399 995 HG3 ARG 114 1HG ARG 114 -13.656 4.561 -0.798 996 HD2 ARG 114 2HD ARG 114 -12.375 6.419 0.137 997 HD3 ARG 114 1HD ARG 114 -12.141 7.108 -1.477 998 HE ARG 114 HE ARG 114 -14.653 7.307 -1.557 999 HH11 ARG 114 1HH1 ARG 114 -13.001 7.442 1.542 1000 HH12 ARG 114 2HH1 ARG 114 -14.246 8.386 2.298 1001 HH21 ARG 114 1HH2 ARG 114 -16.280 8.532 -0.567 1002 HH22 ARG 114 2HH2 ARG 114 -16.109 9.008 1.100 1003 H GLU 115 H GLU 115 -11.479 3.625 -4.786 1004 HA GLU 115 HA GLU 115 -14.114 4.051 -5.799 1005 HB2 GLU 115 2HB GLU 115 -11.427 3.786 -7.195 1006 HB3 GLU 115 1HB GLU 115 -12.926 3.986 -8.094 1007 HG2 GLU 115 2HG GLU 115 -13.324 6.138 -6.869 1008 HG3 GLU 115 1HG GLU 115 -11.750 5.937 -6.099 1009 H CYS 116 H CYS 116 -12.000 1.224 -5.663 1010 HA CYS 116 HA CYS 116 -13.418 -0.372 -7.568 1011 HB2 CYS 116 2HB CYS 116 -11.083 -0.845 -6.979 1012 HB3 CYS 116 1HB CYS 116 -11.547 -1.217 -5.320 1013 HG CYS 116 HG CYS 116 -13.418 -3.165 -6.950 1014 H LEU 117 H LEU 117 -13.778 0.268 -4.129 1015 HA LEU 117 HA LEU 117 -15.388 -1.803 -3.239 1016 HB2 LEU 117 2HB LEU 117 -15.508 1.149 -2.516 1017 HB3 LEU 117 1HB LEU 117 -16.412 -0.080 -1.651 1018 HG LEU 117 HG LEU 117 -13.372 0.089 -1.787 1019 HD11 LEU 117 1HD1 LEU 117 -13.488 0.740 0.589 1020 HD12 LEU 117 2HD1 LEU 117 -15.252 0.772 0.501 1021 HD13 LEU 117 3HD1 LEU 117 -14.298 1.913 -0.448 1022 HD21 LEU 117 3HD2 LEU 117 -15.125 -1.779 -0.164 1023 HD22 LEU 117 1HD2 LEU 117 -13.365 -1.674 -0.092 1024 HD23 LEU 117 2HD2 LEU 117 -14.153 -2.226 -1.567 1025 H ALA 118 H ALA 118 -16.262 0.868 -5.339 1026 HA ALA 118 HA ALA 118 -19.040 0.919 -5.147 1027 HB1 ALA 118 3HB ALA 118 -19.024 1.944 -7.383 1028 HB2 ALA 118 1HB ALA 118 -17.357 1.398 -7.623 1029 HB3 ALA 118 2HB ALA 118 -17.727 2.594 -6.381 1030 H GLU 119 H GLU 119 -17.028 -1.098 -7.343 1031 HA GLU 119 HA GLU 119 -19.353 -2.645 -8.162 1032 HB2 GLU 119 2HB GLU 119 -17.909 -3.619 -9.812 1033 HB3 GLU 119 1HB GLU 119 -17.635 -1.890 -9.787 1034 HG2 GLU 119 2HG GLU 119 -15.440 -2.457 -9.852 1035 HG3 GLU 119 1HG GLU 119 -15.634 -2.719 -8.121 1036 H THR 120 H THR 120 -16.652 -2.971 -5.913 1037 HA THR 120 HA THR 120 -16.640 -5.845 -5.812 1038 HB THR 120 HB THR 120 -15.380 -3.897 -3.825 1039 HG1 THR 120 HG1 THR 120 -14.525 -4.926 -6.323 1040 HG21 THR 120 3HG2 THR 120 -15.417 -6.211 -2.949 1041 HG22 THR 120 1HG2 THR 120 -13.775 -5.743 -3.384 1042 HG23 THR 120 2HG2 THR 120 -14.696 -6.811 -4.445 1043 H GLU 121 H GLU 121 -18.321 -3.339 -4.031 1044 HA GLU 121 HA GLU 121 -19.420 -4.758 -1.891 1045 HB2 GLU 121 2HB GLU 121 -21.316 -3.150 -1.988 1046 HB3 GLU 121 1HB GLU 121 -19.761 -2.342 -2.150 1047 HG2 GLU 121 2HG GLU 121 -20.080 -2.176 -4.584 1048 HG3 GLU 121 1HG GLU 121 -21.604 -3.046 -4.441 1049 H ARG 122 H ARG 122 -20.225 -4.815 -5.303 1050 HA ARG 122 HA ARG 122 -22.717 -6.243 -5.108 1051 HB2 ARG 122 2HB ARG 122 -20.897 -5.958 -7.541 1052 HB3 ARG 122 1HB ARG 122 -22.624 -6.306 -7.539 1053 HG2 ARG 122 2HG ARG 122 -23.152 -4.069 -6.782 1054 HG3 ARG 122 1HG ARG 122 -21.448 -3.716 -6.496 1055 HD2 ARG 122 2HD ARG 122 -21.108 -4.060 -9.029 1056 HD3 ARG 122 1HD ARG 122 -22.871 -4.009 -9.161 1057 HE ARG 122 HE ARG 122 -21.989 -1.777 -7.691 1058 HH11 ARG 122 1HH1 ARG 122 -21.841 -2.916 -11.040 1059 HH12 ARG 122 2HH1 ARG 122 -21.745 -1.315 -11.694 1060 HH21 ARG 122 1HH2 ARG 122 -21.893 0.281 -8.553 1061 HH22 ARG 122 2HH2 ARG 122 -21.776 0.512 -10.269 1062 H ASN 123 H ASN 123 -19.438 -7.172 -4.918 1063 HA ASN 123 HA ASN 123 -19.979 -10.025 -5.414 1064 HB2 ASN 123 2HB ASN 123 -17.422 -8.417 -4.963 1065 HB3 ASN 123 1HB ASN 123 -17.436 -10.174 -4.823 1066 HD21 ASN 123 1HD2 ASN 123 -15.878 -10.074 -6.549 1067 HD22 ASN 123 2HD2 ASN 123 -16.426 -9.977 -8.190 1068 H ALA 124 H ALA 124 -21.035 -10.899 -3.714 1069 HA ALA 124 HA ALA 124 -20.469 -10.243 -0.942 1070 HB1 ALA 124 3HB ALA 124 -22.745 -10.840 -1.673 1071 HB2 ALA 124 1HB ALA 124 -22.159 -11.964 -0.446 1072 HB3 ALA 124 2HB ALA 124 -22.193 -12.449 -2.144 1073 H ARG 125 H ARG 125 -18.563 -10.931 -0.120 1074 HA ARG 125 HA ARG 125 -17.383 -13.483 -1.032 1075 HB2 ARG 125 2HB ARG 125 -15.998 -11.468 -1.418 1076 HB3 ARG 125 1HB ARG 125 -16.078 -11.056 0.288 1077 HG2 ARG 125 2HG ARG 125 -13.933 -11.998 -0.078 1078 HG3 ARG 125 1HG ARG 125 -14.863 -13.226 0.774 1079 HD2 ARG 125 2HD ARG 125 -14.288 -13.173 -2.208 1080 HD3 ARG 125 1HD ARG 125 -13.470 -14.187 -1.024 1081 HE ARG 125 HE ARG 125 -16.018 -14.655 -2.262 1082 HH11 ARG 125 1HH1 ARG 125 -14.134 -15.433 0.617 1083 HH12 ARG 125 2HH1 ARG 125 -15.039 -16.877 0.943 1084 HH21 ARG 125 1HH2 ARG 125 -17.225 -16.509 -1.747 1085 HH22 ARG 125 2HH2 ARG 125 -16.772 -17.485 -0.380 1086 H THR 126 H THR 126 -18.130 -15.048 0.300 1087 HA THR 126 HA THR 126 -17.445 -14.936 3.158 1088 HB THR 126 HB THR 126 -20.200 -15.784 2.132 1089 HG1 THR 126 HG1 THR 126 -19.221 -13.420 3.159 1090 HG21 THR 126 3HG2 THR 126 -20.794 -16.124 4.516 1091 HG22 THR 126 1HG2 THR 126 -19.119 -15.805 4.974 1092 HG23 THR 126 2HG2 THR 126 -19.514 -17.227 4.007 Start of MODEL 11 1 H1 SER 58 1H SER 58 -37.658 -14.556 8.802 2 H2 SER 58 2H SER 58 -38.140 -15.723 7.686 3 H3 SER 58 3H SER 58 -39.232 -14.535 8.191 4 HA SER 58 HA SER 58 -37.891 -12.832 7.189 5 HB2 SER 58 2HB SER 58 -35.705 -13.943 7.436 6 HB3 SER 58 1HB SER 58 -36.175 -15.186 6.274 7 HG SER 58 HG SER 58 -35.123 -13.809 5.019 8 H HIS 59 H HIS 59 -39.941 -12.641 6.237 9 HA HIS 59 HA HIS 59 -40.931 -14.444 4.218 10 HB2 HIS 59 2HB HIS 59 -41.883 -11.704 5.157 11 HB3 HIS 59 1HB HIS 59 -42.675 -12.594 3.862 12 HD1 HIS 59 HD1 HIS 59 -44.861 -13.105 4.974 13 HD2 HIS 59 HD2 HIS 59 -41.608 -14.235 7.311 14 HE1 HIS 59 HE1 HIS 59 -45.824 -14.360 6.925 15 HE2 HIS 59 HE2 HIS 59 -43.843 -14.965 8.357 16 H MET 60 H MET 60 -39.413 -14.568 2.602 17 HA MET 60 HA MET 60 -38.447 -12.201 1.199 18 HB2 MET 60 2HB MET 60 -36.950 -14.150 1.594 19 HB3 MET 60 1HB MET 60 -38.015 -15.176 0.643 20 HG2 MET 60 2HG MET 60 -37.525 -13.651 -1.333 21 HG3 MET 60 1HG MET 60 -36.272 -12.900 -0.338 22 HE1 MET 60 3HE MET 60 -33.884 -16.021 0.251 23 HE2 MET 60 1HE MET 60 -35.202 -15.513 1.303 24 HE3 MET 60 2HE MET 60 -34.119 -14.308 0.605 25 H ALA 61 H ALA 61 -40.582 -11.453 0.571 26 HA ALA 61 HA ALA 61 -41.574 -12.701 -1.942 27 HB1 ALA 61 3HB ALA 61 -43.857 -12.018 -1.361 28 HB2 ALA 61 1HB ALA 61 -43.296 -11.348 0.173 29 HB3 ALA 61 2HB ALA 61 -43.210 -13.086 -0.116 30 H MET 62 H MET 62 -40.602 -11.413 -3.364 31 HA MET 62 HA MET 62 -39.923 -9.666 -4.597 32 HB2 MET 62 2HB MET 62 -42.340 -8.313 -3.331 33 HB3 MET 62 1HB MET 62 -41.396 -7.584 -4.628 34 HG2 MET 62 2HG MET 62 -42.953 -10.184 -4.799 35 HG3 MET 62 1HG MET 62 -43.385 -8.636 -5.538 36 HE1 MET 62 3HE MET 62 -42.296 -10.897 -8.620 37 HE2 MET 62 1HE MET 62 -43.632 -10.010 -7.887 38 HE3 MET 62 2HE MET 62 -43.059 -11.511 -7.155 39 H LYS 63 H LYS 63 -39.000 -9.983 -1.742 40 HA LYS 63 HA LYS 63 -37.248 -7.691 -1.613 41 HB2 LYS 63 2HB LYS 63 -39.477 -7.114 -0.318 42 HB3 LYS 63 1HB LYS 63 -38.925 -8.279 0.876 43 HG2 LYS 63 2HG LYS 63 -37.444 -5.745 0.058 44 HG3 LYS 63 1HG LYS 63 -38.435 -5.931 1.505 45 HD2 LYS 63 2HD LYS 63 -36.858 -7.663 2.347 46 HD3 LYS 63 1HD LYS 63 -35.866 -7.457 0.901 47 HE2 LYS 63 2HE LYS 63 -34.851 -6.234 2.716 48 HE3 LYS 63 1HE LYS 63 -35.497 -5.074 1.558 49 HZ1 LYS 63 3HZ LYS 63 -37.431 -4.785 3.001 50 HZ2 LYS 63 1HZ LYS 63 -36.002 -4.411 3.821 51 HZ3 LYS 63 2HZ LYS 63 -36.790 -5.879 4.118 52 HA PRO 64 HA PRO 64 -35.141 -11.492 -0.014 53 HB2 PRO 64 2HB PRO 64 -32.701 -11.021 -1.136 54 HB3 PRO 64 1HB PRO 64 -34.043 -11.694 -2.084 55 HG2 PRO 64 2HG PRO 64 -33.034 -8.869 -1.998 56 HG3 PRO 64 1HG PRO 64 -33.552 -9.839 -3.396 57 HD2 PRO 64 2HD PRO 64 -35.173 -7.971 -2.144 58 HD3 PRO 64 1HD PRO 64 -35.788 -9.352 -3.071 59 HA PRO 65 HA PRO 65 -33.481 -9.181 3.565 60 HB2 PRO 65 2HB PRO 65 -32.043 -11.287 4.711 61 HB3 PRO 65 1HB PRO 65 -33.792 -11.041 4.918 62 HG2 PRO 65 2HG PRO 65 -32.369 -12.853 2.984 63 HG3 PRO 65 1HG PRO 65 -33.790 -13.192 4.002 64 HD2 PRO 65 2HD PRO 65 -34.101 -12.620 1.403 65 HD3 PRO 65 1HD PRO 65 -35.249 -11.978 2.603 66 H GLY 66 H GLY 66 -31.941 -7.743 3.119 67 HA2 GLY 66 2HA GLY 66 -29.566 -8.273 1.571 68 HA3 GLY 66 1HA GLY 66 -30.016 -6.752 2.320 69 H ALA 67 H ALA 67 -27.710 -6.577 2.806 70 HA ALA 67 HA ALA 67 -25.854 -6.653 4.092 71 HB1 ALA 67 3HB ALA 67 -27.587 -8.023 6.188 72 HB2 ALA 67 1HB ALA 67 -27.397 -6.280 5.994 73 HB3 ALA 67 2HB ALA 67 -26.016 -7.268 6.477 74 H GLN 68 H GLN 68 -26.845 -9.042 2.416 75 HA GLN 68 HA GLN 68 -25.294 -11.284 3.523 76 HB2 GLN 68 2HB GLN 68 -27.618 -11.711 2.754 77 HB3 GLN 68 1HB GLN 68 -27.216 -11.132 1.147 78 HG2 GLN 68 2HG GLN 68 -27.311 -13.581 1.195 79 HG3 GLN 68 1HG GLN 68 -25.679 -13.028 0.830 80 HE21 GLN 68 1HE2 GLN 68 -27.731 -14.534 3.232 81 HE22 GLN 68 2HE2 GLN 68 -26.452 -15.165 4.210 82 H GLY 69 H GLY 69 -23.248 -11.517 2.841 83 HA2 GLY 69 2HA GLY 69 -21.461 -11.693 1.343 84 HA3 GLY 69 1HA GLY 69 -22.387 -10.818 0.128 85 H SER 70 H SER 70 -20.624 -10.447 3.177 86 HA SER 70 HA SER 70 -20.622 -7.599 3.199 87 HB2 SER 70 2HB SER 70 -19.003 -7.836 5.058 88 HB3 SER 70 1HB SER 70 -20.356 -8.948 5.267 89 HG SER 70 HG SER 70 -18.545 -10.258 3.893 90 H GLN 71 H GLN 71 -19.275 -6.191 2.262 91 HA GLN 71 HA GLN 71 -17.014 -7.047 0.620 92 HB2 GLN 71 2HB GLN 71 -16.873 -4.688 -0.072 93 HB3 GLN 71 1HB GLN 71 -18.519 -5.292 -0.236 94 HG2 GLN 71 2HG GLN 71 -19.177 -4.135 1.838 95 HG3 GLN 71 1HG GLN 71 -17.519 -3.569 2.054 96 HE21 GLN 71 1HE2 GLN 71 -20.421 -3.244 0.115 97 HE22 GLN 71 2HE2 GLN 71 -19.996 -1.731 -0.599 98 H SER 72 H SER 72 -17.508 -6.459 3.843 99 HA SER 72 HA SER 72 -15.420 -4.902 4.781 100 HB2 SER 72 2HB SER 72 -16.651 -7.375 6.063 101 HB3 SER 72 1HB SER 72 -15.698 -6.155 6.916 102 HG SER 72 HG SER 72 -17.339 -4.630 6.104 103 H THR 73 H THR 73 -15.408 -8.373 3.977 104 HA THR 73 HA THR 73 -12.878 -9.187 4.608 105 HB THR 73 HB THR 73 -14.492 -10.728 3.632 106 HG1 THR 73 HG1 THR 73 -12.652 -11.708 3.244 107 HG21 THR 73 3HG2 THR 73 -15.031 -10.788 1.226 108 HG22 THR 73 1HG2 THR 73 -14.085 -9.317 0.966 109 HG23 THR 73 2HG2 THR 73 -15.554 -9.263 1.941 110 H TYR 74 H TYR 74 -13.799 -7.227 1.792 111 HA TYR 74 HA TYR 74 -11.089 -6.972 0.796 112 HB2 TYR 74 2HB TYR 74 -12.995 -7.105 -0.765 113 HB3 TYR 74 1HB TYR 74 -13.694 -5.650 -0.060 114 HD1 TYR 74 HD1 TYR 74 -10.123 -6.295 -0.966 115 HD2 TYR 74 HD2 TYR 74 -13.684 -4.143 -1.898 116 HE1 TYR 74 HE1 TYR 74 -8.888 -4.950 -2.575 117 HE2 TYR 74 HE2 TYR 74 -12.430 -2.797 -3.502 118 HH TYR 74 HH TYR 74 -10.234 -2.136 -4.007 119 H THR 75 H THR 75 -13.391 -4.977 2.642 120 HA THR 75 HA THR 75 -12.150 -2.476 2.515 121 HB THR 75 HB THR 75 -13.687 -3.533 4.930 122 HG1 THR 75 HG1 THR 75 -14.929 -2.198 2.769 123 HG21 THR 75 3HG2 THR 75 -12.704 -1.294 5.281 124 HG22 THR 75 1HG2 THR 75 -14.461 -1.185 5.148 125 HG23 THR 75 2HG2 THR 75 -13.443 -0.725 3.781 126 H ASP 76 H ASP 76 -11.192 -5.330 4.211 127 HA ASP 76 HA ASP 76 -9.485 -4.438 6.207 128 HB2 ASP 76 2HB ASP 76 -10.040 -6.839 5.811 129 HB3 ASP 76 1HB ASP 76 -9.071 -6.818 4.341 130 H LEU 77 H LEU 77 -8.775 -5.000 2.733 131 HA LEU 77 HA LEU 77 -6.089 -4.244 2.703 132 HB2 LEU 77 2HB LEU 77 -7.065 -5.409 0.820 133 HB3 LEU 77 1HB LEU 77 -8.190 -4.094 0.518 134 HG LEU 77 HG LEU 77 -6.301 -2.620 -0.180 135 HD11 LEU 77 1HD1 LEU 77 -4.052 -3.507 -0.542 136 HD12 LEU 77 2HD1 LEU 77 -4.519 -5.040 0.199 137 HD13 LEU 77 3HD1 LEU 77 -4.493 -3.560 1.162 138 HD21 LEU 77 3HD2 LEU 77 -6.353 -5.248 -1.671 139 HD22 LEU 77 1HD2 LEU 77 -5.798 -3.693 -2.301 140 HD23 LEU 77 2HD2 LEU 77 -7.491 -3.913 -1.868 141 H LEU 78 H LEU 78 -9.014 -2.243 2.230 142 HA LEU 78 HA LEU 78 -7.829 0.187 1.530 143 HB2 LEU 78 2HB LEU 78 -10.285 -0.357 1.456 144 HB3 LEU 78 1HB LEU 78 -10.341 -0.220 3.204 145 HG LEU 78 HG LEU 78 -9.702 2.204 3.006 146 HD11 LEU 78 1HD1 LEU 78 -8.506 2.137 0.892 147 HD12 LEU 78 2HD1 LEU 78 -9.813 3.318 0.830 148 HD13 LEU 78 3HD1 LEU 78 -10.001 1.754 0.030 149 HD21 LEU 78 3HD2 LEU 78 -12.061 1.564 3.189 150 HD22 LEU 78 1HD2 LEU 78 -12.175 1.458 1.430 151 HD23 LEU 78 2HD2 LEU 78 -11.851 3.011 2.207 152 H SER 79 H SER 79 -8.502 -1.196 4.719 153 HA SER 79 HA SER 79 -7.598 1.003 6.274 154 HB2 SER 79 2HB SER 79 -7.804 -1.922 7.065 155 HB3 SER 79 1HB SER 79 -7.751 -0.536 8.165 156 HG SER 79 HG SER 79 -9.715 -0.130 6.424 157 H VAL 80 H VAL 80 -6.028 -2.036 5.166 158 HA VAL 80 HA VAL 80 -3.589 -1.921 6.506 159 HB VAL 80 HB VAL 80 -4.201 -3.030 3.719 160 HG11 VAL 80 1HG1 VAL 80 -2.099 -4.351 3.877 161 HG12 VAL 80 2HG1 VAL 80 -1.675 -3.491 5.359 162 HG13 VAL 80 3HG1 VAL 80 -1.773 -2.617 3.829 163 HG21 VAL 80 3HG2 VAL 80 -5.417 -4.146 5.546 164 HG22 VAL 80 1HG2 VAL 80 -3.898 -4.445 6.390 165 HG23 VAL 80 2HG2 VAL 80 -4.218 -5.233 4.844 166 H ILE 81 H ILE 81 -4.513 -0.511 3.394 167 HA ILE 81 HA ILE 81 -2.203 0.691 2.526 168 HB ILE 81 HB ILE 81 -5.067 1.714 2.303 169 HG12 ILE 81 2HG1 ILE 81 -4.851 -0.511 1.314 170 HG13 ILE 81 1HG1 ILE 81 -5.013 0.657 0.014 171 HG21 ILE 81 1HG2 ILE 81 -2.633 2.565 0.704 172 HG22 ILE 81 2HG2 ILE 81 -3.564 3.553 1.830 173 HG23 ILE 81 3HG2 ILE 81 -4.303 3.007 0.329 174 HD11 ILE 81 3HD1 ILE 81 -3.397 -1.025 -0.548 175 HD12 ILE 81 1HD1 ILE 81 -2.483 -0.704 0.924 176 HD13 ILE 81 2HD1 ILE 81 -2.572 0.520 -0.347 177 H GLU 82 H GLU 82 -4.710 2.195 4.579 178 HA GLU 82 HA GLU 82 -3.292 4.639 5.013 179 HB2 GLU 82 2HB GLU 82 -5.658 3.499 6.547 180 HB3 GLU 82 1HB GLU 82 -5.131 5.188 6.542 181 HG2 GLU 82 2HG GLU 82 -5.636 5.350 4.142 182 HG3 GLU 82 1HG GLU 82 -6.128 3.657 4.117 183 H GLU 83 H GLU 83 -3.411 1.590 6.738 184 HA GLU 83 HA GLU 83 -2.287 2.474 9.211 185 HB2 GLU 83 2HB GLU 83 -2.375 -0.303 7.954 186 HB3 GLU 83 1HB GLU 83 -1.754 0.019 9.573 187 HG2 GLU 83 2HG GLU 83 -4.593 0.601 8.663 188 HG3 GLU 83 1HG GLU 83 -4.103 -0.845 9.541 189 H MET 84 H MET 84 -0.949 1.305 6.147 190 HA MET 84 HA MET 84 1.791 1.413 6.947 191 HB2 MET 84 2HB MET 84 0.521 1.532 4.169 192 HB3 MET 84 1HB MET 84 2.240 1.311 4.477 193 HG2 MET 84 2HG MET 84 1.733 -0.816 5.644 194 HG3 MET 84 1HG MET 84 0.028 -0.607 5.261 195 HE1 MET 84 3HE MET 84 0.346 -0.744 1.227 196 HE2 MET 84 1HE MET 84 0.493 0.697 2.230 197 HE3 MET 84 2HE MET 84 -0.800 -0.464 2.537 198 H GLY 85 H GLY 85 -0.512 3.679 5.512 199 HA2 GLY 85 2HA GLY 85 1.130 5.742 4.643 200 HA3 GLY 85 1HA GLY 85 -0.532 5.929 5.144 201 H LYS 86 H LYS 86 0.227 4.986 7.917 202 HA LYS 86 HA LYS 86 1.086 7.601 8.938 203 HB2 LYS 86 2HB LYS 86 0.253 6.815 11.110 204 HB3 LYS 86 1HB LYS 86 -0.981 6.582 9.874 205 HG2 LYS 86 2HG LYS 86 -0.327 4.185 9.721 206 HG3 LYS 86 1HG LYS 86 0.841 4.444 11.021 207 HD2 LYS 86 2HD LYS 86 -1.033 5.063 12.548 208 HD3 LYS 86 1HD LYS 86 -2.187 4.748 11.244 209 HE2 LYS 86 2HE LYS 86 -1.347 2.381 11.157 210 HE3 LYS 86 1HE LYS 86 -0.326 2.732 12.552 211 HZ1 LYS 86 3HZ LYS 86 -2.378 1.629 13.187 212 HZ2 LYS 86 1HZ LYS 86 -3.299 2.873 12.506 213 HZ3 LYS 86 2HZ LYS 86 -2.316 3.182 13.846 214 H GLU 87 H GLU 87 2.201 4.276 8.645 215 HA GLU 87 HA GLU 87 4.291 4.447 10.655 216 HB2 GLU 87 2HB GLU 87 3.637 2.273 8.610 217 HB3 GLU 87 1HB GLU 87 4.875 2.128 9.863 218 HG2 GLU 87 2HG GLU 87 3.158 2.344 11.602 219 HG3 GLU 87 1HG GLU 87 1.913 2.523 10.369 220 H ILE 88 H ILE 88 4.035 5.498 7.484 221 HA ILE 88 HA ILE 88 6.670 5.069 6.484 222 HB ILE 88 HB ILE 88 4.625 7.235 5.820 223 HG12 ILE 88 2HG1 ILE 88 5.284 4.680 4.290 224 HG13 ILE 88 1HG1 ILE 88 3.944 4.838 5.415 225 HG21 ILE 88 1HG2 ILE 88 7.159 6.494 4.312 226 HG22 ILE 88 2HG2 ILE 88 6.829 8.023 5.124 227 HG23 ILE 88 3HG2 ILE 88 5.900 7.570 3.696 228 HD11 ILE 88 3HD1 ILE 88 3.214 5.041 3.128 229 HD12 ILE 88 1HD1 ILE 88 4.283 6.418 2.877 230 HD13 ILE 88 2HD1 ILE 88 2.933 6.536 4.011 231 H ARG 89 H ARG 89 5.203 7.551 8.543 232 HA ARG 89 HA ARG 89 7.324 9.423 8.458 233 HB2 ARG 89 2HB ARG 89 5.173 10.218 9.144 234 HB3 ARG 89 1HB ARG 89 5.076 9.048 10.455 235 HG2 ARG 89 2HG ARG 89 6.929 10.208 11.625 236 HG3 ARG 89 1HG ARG 89 7.006 11.384 10.314 237 HD2 ARG 89 2HD ARG 89 4.836 12.254 10.865 238 HD3 ARG 89 1HD ARG 89 4.527 10.937 12.000 239 HE ARG 89 HE ARG 89 6.675 11.974 13.117 240 HH11 ARG 89 1HH1 ARG 89 3.946 13.746 11.775 241 HH12 ARG 89 2HH1 ARG 89 4.118 15.075 12.874 242 HH21 ARG 89 1HH2 ARG 89 6.858 13.696 14.577 243 HH22 ARG 89 2HH2 ARG 89 5.771 15.042 14.466 244 HA PRO 90 HA PRO 90 9.144 7.417 12.535 245 HB2 PRO 90 2HB PRO 90 8.370 4.787 13.111 246 HB3 PRO 90 1HB PRO 90 7.715 6.236 13.898 247 HG2 PRO 90 2HG PRO 90 6.561 4.625 11.657 248 HG3 PRO 90 1HG PRO 90 5.744 5.372 13.049 249 HD2 PRO 90 2HD PRO 90 5.658 6.500 10.595 250 HD3 PRO 90 1HD PRO 90 5.699 7.488 12.068 251 H THR 91 H THR 91 8.378 5.257 9.793 252 HA THR 91 HA THR 91 10.845 3.896 9.545 253 HB THR 91 HB THR 91 8.873 4.807 7.415 254 HG1 THR 91 HG1 THR 91 7.832 3.105 8.057 255 HG21 THR 91 3HG2 THR 91 11.038 4.410 6.299 256 HG22 THR 91 1HG2 THR 91 9.887 3.133 5.900 257 HG23 THR 91 2HG2 THR 91 11.160 2.833 7.082 258 H TYR 92 H TYR 92 9.771 6.978 8.174 259 HA TYR 92 HA TYR 92 12.159 7.742 6.900 260 HB2 TYR 92 2HB TYR 92 9.920 8.672 6.326 261 HB3 TYR 92 1HB TYR 92 9.846 9.477 7.891 262 HD1 TYR 92 HD2 TYR 92 12.148 9.212 4.944 263 HD2 TYR 92 HD1 TYR 92 10.457 11.773 7.910 264 HE1 TYR 92 HE2 TYR 92 13.363 11.105 4.003 265 HE2 TYR 92 HE1 TYR 92 11.688 13.680 6.962 266 HH TYR 92 HH TYR 92 13.589 13.363 4.007 267 H ALA 93 H ALA 93 11.156 7.882 10.228 268 HA ALA 93 HA ALA 93 13.198 9.818 11.027 269 HB1 ALA 93 3HB ALA 93 11.171 8.273 12.677 270 HB2 ALA 93 1HB ALA 93 10.958 9.908 12.040 271 HB3 ALA 93 2HB ALA 93 12.198 9.591 13.255 272 H GLY 94 H GLY 94 13.429 6.692 10.133 273 HA2 GLY 94 2HA GLY 94 15.364 5.445 10.241 274 HA3 GLY 94 1HA GLY 94 15.894 6.334 11.653 275 H SER 95 H SER 95 12.752 5.246 12.250 276 HA SER 95 HA SER 95 13.577 3.168 14.013 277 HB2 SER 95 2HB SER 95 10.775 3.874 13.058 278 HB3 SER 95 1HB SER 95 11.169 2.856 14.451 279 HG SER 95 HG SER 95 12.501 4.935 14.966 280 H LYS 96 H LYS 96 14.429 1.337 13.195 281 HA LYS 96 HA LYS 96 13.735 -0.105 10.910 282 HB2 LYS 96 2HB LYS 96 14.898 -2.038 11.988 283 HB3 LYS 96 1HB LYS 96 15.817 -0.540 12.069 284 HG2 LYS 96 2HG LYS 96 15.145 -0.224 14.413 285 HG3 LYS 96 1HG LYS 96 14.188 -1.705 14.360 286 HD2 LYS 96 2HD LYS 96 17.196 -1.660 13.880 287 HD3 LYS 96 1HD LYS 96 16.487 -1.839 15.483 288 HE2 LYS 96 2HE LYS 96 17.062 -4.035 14.670 289 HE3 LYS 96 1HE LYS 96 15.307 -3.906 14.678 290 HZ1 LYS 96 3HZ LYS 96 16.207 -4.986 12.679 291 HZ2 LYS 96 1HZ LYS 96 17.013 -3.562 12.269 292 HZ3 LYS 96 2HZ LYS 96 15.325 -3.597 12.309 293 H SER 97 H SER 97 12.226 -0.091 14.069 294 HA SER 97 HA SER 97 10.734 -2.478 13.925 295 HB2 SER 97 2HB SER 97 9.285 -1.341 15.682 296 HB3 SER 97 1HB SER 97 11.008 -1.367 16.053 297 HG SER 97 HG SER 97 9.782 0.696 16.304 298 H ALA 98 H ALA 98 9.813 0.881 13.184 299 HA ALA 98 HA ALA 98 7.238 0.325 12.133 300 HB1 ALA 98 3HB ALA 98 7.284 2.655 11.361 301 HB2 ALA 98 1HB ALA 98 9.018 2.738 11.686 302 HB3 ALA 98 2HB ALA 98 7.879 2.526 13.019 303 H MET 99 H MET 99 10.443 0.602 10.673 304 HA MET 99 HA MET 99 9.697 0.742 7.958 305 HB2 MET 99 2HB MET 99 11.920 1.396 8.794 306 HB3 MET 99 1HB MET 99 12.261 -0.263 9.255 307 HG2 MET 99 2HG MET 99 11.733 0.517 6.388 308 HG3 MET 99 1HG MET 99 13.337 0.607 7.103 309 HE1 MET 99 3HE MET 99 14.050 -3.178 7.918 310 HE2 MET 99 1HE MET 99 13.307 -2.026 9.027 311 HE3 MET 99 2HE MET 99 14.671 -1.531 8.021 312 H GLU 100 H GLU 100 10.572 -2.022 10.018 313 HA GLU 100 HA GLU 100 10.388 -4.038 8.029 314 HB2 GLU 100 2HB GLU 100 11.583 -4.292 10.223 315 HB3 GLU 100 1HB GLU 100 10.025 -4.318 11.044 316 HG2 GLU 100 2HG GLU 100 9.437 -6.377 9.704 317 HG3 GLU 100 1HG GLU 100 11.085 -6.379 9.077 318 H ARG 101 H ARG 101 8.101 -2.651 10.319 319 HA ARG 101 HA ARG 101 5.934 -4.458 9.821 320 HB2 ARG 101 2HB ARG 101 6.417 -2.736 11.837 321 HB3 ARG 101 1HB ARG 101 5.417 -1.668 10.867 322 HG2 ARG 101 2HG ARG 101 4.595 -4.386 11.958 323 HG3 ARG 101 1HG ARG 101 4.127 -2.823 12.621 324 HD2 ARG 101 2HD ARG 101 2.958 -2.326 10.458 325 HD3 ARG 101 1HD ARG 101 3.323 -3.964 9.920 326 HE ARG 101 HE ARG 101 2.010 -4.690 11.949 327 HH11 ARG 101 1HH1 ARG 101 1.291 -1.676 10.282 328 HH12 ARG 101 2HH1 ARG 101 -0.376 -1.666 10.765 329 HH21 ARG 101 1HH2 ARG 101 -0.157 -4.655 12.588 330 HH22 ARG 101 2HH2 ARG 101 -1.190 -3.364 12.078 331 H LEU 102 H LEU 102 7.000 -1.405 8.461 332 HA LEU 102 HA LEU 102 4.721 -0.765 6.899 333 HB2 LEU 102 2HB LEU 102 6.570 0.825 7.547 334 HB3 LEU 102 1HB LEU 102 7.633 0.001 6.420 335 HG LEU 102 HG LEU 102 6.184 0.726 4.524 336 HD11 LEU 102 1HD1 LEU 102 4.607 2.225 6.619 337 HD12 LEU 102 2HD1 LEU 102 4.050 0.833 5.683 338 HD13 LEU 102 3HD1 LEU 102 4.407 2.353 4.868 339 HD21 LEU 102 3HD2 LEU 102 8.092 2.128 5.182 340 HD22 LEU 102 1HD2 LEU 102 7.051 3.035 6.285 341 HD23 LEU 102 2HD2 LEU 102 6.765 3.095 4.542 342 H LYS 103 H LYS 103 7.801 -2.427 6.126 343 HA LYS 103 HA LYS 103 7.201 -3.055 3.426 344 HB2 LYS 103 2HB LYS 103 9.132 -4.435 5.334 345 HB3 LYS 103 1HB LYS 103 9.060 -4.706 3.599 346 HG2 LYS 103 2HG LYS 103 9.556 -2.198 3.350 347 HG3 LYS 103 1HG LYS 103 9.967 -2.223 5.062 348 HD2 LYS 103 2HD LYS 103 11.314 -3.839 2.858 349 HD3 LYS 103 1HD LYS 103 11.968 -2.403 3.639 350 HE2 LYS 103 2HE LYS 103 13.109 -4.162 4.698 351 HE3 LYS 103 1HE LYS 103 11.823 -3.791 5.842 352 HZ1 LYS 103 3HZ LYS 103 10.581 -5.679 5.006 353 HZ2 LYS 103 1HZ LYS 103 12.116 -6.171 5.497 354 HZ3 LYS 103 2HZ LYS 103 11.770 -5.997 3.855 355 H ARG 104 H ARG 104 6.789 -4.870 6.457 356 HA ARG 104 HA ARG 104 5.780 -7.296 5.450 357 HB2 ARG 104 2HB ARG 104 6.525 -6.976 7.798 358 HB3 ARG 104 1HB ARG 104 5.188 -5.870 8.085 359 HG2 ARG 104 2HG ARG 104 3.595 -7.754 7.715 360 HG3 ARG 104 1HG ARG 104 4.966 -8.842 7.504 361 HD2 ARG 104 2HD ARG 104 5.669 -8.501 9.797 362 HD3 ARG 104 1HD ARG 104 4.467 -7.229 10.026 363 HE ARG 104 HE ARG 104 2.777 -9.079 9.581 364 HH11 ARG 104 1HH1 ARG 104 5.858 -9.726 11.185 365 HH12 ARG 104 2HH1 ARG 104 5.243 -11.088 12.066 366 HH21 ARG 104 1HH2 ARG 104 1.994 -10.853 10.757 367 HH22 ARG 104 2HH2 ARG 104 3.051 -11.722 11.824 368 H GLY 105 H GLY 105 4.286 -4.198 6.171 369 HA2 GLY 105 2HA GLY 105 1.575 -4.844 5.757 370 HA3 GLY 105 1HA GLY 105 2.294 -3.247 5.638 371 H ILE 106 H ILE 106 4.124 -3.691 3.549 372 HA ILE 106 HA ILE 106 2.506 -3.521 1.233 373 HB ILE 106 HB ILE 106 5.446 -3.434 1.807 374 HG12 ILE 106 2HG1 ILE 106 5.325 -1.450 0.218 375 HG13 ILE 106 1HG1 ILE 106 3.608 -1.769 0.038 376 HG21 ILE 106 1HG2 ILE 106 6.173 -3.571 -0.545 377 HG22 ILE 106 2HG2 ILE 106 4.551 -4.087 -1.010 378 HG23 ILE 106 3HG2 ILE 106 5.540 -5.108 0.036 379 HD11 ILE 106 3HD1 ILE 106 5.042 -0.951 2.545 380 HD12 ILE 106 1HD1 ILE 106 3.324 -1.322 2.440 381 HD13 ILE 106 2HD1 ILE 106 3.986 0.045 1.549 382 H ILE 107 H ILE 107 4.387 -6.218 2.621 383 HA ILE 107 HA ILE 107 4.106 -8.014 0.431 384 HB ILE 107 HB ILE 107 4.540 -8.693 3.386 385 HG12 ILE 107 2HG1 ILE 107 6.596 -8.337 1.148 386 HG13 ILE 107 1HG1 ILE 107 6.280 -7.167 2.418 387 HG21 ILE 107 1HG2 ILE 107 3.776 -10.668 2.126 388 HG22 ILE 107 2HG2 ILE 107 5.474 -10.843 2.570 389 HG23 ILE 107 3HG2 ILE 107 5.038 -10.406 0.916 390 HD11 ILE 107 3HD1 ILE 107 8.301 -8.414 2.853 391 HD12 ILE 107 1HD1 ILE 107 7.411 -9.935 2.817 392 HD13 ILE 107 2HD1 ILE 107 7.092 -8.752 4.090 393 H HIS 108 H HIS 108 2.234 -7.501 3.381 394 HA HIS 108 HA HIS 108 0.185 -9.414 2.948 395 HB2 HIS 108 2HB HIS 108 0.641 -8.383 5.174 396 HB3 HIS 108 1HB HIS 108 0.049 -6.839 4.574 397 HD1 HIS 108 HD1 HIS 108 -2.147 -6.452 5.691 398 HD2 HIS 108 HD2 HIS 108 -1.718 -10.414 4.508 399 HE1 HIS 108 HE1 HIS 108 -4.328 -7.571 6.258 400 HE2 HIS 108 HE2 HIS 108 -4.044 -9.959 5.523 401 H ALA 109 H ALA 109 0.469 -5.974 2.094 402 HA ALA 109 HA ALA 109 -2.217 -5.575 1.295 403 HB1 ALA 109 3HB ALA 109 0.246 -3.973 0.524 404 HB2 ALA 109 1HB ALA 109 -0.753 -3.713 1.958 405 HB3 ALA 109 2HB ALA 109 -1.435 -3.447 0.352 406 H ARG 110 H ARG 110 0.744 -6.357 -0.531 407 HA ARG 110 HA ARG 110 -0.431 -6.175 -3.129 408 HB2 ARG 110 2HB ARG 110 2.045 -5.949 -2.544 409 HB3 ARG 110 1HB ARG 110 2.101 -7.690 -2.353 410 HG2 ARG 110 2HG ARG 110 1.185 -6.467 -4.968 411 HG3 ARG 110 1HG ARG 110 2.904 -6.578 -4.598 412 HD2 ARG 110 2HD ARG 110 0.987 -8.933 -4.701 413 HD3 ARG 110 1HD ARG 110 2.084 -8.461 -5.998 414 HE ARG 110 HE ARG 110 3.918 -8.844 -4.289 415 HH11 ARG 110 1HH1 ARG 110 0.908 -10.663 -4.188 416 HH12 ARG 110 2HH1 ARG 110 1.626 -12.035 -3.415 417 HH21 ARG 110 1HH2 ARG 110 4.839 -10.645 -3.272 418 HH22 ARG 110 2HH2 ARG 110 3.855 -12.020 -2.895 419 H ALA 111 H ALA 111 -0.077 -8.693 -0.723 420 HA ALA 111 HA ALA 111 -0.817 -10.930 -2.343 421 HB1 ALA 111 3HB ALA 111 0.399 -11.217 -0.228 422 HB2 ALA 111 1HB ALA 111 -1.128 -12.103 -0.196 423 HB3 ALA 111 2HB ALA 111 -0.977 -10.569 0.670 424 H LEU 112 H LEU 112 -2.545 -8.614 -0.309 425 HA LEU 112 HA LEU 112 -5.148 -9.737 -0.491 426 HB2 LEU 112 2HB LEU 112 -4.189 -6.922 0.112 427 HB3 LEU 112 1HB LEU 112 -5.896 -7.344 0.115 428 HG LEU 112 HG LEU 112 -3.807 -8.596 1.945 429 HD11 LEU 112 1HD1 LEU 112 -4.121 -6.243 2.479 430 HD12 LEU 112 2HD1 LEU 112 -4.820 -7.266 3.730 431 HD13 LEU 112 3HD1 LEU 112 -5.871 -6.471 2.555 432 HD21 LEU 112 3HD2 LEU 112 -5.680 -10.109 1.501 433 HD22 LEU 112 1HD2 LEU 112 -6.834 -8.849 1.955 434 HD23 LEU 112 2HD2 LEU 112 -5.729 -9.519 3.160 435 H VAL 113 H VAL 113 -3.583 -7.050 -2.300 436 HA VAL 113 HA VAL 113 -5.642 -6.443 -4.084 437 HB VAL 113 HB VAL 113 -2.654 -6.254 -4.722 438 HG11 VAL 113 1HG1 VAL 113 -3.316 -4.431 -6.281 439 HG12 VAL 113 2HG1 VAL 113 -5.015 -4.743 -5.913 440 HG13 VAL 113 3HG1 VAL 113 -4.045 -5.973 -6.729 441 HG21 VAL 113 3HG2 VAL 113 -4.419 -4.126 -3.465 442 HG22 VAL 113 1HG2 VAL 113 -2.720 -3.940 -3.912 443 HG23 VAL 113 2HG2 VAL 113 -3.180 -5.051 -2.625 444 H ARG 114 H ARG 114 -3.123 -8.901 -4.213 445 HA ARG 114 HA ARG 114 -3.462 -9.863 -6.834 446 HB2 ARG 114 2HB ARG 114 -1.482 -10.369 -5.483 447 HB3 ARG 114 1HB ARG 114 -2.455 -11.216 -4.297 448 HG2 ARG 114 2HG ARG 114 -1.186 -12.782 -5.652 449 HG3 ARG 114 1HG ARG 114 -2.913 -13.004 -5.922 450 HD2 ARG 114 2HD ARG 114 -1.235 -11.312 -7.797 451 HD3 ARG 114 1HD ARG 114 -1.318 -13.061 -7.978 452 HE ARG 114 HE ARG 114 -3.327 -11.133 -8.690 453 HH11 ARG 114 1HH1 ARG 114 -2.849 -14.525 -7.835 454 HH12 ARG 114 2HH1 ARG 114 -4.309 -15.046 -8.608 455 HH21 ARG 114 1HH2 ARG 114 -5.245 -11.848 -9.670 456 HH22 ARG 114 2HH2 ARG 114 -5.660 -13.530 -9.645 457 H GLU 115 H GLU 115 -4.852 -11.024 -3.717 458 HA GLU 115 HA GLU 115 -6.429 -13.106 -4.898 459 HB2 GLU 115 2HB GLU 115 -6.480 -11.827 -2.132 460 HB3 GLU 115 1HB GLU 115 -7.416 -13.260 -2.571 461 HG2 GLU 115 2HG GLU 115 -5.385 -14.535 -2.973 462 HG3 GLU 115 1HG GLU 115 -4.387 -13.099 -2.753 463 H CYS 116 H CYS 116 -6.913 -9.726 -4.299 464 HA CYS 116 HA CYS 116 -9.798 -9.718 -4.636 465 HB2 CYS 116 2HB CYS 116 -7.795 -7.430 -4.531 466 HB3 CYS 116 1HB CYS 116 -9.550 -7.256 -4.519 467 HG CYS 116 HG CYS 116 -9.994 -8.082 -2.042 468 H LEU 117 H LEU 117 -6.919 -9.249 -6.614 469 HA LEU 117 HA LEU 117 -8.131 -8.170 -8.940 470 HB2 LEU 117 2HB LEU 117 -5.515 -9.526 -8.354 471 HB3 LEU 117 1HB LEU 117 -6.002 -9.436 -10.037 472 HG LEU 117 HG LEU 117 -5.791 -6.969 -8.270 473 HD11 LEU 117 1HD1 LEU 117 -3.597 -8.037 -8.383 474 HD12 LEU 117 2HD1 LEU 117 -3.632 -6.522 -9.283 475 HD13 LEU 117 3HD1 LEU 117 -3.691 -8.061 -10.148 476 HD21 LEU 117 3HD2 LEU 117 -5.767 -5.743 -10.359 477 HD22 LEU 117 1HD2 LEU 117 -7.206 -6.756 -10.299 478 HD23 LEU 117 2HD2 LEU 117 -5.826 -7.238 -11.292 479 H ALA 118 H ALA 118 -7.682 -11.414 -7.710 480 HA ALA 118 HA ALA 118 -8.360 -13.004 -9.869 481 HB1 ALA 118 3HB ALA 118 -7.548 -13.887 -7.716 482 HB2 ALA 118 1HB ALA 118 -9.050 -14.686 -8.194 483 HB3 ALA 118 2HB ALA 118 -9.070 -13.438 -6.945 484 H GLU 119 H GLU 119 -10.584 -11.398 -7.511 485 HA GLU 119 HA GLU 119 -12.939 -12.356 -8.911 486 HB2 GLU 119 2HB GLU 119 -14.200 -11.404 -7.143 487 HB3 GLU 119 1HB GLU 119 -12.779 -12.111 -6.395 488 HG2 GLU 119 2HG GLU 119 -11.792 -9.946 -6.048 489 HG3 GLU 119 1HG GLU 119 -13.027 -9.157 -7.025 490 H THR 120 H THR 120 -11.221 -9.284 -8.546 491 HA THR 120 HA THR 120 -12.864 -7.494 -9.899 492 HB THR 120 HB THR 120 -9.820 -7.594 -9.730 493 HG1 THR 120 HG1 THR 120 -11.776 -6.077 -8.315 494 HG21 THR 120 3HG2 THR 120 -10.435 -6.126 -11.630 495 HG22 THR 120 1HG2 THR 120 -9.818 -5.183 -10.274 496 HG23 THR 120 2HG2 THR 120 -11.553 -5.245 -10.585 497 H GLU 121 H GLU 121 -10.718 -9.951 -11.175 498 HA GLU 121 HA GLU 121 -10.723 -9.137 -13.903 499 HB2 GLU 121 2HB GLU 121 -9.044 -10.667 -12.846 500 HB3 GLU 121 1HB GLU 121 -10.289 -11.910 -12.744 501 HG2 GLU 121 2HG GLU 121 -10.486 -11.885 -15.222 502 HG3 GLU 121 1HG GLU 121 -9.199 -10.680 -15.295 503 H ARG 122 H ARG 122 -12.766 -11.333 -11.957 504 HA ARG 122 HA ARG 122 -14.359 -12.288 -14.135 505 HB2 ARG 122 2HB ARG 122 -14.176 -13.552 -12.024 506 HB3 ARG 122 1HB ARG 122 -14.935 -12.229 -11.139 507 HG2 ARG 122 2HG ARG 122 -17.043 -12.583 -12.333 508 HG3 ARG 122 1HG ARG 122 -16.293 -13.815 -13.347 509 HD2 ARG 122 2HD ARG 122 -15.998 -15.274 -11.412 510 HD3 ARG 122 1HD ARG 122 -16.646 -14.028 -10.339 511 HE ARG 122 HE ARG 122 -18.719 -14.285 -11.900 512 HH11 ARG 122 1HH1 ARG 122 -16.670 -16.941 -10.795 513 HH12 ARG 122 2HH1 ARG 122 -17.951 -18.107 -10.849 514 HH21 ARG 122 1HH2 ARG 122 -20.400 -15.824 -11.919 515 HH22 ARG 122 2HH2 ARG 122 -20.065 -17.467 -11.483 516 H ASN 123 H ASN 123 -14.529 -9.540 -11.947 517 HA ASN 123 HA ASN 123 -17.160 -8.651 -12.628 518 HB2 ASN 123 2HB ASN 123 -14.809 -7.200 -11.335 519 HB3 ASN 123 1HB ASN 123 -16.424 -6.508 -11.481 520 HD21 ASN 123 1HD2 ASN 123 -14.895 -7.092 -9.076 521 HD22 ASN 123 2HD2 ASN 123 -15.860 -8.174 -8.138 522 H ALA 124 H ALA 124 -17.753 -6.874 -13.887 523 HA ALA 124 HA ALA 124 -16.526 -6.707 -16.440 524 HB1 ALA 124 3HB ALA 124 -18.725 -4.983 -15.239 525 HB2 ALA 124 1HB ALA 124 -18.964 -6.492 -16.123 526 HB3 ALA 124 2HB ALA 124 -18.314 -5.075 -16.954 527 H ARG 125 H ARG 125 -14.989 -5.402 -17.156 528 HA ARG 125 HA ARG 125 -14.257 -2.900 -15.755 529 HB2 ARG 125 2HB ARG 125 -11.779 -3.631 -16.194 530 HB3 ARG 125 1HB ARG 125 -12.638 -4.326 -14.829 531 HG2 ARG 125 2HG ARG 125 -11.397 -6.090 -15.834 532 HG3 ARG 125 1HG ARG 125 -13.095 -6.377 -16.220 533 HD2 ARG 125 2HD ARG 125 -12.591 -5.235 -18.484 534 HD3 ARG 125 1HD ARG 125 -10.888 -5.380 -18.049 535 HE ARG 125 HE ARG 125 -12.020 -7.896 -17.754 536 HH11 ARG 125 1HH1 ARG 125 -11.413 -5.641 -20.392 537 HH12 ARG 125 2HH1 ARG 125 -11.287 -6.888 -21.588 538 HH21 ARG 125 1HH2 ARG 125 -11.855 -9.507 -19.352 539 HH22 ARG 125 2HH2 ARG 125 -11.533 -9.072 -20.996 540 H THR 126 H THR 126 -13.259 -1.328 -17.042 541 HA THR 126 HA THR 126 -13.000 -1.823 -19.946 542 HB THR 126 HB THR 126 -13.533 0.849 -18.552 543 HG1 THR 126 HG1 THR 126 -15.287 -0.911 -18.785 544 HG21 THR 126 3HG2 THR 126 -13.959 1.710 -20.842 545 HG22 THR 126 1HG2 THR 126 -13.511 0.143 -21.515 546 HG23 THR 126 2HG2 THR 126 -12.298 1.128 -20.690 547 H1 SER 58 1H SER 58 8.359 -23.665 -2.405 548 H2 SER 58 2H SER 58 7.829 -23.198 -3.936 549 H3 SER 58 3H SER 58 6.735 -23.266 -2.650 550 HA SER 58 HA SER 58 7.858 -21.496 -1.521 551 HB2 SER 58 2HB SER 58 9.661 -21.450 -3.982 552 HB3 SER 58 1HB SER 58 9.709 -20.278 -2.664 553 HG SER 58 HG SER 58 11.247 -22.105 -2.617 554 H HIS 59 H HIS 59 7.524 -19.176 -2.115 555 HA HIS 59 HA HIS 59 5.123 -18.891 -3.683 556 HB2 HIS 59 2HB HIS 59 6.794 -16.778 -2.255 557 HB3 HIS 59 1HB HIS 59 5.199 -16.510 -2.953 558 HD1 HIS 59 HD1 HIS 59 6.637 -16.953 0.195 559 HD2 HIS 59 HD2 HIS 59 3.294 -18.579 -1.657 560 HE1 HIS 59 HE1 HIS 59 5.175 -17.782 2.055 561 HE2 HIS 59 HE2 HIS 59 3.056 -18.510 0.909 562 H MET 60 H MET 60 5.402 -18.989 -5.857 563 HA MET 60 HA MET 60 7.441 -17.579 -7.323 564 HB2 MET 60 2HB MET 60 4.768 -18.736 -8.256 565 HB3 MET 60 1HB MET 60 6.027 -18.123 -9.322 566 HG2 MET 60 2HG MET 60 7.555 -19.906 -8.392 567 HG3 MET 60 1HG MET 60 6.153 -20.585 -7.565 568 HE1 MET 60 3HE MET 60 3.872 -21.542 -10.680 569 HE2 MET 60 1HE MET 60 3.833 -20.036 -9.767 570 HE3 MET 60 2HE MET 60 3.984 -21.576 -8.920 571 H ALA 61 H ALA 61 7.071 -15.689 -8.668 572 HA ALA 61 HA ALA 61 5.483 -13.639 -7.430 573 HB1 ALA 61 3HB ALA 61 6.331 -12.178 -9.237 574 HB2 ALA 61 1HB ALA 61 7.009 -13.588 -10.060 575 HB3 ALA 61 2HB ALA 61 7.635 -13.100 -8.485 576 H MET 62 H MET 62 3.406 -14.555 -7.522 577 HA MET 62 HA MET 62 2.002 -15.268 -9.889 578 HB2 MET 62 2HB MET 62 1.016 -14.453 -7.125 579 HB3 MET 62 1HB MET 62 -0.050 -15.023 -8.404 580 HG2 MET 62 2HG MET 62 2.222 -16.647 -7.225 581 HG3 MET 62 1HG MET 62 0.534 -16.765 -6.729 582 HE1 MET 62 3HE MET 62 1.013 -20.126 -8.719 583 HE2 MET 62 1HE MET 62 0.589 -19.396 -7.172 584 HE3 MET 62 2HE MET 62 2.258 -19.349 -7.741 585 H LYS 63 H LYS 63 2.167 -13.708 -11.415 586 HA LYS 63 HA LYS 63 0.647 -11.203 -11.011 587 HB2 LYS 63 2HB LYS 63 3.240 -11.450 -12.610 588 HB3 LYS 63 1HB LYS 63 2.257 -9.994 -12.450 589 HG2 LYS 63 2HG LYS 63 2.806 -9.814 -10.090 590 HG3 LYS 63 1HG LYS 63 3.649 -11.369 -10.127 591 HD2 LYS 63 2HD LYS 63 5.312 -10.393 -11.720 592 HD3 LYS 63 1HD LYS 63 4.476 -8.840 -11.609 593 HE2 LYS 63 2HE LYS 63 5.791 -10.294 -9.292 594 HE3 LYS 63 1HE LYS 63 6.472 -8.916 -10.160 595 HZ1 LYS 63 3HZ LYS 63 4.587 -7.573 -9.424 596 HZ2 LYS 63 1HZ LYS 63 5.427 -8.220 -8.110 597 HZ3 LYS 63 2HZ LYS 63 3.950 -8.890 -8.577 598 HA PRO 64 HA PRO 64 -1.207 -13.644 -14.626 599 HB2 PRO 64 2HB PRO 64 -3.543 -12.140 -13.420 600 HB3 PRO 64 1HB PRO 64 -3.486 -13.795 -14.076 601 HG2 PRO 64 2HG PRO 64 -3.531 -13.453 -11.457 602 HG3 PRO 64 1HG PRO 64 -2.437 -14.666 -12.165 603 HD2 PRO 64 2HD PRO 64 -1.775 -11.903 -11.141 604 HD3 PRO 64 1HD PRO 64 -0.883 -13.427 -10.928 605 HA PRO 65 HA PRO 65 -0.077 -9.781 -16.650 606 HB2 PRO 65 2HB PRO 65 -0.474 -10.588 -19.289 607 HB3 PRO 65 1HB PRO 65 0.955 -10.999 -18.320 608 HG2 PRO 65 2HG PRO 65 -1.500 -12.657 -18.838 609 HG3 PRO 65 1HG PRO 65 0.212 -13.146 -18.884 610 HD2 PRO 65 2HD PRO 65 -1.306 -13.701 -16.747 611 HD3 PRO 65 1HD PRO 65 0.395 -13.219 -16.543 612 H GLY 66 H GLY 66 -1.760 -8.494 -15.874 613 HA2 GLY 66 2HA GLY 66 -4.383 -8.328 -17.076 614 HA3 GLY 66 1HA GLY 66 -3.666 -7.209 -15.925 615 H ALA 67 H ALA 67 -3.139 -5.220 -16.668 616 HA ALA 67 HA ALA 67 -2.594 -3.470 -17.953 617 HB1 ALA 67 3HB ALA 67 -0.475 -4.705 -18.155 618 HB2 ALA 67 1HB ALA 67 -0.811 -3.742 -19.596 619 HB3 ALA 67 2HB ALA 67 -1.076 -5.488 -19.620 620 H GLN 68 H GLN 68 -2.803 -5.770 -20.680 621 HA GLN 68 HA GLN 68 -4.349 -4.034 -22.328 622 HB2 GLN 68 2HB GLN 68 -2.802 -5.764 -23.233 623 HB3 GLN 68 1HB GLN 68 -3.828 -7.032 -22.567 624 HG2 GLN 68 2HG GLN 68 -5.692 -6.166 -24.057 625 HG3 GLN 68 1HG GLN 68 -4.494 -5.111 -24.813 626 HE21 GLN 68 1HE2 GLN 68 -5.526 -8.431 -24.375 627 HE22 GLN 68 2HE2 GLN 68 -4.579 -9.103 -25.652 628 H GLY 69 H GLY 69 -6.268 -3.478 -21.216 629 HA2 GLY 69 2HA GLY 69 -8.536 -3.572 -21.024 630 HA3 GLY 69 1HA GLY 69 -8.526 -5.186 -21.708 631 H SER 70 H SER 70 -7.713 -6.912 -20.188 632 HA SER 70 HA SER 70 -9.482 -7.285 -18.121 633 HB2 SER 70 2HB SER 70 -6.787 -8.634 -18.544 634 HB3 SER 70 1HB SER 70 -8.120 -9.285 -17.581 635 HG SER 70 HG SER 70 -7.708 -9.756 -20.057 636 H GLN 71 H GLN 71 -9.641 -6.259 -16.270 637 HA GLN 71 HA GLN 71 -9.373 -5.494 -14.196 638 HB2 GLN 71 2HB GLN 71 -7.949 -6.817 -12.660 639 HB3 GLN 71 1HB GLN 71 -8.891 -7.840 -13.735 640 HG2 GLN 71 2HG GLN 71 -6.948 -8.389 -15.048 641 HG3 GLN 71 1HG GLN 71 -5.988 -7.151 -14.254 642 HE21 GLN 71 1HE2 GLN 71 -8.056 -9.330 -12.453 643 HE22 GLN 71 2HE2 GLN 71 -6.782 -10.236 -11.735 644 H SER 72 H SER 72 -7.278 -4.360 -16.331 645 HA SER 72 HA SER 72 -4.854 -3.833 -15.233 646 HB2 SER 72 2HB SER 72 -4.759 -2.002 -16.971 647 HB3 SER 72 1HB SER 72 -5.284 -3.576 -17.562 648 HG SER 72 HG SER 72 -6.627 -2.018 -18.364 649 H THR 73 H THR 73 -7.606 -1.569 -15.165 650 HA THR 73 HA THR 73 -6.688 0.576 -13.823 651 HB THR 73 HB THR 73 -9.020 0.433 -14.504 652 HG1 THR 73 HG1 THR 73 -9.969 1.057 -12.267 653 HG21 THR 73 3HG2 THR 73 -10.718 -0.841 -13.244 654 HG22 THR 73 1HG2 THR 73 -9.455 -1.511 -12.210 655 HG23 THR 73 2HG2 THR 73 -9.498 -1.922 -13.927 656 H TYR 74 H TYR 74 -7.640 -2.476 -12.231 657 HA TYR 74 HA TYR 74 -6.752 -1.593 -9.615 658 HB2 TYR 74 2HB TYR 74 -8.882 -2.886 -9.998 659 HB3 TYR 74 1HB TYR 74 -7.908 -4.276 -10.459 660 HD1 TYR 74 HD1 TYR 74 -7.678 -1.777 -7.667 661 HD2 TYR 74 HD2 TYR 74 -8.040 -5.878 -8.764 662 HE1 TYR 74 HE1 TYR 74 -7.529 -2.427 -5.316 663 HE2 TYR 74 HE2 TYR 74 -7.873 -6.524 -6.421 664 HH TYR 74 HH TYR 74 -8.052 -4.253 -3.875 665 H THR 75 H THR 75 -5.462 -3.456 -12.289 666 HA THR 75 HA THR 75 -3.508 -5.015 -10.901 667 HB THR 75 HB THR 75 -3.538 -4.068 -13.809 668 HG1 THR 75 HG1 THR 75 -5.225 -5.605 -12.735 669 HG21 THR 75 3HG2 THR 75 -1.931 -6.324 -12.551 670 HG22 THR 75 1HG2 THR 75 -1.269 -4.815 -13.182 671 HG23 THR 75 2HG2 THR 75 -2.022 -5.977 -14.279 672 H ASP 76 H ASP 76 -3.677 -1.758 -12.143 673 HA ASP 76 HA ASP 76 -1.099 -0.804 -11.925 674 HB2 ASP 76 2HB ASP 76 -2.946 0.562 -12.791 675 HB3 ASP 76 1HB ASP 76 -3.714 0.588 -11.210 676 H LEU 77 H LEU 77 -3.580 -1.176 -9.368 677 HA LEU 77 HA LEU 77 -2.123 -0.080 -7.244 678 HB2 LEU 77 2HB LEU 77 -4.547 -0.456 -7.112 679 HB3 LEU 77 1HB LEU 77 -4.298 -2.197 -7.130 680 HG LEU 77 HG LEU 77 -3.160 -2.106 -4.941 681 HD11 LEU 77 1HD1 LEU 77 -3.014 -0.036 -3.648 682 HD12 LEU 77 2HD1 LEU 77 -3.625 0.879 -5.031 683 HD13 LEU 77 3HD1 LEU 77 -2.069 0.047 -5.133 684 HD21 LEU 77 3HD2 LEU 77 -5.025 -1.423 -3.507 685 HD22 LEU 77 1HD2 LEU 77 -5.559 -2.383 -4.882 686 HD23 LEU 77 2HD2 LEU 77 -5.801 -0.634 -4.885 687 H LEU 78 H LEU 78 -2.316 -3.453 -8.402 688 HA LEU 78 HA LEU 78 -0.935 -4.800 -6.405 689 HB2 LEU 78 2HB LEU 78 -2.049 -5.777 -8.495 690 HB3 LEU 78 1HB LEU 78 -0.604 -5.334 -9.388 691 HG LEU 78 HG LEU 78 0.708 -6.836 -7.753 692 HD11 LEU 78 1HD1 LEU 78 -0.923 -6.957 -5.969 693 HD12 LEU 78 2HD1 LEU 78 -0.558 -8.571 -6.572 694 HD13 LEU 78 3HD1 LEU 78 -2.071 -7.783 -7.029 695 HD21 LEU 78 3HD2 LEU 78 0.231 -7.555 -10.051 696 HD22 LEU 78 1HD2 LEU 78 -1.329 -8.206 -9.537 697 HD23 LEU 78 2HD2 LEU 78 0.172 -8.911 -8.928 698 H SER 79 H SER 79 0.284 -3.045 -9.213 699 HA SER 79 HA SER 79 3.060 -3.454 -8.769 700 HB2 SER 79 2HB SER 79 1.711 -1.261 -10.389 701 HB3 SER 79 1HB SER 79 3.357 -1.896 -10.589 702 HG SER 79 HG SER 79 2.355 -3.935 -11.057 703 H VAL 80 H VAL 80 0.794 -0.776 -7.948 704 HA VAL 80 HA VAL 80 2.599 1.180 -7.100 705 HB VAL 80 HB VAL 80 -0.266 0.660 -6.145 706 HG11 VAL 80 1HG1 VAL 80 1.416 3.141 -5.581 707 HG12 VAL 80 2HG1 VAL 80 0.858 1.976 -4.380 708 HG13 VAL 80 3HG1 VAL 80 -0.311 2.980 -5.240 709 HG21 VAL 80 3HG2 VAL 80 0.828 2.709 -8.102 710 HG22 VAL 80 1HG2 VAL 80 -0.864 2.559 -7.618 711 HG23 VAL 80 2HG2 VAL 80 -0.083 1.262 -8.522 712 H ILE 81 H ILE 81 1.086 -1.460 -5.246 713 HA ILE 81 HA ILE 81 1.989 -0.871 -2.702 714 HB ILE 81 HB ILE 81 1.693 -3.687 -3.829 715 HG12 ILE 81 2HG1 ILE 81 -0.383 -2.366 -4.221 716 HG13 ILE 81 1HG1 ILE 81 -0.656 -3.623 -3.026 717 HG21 ILE 81 1HG2 ILE 81 1.566 -2.642 -0.972 718 HG22 ILE 81 2HG2 ILE 81 2.837 -3.645 -1.671 719 HG23 ILE 81 3HG2 ILE 81 1.216 -4.304 -1.466 720 HD11 ILE 81 3HD1 ILE 81 -1.771 -1.558 -2.437 721 HD12 ILE 81 1HD1 ILE 81 -0.238 -0.690 -2.461 722 HD13 ILE 81 2HD1 ILE 81 -0.527 -1.943 -1.248 723 H GLU 82 H GLU 82 3.636 -2.867 -5.173 724 HA GLU 82 HA GLU 82 6.017 -3.216 -3.588 725 HB2 GLU 82 2HB GLU 82 5.446 -3.900 -6.495 726 HB3 GLU 82 1HB GLU 82 6.968 -4.271 -5.679 727 HG2 GLU 82 2HG GLU 82 5.562 -5.536 -3.946 728 HG3 GLU 82 1HG GLU 82 4.212 -5.368 -5.067 729 H GLU 83 H GLU 83 5.014 -0.816 -5.925 730 HA GLU 83 HA GLU 83 7.554 0.348 -6.503 731 HB2 GLU 83 2HB GLU 83 4.724 1.476 -6.571 732 HB3 GLU 83 1HB GLU 83 6.124 2.442 -7.027 733 HG2 GLU 83 2HG GLU 83 5.181 -0.104 -8.381 734 HG3 GLU 83 1HG GLU 83 4.993 1.539 -8.998 735 H MET 84 H MET 84 5.184 0.751 -3.963 736 HA MET 84 HA MET 84 6.538 2.827 -2.514 737 HB2 MET 84 2HB MET 84 4.334 0.856 -1.734 738 HB3 MET 84 1HB MET 84 4.874 2.185 -0.719 739 HG2 MET 84 2HG MET 84 4.186 3.772 -2.516 740 HG3 MET 84 1HG MET 84 3.518 2.405 -3.408 741 HE1 MET 84 3HE MET 84 0.722 1.255 -0.731 742 HE2 MET 84 1HE MET 84 2.389 0.684 -0.783 743 HE3 MET 84 2HE MET 84 1.458 0.827 -2.276 744 H GLY 85 H GLY 85 6.292 -0.689 -2.417 745 HA2 GLY 85 2HA GLY 85 7.506 -1.216 0.047 746 HA3 GLY 85 1HA GLY 85 7.305 -2.356 -1.260 747 H LYS 86 H LYS 86 8.961 -0.612 -3.066 748 HA LYS 86 HA LYS 86 11.565 -1.667 -2.291 749 HB2 LYS 86 2HB LYS 86 12.310 -0.958 -4.516 750 HB3 LYS 86 1HB LYS 86 10.807 -1.862 -4.653 751 HG2 LYS 86 2HG LYS 86 9.563 0.280 -4.895 752 HG3 LYS 86 1HG LYS 86 11.094 1.156 -4.807 753 HD2 LYS 86 2HD LYS 86 11.857 -0.062 -6.868 754 HD3 LYS 86 1HD LYS 86 10.265 -0.822 -6.972 755 HE2 LYS 86 2HE LYS 86 9.255 1.475 -7.155 756 HE3 LYS 86 1HE LYS 86 10.889 2.144 -7.201 757 HZ1 LYS 86 3HZ LYS 86 9.980 1.906 -9.415 758 HZ2 LYS 86 1HZ LYS 86 9.712 0.254 -9.179 759 HZ3 LYS 86 2HZ LYS 86 11.292 0.857 -9.228 760 H GLU 87 H GLU 87 9.833 1.400 -2.500 761 HA GLU 87 HA GLU 87 12.220 3.011 -2.039 762 HB2 GLU 87 2HB GLU 87 9.359 3.745 -2.755 763 HB3 GLU 87 1HB GLU 87 10.568 4.960 -2.321 764 HG2 GLU 87 2HG GLU 87 12.024 4.136 -4.152 765 HG3 GLU 87 1HG GLU 87 10.769 2.981 -4.608 766 H ILE 88 H ILE 88 10.298 1.324 -0.030 767 HA ILE 88 HA ILE 88 10.168 3.054 2.231 768 HB ILE 88 HB ILE 88 10.458 0.015 2.088 769 HG12 ILE 88 2HG1 ILE 88 7.991 1.754 2.542 770 HG13 ILE 88 1HG1 ILE 88 8.402 0.940 1.039 771 HG21 ILE 88 1HG2 ILE 88 9.757 1.726 4.505 772 HG22 ILE 88 2HG2 ILE 88 11.225 0.771 4.292 773 HG23 ILE 88 3HG2 ILE 88 9.667 -0.039 4.450 774 HD11 ILE 88 3HD1 ILE 88 8.170 -1.219 2.134 775 HD12 ILE 88 1HD1 ILE 88 6.699 -0.258 2.233 776 HD13 ILE 88 2HD1 ILE 88 7.742 -0.409 3.644 777 H ARG 89 H ARG 89 12.739 1.117 0.772 778 HA ARG 89 HA ARG 89 14.600 1.215 2.904 779 HB2 ARG 89 2HB ARG 89 14.777 -0.479 1.158 780 HB3 ARG 89 1HB ARG 89 15.061 0.751 -0.059 781 HG2 ARG 89 2HG ARG 89 17.156 -0.331 0.461 782 HG3 ARG 89 1HG ARG 89 17.217 1.335 1.045 783 HD2 ARG 89 2HD ARG 89 16.764 0.552 3.340 784 HD3 ARG 89 1HD ARG 89 16.635 -1.110 2.758 785 HE ARG 89 HE ARG 89 19.083 0.484 3.050 786 HH11 ARG 89 1HH1 ARG 89 17.641 -2.589 2.074 787 HH12 ARG 89 2HH1 ARG 89 19.154 -3.438 2.100 788 HH21 ARG 89 1HH2 ARG 89 21.047 -0.680 3.135 789 HH22 ARG 89 2HH2 ARG 89 21.069 -2.360 2.703 790 HA PRO 90 HA PRO 90 16.648 5.150 0.843 791 HB2 PRO 90 2HB PRO 90 15.099 6.586 -1.004 792 HB3 PRO 90 1HB PRO 90 16.399 5.452 -1.426 793 HG2 PRO 90 2HG PRO 90 13.445 5.013 -1.407 794 HG3 PRO 90 1HG PRO 90 14.672 4.418 -2.548 795 HD2 PRO 90 2HD PRO 90 13.610 2.829 -0.617 796 HD3 PRO 90 1HD PRO 90 15.279 2.639 -1.181 797 H THR 91 H THR 91 13.067 5.231 1.247 798 HA THR 91 HA THR 91 12.792 7.724 2.539 799 HB THR 91 HB THR 91 11.240 5.133 2.896 800 HG1 THR 91 HG1 THR 91 10.241 5.819 1.187 801 HG21 THR 91 3HG2 THR 91 10.492 7.876 3.972 802 HG22 THR 91 1HG2 THR 91 10.875 6.454 4.942 803 HG23 THR 91 2HG2 THR 91 9.426 6.473 3.933 804 H TYR 92 H TYR 92 13.419 4.523 3.883 805 HA TYR 92 HA TYR 92 13.760 5.188 6.585 806 HB2 TYR 92 2HB TYR 92 13.308 2.901 5.754 807 HB3 TYR 92 1HB TYR 92 14.881 2.860 4.969 808 HD1 TYR 92 HD2 TYR 92 13.605 3.669 8.418 809 HD2 TYR 92 HD1 TYR 92 16.393 1.449 6.075 810 HE1 TYR 92 HE2 TYR 92 14.550 2.707 10.454 811 HE2 TYR 92 HE1 TYR 92 17.336 0.487 8.120 812 HH TYR 92 HH TYR 92 17.501 1.093 10.524 813 H ALA 93 H ALA 93 15.901 5.466 3.843 814 HA ALA 93 HA ALA 93 18.329 5.886 5.411 815 HB1 ALA 93 3HB ALA 93 17.833 6.126 2.421 816 HB2 ALA 93 1HB ALA 93 18.431 4.692 3.260 817 HB3 ALA 93 2HB ALA 93 19.411 6.158 3.219 818 H GLY 94 H GLY 94 15.697 7.788 4.956 819 HA2 GLY 94 2HA GLY 94 15.551 9.973 5.761 820 HA3 GLY 94 1HA GLY 94 17.243 10.248 5.397 821 H SER 95 H SER 95 15.883 8.891 2.641 822 HA SER 95 HA SER 95 15.822 11.352 1.193 823 HB2 SER 95 2HB SER 95 16.466 9.264 0.060 824 HB3 SER 95 1HB SER 95 14.864 8.586 0.348 825 HG SER 95 HG SER 95 14.927 9.386 -1.724 826 H LYS 96 H LYS 96 14.268 12.795 1.784 827 HA LYS 96 HA LYS 96 11.530 12.257 2.238 828 HB2 LYS 96 2HB LYS 96 11.133 14.617 2.099 829 HB3 LYS 96 1HB LYS 96 12.677 14.386 2.906 830 HG2 LYS 96 2HG LYS 96 13.863 15.014 0.833 831 HG3 LYS 96 1HG LYS 96 12.312 15.205 0.002 832 HD2 LYS 96 2HD LYS 96 11.719 16.979 1.729 833 HD3 LYS 96 1HD LYS 96 13.381 16.867 2.321 834 HE2 LYS 96 2HE LYS 96 13.127 18.755 0.763 835 HE3 LYS 96 1HE LYS 96 14.215 17.537 0.094 836 HZ1 LYS 96 3HZ LYS 96 12.585 18.415 -1.525 837 HZ2 LYS 96 1HZ LYS 96 11.331 17.762 -0.600 838 HZ3 LYS 96 2HZ LYS 96 12.467 16.741 -1.325 839 H SER 97 H SER 97 13.375 12.404 -0.689 840 HA SER 97 HA SER 97 11.324 13.027 -2.549 841 HB2 SER 97 2HB SER 97 13.904 11.440 -2.939 842 HB3 SER 97 1HB SER 97 12.907 12.117 -4.231 843 HG SER 97 HG SER 97 13.336 14.145 -2.748 844 H ALA 98 H ALA 98 12.761 9.899 -1.504 845 HA ALA 98 HA ALA 98 10.960 8.174 -2.813 846 HB1 ALA 98 3HB ALA 98 11.799 6.450 -1.274 847 HB2 ALA 98 1HB ALA 98 12.522 7.694 -0.253 848 HB3 ALA 98 2HB ALA 98 13.124 7.439 -1.894 849 H MET 99 H MET 99 10.900 9.646 0.404 850 HA MET 99 HA MET 99 8.562 8.418 1.416 851 HB2 MET 99 2HB MET 99 10.312 9.475 2.814 852 HB3 MET 99 1HB MET 99 9.892 11.051 2.174 853 HG2 MET 99 2HG MET 99 7.896 9.390 3.711 854 HG3 MET 99 1HG MET 99 9.047 10.447 4.522 855 HE1 MET 99 3HE MET 99 9.179 12.932 2.430 856 HE2 MET 99 1HE MET 99 9.110 13.090 4.187 857 HE3 MET 99 2HE MET 99 7.969 13.974 3.177 858 H GLU 100 H GLU 100 9.051 11.201 -0.651 859 HA GLU 100 HA GLU 100 6.485 12.408 -0.458 860 HB2 GLU 100 2HB GLU 100 8.450 13.591 -1.374 861 HB3 GLU 100 1HB GLU 100 8.534 12.464 -2.723 862 HG2 GLU 100 2HG GLU 100 6.311 13.300 -3.510 863 HG3 GLU 100 1HG GLU 100 6.315 14.469 -2.189 864 H ARG 101 H ARG 101 7.791 9.804 -2.400 865 HA ARG 101 HA ARG 101 5.336 9.464 -3.990 866 HB2 ARG 101 2HB ARG 101 7.630 9.081 -5.026 867 HB3 ARG 101 1HB ARG 101 7.781 7.645 -4.017 868 HG2 ARG 101 2HG ARG 101 5.704 6.728 -5.108 869 HG3 ARG 101 1HG ARG 101 5.687 8.139 -6.170 870 HD2 ARG 101 2HD ARG 101 7.942 7.445 -7.019 871 HD3 ARG 101 1HD ARG 101 7.823 5.989 -6.021 872 HE ARG 101 HE ARG 101 5.723 6.568 -8.003 873 HH11 ARG 101 1HH1 ARG 101 8.354 4.455 -7.013 874 HH12 ARG 101 2HH1 ARG 101 7.939 3.222 -8.148 875 HH21 ARG 101 1HH2 ARG 101 5.210 4.933 -9.480 876 HH22 ARG 101 2HH2 ARG 101 6.168 3.482 -9.542 877 H LEU 102 H LEU 102 6.871 8.137 -1.164 878 HA LEU 102 HA LEU 102 5.488 5.630 -1.095 879 HB2 LEU 102 2HB LEU 102 7.706 6.058 -0.036 880 HB3 LEU 102 1HB LEU 102 6.946 7.133 1.121 881 HG LEU 102 HG LEU 102 5.798 5.265 2.199 882 HD11 LEU 102 1HD1 LEU 102 5.277 3.896 0.261 883 HD12 LEU 102 2HD1 LEU 102 6.075 2.947 1.512 884 HD13 LEU 102 3HD1 LEU 102 6.982 3.466 0.087 885 HD21 LEU 102 3HD2 LEU 102 8.096 5.677 2.927 886 HD22 LEU 102 1HD2 LEU 102 8.701 4.547 1.712 887 HD23 LEU 102 2HD2 LEU 102 7.694 3.966 3.042 888 H LYS 103 H LYS 103 5.105 8.683 0.809 889 HA LYS 103 HA LYS 103 2.644 8.098 2.023 890 HB2 LYS 103 2HB LYS 103 3.827 10.765 1.169 891 HB3 LYS 103 1HB LYS 103 2.381 10.635 2.167 892 HG2 LYS 103 2HG LYS 103 5.104 9.544 2.939 893 HG3 LYS 103 1HG LYS 103 4.506 11.134 3.411 894 HD2 LYS 103 2HD LYS 103 2.966 8.613 4.111 895 HD3 LYS 103 1HD LYS 103 4.321 9.158 5.095 896 HE2 LYS 103 2HE LYS 103 2.277 9.941 6.092 897 HE3 LYS 103 1HE LYS 103 3.157 11.324 5.453 898 HZ1 LYS 103 3HZ LYS 103 0.772 11.428 5.017 899 HZ2 LYS 103 1HZ LYS 103 0.864 10.002 4.120 900 HZ3 LYS 103 2HZ LYS 103 1.663 11.391 3.582 901 H ARG 104 H ARG 104 3.287 9.813 -1.062 902 HA ARG 104 HA ARG 104 0.688 10.300 -1.958 903 HB2 ARG 104 2HB ARG 104 2.586 11.279 -3.102 904 HB3 ARG 104 1HB ARG 104 3.251 9.694 -3.473 905 HG2 ARG 104 2HG ARG 104 1.291 9.291 -4.998 906 HG3 ARG 104 1HG ARG 104 0.767 10.948 -4.689 907 HD2 ARG 104 2HD ARG 104 2.805 11.823 -5.693 908 HD3 ARG 104 1HD ARG 104 3.459 10.190 -5.871 909 HE ARG 104 HE ARG 104 1.035 10.218 -7.225 910 HH11 ARG 104 1HH1 ARG 104 4.155 11.827 -7.520 911 HH12 ARG 104 2HH1 ARG 104 4.034 12.013 -9.243 912 HH21 ARG 104 1HH2 ARG 104 0.866 10.501 -9.473 913 HH22 ARG 104 2HH2 ARG 104 2.162 11.259 -10.344 914 H GLY 105 H GLY 105 2.675 7.400 -2.182 915 HA2 GLY 105 2HA GLY 105 1.220 5.899 -4.029 916 HA3 GLY 105 1HA GLY 105 2.282 5.254 -2.789 917 H ILE 106 H ILE 106 0.978 6.039 -0.471 918 HA ILE 106 HA ILE 106 -1.129 4.176 -0.199 919 HB ILE 106 HB ILE 106 0.090 6.271 1.592 920 HG12 ILE 106 2HG1 ILE 106 0.316 4.298 3.156 921 HG13 ILE 106 1HG1 ILE 106 -0.456 3.291 1.943 922 HG21 ILE 106 1HG2 ILE 106 -2.535 4.940 2.333 923 HG22 ILE 106 2HG2 ILE 106 -2.281 6.663 2.065 924 HG23 ILE 106 3HG2 ILE 106 -1.509 5.863 3.436 925 HD11 ILE 106 3HD1 ILE 106 1.417 3.657 0.456 926 HD12 ILE 106 1HD1 ILE 106 1.942 3.007 2.006 927 HD13 ILE 106 2HD1 ILE 106 2.169 4.717 1.645 928 H ILE 107 H ILE 107 -1.153 7.695 -0.765 929 HA ILE 107 HA ILE 107 -3.930 8.143 -0.371 930 HB ILE 107 HB ILE 107 -1.977 9.671 -2.162 931 HG12 ILE 107 2HG1 ILE 107 -2.861 10.216 0.715 932 HG13 ILE 107 1HG1 ILE 107 -1.296 9.574 0.234 933 HG21 ILE 107 1HG2 ILE 107 -3.572 11.567 -2.010 934 HG22 ILE 107 2HG2 ILE 107 -4.709 10.541 -1.134 935 HG23 ILE 107 3HG2 ILE 107 -4.297 10.173 -2.812 936 HD11 ILE 107 3HD1 ILE 107 -1.154 11.915 0.804 937 HD12 ILE 107 1HD1 ILE 107 -2.352 12.324 -0.423 938 HD13 ILE 107 2HD1 ILE 107 -0.780 11.674 -0.901 939 H HIS 108 H HIS 108 -2.029 7.366 -3.237 940 HA HIS 108 HA HIS 108 -4.153 7.332 -5.130 941 HB2 HIS 108 2HB HIS 108 -1.717 7.626 -5.722 942 HB3 HIS 108 1HB HIS 108 -1.446 5.935 -5.312 943 HD1 HIS 108 HD1 HIS 108 -1.031 4.853 -7.542 944 HD2 HIS 108 HD2 HIS 108 -4.294 7.414 -7.641 945 HE1 HIS 108 HE1 HIS 108 -2.005 4.635 -9.841 946 HE2 HIS 108 HE2 HIS 108 -4.037 6.097 -9.832 947 H ALA 109 H ALA 109 -2.577 4.911 -3.123 948 HA ALA 109 HA ALA 109 -3.735 2.587 -4.215 949 HB1 ALA 109 3HB ALA 109 -1.710 2.541 -2.839 950 HB2 ALA 109 1HB ALA 109 -2.954 1.500 -2.141 951 HB3 ALA 109 2HB ALA 109 -2.627 3.085 -1.434 952 H ARG 110 H ARG 110 -4.684 4.734 -1.573 953 HA ARG 110 HA ARG 110 -6.836 3.233 -0.534 954 HB2 ARG 110 2HB ARG 110 -5.582 5.117 0.619 955 HB3 ARG 110 1HB ARG 110 -6.436 6.268 -0.390 956 HG2 ARG 110 2HG ARG 110 -7.882 4.358 1.471 957 HG3 ARG 110 1HG ARG 110 -7.256 5.904 2.028 958 HD2 ARG 110 2HD ARG 110 -8.765 7.128 0.613 959 HD3 ARG 110 1HD ARG 110 -9.229 5.674 -0.276 960 HE ARG 110 HE ARG 110 -9.835 5.486 2.526 961 HH11 ARG 110 1HH1 ARG 110 -11.058 6.839 -0.501 962 HH12 ARG 110 2HH1 ARG 110 -12.707 6.853 0.040 963 HH21 ARG 110 1HH2 ARG 110 -12.002 5.529 3.204 964 HH22 ARG 110 2HH2 ARG 110 -13.239 6.112 2.140 965 H ALA 111 H ALA 111 -6.547 5.592 -3.117 966 HA ALA 111 HA ALA 111 -9.322 6.059 -3.578 967 HB1 ALA 111 3HB ALA 111 -6.948 6.476 -5.428 968 HB2 ALA 111 1HB ALA 111 -7.592 7.661 -4.288 969 HB3 ALA 111 2HB ALA 111 -8.569 7.139 -5.663 970 H LEU 112 H LEU 112 -6.908 3.831 -4.939 971 HA LEU 112 HA LEU 112 -8.517 2.728 -7.007 972 HB2 LEU 112 2HB LEU 112 -6.020 1.708 -5.596 973 HB3 LEU 112 1HB LEU 112 -6.742 0.877 -6.969 974 HG LEU 112 HG LEU 112 -5.726 3.751 -7.089 975 HD11 LEU 112 1HD1 LEU 112 -3.854 2.228 -6.637 976 HD12 LEU 112 2HD1 LEU 112 -3.758 2.947 -8.243 977 HD13 LEU 112 3HD1 LEU 112 -4.290 1.272 -8.058 978 HD21 LEU 112 3HD2 LEU 112 -7.417 3.266 -8.766 979 HD22 LEU 112 1HD2 LEU 112 -6.531 1.829 -9.294 980 HD23 LEU 112 2HD2 LEU 112 -5.837 3.438 -9.524 981 H VAL 113 H VAL 113 -7.916 1.726 -3.626 982 HA VAL 113 HA VAL 113 -9.215 -0.806 -3.783 983 HB VAL 113 HB VAL 113 -8.777 0.869 -1.267 984 HG11 VAL 113 1HG1 VAL 113 -8.891 -1.302 -0.058 985 HG12 VAL 113 2HG1 VAL 113 -9.280 -2.119 -1.572 986 HG13 VAL 113 3HG1 VAL 113 -10.402 -0.939 -0.893 987 HG21 VAL 113 3HG2 VAL 113 -6.976 -1.281 -2.432 988 HG22 VAL 113 1HG2 VAL 113 -6.721 -0.426 -0.907 989 HG23 VAL 113 2HG2 VAL 113 -6.644 0.447 -2.435 990 H ARG 114 H ARG 114 -10.323 2.414 -2.694 991 HA ARG 114 HA ARG 114 -12.810 1.522 -1.665 992 HB2 ARG 114 2HB ARG 114 -13.401 3.886 -1.412 993 HB3 ARG 114 1HB ARG 114 -11.769 3.570 -0.853 994 HG2 ARG 114 2HG ARG 114 -11.367 5.515 -1.975 995 HG3 ARG 114 1HG ARG 114 -11.121 4.390 -3.305 996 HD2 ARG 114 2HD ARG 114 -13.518 4.836 -4.003 997 HD3 ARG 114 1HD ARG 114 -13.580 6.086 -2.752 998 HE ARG 114 HE ARG 114 -11.389 6.327 -4.633 999 HH11 ARG 114 1HH1 ARG 114 -14.715 7.303 -3.944 1000 HH12 ARG 114 2HH1 ARG 114 -14.633 8.695 -4.975 1001 HH21 ARG 114 1HH2 ARG 114 -11.331 8.141 -5.992 1002 HH22 ARG 114 2HH2 ARG 114 -12.723 9.165 -6.130 1003 H GLU 115 H GLU 115 -11.875 2.642 -4.882 1004 HA GLU 115 HA GLU 115 -14.524 2.869 -5.938 1005 HB2 GLU 115 2HB GLU 115 -11.841 2.495 -7.322 1006 HB3 GLU 115 1HB GLU 115 -13.356 2.764 -8.192 1007 HG2 GLU 115 2HG GLU 115 -13.626 4.936 -7.030 1008 HG3 GLU 115 1HG GLU 115 -12.100 4.669 -6.186 1009 H CYS 116 H CYS 116 -12.228 0.205 -5.639 1010 HA CYS 116 HA CYS 116 -13.798 -1.658 -7.169 1011 HB2 CYS 116 2HB CYS 116 -11.461 -2.163 -5.306 1012 HB3 CYS 116 1HB CYS 116 -12.161 -3.335 -6.422 1013 HG CYS 116 HG CYS 116 -10.702 -0.408 -7.386 1014 H LEU 117 H LEU 117 -13.816 -0.622 -3.798 1015 HA LEU 117 HA LEU 117 -15.196 -2.708 -2.551 1016 HB2 LEU 117 2HB LEU 117 -15.422 0.300 -2.200 1017 HB3 LEU 117 1HB LEU 117 -16.372 -0.797 -1.216 1018 HG LEU 117 HG LEU 117 -13.324 -0.738 -1.271 1019 HD11 LEU 117 1HD1 LEU 117 -13.455 0.331 0.917 1020 HD12 LEU 117 2HD1 LEU 117 -15.219 0.356 0.834 1021 HD13 LEU 117 3HD1 LEU 117 -14.266 1.321 -0.295 1022 HD21 LEU 117 3HD2 LEU 117 -13.428 -2.196 0.669 1023 HD22 LEU 117 1HD2 LEU 117 -14.282 -2.952 -0.672 1024 HD23 LEU 117 2HD2 LEU 117 -15.195 -2.190 0.635 1025 H ALA 118 H ALA 118 -16.366 -0.252 -4.773 1026 HA ALA 118 HA ALA 118 -19.131 -0.641 -4.616 1027 HB1 ALA 118 3HB ALA 118 -18.089 1.306 -5.682 1028 HB2 ALA 118 1HB ALA 118 -19.227 0.521 -6.782 1029 HB3 ALA 118 2HB ALA 118 -17.490 0.284 -6.989 1030 H GLU 119 H GLU 119 -16.862 -2.064 -7.091 1031 HA GLU 119 HA GLU 119 -18.767 -3.813 -8.223 1032 HB2 GLU 119 2HB GLU 119 -16.913 -4.821 -9.415 1033 HB3 GLU 119 1HB GLU 119 -16.625 -3.084 -9.326 1034 HG2 GLU 119 2HG GLU 119 -15.086 -3.494 -7.397 1035 HG3 GLU 119 1HG GLU 119 -15.294 -5.225 -7.637 1036 H THR 120 H THR 120 -16.617 -4.166 -5.444 1037 HA THR 120 HA THR 120 -16.717 -7.012 -5.170 1038 HB THR 120 HB THR 120 -15.958 -4.837 -3.162 1039 HG1 THR 120 HG1 THR 120 -14.693 -5.393 -5.225 1040 HG21 THR 120 3HG2 THR 120 -16.568 -6.888 -1.914 1041 HG22 THR 120 1HG2 THR 120 -14.826 -6.619 -1.860 1042 HG23 THR 120 2HG2 THR 120 -15.493 -7.838 -2.944 1043 H GLU 121 H GLU 121 -18.667 -4.339 -4.009 1044 HA GLU 121 HA GLU 121 -20.333 -5.559 -2.128 1045 HB2 GLU 121 2HB GLU 121 -20.308 -3.147 -2.457 1046 HB3 GLU 121 1HB GLU 121 -20.830 -3.311 -4.122 1047 HG2 GLU 121 2HG GLU 121 -22.700 -2.508 -2.883 1048 HG3 GLU 121 1HG GLU 121 -23.038 -4.188 -3.284 1049 H ARG 122 H ARG 122 -20.665 -5.327 -5.680 1050 HA ARG 122 HA ARG 122 -23.188 -6.765 -5.729 1051 HB2 ARG 122 2HB ARG 122 -21.449 -5.533 -7.899 1052 HB3 ARG 122 1HB ARG 122 -22.796 -6.586 -8.309 1053 HG2 ARG 122 2HG ARG 122 -23.530 -4.292 -8.473 1054 HG3 ARG 122 1HG ARG 122 -24.354 -5.073 -7.122 1055 HD2 ARG 122 2HD ARG 122 -22.688 -3.991 -5.571 1056 HD3 ARG 122 1HD ARG 122 -22.033 -3.118 -6.962 1057 HE ARG 122 HE ARG 122 -24.826 -2.686 -6.766 1058 HH11 ARG 122 1HH1 ARG 122 -21.826 -1.765 -5.161 1059 HH12 ARG 122 2HH1 ARG 122 -22.463 -0.265 -4.574 1060 HH21 ARG 122 1HH2 ARG 122 -25.634 -0.702 -5.980 1061 HH22 ARG 122 2HH2 ARG 122 -24.615 0.330 -5.040 1062 H ASN 123 H ASN 123 -19.806 -7.474 -6.242 1063 HA ASN 123 HA ASN 123 -20.162 -10.025 -7.534 1064 HB2 ASN 123 2HB ASN 123 -18.134 -8.633 -7.845 1065 HB3 ASN 123 1HB ASN 123 -17.708 -8.876 -6.153 1066 HD21 ASN 123 1HD2 ASN 123 -15.762 -9.831 -6.738 1067 HD22 ASN 123 2HD2 ASN 123 -15.659 -11.418 -7.410 1068 H ALA 124 H ALA 124 -20.110 -8.901 -4.248 1069 HA ALA 124 HA ALA 124 -19.818 -11.525 -3.056 1070 HB1 ALA 124 3HB ALA 124 -19.103 -9.502 -1.846 1071 HB2 ALA 124 1HB ALA 124 -20.360 -10.361 -0.951 1072 HB3 ALA 124 2HB ALA 124 -20.761 -8.895 -1.849 1073 H ARG 125 H ARG 125 -21.394 -12.608 -4.338 1074 HA ARG 125 HA ARG 125 -24.244 -12.126 -3.648 1075 HB2 ARG 125 2HB ARG 125 -24.628 -13.121 -6.102 1076 HB3 ARG 125 1HB ARG 125 -24.336 -11.410 -5.843 1077 HG2 ARG 125 2HG ARG 125 -23.082 -12.175 -7.770 1078 HG3 ARG 125 1HG ARG 125 -21.974 -11.696 -6.488 1079 HD2 ARG 125 2HD ARG 125 -21.768 -14.173 -5.904 1080 HD3 ARG 125 1HD ARG 125 -22.659 -14.511 -7.393 1081 HE ARG 125 HE ARG 125 -20.582 -12.838 -8.107 1082 HH11 ARG 125 1HH1 ARG 125 -20.806 -16.053 -6.677 1083 HH12 ARG 125 2HH1 ARG 125 -19.291 -16.572 -7.341 1084 HH21 ARG 125 1HH2 ARG 125 -18.591 -13.526 -8.924 1085 HH22 ARG 125 2HH2 ARG 125 -18.041 -15.142 -8.612 1086 H THR 126 H THR 126 -21.753 -14.285 -3.343 1087 HA THR 126 HA THR 126 -23.604 -16.550 -2.898 1088 HB THR 126 HB THR 126 -21.685 -18.091 -3.725 1089 HG1 THR 126 HG1 THR 126 -20.369 -15.937 -3.966 1090 HG21 THR 126 3HG2 THR 126 -22.395 -18.007 -6.090 1091 HG22 THR 126 1HG2 THR 126 -23.134 -16.427 -5.820 1092 HG23 THR 126 2HG2 THR 126 -23.785 -17.855 -5.013 Start of MODEL 12 1 H1 SER 58 1H SER 58 -20.414 -10.571 24.368 2 H2 SER 58 2H SER 58 -19.743 -11.329 23.019 3 H3 SER 58 3H SER 58 -20.802 -12.175 24.027 4 HA SER 58 HA SER 58 -21.476 -9.852 22.333 5 HB2 SER 58 2HB SER 58 -22.904 -11.587 21.127 6 HB3 SER 58 1HB SER 58 -21.166 -11.848 20.979 7 HG SER 58 HG SER 58 -21.956 -13.804 21.512 8 H HIS 59 H HIS 59 -23.405 -8.862 22.764 9 HA HIS 59 HA HIS 59 -25.545 -10.230 24.186 10 HB2 HIS 59 2HB HIS 59 -25.884 -8.540 25.907 11 HB3 HIS 59 1HB HIS 59 -24.252 -9.155 26.044 12 HD1 HIS 59 HD1 HIS 59 -26.108 -6.059 25.968 13 HD2 HIS 59 HD2 HIS 59 -22.261 -7.233 24.908 14 HE1 HIS 59 HE1 HIS 59 -24.745 -3.949 25.897 15 HE2 HIS 59 HE2 HIS 59 -22.394 -4.725 25.469 16 H MET 60 H MET 60 -27.487 -9.644 23.366 17 HA MET 60 HA MET 60 -27.586 -7.702 21.194 18 HB2 MET 60 2HB MET 60 -28.663 -9.916 20.888 19 HB3 MET 60 1HB MET 60 -29.726 -9.606 22.250 20 HG2 MET 60 2HG MET 60 -30.746 -7.715 20.982 21 HG3 MET 60 1HG MET 60 -29.715 -8.115 19.610 22 HE1 MET 60 3HE MET 60 -33.018 -10.935 21.209 23 HE2 MET 60 1HE MET 60 -32.642 -9.375 21.940 24 HE3 MET 60 2HE MET 60 -31.488 -10.707 22.055 25 H ALA 61 H ALA 61 -27.129 -5.936 22.709 26 HA ALA 61 HA ALA 61 -29.369 -4.814 24.202 27 HB1 ALA 61 3HB ALA 61 -27.935 -2.802 24.374 28 HB2 ALA 61 1HB ALA 61 -26.758 -3.541 23.280 29 HB3 ALA 61 2HB ALA 61 -27.067 -4.257 24.864 30 H MET 62 H MET 62 -27.950 -4.716 21.044 31 HA MET 62 HA MET 62 -30.393 -3.572 19.869 32 HB2 MET 62 2HB MET 62 -27.523 -2.867 19.037 33 HB3 MET 62 1HB MET 62 -28.972 -2.392 18.162 34 HG2 MET 62 2HG MET 62 -29.668 -0.976 20.021 35 HG3 MET 62 1HG MET 62 -28.283 -1.508 20.974 36 HE1 MET 62 3HE MET 62 -25.301 0.032 18.878 37 HE2 MET 62 1HE MET 62 -25.998 -1.559 18.584 38 HE3 MET 62 2HE MET 62 -25.723 -1.007 20.239 39 H LYS 63 H LYS 63 -30.256 -4.126 17.383 40 HA LYS 63 HA LYS 63 -29.050 -6.805 16.963 41 HB2 LYS 63 2HB LYS 63 -31.555 -5.592 15.701 42 HB3 LYS 63 1HB LYS 63 -30.822 -7.114 15.190 43 HG2 LYS 63 2HG LYS 63 -31.239 -8.075 17.427 44 HG3 LYS 63 1HG LYS 63 -31.966 -6.552 17.951 45 HD2 LYS 63 2HD LYS 63 -33.019 -8.334 15.709 46 HD3 LYS 63 1HD LYS 63 -33.674 -8.249 17.345 47 HE2 LYS 63 2HE LYS 63 -34.256 -5.867 16.982 48 HE3 LYS 63 1HE LYS 63 -33.611 -5.961 15.341 49 HZ1 LYS 63 3HZ LYS 63 -35.275 -7.691 14.876 50 HZ2 LYS 63 1HZ LYS 63 -35.974 -6.212 15.291 51 HZ3 LYS 63 2HZ LYS 63 -35.934 -7.467 16.414 52 HA PRO 64 HA PRO 64 -26.593 -3.828 14.408 53 HB2 PRO 64 2HB PRO 64 -24.624 -6.096 14.507 54 HB3 PRO 64 1HB PRO 64 -24.387 -4.378 14.897 55 HG2 PRO 64 2HG PRO 64 -24.492 -6.156 16.852 56 HG3 PRO 64 1HG PRO 64 -25.320 -4.593 17.036 57 HD2 PRO 64 2HD PRO 64 -26.512 -7.269 16.268 58 HD3 PRO 64 1HD PRO 64 -27.074 -6.092 17.481 59 HA PRO 65 HA PRO 65 -27.578 -5.592 10.371 60 HB2 PRO 65 2HB PRO 65 -26.118 -3.908 8.751 61 HB3 PRO 65 1HB PRO 65 -27.609 -3.401 9.575 62 HG2 PRO 65 2HG PRO 65 -24.756 -2.935 10.407 63 HG3 PRO 65 1HG PRO 65 -26.115 -1.787 10.377 64 HD2 PRO 65 2HD PRO 65 -25.340 -2.993 12.670 65 HD3 PRO 65 1HD PRO 65 -27.048 -2.623 12.348 66 H GLY 66 H GLY 66 -26.698 -7.625 10.394 67 HA2 GLY 66 2HA GLY 66 -23.903 -8.236 10.322 68 HA3 GLY 66 1HA GLY 66 -25.233 -9.363 10.107 69 H ALA 67 H ALA 67 -26.506 -8.478 7.899 70 HA ALA 67 HA ALA 67 -24.565 -8.874 5.725 71 HB1 ALA 67 3HB ALA 67 -26.545 -9.380 4.338 72 HB2 ALA 67 1HB ALA 67 -27.611 -8.983 5.688 73 HB3 ALA 67 2HB ALA 67 -26.525 -10.370 5.799 74 H GLN 68 H GLN 68 -23.685 -6.731 5.887 75 HA GLN 68 HA GLN 68 -25.153 -4.712 4.349 76 HB2 GLN 68 2HB GLN 68 -25.766 -4.116 6.653 77 HB3 GLN 68 1HB GLN 68 -24.088 -4.202 7.170 78 HG2 GLN 68 2HG GLN 68 -24.880 -1.870 6.966 79 HG3 GLN 68 1HG GLN 68 -23.533 -2.206 5.886 80 HE21 GLN 68 1HE2 GLN 68 -23.866 -2.137 3.655 81 HE22 GLN 68 2HE2 GLN 68 -25.312 -1.512 2.943 82 H GLY 69 H GLY 69 -22.162 -5.274 6.246 83 HA2 GLY 69 2HA GLY 69 -20.448 -3.711 4.570 84 HA3 GLY 69 1HA GLY 69 -19.953 -4.831 5.833 85 H SER 70 H SER 70 -20.912 -4.533 2.488 86 HA SER 70 HA SER 70 -20.749 -7.150 1.548 87 HB2 SER 70 2HB SER 70 -19.914 -4.678 -0.033 88 HB3 SER 70 1HB SER 70 -20.657 -6.157 -0.649 89 HG SER 70 HG SER 70 -22.544 -5.422 -0.105 90 H GLN 71 H GLN 71 -18.260 -4.700 1.915 91 HA GLN 71 HA GLN 71 -16.164 -6.398 0.808 92 HB2 GLN 71 2HB GLN 71 -15.931 -3.537 1.858 93 HB3 GLN 71 1HB GLN 71 -14.750 -4.406 0.882 94 HG2 GLN 71 2HG GLN 71 -15.709 -3.062 -0.737 95 HG3 GLN 71 1HG GLN 71 -16.718 -4.492 -0.903 96 HE21 GLN 71 1HE2 GLN 71 -17.292 -1.712 -1.637 97 HE22 GLN 71 2HE2 GLN 71 -18.710 -1.258 -0.767 98 H SER 72 H SER 72 -16.370 -7.966 2.547 99 HA SER 72 HA SER 72 -15.967 -7.157 5.316 100 HB2 SER 72 2HB SER 72 -16.184 -9.959 4.138 101 HB3 SER 72 1HB SER 72 -16.307 -9.522 5.844 102 HG SER 72 HG SER 72 -18.019 -8.204 4.100 103 H THR 73 H THR 73 -14.249 -9.230 2.954 104 HA THR 73 HA THR 73 -11.828 -9.290 4.557 105 HB THR 73 HB THR 73 -12.480 -11.331 3.347 106 HG1 THR 73 HG1 THR 73 -10.271 -11.087 3.634 107 HG21 THR 73 3HG2 THR 73 -13.595 -10.314 1.379 108 HG22 THR 73 1HG2 THR 73 -12.391 -11.517 0.908 109 HG23 THR 73 2HG2 THR 73 -12.023 -9.798 0.764 110 H TYR 74 H TYR 74 -13.174 -7.311 2.035 111 HA TYR 74 HA TYR 74 -10.611 -6.531 0.918 112 HB2 TYR 74 2HB TYR 74 -12.768 -6.863 -0.453 113 HB3 TYR 74 1HB TYR 74 -13.285 -5.300 0.172 114 HD1 TYR 74 HD1 TYR 74 -10.813 -7.021 -1.955 115 HD2 TYR 74 HD2 TYR 74 -12.211 -3.254 -0.600 116 HE1 TYR 74 HE1 TYR 74 -9.406 -5.902 -3.612 117 HE2 TYR 74 HE2 TYR 74 -10.824 -2.123 -2.265 118 HH TYR 74 HH TYR 74 -9.341 -3.677 -4.793 119 H THR 75 H THR 75 -13.045 -5.014 3.077 120 HA THR 75 HA THR 75 -11.952 -2.400 3.122 121 HB THR 75 HB THR 75 -13.489 -3.901 5.287 122 HG1 THR 75 HG1 THR 75 -15.208 -3.245 4.250 123 HG21 THR 75 3HG2 THR 75 -14.056 -1.704 6.262 124 HG22 THR 75 1HG2 THR 75 -12.990 -0.902 5.104 125 HG23 THR 75 2HG2 THR 75 -12.315 -1.981 6.327 126 H ASP 76 H ASP 76 -10.833 -5.394 4.511 127 HA ASP 76 HA ASP 76 -9.020 -4.528 6.473 128 HB2 ASP 76 2HB ASP 76 -9.666 -6.925 6.039 129 HB3 ASP 76 1HB ASP 76 -8.710 -6.897 4.563 130 H LEU 77 H LEU 77 -8.637 -4.997 2.949 131 HA LEU 77 HA LEU 77 -5.961 -4.176 2.670 132 HB2 LEU 77 2HB LEU 77 -7.157 -5.379 0.912 133 HB3 LEU 77 1HB LEU 77 -8.278 -4.044 0.706 134 HG LEU 77 HG LEU 77 -6.443 -2.624 -0.196 135 HD11 LEU 77 1HD1 LEU 77 -4.543 -3.562 1.005 136 HD12 LEU 77 2HD1 LEU 77 -4.248 -3.574 -0.732 137 HD13 LEU 77 3HD1 LEU 77 -4.683 -5.071 0.098 138 HD21 LEU 77 3HD2 LEU 77 -6.151 -3.762 -2.339 139 HD22 LEU 77 1HD2 LEU 77 -7.802 -3.937 -1.747 140 HD23 LEU 77 2HD2 LEU 77 -6.673 -5.288 -1.617 141 H LEU 78 H LEU 78 -9.000 -2.316 2.405 142 HA LEU 78 HA LEU 78 -8.012 0.210 1.787 143 HB2 LEU 78 2HB LEU 78 -10.420 -0.446 1.811 144 HB3 LEU 78 1HB LEU 78 -10.381 -0.487 3.566 145 HG LEU 78 HG LEU 78 -9.849 2.010 3.519 146 HD11 LEU 78 1HD1 LEU 78 -10.574 1.785 0.585 147 HD12 LEU 78 2HD1 LEU 78 -8.992 2.207 1.250 148 HD13 LEU 78 3HD1 LEU 78 -10.359 3.289 1.492 149 HD21 LEU 78 3HD2 LEU 78 -12.162 2.703 3.124 150 HD22 LEU 78 1HD2 LEU 78 -12.089 1.202 4.045 151 HD23 LEU 78 2HD2 LEU 78 -12.505 1.164 2.328 152 H SER 79 H SER 79 -8.404 -1.344 4.945 153 HA SER 79 HA SER 79 -7.477 0.794 6.549 154 HB2 SER 79 2HB SER 79 -7.506 -2.186 7.151 155 HB3 SER 79 1HB SER 79 -7.318 -0.891 8.334 156 HG SER 79 HG SER 79 -9.580 -1.652 6.857 157 H VAL 80 H VAL 80 -5.822 -2.057 5.095 158 HA VAL 80 HA VAL 80 -3.360 -1.900 6.402 159 HB VAL 80 HB VAL 80 -4.016 -2.972 3.613 160 HG11 VAL 80 1HG1 VAL 80 -1.621 -2.362 3.592 161 HG12 VAL 80 2HG1 VAL 80 -1.806 -4.118 3.606 162 HG13 VAL 80 3HG1 VAL 80 -1.366 -3.265 5.088 163 HG21 VAL 80 3HG2 VAL 80 -3.774 -5.195 4.670 164 HG22 VAL 80 1HG2 VAL 80 -5.001 -4.232 5.497 165 HG23 VAL 80 2HG2 VAL 80 -3.404 -4.423 6.213 166 H ILE 81 H ILE 81 -4.380 -0.404 3.329 167 HA ILE 81 HA ILE 81 -2.020 0.858 2.587 168 HB ILE 81 HB ILE 81 -4.832 1.955 2.129 169 HG12 ILE 81 2HG1 ILE 81 -4.717 -0.377 1.328 170 HG13 ILE 81 1HG1 ILE 81 -4.802 0.719 -0.039 171 HG21 ILE 81 1HG2 ILE 81 -3.096 3.602 1.627 172 HG22 ILE 81 2HG2 ILE 81 -3.839 3.039 0.130 173 HG23 ILE 81 3HG2 ILE 81 -2.246 2.442 0.601 174 HD11 ILE 81 3HD1 ILE 81 -3.291 -1.102 -0.468 175 HD12 ILE 81 1HD1 ILE 81 -2.342 -0.708 0.964 176 HD13 ILE 81 2HD1 ILE 81 -2.389 0.411 -0.402 177 H GLU 82 H GLU 82 -4.688 2.154 4.540 178 HA GLU 82 HA GLU 82 -3.631 4.740 4.946 179 HB2 GLU 82 2HB GLU 82 -6.059 3.973 5.135 180 HB3 GLU 82 1HB GLU 82 -5.660 3.264 6.689 181 HG2 GLU 82 2HG GLU 82 -5.342 6.221 6.070 182 HG3 GLU 82 1HG GLU 82 -6.830 5.535 6.713 183 H GLU 83 H GLU 83 -3.417 1.746 6.790 184 HA GLU 83 HA GLU 83 -2.196 2.794 9.140 185 HB2 GLU 83 2HB GLU 83 -2.345 -0.039 8.044 186 HB3 GLU 83 1HB GLU 83 -1.681 0.365 9.628 187 HG2 GLU 83 2HG GLU 83 -3.840 1.191 10.386 188 HG3 GLU 83 1HG GLU 83 -4.527 0.982 8.777 189 H MET 84 H MET 84 -0.922 1.497 6.086 190 HA MET 84 HA MET 84 1.825 1.450 6.835 191 HB2 MET 84 2HB MET 84 0.488 1.663 4.107 192 HB3 MET 84 1HB MET 84 2.231 1.541 4.314 193 HG2 MET 84 2HG MET 84 1.889 -0.635 5.467 194 HG3 MET 84 1HG MET 84 0.171 -0.530 5.077 195 HE1 MET 84 3HE MET 84 0.403 -0.581 1.088 196 HE2 MET 84 1HE MET 84 0.410 0.857 2.106 197 HE3 MET 84 2HE MET 84 -0.711 -0.461 2.451 198 H GLY 85 H GLY 85 -0.352 3.889 5.543 199 HA2 GLY 85 2HA GLY 85 1.386 5.984 4.968 200 HA3 GLY 85 1HA GLY 85 -0.274 6.165 5.489 201 H LYS 86 H LYS 86 0.418 4.711 8.062 202 HA LYS 86 HA LYS 86 1.162 7.036 9.631 203 HB2 LYS 86 2HB LYS 86 0.736 4.173 10.616 204 HB3 LYS 86 1HB LYS 86 0.767 5.641 11.593 205 HG2 LYS 86 2HG LYS 86 -1.325 6.383 10.411 206 HG3 LYS 86 1HG LYS 86 -1.379 4.811 9.608 207 HD2 LYS 86 2HD LYS 86 -1.450 5.227 12.630 208 HD3 LYS 86 1HD LYS 86 -2.877 4.994 11.623 209 HE2 LYS 86 2HE LYS 86 -2.349 2.904 12.708 210 HE3 LYS 86 1HE LYS 86 -2.006 2.732 10.995 211 HZ1 LYS 86 3HZ LYS 86 -0.339 1.751 12.531 212 HZ2 LYS 86 1HZ LYS 86 0.077 3.304 13.024 213 HZ3 LYS 86 2HZ LYS 86 0.316 2.836 11.419 214 H GLU 87 H GLU 87 2.559 3.985 8.537 215 HA GLU 87 HA GLU 87 4.655 3.832 10.494 216 HB2 GLU 87 2HB GLU 87 4.396 2.315 7.857 217 HB3 GLU 87 1HB GLU 87 5.400 1.856 9.232 218 HG2 GLU 87 2HG GLU 87 2.371 1.883 9.126 219 HG3 GLU 87 1HG GLU 87 3.413 0.465 9.093 220 H ILE 88 H ILE 88 4.291 5.529 7.570 221 HA ILE 88 HA ILE 88 6.913 5.461 6.474 222 HB ILE 88 HB ILE 88 4.701 7.547 6.155 223 HG12 ILE 88 2HG1 ILE 88 5.407 5.157 4.389 224 HG13 ILE 88 1HG1 ILE 88 4.070 5.201 5.528 225 HG21 ILE 88 1HG2 ILE 88 5.830 8.183 4.032 226 HG22 ILE 88 2HG2 ILE 88 7.157 7.085 4.418 227 HG23 ILE 88 3HG2 ILE 88 6.853 8.494 5.436 228 HD11 ILE 88 3HD1 ILE 88 3.032 6.995 4.239 229 HD12 ILE 88 1HD1 ILE 88 3.300 5.543 3.283 230 HD13 ILE 88 2HD1 ILE 88 4.366 6.930 3.082 231 H ARG 89 H ARG 89 5.376 7.519 8.948 232 HA ARG 89 HA ARG 89 7.402 9.523 8.974 233 HB2 ARG 89 2HB ARG 89 5.027 9.857 9.777 234 HB3 ARG 89 1HB ARG 89 5.418 8.936 11.214 235 HG2 ARG 89 2HG ARG 89 6.915 11.471 10.476 236 HG3 ARG 89 1HG ARG 89 5.405 11.515 11.381 237 HD2 ARG 89 2HD ARG 89 6.446 10.175 13.183 238 HD3 ARG 89 1HD ARG 89 7.956 10.107 12.275 239 HE ARG 89 HE ARG 89 7.386 12.796 12.575 240 HH11 ARG 89 1HH1 ARG 89 7.942 10.097 14.775 241 HH12 ARG 89 2HH1 ARG 89 8.608 11.093 16.032 242 HH21 ARG 89 1HH2 ARG 89 8.294 14.088 14.235 243 HH22 ARG 89 2HH2 ARG 89 8.801 13.344 15.719 244 HA PRO 90 HA PRO 90 9.326 7.166 12.821 245 HB2 PRO 90 2HB PRO 90 8.651 4.479 13.133 246 HB3 PRO 90 1HB PRO 90 7.893 5.812 14.028 247 HG2 PRO 90 2HG PRO 90 6.906 4.385 11.579 248 HG3 PRO 90 1HG PRO 90 6.010 4.890 13.032 249 HD2 PRO 90 2HD PRO 90 5.880 6.329 10.760 250 HD3 PRO 90 1HD PRO 90 5.877 7.124 12.349 251 H THR 91 H THR 91 8.589 5.184 9.919 252 HA THR 91 HA THR 91 11.058 3.862 9.609 253 HB THR 91 HB THR 91 9.100 4.833 7.490 254 HG1 THR 91 HG1 THR 91 8.057 3.118 8.100 255 HG21 THR 91 3HG2 THR 91 11.399 2.868 7.137 256 HG22 THR 91 1HG2 THR 91 11.278 4.459 6.382 257 HG23 THR 91 2HG2 THR 91 10.135 3.185 5.947 258 H TYR 92 H TYR 92 9.985 6.992 8.306 259 HA TYR 92 HA TYR 92 12.387 7.795 7.088 260 HB2 TYR 92 2HB TYR 92 10.114 8.811 6.676 261 HB3 TYR 92 1HB TYR 92 10.207 9.581 8.256 262 HD1 TYR 92 HD2 TYR 92 11.760 9.456 4.886 263 HD2 TYR 92 HD1 TYR 92 11.450 11.658 8.533 264 HE1 TYR 92 HE2 TYR 92 12.919 11.332 3.847 265 HE2 TYR 92 HE1 TYR 92 12.613 13.552 7.480 266 HH TYR 92 HH TYR 92 14.273 13.816 5.498 267 H ALA 93 H ALA 93 11.235 7.962 10.400 268 HA ALA 93 HA ALA 93 13.243 9.848 11.318 269 HB1 ALA 93 3HB ALA 93 11.159 8.264 12.862 270 HB2 ALA 93 1HB ALA 93 10.954 9.899 12.228 271 HB3 ALA 93 2HB ALA 93 12.140 9.589 13.496 272 H GLY 94 H GLY 94 13.424 6.615 10.543 273 HA2 GLY 94 2HA GLY 94 15.458 5.476 10.700 274 HA3 GLY 94 1HA GLY 94 15.853 6.326 12.180 275 H SER 95 H SER 95 12.742 5.232 12.614 276 HA SER 95 HA SER 95 13.413 3.027 14.260 277 HB2 SER 95 2HB SER 95 10.702 3.764 13.103 278 HB3 SER 95 1HB SER 95 10.993 2.712 14.488 279 HG SER 95 HG SER 95 11.821 5.422 14.368 280 H LYS 96 H LYS 96 14.502 1.423 13.208 281 HA LYS 96 HA LYS 96 14.020 0.147 10.813 282 HB2 LYS 96 2HB LYS 96 15.260 -1.805 11.830 283 HB3 LYS 96 1HB LYS 96 16.059 -0.246 12.016 284 HG2 LYS 96 2HG LYS 96 15.239 -0.096 14.351 285 HG3 LYS 96 1HG LYS 96 14.444 -1.664 14.174 286 HD2 LYS 96 2HD LYS 96 17.446 -1.194 13.935 287 HD3 LYS 96 1HD LYS 96 16.628 -1.772 15.388 288 HE2 LYS 96 2HE LYS 96 15.851 -3.769 14.143 289 HE3 LYS 96 1HE LYS 96 16.703 -3.198 12.708 290 HZ1 LYS 96 3HZ LYS 96 18.009 -4.834 13.863 291 HZ2 LYS 96 1HZ LYS 96 17.946 -3.944 15.302 292 HZ3 LYS 96 2HZ LYS 96 18.780 -3.332 13.967 293 H SER 97 H SER 97 12.591 -0.650 13.970 294 HA SER 97 HA SER 97 11.258 -3.021 13.239 295 HB2 SER 97 2HB SER 97 10.417 -1.048 15.403 296 HB3 SER 97 1HB SER 97 10.016 -2.765 15.328 297 HG SER 97 HG SER 97 12.325 -1.516 16.171 298 H ALA 98 H ALA 98 10.157 0.366 13.260 299 HA ALA 98 HA ALA 98 7.524 -0.008 12.311 300 HB1 ALA 98 3HB ALA 98 8.305 2.045 13.393 301 HB2 ALA 98 1HB ALA 98 7.611 2.393 11.807 302 HB3 ALA 98 2HB ALA 98 9.365 2.378 12.021 303 H MET 99 H MET 99 10.613 0.551 10.625 304 HA MET 99 HA MET 99 9.710 0.730 7.980 305 HB2 MET 99 2HB MET 99 12.025 1.276 8.583 306 HB3 MET 99 1HB MET 99 12.327 -0.376 9.099 307 HG2 MET 99 2HG MET 99 12.061 -1.145 6.758 308 HG3 MET 99 1HG MET 99 11.773 0.521 6.262 309 HE1 MET 99 3HE MET 99 15.865 -0.867 7.949 310 HE2 MET 99 1HE MET 99 14.495 -1.966 7.802 311 HE3 MET 99 2HE MET 99 14.450 -0.648 8.975 312 H GLU 100 H GLU 100 10.383 -2.053 10.024 313 HA GLU 100 HA GLU 100 10.198 -4.062 8.010 314 HB2 GLU 100 2HB GLU 100 11.411 -4.280 10.222 315 HB3 GLU 100 1HB GLU 100 9.847 -4.344 11.022 316 HG2 GLU 100 2HG GLU 100 10.702 -6.595 10.805 317 HG3 GLU 100 1HG GLU 100 9.301 -6.420 9.746 318 H ARG 101 H ARG 101 7.897 -2.588 10.269 319 HA ARG 101 HA ARG 101 5.702 -4.372 9.698 320 HB2 ARG 101 2HB ARG 101 5.555 -1.577 10.918 321 HB3 ARG 101 1HB ARG 101 4.276 -2.793 10.934 322 HG2 ARG 101 2HG ARG 101 6.029 -4.255 12.225 323 HG3 ARG 101 1HG ARG 101 6.856 -2.721 12.502 324 HD2 ARG 101 2HD ARG 101 4.120 -3.597 13.462 325 HD3 ARG 101 1HD ARG 101 5.508 -3.083 14.422 326 HE ARG 101 HE ARG 101 4.757 -0.919 12.827 327 HH11 ARG 101 1HH1 ARG 101 3.402 -2.750 15.519 328 HH12 ARG 101 2HH1 ARG 101 2.442 -1.422 16.084 329 HH21 ARG 101 1HH2 ARG 101 3.386 0.761 13.514 330 HH22 ARG 101 2HH2 ARG 101 2.428 0.567 14.950 331 H LEU 102 H LEU 102 6.828 -1.271 8.490 332 HA LEU 102 HA LEU 102 4.683 -0.601 6.779 333 HB2 LEU 102 2HB LEU 102 6.399 1.005 7.513 334 HB3 LEU 102 1HB LEU 102 7.638 0.121 6.644 335 HG LEU 102 HG LEU 102 6.703 0.802 4.494 336 HD11 LEU 102 1HD1 LEU 102 4.791 2.321 4.296 337 HD12 LEU 102 2HD1 LEU 102 4.497 2.173 6.032 338 HD13 LEU 102 3HD1 LEU 102 4.334 0.763 4.982 339 HD21 LEU 102 3HD2 LEU 102 7.067 3.218 4.599 340 HD22 LEU 102 1HD2 LEU 102 8.265 2.349 5.555 341 HD23 LEU 102 2HD2 LEU 102 6.925 3.176 6.359 342 H LYS 103 H LYS 103 7.751 -2.367 6.199 343 HA LYS 103 HA LYS 103 7.378 -3.137 3.549 344 HB2 LYS 103 2HB LYS 103 8.797 -4.520 5.852 345 HB3 LYS 103 1HB LYS 103 8.803 -5.203 4.232 346 HG2 LYS 103 2HG LYS 103 9.933 -2.491 5.010 347 HG3 LYS 103 1HG LYS 103 10.874 -3.963 4.746 348 HD2 LYS 103 2HD LYS 103 9.248 -2.446 2.672 349 HD3 LYS 103 1HD LYS 103 11.005 -2.521 2.789 350 HE2 LYS 103 2HE LYS 103 9.164 -4.854 2.153 351 HE3 LYS 103 1HE LYS 103 10.174 -3.980 1.003 352 HZ1 LYS 103 3HZ LYS 103 12.123 -4.711 2.310 353 HZ2 LYS 103 1HZ LYS 103 11.260 -5.979 1.605 354 HZ3 LYS 103 2HZ LYS 103 11.100 -5.671 3.256 355 H ARG 104 H ARG 104 6.380 -4.871 6.534 356 HA ARG 104 HA ARG 104 5.206 -7.123 5.349 357 HB2 ARG 104 2HB ARG 104 5.681 -6.980 7.780 358 HB3 ARG 104 1HB ARG 104 4.406 -5.778 7.968 359 HG2 ARG 104 2HG ARG 104 2.720 -7.460 7.274 360 HG3 ARG 104 1HG ARG 104 4.003 -8.654 7.071 361 HD2 ARG 104 2HD ARG 104 4.500 -8.497 9.499 362 HD3 ARG 104 1HD ARG 104 3.185 -7.328 9.683 363 HE ARG 104 HE ARG 104 2.156 -9.638 8.454 364 HH11 ARG 104 1HH1 ARG 104 3.430 -8.720 11.605 365 HH12 ARG 104 2HH1 ARG 104 2.482 -9.897 12.459 366 HH21 ARG 104 1HH2 ARG 104 0.914 -11.173 9.593 367 HH22 ARG 104 2HH2 ARG 104 1.070 -11.279 11.319 368 H GLY 105 H GLY 105 3.884 -3.904 5.925 369 HA2 GLY 105 2HA GLY 105 1.180 -4.304 5.334 370 HA3 GLY 105 1HA GLY 105 2.072 -2.815 5.088 371 H ILE 106 H ILE 106 3.927 -3.666 3.174 372 HA ILE 106 HA ILE 106 2.430 -3.596 0.773 373 HB ILE 106 HB ILE 106 5.370 -3.768 1.440 374 HG12 ILE 106 2HG1 ILE 106 5.445 -1.730 -0.058 375 HG13 ILE 106 1HG1 ILE 106 3.712 -1.865 -0.276 376 HG21 ILE 106 1HG2 ILE 106 5.274 -5.385 -0.389 377 HG22 ILE 106 2HG2 ILE 106 6.049 -3.899 -0.939 378 HG23 ILE 106 3HG2 ILE 106 4.378 -4.240 -1.389 379 HD11 ILE 106 3HD1 ILE 106 3.422 -1.452 2.124 380 HD12 ILE 106 1HD1 ILE 106 4.266 -0.142 1.301 381 HD13 ILE 106 2HD1 ILE 106 5.168 -1.289 2.290 382 H ILE 107 H ILE 107 4.010 -6.255 2.522 383 HA ILE 107 HA ILE 107 3.607 -8.262 0.512 384 HB ILE 107 HB ILE 107 4.279 -8.379 3.476 385 HG12 ILE 107 2HG1 ILE 107 6.363 -9.508 2.619 386 HG13 ILE 107 1HG1 ILE 107 5.778 -9.298 0.975 387 HG21 ILE 107 1HG2 ILE 107 4.495 -10.863 3.337 388 HG22 ILE 107 2HG2 ILE 107 3.716 -10.820 1.753 389 HG23 ILE 107 3HG2 ILE 107 2.824 -10.313 3.190 390 HD11 ILE 107 3HD1 ILE 107 5.927 -6.871 1.265 391 HD12 ILE 107 1HD1 ILE 107 7.474 -7.677 1.534 392 HD13 ILE 107 2HD1 ILE 107 6.519 -7.118 2.913 393 H HIS 108 H HIS 108 1.732 -7.095 3.239 394 HA HIS 108 HA HIS 108 -0.330 -9.054 3.253 395 HB2 HIS 108 2HB HIS 108 0.297 -7.493 5.181 396 HB3 HIS 108 1HB HIS 108 -0.487 -6.188 4.308 397 HD1 HIS 108 HD1 HIS 108 -1.567 -6.567 6.963 398 HD2 HIS 108 HD2 HIS 108 -2.935 -8.906 3.827 399 HE1 HIS 108 HE1 HIS 108 -3.817 -7.392 7.678 400 HE2 HIS 108 HE2 HIS 108 -4.715 -8.584 5.664 401 H ALA 109 H ALA 109 0.011 -5.824 1.838 402 HA ALA 109 HA ALA 109 -2.600 -5.680 0.690 403 HB1 ALA 109 3HB ALA 109 -0.106 -4.051 0.105 404 HB2 ALA 109 1HB ALA 109 -1.344 -3.668 1.304 405 HB3 ALA 109 2HB ALA 109 -1.748 -3.651 -0.413 406 H ARG 110 H ARG 110 0.584 -6.690 -0.488 407 HA ARG 110 HA ARG 110 0.029 -7.126 -3.215 408 HB2 ARG 110 2HB ARG 110 2.318 -7.218 -2.519 409 HB3 ARG 110 1HB ARG 110 1.980 -8.380 -1.250 410 HG2 ARG 110 2HG ARG 110 3.227 -9.473 -2.997 411 HG3 ARG 110 1HG ARG 110 1.593 -10.131 -2.978 412 HD2 ARG 110 2HD ARG 110 2.252 -9.847 -5.266 413 HD3 ARG 110 1HD ARG 110 1.039 -8.613 -4.916 414 HE ARG 110 HE ARG 110 3.465 -7.391 -4.464 415 HH11 ARG 110 1HH1 ARG 110 1.997 -8.992 -7.250 416 HH12 ARG 110 2HH1 ARG 110 2.865 -8.032 -8.404 417 HH21 ARG 110 1HH2 ARG 110 4.650 -6.200 -5.995 418 HH22 ARG 110 2HH2 ARG 110 4.372 -6.447 -7.689 419 H ALA 111 H ALA 111 -0.370 -9.196 -0.373 420 HA ALA 111 HA ALA 111 -1.202 -11.545 -1.720 421 HB1 ALA 111 3HB ALA 111 -1.640 -10.728 1.170 422 HB2 ALA 111 1HB ALA 111 -0.222 -11.568 0.539 423 HB3 ALA 111 2HB ALA 111 -1.798 -12.363 0.520 424 H LEU 112 H LEU 112 -2.969 -8.847 -0.242 425 HA LEU 112 HA LEU 112 -5.565 -10.034 -0.407 426 HB2 LEU 112 2HB LEU 112 -4.717 -7.147 0.003 427 HB3 LEU 112 1HB LEU 112 -6.391 -7.680 0.074 428 HG LEU 112 HG LEU 112 -4.184 -8.661 1.929 429 HD11 LEU 112 1HD1 LEU 112 -5.227 -7.326 3.667 430 HD12 LEU 112 2HD1 LEU 112 -6.406 -6.698 2.510 431 HD13 LEU 112 3HD1 LEU 112 -4.692 -6.309 2.329 432 HD21 LEU 112 3HD2 LEU 112 -5.989 -9.672 3.248 433 HD22 LEU 112 1HD2 LEU 112 -5.934 -10.348 1.623 434 HD23 LEU 112 2HD2 LEU 112 -7.178 -9.165 2.042 435 H VAL 113 H VAL 113 -3.933 -7.512 -2.399 436 HA VAL 113 HA VAL 113 -6.008 -7.129 -4.277 437 HB VAL 113 HB VAL 113 -3.001 -6.768 -4.747 438 HG11 VAL 113 1HG1 VAL 113 -3.686 -5.191 -6.564 439 HG12 VAL 113 2HG1 VAL 113 -5.367 -5.665 -6.317 440 HG13 VAL 113 3HG1 VAL 113 -4.193 -6.850 -6.889 441 HG21 VAL 113 3HG2 VAL 113 -5.081 -4.709 -3.901 442 HG22 VAL 113 1HG2 VAL 113 -3.375 -4.379 -4.229 443 HG23 VAL 113 2HG2 VAL 113 -3.834 -5.392 -2.857 444 H ARG 114 H ARG 114 -3.377 -9.490 -4.122 445 HA ARG 114 HA ARG 114 -3.594 -10.677 -6.650 446 HB2 ARG 114 2HB ARG 114 -1.723 -11.018 -5.028 447 HB3 ARG 114 1HB ARG 114 -2.767 -11.992 -4.017 448 HG2 ARG 114 2HG ARG 114 -2.132 -12.766 -6.879 449 HG3 ARG 114 1HG ARG 114 -1.049 -13.173 -5.552 450 HD2 ARG 114 2HD ARG 114 -2.784 -14.537 -4.504 451 HD3 ARG 114 1HD ARG 114 -3.956 -14.056 -5.734 452 HE ARG 114 HE ARG 114 -1.775 -15.207 -7.037 453 HH11 ARG 114 1HH1 ARG 114 -4.269 -16.276 -4.788 454 HH12 ARG 114 2HH1 ARG 114 -4.256 -17.905 -5.377 455 HH21 ARG 114 1HH2 ARG 114 -1.805 -17.330 -7.806 456 HH22 ARG 114 2HH2 ARG 114 -2.858 -18.493 -7.085 457 H GLU 115 H GLU 115 -5.161 -11.576 -3.563 458 HA GLU 115 HA GLU 115 -6.669 -13.764 -4.530 459 HB2 GLU 115 2HB GLU 115 -7.205 -11.972 -2.121 460 HB3 GLU 115 1HB GLU 115 -8.006 -13.514 -2.420 461 HG2 GLU 115 2HG GLU 115 -5.039 -13.118 -1.917 462 HG3 GLU 115 1HG GLU 115 -6.213 -13.699 -0.741 463 H CYS 116 H CYS 116 -7.381 -10.297 -4.370 464 HA CYS 116 HA CYS 116 -10.182 -10.524 -4.923 465 HB2 CYS 116 2HB CYS 116 -8.371 -8.102 -5.155 466 HB3 CYS 116 1HB CYS 116 -10.131 -8.086 -5.050 467 HG CYS 116 HG CYS 116 -8.049 -7.811 -2.652 468 H LEU 117 H LEU 117 -7.289 -9.919 -6.942 469 HA LEU 117 HA LEU 117 -8.413 -9.200 -9.370 470 HB2 LEU 117 2HB LEU 117 -5.987 -10.922 -8.784 471 HB3 LEU 117 1HB LEU 117 -6.436 -10.510 -10.430 472 HG LEU 117 HG LEU 117 -5.744 -8.457 -8.287 473 HD11 LEU 117 1HD1 LEU 117 -3.627 -8.166 -9.473 474 HD12 LEU 117 2HD1 LEU 117 -4.037 -9.494 -10.564 475 HD13 LEU 117 3HD1 LEU 117 -3.786 -9.803 -8.842 476 HD21 LEU 117 3HD2 LEU 117 -5.625 -6.861 -10.151 477 HD22 LEU 117 1HD2 LEU 117 -7.238 -7.553 -10.010 478 HD23 LEU 117 2HD2 LEU 117 -6.148 -8.117 -11.278 479 H ALA 118 H ALA 118 -8.252 -12.382 -7.892 480 HA ALA 118 HA ALA 118 -9.123 -14.020 -9.970 481 HB1 ALA 118 3HB ALA 118 -9.787 -15.599 -8.213 482 HB2 ALA 118 1HB ALA 118 -9.690 -14.316 -7.004 483 HB3 ALA 118 2HB ALA 118 -8.229 -14.858 -7.835 484 H GLU 119 H GLU 119 -11.191 -12.494 -7.388 485 HA GLU 119 HA GLU 119 -13.642 -13.321 -8.635 486 HB2 GLU 119 2HB GLU 119 -14.743 -12.142 -6.832 487 HB3 GLU 119 1HB GLU 119 -13.353 -13.000 -6.173 488 HG2 GLU 119 2HG GLU 119 -12.051 -10.899 -6.172 489 HG3 GLU 119 1HG GLU 119 -13.446 -10.034 -6.817 490 H THR 120 H THR 120 -11.598 -10.537 -9.038 491 HA THR 120 HA THR 120 -13.364 -8.483 -9.667 492 HB THR 120 HB THR 120 -10.547 -9.023 -10.712 493 HG1 THR 120 HG1 THR 120 -11.306 -7.112 -8.767 494 HG21 THR 120 3HG2 THR 120 -12.110 -6.415 -10.837 495 HG22 THR 120 1HG2 THR 120 -11.607 -7.384 -12.224 496 HG23 THR 120 2HG2 THR 120 -10.395 -6.594 -11.214 497 H GLU 121 H GLU 121 -12.292 -11.206 -11.617 498 HA GLU 121 HA GLU 121 -12.949 -10.326 -14.203 499 HB2 GLU 121 2HB GLU 121 -12.773 -12.621 -14.902 500 HB3 GLU 121 1HB GLU 121 -11.556 -12.342 -13.662 501 HG2 GLU 121 2HG GLU 121 -12.996 -13.458 -11.988 502 HG3 GLU 121 1HG GLU 121 -14.224 -13.738 -13.226 503 H ARG 122 H ARG 122 -15.080 -11.381 -11.610 504 HA ARG 122 HA ARG 122 -17.257 -12.313 -13.227 505 HB2 ARG 122 2HB ARG 122 -17.191 -11.400 -10.308 506 HB3 ARG 122 1HB ARG 122 -18.493 -12.317 -11.071 507 HG2 ARG 122 2HG ARG 122 -17.048 -14.247 -11.343 508 HG3 ARG 122 1HG ARG 122 -15.645 -13.334 -10.779 509 HD2 ARG 122 2HD ARG 122 -16.648 -13.119 -8.558 510 HD3 ARG 122 1HD ARG 122 -18.102 -13.963 -9.107 511 HE ARG 122 HE ARG 122 -16.287 -15.815 -9.628 512 HH11 ARG 122 1HH1 ARG 122 -16.566 -13.830 -6.725 513 HH12 ARG 122 2HH1 ARG 122 -15.880 -15.039 -5.692 514 HH21 ARG 122 1HH2 ARG 122 -15.449 -17.402 -8.240 515 HH22 ARG 122 2HH2 ARG 122 -15.254 -17.055 -6.553 516 H ASN 123 H ASN 123 -16.114 -9.257 -12.105 517 HA ASN 123 HA ASN 123 -18.631 -7.855 -12.064 518 HB2 ASN 123 2HB ASN 123 -16.593 -7.346 -10.579 519 HB3 ASN 123 1HB ASN 123 -15.834 -6.638 -12.006 520 HD21 ASN 123 1HD2 ASN 123 -18.350 -6.317 -9.622 521 HD22 ASN 123 2HD2 ASN 123 -18.773 -4.682 -9.995 522 H ALA 124 H ALA 124 -19.226 -6.147 -13.452 523 HA ALA 124 HA ALA 124 -18.389 -6.471 -16.264 524 HB1 ALA 124 3HB ALA 124 -20.778 -6.831 -15.721 525 HB2 ALA 124 1HB ALA 124 -20.567 -5.454 -16.805 526 HB3 ALA 124 2HB ALA 124 -20.887 -5.187 -15.090 527 H ARG 125 H ARG 125 -16.885 -4.808 -14.239 528 HA ARG 125 HA ARG 125 -17.253 -2.038 -14.710 529 HB2 ARG 125 2HB ARG 125 -15.952 -2.959 -12.784 530 HB3 ARG 125 1HB ARG 125 -14.711 -3.534 -13.894 531 HG2 ARG 125 2HG ARG 125 -14.166 -1.205 -14.504 532 HG3 ARG 125 1HG ARG 125 -15.442 -0.616 -13.435 533 HD2 ARG 125 2HD ARG 125 -14.245 -1.659 -11.501 534 HD3 ARG 125 1HD ARG 125 -12.942 -2.128 -12.598 535 HE ARG 125 HE ARG 125 -13.239 0.604 -12.914 536 HH11 ARG 125 1HH1 ARG 125 -12.368 -1.558 -10.256 537 HH12 ARG 125 2HH1 ARG 125 -11.397 -0.377 -9.458 538 HH21 ARG 125 1HH2 ARG 125 -12.009 2.168 -11.815 539 HH22 ARG 125 2HH2 ARG 125 -11.189 1.748 -10.344 540 H THR 126 H THR 126 -16.750 -0.843 -16.478 541 HA THR 126 HA THR 126 -14.994 -1.981 -18.580 542 HB THR 126 HB THR 126 -16.454 -0.721 -20.233 543 HG1 THR 126 HG1 THR 126 -17.494 0.736 -18.875 544 HG21 THR 126 3HG2 THR 126 -17.917 -2.831 -18.601 545 HG22 THR 126 1HG2 THR 126 -16.757 -3.157 -19.894 546 HG23 THR 126 2HG2 THR 126 -18.289 -2.362 -20.262 547 H1 SER 58 1H SER 58 6.882 -12.506 5.748 548 H2 SER 58 2H SER 58 7.807 -11.118 6.014 549 H3 SER 58 3H SER 58 8.545 -12.537 5.476 550 HA SER 58 HA SER 58 6.556 -10.960 3.978 551 HB2 SER 58 2HB SER 58 8.534 -10.436 2.481 552 HB3 SER 58 1HB SER 58 8.630 -9.724 4.088 553 HG SER 58 HG SER 58 10.222 -11.079 4.630 554 H HIS 59 H HIS 59 5.852 -11.857 2.058 555 HA HIS 59 HA HIS 59 7.089 -14.144 0.838 556 HB2 HIS 59 2HB HIS 59 5.321 -15.764 1.087 557 HB3 HIS 59 1HB HIS 59 5.724 -15.210 2.704 558 HD1 HIS 59 HD1 HIS 59 3.909 -13.779 3.951 559 HD2 HIS 59 HD2 HIS 59 2.699 -15.206 0.247 560 HE1 HIS 59 HE1 HIS 59 1.424 -13.480 3.883 561 HE2 HIS 59 HE2 HIS 59 0.727 -14.279 1.608 562 H MET 60 H MET 60 6.418 -14.457 -1.249 563 HA MET 60 HA MET 60 3.875 -13.521 -2.232 564 HB2 MET 60 2HB MET 60 4.771 -12.236 -4.148 565 HB3 MET 60 1HB MET 60 5.226 -11.493 -2.625 566 HG2 MET 60 2HG MET 60 7.496 -12.426 -2.836 567 HG3 MET 60 1HG MET 60 7.043 -13.178 -4.367 568 HE1 MET 60 3HE MET 60 9.432 -10.285 -5.537 569 HE2 MET 60 1HE MET 60 9.095 -12.014 -5.628 570 HE3 MET 60 2HE MET 60 9.604 -11.291 -4.099 571 H ALA 61 H ALA 61 3.139 -14.941 -3.754 572 HA ALA 61 HA ALA 61 4.678 -17.363 -4.167 573 HB1 ALA 61 3HB ALA 61 1.906 -16.625 -5.174 574 HB2 ALA 61 1HB ALA 61 2.273 -17.489 -3.680 575 HB3 ALA 61 2HB ALA 61 2.637 -18.232 -5.239 576 H MET 62 H MET 62 2.917 -15.290 -6.468 577 HA MET 62 HA MET 62 5.199 -15.220 -8.320 578 HB2 MET 62 2HB MET 62 2.376 -16.086 -9.112 579 HB3 MET 62 1HB MET 62 3.630 -15.648 -10.263 580 HG2 MET 62 2HG MET 62 3.808 -17.972 -8.328 581 HG3 MET 62 1HG MET 62 3.332 -18.097 -10.025 582 HE1 MET 62 3HE MET 62 6.908 -19.697 -10.131 583 HE2 MET 62 1HE MET 62 5.225 -19.875 -10.625 584 HE3 MET 62 2HE MET 62 5.650 -19.912 -8.912 585 H LYS 63 H LYS 63 4.771 -13.561 -10.064 586 HA LYS 63 HA LYS 63 3.070 -11.309 -9.160 587 HB2 LYS 63 2HB LYS 63 5.972 -11.210 -10.044 588 HB3 LYS 63 1HB LYS 63 4.936 -9.790 -10.008 589 HG2 LYS 63 2HG LYS 63 4.686 -9.990 -7.583 590 HG3 LYS 63 1HG LYS 63 5.645 -11.478 -7.582 591 HD2 LYS 63 2HD LYS 63 7.002 -9.500 -6.909 592 HD3 LYS 63 1HD LYS 63 7.614 -10.257 -8.381 593 HE2 LYS 63 2HE LYS 63 6.359 -8.493 -9.702 594 HE3 LYS 63 1HE LYS 63 5.991 -7.693 -8.173 595 HZ1 LYS 63 3HZ LYS 63 8.361 -7.458 -7.786 596 HZ2 LYS 63 1HZ LYS 63 7.910 -6.730 -9.240 597 HZ3 LYS 63 2HZ LYS 63 8.702 -8.218 -9.257 598 HA PRO 64 HA PRO 64 1.923 -12.077 -13.596 599 HB2 PRO 64 2HB PRO 64 -0.490 -10.569 -12.633 600 HB3 PRO 64 1HB PRO 64 -0.404 -12.083 -13.561 601 HG2 PRO 64 2HG PRO 64 -1.093 -12.118 -10.991 602 HG3 PRO 64 1HG PRO 64 -0.057 -13.392 -11.674 603 HD2 PRO 64 2HD PRO 64 0.741 -11.014 -9.996 604 HD3 PRO 64 1HD PRO 64 1.304 -12.699 -9.906 605 HA PRO 65 HA PRO 65 3.350 -7.865 -14.785 606 HB2 PRO 65 2HB PRO 65 2.282 -8.888 -17.426 607 HB3 PRO 65 1HB PRO 65 3.826 -8.083 -17.071 608 HG2 PRO 65 2HG PRO 65 3.792 -10.690 -17.497 609 HG3 PRO 65 1HG PRO 65 4.798 -10.023 -16.186 610 HD2 PRO 65 2HD PRO 65 2.131 -11.409 -15.996 611 HD3 PRO 65 1HD PRO 65 3.553 -11.563 -14.939 612 H GLY 66 H GLY 66 2.326 -5.922 -15.562 613 HA2 GLY 66 2HA GLY 66 -0.313 -5.515 -14.626 614 HA3 GLY 66 1HA GLY 66 0.643 -4.377 -15.560 615 H ALA 67 H ALA 67 -1.725 -6.923 -15.689 616 HA ALA 67 HA ALA 67 -1.977 -7.457 -18.407 617 HB1 ALA 67 3HB ALA 67 -4.225 -8.329 -17.852 618 HB2 ALA 67 1HB ALA 67 -4.165 -7.504 -16.289 619 HB3 ALA 67 2HB ALA 67 -3.038 -8.814 -16.642 620 H GLN 68 H GLN 68 -2.212 -5.968 -19.925 621 HA GLN 68 HA GLN 68 -3.439 -3.398 -19.548 622 HB2 GLN 68 2HB GLN 68 -1.421 -3.659 -20.919 623 HB3 GLN 68 1HB GLN 68 -2.246 -4.789 -21.983 624 HG2 GLN 68 2HG GLN 68 -3.751 -2.941 -22.718 625 HG3 GLN 68 1HG GLN 68 -2.850 -1.830 -21.694 626 HE21 GLN 68 1HE2 GLN 68 -0.770 -1.183 -22.336 627 HE22 GLN 68 2HE2 GLN 68 -0.170 -1.457 -23.930 628 H GLY 69 H GLY 69 -4.378 -6.480 -20.929 629 HA2 GLY 69 2HA GLY 69 -6.483 -5.648 -22.648 630 HA3 GLY 69 1HA GLY 69 -6.212 -7.268 -22.033 631 H SER 70 H SER 70 -6.697 -7.357 -19.505 632 HA SER 70 HA SER 70 -9.324 -6.060 -19.007 633 HB2 SER 70 2HB SER 70 -8.617 -8.986 -18.526 634 HB3 SER 70 1HB SER 70 -10.117 -8.207 -18.021 635 HG SER 70 HG SER 70 -10.268 -7.650 -20.370 636 H GLN 71 H GLN 71 -9.912 -5.788 -16.845 637 HA GLN 71 HA GLN 71 -9.763 -5.258 -14.680 638 HB2 GLN 71 2HB GLN 71 -7.447 -7.219 -14.432 639 HB3 GLN 71 1HB GLN 71 -8.465 -6.613 -13.127 640 HG2 GLN 71 2HG GLN 71 -10.412 -7.772 -14.191 641 HG3 GLN 71 1HG GLN 71 -9.304 -8.476 -15.369 642 HE21 GLN 71 1HE2 GLN 71 -10.967 -9.878 -13.518 643 HE22 GLN 71 2HE2 GLN 71 -9.942 -10.822 -12.499 644 H SER 72 H SER 72 -7.585 -4.190 -16.787 645 HA SER 72 HA SER 72 -5.142 -3.765 -15.718 646 HB2 SER 72 2HB SER 72 -5.835 -3.296 -18.065 647 HB3 SER 72 1HB SER 72 -6.620 -1.820 -17.522 648 HG SER 72 HG SER 72 -3.893 -2.431 -17.708 649 H THR 73 H THR 73 -7.823 -1.398 -15.420 650 HA THR 73 HA THR 73 -6.728 0.583 -13.925 651 HB THR 73 HB THR 73 -9.502 -0.527 -13.308 652 HG1 THR 73 HG1 THR 73 -9.332 1.425 -15.260 653 HG21 THR 73 3HG2 THR 73 -8.739 1.364 -11.885 654 HG22 THR 73 1HG2 THR 73 -10.077 1.836 -12.938 655 HG23 THR 73 2HG2 THR 73 -8.428 2.325 -13.334 656 H TYR 74 H TYR 74 -8.015 -2.478 -12.631 657 HA TYR 74 HA TYR 74 -7.295 -1.847 -9.906 658 HB2 TYR 74 2HB TYR 74 -9.377 -3.114 -10.369 659 HB3 TYR 74 1HB TYR 74 -8.434 -4.425 -11.077 660 HD1 TYR 74 HD1 TYR 74 -7.836 -2.433 -7.959 661 HD2 TYR 74 HD2 TYR 74 -8.744 -6.276 -9.587 662 HE1 TYR 74 HE1 TYR 74 -7.554 -3.434 -5.759 663 HE2 TYR 74 HE2 TYR 74 -8.453 -7.275 -7.355 664 HH TYR 74 HH TYR 74 -8.129 -5.346 -4.512 665 H THR 75 H THR 75 -5.915 -3.813 -12.526 666 HA THR 75 HA THR 75 -4.049 -5.334 -11.025 667 HB THR 75 HB THR 75 -3.635 -4.461 -13.921 668 HG1 THR 75 HG1 THR 75 -5.494 -5.385 -14.266 669 HG21 THR 75 3HG2 THR 75 -2.575 -6.669 -14.178 670 HG22 THR 75 1HG2 THR 75 -2.928 -7.052 -12.490 671 HG23 THR 75 2HG2 THR 75 -1.782 -5.768 -12.882 672 H ASP 76 H ASP 76 -4.037 -2.109 -12.297 673 HA ASP 76 HA ASP 76 -1.430 -1.243 -12.097 674 HB2 ASP 76 2HB ASP 76 -3.312 0.121 -12.957 675 HB3 ASP 76 1HB ASP 76 -3.979 0.253 -11.337 676 H LEU 77 H LEU 77 -3.926 -1.406 -9.533 677 HA LEU 77 HA LEU 77 -2.531 -0.278 -7.411 678 HB2 LEU 77 2HB LEU 77 -4.934 -0.674 -7.333 679 HB3 LEU 77 1HB LEU 77 -4.690 -2.412 -7.376 680 HG LEU 77 HG LEU 77 -3.619 -2.320 -5.119 681 HD11 LEU 77 1HD1 LEU 77 -2.710 -0.066 -5.167 682 HD12 LEU 77 2HD1 LEU 77 -3.729 -0.300 -3.749 683 HD13 LEU 77 3HD1 LEU 77 -4.337 0.619 -5.131 684 HD21 LEU 77 3HD2 LEU 77 -5.641 -1.870 -3.815 685 HD22 LEU 77 1HD2 LEU 77 -5.982 -2.807 -5.262 686 HD23 LEU 77 2HD2 LEU 77 -6.380 -1.087 -5.217 687 H LEU 78 H LEU 78 -2.657 -3.686 -8.426 688 HA LEU 78 HA LEU 78 -1.306 -4.988 -6.398 689 HB2 LEU 78 2HB LEU 78 -2.399 -6.069 -8.351 690 HB3 LEU 78 1HB LEU 78 -1.121 -5.474 -9.396 691 HG LEU 78 HG LEU 78 0.511 -6.902 -8.021 692 HD11 LEU 78 1HD1 LEU 78 -2.043 -8.134 -6.949 693 HD12 LEU 78 2HD1 LEU 78 -0.839 -7.233 -6.023 694 HD13 LEU 78 3HD1 LEU 78 -0.411 -8.785 -6.741 695 HD21 LEU 78 3HD2 LEU 78 -1.648 -8.336 -9.589 696 HD22 LEU 78 1HD2 LEU 78 -0.044 -8.971 -9.212 697 HD23 LEU 78 2HD2 LEU 78 -0.209 -7.560 -10.254 698 H SER 79 H SER 79 0.055 -3.277 -9.184 699 HA SER 79 HA SER 79 2.814 -3.782 -8.529 700 HB2 SER 79 2HB SER 79 1.592 -1.866 -10.549 701 HB3 SER 79 1HB SER 79 3.284 -2.372 -10.487 702 HG SER 79 HG SER 79 1.359 -4.389 -10.580 703 H VAL 80 H VAL 80 0.529 -1.081 -8.085 704 HA VAL 80 HA VAL 80 2.222 1.014 -7.334 705 HB VAL 80 HB VAL 80 -0.649 0.363 -6.495 706 HG11 VAL 80 1HG1 VAL 80 0.803 2.981 -5.934 707 HG12 VAL 80 2HG1 VAL 80 0.289 1.814 -4.717 708 HG13 VAL 80 3HG1 VAL 80 -0.919 2.679 -5.668 709 HG21 VAL 80 3HG2 VAL 80 -0.304 0.868 -8.878 710 HG22 VAL 80 1HG2 VAL 80 0.461 2.399 -8.456 711 HG23 VAL 80 2HG2 VAL 80 -1.248 2.139 -8.104 712 H ILE 81 H ILE 81 0.766 -1.542 -5.386 713 HA ILE 81 HA ILE 81 1.580 -0.983 -2.850 714 HB ILE 81 HB ILE 81 1.537 -3.745 -4.144 715 HG12 ILE 81 2HG1 ILE 81 -0.648 -2.721 -4.454 716 HG13 ILE 81 1HG1 ILE 81 -0.811 -3.889 -3.155 717 HG21 ILE 81 1HG2 ILE 81 1.391 -2.960 -1.214 718 HG22 ILE 81 2HG2 ILE 81 2.721 -3.795 -2.018 719 HG23 ILE 81 3HG2 ILE 81 1.161 -4.595 -1.846 720 HD11 ILE 81 3HD1 ILE 81 -2.053 -1.881 -2.674 721 HD12 ILE 81 1HD1 ILE 81 -0.607 -0.892 -2.871 722 HD13 ILE 81 2HD1 ILE 81 -0.721 -2.035 -1.529 723 H GLU 82 H GLU 82 3.459 -2.847 -5.238 724 HA GLU 82 HA GLU 82 5.817 -3.018 -3.632 725 HB2 GLU 82 2HB GLU 82 5.301 -4.673 -5.419 726 HB3 GLU 82 1HB GLU 82 5.614 -3.433 -6.635 727 HG2 GLU 82 2HG GLU 82 7.952 -3.264 -5.899 728 HG3 GLU 82 1HG GLU 82 7.652 -4.430 -4.615 729 H GLU 83 H GLU 83 4.735 -0.652 -6.009 730 HA GLU 83 HA GLU 83 7.225 0.692 -6.365 731 HB2 GLU 83 2HB GLU 83 4.393 1.764 -6.665 732 HB3 GLU 83 1HB GLU 83 5.848 2.597 -7.211 733 HG2 GLU 83 2HG GLU 83 4.750 -0.030 -8.266 734 HG3 GLU 83 1HG GLU 83 4.748 1.527 -9.088 735 H MET 84 H MET 84 4.833 0.761 -3.832 736 HA MET 84 HA MET 84 6.024 2.999 -2.404 737 HB2 MET 84 2HB MET 84 4.017 0.883 -1.493 738 HB3 MET 84 1HB MET 84 4.490 2.299 -0.559 739 HG2 MET 84 2HG MET 84 3.561 3.751 -2.328 740 HG3 MET 84 1HG MET 84 3.034 2.317 -3.212 741 HE1 MET 84 3HE MET 84 2.046 0.421 -0.800 742 HE2 MET 84 1HE MET 84 1.091 0.647 -2.266 743 HE3 MET 84 2HE MET 84 0.345 0.866 -0.684 744 H GLY 85 H GLY 85 6.087 -0.531 -2.381 745 HA2 GLY 85 2HA GLY 85 7.432 -1.125 -0.035 746 HA3 GLY 85 1HA GLY 85 7.447 -2.116 -1.473 747 H LYS 86 H LYS 86 8.767 0.034 -3.030 748 HA LYS 86 HA LYS 86 11.497 -0.733 -2.342 749 HB2 LYS 86 2HB LYS 86 12.058 0.129 -4.575 750 HB3 LYS 86 1HB LYS 86 10.729 -1.022 -4.649 751 HG2 LYS 86 2HG LYS 86 9.156 0.999 -4.708 752 HG3 LYS 86 1HG LYS 86 10.597 1.993 -4.959 753 HD2 LYS 86 2HD LYS 86 9.554 -0.221 -6.771 754 HD3 LYS 86 1HD LYS 86 9.557 1.509 -7.106 755 HE2 LYS 86 2HE LYS 86 12.020 1.502 -7.183 756 HE3 LYS 86 1HE LYS 86 12.036 -0.220 -6.800 757 HZ1 LYS 86 3HZ LYS 86 10.876 1.015 -9.234 758 HZ2 LYS 86 1HZ LYS 86 10.806 -0.631 -8.856 759 HZ3 LYS 86 2HZ LYS 86 12.295 0.106 -9.154 760 H GLU 87 H GLU 87 9.388 2.065 -2.234 761 HA GLU 87 HA GLU 87 11.468 4.046 -1.993 762 HB2 GLU 87 2HB GLU 87 8.475 4.246 -1.454 763 HB3 GLU 87 1HB GLU 87 9.590 5.614 -1.430 764 HG2 GLU 87 2HG GLU 87 8.800 3.913 -3.804 765 HG3 GLU 87 1HG GLU 87 8.437 5.616 -3.531 766 H ILE 88 H ILE 88 10.132 1.794 0.142 767 HA ILE 88 HA ILE 88 10.042 3.197 2.606 768 HB ILE 88 HB ILE 88 10.487 0.233 2.020 769 HG12 ILE 88 2HG1 ILE 88 7.942 1.756 2.742 770 HG13 ILE 88 1HG1 ILE 88 8.365 1.181 1.134 771 HG21 ILE 88 1HG2 ILE 88 9.754 -0.227 4.340 772 HG22 ILE 88 2HG2 ILE 88 9.713 1.507 4.671 773 HG23 ILE 88 3HG2 ILE 88 11.247 0.714 4.308 774 HD11 ILE 88 3HD1 ILE 88 6.731 -0.247 2.184 775 HD12 ILE 88 1HD1 ILE 88 7.818 -0.557 3.535 776 HD13 ILE 88 2HD1 ILE 88 8.235 -1.121 1.914 777 H ARG 89 H ARG 89 12.665 1.575 0.884 778 HA ARG 89 HA ARG 89 14.551 1.597 3.032 779 HB2 ARG 89 2HB ARG 89 14.986 1.201 0.052 780 HB3 ARG 89 1HB ARG 89 16.255 1.015 1.261 781 HG2 ARG 89 2HG ARG 89 13.700 -0.621 1.105 782 HG3 ARG 89 1HG ARG 89 15.305 -1.152 0.585 783 HD2 ARG 89 2HD ARG 89 16.114 -0.890 2.935 784 HD3 ARG 89 1HD ARG 89 14.476 -0.430 3.422 785 HE ARG 89 HE ARG 89 14.907 -3.031 2.123 786 HH11 ARG 89 1HH1 ARG 89 14.115 -1.256 5.051 787 HH12 ARG 89 2HH1 ARG 89 13.513 -2.658 5.875 788 HH21 ARG 89 1HH2 ARG 89 14.117 -4.847 3.227 789 HH22 ARG 89 2HH2 ARG 89 13.517 -4.688 4.848 790 HA PRO 90 HA PRO 90 16.513 5.578 1.032 791 HB2 PRO 90 2HB PRO 90 15.021 7.031 -0.798 792 HB3 PRO 90 1HB PRO 90 16.223 5.803 -1.251 793 HG2 PRO 90 2HG PRO 90 13.243 5.546 -1.080 794 HG3 PRO 90 1HG PRO 90 14.362 4.918 -2.312 795 HD2 PRO 90 2HD PRO 90 13.366 3.337 -0.346 796 HD3 PRO 90 1HD PRO 90 14.990 3.097 -1.013 797 H THR 91 H THR 91 12.959 5.567 1.513 798 HA THR 91 HA THR 91 12.669 8.037 2.857 799 HB THR 91 HB THR 91 11.154 5.419 3.219 800 HG1 THR 91 HG1 THR 91 10.151 6.101 1.497 801 HG21 THR 91 3HG2 THR 91 10.355 8.166 4.253 802 HG22 THR 91 1HG2 THR 91 10.812 6.790 5.260 803 HG23 THR 91 2HG2 THR 91 9.343 6.723 4.282 804 H TYR 92 H TYR 92 13.450 4.801 4.119 805 HA TYR 92 HA TYR 92 13.897 5.484 6.819 806 HB2 TYR 92 2HB TYR 92 13.544 3.150 6.008 807 HB3 TYR 92 1HB TYR 92 15.104 3.195 5.194 808 HD1 TYR 92 HD2 TYR 92 13.533 3.478 8.572 809 HD2 TYR 92 HD1 TYR 92 17.059 2.464 6.385 810 HE1 TYR 92 HE2 TYR 92 14.565 2.653 10.621 811 HE2 TYR 92 HE1 TYR 92 18.098 1.620 8.443 812 HH TYR 92 HH TYR 92 17.874 1.945 10.875 813 H ALA 93 H ALA 93 15.884 5.808 3.966 814 HA ALA 93 HA ALA 93 18.383 6.262 5.373 815 HB1 ALA 93 3HB ALA 93 19.304 6.611 3.125 816 HB2 ALA 93 1HB ALA 93 17.675 6.588 2.435 817 HB3 ALA 93 2HB ALA 93 18.342 5.133 3.178 818 H GLY 94 H GLY 94 15.665 8.118 5.042 819 HA2 GLY 94 2HA GLY 94 15.449 10.275 5.855 820 HA3 GLY 94 1HA GLY 94 17.151 10.579 5.562 821 H SER 95 H SER 95 15.995 9.287 2.700 822 HA SER 95 HA SER 95 15.973 11.749 1.299 823 HB2 SER 95 2HB SER 95 14.869 9.073 0.339 824 HB3 SER 95 1HB SER 95 15.373 10.430 -0.673 825 HG SER 95 HG SER 95 17.476 10.073 0.560 826 H LYS 96 H LYS 96 14.439 13.234 1.851 827 HA LYS 96 HA LYS 96 11.751 12.873 2.473 828 HB2 LYS 96 2HB LYS 96 11.465 15.270 2.048 829 HB3 LYS 96 1HB LYS 96 12.979 14.969 2.892 830 HG2 LYS 96 2HG LYS 96 14.258 15.299 0.828 831 HG3 LYS 96 1HG LYS 96 12.769 15.457 -0.107 832 HD2 LYS 96 2HD LYS 96 13.723 17.663 0.281 833 HD3 LYS 96 1HD LYS 96 12.205 17.524 1.174 834 HE2 LYS 96 2HE LYS 96 13.866 18.638 2.558 835 HE3 LYS 96 1HE LYS 96 13.537 17.051 3.251 836 HZ1 LYS 96 3HZ LYS 96 15.566 16.256 2.061 837 HZ2 LYS 96 1HZ LYS 96 15.863 17.401 3.267 838 HZ3 LYS 96 2HZ LYS 96 15.904 17.859 1.647 839 H SER 97 H SER 97 13.270 13.073 -0.688 840 HA SER 97 HA SER 97 10.969 13.485 -2.284 841 HB2 SER 97 2HB SER 97 13.621 12.150 -2.996 842 HB3 SER 97 1HB SER 97 12.407 12.693 -4.158 843 HG SER 97 HG SER 97 14.328 14.125 -2.916 844 H ALA 98 H ALA 98 12.666 10.511 -1.260 845 HA ALA 98 HA ALA 98 10.960 8.613 -2.439 846 HB1 ALA 98 3HB ALA 98 13.184 8.085 -1.552 847 HB2 ALA 98 1HB ALA 98 11.950 7.038 -0.845 848 HB3 ALA 98 2HB ALA 98 12.610 8.385 0.090 849 H MET 99 H MET 99 10.925 10.138 0.787 850 HA MET 99 HA MET 99 8.708 8.825 1.897 851 HB2 MET 99 2HB MET 99 10.295 10.189 3.216 852 HB3 MET 99 1HB MET 99 9.747 11.647 2.404 853 HG2 MET 99 2HG MET 99 7.475 11.284 3.419 854 HG3 MET 99 1HG MET 99 8.152 9.923 4.312 855 HE1 MET 99 3HE MET 99 10.073 13.327 3.540 856 HE2 MET 99 1HE MET 99 9.625 14.274 4.958 857 HE3 MET 99 2HE MET 99 8.404 13.861 3.755 858 H GLU 100 H GLU 100 8.939 11.637 -0.207 859 HA GLU 100 HA GLU 100 6.253 12.521 -0.113 860 HB2 GLU 100 2HB GLU 100 8.073 13.953 -0.919 861 HB3 GLU 100 1HB GLU 100 8.410 12.847 -2.241 862 HG2 GLU 100 2HG GLU 100 7.220 14.850 -3.023 863 HG3 GLU 100 1HG GLU 100 6.272 13.386 -3.294 864 H ARG 101 H ARG 101 7.990 10.261 -2.215 865 HA ARG 101 HA ARG 101 5.830 9.670 -4.006 866 HB2 ARG 101 2HB ARG 101 8.287 7.980 -3.344 867 HB3 ARG 101 1HB ARG 101 7.209 7.726 -4.716 868 HG2 ARG 101 2HG ARG 101 7.892 9.907 -5.654 869 HG3 ARG 101 1HG ARG 101 8.958 10.157 -4.272 870 HD2 ARG 101 2HD ARG 101 10.079 7.933 -4.976 871 HD3 ARG 101 1HD ARG 101 9.224 8.141 -6.506 872 HE ARG 101 HE ARG 101 10.450 10.228 -6.821 873 HH11 ARG 101 1HH1 ARG 101 11.730 8.033 -4.376 874 HH12 ARG 101 2HH1 ARG 101 13.331 8.697 -4.444 875 HH21 ARG 101 1HH2 ARG 101 12.562 11.077 -6.898 876 HH22 ARG 101 2HH2 ARG 101 13.800 10.424 -5.875 877 H LEU 102 H LEU 102 7.078 8.243 -1.044 878 HA LEU 102 HA LEU 102 5.601 5.826 -1.056 879 HB2 LEU 102 2HB LEU 102 7.741 6.186 0.140 880 HB3 LEU 102 1HB LEU 102 6.959 7.319 1.224 881 HG LEU 102 HG LEU 102 5.678 5.523 2.274 882 HD11 LEU 102 1HD1 LEU 102 5.229 4.101 0.360 883 HD12 LEU 102 2HD1 LEU 102 5.953 3.169 1.669 884 HD13 LEU 102 3HD1 LEU 102 6.932 3.639 0.276 885 HD21 LEU 102 3HD2 LEU 102 7.497 4.216 3.275 886 HD22 LEU 102 1HD2 LEU 102 7.923 5.921 3.143 887 HD23 LEU 102 2HD2 LEU 102 8.594 4.753 2.000 888 H LYS 103 H LYS 103 5.126 8.900 0.731 889 HA LYS 103 HA LYS 103 2.635 8.372 1.892 890 HB2 LYS 103 2HB LYS 103 3.967 10.956 1.016 891 HB3 LYS 103 1HB LYS 103 2.406 10.960 1.827 892 HG2 LYS 103 2HG LYS 103 4.947 9.782 3.005 893 HG3 LYS 103 1HG LYS 103 4.365 11.419 3.325 894 HD2 LYS 103 2HD LYS 103 2.805 8.880 3.950 895 HD3 LYS 103 1HD LYS 103 3.795 9.762 5.114 896 HE2 LYS 103 2HE LYS 103 1.374 10.899 3.669 897 HE3 LYS 103 1HE LYS 103 1.394 10.301 5.329 898 HZ1 LYS 103 3HZ LYS 103 2.974 12.599 4.306 899 HZ2 LYS 103 1HZ LYS 103 2.996 12.018 5.894 900 HZ3 LYS 103 2HZ LYS 103 1.588 12.695 5.259 901 H ARG 104 H ARG 104 3.368 9.978 -1.237 902 HA ARG 104 HA ARG 104 0.704 10.383 -2.086 903 HB2 ARG 104 2HB ARG 104 2.768 11.493 -3.062 904 HB3 ARG 104 1HB ARG 104 3.130 9.981 -3.883 905 HG2 ARG 104 2HG ARG 104 0.919 10.180 -5.089 906 HG3 ARG 104 1HG ARG 104 0.708 11.763 -4.336 907 HD2 ARG 104 2HD ARG 104 2.811 12.532 -5.432 908 HD3 ARG 104 1HD ARG 104 2.947 10.958 -6.219 909 HE ARG 104 HE ARG 104 1.138 11.478 -7.601 910 HH11 ARG 104 1HH1 ARG 104 1.836 14.191 -5.450 911 HH12 ARG 104 2HH1 ARG 104 0.925 15.319 -6.408 912 HH21 ARG 104 1HH2 ARG 104 -0.022 13.003 -8.835 913 HH22 ARG 104 2HH2 ARG 104 -0.117 14.650 -8.305 914 H GLY 105 H GLY 105 2.771 7.600 -2.120 915 HA2 GLY 105 2HA GLY 105 1.424 5.993 -4.034 916 HA3 GLY 105 1HA GLY 105 2.536 5.449 -2.786 917 H ILE 106 H ILE 106 1.252 6.269 -0.462 918 HA ILE 106 HA ILE 106 -0.833 4.388 -0.108 919 HB ILE 106 HB ILE 106 0.397 6.523 1.617 920 HG12 ILE 106 2HG1 ILE 106 0.523 4.604 3.274 921 HG13 ILE 106 1HG1 ILE 106 -0.227 3.574 2.067 922 HG21 ILE 106 1HG2 ILE 106 -2.272 5.301 2.376 923 HG22 ILE 106 2HG2 ILE 106 -1.954 7.008 2.067 924 HG23 ILE 106 3HG2 ILE 106 -1.225 6.219 3.467 925 HD11 ILE 106 3HD1 ILE 106 1.715 3.881 0.631 926 HD12 ILE 106 1HD1 ILE 106 2.145 3.230 2.210 927 HD13 ILE 106 2HD1 ILE 106 2.437 4.928 1.847 928 H ILE 107 H ILE 107 -0.884 7.886 -0.779 929 HA ILE 107 HA ILE 107 -3.671 8.331 -0.526 930 HB ILE 107 HB ILE 107 -1.641 9.741 -2.329 931 HG12 ILE 107 2HG1 ILE 107 -2.739 10.531 0.414 932 HG13 ILE 107 1HG1 ILE 107 -1.130 9.890 0.103 933 HG21 ILE 107 1HG2 ILE 107 -3.256 11.618 -2.468 934 HG22 ILE 107 2HG2 ILE 107 -4.447 10.661 -1.585 935 HG23 ILE 107 3HG2 ILE 107 -3.912 10.148 -3.187 936 HD11 ILE 107 3HD1 ILE 107 -2.201 12.537 -0.881 937 HD12 ILE 107 1HD1 ILE 107 -0.589 11.888 -1.206 938 HD13 ILE 107 2HD1 ILE 107 -1.067 12.280 0.444 939 H HIS 108 H HIS 108 -1.665 7.381 -3.284 940 HA HIS 108 HA HIS 108 -3.705 7.298 -5.256 941 HB2 HIS 108 2HB HIS 108 -1.300 7.549 -5.826 942 HB3 HIS 108 1HB HIS 108 -0.984 5.928 -5.218 943 HD1 HIS 108 HD1 HIS 108 -0.277 4.808 -7.367 944 HD2 HIS 108 HD2 HIS 108 -3.891 6.826 -7.767 945 HE1 HIS 108 HE1 HIS 108 -1.145 4.214 -9.642 946 HE2 HIS 108 HE2 HIS 108 -3.384 5.325 -9.796 947 H ALA 109 H ALA 109 -2.214 4.855 -3.187 948 HA ALA 109 HA ALA 109 -3.429 2.582 -4.354 949 HB1 ALA 109 3HB ALA 109 -2.612 1.374 -2.376 950 HB2 ALA 109 1HB ALA 109 -2.240 2.909 -1.581 951 HB3 ALA 109 2HB ALA 109 -1.363 2.432 -3.038 952 H ARG 110 H ARG 110 -4.269 4.618 -1.554 953 HA ARG 110 HA ARG 110 -6.478 3.119 -0.608 954 HB2 ARG 110 2HB ARG 110 -5.299 4.833 0.749 955 HB3 ARG 110 1HB ARG 110 -5.892 6.098 -0.321 956 HG2 ARG 110 2HG ARG 110 -8.231 5.556 0.390 957 HG3 ARG 110 1HG ARG 110 -7.584 4.344 1.502 958 HD2 ARG 110 2HD ARG 110 -6.333 6.133 2.682 959 HD3 ARG 110 1HD ARG 110 -7.034 7.325 1.583 960 HE ARG 110 HE ARG 110 -9.129 5.908 2.782 961 HH11 ARG 110 1HH1 ARG 110 -6.606 8.145 3.800 962 HH12 ARG 110 2HH1 ARG 110 -7.534 8.785 5.117 963 HH21 ARG 110 1HH2 ARG 110 -10.347 6.768 4.500 964 HH22 ARG 110 2HH2 ARG 110 -9.665 8.000 5.510 965 H ALA 111 H ALA 111 -6.118 5.590 -3.069 966 HA ALA 111 HA ALA 111 -8.866 6.162 -3.528 967 HB1 ALA 111 3HB ALA 111 -8.071 7.211 -5.615 968 HB2 ALA 111 1HB ALA 111 -6.481 6.473 -5.389 969 HB3 ALA 111 2HB ALA 111 -7.064 7.684 -4.244 970 H LEU 112 H LEU 112 -6.521 3.934 -5.001 971 HA LEU 112 HA LEU 112 -8.232 2.886 -7.028 972 HB2 LEU 112 2HB LEU 112 -5.696 1.758 -5.790 973 HB3 LEU 112 1HB LEU 112 -6.482 1.075 -7.208 974 HG LEU 112 HG LEU 112 -5.323 3.886 -7.065 975 HD11 LEU 112 1HD1 LEU 112 -3.510 3.043 -8.470 976 HD12 LEU 112 2HD1 LEU 112 -4.165 1.407 -8.353 977 HD13 LEU 112 3HD1 LEU 112 -3.556 2.224 -6.909 978 HD21 LEU 112 3HD2 LEU 112 -6.402 2.332 -9.443 979 HD22 LEU 112 1HD2 LEU 112 -5.616 3.915 -9.506 980 HD23 LEU 112 2HD2 LEU 112 -7.158 3.732 -8.676 981 H VAL 113 H VAL 113 -7.407 1.817 -3.753 982 HA VAL 113 HA VAL 113 -8.841 -0.616 -3.684 983 HB VAL 113 HB VAL 113 -8.118 1.280 -1.388 984 HG11 VAL 113 1HG1 VAL 113 -9.070 -1.601 -1.262 985 HG12 VAL 113 2HG1 VAL 113 -9.947 -0.185 -0.680 986 HG13 VAL 113 3HG1 VAL 113 -8.450 -0.681 0.108 987 HG21 VAL 113 3HG2 VAL 113 -6.720 -1.260 -2.310 988 HG22 VAL 113 1HG2 VAL 113 -6.245 -0.257 -0.936 989 HG23 VAL 113 2HG2 VAL 113 -6.138 0.380 -2.578 990 H ARG 114 H ARG 114 -9.732 2.752 -2.954 991 HA ARG 114 HA ARG 114 -12.334 2.232 -1.950 992 HB2 ARG 114 2HB ARG 114 -11.175 4.315 -1.422 993 HB3 ARG 114 1HB ARG 114 -11.159 4.774 -3.121 994 HG2 ARG 114 2HG ARG 114 -13.636 4.937 -3.105 995 HG3 ARG 114 1HG ARG 114 -13.656 4.464 -1.402 996 HD2 ARG 114 2HD ARG 114 -12.405 6.977 -2.565 997 HD3 ARG 114 1HD ARG 114 -13.903 6.889 -1.636 998 HE ARG 114 HE ARG 114 -12.491 6.063 0.258 999 HH11 ARG 114 1HH1 ARG 114 -11.060 8.144 -2.206 1000 HH12 ARG 114 2HH1 ARG 114 -9.826 8.741 -1.146 1001 HH21 ARG 114 1HH2 ARG 114 -10.834 6.820 1.605 1002 HH22 ARG 114 2HH2 ARG 114 -9.702 7.986 1.020 1003 H GLU 115 H GLU 115 -11.117 2.988 -5.216 1004 HA GLU 115 HA GLU 115 -13.679 3.089 -6.483 1005 HB2 GLU 115 2HB GLU 115 -10.936 2.489 -7.681 1006 HB3 GLU 115 1HB GLU 115 -12.398 2.801 -8.618 1007 HG2 GLU 115 2HG GLU 115 -10.942 4.754 -6.806 1008 HG3 GLU 115 1HG GLU 115 -11.003 4.788 -8.563 1009 H CYS 116 H CYS 116 -11.343 0.554 -5.776 1010 HA CYS 116 HA CYS 116 -12.709 -1.514 -7.213 1011 HB2 CYS 116 2HB CYS 116 -10.293 -1.622 -6.868 1012 HB3 CYS 116 1HB CYS 116 -10.527 -1.717 -5.125 1013 HG CYS 116 HG CYS 116 -10.901 -4.103 -7.471 1014 H LEU 117 H LEU 117 -13.057 -0.150 -3.991 1015 HA LEU 117 HA LEU 117 -14.470 -2.184 -2.686 1016 HB2 LEU 117 2HB LEU 117 -14.918 0.823 -2.603 1017 HB3 LEU 117 1HB LEU 117 -15.817 -0.287 -1.582 1018 HG LEU 117 HG LEU 117 -12.795 0.096 -1.486 1019 HD11 LEU 117 1HD1 LEU 117 -13.180 1.255 0.630 1020 HD12 LEU 117 2HD1 LEU 117 -14.929 1.111 0.408 1021 HD13 LEU 117 3HD1 LEU 117 -13.970 2.092 -0.708 1022 HD21 LEU 117 3HD2 LEU 117 -12.833 -1.231 0.534 1023 HD22 LEU 117 1HD2 LEU 117 -13.549 -2.159 -0.779 1024 HD23 LEU 117 2HD2 LEU 117 -14.589 -1.417 0.437 1025 H ALA 118 H ALA 118 -15.498 0.091 -5.175 1026 HA ALA 118 HA ALA 118 -18.268 -0.353 -5.186 1027 HB1 ALA 118 3HB ALA 118 -18.247 0.705 -7.403 1028 HB2 ALA 118 1HB ALA 118 -16.495 0.503 -7.496 1029 HB3 ALA 118 2HB ALA 118 -17.197 1.576 -6.280 1030 H GLU 119 H GLU 119 -15.860 -1.718 -7.559 1031 HA GLU 119 HA GLU 119 -17.567 -3.598 -8.703 1032 HB2 GLU 119 2HB GLU 119 -15.480 -4.795 -9.457 1033 HB3 GLU 119 1HB GLU 119 -15.508 -3.076 -9.841 1034 HG2 GLU 119 2HG GLU 119 -13.926 -2.558 -8.168 1035 HG3 GLU 119 1HG GLU 119 -14.107 -4.128 -7.381 1036 H THR 120 H THR 120 -15.395 -3.988 -5.939 1037 HA THR 120 HA THR 120 -15.737 -6.751 -5.455 1038 HB THR 120 HB THR 120 -14.935 -4.470 -3.601 1039 HG1 THR 120 HG1 THR 120 -13.442 -4.910 -5.257 1040 HG21 THR 120 3HG2 THR 120 -14.807 -7.452 -3.052 1041 HG22 THR 120 1HG2 THR 120 -15.781 -6.268 -2.176 1042 HG23 THR 120 2HG2 THR 120 -14.023 -6.212 -2.080 1043 H GLU 121 H GLU 121 -17.648 -3.944 -4.480 1044 HA GLU 121 HA GLU 121 -19.350 -5.205 -2.581 1045 HB2 GLU 121 2HB GLU 121 -19.021 -2.760 -2.740 1046 HB3 GLU 121 1HB GLU 121 -19.821 -2.744 -4.307 1047 HG2 GLU 121 2HG GLU 121 -21.938 -3.326 -3.311 1048 HG3 GLU 121 1HG GLU 121 -21.181 -3.627 -1.748 1049 H ARG 122 H ARG 122 -19.587 -4.643 -6.085 1050 HA ARG 122 HA ARG 122 -22.192 -5.870 -6.369 1051 HB2 ARG 122 2HB ARG 122 -20.121 -5.095 -8.476 1052 HB3 ARG 122 1HB ARG 122 -21.797 -5.555 -8.805 1053 HG2 ARG 122 2HG ARG 122 -22.606 -3.600 -7.561 1054 HG3 ARG 122 1HG ARG 122 -20.951 -3.150 -7.147 1055 HD2 ARG 122 2HD ARG 122 -20.472 -2.842 -9.567 1056 HD3 ARG 122 1HD ARG 122 -22.161 -3.200 -9.930 1057 HE ARG 122 HE ARG 122 -22.800 -1.168 -8.865 1058 HH11 ARG 122 1HH1 ARG 122 -19.304 -1.467 -9.151 1059 HH12 ARG 122 2HH1 ARG 122 -19.021 0.232 -8.944 1060 HH21 ARG 122 1HH2 ARG 122 -22.403 1.063 -8.636 1061 HH22 ARG 122 2HH2 ARG 122 -20.772 1.656 -8.651 1062 H ASN 123 H ASN 123 -18.966 -7.004 -6.179 1063 HA ASN 123 HA ASN 123 -19.484 -9.644 -7.335 1064 HB2 ASN 123 2HB ASN 123 -17.057 -8.429 -5.941 1065 HB3 ASN 123 1HB ASN 123 -17.115 -10.107 -6.470 1066 HD21 ASN 123 1HD2 ASN 123 -15.135 -9.107 -7.568 1067 HD22 ASN 123 2HD2 ASN 123 -15.382 -8.508 -9.169 1068 H ALA 124 H ALA 124 -19.831 -8.065 -4.313 1069 HA ALA 124 HA ALA 124 -19.880 -10.513 -2.707 1070 HB1 ALA 124 3HB ALA 124 -18.897 -8.487 -1.746 1071 HB2 ALA 124 1HB ALA 124 -20.329 -8.967 -0.832 1072 HB3 ALA 124 2HB ALA 124 -20.416 -7.616 -1.966 1073 H ARG 125 H ARG 125 -21.892 -10.277 -1.026 1074 HA ARG 125 HA ARG 125 -24.445 -9.942 -2.462 1075 HB2 ARG 125 2HB ARG 125 -23.891 -12.308 -2.738 1076 HB3 ARG 125 1HB ARG 125 -23.482 -12.462 -1.032 1077 HG2 ARG 125 2HG ARG 125 -25.915 -11.979 -0.498 1078 HG3 ARG 125 1HG ARG 125 -26.248 -12.071 -2.230 1079 HD2 ARG 125 2HD ARG 125 -25.533 -14.390 -2.294 1080 HD3 ARG 125 1HD ARG 125 -24.980 -14.308 -0.616 1081 HE ARG 125 HE ARG 125 -27.730 -13.653 -0.750 1082 HH11 ARG 125 1HH1 ARG 125 -25.584 -16.439 -0.948 1083 HH12 ARG 125 2HH1 ARG 125 -26.791 -17.559 -0.403 1084 HH21 ARG 125 1HH2 ARG 125 -29.312 -15.144 -0.077 1085 HH22 ARG 125 2HH2 ARG 125 -28.901 -16.822 0.088 1086 H THR 126 H THR 126 -25.737 -8.712 -1.213 1087 HA THR 126 HA THR 126 -25.824 -9.106 1.704 1088 HB THR 126 HB THR 126 -26.019 -6.506 1.943 1089 HG1 THR 126 HG1 THR 126 -24.801 -6.746 -0.615 1090 HG21 THR 126 3HG2 THR 126 -24.101 -7.710 2.892 1091 HG22 THR 126 1HG2 THR 126 -23.564 -6.194 2.162 1092 HG23 THR 126 2HG2 THR 126 -23.300 -7.723 1.319 Start of MODEL 13 1 H1 SER 58 1H SER 58 -8.235 10.110 27.647 2 H2 SER 58 2H SER 58 -7.175 9.115 28.507 3 H3 SER 58 3H SER 58 -8.384 9.963 29.319 4 HA SER 58 HA SER 58 -8.924 7.627 29.083 5 HB2 SER 58 2HB SER 58 -10.705 9.507 27.474 6 HB3 SER 58 1HB SER 58 -11.214 7.978 28.196 7 HG SER 58 HG SER 58 -11.595 10.083 29.372 8 H HIS 59 H HIS 59 -8.761 5.844 27.859 9 HA HIS 59 HA HIS 59 -7.785 5.940 25.140 10 HB2 HIS 59 2HB HIS 59 -8.572 3.582 26.922 11 HB3 HIS 59 1HB HIS 59 -7.938 3.391 25.291 12 HD1 HIS 59 HD1 HIS 59 -5.431 4.052 24.908 13 HD2 HIS 59 HD2 HIS 59 -6.662 4.075 28.873 14 HE1 HIS 59 HE1 HIS 59 -3.319 4.059 26.270 15 HE2 HIS 59 HE2 HIS 59 -4.100 3.904 28.666 16 H MET 60 H MET 60 -9.518 7.063 24.130 17 HA MET 60 HA MET 60 -12.195 5.844 24.045 18 HB2 MET 60 2HB MET 60 -11.144 8.441 22.815 19 HB3 MET 60 1HB MET 60 -12.824 7.922 22.800 20 HG2 MET 60 2HG MET 60 -12.903 8.083 25.254 21 HG3 MET 60 1HG MET 60 -11.205 8.571 25.272 22 HE1 MET 60 3HE MET 60 -13.208 11.916 26.157 23 HE2 MET 60 1HE MET 60 -11.942 10.827 26.718 24 HE3 MET 60 2HE MET 60 -13.617 10.273 26.649 25 H ALA 61 H ALA 61 -12.215 4.119 22.737 26 HA ALA 61 HA ALA 61 -10.861 4.130 20.121 27 HB1 ALA 61 3HB ALA 61 -10.449 2.193 21.604 28 HB2 ALA 61 1HB ALA 61 -11.269 1.705 20.119 29 HB3 ALA 61 2HB ALA 61 -12.177 1.834 21.626 30 H MET 62 H MET 62 -12.230 5.475 18.985 31 HA MET 62 HA MET 62 -15.035 5.236 18.725 32 HB2 MET 62 2HB MET 62 -12.969 6.437 16.817 33 HB3 MET 62 1HB MET 62 -14.709 6.556 16.569 34 HG2 MET 62 2HG MET 62 -13.935 8.612 17.516 35 HG3 MET 62 1HG MET 62 -14.879 7.772 18.748 36 HE1 MET 62 3HE MET 62 -12.161 9.654 20.853 37 HE2 MET 62 1HE MET 62 -13.886 9.434 20.561 38 HE3 MET 62 2HE MET 62 -12.881 10.243 19.355 39 H LYS 63 H LYS 63 -15.882 3.303 18.178 40 HA LYS 63 HA LYS 63 -14.823 1.869 15.812 41 HB2 LYS 63 2HB LYS 63 -15.563 -0.260 16.984 42 HB3 LYS 63 1HB LYS 63 -14.191 0.553 17.718 43 HG2 LYS 63 2HG LYS 63 -15.658 1.468 19.483 44 HG3 LYS 63 1HG LYS 63 -17.053 0.684 18.751 45 HD2 LYS 63 2HD LYS 63 -14.643 -0.815 19.860 46 HD3 LYS 63 1HD LYS 63 -16.100 -0.475 20.787 47 HE2 LYS 63 2HE LYS 63 -16.332 -2.705 20.035 48 HE3 LYS 63 1HE LYS 63 -17.388 -1.759 18.992 49 HZ1 LYS 63 3HZ LYS 63 -16.108 -3.409 17.758 50 HZ2 LYS 63 1HZ LYS 63 -14.660 -2.719 18.281 51 HZ3 LYS 63 2HZ LYS 63 -15.691 -1.851 17.266 52 HA PRO 64 HA PRO 64 -19.281 2.589 14.666 53 HB2 PRO 64 2HB PRO 64 -18.712 3.061 11.987 54 HB3 PRO 64 1HB PRO 64 -18.796 4.346 13.204 55 HG2 PRO 64 2HG PRO 64 -16.388 2.995 12.063 56 HG3 PRO 64 1HG PRO 64 -16.640 4.711 12.451 57 HD2 PRO 64 2HD PRO 64 -15.229 3.025 14.072 58 HD3 PRO 64 1HD PRO 64 -16.155 4.407 14.697 59 HA PRO 65 HA PRO 65 -18.974 -1.857 13.626 60 HB2 PRO 65 2HB PRO 65 -21.940 -1.622 13.211 61 HB3 PRO 65 1HB PRO 65 -21.028 -2.716 14.275 62 HG2 PRO 65 2HG PRO 65 -22.401 -0.682 15.296 63 HG3 PRO 65 1HG PRO 65 -20.817 -1.137 15.967 64 HD2 PRO 65 2HD PRO 65 -21.487 1.143 14.103 65 HD3 PRO 65 1HD PRO 65 -20.410 1.120 15.520 66 H GLY 66 H GLY 66 -17.848 -1.582 11.680 67 HA2 GLY 66 2HA GLY 66 -19.226 -0.685 9.254 68 HA3 GLY 66 1HA GLY 66 -17.504 -0.902 9.474 69 H ALA 67 H ALA 67 -20.232 -2.176 8.042 70 HA ALA 67 HA ALA 67 -18.715 -4.448 7.008 71 HB1 ALA 67 3HB ALA 67 -19.867 -5.424 8.962 72 HB2 ALA 67 1HB ALA 67 -20.509 -6.081 7.458 73 HB3 ALA 67 2HB ALA 67 -21.428 -4.865 8.353 74 H GLN 68 H GLN 68 -18.888 -4.152 4.870 75 HA GLN 68 HA GLN 68 -21.337 -3.078 3.628 76 HB2 GLN 68 2HB GLN 68 -18.511 -3.512 2.555 77 HB3 GLN 68 1HB GLN 68 -19.853 -2.978 1.544 78 HG2 GLN 68 2HG GLN 68 -20.091 -0.936 2.891 79 HG3 GLN 68 1HG GLN 68 -18.806 -1.478 3.965 80 HE21 GLN 68 1HE2 GLN 68 -19.513 -0.396 0.689 81 HE22 GLN 68 2HE2 GLN 68 -17.911 0.135 0.320 82 H GLY 69 H GLY 69 -19.926 -6.072 4.322 83 HA2 GLY 69 2HA GLY 69 -21.720 -7.846 3.754 84 HA3 GLY 69 1HA GLY 69 -21.259 -7.496 2.089 85 H SER 70 H SER 70 -20.008 -9.158 1.355 86 HA SER 70 HA SER 70 -17.909 -10.294 3.116 87 HB2 SER 70 2HB SER 70 -18.949 -11.286 0.438 88 HB3 SER 70 1HB SER 70 -17.814 -12.136 1.486 89 HG SER 70 HG SER 70 -19.425 -12.816 2.665 90 H GLN 71 H GLN 71 -17.653 -7.685 2.127 91 HA GLN 71 HA GLN 71 -15.386 -7.787 0.221 92 HB2 GLN 71 2HB GLN 71 -17.288 -6.226 -0.243 93 HB3 GLN 71 1HB GLN 71 -17.059 -5.459 1.325 94 HG2 GLN 71 2HG GLN 71 -14.821 -4.665 0.568 95 HG3 GLN 71 1HG GLN 71 -15.114 -5.399 -1.005 96 HE21 GLN 71 1HE2 GLN 71 -16.177 -2.887 1.209 97 HE22 GLN 71 2HE2 GLN 71 -16.968 -1.920 0.016 98 H SER 72 H SER 72 -15.064 -8.895 2.831 99 HA SER 72 HA SER 72 -14.468 -6.894 4.825 100 HB2 SER 72 2HB SER 72 -14.219 -9.943 4.950 101 HB3 SER 72 1HB SER 72 -14.129 -8.833 6.321 102 HG SER 72 HG SER 72 -16.372 -8.361 4.897 103 H THR 73 H THR 73 -12.578 -9.319 2.955 104 HA THR 73 HA THR 73 -10.043 -8.596 4.091 105 HB THR 73 HB THR 73 -10.548 -10.843 3.089 106 HG1 THR 73 HG1 THR 73 -8.399 -9.889 1.566 107 HG21 THR 73 3HG2 THR 73 -10.297 -9.434 0.410 108 HG22 THR 73 1HG2 THR 73 -11.783 -10.126 1.068 109 HG23 THR 73 2HG2 THR 73 -10.425 -11.175 0.662 110 H TYR 74 H TYR 74 -11.990 -7.326 1.492 111 HA TYR 74 HA TYR 74 -9.809 -5.904 0.210 112 HB2 TYR 74 2HB TYR 74 -11.809 -6.812 -1.068 113 HB3 TYR 74 1HB TYR 74 -12.790 -5.554 -0.317 114 HD1 TYR 74 HD1 TYR 74 -9.400 -5.679 -1.909 115 HD2 TYR 74 HD2 TYR 74 -13.219 -3.774 -1.844 116 HE1 TYR 74 HE1 TYR 74 -8.641 -4.102 -3.613 117 HE2 TYR 74 HE2 TYR 74 -12.454 -2.193 -3.569 118 HH TYR 74 HH TYR 74 -9.535 -2.614 -5.301 119 H THR 75 H THR 75 -12.261 -5.252 2.596 120 HA THR 75 HA THR 75 -11.807 -2.392 2.773 121 HB THR 75 HB THR 75 -13.320 -4.294 4.623 122 HG1 THR 75 HG1 THR 75 -14.025 -3.902 2.334 123 HG21 THR 75 3HG2 THR 75 -12.703 -2.202 5.814 124 HG22 THR 75 1HG2 THR 75 -14.441 -2.268 5.506 125 HG23 THR 75 2HG2 THR 75 -13.405 -1.250 4.505 126 H ASP 76 H ASP 76 -10.775 -5.353 4.353 127 HA ASP 76 HA ASP 76 -9.070 -4.368 6.330 128 HB2 ASP 76 2HB ASP 76 -9.498 -6.756 6.182 129 HB3 ASP 76 1HB ASP 76 -8.855 -6.834 4.551 130 H LEU 77 H LEU 77 -8.450 -4.996 2.865 131 HA LEU 77 HA LEU 77 -5.798 -4.172 2.665 132 HB2 LEU 77 2HB LEU 77 -6.955 -5.305 0.837 133 HB3 LEU 77 1HB LEU 77 -8.077 -3.969 0.656 134 HG LEU 77 HG LEU 77 -6.263 -2.522 -0.209 135 HD11 LEU 77 1HD1 LEU 77 -4.050 -3.407 -0.736 136 HD12 LEU 77 2HD1 LEU 77 -4.451 -4.929 0.063 137 HD13 LEU 77 3HD1 LEU 77 -4.352 -3.435 1.000 138 HD21 LEU 77 3HD2 LEU 77 -5.888 -3.648 -2.351 139 HD22 LEU 77 1HD2 LEU 77 -7.554 -3.823 -1.806 140 HD23 LEU 77 2HD2 LEU 77 -6.431 -5.176 -1.653 141 H LEU 78 H LEU 78 -8.762 -2.212 2.400 142 HA LEU 78 HA LEU 78 -7.614 0.291 1.825 143 HB2 LEU 78 2HB LEU 78 -10.049 -0.305 1.641 144 HB3 LEU 78 1HB LEU 78 -10.150 -0.312 3.391 145 HG LEU 78 HG LEU 78 -9.575 2.139 3.396 146 HD11 LEU 78 1HD1 LEU 78 -8.382 2.282 1.266 147 HD12 LEU 78 2HD1 LEU 78 -9.718 3.428 1.330 148 HD13 LEU 78 3HD1 LEU 78 -9.878 1.942 0.391 149 HD21 LEU 78 3HD2 LEU 78 -11.896 1.409 3.552 150 HD22 LEU 78 1HD2 LEU 78 -12.027 1.390 1.790 151 HD23 LEU 78 2HD2 LEU 78 -11.767 2.913 2.643 152 H SER 79 H SER 79 -8.308 -1.347 4.879 153 HA SER 79 HA SER 79 -7.535 0.737 6.649 154 HB2 SER 79 2HB SER 79 -7.685 -2.269 7.104 155 HB3 SER 79 1HB SER 79 -7.563 -1.046 8.373 156 HG SER 79 HG SER 79 -9.610 -0.960 6.439 157 H VAL 80 H VAL 80 -5.754 -1.896 5.077 158 HA VAL 80 HA VAL 80 -3.317 -1.649 6.517 159 HB VAL 80 HB VAL 80 -3.732 -2.667 3.652 160 HG11 VAL 80 1HG1 VAL 80 -1.532 -3.784 3.911 161 HG12 VAL 80 2HG1 VAL 80 -1.317 -2.994 5.474 162 HG13 VAL 80 3HG1 VAL 80 -1.379 -2.027 3.999 163 HG21 VAL 80 3HG2 VAL 80 -3.622 -4.927 4.645 164 HG22 VAL 80 1HG2 VAL 80 -4.954 -3.998 5.334 165 HG23 VAL 80 2HG2 VAL 80 -3.470 -4.217 6.254 166 H ILE 81 H ILE 81 -4.534 -0.064 3.559 167 HA ILE 81 HA ILE 81 -2.307 1.445 2.817 168 HB ILE 81 HB ILE 81 -5.158 2.531 2.625 169 HG12 ILE 81 2HG1 ILE 81 -5.324 0.288 1.725 170 HG13 ILE 81 1HG1 ILE 81 -5.309 1.394 0.365 171 HG21 ILE 81 1HG2 ILE 81 -3.411 4.122 1.991 172 HG22 ILE 81 2HG2 ILE 81 -4.340 3.637 0.574 173 HG23 ILE 81 3HG2 ILE 81 -2.731 2.963 0.844 174 HD11 ILE 81 3HD1 ILE 81 -2.923 0.810 -0.020 175 HD12 ILE 81 1HD1 ILE 81 -4.020 -0.566 -0.141 176 HD13 ILE 81 2HD1 ILE 81 -3.032 -0.357 1.300 177 H GLU 82 H GLU 82 -4.775 2.105 5.235 178 HA GLU 82 HA GLU 82 -3.955 4.697 6.052 179 HB2 GLU 82 2HB GLU 82 -6.215 3.764 6.487 180 HB3 GLU 82 1HB GLU 82 -5.520 2.523 7.519 181 HG2 GLU 82 2HG GLU 82 -6.583 4.269 8.849 182 HG3 GLU 82 1HG GLU 82 -4.849 4.220 9.150 183 H GLU 83 H GLU 83 -3.261 1.449 7.266 184 HA GLU 83 HA GLU 83 -1.758 2.170 9.578 185 HB2 GLU 83 2HB GLU 83 -1.909 -0.430 8.006 186 HB3 GLU 83 1HB GLU 83 -1.109 -0.273 9.567 187 HG2 GLU 83 2HG GLU 83 -3.220 0.299 10.637 188 HG3 GLU 83 1HG GLU 83 -4.052 0.268 9.085 189 H MET 84 H MET 84 -0.931 1.769 6.249 190 HA MET 84 HA MET 84 1.951 1.736 6.680 191 HB2 MET 84 2HB MET 84 0.280 1.880 4.127 192 HB3 MET 84 1HB MET 84 2.041 1.840 4.150 193 HG2 MET 84 2HG MET 84 1.957 -0.364 5.283 194 HG3 MET 84 1HG MET 84 0.198 -0.332 5.183 195 HE1 MET 84 3HE MET 84 -1.126 -0.348 2.749 196 HE2 MET 84 1HE MET 84 -0.275 -0.508 1.214 197 HE3 MET 84 2HE MET 84 -0.139 0.984 2.144 198 H GLY 85 H GLY 85 -0.646 3.962 5.869 199 HA2 GLY 85 2HA GLY 85 0.774 6.215 4.989 200 HA3 GLY 85 1HA GLY 85 -0.814 6.235 5.722 201 H LYS 86 H LYS 86 0.175 5.082 8.236 202 HA LYS 86 HA LYS 86 1.184 7.565 9.443 203 HB2 LYS 86 2HB LYS 86 0.614 6.497 11.593 204 HB3 LYS 86 1HB LYS 86 -0.754 6.544 10.494 205 HG2 LYS 86 2HG LYS 86 -0.201 4.110 9.902 206 HG3 LYS 86 1HG LYS 86 0.924 4.142 11.264 207 HD2 LYS 86 2HD LYS 86 -1.209 3.168 11.964 208 HD3 LYS 86 1HD LYS 86 -0.955 4.702 12.795 209 HE2 LYS 86 2HE LYS 86 -2.466 5.794 11.130 210 HE3 LYS 86 1HE LYS 86 -2.758 4.210 10.404 211 HZ1 LYS 86 3HZ LYS 86 -3.445 5.033 13.178 212 HZ2 LYS 86 1HZ LYS 86 -3.625 3.466 12.583 213 HZ3 LYS 86 2HZ LYS 86 -4.524 4.731 11.923 214 H GLU 87 H GLU 87 2.387 4.554 8.365 215 HA GLU 87 HA GLU 87 4.507 4.329 10.350 216 HB2 GLU 87 2HB GLU 87 3.027 2.415 9.039 217 HB3 GLU 87 1HB GLU 87 4.453 2.479 8.020 218 HG2 GLU 87 2HG GLU 87 4.641 0.717 9.701 219 HG3 GLU 87 1HG GLU 87 5.894 1.945 9.888 220 H ILE 88 H ILE 88 4.099 5.700 7.226 221 HA ILE 88 HA ILE 88 6.551 5.465 5.945 222 HB ILE 88 HB ILE 88 4.675 7.875 5.995 223 HG12 ILE 88 2HG1 ILE 88 4.765 5.568 4.003 224 HG13 ILE 88 1HG1 ILE 88 3.629 5.685 5.337 225 HG21 ILE 88 1HG2 ILE 88 5.606 8.477 3.780 226 HG22 ILE 88 2HG2 ILE 88 6.781 7.170 3.926 227 HG23 ILE 88 3HG2 ILE 88 6.837 8.532 5.043 228 HD11 ILE 88 3HD1 ILE 88 3.822 7.580 3.011 229 HD12 ILE 88 1HD1 ILE 88 2.695 7.721 4.364 230 HD13 ILE 88 2HD1 ILE 88 2.595 6.340 3.272 231 H ARG 89 H ARG 89 5.562 8.036 8.153 232 HA ARG 89 HA ARG 89 8.045 9.446 8.067 233 HB2 ARG 89 2HB ARG 89 5.981 10.664 8.528 234 HB3 ARG 89 1HB ARG 89 5.783 9.810 10.056 235 HG2 ARG 89 2HG ARG 89 7.767 10.862 10.977 236 HG3 ARG 89 1HG ARG 89 8.148 11.607 9.424 237 HD2 ARG 89 2HD ARG 89 6.180 13.033 9.576 238 HD3 ARG 89 1HD ARG 89 5.659 12.208 11.052 239 HE ARG 89 HE ARG 89 7.941 13.038 11.938 240 HH11 ARG 89 1HH1 ARG 89 5.851 14.900 9.773 241 HH12 ARG 89 2HH1 ARG 89 6.414 16.432 10.361 242 HH21 ARG 89 1HH2 ARG 89 8.629 15.023 12.722 243 HH22 ARG 89 2HH2 ARG 89 8.007 16.499 12.051 244 HA PRO 90 HA PRO 90 9.171 7.444 12.433 245 HB2 PRO 90 2HB PRO 90 8.087 4.873 12.760 246 HB3 PRO 90 1HB PRO 90 7.499 6.340 13.562 247 HG2 PRO 90 2HG PRO 90 6.433 4.998 11.086 248 HG3 PRO 90 1HG PRO 90 5.560 5.722 12.468 249 HD2 PRO 90 2HD PRO 90 5.796 7.059 10.158 250 HD3 PRO 90 1HD PRO 90 5.889 7.918 11.712 251 H THR 91 H THR 91 8.454 5.265 9.637 252 HA THR 91 HA THR 91 10.878 3.802 9.619 253 HB THR 91 HB THR 91 9.017 4.609 7.348 254 HG1 THR 91 HG1 THR 91 7.900 3.032 8.192 255 HG21 THR 91 3HG2 THR 91 11.250 2.553 7.243 256 HG22 THR 91 1HG2 THR 91 11.198 4.063 6.325 257 HG23 THR 91 2HG2 THR 91 10.017 2.788 6.004 258 H TYR 92 H TYR 92 9.998 6.821 8.012 259 HA TYR 92 HA TYR 92 12.385 7.537 6.766 260 HB2 TYR 92 2HB TYR 92 10.219 8.628 6.333 261 HB3 TYR 92 1HB TYR 92 10.180 9.272 7.965 262 HD1 TYR 92 HD2 TYR 92 12.109 9.429 4.771 263 HD2 TYR 92 HD1 TYR 92 11.073 11.445 8.391 264 HE1 TYR 92 HE2 TYR 92 13.169 11.456 3.944 265 HE2 TYR 92 HE1 TYR 92 12.131 13.500 7.543 266 HH TYR 92 HH TYR 92 13.825 14.161 5.883 267 H ALA 93 H ALA 93 11.343 7.881 10.104 268 HA ALA 93 HA ALA 93 13.547 9.588 10.944 269 HB1 ALA 93 3HB ALA 93 11.358 8.216 12.549 270 HB2 ALA 93 1HB ALA 93 11.306 9.866 11.918 271 HB3 ALA 93 2HB ALA 93 12.478 9.437 13.164 272 H GLY 94 H GLY 94 13.640 6.511 10.033 273 HA2 GLY 94 2HA GLY 94 15.388 5.050 10.221 274 HA3 GLY 94 1HA GLY 94 16.021 5.962 11.575 275 H SER 95 H SER 95 12.762 5.126 12.108 276 HA SER 95 HA SER 95 13.424 3.155 14.091 277 HB2 SER 95 2HB SER 95 10.680 3.889 12.984 278 HB3 SER 95 1HB SER 95 11.010 3.023 14.487 279 HG SER 95 HG SER 95 12.399 5.300 14.482 280 H LYS 96 H LYS 96 14.297 1.319 13.281 281 HA LYS 96 HA LYS 96 13.543 -0.106 10.967 282 HB2 LYS 96 2HB LYS 96 14.944 -1.930 11.884 283 HB3 LYS 96 1HB LYS 96 15.732 -0.365 12.006 284 HG2 LYS 96 2HG LYS 96 14.992 -0.273 14.426 285 HG3 LYS 96 1HG LYS 96 14.463 -1.950 14.258 286 HD2 LYS 96 2HD LYS 96 16.786 -2.621 13.677 287 HD3 LYS 96 1HD LYS 96 17.309 -0.940 13.830 288 HE2 LYS 96 2HE LYS 96 17.880 -2.202 15.849 289 HE3 LYS 96 1HE LYS 96 16.683 -0.963 16.222 290 HZ1 LYS 96 3HZ LYS 96 14.965 -2.665 16.181 291 HZ2 LYS 96 1HZ LYS 96 16.167 -3.069 17.298 292 HZ3 LYS 96 2HZ LYS 96 16.102 -3.853 15.805 293 H SER 97 H SER 97 12.193 -0.101 14.187 294 HA SER 97 HA SER 97 10.609 -2.446 14.036 295 HB2 SER 97 2HB SER 97 10.069 0.153 15.556 296 HB3 SER 97 1HB SER 97 9.310 -1.411 15.870 297 HG SER 97 HG SER 97 11.580 -0.486 16.864 298 H ALA 98 H ALA 98 9.913 0.974 13.261 299 HA ALA 98 HA ALA 98 7.324 0.687 12.218 300 HB1 ALA 98 3HB ALA 98 8.305 2.844 12.872 301 HB2 ALA 98 1HB ALA 98 7.711 2.895 11.207 302 HB3 ALA 98 2HB ALA 98 9.443 2.745 11.527 303 H MET 99 H MET 99 10.503 0.621 10.622 304 HA MET 99 HA MET 99 9.698 0.383 7.952 305 HB2 MET 99 2HB MET 99 12.026 0.866 8.673 306 HB3 MET 99 1HB MET 99 12.170 -0.757 9.334 307 HG2 MET 99 2HG MET 99 11.909 -1.682 7.037 308 HG3 MET 99 1HG MET 99 11.852 -0.032 6.414 309 HE1 MET 99 3HE MET 99 15.580 -1.840 8.487 310 HE2 MET 99 1HE MET 99 14.082 -2.736 8.248 311 HE3 MET 99 2HE MET 99 14.129 -1.388 9.386 312 H GLU 100 H GLU 100 10.335 -2.094 10.407 313 HA GLU 100 HA GLU 100 9.911 -4.441 8.943 314 HB2 GLU 100 2HB GLU 100 10.900 -4.447 11.183 315 HB3 GLU 100 1HB GLU 100 9.417 -3.810 11.888 316 HG2 GLU 100 2HG GLU 100 8.255 -5.935 11.236 317 HG3 GLU 100 1HG GLU 100 9.799 -6.557 10.653 318 H ARG 101 H ARG 101 7.638 -2.488 10.822 319 HA ARG 101 HA ARG 101 5.328 -4.098 10.501 320 HB2 ARG 101 2HB ARG 101 5.848 -2.319 12.257 321 HB3 ARG 101 1HB ARG 101 5.490 -1.100 11.054 322 HG2 ARG 101 2HG ARG 101 3.487 -3.149 12.046 323 HG3 ARG 101 1HG ARG 101 3.685 -1.548 12.746 324 HD2 ARG 101 2HD ARG 101 3.204 -0.714 10.294 325 HD3 ARG 101 1HD ARG 101 2.517 -2.328 10.076 326 HE ARG 101 HE ARG 101 1.625 -0.358 12.097 327 HH11 ARG 101 1HH1 ARG 101 0.818 -2.981 9.866 328 HH12 ARG 101 2HH1 ARG 101 -0.872 -2.929 10.256 329 HH21 ARG 101 1HH2 ARG 101 -0.550 -0.330 12.581 330 HH22 ARG 101 2HH2 ARG 101 -1.636 -1.427 11.793 331 H LEU 102 H LEU 102 6.640 -1.357 8.736 332 HA LEU 102 HA LEU 102 4.464 -0.804 6.992 333 HB2 LEU 102 2HB LEU 102 6.195 0.842 7.597 334 HB3 LEU 102 1HB LEU 102 7.432 -0.144 6.842 335 HG LEU 102 HG LEU 102 6.437 0.317 4.606 336 HD11 LEU 102 1HD1 LEU 102 4.095 0.657 5.244 337 HD12 LEU 102 2HD1 LEU 102 4.719 2.023 4.325 338 HD13 LEU 102 3HD1 LEU 102 4.531 2.154 6.076 339 HD21 LEU 102 3HD2 LEU 102 7.136 2.641 4.456 340 HD22 LEU 102 1HD2 LEU 102 8.235 1.734 5.492 341 HD23 LEU 102 2HD2 LEU 102 7.034 2.814 6.208 342 H LYS 103 H LYS 103 7.504 -2.646 6.571 343 HA LYS 103 HA LYS 103 7.119 -3.439 3.887 344 HB2 LYS 103 2HB LYS 103 8.734 -4.739 6.119 345 HB3 LYS 103 1HB LYS 103 8.772 -5.290 4.448 346 HG2 LYS 103 2HG LYS 103 9.593 -3.000 3.786 347 HG3 LYS 103 1HG LYS 103 9.696 -2.603 5.502 348 HD2 LYS 103 2HD LYS 103 11.899 -3.277 4.671 349 HD3 LYS 103 1HD LYS 103 11.301 -4.469 5.830 350 HE2 LYS 103 2HE LYS 103 10.615 -5.937 3.959 351 HE3 LYS 103 1HE LYS 103 11.204 -4.740 2.805 352 HZ1 LYS 103 3HZ LYS 103 13.431 -5.062 3.590 353 HZ2 LYS 103 1HZ LYS 103 12.784 -6.573 3.208 354 HZ3 LYS 103 2HZ LYS 103 12.924 -6.093 4.823 355 H ARG 104 H ARG 104 6.291 -5.024 6.970 356 HA ARG 104 HA ARG 104 5.184 -7.395 5.919 357 HB2 ARG 104 2HB ARG 104 5.771 -7.080 8.342 358 HB3 ARG 104 1HB ARG 104 4.428 -5.956 8.506 359 HG2 ARG 104 2HG ARG 104 2.870 -7.840 7.850 360 HG3 ARG 104 1HG ARG 104 4.257 -8.925 7.905 361 HD2 ARG 104 2HD ARG 104 4.545 -8.490 10.294 362 HD3 ARG 104 1HD ARG 104 3.240 -7.296 10.256 363 HE ARG 104 HE ARG 104 2.780 -10.141 9.586 364 HH11 ARG 104 1HH1 ARG 104 1.832 -7.315 11.453 365 HH12 ARG 104 2HH1 ARG 104 0.423 -8.078 12.112 366 HH21 ARG 104 1HH2 ARG 104 0.914 -11.118 10.452 367 HH22 ARG 104 2HH2 ARG 104 -0.083 -10.215 11.546 368 H GLY 105 H GLY 105 3.799 -4.212 6.595 369 HA2 GLY 105 2HA GLY 105 1.075 -4.748 6.131 370 HA3 GLY 105 1HA GLY 105 1.864 -3.185 5.996 371 H ILE 106 H ILE 106 3.667 -3.711 3.941 372 HA ILE 106 HA ILE 106 2.007 -3.517 1.629 373 HB ILE 106 HB ILE 106 4.957 -3.289 2.197 374 HG12 ILE 106 2HG1 ILE 106 3.136 -1.476 0.571 375 HG13 ILE 106 1HG1 ILE 106 3.227 -1.396 2.323 376 HG21 ILE 106 1HG2 ILE 106 5.541 -3.037 -0.185 377 HG22 ILE 106 2HG2 ILE 106 3.926 -3.577 -0.633 378 HG23 ILE 106 3HG2 ILE 106 5.023 -4.682 0.191 379 HD11 ILE 106 3HD1 ILE 106 4.534 0.326 1.205 380 HD12 ILE 106 1HD1 ILE 106 5.548 -0.918 0.471 381 HD13 ILE 106 2HD1 ILE 106 5.511 -0.720 2.225 382 H ILE 107 H ILE 107 4.098 -6.099 2.907 383 HA ILE 107 HA ILE 107 3.874 -7.906 0.724 384 HB ILE 107 HB ILE 107 4.459 -8.345 3.686 385 HG12 ILE 107 2HG1 ILE 107 6.243 -8.485 1.210 386 HG13 ILE 107 1HG1 ILE 107 6.179 -7.145 2.345 387 HG21 ILE 107 1HG2 ILE 107 5.165 -10.657 3.142 388 HG22 ILE 107 2HG2 ILE 107 4.524 -10.463 1.511 389 HG23 ILE 107 3HG2 ILE 107 3.436 -10.414 2.898 390 HD11 ILE 107 3HD1 ILE 107 7.144 -9.935 2.949 391 HD12 ILE 107 1HD1 ILE 107 7.057 -8.600 4.104 392 HD13 ILE 107 2HD1 ILE 107 8.133 -8.495 2.711 393 H HIS 108 H HIS 108 1.963 -7.453 3.644 394 HA HIS 108 HA HIS 108 -0.074 -9.362 3.301 395 HB2 HIS 108 2HB HIS 108 0.310 -8.046 5.393 396 HB3 HIS 108 1HB HIS 108 -0.252 -6.596 4.577 397 HD1 HIS 108 HD1 HIS 108 -2.037 -6.314 6.386 398 HD2 HIS 108 HD2 HIS 108 -2.430 -9.831 4.213 399 HE1 HIS 108 HE1 HIS 108 -4.309 -7.195 6.958 400 HE2 HIS 108 HE2 HIS 108 -4.622 -9.163 5.419 401 H ALA 109 H ALA 109 0.041 -5.937 2.334 402 HA ALA 109 HA ALA 109 -2.540 -5.758 1.207 403 HB1 ALA 109 3HB ALA 109 -1.252 -3.815 1.979 404 HB2 ALA 109 1HB ALA 109 -1.751 -3.612 0.300 405 HB3 ALA 109 2HB ALA 109 -0.082 -4.053 0.678 406 H ARG 110 H ARG 110 0.570 -6.590 -0.181 407 HA ARG 110 HA ARG 110 -0.087 -6.331 -2.933 408 HB2 ARG 110 2HB ARG 110 2.215 -6.343 -1.743 409 HB3 ARG 110 1HB ARG 110 2.135 -8.089 -1.783 410 HG2 ARG 110 2HG ARG 110 1.989 -6.351 -4.268 411 HG3 ARG 110 1HG ARG 110 3.510 -6.928 -3.596 412 HD2 ARG 110 2HD ARG 110 2.894 -9.234 -4.030 413 HD3 ARG 110 1HD ARG 110 1.267 -8.753 -4.522 414 HE ARG 110 HE ARG 110 3.211 -7.449 -6.127 415 HH11 ARG 110 1HH1 ARG 110 1.773 -10.648 -5.668 416 HH12 ARG 110 2HH1 ARG 110 2.055 -11.135 -7.312 417 HH21 ARG 110 1HH2 ARG 110 3.555 -8.103 -8.261 418 HH22 ARG 110 2HH2 ARG 110 3.064 -9.685 -8.778 419 H ALA 111 H ALA 111 -0.128 -9.023 -0.632 420 HA ALA 111 HA ALA 111 -0.805 -11.115 -2.441 421 HB1 ALA 111 3HB ALA 111 0.159 -11.546 -0.210 422 HB2 ALA 111 1HB ALA 111 -1.380 -12.389 -0.404 423 HB3 ALA 111 2HB ALA 111 -1.296 -10.908 0.556 424 H LEU 112 H LEU 112 -2.658 -8.808 -0.534 425 HA LEU 112 HA LEU 112 -5.230 -9.959 -0.728 426 HB2 LEU 112 2HB LEU 112 -4.447 -7.040 -0.350 427 HB3 LEU 112 1HB LEU 112 -6.084 -7.651 -0.149 428 HG LEU 112 HG LEU 112 -3.721 -8.588 1.530 429 HD11 LEU 112 1HD1 LEU 112 -5.849 -6.575 2.296 430 HD12 LEU 112 2HD1 LEU 112 -4.155 -6.211 1.958 431 HD13 LEU 112 3HD1 LEU 112 -4.577 -7.214 3.343 432 HD21 LEU 112 3HD2 LEU 112 -6.699 -9.000 1.922 433 HD22 LEU 112 1HD2 LEU 112 -5.419 -9.534 3.014 434 HD23 LEU 112 2HD2 LEU 112 -5.539 -10.227 1.400 435 H VAL 113 H VAL 113 -3.557 -7.613 -2.830 436 HA VAL 113 HA VAL 113 -5.850 -7.107 -4.502 437 HB VAL 113 HB VAL 113 -2.946 -6.496 -5.235 438 HG11 VAL 113 1HG1 VAL 113 -5.556 -5.207 -6.111 439 HG12 VAL 113 2HG1 VAL 113 -4.519 -6.247 -7.090 440 HG13 VAL 113 3HG1 VAL 113 -3.942 -4.661 -6.577 441 HG21 VAL 113 3HG2 VAL 113 -3.212 -4.274 -4.221 442 HG22 VAL 113 1HG2 VAL 113 -3.390 -5.545 -3.010 443 HG23 VAL 113 2HG2 VAL 113 -4.817 -4.721 -3.636 444 H ARG 114 H ARG 114 -2.878 -9.104 -4.833 445 HA ARG 114 HA ARG 114 -3.395 -9.740 -7.581 446 HB2 ARG 114 2HB ARG 114 -1.415 -11.175 -7.492 447 HB3 ARG 114 1HB ARG 114 -1.113 -9.590 -6.821 448 HG2 ARG 114 2HG ARG 114 0.065 -10.961 -5.400 449 HG3 ARG 114 1HG ARG 114 -1.436 -10.721 -4.508 450 HD2 ARG 114 2HD ARG 114 -0.555 -13.068 -4.480 451 HD3 ARG 114 1HD ARG 114 -2.204 -12.929 -5.091 452 HE ARG 114 HE ARG 114 0.157 -13.182 -6.874 453 HH11 ARG 114 1HH1 ARG 114 -3.058 -14.237 -5.949 454 HH12 ARG 114 2HH1 ARG 114 -3.236 -15.298 -7.307 455 HH21 ARG 114 1HH2 ARG 114 -0.132 -14.510 -8.706 456 HH22 ARG 114 2HH2 ARG 114 -1.578 -15.451 -8.866 457 H GLU 115 H GLU 115 -3.972 -11.508 -4.555 458 HA GLU 115 HA GLU 115 -4.961 -13.890 -5.816 459 HB2 GLU 115 2HB GLU 115 -5.332 -12.832 -2.986 460 HB3 GLU 115 1HB GLU 115 -5.917 -14.407 -3.524 461 HG2 GLU 115 2HG GLU 115 -3.567 -15.056 -4.068 462 HG3 GLU 115 1HG GLU 115 -3.030 -13.495 -3.437 463 H CYS 116 H CYS 116 -6.444 -10.860 -4.850 464 HA CYS 116 HA CYS 116 -9.170 -11.641 -5.184 465 HB2 CYS 116 2HB CYS 116 -8.379 -9.649 -3.879 466 HB3 CYS 116 1HB CYS 116 -7.963 -8.862 -5.396 467 HG CYS 116 HG CYS 116 -10.646 -8.907 -6.315 468 H LEU 117 H LEU 117 -6.627 -10.550 -7.393 469 HA LEU 117 HA LEU 117 -8.025 -9.859 -9.684 470 HB2 LEU 117 2HB LEU 117 -5.363 -11.260 -9.341 471 HB3 LEU 117 1HB LEU 117 -5.985 -10.953 -10.948 472 HG LEU 117 HG LEU 117 -5.391 -8.776 -8.894 473 HD11 LEU 117 1HD1 LEU 117 -3.780 -9.620 -11.329 474 HD12 LEU 117 2HD1 LEU 117 -3.321 -9.872 -9.643 475 HD13 LEU 117 3HD1 LEU 117 -3.441 -8.236 -10.284 476 HD21 LEU 117 3HD2 LEU 117 -5.667 -7.230 -10.779 477 HD22 LEU 117 1HD2 LEU 117 -7.150 -8.134 -10.487 478 HD23 LEU 117 2HD2 LEU 117 -6.105 -8.572 -11.840 479 H ALA 118 H ALA 118 -7.658 -13.055 -8.309 480 HA ALA 118 HA ALA 118 -8.246 -14.684 -10.516 481 HB1 ALA 118 3HB ALA 118 -7.395 -15.551 -8.375 482 HB2 ALA 118 1HB ALA 118 -8.861 -16.403 -8.862 483 HB3 ALA 118 2HB ALA 118 -8.931 -15.173 -7.598 484 H GLU 119 H GLU 119 -10.531 -13.505 -7.976 485 HA GLU 119 HA GLU 119 -12.860 -14.377 -9.422 486 HB2 GLU 119 2HB GLU 119 -14.087 -13.456 -7.482 487 HB3 GLU 119 1HB GLU 119 -12.757 -14.485 -6.972 488 HG2 GLU 119 2HG GLU 119 -11.405 -12.305 -6.672 489 HG3 GLU 119 1HG GLU 119 -12.948 -11.470 -6.813 490 H THR 120 H THR 120 -11.075 -11.399 -9.100 491 HA THR 120 HA THR 120 -13.085 -9.564 -10.015 492 HB THR 120 HB THR 120 -10.047 -9.248 -9.875 493 HG1 THR 120 HG1 THR 120 -12.075 -9.125 -8.010 494 HG21 THR 120 3HG2 THR 120 -10.459 -6.806 -9.831 495 HG22 THR 120 1HG2 THR 120 -12.175 -7.075 -10.115 496 HG23 THR 120 2HG2 THR 120 -10.994 -7.506 -11.358 497 H GLU 121 H GLU 121 -10.721 -11.613 -11.562 498 HA GLU 121 HA GLU 121 -10.653 -10.517 -14.150 499 HB2 GLU 121 2HB GLU 121 -9.077 -12.239 -13.349 500 HB3 GLU 121 1HB GLU 121 -10.379 -13.421 -13.271 501 HG2 GLU 121 2HG GLU 121 -8.903 -13.714 -15.244 502 HG3 GLU 121 1HG GLU 121 -10.588 -13.429 -15.686 503 H ARG 122 H ARG 122 -13.070 -12.543 -12.575 504 HA ARG 122 HA ARG 122 -14.522 -13.349 -14.895 505 HB2 ARG 122 2HB ARG 122 -15.510 -13.085 -12.025 506 HB3 ARG 122 1HB ARG 122 -16.314 -13.976 -13.318 507 HG2 ARG 122 2HG ARG 122 -14.411 -15.527 -13.464 508 HG3 ARG 122 1HG ARG 122 -13.565 -14.624 -12.204 509 HD2 ARG 122 2HD ARG 122 -16.176 -16.131 -11.887 510 HD3 ARG 122 1HD ARG 122 -14.591 -16.629 -11.276 511 HE ARG 122 HE ARG 122 -15.194 -14.064 -10.284 512 HH11 ARG 122 1HH1 ARG 122 -16.236 -17.404 -9.848 513 HH12 ARG 122 2HH1 ARG 122 -16.759 -17.139 -8.217 514 HH21 ARG 122 1HH2 ARG 122 -15.940 -13.737 -8.176 515 HH22 ARG 122 2HH2 ARG 122 -16.593 -15.065 -7.271 516 H ASN 123 H ASN 123 -14.422 -10.386 -13.143 517 HA ASN 123 HA ASN 123 -16.886 -9.227 -14.041 518 HB2 ASN 123 2HB ASN 123 -15.769 -8.295 -12.075 519 HB3 ASN 123 1HB ASN 123 -14.302 -7.958 -12.995 520 HD21 ASN 123 1HD2 ASN 123 -14.322 -6.189 -14.476 521 HD22 ASN 123 2HD2 ASN 123 -15.503 -4.931 -14.363 522 H ALA 124 H ALA 124 -17.109 -9.470 -16.198 523 HA ALA 124 HA ALA 124 -15.122 -8.789 -18.171 524 HB1 ALA 124 3HB ALA 124 -16.764 -10.579 -18.571 525 HB2 ALA 124 1HB ALA 124 -16.904 -9.321 -19.800 526 HB3 ALA 124 2HB ALA 124 -18.084 -9.412 -18.488 527 H ARG 125 H ARG 125 -17.824 -7.154 -16.618 528 HA ARG 125 HA ARG 125 -17.791 -4.898 -18.464 529 HB2 ARG 125 2HB ARG 125 -19.611 -3.944 -17.167 530 HB3 ARG 125 1HB ARG 125 -19.980 -5.617 -17.519 531 HG2 ARG 125 2HG ARG 125 -18.997 -4.594 -14.829 532 HG3 ARG 125 1HG ARG 125 -20.691 -4.825 -15.240 533 HD2 ARG 125 2HD ARG 125 -20.385 -7.221 -15.431 534 HD3 ARG 125 1HD ARG 125 -18.637 -7.064 -15.244 535 HE ARG 125 HE ARG 125 -19.332 -6.061 -12.945 536 HH11 ARG 125 1HH1 ARG 125 -20.839 -8.827 -14.520 537 HH12 ARG 125 2HH1 ARG 125 -21.315 -9.570 -13.026 538 HH21 ARG 125 1HH2 ARG 125 -19.933 -7.066 -11.002 539 HH22 ARG 125 2HH2 ARG 125 -20.794 -8.564 -11.029 540 H THR 126 H THR 126 -15.609 -4.288 -18.239 541 HA THR 126 HA THR 126 -14.584 -3.287 -15.709 542 HB THR 126 HB THR 126 -13.320 -3.006 -18.476 543 HG1 THR 126 HG1 THR 126 -13.312 -5.154 -16.618 544 HG21 THR 126 3HG2 THR 126 -12.085 -3.032 -15.693 545 HG22 THR 126 1HG2 THR 126 -12.304 -1.589 -16.699 546 HG23 THR 126 2HG2 THR 126 -11.213 -2.873 -17.215 547 H1 SER 58 1H SER 58 2.192 -23.339 9.790 548 H2 SER 58 2H SER 58 0.897 -22.657 10.629 549 H3 SER 58 3H SER 58 2.292 -23.118 11.458 550 HA SER 58 HA SER 58 2.236 -20.756 11.197 551 HB2 SER 58 2HB SER 58 4.440 -20.518 9.934 552 HB3 SER 58 1HB SER 58 4.452 -21.768 11.180 553 HG SER 58 HG SER 58 5.103 -22.089 8.700 554 H HIS 59 H HIS 59 2.413 -18.945 9.648 555 HA HIS 59 HA HIS 59 0.332 -19.053 7.684 556 HB2 HIS 59 2HB HIS 59 2.312 -16.813 8.339 557 HB3 HIS 59 1HB HIS 59 0.974 -16.640 7.210 558 HD1 HIS 59 HD1 HIS 59 -1.189 -15.905 8.165 559 HD2 HIS 59 HD2 HIS 59 1.374 -17.320 11.094 560 HE1 HIS 59 HE1 HIS 59 -2.307 -15.360 10.341 561 HE2 HIS 59 HE2 HIS 59 -0.648 -16.074 12.102 562 H MET 60 H MET 60 0.958 -20.586 6.158 563 HA MET 60 HA MET 60 3.165 -19.839 4.302 564 HB2 MET 60 2HB MET 60 1.785 -22.557 4.633 565 HB3 MET 60 1HB MET 60 3.096 -22.201 3.518 566 HG2 MET 60 2HG MET 60 4.575 -21.749 5.469 567 HG3 MET 60 1HG MET 60 3.249 -22.235 6.534 568 HE1 MET 60 3HE MET 60 5.737 -25.320 6.696 569 HE2 MET 60 1HE MET 60 4.867 -24.127 7.656 570 HE3 MET 60 2HE MET 60 6.172 -23.615 6.582 571 H ALA 61 H ALA 61 1.943 -18.303 3.172 572 HA ALA 61 HA ALA 61 -0.692 -18.943 2.091 573 HB1 ALA 61 3HB ALA 61 -0.231 -16.689 2.968 574 HB2 ALA 61 1HB ALA 61 -0.662 -16.631 1.260 575 HB3 ALA 61 2HB ALA 61 1.024 -16.452 1.753 576 H MET 62 H MET 62 -1.200 -19.061 -0.104 577 HA MET 62 HA MET 62 0.949 -19.994 -1.890 578 HB2 MET 62 2HB MET 62 -2.098 -20.131 -2.139 579 HB3 MET 62 1HB MET 62 -0.977 -20.753 -3.344 580 HG2 MET 62 2HG MET 62 -0.099 -22.365 -1.739 581 HG3 MET 62 1HG MET 62 -1.158 -21.712 -0.486 582 HE1 MET 62 3HE MET 62 -1.100 -24.813 -1.138 583 HE2 MET 62 1HE MET 62 -2.816 -25.202 -1.236 584 HE3 MET 62 2HE MET 62 -2.229 -24.135 0.040 585 H LYS 63 H LYS 63 0.986 -19.296 -4.120 586 HA LYS 63 HA LYS 63 0.043 -16.522 -4.635 587 HB2 LYS 63 2HB LYS 63 2.165 -16.288 -6.035 588 HB3 LYS 63 1HB LYS 63 2.421 -16.376 -4.300 589 HG2 LYS 63 2HG LYS 63 3.138 -18.724 -4.487 590 HG3 LYS 63 1HG LYS 63 2.795 -18.709 -6.217 591 HD2 LYS 63 2HD LYS 63 5.216 -18.493 -5.752 592 HD3 LYS 63 1HD LYS 63 4.587 -17.074 -6.591 593 HE2 LYS 63 2HE LYS 63 6.170 -16.467 -4.800 594 HE3 LYS 63 1HE LYS 63 4.565 -15.816 -4.477 595 HZ1 LYS 63 3HZ LYS 63 4.188 -17.573 -2.885 596 HZ2 LYS 63 1HZ LYS 63 5.627 -16.781 -2.496 597 HZ3 LYS 63 2HZ LYS 63 5.670 -18.294 -3.245 598 HA PRO 64 HA PRO 64 -1.538 -19.645 -7.756 599 HB2 PRO 64 2HB PRO 64 -4.212 -19.253 -7.528 600 HB3 PRO 64 1HB PRO 64 -3.309 -20.152 -6.292 601 HG2 PRO 64 2HG PRO 64 -4.284 -17.322 -6.223 602 HG3 PRO 64 1HG PRO 64 -4.293 -18.547 -4.933 603 HD2 PRO 64 2HD PRO 64 -2.370 -16.549 -5.180 604 HD3 PRO 64 1HD PRO 64 -2.137 -18.074 -4.301 605 HA PRO 65 HA PRO 65 -1.846 -16.174 -10.836 606 HB2 PRO 65 2HB PRO 65 -0.804 -17.473 -12.979 607 HB3 PRO 65 1HB PRO 65 0.228 -16.932 -11.640 608 HG2 PRO 65 2HG PRO 65 -0.873 -19.673 -12.166 609 HG3 PRO 65 1HG PRO 65 0.779 -19.194 -11.716 610 HD2 PRO 65 2HD PRO 65 -1.040 -20.121 -9.887 611 HD3 PRO 65 1HD PRO 65 0.255 -18.979 -9.469 612 H GLY 66 H GLY 66 -4.161 -17.516 -10.060 613 HA2 GLY 66 2HA GLY 66 -5.388 -19.104 -12.078 614 HA3 GLY 66 1HA GLY 66 -6.147 -18.466 -10.632 615 H ALA 67 H ALA 67 -5.209 -15.681 -11.593 616 HA ALA 67 HA ALA 67 -7.527 -14.888 -13.053 617 HB1 ALA 67 3HB ALA 67 -6.280 -13.317 -11.627 618 HB2 ALA 67 1HB ALA 67 -6.362 -12.713 -13.284 619 HB3 ALA 67 2HB ALA 67 -4.869 -13.438 -12.682 620 H GLN 68 H GLN 68 -7.913 -15.078 -15.190 621 HA GLN 68 HA GLN 68 -6.300 -16.387 -17.058 622 HB2 GLN 68 2HB GLN 68 -8.734 -16.215 -17.299 623 HB3 GLN 68 1HB GLN 68 -8.634 -14.464 -17.454 624 HG2 GLN 68 2HG GLN 68 -7.518 -14.696 -19.621 625 HG3 GLN 68 1HG GLN 68 -7.512 -16.450 -19.454 626 HE21 GLN 68 1HE2 GLN 68 -9.578 -13.629 -19.884 627 HE22 GLN 68 2HE2 GLN 68 -10.927 -14.484 -20.543 628 H GLY 69 H GLY 69 -6.920 -12.925 -16.641 629 HA2 GLY 69 2HA GLY 69 -4.247 -12.301 -17.773 630 HA3 GLY 69 1HA GLY 69 -5.668 -11.319 -18.144 631 H SER 70 H SER 70 -5.975 -9.614 -16.884 632 HA SER 70 HA SER 70 -6.111 -9.617 -14.098 633 HB2 SER 70 2HB SER 70 -4.171 -8.018 -13.592 634 HB3 SER 70 1HB SER 70 -3.676 -9.659 -13.998 635 HG SER 70 HG SER 70 -3.559 -8.692 -16.256 636 H GLN 71 H GLN 71 -7.679 -8.118 -13.770 637 HA GLN 71 HA GLN 71 -8.523 -6.147 -15.589 638 HB2 GLN 71 2HB GLN 71 -9.011 -6.431 -12.605 639 HB3 GLN 71 1HB GLN 71 -9.803 -5.200 -13.578 640 HG2 GLN 71 2HG GLN 71 -10.071 -8.180 -14.103 641 HG3 GLN 71 1HG GLN 71 -11.180 -7.240 -13.110 642 HE21 GLN 71 1HE2 GLN 71 -10.043 -7.779 -16.368 643 HE22 GLN 71 2HE2 GLN 71 -11.362 -6.993 -17.158 644 H SER 72 H SER 72 -7.001 -4.706 -16.276 645 HA SER 72 HA SER 72 -4.721 -3.850 -15.013 646 HB2 SER 72 2HB SER 72 -6.234 -2.264 -17.135 647 HB3 SER 72 1HB SER 72 -4.511 -2.149 -16.767 648 HG SER 72 HG SER 72 -5.066 -4.695 -17.214 649 H THR 73 H THR 73 -7.782 -2.080 -15.139 650 HA THR 73 HA THR 73 -7.179 0.190 -13.688 651 HB THR 73 HB THR 73 -9.321 -0.047 -14.802 652 HG1 THR 73 HG1 THR 73 -10.234 1.223 -13.401 653 HG21 THR 73 3HG2 THR 73 -10.070 -2.148 -12.750 654 HG22 THR 73 1HG2 THR 73 -9.754 -2.449 -14.461 655 HG23 THR 73 2HG2 THR 73 -11.146 -1.477 -13.975 656 H TYR 74 H TYR 74 -8.105 -3.004 -12.381 657 HA TYR 74 HA TYR 74 -7.784 -2.231 -9.610 658 HB2 TYR 74 2HB TYR 74 -9.487 -3.891 -10.315 659 HB3 TYR 74 1HB TYR 74 -8.220 -4.964 -10.893 660 HD1 TYR 74 HD1 TYR 74 -9.027 -3.074 -7.756 661 HD2 TYR 74 HD2 TYR 74 -7.749 -6.766 -9.463 662 HE1 TYR 74 HE1 TYR 74 -8.858 -4.045 -5.528 663 HE2 TYR 74 HE2 TYR 74 -7.580 -7.751 -7.210 664 HH TYR 74 HH TYR 74 -8.926 -6.365 -4.484 665 H THR 75 H THR 75 -5.769 -3.697 -12.067 666 HA THR 75 HA THR 75 -3.864 -4.922 -10.269 667 HB THR 75 HB THR 75 -3.518 -4.462 -13.266 668 HG1 THR 75 HG1 THR 75 -5.443 -5.808 -12.128 669 HG21 THR 75 3HG2 THR 75 -1.471 -5.257 -12.093 670 HG22 THR 75 1HG2 THR 75 -2.120 -6.502 -13.165 671 HG23 THR 75 2HG2 THR 75 -2.385 -6.610 -11.423 672 H ASP 76 H ASP 76 -4.350 -1.837 -11.690 673 HA ASP 76 HA ASP 76 -1.822 -0.629 -11.489 674 HB2 ASP 76 2HB ASP 76 -3.792 0.429 -12.590 675 HB3 ASP 76 1HB ASP 76 -4.590 0.593 -11.030 676 H LEU 77 H LEU 77 -4.383 -1.215 -9.126 677 HA LEU 77 HA LEU 77 -3.276 0.012 -6.849 678 HB2 LEU 77 2HB LEU 77 -5.619 -0.661 -6.968 679 HB3 LEU 77 1HB LEU 77 -5.172 -2.346 -7.147 680 HG LEU 77 HG LEU 77 -4.331 -2.376 -4.803 681 HD11 LEU 77 1HD1 LEU 77 -3.661 -0.040 -4.558 682 HD12 LEU 77 2HD1 LEU 77 -4.784 -0.512 -3.284 683 HD13 LEU 77 3HD1 LEU 77 -5.351 0.469 -4.637 684 HD21 LEU 77 3HD2 LEU 77 -6.528 -2.262 -3.704 685 HD22 LEU 77 1HD2 LEU 77 -6.628 -3.063 -5.272 686 HD23 LEU 77 2HD2 LEU 77 -7.186 -1.396 -5.094 687 H LEU 78 H LEU 78 -2.909 -3.299 -8.130 688 HA LEU 78 HA LEU 78 -1.277 -4.389 -6.112 689 HB2 LEU 78 2HB LEU 78 -2.380 -5.710 -7.930 690 HB3 LEU 78 1HB LEU 78 -1.271 -5.008 -9.095 691 HG LEU 78 HG LEU 78 0.638 -6.132 -7.943 692 HD11 LEU 78 1HD1 LEU 78 -0.235 -6.246 -5.689 693 HD12 LEU 78 2HD1 LEU 78 0.193 -7.859 -6.251 694 HD13 LEU 78 3HD1 LEU 78 -1.502 -7.367 -6.198 695 HD21 LEU 78 3HD2 LEU 78 0.154 -8.424 -8.664 696 HD22 LEU 78 1HD2 LEU 78 -0.418 -7.254 -9.854 697 HD23 LEU 78 2HD2 LEU 78 -1.568 -8.047 -8.772 698 H SER 79 H SER 79 -0.529 -2.525 -9.017 699 HA SER 79 HA SER 79 2.295 -2.656 -8.895 700 HB2 SER 79 2HB SER 79 0.492 -0.580 -10.199 701 HB3 SER 79 1HB SER 79 2.220 -0.768 -10.505 702 HG SER 79 HG SER 79 1.673 -2.977 -11.142 703 H VAL 80 H VAL 80 -0.080 -0.444 -7.452 704 HA VAL 80 HA VAL 80 1.603 1.634 -6.563 705 HB VAL 80 HB VAL 80 -0.983 0.557 -5.323 706 HG11 VAL 80 1HG1 VAL 80 -1.164 2.738 -4.151 707 HG12 VAL 80 2HG1 VAL 80 0.451 3.166 -4.709 708 HG13 VAL 80 3HG1 VAL 80 0.231 1.808 -3.603 709 HG21 VAL 80 3HG2 VAL 80 -2.056 2.487 -6.433 710 HG22 VAL 80 1HG2 VAL 80 -1.281 1.413 -7.595 711 HG23 VAL 80 2HG2 VAL 80 -0.506 2.931 -7.153 712 H ILE 81 H ILE 81 0.481 -1.281 -4.898 713 HA ILE 81 HA ILE 81 1.821 -0.931 -2.446 714 HB ILE 81 HB ILE 81 1.027 -3.599 -3.704 715 HG12 ILE 81 2HG1 ILE 81 -0.942 -2.105 -3.764 716 HG13 ILE 81 1HG1 ILE 81 -1.183 -3.378 -2.581 717 HG21 ILE 81 1HG2 ILE 81 2.424 -3.821 -1.719 718 HG22 ILE 81 2HG2 ILE 81 0.780 -4.356 -1.371 719 HG23 ILE 81 3HG2 ILE 81 1.334 -2.778 -0.800 720 HD11 ILE 81 3HD1 ILE 81 -2.047 -1.268 -1.787 721 HD12 ILE 81 1HD1 ILE 81 -0.475 -0.500 -1.987 722 HD13 ILE 81 2HD1 ILE 81 -0.693 -1.768 -0.777 723 H GLU 82 H GLU 82 2.692 -2.517 -5.445 724 HA GLU 82 HA GLU 82 5.127 -3.712 -4.622 725 HB2 GLU 82 2HB GLU 82 3.680 -4.381 -6.612 726 HB3 GLU 82 1HB GLU 82 4.331 -2.984 -7.459 727 HG2 GLU 82 2HG GLU 82 5.522 -4.944 -8.180 728 HG3 GLU 82 1HG GLU 82 6.621 -3.957 -7.224 729 H GLU 83 H GLU 83 4.358 -0.527 -6.022 730 HA GLU 83 HA GLU 83 7.064 0.266 -6.553 731 HB2 GLU 83 2HB GLU 83 4.519 1.901 -6.175 732 HB3 GLU 83 1HB GLU 83 6.067 2.634 -6.567 733 HG2 GLU 83 2HG GLU 83 4.498 0.702 -8.290 734 HG3 GLU 83 1HG GLU 83 4.697 2.428 -8.556 735 H MET 84 H MET 84 4.813 0.807 -3.854 736 HA MET 84 HA MET 84 6.475 2.441 -2.265 737 HB2 MET 84 2HB MET 84 4.165 0.597 -1.536 738 HB3 MET 84 1HB MET 84 4.956 1.643 -0.364 739 HG2 MET 84 2HG MET 84 4.339 3.595 -1.788 740 HG3 MET 84 1HG MET 84 3.403 2.500 -2.804 741 HE1 MET 84 3HE MET 84 0.661 1.247 -0.240 742 HE2 MET 84 1HE MET 84 2.204 0.455 -0.560 743 HE3 MET 84 2HE MET 84 1.254 1.116 -1.895 744 H GLY 85 H GLY 85 6.161 -1.058 -2.520 745 HA2 GLY 85 2HA GLY 85 7.388 -1.935 -0.192 746 HA3 GLY 85 1HA GLY 85 7.326 -2.828 -1.693 747 H LYS 86 H LYS 86 8.908 -0.921 -3.199 748 HA LYS 86 HA LYS 86 11.568 -1.821 -2.347 749 HB2 LYS 86 2HB LYS 86 12.304 -1.096 -4.590 750 HB3 LYS 86 1HB LYS 86 10.894 -2.144 -4.717 751 HG2 LYS 86 2HG LYS 86 9.471 -0.086 -4.908 752 HG3 LYS 86 1HG LYS 86 10.951 0.871 -4.978 753 HD2 LYS 86 2HD LYS 86 11.609 -0.307 -7.058 754 HD3 LYS 86 1HD LYS 86 10.133 -1.281 -6.974 755 HE2 LYS 86 2HE LYS 86 8.805 0.866 -7.069 756 HE3 LYS 86 1HE LYS 86 10.313 1.730 -7.358 757 HZ1 LYS 86 3HZ LYS 86 10.595 0.511 -9.413 758 HZ2 LYS 86 1HZ LYS 86 9.082 1.256 -9.398 759 HZ3 LYS 86 2HZ LYS 86 9.208 -0.405 -9.112 760 H GLU 87 H GLU 87 9.604 1.074 -2.494 761 HA GLU 87 HA GLU 87 11.836 2.942 -2.256 762 HB2 GLU 87 2HB GLU 87 8.824 3.459 -2.435 763 HB3 GLU 87 1HB GLU 87 10.072 4.707 -2.427 764 HG2 GLU 87 2HG GLU 87 11.034 3.717 -4.503 765 HG3 GLU 87 1HG GLU 87 9.712 2.561 -4.542 766 H ILE 88 H ILE 88 10.195 1.098 -0.026 767 HA ILE 88 HA ILE 88 10.080 2.759 2.250 768 HB ILE 88 HB ILE 88 10.796 -0.204 2.098 769 HG12 ILE 88 2HG1 ILE 88 8.099 1.132 2.577 770 HG13 ILE 88 1HG1 ILE 88 8.597 0.308 1.103 771 HG21 ILE 88 1HG2 ILE 88 10.110 -0.378 4.467 772 HG22 ILE 88 2HG2 ILE 88 9.873 1.368 4.526 773 HG23 ILE 88 3HG2 ILE 88 11.488 0.708 4.276 774 HD11 ILE 88 3HD1 ILE 88 8.088 -0.910 3.799 775 HD12 ILE 88 1HD1 ILE 88 8.852 -1.775 2.463 776 HD13 ILE 88 2HD1 ILE 88 7.215 -1.169 2.293 777 H ARG 89 H ARG 89 12.836 1.058 0.757 778 HA ARG 89 HA ARG 89 14.696 1.434 2.861 779 HB2 ARG 89 2HB ARG 89 15.101 -0.305 1.215 780 HB3 ARG 89 1HB ARG 89 15.201 0.878 -0.084 781 HG2 ARG 89 2HG ARG 89 17.433 0.023 0.554 782 HG3 ARG 89 1HG ARG 89 17.302 1.761 0.827 783 HD2 ARG 89 2HD ARG 89 16.944 1.360 3.232 784 HD3 ARG 89 1HD ARG 89 17.023 -0.382 2.963 785 HE ARG 89 HE ARG 89 19.409 0.738 2.019 786 HH11 ARG 89 1HH1 ARG 89 17.755 0.329 5.112 787 HH12 ARG 89 2HH1 ARG 89 19.219 0.289 6.042 788 HH21 ARG 89 1HH2 ARG 89 21.351 0.632 3.253 789 HH22 ARG 89 2HH2 ARG 89 21.264 0.462 4.978 790 HA PRO 90 HA PRO 90 16.466 5.371 0.609 791 HB2 PRO 90 2HB PRO 90 14.842 6.693 -1.204 792 HB3 PRO 90 1HB PRO 90 16.065 5.493 -1.660 793 HG2 PRO 90 2HG PRO 90 13.109 5.106 -1.311 794 HG3 PRO 90 1HG PRO 90 14.176 4.521 -2.610 795 HD2 PRO 90 2HD PRO 90 13.422 2.894 -0.608 796 HD3 PRO 90 1HD PRO 90 15.053 2.790 -1.305 797 H THR 91 H THR 91 12.913 5.302 1.174 798 HA THR 91 HA THR 91 12.613 7.791 2.476 799 HB THR 91 HB THR 91 11.154 5.156 2.964 800 HG1 THR 91 HG1 THR 91 10.112 5.683 1.206 801 HG21 THR 91 3HG2 THR 91 10.751 6.647 4.894 802 HG22 THR 91 1HG2 THR 91 9.304 6.536 3.885 803 HG23 THR 91 2HG2 THR 91 10.332 7.962 3.795 804 H TYR 92 H TYR 92 13.341 4.588 3.789 805 HA TYR 92 HA TYR 92 13.676 5.168 6.491 806 HB2 TYR 92 2HB TYR 92 13.437 2.859 5.534 807 HB3 TYR 92 1HB TYR 92 15.056 2.974 4.853 808 HD1 TYR 92 HD2 TYR 92 13.207 3.070 8.102 809 HD2 TYR 92 HD1 TYR 92 16.927 2.252 6.176 810 HE1 TYR 92 HE2 TYR 92 14.122 2.279 10.221 811 HE2 TYR 92 HE1 TYR 92 17.848 1.447 8.308 812 HH TYR 92 HH TYR 92 17.369 1.848 10.783 813 H ALA 93 H ALA 93 15.807 5.739 3.786 814 HA ALA 93 HA ALA 93 18.200 6.185 5.392 815 HB1 ALA 93 3HB ALA 93 19.257 6.636 3.225 816 HB2 ALA 93 1HB ALA 93 17.682 6.595 2.425 817 HB3 ALA 93 2HB ALA 93 18.339 5.132 3.164 818 H GLY 94 H GLY 94 15.530 7.951 5.284 819 HA2 GLY 94 2HA GLY 94 15.111 10.111 5.882 820 HA3 GLY 94 1HA GLY 94 16.831 10.438 5.898 821 H SER 95 H SER 95 15.599 9.199 2.894 822 HA SER 95 HA SER 95 15.887 11.772 1.565 823 HB2 SER 95 2HB SER 95 14.940 9.116 0.400 824 HB3 SER 95 1HB SER 95 15.536 10.518 -0.490 825 HG SER 95 HG SER 95 16.924 8.486 0.498 826 H LYS 96 H LYS 96 14.258 13.223 1.769 827 HA LYS 96 HA LYS 96 11.566 12.632 2.402 828 HB2 LYS 96 2HB LYS 96 11.117 15.023 2.162 829 HB3 LYS 96 1HB LYS 96 12.629 14.773 3.026 830 HG2 LYS 96 2HG LYS 96 13.921 15.360 1.021 831 HG3 LYS 96 1HG LYS 96 12.433 15.492 0.078 832 HD2 LYS 96 2HD LYS 96 13.205 17.721 0.664 833 HD3 LYS 96 1HD LYS 96 11.706 17.392 1.536 834 HE2 LYS 96 2HE LYS 96 13.255 18.494 3.023 835 HE3 LYS 96 1HE LYS 96 13.085 16.823 3.557 836 HZ1 LYS 96 3HZ LYS 96 15.166 16.308 2.418 837 HZ2 LYS 96 1HZ LYS 96 15.387 17.503 3.589 838 HZ3 LYS 96 2HZ LYS 96 15.338 17.920 1.955 839 H SER 97 H SER 97 13.150 13.031 -0.726 840 HA SER 97 HA SER 97 10.793 13.381 -2.285 841 HB2 SER 97 2HB SER 97 13.484 12.211 -3.123 842 HB3 SER 97 1HB SER 97 12.220 12.759 -4.224 843 HG SER 97 HG SER 97 12.999 14.686 -4.018 844 H ALA 98 H ALA 98 12.697 10.491 -1.431 845 HA ALA 98 HA ALA 98 11.005 8.533 -2.548 846 HB1 ALA 98 3HB ALA 98 12.884 8.321 -0.177 847 HB2 ALA 98 1HB ALA 98 13.316 8.085 -1.872 848 HB3 ALA 98 2HB ALA 98 12.202 6.966 -1.082 849 H MET 99 H MET 99 11.050 10.090 0.655 850 HA MET 99 HA MET 99 9.023 8.584 1.884 851 HB2 MET 99 2HB MET 99 10.476 10.133 3.155 852 HB3 MET 99 1HB MET 99 9.763 11.514 2.330 853 HG2 MET 99 2HG MET 99 7.581 11.000 3.369 854 HG3 MET 99 1HG MET 99 8.307 9.616 4.182 855 HE1 MET 99 3HE MET 99 9.441 14.002 5.175 856 HE2 MET 99 1HE MET 99 8.247 13.580 3.949 857 HE3 MET 99 2HE MET 99 9.955 13.229 3.677 858 H GLU 100 H GLU 100 8.925 11.411 -0.221 859 HA GLU 100 HA GLU 100 6.126 11.911 -0.012 860 HB2 GLU 100 2HB GLU 100 7.961 13.550 -0.757 861 HB3 GLU 100 1HB GLU 100 7.974 12.709 -2.307 862 HG2 GLU 100 2HG GLU 100 6.636 14.724 -2.473 863 HG3 GLU 100 1HG GLU 100 5.590 13.314 -2.631 864 H ARG 101 H ARG 101 8.116 9.852 -2.093 865 HA ARG 101 HA ARG 101 6.026 9.102 -3.934 866 HB2 ARG 101 2HB ARG 101 8.883 8.334 -3.412 867 HB3 ARG 101 1HB ARG 101 7.907 7.093 -4.179 868 HG2 ARG 101 2HG ARG 101 8.252 9.910 -5.251 869 HG3 ARG 101 1HG ARG 101 9.174 8.501 -5.780 870 HD2 ARG 101 2HD ARG 101 6.185 8.950 -6.087 871 HD3 ARG 101 1HD ARG 101 7.404 8.858 -7.366 872 HE ARG 101 HE ARG 101 7.634 6.468 -6.086 873 HH11 ARG 101 1HH1 ARG 101 4.911 8.084 -7.623 874 HH12 ARG 101 2HH1 ARG 101 4.121 6.598 -8.034 875 HH21 ARG 101 1HH2 ARG 101 6.581 4.538 -6.623 876 HH22 ARG 101 2HH2 ARG 101 5.066 4.599 -7.472 877 H LEU 102 H LEU 102 7.212 7.897 -0.866 878 HA LEU 102 HA LEU 102 5.783 5.398 -0.891 879 HB2 LEU 102 2HB LEU 102 7.868 5.870 0.457 880 HB3 LEU 102 1HB LEU 102 6.936 6.963 1.463 881 HG LEU 102 HG LEU 102 5.572 5.054 2.292 882 HD11 LEU 102 1HD1 LEU 102 5.637 3.583 0.345 883 HD12 LEU 102 2HD1 LEU 102 6.211 2.737 1.780 884 HD13 LEU 102 3HD1 LEU 102 7.368 3.315 0.579 885 HD21 LEU 102 3HD2 LEU 102 8.551 4.557 2.535 886 HD22 LEU 102 1HD2 LEU 102 7.297 3.980 3.634 887 HD23 LEU 102 2HD2 LEU 102 7.615 5.705 3.498 888 H LYS 103 H LYS 103 5.251 8.640 0.488 889 HA LYS 103 HA LYS 103 2.639 8.367 1.473 890 HB2 LYS 103 2HB LYS 103 4.057 10.759 0.226 891 HB3 LYS 103 1HB LYS 103 2.493 10.876 1.024 892 HG2 LYS 103 2HG LYS 103 3.472 10.288 3.169 893 HG3 LYS 103 1HG LYS 103 5.025 9.926 2.408 894 HD2 LYS 103 2HD LYS 103 5.110 12.136 3.492 895 HD3 LYS 103 1HD LYS 103 5.266 12.303 1.742 896 HE2 LYS 103 2HE LYS 103 2.744 12.786 1.720 897 HE3 LYS 103 1HE LYS 103 2.863 12.927 3.472 898 HZ1 LYS 103 3HZ LYS 103 4.419 14.729 3.212 899 HZ2 LYS 103 1HZ LYS 103 3.016 15.076 2.338 900 HZ3 LYS 103 2HZ LYS 103 4.410 14.567 1.528 901 H ARG 104 H ARG 104 3.858 9.149 -1.758 902 HA ARG 104 HA ARG 104 1.490 9.757 -3.089 903 HB2 ARG 104 2HB ARG 104 3.811 10.073 -4.003 904 HB3 ARG 104 1HB ARG 104 3.912 8.334 -4.259 905 HG2 ARG 104 2HG ARG 104 3.415 9.463 -6.354 906 HG3 ARG 104 1HG ARG 104 2.034 8.474 -5.871 907 HD2 ARG 104 2HD ARG 104 0.921 10.506 -4.976 908 HD3 ARG 104 1HD ARG 104 2.309 11.473 -5.499 909 HE ARG 104 HE ARG 104 0.858 9.900 -7.507 910 HH11 ARG 104 1HH1 ARG 104 1.556 13.102 -6.193 911 HH12 ARG 104 2HH1 ARG 104 0.912 13.927 -7.576 912 HH21 ARG 104 1HH2 ARG 104 -0.019 11.009 -9.270 913 HH22 ARG 104 2HH2 ARG 104 0.027 12.741 -9.305 914 H GLY 105 H GLY 105 2.962 6.667 -2.349 915 HA2 GLY 105 2HA GLY 105 1.276 4.941 -3.782 916 HA3 GLY 105 1HA GLY 105 2.174 4.553 -2.331 917 H ILE 106 H ILE 106 0.955 6.216 -0.431 918 HA ILE 106 HA ILE 106 -1.445 4.760 0.062 919 HB ILE 106 HB ILE 106 -0.073 7.011 1.542 920 HG12 ILE 106 2HG1 ILE 106 -0.044 5.336 3.394 921 HG13 ILE 106 1HG1 ILE 106 -0.893 4.196 2.370 922 HG21 ILE 106 1HG2 ILE 106 -1.820 6.987 3.306 923 HG22 ILE 106 2HG2 ILE 106 -2.826 5.954 2.286 924 HG23 ILE 106 3HG2 ILE 106 -2.453 7.599 1.774 925 HD11 ILE 106 3HD1 ILE 106 1.046 4.076 0.916 926 HD12 ILE 106 1HD1 ILE 106 1.453 3.685 2.586 927 HD13 ILE 106 2HD1 ILE 106 1.878 5.264 1.922 928 H ILE 107 H ILE 107 -0.836 8.041 -1.181 929 HA ILE 107 HA ILE 107 -3.496 9.025 -1.246 930 HB ILE 107 HB ILE 107 -1.209 9.616 -3.192 931 HG12 ILE 107 2HG1 ILE 107 -2.079 11.131 -0.690 932 HG13 ILE 107 1HG1 ILE 107 -0.657 10.102 -0.809 933 HG21 ILE 107 1HG2 ILE 107 -2.420 11.725 -3.698 934 HG22 ILE 107 2HG2 ILE 107 -3.762 11.196 -2.686 935 HG23 ILE 107 3HG2 ILE 107 -3.363 10.306 -4.156 936 HD11 ILE 107 3HD1 ILE 107 -1.127 12.675 -2.301 937 HD12 ILE 107 1HD1 ILE 107 0.280 11.622 -2.497 938 HD13 ILE 107 2HD1 ILE 107 -0.031 12.403 -0.950 939 H HIS 108 H HIS 108 -1.583 7.249 -3.575 940 HA HIS 108 HA HIS 108 -3.412 7.102 -5.727 941 HB2 HIS 108 2HB HIS 108 -0.825 6.708 -5.675 942 HB3 HIS 108 1HB HIS 108 -1.210 5.060 -5.205 943 HD1 HIS 108 HD1 HIS 108 0.339 5.234 -7.645 944 HD2 HIS 108 HD2 HIS 108 -3.794 5.644 -7.764 945 HE1 HIS 108 HE1 HIS 108 -0.322 4.688 -10.008 946 HE2 HIS 108 HE2 HIS 108 -2.836 4.761 -9.984 947 H ALA 109 H ALA 109 -2.582 4.767 -3.159 948 HA ALA 109 HA ALA 109 -4.285 2.664 -4.090 949 HB1 ALA 109 3HB ALA 109 -2.947 3.043 -1.385 950 HB2 ALA 109 1HB ALA 109 -2.252 2.220 -2.782 951 HB3 ALA 109 2HB ALA 109 -3.670 1.547 -1.985 952 H ARG 110 H ARG 110 -4.623 5.172 -1.583 953 HA ARG 110 HA ARG 110 -6.923 4.204 -0.270 954 HB2 ARG 110 2HB ARG 110 -5.409 6.744 -0.324 955 HB3 ARG 110 1HB ARG 110 -7.112 7.035 -0.092 956 HG2 ARG 110 2HG ARG 110 -5.346 5.303 1.654 957 HG3 ARG 110 1HG ARG 110 -5.952 6.912 2.045 958 HD2 ARG 110 2HD ARG 110 -8.285 6.016 1.940 959 HD3 ARG 110 1HD ARG 110 -7.622 4.405 1.657 960 HE ARG 110 HE ARG 110 -6.442 5.215 3.993 961 HH11 ARG 110 1HH1 ARG 110 -9.783 4.810 2.915 962 HH12 ARG 110 2HH1 ARG 110 -10.378 4.454 4.505 963 HH21 ARG 110 1HH2 ARG 110 -7.292 4.843 6.098 964 HH22 ARG 110 2HH2 ARG 110 -8.974 4.473 6.296 965 H ALA 111 H ALA 111 -6.553 6.295 -3.084 966 HA ALA 111 HA ALA 111 -9.320 6.805 -3.514 967 HB1 ALA 111 3HB ALA 111 -7.558 8.291 -4.375 968 HB2 ALA 111 1HB ALA 111 -8.597 7.714 -5.683 969 HB3 ALA 111 2HB ALA 111 -6.995 7.009 -5.448 970 H LEU 112 H LEU 112 -7.029 4.416 -4.800 971 HA LEU 112 HA LEU 112 -8.686 3.373 -6.857 972 HB2 LEU 112 2HB LEU 112 -6.309 2.145 -5.420 973 HB3 LEU 112 1HB LEU 112 -7.101 1.371 -6.787 974 HG LEU 112 HG LEU 112 -5.756 4.100 -6.897 975 HD11 LEU 112 1HD1 LEU 112 -4.762 1.436 -7.916 976 HD12 LEU 112 2HD1 LEU 112 -4.129 2.322 -6.524 977 HD13 LEU 112 3HD1 LEU 112 -3.979 3.003 -8.141 978 HD21 LEU 112 3HD2 LEU 112 -6.861 2.383 -9.145 979 HD22 LEU 112 1HD2 LEU 112 -5.966 3.893 -9.335 980 HD23 LEU 112 2HD2 LEU 112 -7.547 3.901 -8.560 981 H VAL 113 H VAL 113 -7.950 2.050 -3.602 982 HA VAL 113 HA VAL 113 -9.626 -0.210 -3.732 983 HB VAL 113 HB VAL 113 -8.877 1.294 -1.168 984 HG11 VAL 113 1HG1 VAL 113 -9.702 -1.607 -1.576 985 HG12 VAL 113 2HG1 VAL 113 -10.674 -0.343 -0.819 986 HG13 VAL 113 3HG1 VAL 113 -9.189 -0.894 -0.045 987 HG21 VAL 113 3HG2 VAL 113 -6.960 -0.226 -0.933 988 HG22 VAL 113 1HG2 VAL 113 -6.834 0.708 -2.426 989 HG23 VAL 113 2HG2 VAL 113 -7.347 -0.976 -2.484 990 H ARG 114 H ARG 114 -10.217 3.094 -2.558 991 HA ARG 114 HA ARG 114 -12.762 2.680 -1.420 992 HB2 ARG 114 2HB ARG 114 -11.382 4.659 -0.897 993 HB3 ARG 114 1HB ARG 114 -11.574 5.246 -2.545 994 HG2 ARG 114 2HG ARG 114 -13.042 6.456 -0.987 995 HG3 ARG 114 1HG ARG 114 -13.980 5.567 -2.187 996 HD2 ARG 114 2HD ARG 114 -14.199 3.711 -0.402 997 HD3 ARG 114 1HD ARG 114 -13.576 4.897 0.744 998 HE ARG 114 HE ARG 114 -15.562 6.081 0.609 999 HH11 ARG 114 1HH1 ARG 114 -15.658 3.384 -1.666 1000 HH12 ARG 114 2HH1 ARG 114 -17.366 3.524 -1.918 1001 HH21 ARG 114 1HH2 ARG 114 -17.796 6.202 0.272 1002 HH22 ARG 114 2HH2 ARG 114 -18.576 5.108 -0.824 1003 H GLU 115 H GLU 115 -11.892 3.908 -4.680 1004 HA GLU 115 HA GLU 115 -14.598 4.241 -5.518 1005 HB2 GLU 115 2HB GLU 115 -12.087 3.992 -7.210 1006 HB3 GLU 115 1HB GLU 115 -13.658 4.505 -7.812 1007 HG2 GLU 115 2HG GLU 115 -11.839 5.964 -5.892 1008 HG3 GLU 115 1HG GLU 115 -12.329 6.461 -7.510 1009 H CYS 116 H CYS 116 -12.341 1.551 -5.595 1010 HA CYS 116 HA CYS 116 -13.902 -0.095 -7.348 1011 HB2 CYS 116 2HB CYS 116 -11.685 -0.830 -5.412 1012 HB3 CYS 116 1HB CYS 116 -12.397 -1.931 -6.591 1013 HG CYS 116 HG CYS 116 -11.003 0.987 -7.625 1014 H LEU 117 H LEU 117 -13.863 0.491 -3.821 1015 HA LEU 117 HA LEU 117 -15.284 -1.685 -2.819 1016 HB2 LEU 117 2HB LEU 117 -15.665 1.220 -1.968 1017 HB3 LEU 117 1HB LEU 117 -16.272 -0.162 -1.073 1018 HG LEU 117 HG LEU 117 -13.353 0.596 -1.462 1019 HD11 LEU 117 1HD1 LEU 117 -15.112 0.610 1.005 1020 HD12 LEU 117 2HD1 LEU 117 -14.547 2.026 0.111 1021 HD13 LEU 117 3HD1 LEU 117 -13.390 1.000 0.952 1022 HD21 LEU 117 3HD2 LEU 117 -12.763 -1.223 0.055 1023 HD22 LEU 117 1HD2 LEU 117 -13.555 -1.860 -1.383 1024 HD23 LEU 117 2HD2 LEU 117 -14.449 -1.745 0.131 1025 H ALA 118 H ALA 118 -16.453 1.022 -4.677 1026 HA ALA 118 HA ALA 118 -19.208 0.884 -4.334 1027 HB1 ALA 118 3HB ALA 118 -19.364 2.122 -6.445 1028 HB2 ALA 118 1HB ALA 118 -17.693 1.688 -6.838 1029 HB3 ALA 118 2HB ALA 118 -18.034 2.738 -5.462 1030 H GLU 119 H GLU 119 -17.288 -0.642 -7.008 1031 HA GLU 119 HA GLU 119 -19.597 -2.162 -7.886 1032 HB2 GLU 119 2HB GLU 119 -18.199 -2.845 -9.732 1033 HB3 GLU 119 1HB GLU 119 -17.951 -1.134 -9.452 1034 HG2 GLU 119 2HG GLU 119 -15.757 -1.650 -9.693 1035 HG3 GLU 119 1HG GLU 119 -15.867 -2.139 -8.007 1036 H THR 120 H THR 120 -16.807 -2.718 -5.873 1037 HA THR 120 HA THR 120 -16.685 -5.556 -6.080 1038 HB THR 120 HB THR 120 -15.503 -3.703 -3.958 1039 HG1 THR 120 HG1 THR 120 -14.896 -3.747 -6.403 1040 HG21 THR 120 3HG2 THR 120 -13.913 -5.553 -3.471 1041 HG22 THR 120 1HG2 THR 120 -14.798 -6.608 -4.576 1042 HG23 THR 120 2HG2 THR 120 -15.568 -6.027 -3.098 1043 H GLU 121 H GLU 121 -18.350 -3.317 -3.902 1044 HA GLU 121 HA GLU 121 -19.232 -5.079 -1.918 1045 HB2 GLU 121 2HB GLU 121 -19.495 -2.563 -1.900 1046 HB3 GLU 121 1HB GLU 121 -20.846 -2.734 -3.013 1047 HG2 GLU 121 2HG GLU 121 -22.002 -4.152 -1.277 1048 HG3 GLU 121 1HG GLU 121 -20.676 -3.784 -0.171 1049 H ARG 122 H ARG 122 -20.293 -4.768 -5.211 1050 HA ARG 122 HA ARG 122 -22.802 -6.159 -4.959 1051 HB2 ARG 122 2HB ARG 122 -21.173 -5.659 -7.479 1052 HB3 ARG 122 1HB ARG 122 -22.893 -6.027 -7.389 1053 HG2 ARG 122 2HG ARG 122 -23.329 -3.837 -6.348 1054 HG3 ARG 122 1HG ARG 122 -21.600 -3.475 -6.347 1055 HD2 ARG 122 2HD ARG 122 -23.389 -3.840 -8.774 1056 HD3 ARG 122 1HD ARG 122 -22.629 -2.340 -8.224 1057 HE ARG 122 HE ARG 122 -20.599 -4.200 -8.654 1058 HH11 ARG 122 1HH1 ARG 122 -22.962 -2.441 -10.637 1059 HH12 ARG 122 2HH1 ARG 122 -21.949 -2.481 -12.044 1060 HH21 ARG 122 1HH2 ARG 122 -19.345 -4.226 -10.528 1061 HH22 ARG 122 2HH2 ARG 122 -19.926 -3.480 -11.979 1062 H ASN 123 H ASN 123 -19.570 -7.001 -6.296 1063 HA ASN 123 HA ASN 123 -20.427 -9.702 -6.964 1064 HB2 ASN 123 2HB ASN 123 -18.118 -9.928 -7.932 1065 HB3 ASN 123 1HB ASN 123 -19.040 -8.587 -8.587 1066 HD21 ASN 123 1HD2 ASN 123 -17.071 -7.605 -9.334 1067 HD22 ASN 123 2HD2 ASN 123 -15.987 -6.822 -8.236 1068 H ALA 124 H ALA 124 -18.634 -8.190 -4.408 1069 HA ALA 124 HA ALA 124 -17.464 -10.669 -3.402 1070 HB1 ALA 124 3HB ALA 124 -16.469 -9.268 -1.649 1071 HB2 ALA 124 1HB ALA 124 -17.408 -7.877 -2.201 1072 HB3 ALA 124 2HB ALA 124 -16.167 -8.575 -3.242 1073 H ARG 125 H ARG 125 -19.331 -11.851 -3.030 1074 HA ARG 125 HA ARG 125 -20.785 -11.342 -0.528 1075 HB2 ARG 125 2HB ARG 125 -22.992 -11.842 -1.716 1076 HB3 ARG 125 1HB ARG 125 -22.278 -10.283 -2.106 1077 HG2 ARG 125 2HG ARG 125 -21.456 -11.149 -4.248 1078 HG3 ARG 125 1HG ARG 125 -22.071 -12.755 -3.857 1079 HD2 ARG 125 2HD ARG 125 -24.377 -11.836 -3.836 1080 HD3 ARG 125 1HD ARG 125 -23.733 -10.254 -4.287 1081 HE ARG 125 HE ARG 125 -22.778 -11.820 -6.251 1082 HH11 ARG 125 1HH1 ARG 125 -26.041 -11.495 -4.963 1083 HH12 ARG 125 2HH1 ARG 125 -26.798 -11.890 -6.471 1084 HH21 ARG 125 1HH2 ARG 125 -23.804 -12.329 -8.216 1085 HH22 ARG 125 2HH2 ARG 125 -25.536 -12.360 -8.306 1086 H THR 126 H THR 126 -20.564 -13.198 0.597 1087 HA THR 126 HA THR 126 -21.114 -15.794 -0.402 1088 HB THR 126 HB THR 126 -18.954 -15.825 -1.412 1089 HG1 THR 126 HG1 THR 126 -18.689 -17.152 1.092 1090 HG21 THR 126 3HG2 THR 126 -17.672 -14.904 1.189 1091 HG22 THR 126 1HG2 THR 126 -17.836 -13.934 -0.281 1092 HG23 THR 126 2HG2 THR 126 -16.813 -15.371 -0.281 Start of MODEL 14 1 H1 SER 58 1H SER 58 -47.026 0.120 -4.620 2 H2 SER 58 2H SER 58 -48.299 0.585 -3.609 3 H3 SER 58 3H SER 58 -47.876 -1.042 -3.733 4 HA SER 58 HA SER 58 -45.752 -0.620 -2.744 5 HB2 SER 58 2HB SER 58 -46.795 2.241 -2.505 6 HB3 SER 58 1HB SER 58 -45.280 1.651 -1.815 7 HG SER 58 HG SER 58 -44.385 1.560 -3.774 8 H HIS 59 H HIS 59 -46.161 -1.840 -1.016 9 HA HIS 59 HA HIS 59 -48.008 -0.911 1.117 10 HB2 HIS 59 2HB HIS 59 -47.648 -3.798 0.154 11 HB3 HIS 59 1HB HIS 59 -48.577 -3.312 1.566 12 HD1 HIS 59 HD1 HIS 59 -50.823 -1.979 1.100 13 HD2 HIS 59 HD2 HIS 59 -49.016 -3.632 -2.259 14 HE1 HIS 59 HE1 HIS 59 -52.579 -1.971 -0.686 15 HE2 HIS 59 HE2 HIS 59 -51.417 -2.832 -2.740 16 H MET 60 H MET 60 -47.414 -2.632 3.115 17 HA MET 60 HA MET 60 -44.900 -1.737 4.072 18 HB2 MET 60 2HB MET 60 -45.347 -3.094 6.054 19 HB3 MET 60 1HB MET 60 -46.847 -2.338 5.542 20 HG2 MET 60 2HG MET 60 -47.424 -4.545 6.172 21 HG3 MET 60 1HG MET 60 -47.415 -4.562 4.408 22 HE1 MET 60 3HE MET 60 -46.090 -8.177 5.055 23 HE2 MET 60 1HE MET 60 -47.206 -7.178 4.124 24 HE3 MET 60 2HE MET 60 -47.407 -7.335 5.869 25 H ALA 61 H ALA 61 -43.077 -3.036 4.731 26 HA ALA 61 HA ALA 61 -42.675 -5.715 3.772 27 HB1 ALA 61 3HB ALA 61 -40.788 -5.221 2.243 28 HB2 ALA 61 1HB ALA 61 -41.059 -3.487 2.447 29 HB3 ALA 61 2HB ALA 61 -42.280 -4.485 1.659 30 H MET 62 H MET 62 -41.478 -6.644 5.306 31 HA MET 62 HA MET 62 -39.936 -5.196 7.257 32 HB2 MET 62 2HB MET 62 -40.136 -8.190 6.665 33 HB3 MET 62 1HB MET 62 -39.261 -7.513 8.034 34 HG2 MET 62 2HG MET 62 -41.335 -6.601 8.947 35 HG3 MET 62 1HG MET 62 -42.236 -7.178 7.549 36 HE1 MET 62 3HE MET 62 -39.352 -9.181 9.441 37 HE2 MET 62 1HE MET 62 -40.318 -9.993 10.669 38 HE3 MET 62 2HE MET 62 -40.143 -8.237 10.709 39 H LYS 63 H LYS 63 -39.257 -6.946 4.303 40 HA LYS 63 HA LYS 63 -37.386 -7.514 3.151 41 HB2 LYS 63 2HB LYS 63 -36.243 -5.487 2.211 42 HB3 LYS 63 1HB LYS 63 -37.995 -5.449 2.125 43 HG2 LYS 63 2HG LYS 63 -38.061 -3.885 4.049 44 HG3 LYS 63 1HG LYS 63 -36.301 -3.948 4.147 45 HD2 LYS 63 2HD LYS 63 -37.012 -1.899 3.017 46 HD3 LYS 63 1HD LYS 63 -36.138 -2.938 1.891 47 HE2 LYS 63 2HE LYS 63 -38.217 -3.614 0.825 48 HE3 LYS 63 1HE LYS 63 -39.169 -2.783 2.058 49 HZ1 LYS 63 3HZ LYS 63 -39.051 -1.487 0.041 50 HZ2 LYS 63 1HZ LYS 63 -37.361 -1.473 0.100 51 HZ3 LYS 63 2HZ LYS 63 -38.257 -0.683 1.295 52 HA PRO 64 HA PRO 64 -34.373 -7.851 6.688 53 HB2 PRO 64 2HB PRO 64 -33.785 -10.517 6.335 54 HB3 PRO 64 1HB PRO 64 -35.234 -9.968 7.197 55 HG2 PRO 64 2HG PRO 64 -34.992 -10.913 4.357 56 HG3 PRO 64 1HG PRO 64 -36.219 -11.321 5.580 57 HD2 PRO 64 2HD PRO 64 -36.672 -9.455 3.651 58 HD3 PRO 64 1HD PRO 64 -37.396 -9.333 5.272 59 HA PRO 65 HA PRO 65 -30.615 -7.103 4.355 60 HB2 PRO 65 2HB PRO 65 -29.193 -8.803 6.405 61 HB3 PRO 65 1HB PRO 65 -28.848 -7.139 5.884 62 HG2 PRO 65 2HG PRO 65 -29.993 -7.559 8.235 63 HG3 PRO 65 1HG PRO 65 -30.557 -6.221 7.203 64 HD2 PRO 65 2HD PRO 65 -31.815 -8.924 7.637 65 HD3 PRO 65 1HD PRO 65 -32.588 -7.327 7.533 66 H GLY 66 H GLY 66 -29.713 -8.021 2.583 67 HA2 GLY 66 2HA GLY 66 -30.340 -10.809 1.952 68 HA3 GLY 66 1HA GLY 66 -29.759 -9.570 0.848 69 H ALA 67 H ALA 67 -28.894 -12.406 1.501 70 HA ALA 67 HA ALA 67 -26.218 -12.232 2.596 71 HB1 ALA 67 3HB ALA 67 -27.604 -14.260 2.920 72 HB2 ALA 67 1HB ALA 67 -26.097 -14.647 2.089 73 HB3 ALA 67 2HB ALA 67 -27.608 -14.549 1.179 74 H GLN 68 H GLN 68 -25.277 -10.698 1.202 75 HA GLN 68 HA GLN 68 -24.086 -11.799 -1.235 76 HB2 GLN 68 2HB GLN 68 -24.612 -9.734 -2.564 77 HB3 GLN 68 1HB GLN 68 -26.028 -10.708 -2.181 78 HG2 GLN 68 2HG GLN 68 -26.703 -9.152 -0.435 79 HG3 GLN 68 1HG GLN 68 -25.217 -8.223 -0.635 80 HE21 GLN 68 1HE2 GLN 68 -28.298 -9.040 -2.074 81 HE22 GLN 68 2HE2 GLN 68 -28.330 -7.725 -3.192 82 H GLY 69 H GLY 69 -24.058 -9.649 1.456 83 HA2 GLY 69 2HA GLY 69 -21.599 -8.263 0.666 84 HA3 GLY 69 1HA GLY 69 -22.571 -7.975 2.100 85 H SER 70 H SER 70 -20.144 -10.066 0.676 86 HA SER 70 HA SER 70 -19.201 -10.823 3.396 87 HB2 SER 70 2HB SER 70 -18.903 -12.431 0.816 88 HB3 SER 70 1HB SER 70 -18.342 -12.919 2.419 89 HG SER 70 HG SER 70 -21.047 -12.394 1.744 90 H GLN 71 H GLN 71 -18.657 -8.473 1.712 91 HA GLN 71 HA GLN 71 -15.901 -8.794 0.743 92 HB2 GLN 71 2HB GLN 71 -17.958 -6.583 0.391 93 HB3 GLN 71 1HB GLN 71 -16.307 -6.477 -0.207 94 HG2 GLN 71 2HG GLN 71 -17.738 -7.082 -2.032 95 HG3 GLN 71 1HG GLN 71 -16.725 -8.462 -1.646 96 HE21 GLN 71 1HE2 GLN 71 -19.952 -7.148 -1.399 97 HE22 GLN 71 2HE2 GLN 71 -20.766 -8.655 -1.257 98 H SER 72 H SER 72 -16.248 -8.964 3.486 99 HA SER 72 HA SER 72 -15.810 -6.411 4.791 100 HB2 SER 72 2HB SER 72 -17.212 -8.258 5.806 101 HB3 SER 72 1HB SER 72 -15.751 -9.229 5.966 102 HG SER 72 HG SER 72 -16.694 -7.326 7.589 103 H THR 73 H THR 73 -14.059 -9.314 3.827 104 HA THR 73 HA THR 73 -11.572 -8.796 5.089 105 HB THR 73 HB THR 73 -12.338 -10.566 2.726 106 HG1 THR 73 HG1 THR 73 -12.936 -12.012 4.184 107 HG21 THR 73 3HG2 THR 73 -9.911 -10.267 2.800 108 HG22 THR 73 1HG2 THR 73 -10.347 -11.909 3.291 109 HG23 THR 73 2HG2 THR 73 -9.890 -10.717 4.512 110 H TYR 74 H TYR 74 -13.068 -7.693 2.126 111 HA TYR 74 HA TYR 74 -10.664 -6.919 0.761 112 HB2 TYR 74 2HB TYR 74 -12.882 -7.399 -0.376 113 HB3 TYR 74 1HB TYR 74 -13.495 -5.895 0.296 114 HD1 TYR 74 HD1 TYR 74 -10.979 -7.336 -2.005 115 HD2 TYR 74 HD2 TYR 74 -12.915 -3.758 -0.750 116 HE1 TYR 74 HE1 TYR 74 -9.980 -6.117 -3.886 117 HE2 TYR 74 HE2 TYR 74 -11.916 -2.548 -2.642 118 HH TYR 74 HH TYR 74 -10.433 -4.079 -5.202 119 H THR 75 H THR 75 -12.934 -5.364 2.991 120 HA THR 75 HA THR 75 -11.972 -2.709 2.830 121 HB THR 75 HB THR 75 -13.226 -3.980 5.297 122 HG1 THR 75 HG1 THR 75 -14.986 -4.241 4.192 123 HG21 THR 75 3HG2 THR 75 -13.405 -1.151 4.171 124 HG22 THR 75 1HG2 THR 75 -12.452 -1.637 5.579 125 HG23 THR 75 2HG2 THR 75 -14.213 -1.732 5.628 126 H ASP 76 H ASP 76 -10.821 -5.573 4.471 127 HA ASP 76 HA ASP 76 -9.043 -4.535 6.364 128 HB2 ASP 76 2HB ASP 76 -9.625 -6.970 6.092 129 HB3 ASP 76 1HB ASP 76 -8.629 -7.027 4.646 130 H LEU 77 H LEU 77 -8.558 -5.248 2.881 131 HA LEU 77 HA LEU 77 -5.905 -4.439 2.556 132 HB2 LEU 77 2HB LEU 77 -7.099 -5.630 0.811 133 HB3 LEU 77 1HB LEU 77 -8.263 -4.328 0.641 134 HG LEU 77 HG LEU 77 -6.508 -2.860 -0.328 135 HD11 LEU 77 1HD1 LEU 77 -4.299 -3.723 -0.939 136 HD12 LEU 77 2HD1 LEU 77 -4.640 -5.234 -0.092 137 HD13 LEU 77 3HD1 LEU 77 -4.533 -3.717 0.807 138 HD21 LEU 77 3HD2 LEU 77 -6.264 -3.995 -2.487 139 HD22 LEU 77 1HD2 LEU 77 -7.888 -4.199 -1.836 140 HD23 LEU 77 2HD2 LEU 77 -6.730 -5.530 -1.750 141 H LEU 78 H LEU 78 -8.885 -2.528 2.255 142 HA LEU 78 HA LEU 78 -7.889 -0.017 1.589 143 HB2 LEU 78 2HB LEU 78 -10.288 -0.746 1.606 144 HB3 LEU 78 1HB LEU 78 -10.269 -0.702 3.356 145 HG LEU 78 HG LEU 78 -9.863 1.797 3.225 146 HD11 LEU 78 1HD1 LEU 78 -8.885 1.950 1.005 147 HD12 LEU 78 2HD1 LEU 78 -10.318 2.969 1.114 148 HD13 LEU 78 3HD1 LEU 78 -10.401 1.422 0.267 149 HD21 LEU 78 3HD2 LEU 78 -12.412 0.787 1.917 150 HD22 LEU 78 1HD2 LEU 78 -12.190 2.367 2.677 151 HD23 LEU 78 2HD2 LEU 78 -12.103 0.902 3.652 152 H SER 79 H SER 79 -8.304 -1.531 4.771 153 HA SER 79 HA SER 79 -7.463 0.612 6.408 154 HB2 SER 79 2HB SER 79 -7.352 -2.372 6.994 155 HB3 SER 79 1HB SER 79 -7.290 -1.075 8.186 156 HG SER 79 HG SER 79 -9.454 -2.047 6.710 157 H VAL 80 H VAL 80 -5.683 -2.244 5.121 158 HA VAL 80 HA VAL 80 -3.234 -1.984 6.421 159 HB VAL 80 HB VAL 80 -3.630 -3.002 3.554 160 HG11 VAL 80 1HG1 VAL 80 -1.321 -3.506 5.476 161 HG12 VAL 80 2HG1 VAL 80 -1.249 -2.560 3.988 162 HG13 VAL 80 3HG1 VAL 80 -1.531 -4.301 3.911 163 HG21 VAL 80 3HG2 VAL 80 -5.025 -4.236 5.188 164 HG22 VAL 80 1HG2 VAL 80 -3.586 -4.612 6.129 165 HG23 VAL 80 2HG2 VAL 80 -3.770 -5.264 4.499 166 H ILE 81 H ILE 81 -4.319 -0.543 3.383 167 HA ILE 81 HA ILE 81 -2.047 0.690 2.467 168 HB ILE 81 HB ILE 81 -4.879 1.799 2.270 169 HG12 ILE 81 2HG1 ILE 81 -4.811 -0.499 1.398 170 HG13 ILE 81 1HG1 ILE 81 -4.978 0.618 0.057 171 HG21 ILE 81 1HG2 ILE 81 -4.050 2.924 0.214 172 HG22 ILE 81 2HG2 ILE 81 -2.417 2.370 0.586 173 HG23 ILE 81 3HG2 ILE 81 -3.243 3.488 1.673 174 HD11 ILE 81 3HD1 ILE 81 -2.576 0.341 -0.426 175 HD12 ILE 81 1HD1 ILE 81 -3.477 -1.173 -0.496 176 HD13 ILE 81 2HD1 ILE 81 -2.467 -0.818 0.904 177 H GLU 82 H GLU 82 -4.573 2.347 4.441 178 HA GLU 82 HA GLU 82 -3.051 4.737 4.717 179 HB2 GLU 82 2HB GLU 82 -5.482 3.810 6.284 180 HB3 GLU 82 1HB GLU 82 -4.791 5.431 6.366 181 HG2 GLU 82 2HG GLU 82 -5.183 5.613 3.863 182 HG3 GLU 82 1HG GLU 82 -6.092 4.106 3.973 183 H GLU 83 H GLU 83 -3.249 1.825 6.627 184 HA GLU 83 HA GLU 83 -2.040 2.807 9.011 185 HB2 GLU 83 2HB GLU 83 -2.298 0.014 7.849 186 HB3 GLU 83 1HB GLU 83 -1.528 0.329 9.405 187 HG2 GLU 83 2HG GLU 83 -3.621 1.331 10.243 188 HG3 GLU 83 1HG GLU 83 -4.393 1.012 8.688 189 H MET 84 H MET 84 -0.706 1.214 6.088 190 HA MET 84 HA MET 84 2.020 1.416 6.734 191 HB2 MET 84 2HB MET 84 0.646 1.506 4.012 192 HB3 MET 84 1HB MET 84 2.385 1.365 4.230 193 HG2 MET 84 2HG MET 84 2.032 -0.773 5.437 194 HG3 MET 84 1HG MET 84 0.305 -0.650 5.106 195 HE1 MET 84 3HE MET 84 0.385 -0.878 1.107 196 HE2 MET 84 1HE MET 84 0.482 0.613 2.045 197 HE3 MET 84 2HE MET 84 -0.668 -0.646 2.502 198 H GLY 85 H GLY 85 -0.278 3.696 5.372 199 HA2 GLY 85 2HA GLY 85 1.332 5.867 4.710 200 HA3 GLY 85 1HA GLY 85 -0.343 5.956 5.210 201 H LYS 86 H LYS 86 0.205 4.780 7.841 202 HA LYS 86 HA LYS 86 0.898 7.207 9.270 203 HB2 LYS 86 2HB LYS 86 0.230 4.429 10.361 204 HB3 LYS 86 1HB LYS 86 0.311 5.919 11.300 205 HG2 LYS 86 2HG LYS 86 -1.628 6.826 10.129 206 HG3 LYS 86 1HG LYS 86 -1.667 5.427 9.052 207 HD2 LYS 86 2HD LYS 86 -2.043 3.994 11.148 208 HD3 LYS 86 1HD LYS 86 -2.281 5.503 12.029 209 HE2 LYS 86 2HE LYS 86 -3.939 4.581 9.654 210 HE3 LYS 86 1HE LYS 86 -4.420 4.454 11.345 211 HZ1 LYS 86 3HZ LYS 86 -5.413 6.371 10.287 212 HZ2 LYS 86 1HZ LYS 86 -3.892 6.987 9.884 213 HZ3 LYS 86 2HZ LYS 86 -4.354 6.868 11.507 214 H GLU 87 H GLU 87 2.317 4.047 8.549 215 HA GLU 87 HA GLU 87 4.488 4.281 10.435 216 HB2 GLU 87 2HB GLU 87 4.212 2.246 8.188 217 HB3 GLU 87 1HB GLU 87 5.277 2.149 9.593 218 HG2 GLU 87 2HG GLU 87 2.278 1.840 9.489 219 HG3 GLU 87 1HG GLU 87 3.478 0.675 10.043 220 H ILE 88 H ILE 88 3.990 5.572 7.363 221 HA ILE 88 HA ILE 88 6.516 5.529 6.147 222 HB ILE 88 HB ILE 88 4.421 7.752 6.138 223 HG12 ILE 88 2HG1 ILE 88 4.924 5.499 4.152 224 HG13 ILE 88 1HG1 ILE 88 3.580 5.602 5.281 225 HG21 ILE 88 1HG2 ILE 88 5.477 8.596 4.062 226 HG22 ILE 88 2HG2 ILE 88 6.767 7.404 4.232 227 HG23 ILE 88 3HG2 ILE 88 6.586 8.686 5.431 228 HD11 ILE 88 3HD1 ILE 88 2.834 6.197 3.101 229 HD12 ILE 88 1HD1 ILE 88 4.099 7.411 2.934 230 HD13 ILE 88 2HD1 ILE 88 2.804 7.633 4.115 231 H ARG 89 H ARG 89 5.270 7.483 8.805 232 HA ARG 89 HA ARG 89 7.213 9.572 8.629 233 HB2 ARG 89 2HB ARG 89 5.394 9.038 11.002 234 HB3 ARG 89 1HB ARG 89 6.073 10.579 10.496 235 HG2 ARG 89 2HG ARG 89 3.944 8.986 9.038 236 HG3 ARG 89 1HG ARG 89 3.691 10.449 9.985 237 HD2 ARG 89 2HD ARG 89 5.012 11.754 8.387 238 HD3 ARG 89 1HD ARG 89 5.373 10.294 7.456 239 HE ARG 89 HE ARG 89 2.806 10.171 7.265 240 HH11 ARG 89 1HH1 ARG 89 4.645 13.165 7.149 241 HH12 ARG 89 2HH1 ARG 89 3.464 13.984 6.182 242 HH21 ARG 89 1HH2 ARG 89 1.272 11.248 6.060 243 HH22 ARG 89 2HH2 ARG 89 1.546 12.887 5.561 244 HA PRO 90 HA PRO 90 9.276 7.478 12.519 245 HB2 PRO 90 2HB PRO 90 8.341 4.699 12.740 246 HB3 PRO 90 1HB PRO 90 8.335 5.974 13.969 247 HG2 PRO 90 2HG PRO 90 6.066 4.964 12.773 248 HG3 PRO 90 1HG PRO 90 6.184 6.577 13.525 249 HD2 PRO 90 2HD PRO 90 6.218 5.832 10.635 250 HD3 PRO 90 1HD PRO 90 5.581 7.281 11.422 251 H THR 91 H THR 91 8.445 5.218 9.835 252 HA THR 91 HA THR 91 10.879 3.897 9.499 253 HB THR 91 HB THR 91 8.893 4.830 7.377 254 HG1 THR 91 HG1 THR 91 7.856 3.074 7.916 255 HG21 THR 91 3HG2 THR 91 9.887 3.126 5.865 256 HG22 THR 91 1HG2 THR 91 11.170 2.837 7.045 257 HG23 THR 91 2HG2 THR 91 11.043 4.404 6.243 258 H TYR 92 H TYR 92 9.803 6.959 8.035 259 HA TYR 92 HA TYR 92 12.124 7.694 6.705 260 HB2 TYR 92 2HB TYR 92 9.873 8.764 6.387 261 HB3 TYR 92 1HB TYR 92 10.074 9.582 7.932 262 HD1 TYR 92 HD2 TYR 92 11.845 9.156 4.653 263 HD2 TYR 92 HD1 TYR 92 10.974 11.793 7.891 264 HE1 TYR 92 HE2 TYR 92 13.019 10.960 3.501 265 HE2 TYR 92 HE1 TYR 92 12.160 13.601 6.729 266 HH TYR 92 HH TYR 92 13.965 13.793 5.017 267 H ALA 93 H ALA 93 11.238 8.052 10.078 268 HA ALA 93 HA ALA 93 13.332 9.947 10.768 269 HB1 ALA 93 3HB ALA 93 11.429 8.358 12.539 270 HB2 ALA 93 1HB ALA 93 11.142 9.982 11.902 271 HB3 ALA 93 2HB ALA 93 12.448 9.706 13.055 272 H GLY 94 H GLY 94 13.694 6.838 9.890 273 HA2 GLY 94 2HA GLY 94 15.503 5.453 10.107 274 HA3 GLY 94 1HA GLY 94 16.142 6.479 11.377 275 H SER 95 H SER 95 12.957 5.632 12.133 276 HA SER 95 HA SER 95 13.778 3.672 14.109 277 HB2 SER 95 2HB SER 95 10.981 4.644 13.386 278 HB3 SER 95 1HB SER 95 11.423 3.714 14.820 279 HG SER 95 HG SER 95 12.924 5.973 14.513 280 H LYS 96 H LYS 96 14.304 1.746 13.353 281 HA LYS 96 HA LYS 96 13.512 0.470 11.022 282 HB2 LYS 96 2HB LYS 96 14.504 -1.568 11.929 283 HB3 LYS 96 1HB LYS 96 15.514 -0.178 12.321 284 HG2 LYS 96 2HG LYS 96 14.748 -0.174 14.620 285 HG3 LYS 96 1HG LYS 96 13.521 -1.394 14.265 286 HD2 LYS 96 2HD LYS 96 15.503 -2.932 13.617 287 HD3 LYS 96 1HD LYS 96 16.531 -1.742 14.424 288 HE2 LYS 96 2HE LYS 96 15.876 -3.648 15.908 289 HE3 LYS 96 1HE LYS 96 15.338 -2.082 16.523 290 HZ1 LYS 96 3HZ LYS 96 13.134 -2.515 15.812 291 HZ2 LYS 96 1HZ LYS 96 13.655 -3.912 16.612 292 HZ3 LYS 96 2HZ LYS 96 13.597 -3.876 14.922 293 H SER 97 H SER 97 11.918 0.561 14.121 294 HA SER 97 HA SER 97 10.466 -1.813 14.139 295 HB2 SER 97 2HB SER 97 10.761 -0.332 16.115 296 HB3 SER 97 1HB SER 97 9.685 0.860 15.387 297 HG SER 97 HG SER 97 8.925 -1.819 15.917 298 H ALA 98 H ALA 98 9.580 1.382 12.814 299 HA ALA 98 HA ALA 98 7.003 0.556 11.850 300 HB1 ALA 98 3HB ALA 98 7.461 2.914 12.377 301 HB2 ALA 98 1HB ALA 98 6.955 2.718 10.695 302 HB3 ALA 98 2HB ALA 98 8.658 2.978 11.083 303 H MET 99 H MET 99 10.283 0.751 10.503 304 HA MET 99 HA MET 99 9.654 0.589 7.757 305 HB2 MET 99 2HB MET 99 11.786 1.440 8.493 306 HB3 MET 99 1HB MET 99 12.174 -0.051 9.329 307 HG2 MET 99 2HG MET 99 11.858 0.014 6.329 308 HG3 MET 99 1HG MET 99 13.378 0.451 7.103 309 HE1 MET 99 3HE MET 99 14.315 -2.928 8.921 310 HE2 MET 99 1HE MET 99 13.325 -1.648 9.622 311 HE3 MET 99 2HE MET 99 14.759 -1.237 8.679 312 H GLU 100 H GLU 100 10.575 -1.978 10.049 313 HA GLU 100 HA GLU 100 10.517 -4.135 8.187 314 HB2 GLU 100 2HB GLU 100 10.619 -5.581 10.231 315 HB3 GLU 100 1HB GLU 100 11.834 -4.310 10.229 316 HG2 GLU 100 2HG GLU 100 10.266 -2.962 11.722 317 HG3 GLU 100 1HG GLU 100 9.286 -4.418 11.874 318 H ARG 101 H ARG 101 8.147 -2.615 10.198 319 HA ARG 101 HA ARG 101 6.007 -4.535 9.699 320 HB2 ARG 101 2HB ARG 101 6.060 -1.846 11.100 321 HB3 ARG 101 1HB ARG 101 4.594 -2.812 10.930 322 HG2 ARG 101 2HG ARG 101 5.624 -4.647 12.209 323 HG3 ARG 101 1HG ARG 101 7.126 -3.729 12.349 324 HD2 ARG 101 2HD ARG 101 5.726 -3.630 14.412 325 HD3 ARG 101 1HD ARG 101 6.040 -2.044 13.706 326 HE ARG 101 HE ARG 101 3.476 -3.521 13.467 327 HH11 ARG 101 1HH1 ARG 101 5.231 -0.474 13.588 328 HH12 ARG 101 2HH1 ARG 101 3.792 0.487 13.546 329 HH21 ARG 101 1HH2 ARG 101 1.615 -2.221 13.416 330 HH22 ARG 101 2HH2 ARG 101 1.757 -0.497 13.446 331 H LEU 102 H LEU 102 7.241 -1.671 8.202 332 HA LEU 102 HA LEU 102 4.906 -0.979 6.661 333 HB2 LEU 102 2HB LEU 102 6.715 0.650 7.279 334 HB3 LEU 102 1HB LEU 102 7.837 -0.227 6.257 335 HG LEU 102 HG LEU 102 6.540 0.424 4.244 336 HD11 LEU 102 1HD1 LEU 102 4.713 2.045 4.383 337 HD12 LEU 102 2HD1 LEU 102 4.755 1.957 6.146 338 HD13 LEU 102 3HD1 LEU 102 4.306 0.536 5.196 339 HD21 LEU 102 3HD2 LEU 102 7.244 2.798 5.995 340 HD22 LEU 102 1HD2 LEU 102 7.071 2.817 4.236 341 HD23 LEU 102 2HD2 LEU 102 8.365 1.884 4.983 342 H LYS 103 H LYS 103 7.948 -2.751 6.124 343 HA LYS 103 HA LYS 103 7.541 -3.655 3.495 344 HB2 LYS 103 2HB LYS 103 9.049 -4.939 5.802 345 HB3 LYS 103 1HB LYS 103 9.138 -5.498 4.133 346 HG2 LYS 103 2HG LYS 103 10.139 -3.391 3.431 347 HG3 LYS 103 1HG LYS 103 9.949 -2.726 5.056 348 HD2 LYS 103 2HD LYS 103 12.278 -3.478 4.601 349 HD3 LYS 103 1HD LYS 103 11.540 -4.331 5.957 350 HE2 LYS 103 2HE LYS 103 11.146 -6.296 4.558 351 HE3 LYS 103 1HE LYS 103 11.734 -5.438 3.132 352 HZ1 LYS 103 3HZ LYS 103 13.340 -6.129 5.528 353 HZ2 LYS 103 1HZ LYS 103 13.906 -5.280 4.179 354 HZ3 LYS 103 2HZ LYS 103 13.419 -6.892 4.019 355 H ARG 104 H ARG 104 6.689 -5.121 6.625 356 HA ARG 104 HA ARG 104 5.468 -7.471 5.684 357 HB2 ARG 104 2HB ARG 104 6.139 -7.134 8.046 358 HB3 ARG 104 1HB ARG 104 4.923 -5.875 8.220 359 HG2 ARG 104 2HG ARG 104 3.139 -7.586 7.840 360 HG3 ARG 104 1HG ARG 104 4.387 -8.830 7.739 361 HD2 ARG 104 2HD ARG 104 5.092 -8.262 10.064 362 HD3 ARG 104 1HD ARG 104 3.773 -7.092 10.148 363 HE ARG 104 HE ARG 104 2.350 -9.211 9.606 364 HH11 ARG 104 1HH1 ARG 104 5.139 -9.095 11.758 365 HH12 ARG 104 2HH1 ARG 104 4.563 -10.382 12.767 366 HH21 ARG 104 1HH2 ARG 104 1.582 -10.862 10.988 367 HH22 ARG 104 2HH2 ARG 104 2.549 -11.372 12.333 368 H GLY 105 H GLY 105 4.275 -4.182 6.219 369 HA2 GLY 105 2HA GLY 105 1.534 -4.526 5.778 370 HA3 GLY 105 1HA GLY 105 2.444 -3.046 5.528 371 H ILE 106 H ILE 106 4.146 -3.699 3.447 372 HA ILE 106 HA ILE 106 2.491 -3.582 1.163 373 HB ILE 106 HB ILE 106 5.465 -3.707 1.594 374 HG12 ILE 106 2HG1 ILE 106 5.372 -1.730 -0.057 375 HG13 ILE 106 1HG1 ILE 106 3.626 -1.880 -0.005 376 HG21 ILE 106 1HG2 ILE 106 6.002 -3.908 -0.823 377 HG22 ILE 106 2HG2 ILE 106 4.312 -4.299 -1.148 378 HG23 ILE 106 3HG2 ILE 106 5.297 -5.389 -0.172 379 HD11 ILE 106 3HD1 ILE 106 3.684 -1.351 2.390 380 HD12 ILE 106 1HD1 ILE 106 4.400 -0.085 1.392 381 HD13 ILE 106 2HD1 ILE 106 5.435 -1.191 2.289 382 H ILE 107 H ILE 107 4.297 -6.297 2.606 383 HA ILE 107 HA ILE 107 3.820 -8.237 0.597 384 HB ILE 107 HB ILE 107 4.308 -8.617 3.588 385 HG12 ILE 107 2HG1 ILE 107 6.272 -8.841 1.254 386 HG13 ILE 107 1HG1 ILE 107 6.140 -7.445 2.315 387 HG21 ILE 107 1HG2 ILE 107 4.958 -10.955 3.049 388 HG22 ILE 107 2HG2 ILE 107 4.450 -10.707 1.378 389 HG23 ILE 107 3HG2 ILE 107 3.261 -10.648 2.680 390 HD11 ILE 107 3HD1 ILE 107 6.997 -10.222 3.126 391 HD12 ILE 107 1HD1 ILE 107 6.822 -8.842 4.217 392 HD13 ILE 107 2HD1 ILE 107 8.025 -8.803 2.930 393 H HIS 108 H HIS 108 2.044 -7.321 3.495 394 HA HIS 108 HA HIS 108 -0.016 -9.271 3.398 395 HB2 HIS 108 2HB HIS 108 0.609 -8.058 5.479 396 HB3 HIS 108 1HB HIS 108 0.060 -6.544 4.773 397 HD1 HIS 108 HD1 HIS 108 -1.559 -6.293 6.791 398 HD2 HIS 108 HD2 HIS 108 -2.347 -9.583 4.397 399 HE1 HIS 108 HE1 HIS 108 -3.824 -7.094 7.471 400 HE2 HIS 108 HE2 HIS 108 -4.370 -8.911 5.839 401 H ALA 109 H ALA 109 0.265 -5.930 2.228 402 HA ALA 109 HA ALA 109 -2.419 -5.535 1.425 403 HB1 ALA 109 3HB ALA 109 0.092 -4.149 0.407 404 HB2 ALA 109 1HB ALA 109 -0.864 -3.661 1.809 405 HB3 ALA 109 2HB ALA 109 -1.567 -3.580 0.193 406 H ARG 110 H ARG 110 0.493 -6.604 -0.334 407 HA ARG 110 HA ARG 110 -0.710 -6.688 -2.919 408 HB2 ARG 110 2HB ARG 110 1.747 -6.458 -2.578 409 HB3 ARG 110 1HB ARG 110 1.807 -8.092 -1.918 410 HG2 ARG 110 2HG ARG 110 1.029 -8.987 -4.097 411 HG3 ARG 110 1HG ARG 110 0.991 -7.348 -4.746 412 HD2 ARG 110 2HD ARG 110 3.419 -7.160 -4.446 413 HD3 ARG 110 1HD ARG 110 3.464 -8.789 -3.752 414 HE ARG 110 HE ARG 110 2.414 -9.437 -6.015 415 HH11 ARG 110 1HH1 ARG 110 4.897 -6.989 -5.594 416 HH12 ARG 110 2HH1 ARG 110 5.546 -7.200 -7.189 417 HH21 ARG 110 1HH2 ARG 110 3.255 -9.709 -8.087 418 HH22 ARG 110 2HH2 ARG 110 4.607 -8.754 -8.605 419 H ALA 111 H ALA 111 -0.374 -8.970 -0.277 420 HA ALA 111 HA ALA 111 -0.997 -11.392 -1.637 421 HB1 ALA 111 3HB ALA 111 0.097 -11.340 0.574 422 HB2 ALA 111 1HB ALA 111 -1.380 -12.307 0.612 423 HB3 ALA 111 2HB ALA 111 -1.372 -10.675 1.289 424 H LEU 112 H LEU 112 -2.863 -8.804 -0.317 425 HA LEU 112 HA LEU 112 -5.438 -10.105 -0.488 426 HB2 LEU 112 2HB LEU 112 -4.658 -7.214 0.033 427 HB3 LEU 112 1HB LEU 112 -6.312 -7.811 0.102 428 HG LEU 112 HG LEU 112 -4.042 -8.785 1.886 429 HD11 LEU 112 1HD1 LEU 112 -5.121 -7.599 3.721 430 HD12 LEU 112 2HD1 LEU 112 -6.310 -6.923 2.603 431 HD13 LEU 112 3HD1 LEU 112 -4.605 -6.491 2.451 432 HD21 LEU 112 3HD2 LEU 112 -7.003 -9.428 1.970 433 HD22 LEU 112 1HD2 LEU 112 -5.798 -9.930 3.162 434 HD23 LEU 112 2HD2 LEU 112 -5.696 -10.524 1.509 435 H VAL 113 H VAL 113 -3.672 -7.590 -2.340 436 HA VAL 113 HA VAL 113 -5.705 -6.928 -4.168 437 HB VAL 113 HB VAL 113 -2.698 -6.774 -4.698 438 HG11 VAL 113 1HG1 VAL 113 -3.293 -4.955 -6.304 439 HG12 VAL 113 2HG1 VAL 113 -5.004 -5.284 -6.024 440 HG13 VAL 113 3HG1 VAL 113 -3.979 -6.510 -6.774 441 HG21 VAL 113 3HG2 VAL 113 -4.524 -4.661 -3.495 442 HG22 VAL 113 1HG2 VAL 113 -2.818 -4.441 -3.895 443 HG23 VAL 113 2HG2 VAL 113 -3.291 -5.572 -2.629 444 H ARG 114 H ARG 114 -3.102 -9.362 -4.413 445 HA ARG 114 HA ARG 114 -3.451 -10.163 -7.085 446 HB2 ARG 114 2HB ARG 114 -2.198 -12.217 -6.464 447 HB3 ARG 114 1HB ARG 114 -1.445 -10.786 -5.766 448 HG2 ARG 114 2HG ARG 114 -2.303 -11.284 -3.586 449 HG3 ARG 114 1HG ARG 114 -3.363 -12.537 -4.213 450 HD2 ARG 114 2HD ARG 114 -1.353 -13.889 -4.784 451 HD3 ARG 114 1HD ARG 114 -0.346 -12.642 -4.036 452 HE ARG 114 HE ARG 114 -2.450 -13.603 -2.320 453 HH11 ARG 114 1HH1 ARG 114 0.865 -14.237 -3.322 454 HH12 ARG 114 2HH1 ARG 114 1.244 -15.119 -1.877 455 HH21 ARG 114 1HH2 ARG 114 -1.951 -14.761 -0.474 456 HH22 ARG 114 2HH2 ARG 114 -0.355 -15.415 -0.256 457 H GLU 115 H GLU 115 -4.974 -11.361 -4.119 458 HA GLU 115 HA GLU 115 -6.423 -13.501 -5.436 459 HB2 GLU 115 2HB GLU 115 -6.304 -12.550 -2.553 460 HB3 GLU 115 1HB GLU 115 -7.302 -13.907 -3.078 461 HG2 GLU 115 2HG GLU 115 -5.305 -15.116 -3.849 462 HG3 GLU 115 1HG GLU 115 -4.288 -13.746 -3.411 463 H CYS 116 H CYS 116 -7.016 -10.214 -4.599 464 HA CYS 116 HA CYS 116 -9.899 -10.364 -4.950 465 HB2 CYS 116 2HB CYS 116 -8.026 -7.979 -4.780 466 HB3 CYS 116 1HB CYS 116 -9.787 -7.892 -4.804 467 HG CYS 116 HG CYS 116 -10.239 -8.623 -2.343 468 H LEU 117 H LEU 117 -7.017 -9.728 -6.915 469 HA LEU 117 HA LEU 117 -8.194 -8.751 -9.284 470 HB2 LEU 117 2HB LEU 117 -5.717 -10.426 -8.773 471 HB3 LEU 117 1HB LEU 117 -6.187 -10.027 -10.414 472 HG LEU 117 HG LEU 117 -5.619 -7.902 -8.307 473 HD11 LEU 117 1HD1 LEU 117 -3.700 -8.998 -10.379 474 HD12 LEU 117 2HD1 LEU 117 -3.607 -9.265 -8.638 475 HD13 LEU 117 3HD1 LEU 117 -3.401 -7.641 -9.286 476 HD21 LEU 117 3HD2 LEU 117 -5.774 -7.724 -11.343 477 HD22 LEU 117 1HD2 LEU 117 -5.383 -6.398 -10.239 478 HD23 LEU 117 2HD2 LEU 117 -6.984 -7.127 -10.204 479 H ALA 118 H ALA 118 -8.107 -11.926 -7.858 480 HA ALA 118 HA ALA 118 -8.964 -13.535 -9.994 481 HB1 ALA 118 3HB ALA 118 -9.488 -13.873 -7.018 482 HB2 ALA 118 1HB ALA 118 -8.066 -14.450 -7.893 483 HB3 ALA 118 2HB ALA 118 -9.654 -15.133 -8.242 484 H GLU 119 H GLU 119 -10.998 -12.113 -7.311 485 HA GLU 119 HA GLU 119 -13.464 -12.765 -8.512 486 HB2 GLU 119 2HB GLU 119 -14.476 -11.515 -6.737 487 HB3 GLU 119 1HB GLU 119 -13.051 -12.287 -6.057 488 HG2 GLU 119 2HG GLU 119 -11.820 -10.139 -6.227 489 HG3 GLU 119 1HG GLU 119 -13.264 -9.372 -6.885 490 H THR 120 H THR 120 -11.387 -9.967 -8.836 491 HA THR 120 HA THR 120 -13.291 -8.157 -9.993 492 HB THR 120 HB THR 120 -10.236 -8.035 -9.954 493 HG1 THR 120 HG1 THR 120 -11.620 -8.010 -7.900 494 HG21 THR 120 3HG2 THR 120 -12.229 -5.789 -10.446 495 HG22 THR 120 1HG2 THR 120 -11.154 -6.486 -11.661 496 HG23 THR 120 2HG2 THR 120 -10.482 -5.595 -10.294 497 H GLU 121 H GLU 121 -11.140 -10.649 -11.151 498 HA GLU 121 HA GLU 121 -10.948 -10.042 -13.892 499 HB2 GLU 121 2HB GLU 121 -9.555 -11.735 -12.691 500 HB3 GLU 121 1HB GLU 121 -10.959 -12.788 -12.576 501 HG2 GLU 121 2HG GLU 121 -9.453 -13.494 -14.385 502 HG3 GLU 121 1HG GLU 121 -11.027 -13.002 -15.016 503 H ARG 122 H ARG 122 -13.404 -11.707 -12.007 504 HA ARG 122 HA ARG 122 -14.962 -12.697 -14.200 505 HB2 ARG 122 2HB ARG 122 -15.481 -12.428 -11.216 506 HB3 ARG 122 1HB ARG 122 -16.778 -12.908 -12.304 507 HG2 ARG 122 2HG ARG 122 -15.780 -14.877 -11.276 508 HG3 ARG 122 1HG ARG 122 -15.470 -14.878 -13.011 509 HD2 ARG 122 2HD ARG 122 -13.160 -13.980 -12.529 510 HD3 ARG 122 1HD ARG 122 -13.502 -14.162 -10.805 511 HE ARG 122 HE ARG 122 -13.979 -16.627 -11.998 512 HH11 ARG 122 1HH1 ARG 122 -11.189 -14.521 -11.563 513 HH12 ARG 122 2HH1 ARG 122 -10.055 -15.830 -11.549 514 HH21 ARG 122 1HH2 ARG 122 -12.486 -18.324 -11.905 515 HH22 ARG 122 2HH2 ARG 122 -10.792 -17.987 -11.740 516 H ASN 123 H ASN 123 -14.572 -9.619 -12.819 517 HA ASN 123 HA ASN 123 -17.062 -8.572 -14.042 518 HB2 ASN 123 2HB ASN 123 -16.605 -8.059 -11.602 519 HB3 ASN 123 1HB ASN 123 -15.158 -7.176 -12.092 520 HD21 ASN 123 1HD2 ASN 123 -15.935 -5.237 -11.285 521 HD22 ASN 123 2HD2 ASN 123 -17.220 -4.353 -12.030 522 H ALA 124 H ALA 124 -15.280 -9.359 -15.883 523 HA ALA 124 HA ALA 124 -13.653 -7.100 -16.804 524 HB1 ALA 124 3HB ALA 124 -12.767 -9.394 -16.995 525 HB2 ALA 124 1HB ALA 124 -12.925 -8.630 -18.579 526 HB3 ALA 124 2HB ALA 124 -14.105 -9.835 -18.057 527 H ARG 125 H ARG 125 -16.665 -7.004 -16.664 528 HA ARG 125 HA ARG 125 -17.946 -7.243 -19.143 529 HB2 ARG 125 2HB ARG 125 -19.178 -7.100 -17.032 530 HB3 ARG 125 1HB ARG 125 -18.576 -5.473 -16.744 531 HG2 ARG 125 2HG ARG 125 -20.877 -5.333 -17.465 532 HG3 ARG 125 1HG ARG 125 -19.857 -4.682 -18.748 533 HD2 ARG 125 2HD ARG 125 -20.063 -6.867 -19.956 534 HD3 ARG 125 1HD ARG 125 -21.147 -7.440 -18.682 535 HE ARG 125 HE ARG 125 -21.775 -5.040 -20.286 536 HH11 ARG 125 1HH1 ARG 125 -22.729 -8.233 -19.152 537 HH12 ARG 125 2HH1 ARG 125 -24.340 -8.104 -19.789 538 HH21 ARG 125 1HH2 ARG 125 -23.878 -4.878 -21.080 539 HH22 ARG 125 2HH2 ARG 125 -24.987 -6.198 -20.879 540 H THR 126 H THR 126 -16.417 -4.413 -17.626 541 HA THR 126 HA THR 126 -15.581 -2.479 -18.362 542 HB THR 126 HB THR 126 -15.799 -3.534 -21.203 543 HG1 THR 126 HG1 THR 126 -14.661 -4.925 -19.671 544 HG21 THR 126 3HG2 THR 126 -13.871 -2.049 -21.661 545 HG22 THR 126 1HG2 THR 126 -13.934 -1.456 -19.994 546 HG23 THR 126 2HG2 THR 126 -15.266 -1.127 -21.101 547 H1 SER 58 1H SER 58 1.967 11.901 -15.468 548 H2 SER 58 2H SER 58 1.376 11.651 -13.908 549 H3 SER 58 3H SER 58 2.631 10.688 -14.501 550 HA SER 58 HA SER 58 2.757 13.589 -13.969 551 HB2 SER 58 2HB SER 58 4.440 12.820 -12.183 552 HB3 SER 58 1HB SER 58 2.754 12.419 -11.859 553 HG SER 58 HG SER 58 3.643 10.520 -11.555 554 H HIS 59 H HIS 59 4.833 10.724 -14.451 555 HA HIS 59 HA HIS 59 6.956 12.227 -15.720 556 HB2 HIS 59 2HB HIS 59 6.547 9.239 -15.224 557 HB3 HIS 59 1HB HIS 59 7.990 9.904 -15.988 558 HD1 HIS 59 HD1 HIS 59 9.855 10.205 -14.402 559 HD2 HIS 59 HD2 HIS 59 6.182 10.600 -12.516 560 HE1 HIS 59 HE1 HIS 59 10.374 10.576 -11.982 561 HE2 HIS 59 HE2 HIS 59 8.147 11.085 -10.935 562 H MET 60 H MET 60 7.918 11.046 -17.781 563 HA MET 60 HA MET 60 6.067 11.440 -19.944 564 HB2 MET 60 2HB MET 60 8.947 10.433 -19.959 565 HB3 MET 60 1HB MET 60 8.015 10.799 -21.408 566 HG2 MET 60 2HG MET 60 9.530 12.630 -20.896 567 HG3 MET 60 1HG MET 60 7.860 13.165 -20.694 568 HE1 MET 60 3HE MET 60 8.945 15.292 -19.394 569 HE2 MET 60 1HE MET 60 10.580 14.627 -19.445 570 HE3 MET 60 2HE MET 60 9.883 15.142 -17.908 571 H ALA 61 H ALA 61 4.507 9.877 -19.366 572 HA ALA 61 HA ALA 61 5.148 7.036 -19.490 573 HB1 ALA 61 3HB ALA 61 3.567 7.836 -17.774 574 HB2 ALA 61 1HB ALA 61 2.776 6.714 -18.883 575 HB3 ALA 61 2HB ALA 61 2.489 8.449 -19.028 576 H MET 62 H MET 62 5.519 6.331 -21.498 577 HA MET 62 HA MET 62 4.409 7.251 -23.927 578 HB2 MET 62 2HB MET 62 6.548 5.989 -23.753 579 HB3 MET 62 1HB MET 62 5.661 4.554 -23.266 580 HG2 MET 62 2HG MET 62 4.530 4.540 -25.495 581 HG3 MET 62 1HG MET 62 5.515 5.925 -25.964 582 HE1 MET 62 3HE MET 62 6.624 2.803 -23.770 583 HE2 MET 62 1HE MET 62 7.269 1.749 -25.025 584 HE3 MET 62 2HE MET 62 5.542 2.096 -24.974 585 H LYS 63 H LYS 63 3.270 5.059 -21.512 586 HA LYS 63 HA LYS 63 1.357 3.973 -21.116 587 HB2 LYS 63 2HB LYS 63 0.145 5.951 -21.862 588 HB3 LYS 63 1HB LYS 63 0.339 5.479 -23.544 589 HG2 LYS 63 2HG LYS 63 -1.079 3.434 -23.041 590 HG3 LYS 63 1HG LYS 63 -1.393 4.128 -21.448 591 HD2 LYS 63 2HD LYS 63 -3.233 4.597 -23.043 592 HD3 LYS 63 1HD LYS 63 -2.461 6.080 -22.475 593 HE2 LYS 63 2HE LYS 63 -1.202 6.266 -24.575 594 HE3 LYS 63 1HE LYS 63 -1.863 4.727 -25.136 595 HZ1 LYS 63 3HZ LYS 63 -3.003 6.657 -26.082 596 HZ2 LYS 63 1HZ LYS 63 -3.471 7.148 -24.535 597 HZ3 LYS 63 2HZ LYS 63 -4.049 5.691 -25.171 598 HA PRO 64 HA PRO 64 2.180 0.506 -24.051 599 HB2 PRO 64 2HB PRO 64 2.624 -1.396 -22.137 600 HB3 PRO 64 1HB PRO 64 3.905 -0.289 -22.666 601 HG2 PRO 64 2HG PRO 64 2.210 -0.149 -20.195 602 HG3 PRO 64 1HG PRO 64 3.953 0.148 -20.385 603 HD2 PRO 64 2HD PRO 64 2.084 2.171 -20.276 604 HD3 PRO 64 1HD PRO 64 3.642 2.325 -21.116 605 HA PRO 65 HA PRO 65 -2.175 -0.924 -23.950 606 HB2 PRO 65 2HB PRO 65 -0.812 -3.592 -24.469 607 HB3 PRO 65 1HB PRO 65 -2.255 -2.899 -25.247 608 HG2 PRO 65 2HG PRO 65 0.061 -2.800 -26.518 609 HG3 PRO 65 1HG PRO 65 -1.017 -1.386 -26.539 610 HD2 PRO 65 2HD PRO 65 1.530 -1.782 -25.002 611 HD3 PRO 65 1HD PRO 65 0.843 -0.292 -25.685 612 H GLY 66 H GLY 66 -3.114 -1.011 -21.975 613 HA2 GLY 66 2HA GLY 66 -1.852 -2.065 -19.644 614 HA3 GLY 66 1HA GLY 66 -3.474 -1.398 -19.754 615 H ALA 67 H ALA 67 -3.635 -3.194 -18.071 616 HA ALA 67 HA ALA 67 -3.764 -5.929 -18.848 617 HB1 ALA 67 3HB ALA 67 -4.986 -6.269 -16.738 618 HB2 ALA 67 1HB ALA 67 -5.199 -4.526 -16.557 619 HB3 ALA 67 2HB ALA 67 -3.582 -5.232 -16.487 620 H GLN 68 H GLN 68 -5.329 -7.028 -19.921 621 HA GLN 68 HA GLN 68 -7.395 -5.590 -21.274 622 HB2 GLN 68 2HB GLN 68 -7.975 -7.808 -22.286 623 HB3 GLN 68 1HB GLN 68 -6.275 -7.379 -22.439 624 HG2 GLN 68 2HG GLN 68 -5.732 -8.888 -20.549 625 HG3 GLN 68 1HG GLN 68 -7.433 -9.348 -20.447 626 HE21 GLN 68 1HE2 GLN 68 -4.520 -9.569 -22.386 627 HE22 GLN 68 2HE2 GLN 68 -5.049 -10.889 -23.368 628 H GLY 69 H GLY 69 -9.659 -5.908 -21.193 629 HA2 GLY 69 2HA GLY 69 -11.697 -6.397 -20.165 630 HA3 GLY 69 1HA GLY 69 -10.852 -7.151 -18.817 631 H SER 70 H SER 70 -11.754 -6.045 -17.127 632 HA SER 70 HA SER 70 -11.800 -3.077 -17.172 633 HB2 SER 70 2HB SER 70 -13.413 -4.952 -15.415 634 HB3 SER 70 1HB SER 70 -13.663 -3.219 -15.651 635 HG SER 70 HG SER 70 -13.779 -4.096 -18.008 636 H GLN 71 H GLN 71 -9.819 -5.395 -16.082 637 HA GLN 71 HA GLN 71 -9.651 -4.771 -13.238 638 HB2 GLN 71 2HB GLN 71 -8.050 -6.712 -14.970 639 HB3 GLN 71 1HB GLN 71 -7.900 -6.571 -13.226 640 HG2 GLN 71 2HG GLN 71 -9.214 -8.507 -13.664 641 HG3 GLN 71 1HG GLN 71 -10.300 -7.278 -13.026 642 HE21 GLN 71 1HE2 GLN 71 -9.339 -9.044 -15.868 643 HE22 GLN 71 2HE2 GLN 71 -10.771 -8.733 -16.786 644 H SER 72 H SER 72 -8.786 -2.746 -15.370 645 HA SER 72 HA SER 72 -5.942 -2.953 -15.718 646 HB2 SER 72 2HB SER 72 -7.793 -0.614 -16.362 647 HB3 SER 72 1HB SER 72 -6.185 -0.914 -17.030 648 HG SER 72 HG SER 72 -7.276 -3.041 -17.647 649 H THR 73 H THR 73 -8.099 -0.631 -14.059 650 HA THR 73 HA THR 73 -6.041 0.964 -12.919 651 HB THR 73 HB THR 73 -9.010 0.738 -12.246 652 HG1 THR 73 HG1 THR 73 -8.482 1.325 -14.432 653 HG21 THR 73 3HG2 THR 73 -7.799 1.901 -10.427 654 HG22 THR 73 1HG2 THR 73 -8.810 3.031 -11.335 655 HG23 THR 73 2HG2 THR 73 -7.067 2.992 -11.607 656 H TYR 74 H TYR 74 -7.653 -1.958 -11.913 657 HA TYR 74 HA TYR 74 -6.816 -1.791 -9.150 658 HB2 TYR 74 2HB TYR 74 -8.963 -2.929 -9.936 659 HB3 TYR 74 1HB TYR 74 -7.957 -4.226 -10.574 660 HD1 TYR 74 HD1 TYR 74 -7.959 -2.210 -7.421 661 HD2 TYR 74 HD2 TYR 74 -8.025 -6.132 -9.109 662 HE1 TYR 74 HE1 TYR 74 -7.823 -3.168 -5.191 663 HE2 TYR 74 HE2 TYR 74 -7.882 -7.090 -6.845 664 HH TYR 74 HH TYR 74 -8.278 -5.166 -4.021 665 H THR 75 H THR 75 -5.583 -3.147 -12.137 666 HA THR 75 HA THR 75 -3.503 -4.773 -10.998 667 HB THR 75 HB THR 75 -3.745 -3.565 -13.790 668 HG1 THR 75 HG1 THR 75 -5.247 -5.352 -12.675 669 HG21 THR 75 3HG2 THR 75 -2.206 -5.385 -14.508 670 HG22 THR 75 1HG2 THR 75 -1.992 -5.854 -12.822 671 HG23 THR 75 2HG2 THR 75 -1.425 -4.277 -13.373 672 H ASP 76 H ASP 76 -3.837 -1.414 -12.094 673 HA ASP 76 HA ASP 76 -1.294 -0.390 -11.655 674 HB2 ASP 76 2HB ASP 76 -4.010 0.894 -11.177 675 HB3 ASP 76 1HB ASP 76 -2.523 1.779 -10.867 676 H LEU 77 H LEU 77 -3.866 -1.138 -9.253 677 HA LEU 77 HA LEU 77 -2.568 -0.084 -6.987 678 HB2 LEU 77 2HB LEU 77 -4.943 -0.689 -6.915 679 HB3 LEU 77 1HB LEU 77 -4.544 -2.391 -7.104 680 HG LEU 77 HG LEU 77 -3.393 -2.384 -4.886 681 HD11 LEU 77 1HD1 LEU 77 -3.569 -0.475 -3.362 682 HD12 LEU 77 2HD1 LEU 77 -4.294 0.496 -4.647 683 HD13 LEU 77 3HD1 LEU 77 -2.633 -0.082 -4.802 684 HD21 LEU 77 3HD2 LEU 77 -5.357 -2.159 -3.439 685 HD22 LEU 77 1HD2 LEU 77 -5.722 -3.023 -4.928 686 HD23 LEU 77 2HD2 LEU 77 -6.228 -1.340 -4.743 687 H LEU 78 H LEU 78 -2.573 -3.418 -8.268 688 HA LEU 78 HA LEU 78 -0.985 -4.741 -6.432 689 HB2 LEU 78 2HB LEU 78 -2.166 -5.761 -8.396 690 HB3 LEU 78 1HB LEU 78 -0.960 -5.064 -9.462 691 HG LEU 78 HG LEU 78 0.787 -6.479 -8.230 692 HD11 LEU 78 1HD1 LEU 78 0.019 -8.438 -6.980 693 HD12 LEU 78 2HD1 LEU 78 -1.646 -7.865 -7.082 694 HD13 LEU 78 3HD1 LEU 78 -0.442 -6.935 -6.186 695 HD21 LEU 78 3HD2 LEU 78 -0.023 -7.076 -10.460 696 HD22 LEU 78 1HD2 LEU 78 -1.367 -7.976 -9.751 697 HD23 LEU 78 2HD2 LEU 78 0.294 -8.514 -9.494 698 H SER 79 H SER 79 -0.003 -2.800 -9.201 699 HA SER 79 HA SER 79 2.806 -3.069 -8.912 700 HB2 SER 79 2HB SER 79 1.169 -1.012 -10.424 701 HB3 SER 79 1HB SER 79 2.895 -1.321 -10.642 702 HG SER 79 HG SER 79 0.759 -2.675 -11.629 703 H VAL 80 H VAL 80 0.471 -0.564 -7.815 704 HA VAL 80 HA VAL 80 2.352 1.372 -6.950 705 HB VAL 80 HB VAL 80 -0.526 0.876 -6.047 706 HG11 VAL 80 1HG1 VAL 80 -0.493 3.124 -4.978 707 HG12 VAL 80 2HG1 VAL 80 1.240 3.238 -5.294 708 HG13 VAL 80 3HG1 VAL 80 0.623 2.011 -4.185 709 HG21 VAL 80 3HG2 VAL 80 0.659 3.027 -7.838 710 HG22 VAL 80 1HG2 VAL 80 -1.047 2.876 -7.410 711 HG23 VAL 80 2HG2 VAL 80 -0.264 1.633 -8.386 712 H ILE 81 H ILE 81 0.818 -1.364 -5.263 713 HA ILE 81 HA ILE 81 1.767 -1.059 -2.693 714 HB ILE 81 HB ILE 81 1.443 -3.713 -4.168 715 HG12 ILE 81 2HG1 ILE 81 -0.657 -2.424 -4.248 716 HG13 ILE 81 1HG1 ILE 81 -0.848 -3.789 -3.162 717 HG21 ILE 81 1HG2 ILE 81 1.112 -4.701 -1.908 718 HG22 ILE 81 2HG2 ILE 81 1.506 -3.141 -1.183 719 HG23 ILE 81 3HG2 ILE 81 2.724 -4.016 -2.111 720 HD11 ILE 81 3HD1 ILE 81 -1.922 -1.841 -2.272 721 HD12 ILE 81 1HD1 ILE 81 -0.433 -0.906 -2.386 722 HD13 ILE 81 2HD1 ILE 81 -0.547 -2.254 -1.249 723 H GLU 82 H GLU 82 3.357 -2.812 -5.368 724 HA GLU 82 HA GLU 82 5.678 -3.428 -3.797 725 HB2 GLU 82 2HB GLU 82 6.553 -4.545 -5.716 726 HB3 GLU 82 1HB GLU 82 4.834 -4.901 -5.627 727 HG2 GLU 82 2HG GLU 82 4.393 -3.258 -7.401 728 HG3 GLU 82 1HG GLU 82 6.113 -2.875 -7.486 729 H GLU 83 H GLU 83 4.855 -0.762 -5.973 730 HA GLU 83 HA GLU 83 7.498 0.262 -6.333 731 HB2 GLU 83 2HB GLU 83 4.816 1.722 -6.349 732 HB3 GLU 83 1HB GLU 83 6.343 2.495 -6.750 733 HG2 GLU 83 2HG GLU 83 4.930 0.307 -8.287 734 HG3 GLU 83 1HG GLU 83 5.214 1.968 -8.796 735 H MET 84 H MET 84 4.915 1.008 -3.990 736 HA MET 84 HA MET 84 6.312 2.680 -2.255 737 HB2 MET 84 2HB MET 84 4.080 0.693 -1.666 738 HB3 MET 84 1HB MET 84 4.630 1.923 -0.532 739 HG2 MET 84 2HG MET 84 4.003 3.671 -2.189 740 HG3 MET 84 1HG MET 84 3.346 2.409 -3.228 741 HE1 MET 84 3HE MET 84 2.098 0.487 -0.758 742 HE2 MET 84 1HE MET 84 1.279 0.747 -2.300 743 HE3 MET 84 2HE MET 84 0.434 1.072 -0.789 744 H GLY 85 H GLY 85 6.220 -0.835 -2.480 745 HA2 GLY 85 2HA GLY 85 7.691 -1.565 -0.215 746 HA3 GLY 85 1HA GLY 85 7.585 -2.485 -1.698 747 H LYS 86 H LYS 86 8.762 -0.318 -3.316 748 HA LYS 86 HA LYS 86 11.583 -0.898 -2.934 749 HB2 LYS 86 2HB LYS 86 10.172 0.891 -4.975 750 HB3 LYS 86 1HB LYS 86 11.880 0.455 -5.023 751 HG2 LYS 86 2HG LYS 86 11.384 -1.839 -5.510 752 HG3 LYS 86 1HG LYS 86 9.673 -1.623 -5.130 753 HD2 LYS 86 2HD LYS 86 9.533 -0.031 -7.109 754 HD3 LYS 86 1HD LYS 86 11.181 -0.508 -7.527 755 HE2 LYS 86 2HE LYS 86 8.857 -2.455 -7.300 756 HE3 LYS 86 1HE LYS 86 9.378 -1.718 -8.812 757 HZ1 LYS 86 3HZ LYS 86 11.472 -2.812 -8.649 758 HZ2 LYS 86 1HZ LYS 86 10.261 -3.968 -8.439 759 HZ3 LYS 86 2HZ LYS 86 11.126 -3.401 -7.102 760 H GLU 87 H GLU 87 9.315 1.683 -2.229 761 HA GLU 87 HA GLU 87 11.259 3.795 -1.922 762 HB2 GLU 87 2HB GLU 87 8.338 3.783 -1.050 763 HB3 GLU 87 1HB GLU 87 9.378 5.197 -1.172 764 HG2 GLU 87 2HG GLU 87 8.259 3.511 -3.409 765 HG3 GLU 87 1HG GLU 87 7.925 5.205 -3.056 766 H ILE 88 H ILE 88 10.030 1.323 0.151 767 HA ILE 88 HA ILE 88 9.875 2.541 2.660 768 HB ILE 88 HB ILE 88 10.776 -0.305 2.026 769 HG12 ILE 88 2HG1 ILE 88 7.995 0.772 2.664 770 HG13 ILE 88 1HG1 ILE 88 8.567 0.306 1.067 771 HG21 ILE 88 1HG2 ILE 88 10.021 -0.887 4.332 772 HG22 ILE 88 2HG2 ILE 88 9.728 0.821 4.654 773 HG23 ILE 88 3HG2 ILE 88 11.370 0.251 4.347 774 HD11 ILE 88 3HD1 ILE 88 8.847 -1.999 1.870 775 HD12 ILE 88 1HD1 ILE 88 7.190 -1.412 1.968 776 HD13 ILE 88 2HD1 ILE 88 8.170 -1.508 3.427 777 H ARG 89 H ARG 89 12.677 1.066 1.098 778 HA ARG 89 HA ARG 89 14.443 1.296 3.344 779 HB2 ARG 89 2HB ARG 89 15.113 0.732 0.441 780 HB3 ARG 89 1HB ARG 89 16.232 0.548 1.790 781 HG2 ARG 89 2HG ARG 89 14.979 -1.271 2.708 782 HG3 ARG 89 1HG ARG 89 13.613 -0.970 1.628 783 HD2 ARG 89 2HD ARG 89 16.373 -1.884 0.759 784 HD3 ARG 89 1HD ARG 89 14.948 -2.918 0.914 785 HE ARG 89 HE ARG 89 14.951 -0.597 -0.917 786 HH11 ARG 89 1HH1 ARG 89 14.627 -4.082 -0.488 787 HH12 ARG 89 2HH1 ARG 89 14.062 -4.335 -2.110 788 HH21 ARG 89 1HH2 ARG 89 14.195 -0.939 -2.995 789 HH22 ARG 89 2HH2 ARG 89 13.818 -2.545 -3.529 790 HA PRO 90 HA PRO 90 16.421 5.156 1.036 791 HB2 PRO 90 2HB PRO 90 14.814 6.478 -0.823 792 HB3 PRO 90 1HB PRO 90 16.080 5.309 -1.245 793 HG2 PRO 90 2HG PRO 90 13.128 4.883 -1.025 794 HG3 PRO 90 1HG PRO 90 14.270 4.264 -2.240 795 HD2 PRO 90 2HD PRO 90 13.387 2.705 -0.223 796 HD3 PRO 90 1HD PRO 90 15.039 2.556 -0.853 797 H THR 91 H THR 91 12.829 5.200 1.440 798 HA THR 91 HA THR 91 12.497 7.657 2.739 799 HB THR 91 HB THR 91 11.061 5.001 3.187 800 HG1 THR 91 HG1 THR 91 10.020 5.604 1.466 801 HG21 THR 91 3HG2 THR 91 10.699 6.355 5.212 802 HG22 THR 91 1HG2 THR 91 9.220 6.284 4.248 803 HG23 THR 91 2HG2 THR 91 10.223 7.733 4.217 804 H TYR 92 H TYR 92 13.248 4.479 4.093 805 HA TYR 92 HA TYR 92 13.645 5.145 6.766 806 HB2 TYR 92 2HB TYR 92 13.327 2.830 5.920 807 HB3 TYR 92 1HB TYR 92 14.915 2.885 5.158 808 HD1 TYR 92 HD2 TYR 92 13.361 3.447 8.517 809 HD2 TYR 92 HD1 TYR 92 16.685 1.865 6.357 810 HE1 TYR 92 HE2 TYR 92 14.342 2.668 10.604 811 HE2 TYR 92 HE1 TYR 92 17.670 1.073 8.461 812 HH TYR 92 HH TYR 92 17.537 1.708 10.880 813 H ALA 93 H ALA 93 15.786 5.460 4.009 814 HA ALA 93 HA ALA 93 18.180 6.040 5.576 815 HB1 ALA 93 3HB ALA 93 19.261 6.261 3.380 816 HB2 ALA 93 1HB ALA 93 17.691 6.169 2.575 817 HB3 ALA 93 2HB ALA 93 18.318 4.773 3.456 818 H GLY 94 H GLY 94 15.526 7.833 5.258 819 HA2 GLY 94 2HA GLY 94 15.153 10.036 5.752 820 HA3 GLY 94 1HA GLY 94 16.882 10.322 5.740 821 H SER 95 H SER 95 15.829 8.897 2.826 822 HA SER 95 HA SER 95 16.196 11.292 1.274 823 HB2 SER 95 2HB SER 95 15.099 8.594 0.360 824 HB3 SER 95 1HB SER 95 15.817 9.848 -0.659 825 HG SER 95 HG SER 95 17.596 9.342 1.178 826 H LYS 96 H LYS 96 14.697 12.838 1.438 827 HA LYS 96 HA LYS 96 12.060 12.755 2.132 828 HB2 LYS 96 2HB LYS 96 13.279 14.845 1.998 829 HB3 LYS 96 1HB LYS 96 13.457 14.683 0.258 830 HG2 LYS 96 2HG LYS 96 10.936 14.925 0.050 831 HG3 LYS 96 1HG LYS 96 10.886 15.257 1.781 832 HD2 LYS 96 2HD LYS 96 10.828 17.349 0.486 833 HD3 LYS 96 1HD LYS 96 12.308 17.255 1.447 834 HE2 LYS 96 2HE LYS 96 12.684 18.095 -0.893 835 HE3 LYS 96 1HE LYS 96 13.608 16.638 -0.520 836 HZ1 LYS 96 3HZ LYS 96 12.067 15.328 -1.754 837 HZ2 LYS 96 1HZ LYS 96 12.513 16.634 -2.725 838 HZ3 LYS 96 2HZ LYS 96 11.007 16.628 -1.959 839 H SER 97 H SER 97 13.320 12.645 -1.211 840 HA SER 97 HA SER 97 10.899 12.836 -2.598 841 HB2 SER 97 2HB SER 97 13.457 11.421 -3.456 842 HB3 SER 97 1HB SER 97 12.157 11.928 -4.539 843 HG SER 97 HG SER 97 14.195 13.386 -3.490 844 H ALA 98 H ALA 98 12.590 9.929 -1.412 845 HA ALA 98 HA ALA 98 10.944 7.913 -2.419 846 HB1 ALA 98 3HB ALA 98 13.098 7.506 -1.326 847 HB2 ALA 98 1HB ALA 98 11.816 6.533 -0.595 848 HB3 ALA 98 2HB ALA 98 12.408 7.981 0.227 849 H MET 99 H MET 99 10.819 9.532 0.734 850 HA MET 99 HA MET 99 8.473 8.346 1.758 851 HB2 MET 99 2HB MET 99 10.057 9.333 3.251 852 HB3 MET 99 1HB MET 99 10.034 10.865 2.403 853 HG2 MET 99 2HG MET 99 7.591 9.882 3.865 854 HG3 MET 99 1HG MET 99 8.889 10.709 4.720 855 HE1 MET 99 3HE MET 99 8.886 14.212 2.923 856 HE2 MET 99 1HE MET 99 9.835 12.811 2.425 857 HE3 MET 99 2HE MET 99 9.671 13.206 4.138 858 H GLU 100 H GLU 100 8.999 11.066 -0.309 859 HA GLU 100 HA GLU 100 6.454 12.355 -0.065 860 HB2 GLU 100 2HB GLU 100 8.779 13.280 -0.810 861 HB3 GLU 100 1HB GLU 100 8.414 12.588 -2.383 862 HG2 GLU 100 2HG GLU 100 6.463 14.056 -2.590 863 HG3 GLU 100 1HG GLU 100 6.757 14.691 -0.969 864 H ARG 101 H ARG 101 7.932 10.049 -2.220 865 HA ARG 101 HA ARG 101 5.675 9.723 -4.025 866 HB2 ARG 101 2HB ARG 101 8.052 9.367 -4.787 867 HB3 ARG 101 1HB ARG 101 8.138 7.942 -3.757 868 HG2 ARG 101 2HG ARG 101 6.262 6.927 -5.071 869 HG3 ARG 101 1HG ARG 101 6.289 8.332 -6.135 870 HD2 ARG 101 2HD ARG 101 8.598 7.762 -6.812 871 HD3 ARG 101 1HD ARG 101 8.562 6.359 -5.737 872 HE ARG 101 HE ARG 101 6.661 6.668 -7.973 873 HH11 ARG 101 1HH1 ARG 101 9.030 4.654 -6.309 874 HH12 ARG 101 2HH1 ARG 101 8.714 3.282 -7.320 875 HH21 ARG 101 1HH2 ARG 101 6.287 4.866 -9.247 876 HH22 ARG 101 2HH2 ARG 101 7.172 3.407 -8.972 877 H LEU 102 H LEU 102 6.845 8.272 -1.091 878 HA LEU 102 HA LEU 102 5.395 5.797 -1.197 879 HB2 LEU 102 2HB LEU 102 7.496 6.124 0.087 880 HB3 LEU 102 1HB LEU 102 6.691 7.281 1.127 881 HG LEU 102 HG LEU 102 5.271 5.484 2.066 882 HD11 LEU 102 1HD1 LEU 102 5.102 4.006 0.145 883 HD12 LEU 102 2HD1 LEU 102 5.679 3.131 1.560 884 HD13 LEU 102 3HD1 LEU 102 6.813 3.588 0.286 885 HD21 LEU 102 3HD2 LEU 102 8.220 4.794 2.157 886 HD22 LEU 102 1HD2 LEU 102 6.995 4.294 3.327 887 HD23 LEU 102 2HD2 LEU 102 7.405 6.000 3.156 888 H LYS 103 H LYS 103 4.929 8.925 0.500 889 HA LYS 103 HA LYS 103 2.443 8.493 1.690 890 HB2 LYS 103 2HB LYS 103 3.692 11.019 0.571 891 HB3 LYS 103 1HB LYS 103 2.146 11.030 1.416 892 HG2 LYS 103 2HG LYS 103 3.200 10.250 3.467 893 HG3 LYS 103 1HG LYS 103 4.756 10.075 2.642 894 HD2 LYS 103 2HD LYS 103 4.650 12.178 3.961 895 HD3 LYS 103 1HD LYS 103 4.856 12.491 2.236 896 HE2 LYS 103 2HE LYS 103 2.302 12.826 2.150 897 HE3 LYS 103 1HE LYS 103 2.348 12.837 3.912 898 HZ1 LYS 103 3HZ LYS 103 3.681 14.731 2.065 899 HZ2 LYS 103 1HZ LYS 103 3.967 14.692 3.734 900 HZ3 LYS 103 2HZ LYS 103 2.424 15.057 3.149 901 H ARG 104 H ARG 104 3.182 9.881 -1.528 902 HA ARG 104 HA ARG 104 0.555 10.255 -2.427 903 HB2 ARG 104 2HB ARG 104 2.504 11.253 -3.583 904 HB3 ARG 104 1HB ARG 104 3.053 9.648 -4.062 905 HG2 ARG 104 2HG ARG 104 0.972 9.362 -5.403 906 HG3 ARG 104 1HG ARG 104 0.481 10.993 -4.954 907 HD2 ARG 104 2HD ARG 104 2.398 11.931 -6.157 908 HD3 ARG 104 1HD ARG 104 2.973 10.300 -6.542 909 HE ARG 104 HE ARG 104 0.433 10.320 -7.488 910 HH11 ARG 104 1HH1 ARG 104 3.199 12.390 -8.134 911 HH12 ARG 104 2HH1 ARG 104 2.677 12.760 -9.742 912 HH21 ARG 104 1HH2 ARG 104 -0.232 10.832 -9.557 913 HH22 ARG 104 2HH2 ARG 104 0.737 11.875 -10.546 914 H GLY 105 H GLY 105 2.708 7.473 -2.493 915 HA2 GLY 105 2HA GLY 105 1.328 5.671 -4.089 916 HA3 GLY 105 1HA GLY 105 2.378 5.253 -2.746 917 H ILE 106 H ILE 106 1.121 6.088 -0.525 918 HA ILE 106 HA ILE 106 -0.944 4.190 -0.169 919 HB ILE 106 HB ILE 106 0.272 6.288 1.626 920 HG12 ILE 106 2HG1 ILE 106 0.531 4.184 3.139 921 HG13 ILE 106 1HG1 ILE 106 -0.003 3.260 1.750 922 HG21 ILE 106 1HG2 ILE 106 -1.251 5.719 3.508 923 HG22 ILE 106 2HG2 ILE 106 -2.258 4.798 2.394 924 HG23 ILE 106 3HG2 ILE 106 -2.094 6.542 2.197 925 HD11 ILE 106 3HD1 ILE 106 2.382 3.177 1.986 926 HD12 ILE 106 1HD1 ILE 106 2.481 4.935 1.943 927 HD13 ILE 106 2HD1 ILE 106 1.964 4.052 0.515 928 H ILE 107 H ILE 107 -1.099 7.752 -0.587 929 HA ILE 107 HA ILE 107 -3.846 8.127 -0.020 930 HB ILE 107 HB ILE 107 -2.165 9.717 -2.026 931 HG12 ILE 107 2HG1 ILE 107 -2.630 10.332 0.932 932 HG13 ILE 107 1HG1 ILE 107 -1.157 9.626 0.285 933 HG21 ILE 107 1HG2 ILE 107 -3.768 11.567 -1.617 934 HG22 ILE 107 2HG2 ILE 107 -4.723 10.513 -0.573 935 HG23 ILE 107 3HG2 ILE 107 -4.576 10.153 -2.295 936 HD11 ILE 107 3HD1 ILE 107 -0.883 11.991 0.699 937 HD12 ILE 107 1HD1 ILE 107 -2.231 12.368 -0.373 938 HD13 ILE 107 2HD1 ILE 107 -0.752 11.651 -1.025 939 H HIS 108 H HIS 108 -2.145 7.541 -3.032 940 HA HIS 108 HA HIS 108 -4.343 7.401 -4.806 941 HB2 HIS 108 2HB HIS 108 -2.051 7.856 -5.576 942 HB3 HIS 108 1HB HIS 108 -1.525 6.264 -5.037 943 HD1 HIS 108 HD1 HIS 108 -1.007 5.029 -7.111 944 HD2 HIS 108 HD2 HIS 108 -4.558 7.149 -7.459 945 HE1 HIS 108 HE1 HIS 108 -1.918 4.451 -9.370 946 HE2 HIS 108 HE2 HIS 108 -4.110 5.663 -9.516 947 H ALA 109 H ALA 109 -2.576 4.932 -2.957 948 HA ALA 109 HA ALA 109 -3.673 2.646 -4.229 949 HB1 ALA 109 3HB ALA 109 -1.565 2.535 -2.982 950 HB2 ALA 109 1HB ALA 109 -2.728 1.384 -2.320 951 HB3 ALA 109 2HB ALA 109 -2.410 2.902 -1.478 952 H ARG 110 H ARG 110 -4.598 4.482 -1.347 953 HA ARG 110 HA ARG 110 -6.729 2.798 -0.478 954 HB2 ARG 110 2HB ARG 110 -5.623 4.308 1.079 955 HB3 ARG 110 1HB ARG 110 -6.048 5.710 0.114 956 HG2 ARG 110 2HG ARG 110 -8.403 4.151 1.051 957 HG3 ARG 110 1HG ARG 110 -7.435 4.818 2.360 958 HD2 ARG 110 2HD ARG 110 -8.617 6.403 0.054 959 HD3 ARG 110 1HD ARG 110 -9.281 6.329 1.693 960 HE ARG 110 HE ARG 110 -6.864 7.191 2.268 961 HH11 ARG 110 1HH1 ARG 110 -8.931 8.294 -0.358 962 HH12 ARG 110 2HH1 ARG 110 -8.249 9.887 -0.379 963 HH21 ARG 110 1HH2 ARG 110 -5.969 9.259 2.204 964 HH22 ARG 110 2HH2 ARG 110 -6.564 10.433 1.077 965 H ALA 111 H ALA 111 -6.430 5.356 -2.838 966 HA ALA 111 HA ALA 111 -9.220 5.858 -3.240 967 HB1 ALA 111 3HB ALA 111 -6.871 6.384 -5.097 968 HB2 ALA 111 1HB ALA 111 -7.520 7.515 -3.906 969 HB3 ALA 111 2HB ALA 111 -8.504 7.031 -5.287 970 H LEU 112 H LEU 112 -6.743 3.774 -4.729 971 HA LEU 112 HA LEU 112 -8.267 2.769 -6.901 972 HB2 LEU 112 2HB LEU 112 -5.880 1.523 -5.472 973 HB3 LEU 112 1HB LEU 112 -6.511 0.975 -7.019 974 HG LEU 112 HG LEU 112 -5.328 3.735 -6.523 975 HD11 LEU 112 1HD1 LEU 112 -3.379 2.996 -7.766 976 HD12 LEU 112 2HD1 LEU 112 -4.056 1.374 -7.910 977 HD13 LEU 112 3HD1 LEU 112 -3.613 2.014 -6.324 978 HD21 LEU 112 3HD2 LEU 112 -6.126 2.418 -9.135 979 HD22 LEU 112 1HD2 LEU 112 -5.344 3.993 -8.951 980 HD23 LEU 112 2HD2 LEU 112 -6.973 3.743 -8.333 981 H VAL 113 H VAL 113 -7.669 1.450 -3.629 982 HA VAL 113 HA VAL 113 -9.165 -0.931 -3.825 983 HB VAL 113 HB VAL 113 -8.831 0.759 -1.294 984 HG11 VAL 113 1HG1 VAL 113 -9.113 -1.393 -0.075 985 HG12 VAL 113 2HG1 VAL 113 -9.404 -2.216 -1.607 986 HG13 VAL 113 3HG1 VAL 113 -10.541 -0.995 -1.034 987 HG21 VAL 113 3HG2 VAL 113 -6.826 -0.561 -0.773 988 HG22 VAL 113 1HG2 VAL 113 -6.628 0.276 -2.314 989 HG23 VAL 113 2HG2 VAL 113 -6.993 -1.447 -2.292 990 H ARG 114 H ARG 114 -10.064 2.394 -3.030 991 HA ARG 114 HA ARG 114 -12.713 1.818 -2.131 992 HB2 ARG 114 2HB ARG 114 -11.270 3.840 -1.465 993 HB3 ARG 114 1HB ARG 114 -11.669 4.532 -3.033 994 HG2 ARG 114 2HG ARG 114 -13.167 5.488 -1.407 995 HG3 ARG 114 1HG ARG 114 -14.110 4.378 -2.407 996 HD2 ARG 114 2HD ARG 114 -13.842 2.635 -0.617 997 HD3 ARG 114 1HD ARG 114 -13.030 3.840 0.383 998 HE ARG 114 HE ARG 114 -15.685 4.547 -0.551 999 HH11 ARG 114 1HH1 ARG 114 -13.823 3.131 2.077 1000 HH12 ARG 114 2HH1 ARG 114 -15.071 3.370 3.257 1001 HH21 ARG 114 1HH2 ARG 114 -17.326 4.829 1.004 1002 HH22 ARG 114 2HH2 ARG 114 -17.060 4.335 2.645 1003 H GLU 115 H GLU 115 -11.300 2.776 -5.251 1004 HA GLU 115 HA GLU 115 -13.780 3.303 -6.594 1005 HB2 GLU 115 2HB GLU 115 -11.067 2.562 -7.780 1006 HB3 GLU 115 1HB GLU 115 -12.438 3.166 -8.701 1007 HG2 GLU 115 2HG GLU 115 -10.910 4.694 -6.577 1008 HG3 GLU 115 1HG GLU 115 -10.744 4.902 -8.312 1009 H CYS 116 H CYS 116 -11.689 0.500 -6.131 1010 HA CYS 116 HA CYS 116 -13.127 -1.274 -7.858 1011 HB2 CYS 116 2HB CYS 116 -10.713 -1.565 -7.219 1012 HB3 CYS 116 1HB CYS 116 -11.233 -1.975 -5.591 1013 HG CYS 116 HG CYS 116 -12.965 -4.075 -6.919 1014 H LEU 117 H LEU 117 -13.438 -0.288 -4.479 1015 HA LEU 117 HA LEU 117 -15.070 -2.338 -3.493 1016 HB2 LEU 117 2HB LEU 117 -14.662 0.541 -2.763 1017 HB3 LEU 117 1HB LEU 117 -16.113 -0.212 -2.132 1018 HG LEU 117 HG LEU 117 -13.306 -1.299 -1.662 1019 HD11 LEU 117 1HD1 LEU 117 -15.018 0.350 0.216 1020 HD12 LEU 117 2HD1 LEU 117 -13.532 0.880 -0.574 1021 HD13 LEU 117 3HD1 LEU 117 -13.478 -0.420 0.615 1022 HD21 LEU 117 3HD2 LEU 117 -15.952 -2.033 -0.357 1023 HD22 LEU 117 1HD2 LEU 117 -14.361 -2.700 0.037 1024 HD23 LEU 117 2HD2 LEU 117 -15.076 -3.009 -1.542 1025 H ALA 118 H ALA 118 -15.870 0.355 -5.616 1026 HA ALA 118 HA ALA 118 -18.652 0.427 -5.412 1027 HB1 ALA 118 3HB ALA 118 -16.969 0.948 -7.889 1028 HB2 ALA 118 1HB ALA 118 -17.338 2.121 -6.620 1029 HB3 ALA 118 2HB ALA 118 -18.631 1.487 -7.638 1030 H GLU 119 H GLU 119 -16.653 -1.624 -7.580 1031 HA GLU 119 HA GLU 119 -18.957 -3.156 -8.493 1032 HB2 GLU 119 2HB GLU 119 -17.247 -4.411 -9.789 1033 HB3 GLU 119 1HB GLU 119 -17.161 -2.673 -10.055 1034 HG2 GLU 119 2HG GLU 119 -15.283 -2.642 -8.300 1035 HG3 GLU 119 1HG GLU 119 -15.270 -4.399 -8.431 1036 H THR 120 H THR 120 -16.351 -3.530 -6.118 1037 HA THR 120 HA THR 120 -16.355 -6.369 -5.944 1038 HB THR 120 HB THR 120 -15.299 -4.263 -4.006 1039 HG1 THR 120 HG1 THR 120 -14.007 -5.991 -5.867 1040 HG21 THR 120 3HG2 THR 120 -14.799 -7.259 -3.912 1041 HG22 THR 120 1HG2 THR 120 -15.719 -6.336 -2.719 1042 HG23 THR 120 2HG2 THR 120 -13.992 -6.051 -2.917 1043 H GLU 121 H GLU 121 -17.970 -3.836 -4.033 1044 HA GLU 121 HA GLU 121 -19.141 -5.386 -2.013 1045 HB2 GLU 121 2HB GLU 121 -20.099 -2.804 -3.315 1046 HB3 GLU 121 1HB GLU 121 -20.844 -3.498 -1.876 1047 HG2 GLU 121 2HG GLU 121 -18.810 -3.201 -0.593 1048 HG3 GLU 121 1HG GLU 121 -17.924 -2.695 -2.035 1049 H ARG 122 H ARG 122 -20.243 -4.723 -5.308 1050 HA ARG 122 HA ARG 122 -22.846 -5.925 -4.968 1051 HB2 ARG 122 2HB ARG 122 -21.329 -5.094 -7.468 1052 HB3 ARG 122 1HB ARG 122 -23.018 -5.591 -7.425 1053 HG2 ARG 122 2HG ARG 122 -23.501 -3.672 -5.899 1054 HG3 ARG 122 1HG ARG 122 -21.830 -3.134 -6.092 1055 HD2 ARG 122 2HD ARG 122 -23.286 -1.868 -7.564 1056 HD3 ARG 122 1HD ARG 122 -22.226 -2.901 -8.528 1057 HE ARG 122 HE ARG 122 -24.466 -4.406 -8.225 1058 HH11 ARG 122 1HH1 ARG 122 -23.949 -1.138 -9.427 1059 HH12 ARG 122 2HH1 ARG 122 -25.311 -1.197 -10.501 1060 HH21 ARG 122 1HH2 ARG 122 -26.229 -4.472 -9.650 1061 HH22 ARG 122 2HH2 ARG 122 -26.605 -3.088 -10.628 1062 H ASN 123 H ASN 123 -19.668 -6.950 -5.956 1063 HA ASN 123 HA ASN 123 -20.376 -9.437 -7.203 1064 HB2 ASN 123 2HB ASN 123 -18.223 -8.260 -7.668 1065 HB3 ASN 123 1HB ASN 123 -17.717 -8.510 -5.997 1066 HD21 ASN 123 1HD2 ASN 123 -15.982 -9.821 -6.344 1067 HD22 ASN 123 2HD2 ASN 123 -16.065 -11.361 -7.124 1068 H ALA 124 H ALA 124 -21.111 -11.178 -6.120 1069 HA ALA 124 HA ALA 124 -21.060 -11.395 -3.249 1070 HB1 ALA 124 3HB ALA 124 -22.024 -13.386 -5.339 1071 HB2 ALA 124 1HB ALA 124 -23.010 -12.151 -4.550 1072 HB3 ALA 124 2HB ALA 124 -22.335 -13.478 -3.603 1073 H ARG 125 H ARG 125 -18.839 -11.446 -2.778 1074 HA ARG 125 HA ARG 125 -16.899 -13.186 -3.873 1075 HB2 ARG 125 2HB ARG 125 -16.261 -11.125 -2.711 1076 HB3 ARG 125 1HB ARG 125 -16.963 -11.716 -1.208 1077 HG2 ARG 125 2HG ARG 125 -14.541 -11.904 -1.090 1078 HG3 ARG 125 1HG ARG 125 -15.239 -13.525 -1.135 1079 HD2 ARG 125 2HD ARG 125 -14.764 -13.512 -3.653 1080 HD3 ARG 125 1HD ARG 125 -13.844 -12.030 -3.378 1081 HE ARG 125 HE ARG 125 -13.171 -14.511 -1.938 1082 HH11 ARG 125 1HH1 ARG 125 -12.171 -11.965 -4.157 1083 HH12 ARG 125 2HH1 ARG 125 -10.515 -12.477 -4.173 1084 HH21 ARG 125 1HH2 ARG 125 -11.014 -15.191 -2.030 1085 HH22 ARG 125 2HH2 ARG 125 -9.866 -14.299 -2.974 1086 H THR 126 H THR 126 -19.012 -13.473 -1.079 1087 HA THR 126 HA THR 126 -19.532 -15.032 0.426 1088 HB THR 126 HB THR 126 -19.871 -17.364 -0.317 1089 HG1 THR 126 HG1 THR 126 -17.851 -17.319 -1.713 1090 HG21 THR 126 3HG2 THR 126 -21.377 -16.931 -2.222 1091 HG22 THR 126 1HG2 THR 126 -20.604 -15.372 -2.499 1092 HG23 THR 126 2HG2 THR 126 -21.519 -15.650 -1.012 Start of MODEL 15 1 H1 SER 58 1H SER 58 -24.093 -37.113 17.435 2 H2 SER 58 2H SER 58 -24.408 -37.719 15.896 3 H3 SER 58 3H SER 58 -25.668 -37.543 17.006 4 HA SER 58 HA SER 58 -25.710 -35.814 15.342 5 HB2 SER 58 2HB SER 58 -26.535 -35.356 17.656 6 HB3 SER 58 1HB SER 58 -24.923 -34.800 18.111 7 HG SER 58 HG SER 58 -26.677 -33.650 16.193 8 H HIS 59 H HIS 59 -24.672 -33.920 14.438 9 HA HIS 59 HA HIS 59 -21.718 -34.136 14.311 10 HB2 HIS 59 2HB HIS 59 -23.728 -32.887 12.367 11 HB3 HIS 59 1HB HIS 59 -21.981 -32.837 12.153 12 HD1 HIS 59 HD1 HIS 59 -20.969 -34.726 10.883 13 HD2 HIS 59 HD2 HIS 59 -24.773 -35.675 12.265 14 HE1 HIS 59 HE1 HIS 59 -21.546 -36.928 9.837 15 HE2 HIS 59 HE2 HIS 59 -23.769 -37.550 10.812 16 H MET 60 H MET 60 -20.423 -32.284 14.557 17 HA MET 60 HA MET 60 -21.433 -30.066 16.101 18 HB2 MET 60 2HB MET 60 -18.714 -30.475 14.764 19 HB3 MET 60 1HB MET 60 -19.099 -29.139 15.843 20 HG2 MET 60 2HG MET 60 -19.127 -32.060 16.625 21 HG3 MET 60 1HG MET 60 -17.821 -30.923 16.964 22 HE1 MET 60 3HE MET 60 -19.514 -31.569 20.494 23 HE2 MET 60 1HE MET 60 -18.004 -31.647 19.589 24 HE3 MET 60 2HE MET 60 -19.330 -32.742 19.190 25 H ALA 61 H ALA 61 -20.953 -27.786 15.377 26 HA ALA 61 HA ALA 61 -22.448 -27.161 13.056 27 HB1 ALA 61 3HB ALA 61 -21.925 -24.805 13.568 28 HB2 ALA 61 1HB ALA 61 -20.719 -25.319 14.751 29 HB3 ALA 61 2HB ALA 61 -22.426 -25.674 15.018 30 H MET 62 H MET 62 -21.623 -27.808 11.161 31 HA MET 62 HA MET 62 -18.816 -27.271 10.415 32 HB2 MET 62 2HB MET 62 -20.936 -29.090 9.194 33 HB3 MET 62 1HB MET 62 -19.347 -28.836 8.483 34 HG2 MET 62 2HG MET 62 -18.298 -29.768 10.501 35 HG3 MET 62 1HG MET 62 -19.893 -30.028 11.203 36 HE1 MET 62 3HE MET 62 -21.385 -32.834 8.965 37 HE2 MET 62 1HE MET 62 -21.670 -31.099 8.825 38 HE3 MET 62 2HE MET 62 -21.591 -31.860 10.418 39 H LYS 63 H LYS 63 -21.468 -25.512 10.310 40 HA LYS 63 HA LYS 63 -20.906 -24.327 7.651 41 HB2 LYS 63 2HB LYS 63 -23.532 -24.347 9.210 42 HB3 LYS 63 1HB LYS 63 -23.253 -23.455 7.719 43 HG2 LYS 63 2HG LYS 63 -22.917 -25.548 6.486 44 HG3 LYS 63 1HG LYS 63 -23.097 -26.479 7.968 45 HD2 LYS 63 2HD LYS 63 -25.318 -24.690 6.928 46 HD3 LYS 63 1HD LYS 63 -25.126 -26.349 6.370 47 HE2 LYS 63 2HE LYS 63 -26.787 -26.319 8.119 48 HE3 LYS 63 1HE LYS 63 -25.352 -27.124 8.746 49 HZ1 LYS 63 3HZ LYS 63 -26.173 -24.319 9.311 50 HZ2 LYS 63 1HZ LYS 63 -24.778 -25.064 9.908 51 HZ3 LYS 63 2HZ LYS 63 -26.300 -25.625 10.374 52 HA PRO 64 HA PRO 64 -19.464 -21.231 10.788 53 HB2 PRO 64 2HB PRO 64 -17.688 -20.328 8.563 54 HB3 PRO 64 1HB PRO 64 -17.248 -20.922 10.179 55 HG2 PRO 64 2HG PRO 64 -16.772 -22.379 7.967 56 HG3 PRO 64 1HG PRO 64 -17.209 -23.145 9.511 57 HD2 PRO 64 2HD PRO 64 -18.980 -22.552 7.131 58 HD3 PRO 64 1HD PRO 64 -18.846 -24.042 8.100 59 HA PRO 65 HA PRO 65 -22.023 -17.827 9.248 60 HB2 PRO 65 2HB PRO 65 -20.141 -16.018 10.771 61 HB3 PRO 65 1HB PRO 65 -21.911 -16.174 10.894 62 HG2 PRO 65 2HG PRO 65 -20.353 -17.171 12.802 63 HG3 PRO 65 1HG PRO 65 -21.791 -18.069 12.258 64 HD2 PRO 65 2HD PRO 65 -18.891 -18.532 11.532 65 HD3 PRO 65 1HD PRO 65 -20.155 -19.712 11.955 66 H GLY 66 H GLY 66 -21.955 -16.619 7.403 67 HA2 GLY 66 2HA GLY 66 -19.507 -16.409 5.870 68 HA3 GLY 66 1HA GLY 66 -21.111 -15.868 5.388 69 H ALA 67 H ALA 67 -20.691 -13.779 4.737 70 HA ALA 67 HA ALA 67 -19.935 -11.817 6.762 71 HB1 ALA 67 3HB ALA 67 -17.758 -12.472 5.782 72 HB2 ALA 67 1HB ALA 67 -18.154 -10.801 5.377 73 HB3 ALA 67 2HB ALA 67 -18.351 -12.077 4.170 74 H GLN 68 H GLN 68 -21.273 -10.135 6.573 75 HA GLN 68 HA GLN 68 -23.099 -9.829 4.386 76 HB2 GLN 68 2HB GLN 68 -23.463 -9.151 6.877 77 HB3 GLN 68 1HB GLN 68 -22.537 -7.704 6.515 78 HG2 GLN 68 2HG GLN 68 -25.080 -8.498 5.048 79 HG3 GLN 68 1HG GLN 68 -25.057 -7.432 6.446 80 HE21 GLN 68 1HE2 GLN 68 -25.875 -7.013 3.589 81 HE22 GLN 68 2HE2 GLN 68 -25.016 -5.603 3.088 82 H GLY 69 H GLY 69 -22.554 -8.986 2.496 83 HA2 GLY 69 2HA GLY 69 -21.747 -7.415 0.986 84 HA3 GLY 69 1HA GLY 69 -20.701 -6.734 2.221 85 H SER 70 H SER 70 -20.301 -7.772 -0.595 86 HA SER 70 HA SER 70 -18.462 -9.979 -0.392 87 HB2 SER 70 2HB SER 70 -18.868 -8.034 -2.698 88 HB3 SER 70 1HB SER 70 -18.159 -9.648 -2.784 89 HG SER 70 HG SER 70 -20.545 -9.200 -3.302 90 H GLN 71 H GLN 71 -18.278 -6.503 -0.256 91 HA GLN 71 HA GLN 71 -15.400 -6.304 -0.608 92 HB2 GLN 71 2HB GLN 71 -15.696 -3.928 -0.325 93 HB3 GLN 71 1HB GLN 71 -17.010 -4.512 -1.345 94 HG2 GLN 71 2HG GLN 71 -18.508 -4.520 0.673 95 HG3 GLN 71 1HG GLN 71 -17.191 -3.822 1.608 96 HE21 GLN 71 1HE2 GLN 71 -19.573 -3.226 -0.847 97 HE22 GLN 71 2HE2 GLN 71 -19.402 -1.508 -0.890 98 H SER 72 H SER 72 -16.536 -7.924 1.715 99 HA SER 72 HA SER 72 -16.417 -6.293 4.096 100 HB2 SER 72 2HB SER 72 -18.020 -8.192 3.890 101 HB3 SER 72 1HB SER 72 -16.673 -9.329 3.799 102 HG SER 72 HG SER 72 -16.725 -7.568 5.958 103 H THR 73 H THR 73 -14.554 -8.888 2.623 104 HA THR 73 HA THR 73 -12.358 -8.839 4.479 105 HB THR 73 HB THR 73 -12.566 -10.113 1.705 106 HG1 THR 73 HG1 THR 73 -13.655 -11.707 2.657 107 HG21 THR 73 3HG2 THR 73 -10.244 -10.095 2.584 108 HG22 THR 73 1HG2 THR 73 -10.904 -11.732 2.590 109 HG23 THR 73 2HG2 THR 73 -10.800 -10.821 4.096 110 H TYR 74 H TYR 74 -13.213 -7.194 1.532 111 HA TYR 74 HA TYR 74 -10.522 -6.544 0.697 112 HB2 TYR 74 2HB TYR 74 -12.364 -7.002 -0.911 113 HB3 TYR 74 1HB TYR 74 -13.218 -5.575 -0.336 114 HD1 TYR 74 HD1 TYR 74 -9.739 -6.392 -1.490 115 HD2 TYR 74 HD2 TYR 74 -13.077 -3.763 -1.840 116 HE1 TYR 74 HE1 TYR 74 -8.522 -5.058 -3.136 117 HE2 TYR 74 HE2 TYR 74 -11.851 -2.417 -3.483 118 HH TYR 74 HH TYR 74 -8.868 -3.482 -4.849 119 H THR 75 H THR 75 -12.983 -5.036 2.689 120 HA THR 75 HA THR 75 -12.030 -2.362 2.710 121 HB THR 75 HB THR 75 -13.370 -3.837 5.026 122 HG1 THR 75 HG1 THR 75 -14.941 -3.972 3.606 123 HG21 THR 75 3HG2 THR 75 -14.208 -1.602 5.672 124 HG22 THR 75 1HG2 THR 75 -13.331 -0.874 4.328 125 HG23 THR 75 2HG2 THR 75 -12.443 -1.617 5.661 126 H ASP 76 H ASP 76 -10.922 -5.313 4.242 127 HA ASP 76 HA ASP 76 -9.197 -4.328 6.221 128 HB2 ASP 76 2HB ASP 76 -9.788 -6.732 5.981 129 HB3 ASP 76 1HB ASP 76 -8.869 -6.812 4.483 130 H LEU 77 H LEU 77 -8.736 -4.781 2.716 131 HA LEU 77 HA LEU 77 -5.994 -4.093 2.592 132 HB2 LEU 77 2HB LEU 77 -7.123 -5.247 0.741 133 HB3 LEU 77 1HB LEU 77 -8.156 -3.852 0.456 134 HG LEU 77 HG LEU 77 -6.205 -2.514 -0.272 135 HD11 LEU 77 1HD1 LEU 77 -4.471 -3.474 1.140 136 HD12 LEU 77 2HD1 LEU 77 -3.983 -3.483 -0.551 137 HD13 LEU 77 3HD1 LEU 77 -4.519 -4.980 0.219 138 HD21 LEU 77 3HD2 LEU 77 -5.659 -3.691 -2.353 139 HD22 LEU 77 1HD2 LEU 77 -7.378 -3.778 -1.981 140 HD23 LEU 77 2HD2 LEU 77 -6.345 -5.180 -1.700 141 H LEU 78 H LEU 78 -8.955 -2.127 2.237 142 HA LEU 78 HA LEU 78 -7.815 0.365 1.690 143 HB2 LEU 78 2HB LEU 78 -10.281 -0.209 1.637 144 HB3 LEU 78 1HB LEU 78 -10.287 -0.141 3.390 145 HG LEU 78 HG LEU 78 -9.609 2.300 3.241 146 HD11 LEU 78 1HD1 LEU 78 -8.559 2.290 1.046 147 HD12 LEU 78 2HD1 LEU 78 -9.864 3.470 1.092 148 HD13 LEU 78 3HD1 LEU 78 -10.104 1.925 0.273 149 HD21 LEU 78 3HD2 LEU 78 -11.953 1.680 3.602 150 HD22 LEU 78 1HD2 LEU 78 -12.215 1.595 1.857 151 HD23 LEU 78 2HD2 LEU 78 -11.826 3.138 2.621 152 H SER 79 H SER 79 -8.319 -1.318 4.729 153 HA SER 79 HA SER 79 -7.434 0.693 6.503 154 HB2 SER 79 2HB SER 79 -8.803 -1.263 7.204 155 HB3 SER 79 1HB SER 79 -7.430 -2.327 6.899 156 HG SER 79 HG SER 79 -6.562 -0.376 8.468 157 H VAL 80 H VAL 80 -5.732 -2.075 4.917 158 HA VAL 80 HA VAL 80 -3.273 -1.914 6.236 159 HB VAL 80 HB VAL 80 -3.642 -2.711 3.293 160 HG11 VAL 80 1HG1 VAL 80 -1.401 -3.417 5.244 161 HG12 VAL 80 2HG1 VAL 80 -1.270 -2.320 3.866 162 HG13 VAL 80 3HG1 VAL 80 -1.568 -4.037 3.599 163 HG21 VAL 80 3HG2 VAL 80 -3.752 -5.054 4.102 164 HG22 VAL 80 1HG2 VAL 80 -5.094 -4.079 4.692 165 HG23 VAL 80 2HG2 VAL 80 -3.758 -4.469 5.769 166 H ILE 81 H ILE 81 -4.361 -0.312 3.242 167 HA ILE 81 HA ILE 81 -2.038 1.011 2.524 168 HB ILE 81 HB ILE 81 -4.832 2.164 2.134 169 HG12 ILE 81 2HG1 ILE 81 -4.878 -0.131 1.306 170 HG13 ILE 81 1HG1 ILE 81 -4.848 0.951 -0.072 171 HG21 ILE 81 1HG2 ILE 81 -3.839 3.201 0.108 172 HG22 ILE 81 2HG2 ILE 81 -2.262 2.544 0.548 173 HG23 ILE 81 3HG2 ILE 81 -3.039 3.741 1.586 174 HD11 ILE 81 3HD1 ILE 81 -3.463 -0.962 -0.480 175 HD12 ILE 81 1HD1 ILE 81 -2.539 -0.676 0.993 176 HD13 ILE 81 2HD1 ILE 81 -2.437 0.466 -0.350 177 H GLU 82 H GLU 82 -4.642 2.112 4.652 178 HA GLU 82 HA GLU 82 -3.624 4.710 5.169 179 HB2 GLU 82 2HB GLU 82 -6.023 3.875 5.416 180 HB3 GLU 82 1HB GLU 82 -5.538 3.080 6.899 181 HG2 GLU 82 2HG GLU 82 -5.296 6.067 6.475 182 HG3 GLU 82 1HG GLU 82 -6.749 5.322 7.123 183 H GLU 83 H GLU 83 -3.307 1.593 6.865 184 HA GLU 83 HA GLU 83 -2.017 2.530 9.214 185 HB2 GLU 83 2HB GLU 83 -1.932 -0.234 7.910 186 HB3 GLU 83 1HB GLU 83 -1.317 0.133 9.523 187 HG2 GLU 83 2HG GLU 83 -3.642 0.878 10.160 188 HG3 GLU 83 1HG GLU 83 -4.201 0.287 8.600 189 H MET 84 H MET 84 -0.730 1.258 6.141 190 HA MET 84 HA MET 84 2.001 1.483 6.705 191 HB2 MET 84 2HB MET 84 0.534 1.754 4.041 192 HB3 MET 84 1HB MET 84 2.284 1.621 4.202 193 HG2 MET 84 2HG MET 84 1.979 -0.576 5.308 194 HG3 MET 84 1HG MET 84 0.249 -0.459 4.996 195 HE1 MET 84 3HE MET 84 0.223 -0.542 1.032 196 HE2 MET 84 1HE MET 84 0.259 0.907 2.034 197 HE3 MET 84 2HE MET 84 -0.789 -0.447 2.472 198 H GLY 85 H GLY 85 -0.353 3.820 5.475 199 HA2 GLY 85 2HA GLY 85 1.296 6.007 4.943 200 HA3 GLY 85 1HA GLY 85 -0.391 6.097 5.403 201 H LYS 86 H LYS 86 0.412 4.683 8.025 202 HA LYS 86 HA LYS 86 1.117 7.063 9.550 203 HB2 LYS 86 2HB LYS 86 0.599 4.204 10.495 204 HB3 LYS 86 1HB LYS 86 0.776 5.618 11.531 205 HG2 LYS 86 2HG LYS 86 -1.279 6.604 10.439 206 HG3 LYS 86 1HG LYS 86 -1.470 5.079 9.561 207 HD2 LYS 86 2HD LYS 86 -2.917 5.074 11.538 208 HD3 LYS 86 1HD LYS 86 -1.648 3.861 11.725 209 HE2 LYS 86 2HE LYS 86 -0.366 5.517 13.131 210 HE3 LYS 86 1HE LYS 86 -1.749 6.606 13.033 211 HZ1 LYS 86 3HZ LYS 86 -1.771 3.880 14.214 212 HZ2 LYS 86 1HZ LYS 86 -3.101 4.925 14.126 213 HZ3 LYS 86 2HZ LYS 86 -1.762 5.335 15.073 214 H GLU 87 H GLU 87 2.518 3.870 8.729 215 HA GLU 87 HA GLU 87 4.728 4.137 10.544 216 HB2 GLU 87 2HB GLU 87 3.674 2.018 8.721 217 HB3 GLU 87 1HB GLU 87 5.417 1.975 8.974 218 HG2 GLU 87 2HG GLU 87 4.069 0.524 10.522 219 HG3 GLU 87 1HG GLU 87 5.174 1.639 11.318 220 H ILE 88 H ILE 88 4.232 5.454 7.492 221 HA ILE 88 HA ILE 88 6.809 5.338 6.325 222 HB ILE 88 HB ILE 88 4.719 7.566 6.125 223 HG12 ILE 88 2HG1 ILE 88 5.222 5.187 4.276 224 HG13 ILE 88 1HG1 ILE 88 3.907 5.303 5.434 225 HG21 ILE 88 1HG2 ILE 88 6.914 8.392 5.375 226 HG22 ILE 88 2HG2 ILE 88 5.832 8.198 3.997 227 HG23 ILE 88 3HG2 ILE 88 7.094 7.002 4.302 228 HD11 ILE 88 3HD1 ILE 88 4.313 7.059 3.030 229 HD12 ILE 88 1HD1 ILE 88 3.017 7.233 4.216 230 HD13 ILE 88 2HD1 ILE 88 3.119 5.779 3.228 231 H ARG 89 H ARG 89 5.407 7.547 8.736 232 HA ARG 89 HA ARG 89 7.536 9.421 8.762 233 HB2 ARG 89 2HB ARG 89 5.288 10.046 9.490 234 HB3 ARG 89 1HB ARG 89 5.376 8.917 10.837 235 HG2 ARG 89 2HG ARG 89 7.217 10.259 11.831 236 HG3 ARG 89 1HG ARG 89 7.094 11.402 10.492 237 HD2 ARG 89 2HD ARG 89 4.806 11.979 11.155 238 HD3 ARG 89 1HD ARG 89 4.854 10.782 12.456 239 HE ARG 89 HE ARG 89 6.977 12.410 13.000 240 HH11 ARG 89 1HH1 ARG 89 3.547 13.034 12.490 241 HH12 ARG 89 2HH1 ARG 89 3.520 14.420 13.530 242 HH21 ARG 89 1HH2 ARG 89 6.915 14.230 14.383 243 HH22 ARG 89 2HH2 ARG 89 5.423 15.095 14.598 244 HA PRO 90 HA PRO 90 9.282 7.190 12.748 245 HB2 PRO 90 2HB PRO 90 8.558 4.557 13.198 246 HB3 PRO 90 1HB PRO 90 7.728 5.942 13.931 247 HG2 PRO 90 2HG PRO 90 6.946 4.380 11.489 248 HG3 PRO 90 1HG PRO 90 5.934 4.911 12.854 249 HD2 PRO 90 2HD PRO 90 5.942 6.264 10.538 250 HD3 PRO 90 1HD PRO 90 5.823 7.118 12.092 251 H THR 91 H THR 91 8.574 5.097 9.929 252 HA THR 91 HA THR 91 11.025 3.755 9.641 253 HB THR 91 HB THR 91 9.071 4.810 7.549 254 HG1 THR 91 HG1 THR 91 8.072 3.017 8.002 255 HG21 THR 91 3HG2 THR 91 11.207 4.542 6.374 256 HG22 THR 91 1HG2 THR 91 10.125 3.216 5.931 257 HG23 THR 91 2HG2 THR 91 11.432 2.946 7.087 258 H TYR 92 H TYR 92 9.996 6.869 8.330 259 HA TYR 92 HA TYR 92 12.359 7.697 7.092 260 HB2 TYR 92 2HB TYR 92 10.155 8.736 6.642 261 HB3 TYR 92 1HB TYR 92 10.081 9.355 8.291 262 HD1 TYR 92 HD2 TYR 92 12.355 9.444 5.314 263 HD2 TYR 92 HD1 TYR 92 10.718 11.615 8.596 264 HE1 TYR 92 HE2 TYR 92 13.576 11.420 4.597 265 HE2 TYR 92 HE1 TYR 92 11.946 13.622 7.876 266 HH TYR 92 HH TYR 92 14.025 14.099 6.568 267 H ALA 93 H ALA 93 11.288 7.833 10.429 268 HA ALA 93 HA ALA 93 13.224 9.787 11.318 269 HB1 ALA 93 3HB ALA 93 11.291 8.057 12.894 270 HB2 ALA 93 1HB ALA 93 10.962 9.677 12.280 271 HB3 ALA 93 2HB ALA 93 12.194 9.441 13.521 272 H GLY 94 H GLY 94 13.652 6.618 10.470 273 HA2 GLY 94 2HA GLY 94 15.735 5.561 10.679 274 HA3 GLY 94 1HA GLY 94 16.017 6.357 12.217 275 H SER 95 H SER 95 12.940 5.252 12.528 276 HA SER 95 HA SER 95 13.705 3.018 14.170 277 HB2 SER 95 2HB SER 95 10.888 3.809 13.325 278 HB3 SER 95 1HB SER 95 11.354 2.861 14.739 279 HG SER 95 HG SER 95 11.549 5.609 14.272 280 H LYS 96 H LYS 96 14.581 1.355 12.975 281 HA LYS 96 HA LYS 96 13.532 0.430 10.497 282 HB2 LYS 96 2HB LYS 96 15.126 -1.422 10.626 283 HB3 LYS 96 1HB LYS 96 15.887 0.123 10.971 284 HG2 LYS 96 2HG LYS 96 15.919 -0.390 13.366 285 HG3 LYS 96 1HG LYS 96 15.088 -1.920 13.065 286 HD2 LYS 96 2HD LYS 96 16.990 -2.738 11.740 287 HD3 LYS 96 1HD LYS 96 17.820 -1.188 11.918 288 HE2 LYS 96 2HE LYS 96 17.135 -3.085 14.191 289 HE3 LYS 96 1HE LYS 96 18.723 -2.911 13.441 290 HZ1 LYS 96 3HZ LYS 96 18.628 -1.642 15.459 291 HZ2 LYS 96 1HZ LYS 96 17.250 -0.818 14.942 292 HZ3 LYS 96 2HZ LYS 96 18.722 -0.575 14.155 293 H SER 97 H SER 97 12.729 -0.369 13.769 294 HA SER 97 HA SER 97 11.456 -2.862 13.400 295 HB2 SER 97 2HB SER 97 10.148 -2.209 15.465 296 HB3 SER 97 1HB SER 97 11.891 -2.002 15.646 297 HG SER 97 HG SER 97 10.040 -0.200 16.032 298 H ALA 98 H ALA 98 10.218 0.475 13.232 299 HA ALA 98 HA ALA 98 7.578 -0.172 12.338 300 HB1 ALA 98 3HB ALA 98 9.084 2.462 12.213 301 HB2 ALA 98 1HB ALA 98 8.078 1.894 13.546 302 HB3 ALA 98 2HB ALA 98 7.344 2.243 11.982 303 H MET 99 H MET 99 10.634 0.524 10.747 304 HA MET 99 HA MET 99 9.713 0.877 8.108 305 HB2 MET 99 2HB MET 99 11.974 1.522 8.822 306 HB3 MET 99 1HB MET 99 12.392 -0.156 9.131 307 HG2 MET 99 2HG MET 99 11.600 0.752 6.363 308 HG3 MET 99 1HG MET 99 13.242 0.966 6.957 309 HE1 MET 99 3HE MET 99 14.866 -1.016 7.582 310 HE2 MET 99 1HE MET 99 14.413 -2.720 7.500 311 HE3 MET 99 2HE MET 99 13.693 -1.676 8.726 312 H GLU 100 H GLU 100 10.606 -1.989 9.970 313 HA GLU 100 HA GLU 100 10.243 -3.885 7.860 314 HB2 GLU 100 2HB GLU 100 11.666 -4.310 9.857 315 HB3 GLU 100 1HB GLU 100 10.238 -4.290 10.887 316 HG2 GLU 100 2HG GLU 100 10.990 -6.584 10.454 317 HG3 GLU 100 1HG GLU 100 9.387 -6.309 9.787 318 H ARG 101 H ARG 101 8.140 -2.459 10.331 319 HA ARG 101 HA ARG 101 5.859 -4.128 9.922 320 HB2 ARG 101 2HB ARG 101 6.218 -2.718 11.959 321 HB3 ARG 101 1HB ARG 101 6.041 -1.268 10.982 322 HG2 ARG 101 2HG ARG 101 4.000 -1.708 12.250 323 HG3 ARG 101 1HG ARG 101 3.685 -1.863 10.520 324 HD2 ARG 101 2HD ARG 101 2.567 -3.642 11.783 325 HD3 ARG 101 1HD ARG 101 3.799 -4.320 10.716 326 HE ARG 101 HE ARG 101 4.958 -3.904 13.238 327 HH11 ARG 101 1HH1 ARG 101 2.488 -5.973 11.818 328 HH12 ARG 101 2HH1 ARG 101 2.740 -7.257 12.959 329 HH21 ARG 101 1HH2 ARG 101 5.284 -5.605 14.723 330 HH22 ARG 101 2HH2 ARG 101 4.323 -7.047 14.603 331 H LEU 102 H LEU 102 7.087 -1.183 8.447 332 HA LEU 102 HA LEU 102 4.818 -0.520 6.853 333 HB2 LEU 102 2HB LEU 102 6.565 1.108 7.531 334 HB3 LEU 102 1HB LEU 102 7.758 0.247 6.570 335 HG LEU 102 HG LEU 102 6.590 0.896 4.491 336 HD11 LEU 102 1HD1 LEU 102 4.714 2.469 4.509 337 HD12 LEU 102 2HD1 LEU 102 4.626 2.354 6.269 338 HD13 LEU 102 3HD1 LEU 102 4.291 0.937 5.271 339 HD21 LEU 102 3HD2 LEU 102 7.023 3.315 4.557 340 HD22 LEU 102 1HD2 LEU 102 8.310 2.401 5.338 341 HD23 LEU 102 2HD2 LEU 102 7.118 3.259 6.318 342 H LYS 103 H LYS 103 7.852 -2.295 6.255 343 HA LYS 103 HA LYS 103 7.520 -3.053 3.585 344 HB2 LYS 103 2HB LYS 103 8.820 -4.598 5.876 345 HB3 LYS 103 1HB LYS 103 8.984 -5.026 4.175 346 HG2 LYS 103 2HG LYS 103 10.203 -2.992 3.705 347 HG3 LYS 103 1HG LYS 103 9.882 -2.369 5.321 348 HD2 LYS 103 2HD LYS 103 12.166 -3.196 5.229 349 HD3 LYS 103 1HD LYS 103 11.217 -4.239 6.288 350 HE2 LYS 103 2HE LYS 103 12.680 -5.582 4.888 351 HE3 LYS 103 1HE LYS 103 11.004 -5.875 4.428 352 HZ1 LYS 103 3HZ LYS 103 12.438 -5.609 2.494 353 HZ2 LYS 103 1HZ LYS 103 12.891 -4.071 3.021 354 HZ3 LYS 103 2HZ LYS 103 11.297 -4.365 2.566 355 H ARG 104 H ARG 104 6.535 -4.706 6.584 356 HA ARG 104 HA ARG 104 5.326 -6.978 5.447 357 HB2 ARG 104 2HB ARG 104 6.032 -6.812 7.806 358 HB3 ARG 104 1HB ARG 104 4.818 -5.578 8.115 359 HG2 ARG 104 2HG ARG 104 3.033 -7.232 7.695 360 HG3 ARG 104 1HG ARG 104 4.250 -8.468 7.367 361 HD2 ARG 104 2HD ARG 104 5.032 -8.399 9.663 362 HD3 ARG 104 1HD ARG 104 4.013 -6.994 10.018 363 HE ARG 104 HE ARG 104 2.319 -9.009 9.121 364 HH11 ARG 104 1HH1 ARG 104 4.460 -8.525 11.881 365 HH12 ARG 104 2HH1 ARG 104 3.509 -9.527 12.931 366 HH21 ARG 104 1HH2 ARG 104 1.088 -10.297 10.513 367 HH22 ARG 104 2HH2 ARG 104 1.603 -10.527 12.158 368 H GLY 105 H GLY 105 4.120 -3.733 6.139 369 HA2 GLY 105 2HA GLY 105 1.407 -3.997 5.607 370 HA3 GLY 105 1HA GLY 105 2.379 -2.573 5.270 371 H ILE 106 H ILE 106 4.097 -3.400 3.309 372 HA ILE 106 HA ILE 106 2.480 -3.435 0.994 373 HB ILE 106 HB ILE 106 5.434 -3.503 1.504 374 HG12 ILE 106 2HG1 ILE 106 5.393 -1.649 -0.204 375 HG13 ILE 106 1HG1 ILE 106 3.664 -1.869 -0.360 376 HG21 ILE 106 1HG2 ILE 106 4.369 -4.314 -1.218 377 HG22 ILE 106 2HG2 ILE 106 5.328 -5.321 -0.132 378 HG23 ILE 106 3HG2 ILE 106 6.045 -3.884 -0.862 379 HD11 ILE 106 3HD1 ILE 106 3.357 -1.138 1.905 380 HD12 ILE 106 1HD1 ILE 106 4.295 0.042 1.001 381 HD13 ILE 106 2HD1 ILE 106 5.096 -1.038 2.141 382 H ILE 107 H ILE 107 4.222 -6.100 2.666 383 HA ILE 107 HA ILE 107 3.709 -8.081 0.686 384 HB ILE 107 HB ILE 107 4.303 -8.357 3.666 385 HG12 ILE 107 2HG1 ILE 107 6.412 -9.468 2.809 386 HG13 ILE 107 1HG1 ILE 107 5.906 -9.100 1.166 387 HG21 ILE 107 1HG2 ILE 107 3.819 -10.647 1.712 388 HG22 ILE 107 2HG2 ILE 107 2.834 -10.247 3.121 389 HG23 ILE 107 3HG2 ILE 107 4.483 -10.824 3.339 390 HD11 ILE 107 3HD1 ILE 107 7.610 -7.586 1.956 391 HD12 ILE 107 1HD1 ILE 107 6.587 -7.108 3.311 392 HD13 ILE 107 2HD1 ILE 107 6.102 -6.721 1.657 393 H HIS 108 H HIS 108 1.852 -7.001 3.508 394 HA HIS 108 HA HIS 108 -0.235 -8.926 3.391 395 HB2 HIS 108 2HB HIS 108 0.296 -7.527 5.408 396 HB3 HIS 108 1HB HIS 108 -0.318 -6.110 4.572 397 HD1 HIS 108 HD1 HIS 108 -1.804 -6.154 6.881 398 HD2 HIS 108 HD2 HIS 108 -2.752 -8.986 3.998 399 HE1 HIS 108 HE1 HIS 108 -4.113 -6.943 7.438 400 HE2 HIS 108 HE2 HIS 108 -4.739 -8.473 5.558 401 H ALA 109 H ALA 109 0.054 -5.600 2.174 402 HA ALA 109 HA ALA 109 -2.525 -5.369 1.046 403 HB1 ALA 109 3HB ALA 109 -1.139 -3.420 1.599 404 HB2 ALA 109 1HB ALA 109 -1.607 -3.387 -0.100 405 HB3 ALA 109 2HB ALA 109 0.030 -3.871 0.357 406 H ARG 110 H ARG 110 0.568 -6.478 -0.214 407 HA ARG 110 HA ARG 110 -0.059 -6.704 -2.975 408 HB2 ARG 110 2HB ARG 110 2.264 -6.727 -2.001 409 HB3 ARG 110 1HB ARG 110 1.938 -8.306 -1.297 410 HG2 ARG 110 2HG ARG 110 3.251 -8.647 -3.265 411 HG3 ARG 110 1HG ARG 110 1.616 -9.199 -3.637 412 HD2 ARG 110 2HD ARG 110 1.176 -7.075 -4.831 413 HD3 ARG 110 1HD ARG 110 2.811 -6.518 -4.442 414 HE ARG 110 HE ARG 110 2.870 -9.033 -5.783 415 HH11 ARG 110 1HH1 ARG 110 2.437 -5.604 -6.389 416 HH12 ARG 110 2HH1 ARG 110 2.982 -5.704 -8.028 417 HH21 ARG 110 1HH2 ARG 110 3.563 -9.152 -7.931 418 HH22 ARG 110 2HH2 ARG 110 3.621 -7.719 -8.906 419 H ALA 111 H ALA 111 -0.280 -8.891 -0.214 420 HA ALA 111 HA ALA 111 -1.033 -11.259 -1.589 421 HB1 ALA 111 3HB ALA 111 -1.446 -10.496 1.322 422 HB2 ALA 111 1HB ALA 111 -0.026 -11.301 0.653 423 HB3 ALA 111 2HB ALA 111 -1.586 -12.127 0.653 424 H LEU 112 H LEU 112 -2.814 -8.533 -0.267 425 HA LEU 112 HA LEU 112 -5.403 -9.806 -0.432 426 HB2 LEU 112 2HB LEU 112 -4.631 -6.891 0.001 427 HB3 LEU 112 1HB LEU 112 -6.281 -7.502 0.074 428 HG LEU 112 HG LEU 112 -4.016 -8.351 1.923 429 HD11 LEU 112 1HD1 LEU 112 -6.428 -6.626 2.518 430 HD12 LEU 112 2HD1 LEU 112 -4.761 -6.067 2.362 431 HD13 LEU 112 3HD1 LEU 112 -5.202 -7.153 3.678 432 HD21 LEU 112 3HD2 LEU 112 -5.576 -10.205 1.575 433 HD22 LEU 112 1HD2 LEU 112 -6.944 -9.164 1.985 434 HD23 LEU 112 2HD2 LEU 112 -5.732 -9.562 3.205 435 H VAL 113 H VAL 113 -3.608 -7.476 -2.515 436 HA VAL 113 HA VAL 113 -5.817 -7.052 -4.296 437 HB VAL 113 HB VAL 113 -2.884 -6.654 -5.055 438 HG11 VAL 113 1HG1 VAL 113 -3.822 -4.957 -6.623 439 HG12 VAL 113 2HG1 VAL 113 -5.455 -5.391 -6.113 440 HG13 VAL 113 3HG1 VAL 113 -4.447 -6.575 -6.951 441 HG21 VAL 113 3HG2 VAL 113 -3.080 -4.321 -4.305 442 HG22 VAL 113 1HG2 VAL 113 -3.334 -5.431 -2.960 443 HG23 VAL 113 2HG2 VAL 113 -4.711 -4.632 -3.707 444 H ARG 114 H ARG 114 -3.030 -9.307 -4.303 445 HA ARG 114 HA ARG 114 -3.355 -10.264 -6.944 446 HB2 ARG 114 2HB ARG 114 -1.822 -12.097 -6.355 447 HB3 ARG 114 1HB ARG 114 -1.237 -10.556 -5.748 448 HG2 ARG 114 2HG ARG 114 -0.795 -11.869 -3.920 449 HG3 ARG 114 1HG ARG 114 -2.415 -11.334 -3.508 450 HD2 ARG 114 2HD ARG 114 -3.057 -13.629 -4.803 451 HD3 ARG 114 1HD ARG 114 -1.429 -14.057 -4.264 452 HE ARG 114 HE ARG 114 -3.404 -13.032 -2.337 453 HH11 ARG 114 1HH1 ARG 114 -1.437 -15.752 -3.408 454 HH12 ARG 114 2HH1 ARG 114 -1.741 -16.666 -1.968 455 HH21 ARG 114 1HH2 ARG 114 -3.797 -14.245 -0.501 456 HH22 ARG 114 2HH2 ARG 114 -3.075 -15.816 -0.323 457 H GLU 115 H GLU 115 -4.736 -11.390 -3.886 458 HA GLU 115 HA GLU 115 -6.177 -13.590 -5.121 459 HB2 GLU 115 2HB GLU 115 -7.158 -13.992 -2.928 460 HB3 GLU 115 1HB GLU 115 -5.418 -13.763 -2.791 461 HG2 GLU 115 2HG GLU 115 -5.818 -11.418 -2.035 462 HG3 GLU 115 1HG GLU 115 -7.553 -11.729 -2.107 463 H CYS 116 H CYS 116 -6.849 -10.237 -4.394 464 HA CYS 116 HA CYS 116 -9.677 -10.417 -4.914 465 HB2 CYS 116 2HB CYS 116 -7.819 -8.052 -4.606 466 HB3 CYS 116 1HB CYS 116 -9.521 -7.867 -5.039 467 HG CYS 116 HG CYS 116 -10.585 -8.659 -2.733 468 H LEU 117 H LEU 117 -6.834 -10.163 -6.927 469 HA LEU 117 HA LEU 117 -7.939 -9.236 -9.341 470 HB2 LEU 117 2HB LEU 117 -5.822 -11.370 -8.843 471 HB3 LEU 117 1HB LEU 117 -6.227 -10.801 -10.455 472 HG LEU 117 HG LEU 117 -5.147 -8.990 -8.256 473 HD11 LEU 117 1HD1 LEU 117 -3.616 -10.227 -10.562 474 HD12 LEU 117 2HD1 LEU 117 -3.482 -10.698 -8.868 475 HD13 LEU 117 3HD1 LEU 117 -2.989 -9.086 -9.370 476 HD21 LEU 117 3HD2 LEU 117 -4.756 -7.380 -10.047 477 HD22 LEU 117 1HD2 LEU 117 -6.462 -7.819 -9.984 478 HD23 LEU 117 2HD2 LEU 117 -5.426 -8.498 -11.238 479 H ALA 118 H ALA 118 -8.316 -12.263 -7.632 480 HA ALA 118 HA ALA 118 -9.397 -13.865 -9.683 481 HB1 ALA 118 3HB ALA 118 -8.499 -14.781 -7.583 482 HB2 ALA 118 1HB ALA 118 -10.146 -15.338 -7.882 483 HB3 ALA 118 2HB ALA 118 -9.844 -14.066 -6.695 484 H GLU 119 H GLU 119 -11.225 -12.353 -6.917 485 HA GLU 119 HA GLU 119 -13.760 -12.764 -7.877 486 HB2 GLU 119 2HB GLU 119 -14.396 -10.762 -6.394 487 HB3 GLU 119 1HB GLU 119 -13.543 -12.089 -5.617 488 HG2 GLU 119 2HG GLU 119 -11.684 -10.855 -5.189 489 HG3 GLU 119 1HG GLU 119 -11.791 -9.941 -6.682 490 H THR 120 H THR 120 -11.562 -10.166 -8.841 491 HA THR 120 HA THR 120 -13.418 -8.233 -9.655 492 HB THR 120 HB THR 120 -10.669 -8.605 -10.905 493 HG1 THR 120 HG1 THR 120 -11.423 -7.499 -8.414 494 HG21 THR 120 3HG2 THR 120 -12.041 -6.825 -11.971 495 HG22 THR 120 1HG2 THR 120 -10.663 -6.144 -11.098 496 HG23 THR 120 2HG2 THR 120 -12.282 -6.070 -10.393 497 H GLU 121 H GLU 121 -12.557 -11.202 -11.230 498 HA GLU 121 HA GLU 121 -12.890 -10.657 -13.923 499 HB2 GLU 121 2HB GLU 121 -13.348 -13.085 -14.221 500 HB3 GLU 121 1HB GLU 121 -11.961 -12.755 -13.199 501 HG2 GLU 121 2HG GLU 121 -13.029 -14.547 -12.145 502 HG3 GLU 121 1HG GLU 121 -13.508 -13.144 -11.196 503 H ARG 122 H ARG 122 -15.404 -10.921 -11.489 504 HA ARG 122 HA ARG 122 -17.627 -11.404 -13.182 505 HB2 ARG 122 2HB ARG 122 -17.659 -11.850 -10.767 506 HB3 ARG 122 1HB ARG 122 -17.404 -10.145 -10.416 507 HG2 ARG 122 2HG ARG 122 -19.728 -10.760 -10.020 508 HG3 ARG 122 1HG ARG 122 -19.626 -9.615 -11.358 509 HD2 ARG 122 2HD ARG 122 -19.930 -11.421 -12.975 510 HD3 ARG 122 1HD ARG 122 -19.912 -12.631 -11.688 511 HE ARG 122 HE ARG 122 -22.083 -10.789 -12.379 512 HH11 ARG 122 1HH1 ARG 122 -20.883 -13.234 -10.143 513 HH12 ARG 122 2HH1 ARG 122 -22.448 -13.549 -9.470 514 HH21 ARG 122 1HH2 ARG 122 -24.126 -11.237 -11.481 515 HH22 ARG 122 2HH2 ARG 122 -24.278 -12.424 -10.223 516 H ASN 123 H ASN 123 -15.966 -8.490 -12.123 517 HA ASN 123 HA ASN 123 -17.889 -6.571 -12.969 518 HB2 ASN 123 2HB ASN 123 -16.123 -6.023 -11.320 519 HB3 ASN 123 1HB ASN 123 -14.876 -6.268 -12.543 520 HD21 ASN 123 1HD2 ASN 123 -14.117 -4.170 -12.334 521 HD22 ASN 123 2HD2 ASN 123 -14.995 -2.798 -12.899 522 H ALA 124 H ALA 124 -18.561 -6.803 -15.057 523 HA ALA 124 HA ALA 124 -17.017 -7.416 -17.329 524 HB1 ALA 124 3HB ALA 124 -19.629 -5.859 -17.174 525 HB2 ALA 124 1HB ALA 124 -19.469 -7.611 -17.308 526 HB3 ALA 124 2HB ALA 124 -18.945 -6.576 -18.637 527 H ARG 125 H ARG 125 -15.541 -6.204 -18.382 528 HA ARG 125 HA ARG 125 -14.900 -3.560 -17.419 529 HB2 ARG 125 2HB ARG 125 -13.140 -5.289 -17.887 530 HB3 ARG 125 1HB ARG 125 -13.529 -5.192 -19.603 531 HG2 ARG 125 2HG ARG 125 -11.557 -3.860 -19.183 532 HG3 ARG 125 1HG ARG 125 -12.883 -2.765 -19.571 533 HD2 ARG 125 2HD ARG 125 -13.201 -2.353 -17.130 534 HD3 ARG 125 1HD ARG 125 -11.802 -3.378 -16.793 535 HE ARG 125 HE ARG 125 -10.526 -1.722 -18.214 536 HH11 ARG 125 1HH1 ARG 125 -13.366 -0.727 -16.365 537 HH12 ARG 125 2HH1 ARG 125 -12.836 0.920 -16.210 538 HH21 ARG 125 1HH2 ARG 125 -9.849 0.440 -18.011 539 HH22 ARG 125 2HH2 ARG 125 -10.838 1.575 -17.150 540 H THR 126 H THR 126 -16.770 -2.516 -18.110 541 HA THR 126 HA THR 126 -16.638 -1.150 -20.574 542 HB THR 126 HB THR 126 -17.553 -3.134 -21.594 543 HG1 THR 126 HG1 THR 126 -18.483 -1.049 -22.161 544 HG21 THR 126 3HG2 THR 126 -19.700 -4.172 -20.933 545 HG22 THR 126 1HG2 THR 126 -19.776 -3.097 -19.534 546 HG23 THR 126 2HG2 THR 126 -18.490 -4.296 -19.653 547 H1 SER 58 1H SER 58 -8.126 -19.513 -0.321 548 H2 SER 58 2H SER 58 -7.862 -18.255 0.776 549 H3 SER 58 3H SER 58 -6.655 -18.695 -0.318 550 HA SER 58 HA SER 58 -9.277 -17.574 -1.055 551 HB2 SER 58 2HB SER 58 -6.528 -16.250 -1.057 552 HB3 SER 58 1HB SER 58 -8.047 -15.486 -1.543 553 HG SER 58 HG SER 58 -8.067 -14.898 0.488 554 H HIS 59 H HIS 59 -9.338 -16.927 -3.329 555 HA HIS 59 HA HIS 59 -7.808 -18.699 -5.136 556 HB2 HIS 59 2HB HIS 59 -10.289 -16.977 -5.648 557 HB3 HIS 59 1HB HIS 59 -9.522 -18.037 -6.833 558 HD1 HIS 59 HD1 HIS 59 -9.984 -20.559 -6.639 559 HD2 HIS 59 HD2 HIS 59 -11.736 -18.346 -3.616 560 HE1 HIS 59 HE1 HIS 59 -11.584 -22.115 -5.507 561 HE2 HIS 59 HE2 HIS 59 -12.772 -20.692 -3.825 562 H MET 60 H MET 60 -6.866 -17.782 -7.068 563 HA MET 60 HA MET 60 -6.106 -14.910 -6.943 564 HB2 MET 60 2HB MET 60 -4.204 -17.264 -7.404 565 HB3 MET 60 1HB MET 60 -3.764 -15.567 -7.563 566 HG2 MET 60 2HG MET 60 -4.121 -15.210 -5.186 567 HG3 MET 60 1HG MET 60 -4.696 -16.866 -4.997 568 HE1 MET 60 3HE MET 60 -1.462 -18.976 -5.527 569 HE2 MET 60 1HE MET 60 -2.747 -18.650 -6.689 570 HE3 MET 60 2HE MET 60 -3.144 -19.003 -5.003 571 H ALA 61 H ALA 61 -5.786 -17.888 -8.900 572 HA ALA 61 HA ALA 61 -6.688 -16.446 -11.330 573 HB1 ALA 61 3HB ALA 61 -5.025 -17.697 -12.652 574 HB2 ALA 61 1HB ALA 61 -4.387 -18.437 -11.182 575 HB3 ALA 61 2HB ALA 61 -4.231 -16.698 -11.436 576 H MET 62 H MET 62 -8.730 -17.320 -11.369 577 HA MET 62 HA MET 62 -9.028 -20.277 -11.417 578 HB2 MET 62 2HB MET 62 -11.230 -18.163 -11.238 579 HB3 MET 62 1HB MET 62 -11.437 -19.910 -11.119 580 HG2 MET 62 2HG MET 62 -10.006 -18.116 -9.153 581 HG3 MET 62 1HG MET 62 -11.516 -18.985 -8.898 582 HE1 MET 62 3HE MET 62 -11.665 -21.645 -8.581 583 HE2 MET 62 1HE MET 62 -10.273 -22.720 -8.692 584 HE3 MET 62 2HE MET 62 -10.875 -21.907 -10.138 585 H LYS 63 H LYS 63 -9.319 -17.385 -13.336 586 HA LYS 63 HA LYS 63 -9.058 -18.988 -15.745 587 HB2 LYS 63 2HB LYS 63 -11.529 -18.598 -15.545 588 HB3 LYS 63 1HB LYS 63 -11.239 -16.863 -15.493 589 HG2 LYS 63 2HG LYS 63 -10.222 -17.021 -17.792 590 HG3 LYS 63 1HG LYS 63 -10.691 -18.720 -17.845 591 HD2 LYS 63 2HD LYS 63 -12.627 -16.400 -17.496 592 HD3 LYS 63 1HD LYS 63 -12.286 -17.196 -19.028 593 HE2 LYS 63 2HE LYS 63 -13.488 -18.545 -16.591 594 HE3 LYS 63 1HE LYS 63 -14.389 -17.993 -18.003 595 HZ1 LYS 63 3HZ LYS 63 -13.159 -19.553 -19.361 596 HZ2 LYS 63 1HZ LYS 63 -13.920 -20.365 -18.094 597 HZ3 LYS 63 2HZ LYS 63 -12.263 -20.063 -18.030 598 HA PRO 64 HA PRO 64 -6.185 -15.307 -15.425 599 HB2 PRO 64 2HB PRO 64 -4.011 -16.610 -16.547 600 HB3 PRO 64 1HB PRO 64 -4.400 -16.664 -14.819 601 HG2 PRO 64 2HG PRO 64 -4.987 -18.693 -16.945 602 HG3 PRO 64 1HG PRO 64 -4.406 -18.939 -15.281 603 HD2 PRO 64 2HD PRO 64 -7.010 -19.315 -15.941 604 HD3 PRO 64 1HD PRO 64 -6.522 -18.690 -14.351 605 HA PRO 65 HA PRO 65 -7.294 -14.671 -19.856 606 HB2 PRO 65 2HB PRO 65 -8.021 -12.091 -19.715 607 HB3 PRO 65 1HB PRO 65 -8.999 -13.328 -18.895 608 HG2 PRO 65 2HG PRO 65 -6.976 -11.444 -17.722 609 HG3 PRO 65 1HG PRO 65 -8.576 -11.905 -17.098 610 HD2 PRO 65 2HD PRO 65 -6.161 -13.045 -16.270 611 HD3 PRO 65 1HD PRO 65 -7.761 -13.793 -16.073 612 H GLY 66 H GLY 66 -6.725 -12.524 -21.334 613 HA2 GLY 66 2HA GLY 66 -3.835 -12.317 -21.491 614 HA3 GLY 66 1HA GLY 66 -5.014 -11.533 -22.537 615 H ALA 67 H ALA 67 -4.101 -9.486 -22.481 616 HA ALA 67 HA ALA 67 -3.228 -8.060 -20.200 617 HB1 ALA 67 3HB ALA 67 -2.594 -7.437 -22.503 618 HB2 ALA 67 1HB ALA 67 -3.311 -6.068 -21.655 619 HB3 ALA 67 2HB ALA 67 -4.255 -6.963 -22.852 620 H GLN 68 H GLN 68 -6.309 -8.129 -21.934 621 HA GLN 68 HA GLN 68 -7.693 -6.571 -19.838 622 HB2 GLN 68 2HB GLN 68 -8.637 -7.583 -22.572 623 HB3 GLN 68 1HB GLN 68 -9.613 -6.643 -21.454 624 HG2 GLN 68 2HG GLN 68 -7.049 -5.663 -22.723 625 HG3 GLN 68 1HG GLN 68 -8.666 -5.311 -23.330 626 HE21 GLN 68 1HE2 GLN 68 -6.571 -3.492 -22.374 627 HE22 GLN 68 2HE2 GLN 68 -7.284 -2.568 -21.104 628 H GLY 69 H GLY 69 -9.085 -7.551 -18.450 629 HA2 GLY 69 2HA GLY 69 -10.729 -9.753 -18.919 630 HA3 GLY 69 1HA GLY 69 -9.289 -10.357 -18.107 631 H SER 70 H SER 70 -11.237 -7.434 -17.842 632 HA SER 70 HA SER 70 -12.537 -6.489 -16.273 633 HB2 SER 70 2HB SER 70 -12.144 -8.995 -14.614 634 HB3 SER 70 1HB SER 70 -13.337 -7.728 -14.321 635 HG SER 70 HG SER 70 -14.552 -8.511 -15.840 636 H GLN 71 H GLN 71 -9.599 -7.988 -14.993 637 HA GLN 71 HA GLN 71 -9.252 -5.800 -13.037 638 HB2 GLN 71 2HB GLN 71 -7.429 -7.494 -12.131 639 HB3 GLN 71 1HB GLN 71 -9.118 -7.736 -11.752 640 HG2 GLN 71 2HG GLN 71 -8.182 -9.861 -12.253 641 HG3 GLN 71 1HG GLN 71 -9.244 -9.423 -13.586 642 HE21 GLN 71 1HE2 GLN 71 -5.923 -8.235 -13.095 643 HE22 GLN 71 2HE2 GLN 71 -5.276 -8.996 -14.501 644 H SER 72 H SER 72 -8.780 -5.175 -15.685 645 HA SER 72 HA SER 72 -6.037 -5.705 -16.481 646 HB2 SER 72 2HB SER 72 -6.609 -4.189 -18.430 647 HB3 SER 72 1HB SER 72 -7.703 -5.561 -18.249 648 HG SER 72 HG SER 72 -8.633 -3.365 -18.600 649 H THR 73 H THR 73 -7.919 -2.784 -15.733 650 HA THR 73 HA THR 73 -5.635 -1.099 -15.255 651 HB THR 73 HB THR 73 -8.646 -0.741 -14.905 652 HG1 THR 73 HG1 THR 73 -6.741 -0.008 -16.881 653 HG21 THR 73 3HG2 THR 73 -7.542 0.761 -13.297 654 HG22 THR 73 1HG2 THR 73 -8.229 1.686 -14.636 655 HG23 THR 73 2HG2 THR 73 -6.491 1.388 -14.572 656 H TYR 74 H TYR 74 -7.636 -3.254 -13.388 657 HA TYR 74 HA TYR 74 -7.179 -2.164 -10.795 658 HB2 TYR 74 2HB TYR 74 -9.079 -3.662 -11.317 659 HB3 TYR 74 1HB TYR 74 -7.965 -4.983 -11.640 660 HD1 TYR 74 HD1 TYR 74 -8.777 -2.553 -8.898 661 HD2 TYR 74 HD2 TYR 74 -7.653 -6.540 -9.915 662 HE1 TYR 74 HE1 TYR 74 -8.880 -3.194 -6.532 663 HE2 TYR 74 HE2 TYR 74 -7.745 -7.184 -7.547 664 HH TYR 74 HH TYR 74 -9.246 -5.478 -5.255 665 H THR 75 H THR 75 -5.333 -4.268 -12.893 666 HA THR 75 HA THR 75 -3.421 -5.333 -11.137 667 HB THR 75 HB THR 75 -2.907 -4.397 -14.000 668 HG1 THR 75 HG1 THR 75 -4.412 -5.841 -14.394 669 HG21 THR 75 3HG2 THR 75 -0.827 -5.031 -12.792 670 HG22 THR 75 1HG2 THR 75 -1.206 -6.183 -14.080 671 HG23 THR 75 2HG2 THR 75 -1.541 -6.595 -12.398 672 H ASP 76 H ASP 76 -3.872 -2.007 -12.189 673 HA ASP 76 HA ASP 76 -1.327 -0.917 -11.743 674 HB2 ASP 76 2HB ASP 76 -3.228 0.335 -12.814 675 HB3 ASP 76 1HB ASP 76 -4.010 0.460 -11.244 676 H LEU 77 H LEU 77 -4.093 -1.385 -9.514 677 HA LEU 77 HA LEU 77 -3.040 -0.212 -7.202 678 HB2 LEU 77 2HB LEU 77 -5.394 -0.823 -7.345 679 HB3 LEU 77 1HB LEU 77 -5.000 -2.528 -7.522 680 HG LEU 77 HG LEU 77 -4.195 -2.603 -5.171 681 HD11 LEU 77 1HD1 LEU 77 -3.364 -0.322 -4.913 682 HD12 LEU 77 2HD1 LEU 77 -4.499 -0.726 -3.629 683 HD13 LEU 77 3HD1 LEU 77 -5.012 0.305 -4.964 684 HD21 LEU 77 3HD2 LEU 77 -6.355 -2.355 -4.037 685 HD22 LEU 77 1HD2 LEU 77 -6.538 -3.134 -5.609 686 HD23 LEU 77 2HD2 LEU 77 -6.982 -1.436 -5.406 687 H LEU 78 H LEU 78 -2.851 -3.574 -8.322 688 HA LEU 78 HA LEU 78 -1.347 -4.773 -6.317 689 HB2 LEU 78 2HB LEU 78 -2.432 -5.924 -8.256 690 HB3 LEU 78 1HB LEU 78 -1.206 -5.254 -9.317 691 HG LEU 78 HG LEU 78 0.530 -6.569 -7.988 692 HD11 LEU 78 1HD1 LEU 78 -0.709 -6.923 -5.925 693 HD12 LEU 78 2HD1 LEU 78 -0.247 -8.470 -6.630 694 HD13 LEU 78 3HD1 LEU 78 -1.912 -7.898 -6.776 695 HD21 LEU 78 3HD2 LEU 78 -0.237 -7.334 -10.175 696 HD22 LEU 78 1HD2 LEU 78 -1.606 -8.165 -9.431 697 HD23 LEU 78 2HD2 LEU 78 0.043 -8.706 -9.106 698 H SER 79 H SER 79 -0.304 -2.930 -9.138 699 HA SER 79 HA SER 79 2.499 -3.309 -8.820 700 HB2 SER 79 2HB SER 79 1.443 -2.891 -11.019 701 HB3 SER 79 1HB SER 79 0.969 -1.270 -10.500 702 HG SER 79 HG SER 79 3.660 -2.173 -10.513 703 H VAL 80 H VAL 80 0.196 -0.773 -7.779 704 HA VAL 80 HA VAL 80 2.028 1.252 -7.043 705 HB VAL 80 HB VAL 80 -0.704 0.644 -5.771 706 HG11 VAL 80 1HG1 VAL 80 0.956 3.205 -5.628 707 HG12 VAL 80 2HG1 VAL 80 0.642 2.095 -4.289 708 HG13 VAL 80 3HG1 VAL 80 -0.684 3.009 -5.006 709 HG21 VAL 80 3HG2 VAL 80 0.008 2.601 -7.985 710 HG22 VAL 80 1HG2 VAL 80 -1.585 2.413 -7.250 711 HG23 VAL 80 2HG2 VAL 80 -0.881 1.096 -8.182 712 H ILE 81 H ILE 81 0.615 -1.452 -5.241 713 HA ILE 81 HA ILE 81 1.754 -1.089 -2.733 714 HB ILE 81 HB ILE 81 1.302 -3.791 -4.081 715 HG12 ILE 81 2HG1 ILE 81 -0.779 -2.570 -4.268 716 HG13 ILE 81 1HG1 ILE 81 -0.978 -3.742 -2.980 717 HG21 ILE 81 1HG2 ILE 81 0.972 -4.625 -1.774 718 HG22 ILE 81 2HG2 ILE 81 1.378 -3.031 -1.140 719 HG23 ILE 81 3HG2 ILE 81 2.591 -3.967 -2.015 720 HD11 ILE 81 3HD1 ILE 81 -2.031 -1.663 -2.404 721 HD12 ILE 81 1HD1 ILE 81 -0.534 -0.772 -2.665 722 HD13 ILE 81 2HD1 ILE 81 -0.658 -1.924 -1.331 723 H GLU 82 H GLU 82 3.030 -2.740 -5.574 724 HA GLU 82 HA GLU 82 5.396 -3.771 -4.409 725 HB2 GLU 82 2HB GLU 82 4.274 -4.663 -6.456 726 HB3 GLU 82 1HB GLU 82 4.673 -3.187 -7.322 727 HG2 GLU 82 2HG GLU 82 6.157 -4.958 -8.009 728 HG3 GLU 82 1HG GLU 82 7.068 -3.737 -7.127 729 H GLU 83 H GLU 83 4.623 -0.772 -6.119 730 HA GLU 83 HA GLU 83 7.318 0.132 -6.440 731 HB2 GLU 83 2HB GLU 83 4.690 1.690 -6.546 732 HB3 GLU 83 1HB GLU 83 6.258 2.336 -7.017 733 HG2 GLU 83 2HG GLU 83 4.669 0.158 -8.375 734 HG3 GLU 83 1HG GLU 83 5.148 1.718 -9.024 735 H MET 84 H MET 84 4.794 0.732 -3.994 736 HA MET 84 HA MET 84 6.154 2.689 -2.485 737 HB2 MET 84 2HB MET 84 4.034 0.667 -1.643 738 HB3 MET 84 1HB MET 84 4.606 1.974 -0.613 739 HG2 MET 84 2HG MET 84 3.827 3.603 -2.318 740 HG3 MET 84 1HG MET 84 3.143 2.264 -3.238 741 HE1 MET 84 3HE MET 84 2.072 0.384 -0.776 742 HE2 MET 84 1HE MET 84 1.148 0.680 -2.252 743 HE3 MET 84 2HE MET 84 0.407 0.956 -0.677 744 H GLY 85 H GLY 85 6.107 -0.854 -2.368 745 HA2 GLY 85 2HA GLY 85 7.593 -1.346 -0.055 746 HA3 GLY 85 1HA GLY 85 7.488 -2.414 -1.437 747 H LYS 86 H LYS 86 8.674 -0.111 -3.067 748 HA LYS 86 HA LYS 86 11.472 -0.877 -2.718 749 HB2 LYS 86 2HB LYS 86 10.101 0.832 -4.854 750 HB3 LYS 86 1HB LYS 86 11.774 0.269 -4.907 751 HG2 LYS 86 2HG LYS 86 11.060 -2.050 -5.074 752 HG3 LYS 86 1HG LYS 86 9.372 -1.591 -4.830 753 HD2 LYS 86 2HD LYS 86 9.428 -0.318 -6.970 754 HD3 LYS 86 1HD LYS 86 11.097 -0.840 -7.223 755 HE2 LYS 86 2HE LYS 86 10.345 -3.193 -7.292 756 HE3 LYS 86 1HE LYS 86 8.678 -2.670 -7.031 757 HZ1 LYS 86 3HZ LYS 86 9.191 -3.106 -9.366 758 HZ2 LYS 86 1HZ LYS 86 10.347 -1.877 -9.355 759 HZ3 LYS 86 2HZ LYS 86 8.716 -1.507 -9.112 760 H GLU 87 H GLU 87 9.324 1.920 -2.439 761 HA GLU 87 HA GLU 87 11.413 3.878 -2.174 762 HB2 GLU 87 2HB GLU 87 8.421 4.133 -1.619 763 HB3 GLU 87 1HB GLU 87 9.565 5.469 -1.702 764 HG2 GLU 87 2HG GLU 87 8.690 3.661 -3.953 765 HG3 GLU 87 1HG GLU 87 8.385 5.389 -3.782 766 H ILE 88 H ILE 88 10.051 1.669 0.005 767 HA ILE 88 HA ILE 88 9.962 3.121 2.429 768 HB ILE 88 HB ILE 88 10.504 0.140 2.003 769 HG12 ILE 88 2HG1 ILE 88 7.882 1.589 2.607 770 HG13 ILE 88 1HG1 ILE 88 8.345 0.933 1.042 771 HG21 ILE 88 1HG2 ILE 88 9.752 -0.185 4.343 772 HG22 ILE 88 2HG2 ILE 88 9.636 1.562 4.551 773 HG23 ILE 88 3HG2 ILE 88 11.207 0.813 4.267 774 HD11 ILE 88 3HD1 ILE 88 7.849 -0.651 3.551 775 HD12 ILE 88 1HD1 ILE 88 8.364 -1.321 2.000 776 HD13 ILE 88 2HD1 ILE 88 6.801 -0.526 2.143 777 H ARG 89 H ARG 89 12.608 1.400 0.792 778 HA ARG 89 HA ARG 89 14.441 1.472 2.944 779 HB2 ARG 89 2HB ARG 89 14.638 -0.151 1.077 780 HB3 ARG 89 1HB ARG 89 15.071 1.160 -0.020 781 HG2 ARG 89 2HG ARG 89 17.074 1.624 1.425 782 HG3 ARG 89 1HG ARG 89 16.658 0.206 2.381 783 HD2 ARG 89 2HD ARG 89 16.965 -1.232 0.400 784 HD3 ARG 89 1HD ARG 89 17.360 0.193 -0.571 785 HE ARG 89 HE ARG 89 19.048 0.056 1.699 786 HH11 ARG 89 1HH1 ARG 89 18.621 -1.470 -1.444 787 HH12 ARG 89 2HH1 ARG 89 20.290 -1.931 -1.571 788 HH21 ARG 89 1HH2 ARG 89 21.199 -0.608 1.552 789 HH22 ARG 89 2HH2 ARG 89 21.756 -1.442 0.134 790 HA PRO 90 HA PRO 90 16.439 5.478 0.967 791 HB2 PRO 90 2HB PRO 90 14.894 6.947 -0.815 792 HB3 PRO 90 1HB PRO 90 16.116 5.758 -1.302 793 HG2 PRO 90 2HG PRO 90 13.146 5.410 -1.092 794 HG3 PRO 90 1HG PRO 90 14.256 4.856 -2.365 795 HD2 PRO 90 2HD PRO 90 13.354 3.178 -0.461 796 HD3 PRO 90 1HD PRO 90 15.001 3.035 -1.114 797 H THR 91 H THR 91 12.865 5.489 1.387 798 HA THR 91 HA THR 91 12.514 7.908 2.754 799 HB THR 91 HB THR 91 11.147 5.209 3.120 800 HG1 THR 91 HG1 THR 91 10.107 5.870 1.425 801 HG21 THR 91 3HG2 THR 91 9.294 6.408 4.282 802 HG22 THR 91 1HG2 THR 91 10.279 7.869 4.323 803 HG23 THR 91 2HG2 THR 91 10.788 6.437 5.222 804 H TYR 92 H TYR 92 13.301 4.713 4.044 805 HA TYR 92 HA TYR 92 13.708 5.357 6.726 806 HB2 TYR 92 2HB TYR 92 13.394 3.045 5.980 807 HB3 TYR 92 1HB TYR 92 14.872 3.105 5.021 808 HD1 TYR 92 HD2 TYR 92 13.644 3.429 8.542 809 HD2 TYR 92 HD1 TYR 92 16.896 2.361 6.007 810 HE1 TYR 92 HE2 TYR 92 14.909 2.693 10.485 811 HE2 TYR 92 HE1 TYR 92 18.182 1.609 7.957 812 HH TYR 92 HH TYR 92 18.247 2.049 10.380 813 H ALA 93 H ALA 93 15.831 5.606 3.915 814 HA ALA 93 HA ALA 93 18.277 5.941 5.433 815 HB1 ALA 93 3HB ALA 93 19.330 6.190 3.234 816 HB2 ALA 93 1HB ALA 93 17.741 6.292 2.460 817 HB3 ALA 93 2HB ALA 93 18.247 4.801 3.253 818 H GLY 94 H GLY 94 15.753 7.995 5.125 819 HA2 GLY 94 2HA GLY 94 15.789 10.135 6.071 820 HA3 GLY 94 1HA GLY 94 17.472 10.334 5.617 821 H SER 95 H SER 95 16.017 9.147 2.896 822 HA SER 95 HA SER 95 15.973 11.677 1.558 823 HB2 SER 95 2HB SER 95 16.626 9.589 0.377 824 HB3 SER 95 1HB SER 95 14.992 8.961 0.571 825 HG SER 95 HG SER 95 15.254 11.465 -0.621 826 H LYS 96 H LYS 96 14.446 13.010 2.391 827 HA LYS 96 HA LYS 96 11.747 12.416 2.927 828 HB2 LYS 96 2HB LYS 96 11.402 14.854 3.011 829 HB3 LYS 96 1HB LYS 96 12.852 14.370 3.880 830 HG2 LYS 96 2HG LYS 96 14.251 15.091 1.977 831 HG3 LYS 96 1HG LYS 96 12.797 15.599 1.106 832 HD2 LYS 96 2HD LYS 96 12.307 17.194 3.017 833 HD3 LYS 96 1HD LYS 96 13.874 16.761 3.708 834 HE2 LYS 96 2HE LYS 96 15.021 17.634 1.734 835 HE3 LYS 96 1HE LYS 96 13.474 17.978 0.957 836 HZ1 LYS 96 3HZ LYS 96 14.394 19.964 1.920 837 HZ2 LYS 96 1HZ LYS 96 14.494 19.232 3.434 838 HZ3 LYS 96 2HZ LYS 96 12.988 19.540 2.752 839 H SER 97 H SER 97 13.366 13.126 -0.055 840 HA SER 97 HA SER 97 11.121 13.853 -1.628 841 HB2 SER 97 2HB SER 97 12.622 13.253 -3.565 842 HB3 SER 97 1HB SER 97 13.370 14.355 -2.410 843 HG SER 97 HG SER 97 14.251 11.994 -3.225 844 H ALA 98 H ALA 98 12.806 10.729 -1.142 845 HA ALA 98 HA ALA 98 10.962 9.121 -2.599 846 HB1 ALA 98 3HB ALA 98 12.909 8.328 -0.415 847 HB2 ALA 98 1HB ALA 98 13.259 8.425 -2.141 848 HB3 ALA 98 2HB ALA 98 12.107 7.230 -1.546 849 H MET 99 H MET 99 11.142 10.168 0.762 850 HA MET 99 HA MET 99 9.149 8.525 1.894 851 HB2 MET 99 2HB MET 99 10.762 9.740 3.269 852 HB3 MET 99 1HB MET 99 10.175 11.288 2.687 853 HG2 MET 99 2HG MET 99 8.411 9.405 4.271 854 HG3 MET 99 1HG MET 99 9.482 10.565 5.049 855 HE1 MET 99 3HE MET 99 9.225 13.052 2.925 856 HE2 MET 99 1HE MET 99 9.272 13.218 4.684 857 HE3 MET 99 2HE MET 99 7.973 13.976 3.758 858 H GLU 100 H GLU 100 9.038 11.727 0.411 859 HA GLU 100 HA GLU 100 6.277 12.265 0.764 860 HB2 GLU 100 2HB GLU 100 8.010 13.984 0.312 861 HB3 GLU 100 1HB GLU 100 8.253 13.335 -1.306 862 HG2 GLU 100 2HG GLU 100 5.926 13.975 -1.889 863 HG3 GLU 100 1HG GLU 100 5.711 14.638 -0.269 864 H ARG 101 H ARG 101 8.134 10.629 -1.767 865 HA ARG 101 HA ARG 101 5.993 10.207 -3.621 866 HB2 ARG 101 2HB ARG 101 8.234 10.015 -4.476 867 HB3 ARG 101 1HB ARG 101 8.694 8.860 -3.229 868 HG2 ARG 101 2HG ARG 101 7.407 7.106 -4.247 869 HG3 ARG 101 1HG ARG 101 6.617 8.233 -5.348 870 HD2 ARG 101 2HD ARG 101 8.720 8.597 -6.533 871 HD3 ARG 101 1HD ARG 101 9.577 7.564 -5.382 872 HE ARG 101 HE ARG 101 8.084 5.716 -6.203 873 HH11 ARG 101 1HH1 ARG 101 8.936 8.412 -8.309 874 HH12 ARG 101 2HH1 ARG 101 8.710 7.497 -9.765 875 HH21 ARG 101 1HH2 ARG 101 7.765 4.541 -8.121 876 HH22 ARG 101 2HH2 ARG 101 8.044 5.299 -9.657 877 H LEU 102 H LEU 102 7.334 8.341 -0.926 878 HA LEU 102 HA LEU 102 5.884 5.950 -1.250 879 HB2 LEU 102 2HB LEU 102 7.915 6.157 0.129 880 HB3 LEU 102 1HB LEU 102 7.081 7.232 1.238 881 HG LEU 102 HG LEU 102 5.627 5.387 1.989 882 HD11 LEU 102 1HD1 LEU 102 6.005 3.077 1.282 883 HD12 LEU 102 2HD1 LEU 102 7.170 3.621 0.073 884 HD13 LEU 102 3HD1 LEU 102 5.470 4.083 -0.062 885 HD21 LEU 102 3HD2 LEU 102 7.315 4.039 3.143 886 HD22 LEU 102 1HD2 LEU 102 7.731 5.751 3.168 887 HD23 LEU 102 2HD2 LEU 102 8.568 4.654 2.063 888 H LYS 103 H LYS 103 5.219 8.891 0.657 889 HA LYS 103 HA LYS 103 2.756 8.186 1.792 890 HB2 LYS 103 2HB LYS 103 3.783 10.926 0.939 891 HB3 LYS 103 1HB LYS 103 2.358 10.662 1.942 892 HG2 LYS 103 2HG LYS 103 3.764 9.630 3.687 893 HG3 LYS 103 1HG LYS 103 5.195 9.886 2.682 894 HD2 LYS 103 2HD LYS 103 5.019 11.646 4.391 895 HD3 LYS 103 1HD LYS 103 4.839 12.330 2.776 896 HE2 LYS 103 2HE LYS 103 2.369 12.351 3.094 897 HE3 LYS 103 1HE LYS 103 2.592 11.728 4.730 898 HZ1 LYS 103 3HZ LYS 103 3.621 14.318 3.706 899 HZ2 LYS 103 1HZ LYS 103 3.842 13.718 5.271 900 HZ3 LYS 103 2HZ LYS 103 2.292 14.111 4.728 901 H ARG 104 H ARG 104 3.513 9.831 -1.282 902 HA ARG 104 HA ARG 104 0.920 10.305 -2.208 903 HB2 ARG 104 2HB ARG 104 2.938 11.298 -3.230 904 HB3 ARG 104 1HB ARG 104 3.454 9.714 -3.802 905 HG2 ARG 104 2HG ARG 104 1.384 9.621 -5.222 906 HG3 ARG 104 1HG ARG 104 1.010 11.265 -4.709 907 HD2 ARG 104 2HD ARG 104 3.049 12.097 -5.776 908 HD3 ARG 104 1HD ARG 104 3.535 10.447 -6.187 909 HE ARG 104 HE ARG 104 1.032 11.610 -7.247 910 HH11 ARG 104 1HH1 ARG 104 4.141 10.102 -7.877 911 HH12 ARG 104 2HH1 ARG 104 3.835 9.911 -9.576 912 HH21 ARG 104 1HH2 ARG 104 0.650 11.352 -9.480 913 HH22 ARG 104 2HH2 ARG 104 1.872 10.615 -10.477 914 H GLY 105 H GLY 105 2.945 7.417 -2.365 915 HA2 GLY 105 2HA GLY 105 1.408 5.806 -4.075 916 HA3 GLY 105 1HA GLY 105 2.503 5.233 -2.827 917 H ILE 106 H ILE 106 1.155 6.382 -0.566 918 HA ILE 106 HA ILE 106 -0.952 4.515 -0.132 919 HB ILE 106 HB ILE 106 0.229 6.764 1.496 920 HG12 ILE 106 2HG1 ILE 106 0.471 4.943 3.208 921 HG13 ILE 106 1HG1 ILE 106 -0.313 3.823 2.111 922 HG21 ILE 106 1HG2 ILE 106 -2.412 5.472 2.273 923 HG22 ILE 106 2HG2 ILE 106 -2.157 7.174 1.880 924 HG23 ILE 106 3HG2 ILE 106 -1.423 6.487 3.328 925 HD11 ILE 106 3HD1 ILE 106 2.079 3.516 2.178 926 HD12 ILE 106 1HD1 ILE 106 2.329 5.187 1.680 927 HD13 ILE 106 2HD1 ILE 106 1.571 4.043 0.574 928 H ILE 107 H ILE 107 -0.948 8.021 -0.887 929 HA ILE 107 HA ILE 107 -3.748 8.442 -0.851 930 HB ILE 107 HB ILE 107 -1.475 9.862 -2.294 931 HG12 ILE 107 2HG1 ILE 107 -2.196 11.800 -0.839 932 HG13 ILE 107 1HG1 ILE 107 -3.430 10.769 -0.122 933 HG21 ILE 107 1HG2 ILE 107 -4.410 10.598 -2.605 934 HG22 ILE 107 2HG2 ILE 107 -3.326 10.040 -3.882 935 HG23 ILE 107 3HG2 ILE 107 -3.052 11.605 -3.116 936 HD11 ILE 107 3HD1 ILE 107 -1.489 11.018 1.311 937 HD12 ILE 107 1HD1 ILE 107 -0.453 10.353 0.047 938 HD13 ILE 107 2HD1 ILE 107 -1.687 9.339 0.806 939 H HIS 108 H HIS 108 -1.582 7.164 -3.296 940 HA HIS 108 HA HIS 108 -3.345 7.114 -5.510 941 HB2 HIS 108 2HB HIS 108 -0.802 7.012 -5.587 942 HB3 HIS 108 1HB HIS 108 -0.899 5.346 -5.035 943 HD1 HIS 108 HD1 HIS 108 0.492 5.789 -7.582 944 HD2 HIS 108 HD2 HIS 108 -3.618 5.237 -7.475 945 HE1 HIS 108 HE1 HIS 108 -0.145 5.050 -9.881 946 HE2 HIS 108 HE2 HIS 108 -2.567 4.468 -9.699 947 H ALA 109 H ALA 109 -2.228 4.579 -3.260 948 HA ALA 109 HA ALA 109 -3.724 2.468 -4.431 949 HB1 ALA 109 3HB ALA 109 -2.953 1.142 -2.511 950 HB2 ALA 109 1HB ALA 109 -2.384 2.609 -1.703 951 HB3 ALA 109 2HB ALA 109 -1.632 2.076 -3.208 952 H ARG 110 H ARG 110 -4.329 4.659 -1.709 953 HA ARG 110 HA ARG 110 -6.443 3.223 -0.470 954 HB2 ARG 110 2HB ARG 110 -5.005 5.171 0.462 955 HB3 ARG 110 1HB ARG 110 -6.101 6.263 -0.366 956 HG2 ARG 110 2HG ARG 110 -7.106 4.229 1.637 957 HG3 ARG 110 1HG ARG 110 -6.466 5.783 2.155 958 HD2 ARG 110 2HD ARG 110 -8.216 6.958 0.914 959 HD3 ARG 110 1HD ARG 110 -8.819 5.428 0.262 960 HE ARG 110 HE ARG 110 -8.772 5.373 3.092 961 HH11 ARG 110 1HH1 ARG 110 -10.681 6.699 0.445 962 HH12 ARG 110 2HH1 ARG 110 -12.140 6.755 1.386 963 HH21 ARG 110 1HH2 ARG 110 -10.668 5.417 4.283 964 HH22 ARG 110 2HH2 ARG 110 -12.128 6.024 3.563 965 H ALA 111 H ALA 111 -6.391 5.776 -2.930 966 HA ALA 111 HA ALA 111 -9.207 6.137 -3.133 967 HB1 ALA 111 3HB ALA 111 -7.037 6.780 -5.150 968 HB2 ALA 111 1HB ALA 111 -7.610 7.851 -3.870 969 HB3 ALA 111 2HB ALA 111 -8.694 7.389 -5.183 970 H LEU 112 H LEU 112 -6.876 4.001 -4.681 971 HA LEU 112 HA LEU 112 -8.555 2.972 -6.739 972 HB2 LEU 112 2HB LEU 112 -6.063 1.809 -5.428 973 HB3 LEU 112 1HB LEU 112 -6.856 1.082 -6.821 974 HG LEU 112 HG LEU 112 -5.583 3.851 -6.775 975 HD11 LEU 112 1HD1 LEU 112 -4.611 1.300 -8.094 976 HD12 LEU 112 2HD1 LEU 112 -3.905 2.074 -6.673 977 HD13 LEU 112 3HD1 LEU 112 -3.864 2.895 -8.230 978 HD21 LEU 112 3HD2 LEU 112 -7.494 3.757 -8.317 979 HD22 LEU 112 1HD2 LEU 112 -6.801 2.335 -9.107 980 HD23 LEU 112 2HD2 LEU 112 -5.971 3.891 -9.189 981 H VAL 113 H VAL 113 -7.696 1.710 -3.481 982 HA VAL 113 HA VAL 113 -9.304 -0.620 -3.610 983 HB VAL 113 HB VAL 113 -8.538 0.903 -1.065 984 HG11 VAL 113 1HG1 VAL 113 -8.765 -1.306 0.048 985 HG12 VAL 113 2HG1 VAL 113 -9.314 -2.018 -1.467 986 HG13 VAL 113 3HG1 VAL 113 -10.289 -0.780 -0.671 987 HG21 VAL 113 3HG2 VAL 113 -6.562 -0.559 -0.925 988 HG22 VAL 113 1HG2 VAL 113 -6.529 0.394 -2.408 989 HG23 VAL 113 2HG2 VAL 113 -6.986 -1.305 -2.469 990 H ARG 114 H ARG 114 -9.956 2.692 -2.529 991 HA ARG 114 HA ARG 114 -12.437 2.277 -1.265 992 HB2 ARG 114 2HB ARG 114 -11.075 4.312 -0.909 993 HB3 ARG 114 1HB ARG 114 -11.369 4.813 -2.571 994 HG2 ARG 114 2HG ARG 114 -12.802 6.071 -1.025 995 HG3 ARG 114 1HG ARG 114 -13.781 5.054 -2.084 996 HD2 ARG 114 2HD ARG 114 -13.784 3.333 -0.157 997 HD3 ARG 114 1HD ARG 114 -13.152 4.629 0.856 998 HE ARG 114 HE ARG 114 -15.216 5.679 0.802 999 HH11 ARG 114 1HH1 ARG 114 -15.273 2.906 -1.385 1000 HH12 ARG 114 2HH1 ARG 114 -16.996 2.942 -1.573 1001 HH21 ARG 114 1HH2 ARG 114 -17.481 5.700 0.536 1002 HH22 ARG 114 2HH2 ARG 114 -18.248 4.521 -0.487 1003 H GLU 115 H GLU 115 -11.726 3.409 -4.599 1004 HA GLU 115 HA GLU 115 -14.435 3.499 -5.448 1005 HB2 GLU 115 2HB GLU 115 -13.573 3.701 -7.730 1006 HB3 GLU 115 1HB GLU 115 -12.661 4.732 -6.635 1007 HG2 GLU 115 2HG GLU 115 -10.822 3.097 -6.609 1008 HG3 GLU 115 1HG GLU 115 -11.734 2.039 -7.679 1009 H CYS 116 H CYS 116 -11.979 0.941 -5.493 1010 HA CYS 116 HA CYS 116 -13.408 -0.870 -7.161 1011 HB2 CYS 116 2HB CYS 116 -11.128 -1.394 -5.221 1012 HB3 CYS 116 1HB CYS 116 -11.757 -2.565 -6.383 1013 HG CYS 116 HG CYS 116 -10.591 0.448 -7.457 1014 H LEU 117 H LEU 117 -13.651 -0.136 -3.741 1015 HA LEU 117 HA LEU 117 -14.739 -2.431 -2.633 1016 HB2 LEU 117 2HB LEU 117 -15.478 0.480 -2.161 1017 HB3 LEU 117 1HB LEU 117 -16.143 -0.817 -1.185 1018 HG LEU 117 HG LEU 117 -13.162 -0.205 -1.371 1019 HD11 LEU 117 1HD1 LEU 117 -15.131 0.575 0.800 1020 HD12 LEU 117 2HD1 LEU 117 -14.355 1.671 -0.347 1021 HD13 LEU 117 3HD1 LEU 117 -13.381 0.815 0.844 1022 HD21 LEU 117 3HD2 LEU 117 -13.666 -2.539 -0.759 1023 HD22 LEU 117 1HD2 LEU 117 -14.691 -1.983 0.563 1024 HD23 LEU 117 2HD2 LEU 117 -12.954 -1.663 0.587 1025 H ALA 118 H ALA 118 -16.279 -0.094 -4.768 1026 HA ALA 118 HA ALA 118 -18.967 -0.947 -4.513 1027 HB1 ALA 118 3HB ALA 118 -17.639 0.511 -6.816 1028 HB2 ALA 118 1HB ALA 118 -18.354 1.265 -5.391 1029 HB3 ALA 118 2HB ALA 118 -19.378 0.393 -6.536 1030 H GLU 119 H GLU 119 -16.725 -1.514 -7.331 1031 HA GLU 119 HA GLU 119 -18.296 -3.482 -8.525 1032 HB2 GLU 119 2HB GLU 119 -16.330 -4.054 -9.874 1033 HB3 GLU 119 1HB GLU 119 -16.553 -2.314 -9.755 1034 HG2 GLU 119 2HG GLU 119 -14.787 -2.264 -7.976 1035 HG3 GLU 119 1HG GLU 119 -14.498 -3.976 -8.269 1036 H THR 120 H THR 120 -15.747 -3.849 -6.095 1037 HA THR 120 HA THR 120 -15.486 -6.631 -5.994 1038 HB THR 120 HB THR 120 -15.240 -4.521 -3.805 1039 HG1 THR 120 HG1 THR 120 -13.115 -6.020 -4.879 1040 HG21 THR 120 3HG2 THR 120 -15.720 -6.673 -2.694 1041 HG22 THR 120 1HG2 THR 120 -14.037 -6.204 -2.447 1042 HG23 THR 120 2HG2 THR 120 -14.440 -7.449 -3.624 1043 H GLU 121 H GLU 121 -17.787 -4.448 -4.470 1044 HA GLU 121 HA GLU 121 -19.163 -6.289 -2.877 1045 HB2 GLU 121 2HB GLU 121 -19.295 -3.829 -2.611 1046 HB3 GLU 121 1HB GLU 121 -20.181 -3.712 -4.129 1047 HG2 GLU 121 2HG GLU 121 -21.631 -3.566 -2.096 1048 HG3 GLU 121 1HG GLU 121 -22.080 -4.859 -3.204 1049 H ARG 122 H ARG 122 -19.466 -5.479 -6.318 1050 HA ARG 122 HA ARG 122 -21.873 -7.094 -6.654 1051 HB2 ARG 122 2HB ARG 122 -21.539 -4.850 -7.798 1052 HB3 ARG 122 1HB ARG 122 -20.232 -5.567 -8.724 1053 HG2 ARG 122 2HG ARG 122 -22.147 -5.511 -10.133 1054 HG3 ARG 122 1HG ARG 122 -21.920 -7.199 -9.678 1055 HD2 ARG 122 2HD ARG 122 -23.899 -5.315 -8.346 1056 HD3 ARG 122 1HD ARG 122 -24.308 -6.423 -9.649 1057 HE ARG 122 HE ARG 122 -23.805 -7.086 -6.858 1058 HH11 ARG 122 1HH1 ARG 122 -24.273 -8.356 -10.141 1059 HH12 ARG 122 2HH1 ARG 122 -24.668 -9.953 -9.587 1060 HH21 ARG 122 1HH2 ARG 122 -24.313 -9.194 -6.179 1061 HH22 ARG 122 2HH2 ARG 122 -24.690 -10.421 -7.346 1062 H ASN 123 H ASN 123 -18.473 -7.467 -6.700 1063 HA ASN 123 HA ASN 123 -18.293 -9.619 -8.612 1064 HB2 ASN 123 2HB ASN 123 -16.270 -8.512 -6.610 1065 HB3 ASN 123 1HB ASN 123 -15.921 -9.906 -7.620 1066 HD21 ASN 123 1HD2 ASN 123 -14.634 -7.289 -7.484 1067 HD22 ASN 123 2HD2 ASN 123 -14.665 -6.661 -9.097 1068 H ALA 124 H ALA 124 -16.999 -9.876 -5.314 1069 HA ALA 124 HA ALA 124 -18.530 -11.907 -4.232 1070 HB1 ALA 124 3HB ALA 124 -16.277 -13.041 -5.947 1071 HB2 ALA 124 1HB ALA 124 -18.005 -13.245 -6.253 1072 HB3 ALA 124 2HB ALA 124 -17.272 -13.961 -4.817 1073 H ARG 125 H ARG 125 -16.999 -13.405 -2.818 1074 HA ARG 125 HA ARG 125 -14.503 -12.156 -1.935 1075 HB2 ARG 125 2HB ARG 125 -15.277 -12.271 0.472 1076 HB3 ARG 125 1HB ARG 125 -16.101 -11.054 -0.497 1077 HG2 ARG 125 2HG ARG 125 -18.055 -12.506 -0.734 1078 HG3 ARG 125 1HG ARG 125 -17.240 -13.786 0.160 1079 HD2 ARG 125 2HD ARG 125 -17.239 -12.434 2.186 1080 HD3 ARG 125 1HD ARG 125 -17.916 -11.058 1.304 1081 HE ARG 125 HE ARG 125 -19.987 -11.986 1.471 1082 HH11 ARG 125 1HH1 ARG 125 -17.671 -14.541 2.218 1083 HH12 ARG 125 2HH1 ARG 125 -18.900 -15.672 2.688 1084 HH21 ARG 125 1HH2 ARG 125 -21.562 -13.485 2.053 1085 HH22 ARG 125 2HH2 ARG 125 -21.091 -15.066 2.590 1086 H THR 126 H THR 126 -15.924 -14.832 -3.043 1087 HA THR 126 HA THR 126 -14.955 -16.821 -1.188 1088 HB THR 126 HB THR 126 -15.993 -17.149 -4.049 1089 HG1 THR 126 HG1 THR 126 -17.315 -16.450 -1.961 1090 HG21 THR 126 3HG2 THR 126 -16.308 -19.535 -3.473 1091 HG22 THR 126 1HG2 THR 126 -15.564 -19.264 -1.894 1092 HG23 THR 126 2HG2 THR 126 -14.603 -19.099 -3.365 Start of MODEL 16 1 H1 SER 58 1H SER 58 -19.703 -32.540 30.178 2 H2 SER 58 2H SER 58 -18.176 -32.502 29.451 3 H3 SER 58 3H SER 58 -18.903 -33.979 29.829 4 HA SER 58 HA SER 58 -19.006 -33.486 27.474 5 HB2 SER 58 2HB SER 58 -21.741 -33.461 28.833 6 HB3 SER 58 1HB SER 58 -21.380 -34.072 27.212 7 HG SER 58 HG SER 58 -19.884 -35.547 28.347 8 H HIS 59 H HIS 59 -19.116 -30.797 29.261 9 HA HIS 59 HA HIS 59 -20.852 -29.046 27.834 10 HB2 HIS 59 2HB HIS 59 -18.459 -28.509 29.647 11 HB3 HIS 59 1HB HIS 59 -19.436 -27.221 28.948 12 HD1 HIS 59 HD1 HIS 59 -19.194 -29.293 31.884 13 HD2 HIS 59 HD2 HIS 59 -22.293 -27.449 29.814 14 HE1 HIS 59 HE1 HIS 59 -21.103 -29.155 33.505 15 HE2 HIS 59 HE2 HIS 59 -22.991 -28.132 32.203 16 H MET 60 H MET 60 -20.454 -29.291 25.609 17 HA MET 60 HA MET 60 -17.862 -28.233 24.611 18 HB2 MET 60 2HB MET 60 -18.057 -29.717 22.646 19 HB3 MET 60 1HB MET 60 -17.968 -30.638 24.136 20 HG2 MET 60 2HG MET 60 -20.376 -31.069 24.037 21 HG3 MET 60 1HG MET 60 -20.502 -30.100 22.567 22 HE1 MET 60 3HE MET 60 -18.404 -32.298 20.026 23 HE2 MET 60 1HE MET 60 -17.726 -31.036 21.052 24 HE3 MET 60 2HE MET 60 -19.280 -30.783 20.257 25 H ALA 61 H ALA 61 -17.982 -26.573 23.256 26 HA ALA 61 HA ALA 61 -20.462 -26.014 21.762 27 HB1 ALA 61 3HB ALA 61 -20.166 -23.587 22.162 28 HB2 ALA 61 1HB ALA 61 -18.806 -23.922 23.239 29 HB3 ALA 61 2HB ALA 61 -20.431 -24.457 23.673 30 H MET 62 H MET 62 -20.060 -25.739 19.647 31 HA MET 62 HA MET 62 -17.499 -26.041 18.475 32 HB2 MET 62 2HB MET 62 -20.112 -25.018 17.264 33 HB3 MET 62 1HB MET 62 -18.676 -25.414 16.326 34 HG2 MET 62 2HG MET 62 -20.258 -27.371 18.007 35 HG3 MET 62 1HG MET 62 -20.354 -27.208 16.255 36 HE1 MET 62 3HE MET 62 -16.777 -28.429 15.135 37 HE2 MET 62 1HE MET 62 -17.288 -26.764 15.412 38 HE3 MET 62 2HE MET 62 -18.360 -27.892 14.578 39 H LYS 63 H LYS 63 -19.630 -23.251 18.933 40 HA LYS 63 HA LYS 63 -19.487 -21.032 18.529 41 HB2 LYS 63 2HB LYS 63 -16.611 -21.413 19.468 42 HB3 LYS 63 1HB LYS 63 -17.474 -19.881 19.428 43 HG2 LYS 63 2HG LYS 63 -19.062 -20.740 21.138 44 HG3 LYS 63 1HG LYS 63 -18.179 -22.268 21.175 45 HD2 LYS 63 2HD LYS 63 -17.513 -20.872 23.076 46 HD3 LYS 63 1HD LYS 63 -16.149 -21.060 21.970 47 HE2 LYS 63 2HE LYS 63 -16.679 -18.825 21.007 48 HE3 LYS 63 1HE LYS 63 -17.977 -18.649 22.189 49 HZ1 LYS 63 3HZ LYS 63 -16.360 -18.759 23.952 50 HZ2 LYS 63 1HZ LYS 63 -15.948 -17.529 22.871 51 HZ3 LYS 63 2HZ LYS 63 -15.104 -18.993 22.843 52 HA PRO 64 HA PRO 64 -17.412 -22.150 14.423 53 HB2 PRO 64 2HB PRO 64 -19.549 -21.588 12.760 54 HB3 PRO 64 1HB PRO 64 -19.346 -23.144 13.587 55 HG2 PRO 64 2HG PRO 64 -21.073 -20.817 14.360 56 HG3 PRO 64 1HG PRO 64 -21.448 -22.556 14.377 57 HD2 PRO 64 2HD PRO 64 -20.763 -21.226 16.641 58 HD3 PRO 64 1HD PRO 64 -20.326 -22.927 16.377 59 HA PRO 65 HA PRO 65 -16.169 -17.826 13.895 60 HB2 PRO 65 2HB PRO 65 -14.624 -18.167 11.585 61 HB3 PRO 65 1HB PRO 65 -14.055 -18.527 13.226 62 HG2 PRO 65 2HG PRO 65 -15.153 -20.409 11.167 63 HG3 PRO 65 1HG PRO 65 -13.749 -20.612 12.244 64 HD2 PRO 65 2HD PRO 65 -16.094 -21.792 12.813 65 HD3 PRO 65 1HD PRO 65 -15.082 -21.115 14.107 66 H GLY 66 H GLY 66 -17.799 -16.514 13.303 67 HA2 GLY 66 2HA GLY 66 -19.558 -16.994 11.077 68 HA3 GLY 66 1HA GLY 66 -19.583 -15.613 12.158 69 H ALA 67 H ALA 67 -17.779 -17.007 9.452 70 HA ALA 67 HA ALA 67 -16.420 -14.601 8.704 71 HB1 ALA 67 3HB ALA 67 -16.891 -17.161 7.129 72 HB2 ALA 67 1HB ALA 67 -15.519 -16.841 8.191 73 HB3 ALA 67 2HB ALA 67 -15.730 -15.894 6.719 74 H GLN 68 H GLN 68 -16.907 -13.181 7.000 75 HA GLN 68 HA GLN 68 -19.448 -13.566 5.530 76 HB2 GLN 68 2HB GLN 68 -19.860 -11.976 7.428 77 HB3 GLN 68 1HB GLN 68 -18.599 -10.919 6.801 78 HG2 GLN 68 2HG GLN 68 -20.837 -10.111 6.185 79 HG3 GLN 68 1HG GLN 68 -19.894 -10.532 4.761 80 HE21 GLN 68 1HE2 GLN 68 -21.620 -12.827 6.871 81 HE22 GLN 68 2HE2 GLN 68 -22.747 -13.327 5.662 82 H GLY 69 H GLY 69 -18.992 -13.599 3.446 83 HA2 GLY 69 2HA GLY 69 -16.589 -12.440 2.302 84 HA3 GLY 69 1HA GLY 69 -17.815 -13.390 1.473 85 H SER 70 H SER 70 -17.539 -10.249 3.150 86 HA SER 70 HA SER 70 -19.566 -9.052 1.407 87 HB2 SER 70 2HB SER 70 -19.505 -8.659 3.917 88 HB3 SER 70 1HB SER 70 -17.996 -7.775 3.694 89 HG SER 70 HG SER 70 -19.916 -6.865 2.010 90 H GLN 71 H GLN 71 -16.842 -9.876 0.420 91 HA GLN 71 HA GLN 71 -15.073 -9.284 -0.800 92 HB2 GLN 71 2HB GLN 71 -16.678 -7.552 -1.828 93 HB3 GLN 71 1HB GLN 71 -15.932 -6.371 -0.760 94 HG2 GLN 71 2HG GLN 71 -14.835 -6.143 -2.855 95 HG3 GLN 71 1HG GLN 71 -13.705 -7.004 -1.816 96 HE21 GLN 71 1HE2 GLN 71 -12.634 -7.759 -3.703 97 HE22 GLN 71 2HE2 GLN 71 -13.280 -9.060 -4.635 98 H SER 72 H SER 72 -15.329 -9.110 2.207 99 HA SER 72 HA SER 72 -13.870 -7.282 3.488 100 HB2 SER 72 2HB SER 72 -13.860 -10.270 4.002 101 HB3 SER 72 1HB SER 72 -13.470 -9.021 5.187 102 HG SER 72 HG SER 72 -15.527 -8.680 5.481 103 H THR 73 H THR 73 -12.294 -9.990 1.644 104 HA THR 73 HA THR 73 -9.653 -9.604 2.280 105 HB THR 73 HB THR 73 -10.808 -10.081 -0.508 106 HG1 THR 73 HG1 THR 73 -11.204 -12.000 0.216 107 HG21 THR 73 3HG2 THR 73 -7.981 -10.675 0.473 108 HG22 THR 73 1HG2 THR 73 -8.421 -9.445 -0.718 109 HG23 THR 73 2HG2 THR 73 -8.646 -11.154 -1.089 110 H TYR 74 H TYR 74 -11.523 -7.755 -0.092 111 HA TYR 74 HA TYR 74 -9.347 -5.999 -0.810 112 HB2 TYR 74 2HB TYR 74 -11.077 -6.872 -2.427 113 HB3 TYR 74 1HB TYR 74 -12.283 -5.886 -1.612 114 HD1 TYR 74 HD1 TYR 74 -8.854 -4.690 -2.184 115 HD2 TYR 74 HD2 TYR 74 -12.860 -4.625 -3.661 116 HE1 TYR 74 HE1 TYR 74 -8.257 -2.889 -3.699 117 HE2 TYR 74 HE2 TYR 74 -12.242 -2.807 -5.207 118 HH TYR 74 HH TYR 74 -8.988 -1.963 -5.803 119 H THR 75 H THR 75 -12.103 -5.878 1.341 120 HA THR 75 HA THR 75 -12.183 -3.020 1.626 121 HB THR 75 HB THR 75 -13.449 -5.135 3.432 122 HG1 THR 75 HG1 THR 75 -14.023 -4.378 0.831 123 HG21 THR 75 3HG2 THR 75 -14.254 -2.261 2.840 124 HG22 THR 75 1HG2 THR 75 -13.572 -2.854 4.359 125 HG23 THR 75 2HG2 THR 75 -15.164 -3.400 3.835 126 H ASP 76 H ASP 76 -10.890 -5.738 3.518 127 HA ASP 76 HA ASP 76 -9.672 -4.417 5.650 128 HB2 ASP 76 2HB ASP 76 -9.835 -6.909 5.412 129 HB3 ASP 76 1HB ASP 76 -8.601 -6.867 4.155 130 H LEU 77 H LEU 77 -8.573 -4.921 2.345 131 HA LEU 77 HA LEU 77 -5.957 -3.977 2.496 132 HB2 LEU 77 2HB LEU 77 -6.838 -5.177 0.550 133 HB3 LEU 77 1HB LEU 77 -7.928 -3.850 0.185 134 HG LEU 77 HG LEU 77 -5.962 -2.393 -0.338 135 HD11 LEU 77 1HD1 LEU 77 -4.287 -4.882 0.097 136 HD12 LEU 77 2HD1 LEU 77 -4.273 -3.422 1.090 137 HD13 LEU 77 3HD1 LEU 77 -3.721 -3.351 -0.580 138 HD21 LEU 77 3HD2 LEU 77 -5.363 -3.460 -2.463 139 HD22 LEU 77 1HD2 LEU 77 -7.089 -3.591 -2.137 140 HD23 LEU 77 2HD2 LEU 77 -6.039 -4.990 -1.898 141 H LEU 78 H LEU 78 -8.998 -2.152 2.079 142 HA LEU 78 HA LEU 78 -8.009 0.383 1.481 143 HB2 LEU 78 2HB LEU 78 -10.413 -0.275 1.457 144 HB3 LEU 78 1HB LEU 78 -10.420 -0.304 3.210 145 HG LEU 78 HG LEU 78 -9.919 2.176 3.203 146 HD11 LEU 78 1HD1 LEU 78 -10.369 1.981 0.211 147 HD12 LEU 78 2HD1 LEU 78 -8.852 2.378 1.023 148 HD13 LEU 78 3HD1 LEU 78 -10.225 3.474 1.146 149 HD21 LEU 78 3HD2 LEU 78 -12.461 1.388 1.750 150 HD22 LEU 78 1HD2 LEU 78 -12.178 2.905 2.608 151 HD23 LEU 78 2HD2 LEU 78 -12.215 1.385 3.498 152 H SER 79 H SER 79 -8.526 -1.109 4.671 153 HA SER 79 HA SER 79 -7.519 1.155 6.134 154 HB2 SER 79 2HB SER 79 -7.735 -0.411 8.122 155 HB3 SER 79 1HB SER 79 -9.218 -0.132 7.210 156 HG SER 79 HG SER 79 -7.551 -2.345 6.670 157 H VAL 80 H VAL 80 -6.078 -1.819 4.826 158 HA VAL 80 HA VAL 80 -3.651 -1.810 6.294 159 HB VAL 80 HB VAL 80 -4.211 -2.748 3.430 160 HG11 VAL 80 1HG1 VAL 80 -1.810 -2.254 3.578 161 HG12 VAL 80 2HG1 VAL 80 -2.065 -3.996 3.516 162 HG13 VAL 80 3HG1 VAL 80 -1.674 -3.220 5.051 163 HG21 VAL 80 3HG2 VAL 80 -4.157 -5.017 4.390 164 HG22 VAL 80 1HG2 VAL 80 -5.391 -4.025 5.168 165 HG23 VAL 80 2HG2 VAL 80 -3.865 -4.340 5.995 166 H ILE 81 H ILE 81 -4.548 -0.312 3.189 167 HA ILE 81 HA ILE 81 -2.194 0.995 2.534 168 HB ILE 81 HB ILE 81 -5.047 1.955 2.013 169 HG12 ILE 81 2HG1 ILE 81 -4.724 -0.299 1.128 170 HG13 ILE 81 1HG1 ILE 81 -4.812 0.834 -0.206 171 HG21 ILE 81 1HG2 ILE 81 -4.100 3.171 0.069 172 HG22 ILE 81 2HG2 ILE 81 -2.474 2.742 0.606 173 HG23 ILE 81 3HG2 ILE 81 -3.491 3.779 1.608 174 HD11 ILE 81 3HD1 ILE 81 -3.149 -0.846 -0.625 175 HD12 ILE 81 1HD1 ILE 81 -2.322 -0.475 0.885 176 HD13 ILE 81 2HD1 ILE 81 -2.352 0.713 -0.423 177 H GLU 82 H GLU 82 -4.929 2.181 4.492 178 HA GLU 82 HA GLU 82 -3.965 4.784 4.967 179 HB2 GLU 82 2HB GLU 82 -6.343 4.133 5.207 180 HB3 GLU 82 1HB GLU 82 -5.940 3.142 6.605 181 HG2 GLU 82 2HG GLU 82 -5.288 5.126 7.874 182 HG3 GLU 82 1HG GLU 82 -5.551 6.148 6.460 183 H GLU 83 H GLU 83 -3.702 1.806 6.866 184 HA GLU 83 HA GLU 83 -2.456 3.048 9.137 185 HB2 GLU 83 2HB GLU 83 -2.869 0.130 8.411 186 HB3 GLU 83 1HB GLU 83 -2.142 0.660 9.922 187 HG2 GLU 83 2HG GLU 83 -4.947 1.339 8.999 188 HG3 GLU 83 1HG GLU 83 -4.527 0.095 10.168 189 H MET 84 H MET 84 -1.176 1.712 6.167 190 HA MET 84 HA MET 84 1.536 1.526 7.130 191 HB2 MET 84 2HB MET 84 0.406 1.771 4.306 192 HB3 MET 84 1HB MET 84 2.124 1.596 4.651 193 HG2 MET 84 2HG MET 84 1.642 -0.580 5.759 194 HG3 MET 84 1HG MET 84 -0.048 -0.409 5.296 195 HE1 MET 84 3HE MET 84 -0.821 -0.315 2.641 196 HE2 MET 84 1HE MET 84 0.329 -0.528 1.321 197 HE3 MET 84 2HE MET 84 0.391 0.926 2.316 198 H GLY 85 H GLY 85 -0.544 4.069 5.876 199 HA2 GLY 85 2HA GLY 85 1.324 6.045 5.180 200 HA3 GLY 85 1HA GLY 85 -0.343 6.331 5.641 201 H LYS 86 H LYS 86 0.425 4.977 8.334 202 HA LYS 86 HA LYS 86 1.184 7.481 9.647 203 HB2 LYS 86 2HB LYS 86 0.360 6.509 11.679 204 HB3 LYS 86 1HB LYS 86 -0.803 6.135 10.418 205 HG2 LYS 86 2HG LYS 86 0.575 3.860 10.283 206 HG3 LYS 86 1HG LYS 86 1.037 4.299 11.923 207 HD2 LYS 86 2HD LYS 86 -1.784 3.865 10.879 208 HD3 LYS 86 1HD LYS 86 -0.891 2.807 11.964 209 HE2 LYS 86 2HE LYS 86 -0.951 4.532 13.715 210 HE3 LYS 86 1HE LYS 86 -1.798 5.627 12.618 211 HZ1 LYS 86 3HZ LYS 86 -3.627 4.019 12.518 212 HZ2 LYS 86 1HZ LYS 86 -3.351 4.546 14.099 213 HZ3 LYS 86 2HZ LYS 86 -2.823 3.018 13.615 214 H GLU 87 H GLU 87 2.460 4.242 8.974 215 HA GLU 87 HA GLU 87 4.665 4.533 10.865 216 HB2 GLU 87 2HB GLU 87 3.859 2.205 9.076 217 HB3 GLU 87 1HB GLU 87 5.317 2.209 10.066 218 HG2 GLU 87 2HG GLU 87 3.794 2.642 12.078 219 HG3 GLU 87 1HG GLU 87 2.441 2.272 11.013 220 H ILE 88 H ILE 88 4.154 5.568 7.747 221 HA ILE 88 HA ILE 88 6.705 5.213 6.537 222 HB ILE 88 HB ILE 88 4.597 7.394 6.191 223 HG12 ILE 88 2HG1 ILE 88 5.276 4.950 4.496 224 HG13 ILE 88 1HG1 ILE 88 3.858 5.142 5.518 225 HG21 ILE 88 1HG2 ILE 88 5.734 8.052 4.093 226 HG22 ILE 88 2HG2 ILE 88 7.058 6.947 4.465 227 HG23 ILE 88 3HG2 ILE 88 6.752 8.338 5.504 228 HD11 ILE 88 3HD1 ILE 88 3.389 5.439 3.143 229 HD12 ILE 88 1HD1 ILE 88 4.467 6.827 3.099 230 HD13 ILE 88 2HD1 ILE 88 3.005 6.873 4.091 231 H ARG 89 H ARG 89 5.398 7.510 8.826 232 HA ARG 89 HA ARG 89 7.448 9.451 8.746 233 HB2 ARG 89 2HB ARG 89 5.624 8.958 11.132 234 HB3 ARG 89 1HB ARG 89 6.408 10.463 10.671 235 HG2 ARG 89 2HG ARG 89 4.949 10.790 8.815 236 HG3 ARG 89 1HG ARG 89 4.358 9.128 8.885 237 HD2 ARG 89 2HD ARG 89 3.342 9.665 11.135 238 HD3 ARG 89 1HD ARG 89 3.793 11.355 10.873 239 HE ARG 89 HE ARG 89 2.377 10.816 8.655 240 HH11 ARG 89 1HH1 ARG 89 1.601 10.239 12.061 241 HH12 ARG 89 2HH1 ARG 89 -0.110 10.393 11.810 242 HH21 ARG 89 1HH2 ARG 89 0.151 11.030 8.355 243 HH22 ARG 89 2HH2 ARG 89 -0.932 10.845 9.698 244 HA PRO 90 HA PRO 90 9.551 7.230 12.611 245 HB2 PRO 90 2HB PRO 90 8.801 4.585 13.112 246 HB3 PRO 90 1HB PRO 90 8.158 5.993 13.979 247 HG2 PRO 90 2HG PRO 90 6.950 4.484 11.696 248 HG3 PRO 90 1HG PRO 90 6.176 5.121 13.165 249 HD2 PRO 90 2HD PRO 90 5.964 6.405 10.813 250 HD3 PRO 90 1HD PRO 90 6.085 7.294 12.344 251 H THR 91 H THR 91 8.597 5.193 9.810 252 HA THR 91 HA THR 91 10.977 3.770 9.401 253 HB THR 91 HB THR 91 8.953 4.868 7.407 254 HG1 THR 91 HG1 THR 91 7.937 3.105 7.950 255 HG21 THR 91 3HG2 THR 91 11.052 4.552 6.147 256 HG22 THR 91 1HG2 THR 91 9.883 3.296 5.720 257 HG23 THR 91 2HG2 THR 91 11.220 2.928 6.812 258 H TYR 92 H TYR 92 10.051 6.979 8.201 259 HA TYR 92 HA TYR 92 12.451 7.721 6.950 260 HB2 TYR 92 2HB TYR 92 10.239 8.838 6.617 261 HB3 TYR 92 1HB TYR 92 10.342 9.511 8.242 262 HD1 TYR 92 HD2 TYR 92 12.019 9.495 4.913 263 HD2 TYR 92 HD1 TYR 92 11.522 11.591 8.597 264 HE1 TYR 92 HE2 TYR 92 13.246 11.392 3.995 265 HE2 TYR 92 HE1 TYR 92 12.763 13.509 7.667 266 HH TYR 92 HH TYR 92 14.504 13.862 5.837 267 H ALA 93 H ALA 93 11.513 7.705 10.306 268 HA ALA 93 HA ALA 93 13.560 9.540 11.249 269 HB1 ALA 93 3HB ALA 93 11.705 7.703 12.803 270 HB2 ALA 93 1HB ALA 93 11.385 9.384 12.379 271 HB3 ALA 93 2HB ALA 93 12.700 8.994 13.486 272 H GLY 94 H GLY 94 13.686 6.378 10.199 273 HA2 GLY 94 2HA GLY 94 15.536 4.971 10.220 274 HA3 GLY 94 1HA GLY 94 16.169 5.798 11.631 275 H SER 95 H SER 95 13.011 5.191 12.448 276 HA SER 95 HA SER 95 13.523 3.031 14.146 277 HB2 SER 95 2HB SER 95 10.802 3.896 13.082 278 HB3 SER 95 1HB SER 95 11.115 2.991 14.564 279 HG SER 95 HG SER 95 10.785 5.381 14.702 280 H LYS 96 H LYS 96 14.384 1.267 13.213 281 HA LYS 96 HA LYS 96 13.709 0.015 10.827 282 HB2 LYS 96 2HB LYS 96 15.017 -1.922 11.718 283 HB3 LYS 96 1HB LYS 96 15.826 -0.371 11.888 284 HG2 LYS 96 2HG LYS 96 15.152 -0.280 14.267 285 HG3 LYS 96 1HG LYS 96 14.397 -1.863 14.114 286 HD2 LYS 96 2HD LYS 96 17.353 -1.391 13.564 287 HD3 LYS 96 1HD LYS 96 16.729 -1.793 15.161 288 HE2 LYS 96 2HE LYS 96 17.550 -3.812 14.124 289 HE3 LYS 96 1HE LYS 96 15.796 -3.910 14.228 290 HZ1 LYS 96 3HZ LYS 96 17.314 -3.180 11.776 291 HZ2 LYS 96 1HZ LYS 96 15.643 -3.403 11.886 292 HZ3 LYS 96 2HZ LYS 96 16.682 -4.712 12.104 293 H SER 97 H SER 97 12.235 -0.418 13.988 294 HA SER 97 HA SER 97 10.941 -2.908 13.502 295 HB2 SER 97 2HB SER 97 11.299 -2.023 15.779 296 HB3 SER 97 1HB SER 97 10.197 -0.685 15.458 297 HG SER 97 HG SER 97 9.189 -2.402 16.595 298 H ALA 98 H ALA 98 9.777 0.465 13.279 299 HA ALA 98 HA ALA 98 7.172 -0.110 12.330 300 HB1 ALA 98 3HB ALA 98 7.774 2.029 13.366 301 HB2 ALA 98 1HB ALA 98 7.072 2.276 11.766 302 HB3 ALA 98 2HB ALA 98 8.818 2.419 11.998 303 H MET 99 H MET 99 10.263 0.498 10.690 304 HA MET 99 HA MET 99 9.301 0.610 8.019 305 HB2 MET 99 2HB MET 99 11.435 1.582 8.618 306 HB3 MET 99 1HB MET 99 12.052 0.045 9.194 307 HG2 MET 99 2HG MET 99 11.312 0.453 6.290 308 HG3 MET 99 1HG MET 99 12.888 0.916 6.919 309 HE1 MET 99 3HE MET 99 14.300 -2.551 8.122 310 HE2 MET 99 1HE MET 99 13.328 -1.468 9.115 311 HE3 MET 99 2HE MET 99 14.579 -0.811 8.055 312 H GLU 100 H GLU 100 10.418 -2.023 10.072 313 HA GLU 100 HA GLU 100 10.495 -4.106 8.137 314 HB2 GLU 100 2HB GLU 100 11.612 -4.257 10.350 315 HB3 GLU 100 1HB GLU 100 10.051 -4.253 11.160 316 HG2 GLU 100 2HG GLU 100 9.499 -6.424 10.188 317 HG3 GLU 100 1HG GLU 100 10.987 -6.413 9.242 318 H ARG 101 H ARG 101 8.030 -2.832 10.288 319 HA ARG 101 HA ARG 101 5.971 -4.739 9.560 320 HB2 ARG 101 2HB ARG 101 6.187 -3.596 11.834 321 HB3 ARG 101 1HB ARG 101 5.605 -2.120 11.068 322 HG2 ARG 101 2HG ARG 101 3.498 -3.291 10.456 323 HG3 ARG 101 1HG ARG 101 4.083 -4.747 11.263 324 HD2 ARG 101 2HD ARG 101 3.567 -2.073 12.602 325 HD3 ARG 101 1HD ARG 101 2.487 -3.464 12.655 326 HE ARG 101 HE ARG 101 4.202 -4.656 13.929 327 HH11 ARG 101 1HH1 ARG 101 4.550 -1.152 13.765 328 HH12 ARG 101 2HH1 ARG 101 5.481 -1.061 15.224 329 HH21 ARG 101 1HH2 ARG 101 5.403 -4.519 15.842 330 HH22 ARG 101 2HH2 ARG 101 5.969 -2.980 16.407 331 H LEU 102 H LEU 102 7.107 -1.688 8.350 332 HA LEU 102 HA LEU 102 4.743 -0.887 6.933 333 HB2 LEU 102 2HB LEU 102 6.646 0.659 7.600 334 HB3 LEU 102 1HB LEU 102 7.634 -0.094 6.360 335 HG LEU 102 HG LEU 102 6.031 0.723 4.615 336 HD11 LEU 102 1HD1 LEU 102 4.327 2.384 5.193 337 HD12 LEU 102 2HD1 LEU 102 4.651 2.126 6.909 338 HD13 LEU 102 3HD1 LEU 102 3.994 0.816 5.923 339 HD21 LEU 102 3HD2 LEU 102 8.018 2.065 5.152 340 HD22 LEU 102 1HD2 LEU 102 7.106 2.936 6.389 341 HD23 LEU 102 2HD2 LEU 102 6.660 3.086 4.686 342 H LYS 103 H LYS 103 7.797 -2.503 5.973 343 HA LYS 103 HA LYS 103 7.021 -3.117 3.305 344 HB2 LYS 103 2HB LYS 103 9.017 -4.651 5.019 345 HB3 LYS 103 1HB LYS 103 8.883 -4.707 3.264 346 HG2 LYS 103 2HG LYS 103 9.450 -2.226 3.262 347 HG3 LYS 103 1HG LYS 103 9.844 -2.401 4.972 348 HD2 LYS 103 2HD LYS 103 11.186 -3.786 2.624 349 HD3 LYS 103 1HD LYS 103 11.885 -2.560 3.679 350 HE2 LYS 103 2HE LYS 103 11.083 -5.359 4.543 351 HE3 LYS 103 1HE LYS 103 12.723 -4.820 4.200 352 HZ1 LYS 103 3HZ LYS 103 11.018 -3.609 6.293 353 HZ2 LYS 103 1HZ LYS 103 12.660 -3.331 6.013 354 HZ3 LYS 103 2HZ LYS 103 12.144 -4.839 6.579 355 H ARG 104 H ARG 104 6.599 -4.773 6.384 356 HA ARG 104 HA ARG 104 5.554 -7.235 5.466 357 HB2 ARG 104 2HB ARG 104 6.320 -6.747 7.807 358 HB3 ARG 104 1HB ARG 104 4.907 -5.729 8.037 359 HG2 ARG 104 2HG ARG 104 3.445 -7.698 7.750 360 HG3 ARG 104 1HG ARG 104 4.867 -8.716 7.511 361 HD2 ARG 104 2HD ARG 104 5.641 -8.114 9.811 362 HD3 ARG 104 1HD ARG 104 4.158 -7.176 10.030 363 HE ARG 104 HE ARG 104 3.068 -9.482 9.450 364 HH11 ARG 104 1HH1 ARG 104 5.856 -8.964 11.553 365 HH12 ARG 104 2HH1 ARG 104 5.527 -10.364 12.523 366 HH21 ARG 104 1HH2 ARG 104 2.648 -11.295 10.737 367 HH22 ARG 104 2HH2 ARG 104 3.706 -11.689 12.061 368 H GLY 105 H GLY 105 4.086 -4.102 6.217 369 HA2 GLY 105 2HA GLY 105 1.392 -4.663 5.725 370 HA3 GLY 105 1HA GLY 105 2.160 -3.091 5.536 371 H ILE 106 H ILE 106 4.035 -3.780 3.499 372 HA ILE 106 HA ILE 106 2.404 -3.732 1.165 373 HB ILE 106 HB ILE 106 5.357 -3.610 1.674 374 HG12 ILE 106 2HG1 ILE 106 5.167 -1.695 0.011 375 HG13 ILE 106 1HG1 ILE 106 3.448 -2.020 -0.095 376 HG21 ILE 106 1HG2 ILE 106 5.374 -5.363 -0.038 377 HG22 ILE 106 2HG2 ILE 106 5.984 -3.850 -0.709 378 HG23 ILE 106 3HG2 ILE 106 4.344 -4.380 -1.082 379 HD11 ILE 106 3HD1 ILE 106 4.953 -1.111 2.342 380 HD12 ILE 106 1HD1 ILE 106 3.222 -1.437 2.273 381 HD13 ILE 106 2HD1 ILE 106 3.911 -0.128 1.315 382 H ILE 107 H ILE 107 4.278 -6.360 2.728 383 HA ILE 107 HA ILE 107 3.983 -8.308 0.678 384 HB ILE 107 HB ILE 107 4.257 -8.721 3.692 385 HG12 ILE 107 2HG1 ILE 107 6.383 -8.844 1.502 386 HG13 ILE 107 1HG1 ILE 107 6.178 -7.525 2.647 387 HG21 ILE 107 1HG2 ILE 107 4.599 -10.779 1.475 388 HG22 ILE 107 2HG2 ILE 107 3.307 -10.748 2.676 389 HG23 ILE 107 3HG2 ILE 107 4.969 -11.045 3.181 390 HD11 ILE 107 3HD1 ILE 107 8.013 -8.972 3.277 391 HD12 ILE 107 1HD1 ILE 107 6.929 -10.359 3.353 392 HD13 ILE 107 2HD1 ILE 107 6.734 -9.020 4.488 393 H HIS 108 H HIS 108 1.993 -7.418 3.451 394 HA HIS 108 HA HIS 108 -0.018 -9.422 3.111 395 HB2 HIS 108 2HB HIS 108 0.423 -8.354 5.309 396 HB3 HIS 108 1HB HIS 108 -0.110 -6.803 4.665 397 HD1 HIS 108 HD1 HIS 108 -2.298 -6.314 5.714 398 HD2 HIS 108 HD2 HIS 108 -1.994 -10.315 4.629 399 HE1 HIS 108 HE1 HIS 108 -4.507 -7.347 6.300 400 HE2 HIS 108 HE2 HIS 108 -4.336 -9.731 5.540 401 H ALA 109 H ALA 109 0.294 -5.999 2.157 402 HA ALA 109 HA ALA 109 -2.354 -5.646 1.165 403 HB1 ALA 109 3HB ALA 109 -1.477 -3.599 0.120 404 HB2 ALA 109 1HB ALA 109 0.181 -4.133 0.435 405 HB3 ALA 109 2HB ALA 109 -0.898 -3.756 1.778 406 H ARG 110 H ARG 110 0.689 -6.564 -0.327 407 HA ARG 110 HA ARG 110 -0.101 -6.758 -3.043 408 HB2 ARG 110 2HB ARG 110 2.255 -6.649 -2.413 409 HB3 ARG 110 1HB ARG 110 2.118 -8.105 -1.438 410 HG2 ARG 110 2HG ARG 110 1.738 -9.423 -3.522 411 HG3 ARG 110 1HG ARG 110 1.966 -7.951 -4.469 412 HD2 ARG 110 2HD ARG 110 4.265 -7.743 -3.608 413 HD3 ARG 110 1HD ARG 110 4.033 -9.184 -2.616 414 HE ARG 110 HE ARG 110 3.497 -10.063 -5.115 415 HH11 ARG 110 1HH1 ARG 110 6.255 -8.351 -3.767 416 HH12 ARG 110 2HH1 ARG 110 7.383 -9.053 -4.878 417 HH21 ARG 110 1HH2 ARG 110 4.969 -10.965 -6.579 418 HH22 ARG 110 2HH2 ARG 110 6.650 -10.549 -6.483 419 H ALA 111 H ALA 111 -0.088 -9.019 -0.316 420 HA ALA 111 HA ALA 111 -0.828 -11.368 -1.736 421 HB1 ALA 111 3HB ALA 111 -1.289 -12.313 0.491 422 HB2 ALA 111 1HB ALA 111 -1.187 -10.700 1.210 423 HB3 ALA 111 2HB ALA 111 0.242 -11.438 0.485 424 H LEU 112 H LEU 112 -2.649 -8.783 -0.129 425 HA LEU 112 HA LEU 112 -5.213 -10.020 -0.260 426 HB2 LEU 112 2HB LEU 112 -4.416 -7.102 0.077 427 HB3 LEU 112 1HB LEU 112 -6.089 -7.643 0.109 428 HG LEU 112 HG LEU 112 -3.920 -8.457 2.083 429 HD11 LEU 112 1HD1 LEU 112 -5.237 -7.191 3.728 430 HD12 LEU 112 2HD1 LEU 112 -6.350 -6.684 2.453 431 HD13 LEU 112 3HD1 LEU 112 -4.665 -6.163 2.415 432 HD21 LEU 112 3HD2 LEU 112 -5.462 -10.322 1.704 433 HD22 LEU 112 1HD2 LEU 112 -6.847 -9.272 2.025 434 HD23 LEU 112 2HD2 LEU 112 -5.690 -9.638 3.308 435 H VAL 113 H VAL 113 -3.575 -7.621 -2.368 436 HA VAL 113 HA VAL 113 -5.672 -7.415 -4.257 437 HB VAL 113 HB VAL 113 -2.696 -7.042 -4.846 438 HG11 VAL 113 1HG1 VAL 113 -4.027 -7.233 -6.885 439 HG12 VAL 113 2HG1 VAL 113 -3.513 -5.560 -6.681 440 HG13 VAL 113 3HG1 VAL 113 -5.170 -6.022 -6.297 441 HG21 VAL 113 3HG2 VAL 113 -3.389 -5.590 -2.965 442 HG22 VAL 113 1HG2 VAL 113 -4.692 -4.928 -3.952 443 HG23 VAL 113 2HG2 VAL 113 -3.008 -4.646 -4.405 444 H ARG 114 H ARG 114 -2.863 -9.575 -4.011 445 HA ARG 114 HA ARG 114 -2.981 -10.664 -6.615 446 HB2 ARG 114 2HB ARG 114 -0.937 -10.679 -5.198 447 HB3 ARG 114 1HB ARG 114 -1.697 -11.836 -4.109 448 HG2 ARG 114 2HG ARG 114 -0.125 -12.975 -5.582 449 HG3 ARG 114 1HG ARG 114 -1.769 -13.502 -5.949 450 HD2 ARG 114 2HD ARG 114 -1.772 -11.820 -7.853 451 HD3 ARG 114 1HD ARG 114 -0.050 -11.565 -7.536 452 HE ARG 114 HE ARG 114 -0.334 -14.286 -7.816 453 HH11 ARG 114 1HH1 ARG 114 -1.020 -11.523 -9.884 454 HH12 ARG 114 2HH1 ARG 114 -0.768 -12.411 -11.349 455 HH21 ARG 114 1HH2 ARG 114 -0.019 -15.426 -9.748 456 HH22 ARG 114 2HH2 ARG 114 -0.201 -14.616 -11.270 457 H GLU 115 H GLU 115 -4.122 -12.010 -3.482 458 HA GLU 115 HA GLU 115 -5.300 -14.344 -4.601 459 HB2 GLU 115 2HB GLU 115 -6.027 -12.950 -1.994 460 HB3 GLU 115 1HB GLU 115 -6.513 -14.576 -2.453 461 HG2 GLU 115 2HG GLU 115 -3.717 -13.607 -1.843 462 HG3 GLU 115 1HG GLU 115 -4.691 -14.730 -0.900 463 H CYS 116 H CYS 116 -6.557 -11.106 -3.908 464 HA CYS 116 HA CYS 116 -9.275 -11.732 -4.553 465 HB2 CYS 116 2HB CYS 116 -8.708 -9.911 -3.022 466 HB3 CYS 116 1HB CYS 116 -7.929 -9.023 -4.329 467 HG CYS 116 HG CYS 116 -11.208 -9.382 -3.606 468 H LEU 117 H LEU 117 -6.493 -10.986 -6.522 469 HA LEU 117 HA LEU 117 -7.717 -10.032 -8.855 470 HB2 LEU 117 2HB LEU 117 -5.274 -11.775 -8.451 471 HB3 LEU 117 1HB LEU 117 -5.814 -11.379 -10.073 472 HG LEU 117 HG LEU 117 -4.981 -9.328 -7.973 473 HD11 LEU 117 1HD1 LEU 117 -3.448 -10.307 -10.404 474 HD12 LEU 117 2HD1 LEU 117 -3.058 -10.648 -8.717 475 HD13 LEU 117 3HD1 LEU 117 -2.960 -8.998 -9.321 476 HD21 LEU 117 3HD2 LEU 117 -5.627 -8.924 -10.916 477 HD22 LEU 117 1HD2 LEU 117 -5.071 -7.683 -9.789 478 HD23 LEU 117 2HD2 LEU 117 -6.650 -8.434 -9.564 479 H ALA 118 H ALA 118 -7.655 -13.312 -7.546 480 HA ALA 118 HA ALA 118 -8.832 -14.684 -9.719 481 HB1 ALA 118 3HB ALA 118 -7.800 -15.872 -7.830 482 HB2 ALA 118 1HB ALA 118 -9.462 -16.413 -8.066 483 HB3 ALA 118 2HB ALA 118 -9.072 -15.299 -6.750 484 H GLU 119 H GLU 119 -10.481 -13.530 -6.703 485 HA GLU 119 HA GLU 119 -13.062 -13.988 -7.653 486 HB2 GLU 119 2HB GLU 119 -13.828 -12.840 -5.635 487 HB3 GLU 119 1HB GLU 119 -12.478 -13.903 -5.265 488 HG2 GLU 119 2HG GLU 119 -10.990 -11.845 -5.383 489 HG3 GLU 119 1HG GLU 119 -12.459 -10.884 -5.441 490 H THR 120 H THR 120 -11.054 -11.103 -8.035 491 HA THR 120 HA THR 120 -13.132 -9.222 -8.428 492 HB THR 120 HB THR 120 -10.739 -8.603 -7.898 493 HG1 THR 120 HG1 THR 120 -12.307 -7.344 -9.861 494 HG21 THR 120 3HG2 THR 120 -9.174 -8.287 -9.773 495 HG22 THR 120 1HG2 THR 120 -10.325 -9.048 -10.869 496 HG23 THR 120 2HG2 THR 120 -9.593 -9.985 -9.570 497 H GLU 121 H GLU 121 -11.892 -11.638 -10.511 498 HA GLU 121 HA GLU 121 -12.464 -10.685 -13.058 499 HB2 GLU 121 2HB GLU 121 -11.251 -12.797 -12.448 500 HB3 GLU 121 1HB GLU 121 -12.799 -13.532 -12.055 501 HG2 GLU 121 2HG GLU 121 -12.213 -14.317 -14.212 502 HG3 GLU 121 1HG GLU 121 -13.482 -13.126 -14.464 503 H ARG 122 H ARG 122 -14.721 -11.858 -10.573 504 HA ARG 122 HA ARG 122 -17.048 -12.248 -12.100 505 HB2 ARG 122 2HB ARG 122 -16.531 -11.555 -9.204 506 HB3 ARG 122 1HB ARG 122 -18.175 -11.422 -9.800 507 HG2 ARG 122 2HG ARG 122 -17.859 -13.539 -8.673 508 HG3 ARG 122 1HG ARG 122 -18.165 -13.821 -10.385 509 HD2 ARG 122 2HD ARG 122 -15.354 -13.776 -9.254 510 HD3 ARG 122 1HD ARG 122 -16.350 -15.234 -9.217 511 HE ARG 122 HE ARG 122 -16.372 -14.267 -11.834 512 HH11 ARG 122 1HH1 ARG 122 -14.004 -15.628 -9.592 513 HH12 ARG 122 2HH1 ARG 122 -13.034 -16.313 -10.855 514 HH21 ARG 122 1HH2 ARG 122 -15.117 -15.209 -13.476 515 HH22 ARG 122 2HH2 ARG 122 -13.668 -16.071 -13.062 516 H ASN 123 H ASN 123 -15.585 -9.307 -10.841 517 HA ASN 123 HA ASN 123 -17.633 -7.557 -11.987 518 HB2 ASN 123 2HB ASN 123 -16.612 -6.859 -9.861 519 HB3 ASN 123 1HB ASN 123 -14.998 -6.977 -10.550 520 HD21 ASN 123 1HD2 ASN 123 -14.653 -4.784 -9.876 521 HD22 ASN 123 2HD2 ASN 123 -15.296 -3.466 -10.786 522 H ALA 124 H ALA 124 -17.590 -7.326 -14.140 523 HA ALA 124 HA ALA 124 -15.296 -7.685 -15.810 524 HB1 ALA 124 3HB ALA 124 -17.971 -6.385 -16.471 525 HB2 ALA 124 1HB ALA 124 -17.571 -8.093 -16.674 526 HB3 ALA 124 2HB ALA 124 -16.745 -6.872 -17.644 527 H ARG 125 H ARG 125 -13.699 -6.327 -15.018 528 HA ARG 125 HA ARG 125 -14.152 -3.405 -15.079 529 HB2 ARG 125 2HB ARG 125 -14.107 -4.213 -12.760 530 HB3 ARG 125 1HB ARG 125 -12.587 -5.045 -13.038 531 HG2 ARG 125 2HG ARG 125 -12.433 -2.881 -11.741 532 HG3 ARG 125 1HG ARG 125 -11.366 -2.992 -13.142 533 HD2 ARG 125 2HD ARG 125 -12.527 -1.377 -14.328 534 HD3 ARG 125 1HD ARG 125 -14.060 -1.721 -13.527 535 HE ARG 125 HE ARG 125 -13.179 -0.573 -11.554 536 HH11 ARG 125 1HH1 ARG 125 -11.658 0.156 -14.637 537 HH12 ARG 125 2HH1 ARG 125 -11.119 1.723 -14.123 538 HH21 ARG 125 1HH2 ARG 125 -12.523 1.496 -10.926 539 HH22 ARG 125 2HH2 ARG 125 -11.609 2.482 -12.026 540 H THR 126 H THR 126 -13.067 -2.694 -16.786 541 HA THR 126 HA THR 126 -10.523 -3.604 -17.691 542 HB THR 126 HB THR 126 -11.787 -0.850 -18.161 543 HG1 THR 126 HG1 THR 126 -13.276 -2.385 -18.847 544 HG21 THR 126 3HG2 THR 126 -9.812 -2.440 -19.852 545 HG22 THR 126 1HG2 THR 126 -9.394 -1.049 -18.843 546 HG23 THR 126 2HG2 THR 126 -10.456 -0.845 -20.235 547 H1 SER 58 1H SER 58 13.414 -29.983 0.449 548 H2 SER 58 2H SER 58 14.451 -28.739 -0.031 549 H3 SER 58 3H SER 58 12.966 -28.951 -0.808 550 HA SER 58 HA SER 58 11.758 -28.349 1.105 551 HB2 SER 58 2HB SER 58 14.465 -28.106 2.488 552 HB3 SER 58 1HB SER 58 12.903 -27.751 3.223 553 HG SER 58 HG SER 58 13.861 -29.889 3.651 554 H HIS 59 H HIS 59 11.004 -26.361 0.849 555 HA HIS 59 HA HIS 59 10.733 -24.212 0.298 556 HB2 HIS 59 2HB HIS 59 13.540 -23.863 1.433 557 HB3 HIS 59 1HB HIS 59 12.468 -22.535 1.001 558 HD1 HIS 59 HD1 HIS 59 11.155 -21.633 2.925 559 HD2 HIS 59 HD2 HIS 59 12.192 -25.619 3.503 560 HE1 HIS 59 HE1 HIS 59 10.326 -22.228 5.222 561 HE2 HIS 59 HE2 HIS 59 10.859 -24.673 5.492 562 H MET 60 H MET 60 10.752 -25.255 -1.904 563 HA MET 60 HA MET 60 12.615 -23.728 -3.632 564 HB2 MET 60 2HB MET 60 11.846 -25.209 -5.509 565 HB3 MET 60 1HB MET 60 12.711 -26.063 -4.248 566 HG2 MET 60 2HG MET 60 10.609 -26.973 -3.397 567 HG3 MET 60 1HG MET 60 9.703 -26.076 -4.614 568 HE1 MET 60 3HE MET 60 9.878 -26.607 -7.278 569 HE2 MET 60 1HE MET 60 10.896 -27.884 -7.941 570 HE3 MET 60 2HE MET 60 11.634 -26.449 -7.235 571 H ALA 61 H ALA 61 11.705 -21.762 -3.575 572 HA ALA 61 HA ALA 61 9.205 -21.295 -4.997 573 HB1 ALA 61 3HB ALA 61 8.240 -19.881 -3.202 574 HB2 ALA 61 1HB ALA 61 9.567 -20.324 -2.124 575 HB3 ALA 61 2HB ALA 61 8.419 -21.551 -2.663 576 H MET 62 H MET 62 9.457 -19.486 -6.236 577 HA MET 62 HA MET 62 11.571 -17.513 -5.533 578 HB2 MET 62 2HB MET 62 12.034 -17.226 -7.949 579 HB3 MET 62 1HB MET 62 12.352 -18.870 -7.421 580 HG2 MET 62 2HG MET 62 10.176 -19.568 -8.406 581 HG3 MET 62 1HG MET 62 9.950 -17.927 -9.010 582 HE1 MET 62 3HE MET 62 11.662 -16.799 -10.862 583 HE2 MET 62 1HE MET 62 13.016 -17.687 -11.563 584 HE3 MET 62 2HE MET 62 13.051 -17.224 -9.863 585 H LYS 63 H LYS 63 8.466 -18.087 -7.111 586 HA LYS 63 HA LYS 63 6.676 -16.853 -7.655 587 HB2 LYS 63 2HB LYS 63 7.622 -15.013 -5.424 588 HB3 LYS 63 1HB LYS 63 6.019 -14.981 -6.150 589 HG2 LYS 63 2HG LYS 63 5.629 -17.303 -5.320 590 HG3 LYS 63 1HG LYS 63 7.216 -17.262 -4.545 591 HD2 LYS 63 2HD LYS 63 5.376 -16.791 -2.948 592 HD3 LYS 63 1HD LYS 63 6.506 -15.441 -3.081 593 HE2 LYS 63 2HE LYS 63 4.115 -14.734 -3.009 594 HE3 LYS 63 1HE LYS 63 4.943 -14.211 -4.476 595 HZ1 LYS 63 3HZ LYS 63 3.099 -16.532 -4.232 596 HZ2 LYS 63 1HZ LYS 63 3.934 -16.111 -5.639 597 HZ3 LYS 63 2HZ LYS 63 2.767 -15.070 -5.004 598 HA PRO 64 HA PRO 64 8.958 -14.197 -10.791 599 HB2 PRO 64 2HB PRO 64 6.164 -14.682 -11.878 600 HB3 PRO 64 1HB PRO 64 7.713 -14.611 -12.754 601 HG2 PRO 64 2HG PRO 64 6.645 -16.965 -12.215 602 HG3 PRO 64 1HG PRO 64 8.396 -16.720 -12.006 603 HD2 PRO 64 2HD PRO 64 6.261 -16.929 -9.911 604 HD3 PRO 64 1HD PRO 64 7.957 -17.461 -9.855 605 HA PRO 65 HA PRO 65 7.041 -10.639 -8.597 606 HB2 PRO 65 2HB PRO 65 9.154 -9.106 -10.098 607 HB3 PRO 65 1HB PRO 65 8.809 -9.149 -8.354 608 HG2 PRO 65 2HG PRO 65 10.943 -10.398 -9.275 609 HG3 PRO 65 1HG PRO 65 9.929 -11.178 -8.034 610 HD2 PRO 65 2HD PRO 65 9.932 -11.660 -11.025 611 HD3 PRO 65 1HD PRO 65 9.986 -12.848 -9.699 612 H GLY 66 H GLY 66 7.661 -10.837 -12.061 613 HA2 GLY 66 2HA GLY 66 5.784 -8.725 -12.767 614 HA3 GLY 66 1HA GLY 66 6.627 -9.807 -13.868 615 H ALA 67 H ALA 67 4.289 -10.139 -11.191 616 HA ALA 67 HA ALA 67 2.714 -12.075 -12.796 617 HB1 ALA 67 3HB ALA 67 2.901 -11.785 -9.779 618 HB2 ALA 67 1HB ALA 67 3.659 -13.049 -10.751 619 HB3 ALA 67 2HB ALA 67 1.901 -12.951 -10.648 620 H GLN 68 H GLN 68 1.403 -10.662 -13.816 621 HA GLN 68 HA GLN 68 -0.004 -8.497 -12.442 622 HB2 GLN 68 2HB GLN 68 0.117 -9.388 -15.347 623 HB3 GLN 68 1HB GLN 68 -0.888 -8.053 -14.795 624 HG2 GLN 68 2HG GLN 68 1.044 -7.049 -15.696 625 HG3 GLN 68 1HG GLN 68 1.242 -6.951 -13.951 626 HE21 GLN 68 1HE2 GLN 68 1.829 -9.872 -15.869 627 HE22 GLN 68 2HE2 GLN 68 3.536 -9.884 -15.626 628 H GLY 69 H GLY 69 -2.437 -8.290 -13.501 629 HA2 GLY 69 2HA GLY 69 -3.869 -10.874 -13.239 630 HA3 GLY 69 1HA GLY 69 -4.376 -9.467 -12.309 631 H SER 70 H SER 70 -6.224 -10.566 -13.880 632 HA SER 70 HA SER 70 -6.369 -9.731 -16.589 633 HB2 SER 70 2HB SER 70 -7.662 -11.621 -15.629 634 HB3 SER 70 1HB SER 70 -8.614 -10.495 -14.664 635 HG SER 70 HG SER 70 -9.835 -10.824 -16.411 636 H GLN 71 H GLN 71 -7.983 -8.463 -13.660 637 HA GLN 71 HA GLN 71 -9.122 -6.148 -14.884 638 HB2 GLN 71 2HB GLN 71 -8.823 -7.132 -12.034 639 HB3 GLN 71 1HB GLN 71 -9.358 -5.485 -12.334 640 HG2 GLN 71 2HG GLN 71 -11.243 -6.994 -11.929 641 HG3 GLN 71 1HG GLN 71 -11.313 -6.286 -13.542 642 HE21 GLN 71 1HE2 GLN 71 -12.672 -7.927 -14.334 643 HE22 GLN 71 2HE2 GLN 71 -12.102 -9.527 -14.626 644 H SER 72 H SER 72 -7.418 -5.022 -15.936 645 HA SER 72 HA SER 72 -4.950 -4.343 -15.273 646 HB2 SER 72 2HB SER 72 -6.854 -2.325 -16.518 647 HB3 SER 72 1HB SER 72 -5.128 -2.517 -16.832 648 HG SER 72 HG SER 72 -7.299 -4.013 -17.761 649 H THR 73 H THR 73 -7.629 -2.088 -14.444 650 HA THR 73 HA THR 73 -6.243 -0.239 -12.948 651 HB THR 73 HB THR 73 -9.117 -1.128 -12.439 652 HG1 THR 73 HG1 THR 73 -8.828 -0.590 -14.608 653 HG21 THR 73 3HG2 THR 73 -7.802 1.576 -11.948 654 HG22 THR 73 1HG2 THR 73 -8.269 0.428 -10.686 655 HG23 THR 73 2HG2 THR 73 -9.504 1.189 -11.690 656 H TYR 74 H TYR 74 -7.488 -3.353 -11.817 657 HA TYR 74 HA TYR 74 -6.848 -2.861 -9.039 658 HB2 TYR 74 2HB TYR 74 -8.764 -4.323 -9.828 659 HB3 TYR 74 1HB TYR 74 -7.573 -5.507 -10.365 660 HD1 TYR 74 HD1 TYR 74 -7.514 -3.431 -7.268 661 HD2 TYR 74 HD2 TYR 74 -8.017 -7.343 -8.876 662 HE1 TYR 74 HE1 TYR 74 -7.521 -4.351 -5.014 663 HE2 TYR 74 HE2 TYR 74 -8.036 -8.268 -6.587 664 HH TYR 74 HH TYR 74 -8.389 -6.336 -3.840 665 H THR 75 H THR 75 -5.328 -4.328 -11.811 666 HA THR 75 HA THR 75 -3.084 -5.529 -10.481 667 HB THR 75 HB THR 75 -3.470 -4.685 -13.393 668 HG1 THR 75 HG1 THR 75 -4.907 -6.340 -12.557 669 HG21 THR 75 3HG2 THR 75 -1.629 -6.235 -13.937 670 HG22 THR 75 1HG2 THR 75 -1.368 -6.553 -12.221 671 HG23 THR 75 2HG2 THR 75 -1.057 -4.945 -12.879 672 H ASP 76 H ASP 76 -3.930 -2.342 -11.667 673 HA ASP 76 HA ASP 76 -1.365 -1.123 -11.637 674 HB2 ASP 76 2HB ASP 76 -3.336 -0.103 -12.789 675 HB3 ASP 76 1HB ASP 76 -4.128 0.141 -11.236 676 H LEU 77 H LEU 77 -4.019 -1.435 -9.306 677 HA LEU 77 HA LEU 77 -2.895 -0.141 -7.098 678 HB2 LEU 77 2HB LEU 77 -5.258 -0.732 -7.234 679 HB3 LEU 77 1HB LEU 77 -4.872 -2.444 -7.250 680 HG LEU 77 HG LEU 77 -4.116 -2.333 -4.904 681 HD11 LEU 77 1HD1 LEU 77 -4.854 0.606 -4.942 682 HD12 LEU 77 2HD1 LEU 77 -3.223 -0.056 -4.823 683 HD13 LEU 77 3HD1 LEU 77 -4.380 -0.336 -3.526 684 HD21 LEU 77 3HD2 LEU 77 -6.845 -1.078 -5.278 685 HD22 LEU 77 1HD2 LEU 77 -6.274 -1.929 -3.840 686 HD23 LEU 77 2HD2 LEU 77 -6.471 -2.801 -5.355 687 H LEU 78 H LEU 78 -2.696 -3.594 -8.068 688 HA LEU 78 HA LEU 78 -1.046 -4.623 -6.056 689 HB2 LEU 78 2HB LEU 78 -2.136 -5.966 -7.864 690 HB3 LEU 78 1HB LEU 78 -1.030 -5.280 -9.031 691 HG LEU 78 HG LEU 78 0.874 -6.432 -7.866 692 HD11 LEU 78 1HD1 LEU 78 -0.055 -6.633 -5.615 693 HD12 LEU 78 2HD1 LEU 78 0.440 -8.206 -6.231 694 HD13 LEU 78 3HD1 LEU 78 -1.274 -7.774 -6.193 695 HD21 LEU 78 3HD2 LEU 78 -1.350 -8.270 -8.809 696 HD22 LEU 78 1HD2 LEU 78 0.364 -8.686 -8.707 697 HD23 LEU 78 2HD2 LEU 78 -0.174 -7.445 -9.835 698 H SER 79 H SER 79 -0.242 -2.841 -8.999 699 HA SER 79 HA SER 79 2.585 -3.024 -8.793 700 HB2 SER 79 2HB SER 79 0.840 -1.079 -10.359 701 HB3 SER 79 1HB SER 79 2.577 -1.311 -10.591 702 HG SER 79 HG SER 79 0.499 -2.795 -11.522 703 H VAL 80 H VAL 80 0.166 -0.700 -7.580 704 HA VAL 80 HA VAL 80 1.994 1.357 -6.817 705 HB VAL 80 HB VAL 80 -0.785 0.761 -5.676 706 HG11 VAL 80 1HG1 VAL 80 0.875 3.307 -5.455 707 HG12 VAL 80 2HG1 VAL 80 0.509 2.189 -4.138 708 HG13 VAL 80 3HG1 VAL 80 -0.789 3.110 -4.899 709 HG21 VAL 80 3HG2 VAL 80 -1.583 2.557 -7.169 710 HG22 VAL 80 1HG2 VAL 80 -0.888 1.221 -8.080 711 HG23 VAL 80 2HG2 VAL 80 0.032 2.706 -7.860 712 H ILE 81 H ILE 81 0.570 -1.452 -5.109 713 HA ILE 81 HA ILE 81 1.634 -1.152 -2.578 714 HB ILE 81 HB ILE 81 1.500 -3.815 -4.066 715 HG12 ILE 81 2HG1 ILE 81 -0.701 -2.817 -4.254 716 HG13 ILE 81 1HG1 ILE 81 -0.794 -4.078 -3.042 717 HG21 ILE 81 1HG2 ILE 81 1.181 -4.789 -1.809 718 HG22 ILE 81 2HG2 ILE 81 1.430 -3.194 -1.097 719 HG23 ILE 81 3HG2 ILE 81 2.740 -3.980 -1.983 720 HD11 ILE 81 3HD1 ILE 81 -2.101 -2.168 -2.390 721 HD12 ILE 81 1HD1 ILE 81 -0.705 -1.103 -2.533 722 HD13 ILE 81 2HD1 ILE 81 -0.743 -2.348 -1.282 723 H GLU 82 H GLU 82 3.149 -2.434 -5.476 724 HA GLU 82 HA GLU 82 5.652 -3.076 -4.236 725 HB2 GLU 82 2HB GLU 82 4.727 -3.047 -7.133 726 HB3 GLU 82 1HB GLU 82 6.334 -3.575 -6.642 727 HG2 GLU 82 2HG GLU 82 3.689 -4.835 -5.873 728 HG3 GLU 82 1HG GLU 82 4.920 -5.515 -6.934 729 H GLU 83 H GLU 83 4.463 -0.274 -6.057 730 HA GLU 83 HA GLU 83 6.995 0.969 -6.462 731 HB2 GLU 83 2HB GLU 83 4.206 2.186 -6.238 732 HB3 GLU 83 1HB GLU 83 5.640 3.113 -6.669 733 HG2 GLU 83 2HG GLU 83 4.390 0.855 -8.249 734 HG3 GLU 83 1HG GLU 83 4.423 2.562 -8.677 735 H MET 84 H MET 84 4.644 0.980 -3.839 736 HA MET 84 HA MET 84 5.956 2.879 -2.176 737 HB2 MET 84 2HB MET 84 3.876 0.730 -1.560 738 HB3 MET 84 1HB MET 84 4.430 1.920 -0.385 739 HG2 MET 84 2HG MET 84 3.615 3.730 -1.882 740 HG3 MET 84 1HG MET 84 2.982 2.504 -2.977 741 HE1 MET 84 3HE MET 84 0.920 0.847 -2.315 742 HE2 MET 84 1HE MET 84 0.121 0.898 -0.744 743 HE3 MET 84 2HE MET 84 1.778 0.307 -0.869 744 H GLY 85 H GLY 85 5.775 -0.681 -2.193 745 HA2 GLY 85 2HA GLY 85 7.440 -1.314 -0.056 746 HA3 GLY 85 1HA GLY 85 7.127 -2.349 -1.432 747 H LYS 86 H LYS 86 8.266 -0.265 -3.222 748 HA LYS 86 HA LYS 86 11.024 -1.135 -3.263 749 HB2 LYS 86 2HB LYS 86 9.704 -0.861 -5.319 750 HB3 LYS 86 1HB LYS 86 9.407 0.830 -4.940 751 HG2 LYS 86 2HG LYS 86 11.899 1.229 -5.191 752 HG3 LYS 86 1HG LYS 86 12.036 -0.434 -5.782 753 HD2 LYS 86 2HD LYS 86 10.457 0.081 -7.625 754 HD3 LYS 86 1HD LYS 86 10.283 1.731 -7.021 755 HE2 LYS 86 2HE LYS 86 12.714 2.090 -7.445 756 HE3 LYS 86 1HE LYS 86 12.799 0.475 -8.152 757 HZ1 LYS 86 3HZ LYS 86 11.190 1.155 -9.824 758 HZ2 LYS 86 1HZ LYS 86 12.534 2.177 -9.849 759 HZ3 LYS 86 2HZ LYS 86 11.092 2.699 -9.141 760 H GLU 87 H GLU 87 9.257 1.929 -2.790 761 HA GLU 87 HA GLU 87 11.698 3.443 -2.325 762 HB2 GLU 87 2HB GLU 87 8.796 4.307 -2.553 763 HB3 GLU 87 1HB GLU 87 10.129 5.423 -2.257 764 HG2 GLU 87 2HG GLU 87 11.180 4.522 -4.415 765 HG3 GLU 87 1HG GLU 87 9.634 3.730 -4.719 766 H ILE 88 H ILE 88 10.143 1.509 -0.260 767 HA ILE 88 HA ILE 88 9.969 3.148 2.086 768 HB ILE 88 HB ILE 88 10.311 0.126 1.782 769 HG12 ILE 88 2HG1 ILE 88 7.865 1.800 2.510 770 HG13 ILE 88 1HG1 ILE 88 8.157 1.047 0.951 771 HG21 ILE 88 1HG2 ILE 88 9.737 1.669 4.340 772 HG22 ILE 88 2HG2 ILE 88 11.222 0.790 3.973 773 HG23 ILE 88 3HG2 ILE 88 9.708 -0.089 4.175 774 HD11 ILE 88 3HD1 ILE 88 6.554 -0.206 2.241 775 HD12 ILE 88 1HD1 ILE 88 7.712 -0.402 3.554 776 HD13 ILE 88 2HD1 ILE 88 8.013 -1.158 1.987 777 H ARG 89 H ARG 89 12.561 1.510 0.388 778 HA ARG 89 HA ARG 89 14.453 1.423 2.510 779 HB2 ARG 89 2HB ARG 89 15.149 1.369 -0.455 780 HB3 ARG 89 1HB ARG 89 16.110 0.747 0.881 781 HG2 ARG 89 2HG ARG 89 14.389 -0.957 1.331 782 HG3 ARG 89 1HG ARG 89 13.428 -0.333 -0.012 783 HD2 ARG 89 2HD ARG 89 15.318 -0.903 -1.568 784 HD3 ARG 89 1HD ARG 89 16.171 -1.636 -0.194 785 HE ARG 89 HE ARG 89 13.480 -2.590 -0.672 786 HH11 ARG 89 1HH1 ARG 89 16.880 -3.183 -1.390 787 HH12 ARG 89 2HH1 ARG 89 16.607 -4.849 -1.783 788 HH21 ARG 89 1HH2 ARG 89 13.160 -4.750 -1.102 789 HH22 ARG 89 2HH2 ARG 89 14.488 -5.737 -1.615 790 HA PRO 90 HA PRO 90 16.439 5.508 0.743 791 HB2 PRO 90 2HB PRO 90 14.946 7.065 -1.013 792 HB3 PRO 90 1HB PRO 90 16.176 5.891 -1.518 793 HG2 PRO 90 2HG PRO 90 13.203 5.581 -1.451 794 HG3 PRO 90 1HG PRO 90 14.369 5.019 -2.669 795 HD2 PRO 90 2HD PRO 90 13.303 3.357 -0.806 796 HD3 PRO 90 1HD PRO 90 14.943 3.137 -1.451 797 H THR 91 H THR 91 12.892 5.474 1.178 798 HA THR 91 HA THR 91 12.540 7.834 2.672 799 HB THR 91 HB THR 91 11.139 5.137 2.935 800 HG1 THR 91 HG1 THR 91 9.989 5.885 1.329 801 HG21 THR 91 3HG2 THR 91 10.314 7.788 4.188 802 HG22 THR 91 1HG2 THR 91 10.810 6.339 5.069 803 HG23 THR 91 2HG2 THR 91 9.314 6.337 4.135 804 H TYR 92 H TYR 92 13.403 4.578 3.766 805 HA TYR 92 HA TYR 92 13.802 5.152 6.514 806 HB2 TYR 92 2HB TYR 92 13.305 2.888 5.640 807 HB3 TYR 92 1HB TYR 92 14.842 2.858 4.783 808 HD1 TYR 92 HD2 TYR 92 13.481 3.276 8.268 809 HD2 TYR 92 HD1 TYR 92 16.649 1.760 5.847 810 HE1 TYR 92 HE2 TYR 92 14.520 2.287 10.244 811 HE2 TYR 92 HE1 TYR 92 17.694 0.762 7.831 812 HH TYR 92 HH TYR 92 17.701 1.116 10.259 813 H ALA 93 H ALA 93 15.762 5.673 3.703 814 HA ALA 93 HA ALA 93 18.302 5.859 5.156 815 HB1 ALA 93 3HB ALA 93 18.251 4.870 2.902 816 HB2 ALA 93 1HB ALA 93 19.267 6.311 2.939 817 HB3 ALA 93 2HB ALA 93 17.650 6.388 2.230 818 H GLY 94 H GLY 94 15.678 7.846 4.885 819 HA2 GLY 94 2HA GLY 94 15.509 9.979 5.780 820 HA3 GLY 94 1HA GLY 94 17.225 10.240 5.541 821 H SER 95 H SER 95 16.135 9.101 2.602 822 HA SER 95 HA SER 95 16.075 11.617 1.310 823 HB2 SER 95 2HB SER 95 14.983 8.972 0.248 824 HB3 SER 95 1HB SER 95 15.427 10.382 -0.713 825 HG SER 95 HG SER 95 17.436 9.547 0.944 826 H LYS 96 H LYS 96 14.566 13.047 2.030 827 HA LYS 96 HA LYS 96 11.910 12.674 2.711 828 HB2 LYS 96 2HB LYS 96 11.603 15.121 2.224 829 HB3 LYS 96 1HB LYS 96 13.004 14.754 3.222 830 HG2 LYS 96 2HG LYS 96 14.524 15.148 1.433 831 HG3 LYS 96 1HG LYS 96 13.238 15.200 0.233 832 HD2 LYS 96 2HD LYS 96 13.373 17.234 2.485 833 HD3 LYS 96 1HD LYS 96 14.313 17.435 1.007 834 HE2 LYS 96 2HE LYS 96 12.231 18.703 0.852 835 HE3 LYS 96 1HE LYS 96 12.231 17.399 -0.332 836 HZ1 LYS 96 3HZ LYS 96 10.682 16.182 0.954 837 HZ2 LYS 96 1HZ LYS 96 10.108 17.771 0.910 838 HZ3 LYS 96 2HZ LYS 96 10.870 17.191 2.301 839 H SER 97 H SER 97 13.278 13.108 -0.493 840 HA SER 97 HA SER 97 10.960 13.682 -1.967 841 HB2 SER 97 2HB SER 97 13.198 14.026 -2.893 842 HB3 SER 97 1HB SER 97 13.545 12.299 -2.811 843 HG SER 97 HG SER 97 12.943 12.745 -4.891 844 H ALA 98 H ALA 98 12.578 10.564 -1.322 845 HA ALA 98 HA ALA 98 10.748 8.872 -2.645 846 HB1 ALA 98 3HB ALA 98 13.020 8.197 -2.028 847 HB2 ALA 98 1HB ALA 98 11.828 7.070 -1.379 848 HB3 ALA 98 2HB ALA 98 12.593 8.259 -0.319 849 H MET 99 H MET 99 10.874 10.151 0.645 850 HA MET 99 HA MET 99 8.939 8.465 1.835 851 HB2 MET 99 2HB MET 99 10.636 9.663 3.119 852 HB3 MET 99 1HB MET 99 9.989 11.213 2.617 853 HG2 MET 99 2HG MET 99 8.375 9.268 4.284 854 HG3 MET 99 1HG MET 99 9.473 10.445 4.998 855 HE1 MET 99 3HE MET 99 9.262 13.057 4.621 856 HE2 MET 99 1HE MET 99 7.883 13.829 3.829 857 HE3 MET 99 2HE MET 99 9.039 12.904 2.876 858 H GLU 100 H GLU 100 8.668 11.650 0.276 859 HA GLU 100 HA GLU 100 5.842 11.889 0.885 860 HB2 GLU 100 2HB GLU 100 5.923 13.947 -0.489 861 HB3 GLU 100 1HB GLU 100 7.155 13.918 0.762 862 HG2 GLU 100 2HG GLU 100 8.779 13.133 -1.066 863 HG3 GLU 100 1HG GLU 100 7.525 13.581 -2.220 864 H ARG 101 H ARG 101 7.787 10.673 -1.810 865 HA ARG 101 HA ARG 101 5.595 10.201 -3.607 866 HB2 ARG 101 2HB ARG 101 8.384 8.989 -3.387 867 HB3 ARG 101 1HB ARG 101 7.249 8.534 -4.655 868 HG2 ARG 101 2HG ARG 101 7.243 10.805 -5.539 869 HG3 ARG 101 1HG ARG 101 8.252 11.365 -4.201 870 HD2 ARG 101 2HD ARG 101 9.514 11.024 -6.334 871 HD3 ARG 101 1HD ARG 101 10.134 10.059 -4.994 872 HE ARG 101 HE ARG 101 8.949 8.134 -5.968 873 HH11 ARG 101 1HH1 ARG 101 9.686 10.832 -8.149 874 HH12 ARG 101 2HH1 ARG 101 9.644 9.826 -9.563 875 HH21 ARG 101 1HH2 ARG 101 8.890 6.877 -7.797 876 HH22 ARG 101 2HH2 ARG 101 9.191 7.572 -9.358 877 H LEU 102 H LEU 102 6.993 8.510 -0.874 878 HA LEU 102 HA LEU 102 5.743 5.966 -1.239 879 HB2 LEU 102 2HB LEU 102 7.776 6.290 0.154 880 HB3 LEU 102 1HB LEU 102 6.869 7.287 1.275 881 HG LEU 102 HG LEU 102 5.536 5.326 1.977 882 HD11 LEU 102 1HD1 LEU 102 6.091 3.068 1.235 883 HD12 LEU 102 2HD1 LEU 102 7.225 3.726 0.053 884 HD13 LEU 102 3HD1 LEU 102 5.498 4.062 -0.093 885 HD21 LEU 102 3HD2 LEU 102 7.616 5.811 3.182 886 HD22 LEU 102 1HD2 LEU 102 8.511 4.764 2.078 887 HD23 LEU 102 2HD2 LEU 102 7.283 4.081 3.150 888 H LYS 103 H LYS 103 4.941 8.880 0.686 889 HA LYS 103 HA LYS 103 2.442 7.930 1.643 890 HB2 LYS 103 2HB LYS 103 3.381 10.805 1.313 891 HB3 LYS 103 1HB LYS 103 1.908 10.321 2.147 892 HG2 LYS 103 2HG LYS 103 3.422 8.935 3.692 893 HG3 LYS 103 1HG LYS 103 4.774 9.822 2.989 894 HD2 LYS 103 2HD LYS 103 2.430 10.976 4.546 895 HD3 LYS 103 1HD LYS 103 4.113 10.901 5.065 896 HE2 LYS 103 2HE LYS 103 3.073 12.544 2.729 897 HE3 LYS 103 1HE LYS 103 3.480 13.168 4.323 898 HZ1 LYS 103 3HZ LYS 103 5.220 13.425 2.573 899 HZ2 LYS 103 1HZ LYS 103 5.455 11.753 2.636 900 HZ3 LYS 103 2HZ LYS 103 5.731 12.701 4.012 901 H ARG 104 H ARG 104 3.327 9.789 -1.312 902 HA ARG 104 HA ARG 104 0.657 10.252 -2.159 903 HB2 ARG 104 2HB ARG 104 2.572 11.474 -3.188 904 HB3 ARG 104 1HB ARG 104 3.116 9.984 -3.954 905 HG2 ARG 104 2HG ARG 104 0.962 9.885 -5.223 906 HG3 ARG 104 1HG ARG 104 0.478 11.407 -4.485 907 HD2 ARG 104 2HD ARG 104 2.369 12.546 -5.614 908 HD3 ARG 104 1HD ARG 104 2.844 11.009 -6.353 909 HE ARG 104 HE ARG 104 0.118 11.616 -6.897 910 HH11 ARG 104 1HH1 ARG 104 3.338 12.515 -8.000 911 HH12 ARG 104 2HH1 ARG 104 2.789 12.978 -9.575 912 HH21 ARG 104 1HH2 ARG 104 -0.575 12.217 -8.965 913 HH22 ARG 104 2HH2 ARG 104 0.572 12.812 -10.122 914 H GLY 105 H GLY 105 2.833 7.508 -2.486 915 HA2 GLY 105 2HA GLY 105 1.410 5.901 -4.263 916 HA3 GLY 105 1HA GLY 105 2.424 5.317 -2.952 917 H ILE 106 H ILE 106 1.074 6.275 -0.764 918 HA ILE 106 HA ILE 106 -1.087 4.425 -0.483 919 HB ILE 106 HB ILE 106 0.343 6.365 1.334 920 HG12 ILE 106 2HG1 ILE 106 -0.155 3.365 1.420 921 HG13 ILE 106 1HG1 ILE 106 1.293 4.137 0.801 922 HG21 ILE 106 1HG2 ILE 106 -1.076 5.776 3.256 923 HG22 ILE 106 2HG2 ILE 106 -2.166 4.891 2.189 924 HG23 ILE 106 3HG2 ILE 106 -2.008 6.639 2.027 925 HD11 ILE 106 3HD1 ILE 106 1.803 3.294 2.907 926 HD12 ILE 106 1HD1 ILE 106 0.348 3.980 3.631 927 HD13 ILE 106 2HD1 ILE 106 1.649 5.036 3.098 928 H ILE 107 H ILE 107 -0.908 7.925 -0.923 929 HA ILE 107 HA ILE 107 -3.646 8.537 -0.468 930 HB ILE 107 HB ILE 107 -1.544 9.923 -2.200 931 HG12 ILE 107 2HG1 ILE 107 -2.638 10.671 0.554 932 HG13 ILE 107 1HG1 ILE 107 -1.105 9.862 0.272 933 HG21 ILE 107 1HG2 ILE 107 -4.291 10.983 -1.445 934 HG22 ILE 107 2HG2 ILE 107 -3.759 10.534 -3.066 935 HG23 ILE 107 3HG2 ILE 107 -3.022 11.911 -2.250 936 HD11 ILE 107 3HD1 ILE 107 -0.748 12.191 0.718 937 HD12 ILE 107 1HD1 ILE 107 -1.830 12.656 -0.594 938 HD13 ILE 107 2HD1 ILE 107 -0.306 11.839 -0.952 939 H HIS 108 H HIS 108 -1.820 7.550 -3.284 940 HA HIS 108 HA HIS 108 -3.898 7.606 -5.232 941 HB2 HIS 108 2HB HIS 108 -1.487 7.683 -5.819 942 HB3 HIS 108 1HB HIS 108 -1.265 6.060 -5.176 943 HD1 HIS 108 HD1 HIS 108 -0.517 5.019 -7.348 944 HD2 HIS 108 HD2 HIS 108 -4.195 6.907 -7.676 945 HE1 HIS 108 HE1 HIS 108 -1.421 4.344 -9.580 946 HE2 HIS 108 HE2 HIS 108 -3.552 5.636 -9.825 947 H ALA 109 H ALA 109 -2.483 5.008 -3.242 948 HA ALA 109 HA ALA 109 -3.986 2.876 -4.378 949 HB1 ALA 109 3HB ALA 109 -1.839 2.525 -3.252 950 HB2 ALA 109 1HB ALA 109 -3.101 1.550 -2.504 951 HB3 ALA 109 2HB ALA 109 -2.539 3.026 -1.712 952 H ARG 110 H ARG 110 -4.504 5.017 -1.623 953 HA ARG 110 HA ARG 110 -6.639 3.695 -0.323 954 HB2 ARG 110 2HB ARG 110 -5.137 5.694 0.430 955 HB3 ARG 110 1HB ARG 110 -6.253 6.729 -0.421 956 HG2 ARG 110 2HG ARG 110 -6.872 4.975 1.982 957 HG3 ARG 110 1HG ARG 110 -6.648 6.717 1.999 958 HD2 ARG 110 2HD ARG 110 -8.703 6.935 0.571 959 HD3 ARG 110 1HD ARG 110 -8.942 5.196 0.713 960 HE ARG 110 HE ARG 110 -9.817 7.118 2.519 961 HH11 ARG 110 1HH1 ARG 110 -8.069 4.046 2.776 962 HH12 ARG 110 2HH1 ARG 110 -8.675 3.723 4.365 963 HH21 ARG 110 1HH2 ARG 110 -10.625 6.618 4.544 964 HH22 ARG 110 2HH2 ARG 110 -10.118 5.175 5.364 965 H ALA 111 H ALA 111 -6.523 6.085 -2.936 966 HA ALA 111 HA ALA 111 -9.320 6.448 -3.296 967 HB1 ALA 111 3HB ALA 111 -8.692 7.528 -5.414 968 HB2 ALA 111 1HB ALA 111 -7.044 6.907 -5.254 969 HB3 ALA 111 2HB ALA 111 -7.665 8.080 -4.091 970 H LEU 112 H LEU 112 -6.896 4.372 -4.885 971 HA LEU 112 HA LEU 112 -8.481 3.256 -6.910 972 HB2 LEU 112 2HB LEU 112 -6.068 2.111 -5.456 973 HB3 LEU 112 1HB LEU 112 -6.789 1.339 -6.859 974 HG LEU 112 HG LEU 112 -5.558 4.128 -6.884 975 HD11 LEU 112 1HD1 LEU 112 -3.667 3.123 -8.068 976 HD12 LEU 112 2HD1 LEU 112 -4.379 1.518 -7.884 977 HD13 LEU 112 3HD1 LEU 112 -3.850 2.419 -6.462 978 HD21 LEU 112 3HD2 LEU 112 -7.283 3.844 -8.607 979 HD22 LEU 112 1HD2 LEU 112 -6.495 2.372 -9.184 980 HD23 LEU 112 2HD2 LEU 112 -5.682 3.934 -9.334 981 H VAL 113 H VAL 113 -7.837 2.064 -3.592 982 HA VAL 113 HA VAL 113 -9.348 -0.315 -3.813 983 HB VAL 113 HB VAL 113 -8.763 1.220 -1.234 984 HG11 VAL 113 1HG1 VAL 113 -9.045 -1.001 -0.138 985 HG12 VAL 113 2HG1 VAL 113 -9.546 -1.683 -1.684 986 HG13 VAL 113 3HG1 VAL 113 -10.524 -0.436 -0.913 987 HG21 VAL 113 3HG2 VAL 113 -6.815 -0.238 -0.936 988 HG22 VAL 113 1HG2 VAL 113 -6.674 0.661 -2.446 989 HG23 VAL 113 2HG2 VAL 113 -7.148 -1.033 -2.476 990 H ARG 114 H ARG 114 -10.178 2.920 -2.523 991 HA ARG 114 HA ARG 114 -12.686 2.198 -1.427 992 HB2 ARG 114 2HB ARG 114 -11.331 4.171 -0.715 993 HB3 ARG 114 1HB ARG 114 -11.704 4.962 -2.241 994 HG2 ARG 114 2HG ARG 114 -13.110 5.856 -0.466 995 HG3 ARG 114 1HG ARG 114 -14.110 4.992 -1.633 996 HD2 ARG 114 2HD ARG 114 -14.228 3.058 -0.120 997 HD3 ARG 114 1HD ARG 114 -13.167 3.875 1.034 998 HE ARG 114 HE ARG 114 -15.317 5.567 0.625 999 HH11 ARG 114 1HH1 ARG 114 -14.852 2.318 1.926 1000 HH12 ARG 114 2HH1 ARG 114 -16.222 2.421 2.981 1001 HH21 ARG 114 1HH2 ARG 114 -17.118 5.675 2.008 1002 HH22 ARG 114 2HH2 ARG 114 -17.511 4.327 3.030 1003 H GLU 115 H GLU 115 -11.857 3.778 -4.514 1004 HA GLU 115 HA GLU 115 -14.553 4.236 -5.359 1005 HB2 GLU 115 2HB GLU 115 -11.957 4.195 -6.940 1006 HB3 GLU 115 1HB GLU 115 -13.505 4.739 -7.585 1007 HG2 GLU 115 2HG GLU 115 -13.586 6.558 -5.945 1008 HG3 GLU 115 1HG GLU 115 -12.089 5.986 -5.211 1009 H CYS 116 H CYS 116 -12.201 1.629 -5.926 1010 HA CYS 116 HA CYS 116 -13.959 0.186 -7.696 1011 HB2 CYS 116 2HB CYS 116 -11.509 -0.044 -7.847 1012 HB3 CYS 116 1HB CYS 116 -11.480 -0.804 -6.259 1013 HG CYS 116 HG CYS 116 -13.299 -2.877 -7.272 1014 H LEU 117 H LEU 117 -13.637 0.453 -4.240 1015 HA LEU 117 HA LEU 117 -15.090 -1.922 -3.553 1016 HB2 LEU 117 2HB LEU 117 -14.475 0.621 -2.022 1017 HB3 LEU 117 1HB LEU 117 -15.556 -0.585 -1.359 1018 HG LEU 117 HG LEU 117 -12.658 -1.150 -2.084 1019 HD11 LEU 117 1HD1 LEU 117 -12.211 -1.121 0.333 1020 HD12 LEU 117 2HD1 LEU 117 -13.870 -0.606 0.647 1021 HD13 LEU 117 3HD1 LEU 117 -12.766 0.453 -0.234 1022 HD21 LEU 117 3HD2 LEU 117 -12.978 -3.215 -0.805 1023 HD22 LEU 117 1HD2 LEU 117 -14.094 -3.133 -2.165 1024 HD23 LEU 117 2HD2 LEU 117 -14.673 -2.801 -0.531 1025 H ALA 118 H ALA 118 -16.025 1.357 -4.464 1026 HA ALA 118 HA ALA 118 -18.761 1.294 -3.882 1027 HB1 ALA 118 3HB ALA 118 -17.563 3.319 -4.610 1028 HB2 ALA 118 1HB ALA 118 -19.000 3.037 -5.597 1029 HB3 ALA 118 2HB ALA 118 -17.399 2.644 -6.232 1030 H GLU 119 H GLU 119 -17.084 0.208 -6.861 1031 HA GLU 119 HA GLU 119 -19.487 -0.910 -8.033 1032 HB2 GLU 119 2HB GLU 119 -18.011 -1.491 -9.912 1033 HB3 GLU 119 1HB GLU 119 -17.778 0.184 -9.424 1034 HG2 GLU 119 2HG GLU 119 -15.766 -0.542 -8.110 1035 HG3 GLU 119 1HG GLU 119 -15.960 -2.156 -8.782 1036 H THR 120 H THR 120 -17.058 -2.067 -5.869 1037 HA THR 120 HA THR 120 -16.829 -4.747 -6.778 1038 HB THR 120 HB THR 120 -15.292 -3.461 -5.048 1039 HG1 THR 120 HG1 THR 120 -15.840 -6.256 -4.852 1040 HG21 THR 120 3HG2 THR 120 -15.595 -4.139 -2.719 1041 HG22 THR 120 1HG2 THR 120 -17.075 -5.007 -3.122 1042 HG23 THR 120 2HG2 THR 120 -17.021 -3.248 -3.251 1043 H GLU 121 H GLU 121 -19.281 -3.178 -4.991 1044 HA GLU 121 HA GLU 121 -20.702 -5.059 -3.649 1045 HB2 GLU 121 2HB GLU 121 -21.424 -2.722 -3.982 1046 HB3 GLU 121 1HB GLU 121 -21.764 -3.054 -5.673 1047 HG2 GLU 121 2HG GLU 121 -23.850 -2.963 -4.502 1048 HG3 GLU 121 1HG GLU 121 -23.557 -4.643 -4.947 1049 H ARG 122 H ARG 122 -20.651 -4.663 -7.192 1050 HA ARG 122 HA ARG 122 -22.332 -6.750 -7.976 1051 HB2 ARG 122 2HB ARG 122 -21.307 -4.814 -9.343 1052 HB3 ARG 122 1HB ARG 122 -19.852 -5.791 -9.468 1053 HG2 ARG 122 2HG ARG 122 -21.101 -6.048 -11.494 1054 HG3 ARG 122 1HG ARG 122 -21.224 -7.569 -10.601 1055 HD2 ARG 122 2HD ARG 122 -23.384 -6.830 -11.620 1056 HD3 ARG 122 1HD ARG 122 -23.474 -6.999 -9.863 1057 HE ARG 122 HE ARG 122 -22.910 -4.355 -11.032 1058 HH11 ARG 122 1HH1 ARG 122 -25.191 -6.385 -9.286 1059 HH12 ARG 122 2HH1 ARG 122 -26.172 -5.043 -8.790 1060 HH21 ARG 122 1HH2 ARG 122 -24.171 -2.599 -10.312 1061 HH22 ARG 122 2HH2 ARG 122 -25.600 -2.907 -9.370 1062 H ASN 123 H ASN 123 -18.881 -6.671 -7.302 1063 HA ASN 123 HA ASN 123 -18.246 -9.282 -8.270 1064 HB2 ASN 123 2HB ASN 123 -16.667 -7.294 -8.163 1065 HB3 ASN 123 1HB ASN 123 -16.568 -7.524 -6.417 1066 HD21 ASN 123 1HD2 ASN 123 -15.243 -9.163 -5.644 1067 HD22 ASN 123 2HD2 ASN 123 -14.297 -10.186 -6.655 1068 H ALA 124 H ALA 124 -19.017 -7.941 -5.107 1069 HA ALA 124 HA ALA 124 -18.409 -10.284 -3.570 1070 HB1 ALA 124 3HB ALA 124 -18.479 -8.070 -2.504 1071 HB2 ALA 124 1HB ALA 124 -19.696 -9.123 -1.780 1072 HB3 ALA 124 2HB ALA 124 -20.180 -7.884 -2.941 1073 H ARG 125 H ARG 125 -19.408 -12.065 -4.360 1074 HA ARG 125 HA ARG 125 -22.261 -11.945 -5.183 1075 HB2 ARG 125 2HB ARG 125 -20.631 -11.906 -7.077 1076 HB3 ARG 125 1HB ARG 125 -19.932 -13.416 -6.511 1077 HG2 ARG 125 2HG ARG 125 -22.095 -14.553 -6.942 1078 HG3 ARG 125 1HG ARG 125 -22.755 -13.031 -7.549 1079 HD2 ARG 125 2HD ARG 125 -20.950 -13.016 -9.300 1080 HD3 ARG 125 1HD ARG 125 -20.446 -14.611 -8.729 1081 HE ARG 125 HE ARG 125 -22.839 -15.297 -9.304 1082 HH11 ARG 125 1HH1 ARG 125 -21.098 -12.812 -11.082 1083 HH12 ARG 125 2HH1 ARG 125 -21.975 -13.080 -12.551 1084 HH21 ARG 125 1HH2 ARG 125 -23.967 -15.652 -11.247 1085 HH22 ARG 125 2HH2 ARG 125 -23.601 -14.690 -12.646 1086 H THR 126 H THR 126 -23.022 -12.840 -3.300 1087 HA THR 126 HA THR 126 -22.014 -15.272 -2.138 1088 HB THR 126 HB THR 126 -24.659 -13.841 -1.568 1089 HG1 THR 126 HG1 THR 126 -22.113 -13.059 -1.089 1090 HG21 THR 126 3HG2 THR 126 -23.016 -15.716 0.183 1091 HG22 THR 126 1HG2 THR 126 -24.533 -16.140 -0.619 1092 HG23 THR 126 2HG2 THR 126 -24.515 -14.912 0.648 Start of MODEL 17 1 H1 SER 58 1H SER 58 -35.355 7.207 -17.956 2 H2 SER 58 2H SER 58 -34.188 8.344 -17.518 3 H3 SER 58 3H SER 58 -35.676 8.323 -16.731 4 HA SER 58 HA SER 58 -35.238 6.225 -15.756 5 HB2 SER 58 2HB SER 58 -33.873 5.263 -17.591 6 HB3 SER 58 1HB SER 58 -32.561 6.386 -17.227 7 HG SER 58 HG SER 58 -31.971 5.170 -15.616 8 H HIS 59 H HIS 59 -34.591 6.404 -13.616 9 HA HIS 59 HA HIS 59 -32.396 8.175 -12.856 10 HB2 HIS 59 2HB HIS 59 -33.701 9.388 -11.147 11 HB3 HIS 59 1HB HIS 59 -34.350 9.680 -12.754 12 HD1 HIS 59 HD1 HIS 59 -35.365 8.746 -9.420 13 HD2 HIS 59 HD2 HIS 59 -36.802 8.073 -13.253 14 HE1 HIS 59 HE1 HIS 59 -37.780 8.149 -9.128 15 HE2 HIS 59 HE2 HIS 59 -38.613 7.712 -11.467 16 H MET 60 H MET 60 -31.493 7.686 -10.888 17 HA MET 60 HA MET 60 -32.380 5.269 -9.444 18 HB2 MET 60 2HB MET 60 -29.532 5.905 -10.376 19 HB3 MET 60 1HB MET 60 -29.944 4.612 -9.255 20 HG2 MET 60 2HG MET 60 -30.855 4.777 -12.139 21 HG3 MET 60 1HG MET 60 -29.536 3.774 -11.522 22 HE1 MET 60 3HE MET 60 -32.322 1.109 -12.300 23 HE2 MET 60 1HE MET 60 -30.633 1.544 -12.547 24 HE3 MET 60 2HE MET 60 -31.912 2.546 -13.240 25 H ALA 61 H ALA 61 -31.745 5.251 -7.245 26 HA ALA 61 HA ALA 61 -31.378 7.837 -5.984 27 HB1 ALA 61 3HB ALA 61 -31.619 6.549 -3.864 28 HB2 ALA 61 1HB ALA 61 -31.640 5.040 -4.783 29 HB3 ALA 61 2HB ALA 61 -32.937 6.221 -4.987 30 H MET 62 H MET 62 -29.302 8.073 -7.184 31 HA MET 62 HA MET 62 -27.020 6.457 -6.489 32 HB2 MET 62 2HB MET 62 -27.251 7.383 -8.759 33 HB3 MET 62 1HB MET 62 -27.228 9.025 -8.122 34 HG2 MET 62 2HG MET 62 -25.070 8.492 -9.085 35 HG3 MET 62 1HG MET 62 -24.900 8.670 -7.341 36 HE1 MET 62 3HE MET 62 -22.743 7.324 -9.334 37 HE2 MET 62 1HE MET 62 -22.234 5.917 -8.408 38 HE3 MET 62 2HE MET 62 -22.433 7.474 -7.601 39 H LYS 63 H LYS 63 -26.775 6.652 -4.357 40 HA LYS 63 HA LYS 63 -25.234 8.901 -3.380 41 HB2 LYS 63 2HB LYS 63 -27.644 9.481 -2.840 42 HB3 LYS 63 1HB LYS 63 -27.765 7.990 -1.915 43 HG2 LYS 63 2HG LYS 63 -25.943 8.855 -0.408 44 HG3 LYS 63 1HG LYS 63 -26.004 10.386 -1.285 45 HD2 LYS 63 2HD LYS 63 -28.256 9.118 0.319 46 HD3 LYS 63 1HD LYS 63 -27.320 10.542 0.772 47 HE2 LYS 63 2HE LYS 63 -29.226 10.330 -1.589 48 HE3 LYS 63 1HE LYS 63 -29.525 11.182 -0.077 49 HZ1 LYS 63 3HZ LYS 63 -27.451 11.878 -2.089 50 HZ2 LYS 63 1HZ LYS 63 -27.666 12.659 -0.606 51 HZ3 LYS 63 2HZ LYS 63 -28.879 12.725 -1.776 52 HA PRO 64 HA PRO 64 -23.909 4.459 -2.459 53 HB2 PRO 64 2HB PRO 64 -21.195 5.727 -2.803 54 HB3 PRO 64 1HB PRO 64 -21.835 4.220 -3.494 55 HG2 PRO 64 2HG PRO 64 -21.544 6.365 -5.041 56 HG3 PRO 64 1HG PRO 64 -22.983 5.329 -5.220 57 HD2 PRO 64 2HD PRO 64 -22.728 7.979 -3.794 58 HD3 PRO 64 1HD PRO 64 -24.010 7.400 -4.887 59 HA PRO 65 HA PRO 65 -23.803 5.933 1.889 60 HB2 PRO 65 2HB PRO 65 -23.507 2.962 2.397 61 HB3 PRO 65 1HB PRO 65 -24.656 4.126 3.098 62 HG2 PRO 65 2HG PRO 65 -25.483 2.411 1.257 63 HG3 PRO 65 1HG PRO 65 -26.055 4.097 1.216 64 HD2 PRO 65 2HD PRO 65 -23.941 2.777 -0.481 65 HD3 PRO 65 1HD PRO 65 -25.207 3.938 -0.946 66 H GLY 66 H GLY 66 -21.378 4.035 0.316 67 HA2 GLY 66 2HA GLY 66 -19.106 3.921 0.585 68 HA3 GLY 66 1HA GLY 66 -19.231 5.047 1.934 69 H ALA 67 H ALA 67 -20.901 1.947 1.529 70 HA ALA 67 HA ALA 67 -20.335 1.066 4.159 71 HB1 ALA 67 3HB ALA 67 -21.327 -0.551 1.784 72 HB2 ALA 67 1HB ALA 67 -22.336 0.324 2.943 73 HB3 ALA 67 2HB ALA 67 -21.372 -1.055 3.475 74 H GLN 68 H GLN 68 -18.205 0.969 4.603 75 HA GLN 68 HA GLN 68 -16.191 -0.118 2.911 76 HB2 GLN 68 2HB GLN 68 -16.135 0.541 5.882 77 HB3 GLN 68 1HB GLN 68 -14.712 0.133 4.921 78 HG2 GLN 68 2HG GLN 68 -15.120 2.134 3.505 79 HG3 GLN 68 1HG GLN 68 -16.527 2.522 4.498 80 HE21 GLN 68 1HE2 GLN 68 -15.717 4.511 5.163 81 HE22 GLN 68 2HE2 GLN 68 -14.369 4.678 6.231 82 H GLY 69 H GLY 69 -17.067 -2.102 2.365 83 HA2 GLY 69 2HA GLY 69 -16.260 -4.354 4.000 84 HA3 GLY 69 1HA GLY 69 -18.010 -4.231 3.738 85 H SER 70 H SER 70 -18.803 -5.012 1.868 86 HA SER 70 HA SER 70 -19.076 -5.620 -0.290 87 HB2 SER 70 2HB SER 70 -16.492 -4.101 -0.890 88 HB3 SER 70 1HB SER 70 -17.759 -4.520 -2.041 89 HG SER 70 HG SER 70 -19.103 -3.207 -0.382 90 H GLN 71 H GLN 71 -15.534 -5.656 -0.173 91 HA GLN 71 HA GLN 71 -15.454 -8.597 -0.450 92 HB2 GLN 71 2HB GLN 71 -14.609 -6.836 -2.352 93 HB3 GLN 71 1HB GLN 71 -13.166 -6.824 -1.355 94 HG2 GLN 71 2HG GLN 71 -14.407 -9.309 -2.571 95 HG3 GLN 71 1HG GLN 71 -13.068 -8.400 -3.258 96 HE21 GLN 71 1HE2 GLN 71 -11.040 -8.623 -2.389 97 HE22 GLN 71 2HE2 GLN 71 -10.636 -9.854 -1.254 98 H SER 72 H SER 72 -14.472 -9.525 1.414 99 HA SER 72 HA SER 72 -14.359 -7.667 3.626 100 HB2 SER 72 2HB SER 72 -13.980 -10.689 3.632 101 HB3 SER 72 1HB SER 72 -14.203 -9.677 5.063 102 HG SER 72 HG SER 72 -16.268 -9.606 4.682 103 H THR 73 H THR 73 -12.071 -10.049 2.281 104 HA THR 73 HA THR 73 -9.881 -9.318 3.949 105 HB THR 73 HB THR 73 -10.065 -11.537 2.824 106 HG1 THR 73 HG1 THR 73 -7.955 -10.217 3.381 107 HG21 THR 73 3HG2 THR 73 -9.358 -11.816 0.485 108 HG22 THR 73 1HG2 THR 73 -9.225 -10.065 0.296 109 HG23 THR 73 2HG2 THR 73 -10.803 -10.806 0.570 110 H TYR 74 H TYR 74 -11.165 -7.988 1.023 111 HA TYR 74 HA TYR 74 -8.878 -6.328 0.355 112 HB2 TYR 74 2HB TYR 74 -10.471 -7.265 -1.340 113 HB3 TYR 74 1HB TYR 74 -11.741 -6.256 -0.669 114 HD1 TYR 74 HD1 TYR 74 -8.172 -5.497 -1.582 115 HD2 TYR 74 HD2 TYR 74 -12.293 -4.682 -2.328 116 HE1 TYR 74 HE1 TYR 74 -7.546 -3.756 -3.189 117 HE2 TYR 74 HE2 TYR 74 -11.665 -2.931 -3.925 118 HH TYR 74 HH TYR 74 -8.485 -2.582 -5.092 119 H THR 75 H THR 75 -11.688 -6.095 2.423 120 HA THR 75 HA THR 75 -11.762 -3.252 2.739 121 HB THR 75 HB THR 75 -12.622 -5.288 4.851 122 HG1 THR 75 HG1 THR 75 -13.777 -4.644 2.393 123 HG21 THR 75 3HG2 THR 75 -12.625 -2.922 5.591 124 HG22 THR 75 1HG2 THR 75 -14.268 -3.560 5.480 125 HG23 THR 75 2HG2 THR 75 -13.650 -2.492 4.219 126 H ASP 76 H ASP 76 -10.270 -5.966 4.484 127 HA ASP 76 HA ASP 76 -8.763 -4.763 6.440 128 HB2 ASP 76 2HB ASP 76 -7.983 -7.080 4.602 129 HB3 ASP 76 1HB ASP 76 -6.970 -6.577 5.950 130 H LEU 77 H LEU 77 -8.059 -5.015 2.974 131 HA LEU 77 HA LEU 77 -5.482 -3.935 2.995 132 HB2 LEU 77 2HB LEU 77 -6.422 -5.201 1.088 133 HB3 LEU 77 1HB LEU 77 -7.509 -3.867 0.725 134 HG LEU 77 HG LEU 77 -5.610 -2.417 0.125 135 HD11 LEU 77 1HD1 LEU 77 -3.820 -4.737 0.892 136 HD12 LEU 77 2HD1 LEU 77 -3.965 -3.187 1.730 137 HD13 LEU 77 3HD1 LEU 77 -3.303 -3.244 0.101 138 HD21 LEU 77 3HD2 LEU 77 -5.387 -5.128 -1.216 139 HD22 LEU 77 1HD2 LEU 77 -4.767 -3.604 -1.855 140 HD23 LEU 77 2HD2 LEU 77 -6.499 -3.828 -1.647 141 H LEU 78 H LEU 78 -8.639 -2.280 2.552 142 HA LEU 78 HA LEU 78 -7.735 0.309 2.002 143 HB2 LEU 78 2HB LEU 78 -10.133 -0.429 1.924 144 HB3 LEU 78 1HB LEU 78 -10.159 -0.495 3.677 145 HG LEU 78 HG LEU 78 -9.740 2.000 3.729 146 HD11 LEU 78 1HD1 LEU 78 -10.141 1.844 0.727 147 HD12 LEU 78 2HD1 LEU 78 -8.658 2.297 1.573 148 HD13 LEU 78 3HD1 LEU 78 -10.082 3.326 1.688 149 HD21 LEU 78 3HD2 LEU 78 -12.003 1.116 3.994 150 HD22 LEU 78 1HD2 LEU 78 -12.243 1.137 2.243 151 HD23 LEU 78 2HD2 LEU 78 -12.026 2.650 3.128 152 H SER 79 H SER 79 -8.148 -1.364 5.087 153 HA SER 79 HA SER 79 -7.338 0.783 6.782 154 HB2 SER 79 2HB SER 79 -7.430 -2.212 7.330 155 HB3 SER 79 1HB SER 79 -7.325 -0.939 8.548 156 HG SER 79 HG SER 79 -9.380 -0.202 7.265 157 H VAL 80 H VAL 80 -5.598 -1.997 5.313 158 HA VAL 80 HA VAL 80 -3.194 -1.807 6.784 159 HB VAL 80 HB VAL 80 -3.675 -3.034 4.007 160 HG11 VAL 80 1HG1 VAL 80 -1.266 -2.530 4.256 161 HG12 VAL 80 2HG1 VAL 80 -1.545 -4.268 4.311 162 HG13 VAL 80 3HG1 VAL 80 -1.224 -3.381 5.805 163 HG21 VAL 80 3HG2 VAL 80 -3.690 -5.197 5.208 164 HG22 VAL 80 1HG2 VAL 80 -4.948 -4.122 5.810 165 HG23 VAL 80 2HG2 VAL 80 -3.478 -4.355 6.746 166 H ILE 81 H ILE 81 -4.142 -0.453 3.620 167 HA ILE 81 HA ILE 81 -1.773 0.736 2.825 168 HB ILE 81 HB ILE 81 -4.600 1.823 2.377 169 HG12 ILE 81 2HG1 ILE 81 -4.367 -0.494 1.535 170 HG13 ILE 81 1HG1 ILE 81 -4.538 0.630 0.196 171 HG21 ILE 81 1HG2 ILE 81 -2.938 3.537 1.909 172 HG22 ILE 81 2HG2 ILE 81 -3.614 2.957 0.389 173 HG23 ILE 81 3HG2 ILE 81 -2.007 2.425 0.899 174 HD11 ILE 81 3HD1 ILE 81 -2.917 -1.084 -0.284 175 HD12 ILE 81 1HD1 ILE 81 -1.981 -0.654 1.144 176 HD13 ILE 81 2HD1 ILE 81 -2.120 0.486 -0.199 177 H GLU 82 H GLU 82 -4.417 2.127 4.753 178 HA GLU 82 HA GLU 82 -3.181 4.666 5.172 179 HB2 GLU 82 2HB GLU 82 -5.671 4.221 5.176 180 HB3 GLU 82 1HB GLU 82 -5.482 3.402 6.726 181 HG2 GLU 82 2HG GLU 82 -4.687 5.487 7.759 182 HG3 GLU 82 1HG GLU 82 -4.809 6.321 6.207 183 H GLU 83 H GLU 83 -3.237 1.631 7.004 184 HA GLU 83 HA GLU 83 -2.039 2.448 9.417 185 HB2 GLU 83 2HB GLU 83 -1.903 -0.176 7.871 186 HB3 GLU 83 1HB GLU 83 -1.001 0.033 9.364 187 HG2 GLU 83 2HG GLU 83 -4.015 0.205 9.085 188 HG3 GLU 83 1HG GLU 83 -3.105 -1.164 9.719 189 H MET 84 H MET 84 -0.521 1.075 6.492 190 HA MET 84 HA MET 84 2.145 1.506 7.055 191 HB2 MET 84 2HB MET 84 0.700 1.567 4.363 192 HB3 MET 84 1HB MET 84 2.449 1.519 4.534 193 HG2 MET 84 2HG MET 84 2.205 -0.656 5.760 194 HG3 MET 84 1HG MET 84 0.486 -0.618 5.372 195 HE1 MET 84 3HE MET 84 0.699 -0.712 1.375 196 HE2 MET 84 1HE MET 84 0.711 0.750 2.360 197 HE3 MET 84 2HE MET 84 -0.404 -0.565 2.743 198 H GLY 85 H GLY 85 -0.249 3.700 5.669 199 HA2 GLY 85 2HA GLY 85 1.351 5.712 4.652 200 HA3 GLY 85 1HA GLY 85 -0.301 5.910 5.194 201 H LYS 86 H LYS 86 -0.234 5.669 7.895 202 HA LYS 86 HA LYS 86 1.040 8.041 8.791 203 HB2 LYS 86 2HB LYS 86 0.259 7.333 11.065 204 HB3 LYS 86 1HB LYS 86 -1.016 7.339 9.853 205 HG2 LYS 86 2HG LYS 86 -0.956 4.932 9.672 206 HG3 LYS 86 1HG LYS 86 0.454 4.843 10.732 207 HD2 LYS 86 2HD LYS 86 -0.844 5.593 12.640 208 HD3 LYS 86 1HD LYS 86 -2.247 5.936 11.619 209 HE2 LYS 86 2HE LYS 86 -2.455 3.803 12.903 210 HE3 LYS 86 1HE LYS 86 -2.562 3.574 11.161 211 HZ1 LYS 86 3HZ LYS 86 -1.190 1.895 12.249 212 HZ2 LYS 86 1HZ LYS 86 -0.133 3.088 12.798 213 HZ3 LYS 86 2HZ LYS 86 -0.287 2.796 11.142 214 H GLU 87 H GLU 87 2.010 4.692 8.688 215 HA GLU 87 HA GLU 87 4.109 4.960 10.688 216 HB2 GLU 87 2HB GLU 87 3.268 2.579 8.979 217 HB3 GLU 87 1HB GLU 87 4.492 2.525 10.253 218 HG2 GLU 87 2HG GLU 87 2.798 3.196 11.922 219 HG3 GLU 87 1HG GLU 87 1.564 3.251 10.670 220 H ILE 88 H ILE 88 3.902 5.798 7.482 221 HA ILE 88 HA ILE 88 6.576 5.190 6.605 222 HB ILE 88 HB ILE 88 4.630 7.361 5.657 223 HG12 ILE 88 2HG1 ILE 88 5.316 4.682 4.361 224 HG13 ILE 88 1HG1 ILE 88 3.895 4.976 5.348 225 HG21 ILE 88 1HG2 ILE 88 6.929 8.008 5.066 226 HG22 ILE 88 2HG2 ILE 88 6.033 7.540 3.623 227 HG23 ILE 88 3HG2 ILE 88 7.208 6.428 4.329 228 HD11 ILE 88 3HD1 ILE 88 3.348 5.038 3.020 229 HD12 ILE 88 1HD1 ILE 88 4.519 6.323 2.741 230 HD13 ILE 88 2HD1 ILE 88 3.099 6.619 3.749 231 H ARG 89 H ARG 89 5.038 7.805 8.423 232 HA ARG 89 HA ARG 89 7.139 9.674 8.302 233 HB2 ARG 89 2HB ARG 89 4.915 10.412 8.937 234 HB3 ARG 89 1HB ARG 89 4.904 9.351 10.344 235 HG2 ARG 89 2HG ARG 89 6.780 10.689 11.320 236 HG3 ARG 89 1HG ARG 89 6.675 11.783 9.942 237 HD2 ARG 89 2HD ARG 89 4.463 12.515 10.602 238 HD3 ARG 89 1HD ARG 89 4.364 11.260 11.847 239 HE ARG 89 HE ARG 89 6.546 13.191 12.098 240 HH11 ARG 89 1HH1 ARG 89 3.294 12.306 13.158 241 HH12 ARG 89 2HH1 ARG 89 3.369 13.273 14.600 242 HH21 ARG 89 1HH2 ARG 89 6.651 14.415 14.007 243 HH22 ARG 89 2HH2 ARG 89 5.285 14.475 15.080 244 HA PRO 90 HA PRO 90 8.925 7.843 12.463 245 HB2 PRO 90 2HB PRO 90 8.118 5.283 13.224 246 HB3 PRO 90 1HB PRO 90 7.435 6.787 13.873 247 HG2 PRO 90 2HG PRO 90 6.350 5.006 11.726 248 HG3 PRO 90 1HG PRO 90 5.492 5.838 13.044 249 HD2 PRO 90 2HD PRO 90 5.483 6.781 10.511 250 HD3 PRO 90 1HD PRO 90 5.451 7.865 11.918 251 H THR 91 H THR 91 8.141 5.575 9.797 252 HA THR 91 HA THR 91 10.541 4.084 9.730 253 HB THR 91 HB THR 91 8.772 4.989 7.412 254 HG1 THR 91 HG1 THR 91 7.615 3.352 8.037 255 HG21 THR 91 3HG2 THR 91 11.008 4.456 6.493 256 HG22 THR 91 1HG2 THR 91 9.847 3.198 6.057 257 HG23 THR 91 2HG2 THR 91 11.008 2.918 7.354 258 H TYR 92 H TYR 92 9.714 7.166 8.207 259 HA TYR 92 HA TYR 92 12.231 7.742 7.063 260 HB2 TYR 92 2HB TYR 92 10.189 8.854 6.270 261 HB3 TYR 92 1HB TYR 92 9.923 9.589 7.855 262 HD1 TYR 92 HD2 TYR 92 12.348 9.473 5.013 263 HD2 TYR 92 HD1 TYR 92 10.909 11.716 8.344 264 HE1 TYR 92 HE2 TYR 92 13.782 11.334 4.381 265 HE2 TYR 92 HE1 TYR 92 12.359 13.597 7.715 266 HH TYR 92 HH TYR 92 14.524 13.857 6.433 267 H ALA 93 H ALA 93 10.875 8.210 10.279 268 HA ALA 93 HA ALA 93 12.890 10.057 11.214 269 HB1 ALA 93 3HB ALA 93 10.591 10.057 12.125 270 HB2 ALA 93 1HB ALA 93 11.796 9.819 13.389 271 HB3 ALA 93 2HB ALA 93 10.849 8.447 12.803 272 H GLY 94 H GLY 94 13.103 6.807 10.497 273 HA2 GLY 94 2HA GLY 94 15.136 5.625 10.726 274 HA3 GLY 94 1HA GLY 94 15.489 6.503 12.204 275 H SER 95 H SER 95 12.368 5.661 12.688 276 HA SER 95 HA SER 95 12.865 3.488 14.410 277 HB2 SER 95 2HB SER 95 10.199 4.321 13.176 278 HB3 SER 95 1HB SER 95 10.417 3.349 14.635 279 HG SER 95 HG SER 95 11.818 5.563 14.953 280 H LYS 96 H LYS 96 13.858 1.766 13.390 281 HA LYS 96 HA LYS 96 13.132 0.426 11.062 282 HB2 LYS 96 2HB LYS 96 14.414 -1.483 11.846 283 HB3 LYS 96 1HB LYS 96 15.250 -0.007 12.291 284 HG2 LYS 96 2HG LYS 96 13.533 -1.559 14.256 285 HG3 LYS 96 1HG LYS 96 15.250 -1.891 14.014 286 HD2 LYS 96 2HD LYS 96 15.781 0.441 14.686 287 HD3 LYS 96 1HD LYS 96 14.061 0.751 14.940 288 HE2 LYS 96 2HE LYS 96 14.008 -0.944 16.730 289 HE3 LYS 96 1HE LYS 96 15.715 -1.301 16.453 290 HZ1 LYS 96 3HZ LYS 96 14.650 1.331 17.337 291 HZ2 LYS 96 1HZ LYS 96 16.278 0.935 17.133 292 HZ3 LYS 96 2HZ LYS 96 15.370 0.186 18.344 293 H SER 97 H SER 97 11.592 0.322 14.183 294 HA SER 97 HA SER 97 10.032 -2.002 13.972 295 HB2 SER 97 2HB SER 97 10.254 -0.689 16.054 296 HB3 SER 97 1HB SER 97 9.347 0.639 15.333 297 HG SER 97 HG SER 97 7.578 -0.367 15.871 298 H ALA 98 H ALA 98 9.285 1.366 13.047 299 HA ALA 98 HA ALA 98 6.739 0.939 11.911 300 HB1 ALA 98 3HB ALA 98 8.786 3.100 11.316 301 HB2 ALA 98 1HB ALA 98 7.566 3.142 12.584 302 HB3 ALA 98 2HB ALA 98 7.069 3.152 10.891 303 H MET 99 H MET 99 10.017 1.021 10.486 304 HA MET 99 HA MET 99 9.357 0.689 7.789 305 HB2 MET 99 2HB MET 99 11.610 1.356 8.586 306 HB3 MET 99 1HB MET 99 11.853 -0.241 9.282 307 HG2 MET 99 2HG MET 99 11.677 -1.212 6.978 308 HG3 MET 99 1HG MET 99 11.586 0.431 6.341 309 HE1 MET 99 3HE MET 99 15.295 -1.180 8.582 310 HE2 MET 99 1HE MET 99 13.836 -2.146 8.349 311 HE3 MET 99 2HE MET 99 13.806 -0.736 9.414 312 H GLU 100 H GLU 100 9.801 -1.665 10.379 313 HA GLU 100 HA GLU 100 9.776 -4.052 8.854 314 HB2 GLU 100 2HB GLU 100 10.547 -3.919 11.230 315 HB3 GLU 100 1HB GLU 100 8.891 -3.619 11.751 316 HG2 GLU 100 2HG GLU 100 8.225 -5.851 10.901 317 HG3 GLU 100 1HG GLU 100 9.885 -6.147 10.385 318 H ARG 101 H ARG 101 7.255 -2.127 10.379 319 HA ARG 101 HA ARG 101 5.029 -3.872 9.718 320 HB2 ARG 101 2HB ARG 101 5.147 -0.952 10.628 321 HB3 ARG 101 1HB ARG 101 3.643 -1.837 10.395 322 HG2 ARG 101 2HG ARG 101 5.812 -2.592 12.372 323 HG3 ARG 101 1HG ARG 101 4.335 -1.709 12.764 324 HD2 ARG 101 2HD ARG 101 3.011 -3.679 11.932 325 HD3 ARG 101 1HD ARG 101 4.529 -4.553 11.722 326 HE ARG 101 HE ARG 101 4.847 -4.543 14.080 327 HH11 ARG 101 1HH1 ARG 101 1.664 -3.384 13.112 328 HH12 ARG 101 2HH1 ARG 101 0.953 -3.675 14.668 329 HH21 ARG 101 1HH2 ARG 101 3.906 -4.934 16.104 330 HH22 ARG 101 2HH2 ARG 101 2.232 -4.557 16.366 331 H LEU 102 H LEU 102 6.692 -1.228 8.179 332 HA LEU 102 HA LEU 102 4.665 -0.523 6.290 333 HB2 LEU 102 2HB LEU 102 6.481 1.004 7.125 334 HB3 LEU 102 1HB LEU 102 7.664 0.043 6.259 335 HG LEU 102 HG LEU 102 6.771 0.762 4.107 336 HD11 LEU 102 1HD1 LEU 102 4.928 2.364 3.898 337 HD12 LEU 102 2HD1 LEU 102 4.617 2.236 5.632 338 HD13 LEU 102 3HD1 LEU 102 4.398 0.831 4.587 339 HD21 LEU 102 3HD2 LEU 102 8.386 2.257 5.172 340 HD22 LEU 102 1HD2 LEU 102 7.080 3.130 5.981 341 HD23 LEU 102 2HD2 LEU 102 7.223 3.173 4.222 342 H LYS 103 H LYS 103 7.780 -2.323 6.000 343 HA LYS 103 HA LYS 103 7.446 -3.303 3.404 344 HB2 LYS 103 2HB LYS 103 8.987 -4.499 5.737 345 HB3 LYS 103 1HB LYS 103 9.123 -5.067 4.074 346 HG2 LYS 103 2HG LYS 103 9.976 -2.851 3.378 347 HG3 LYS 103 1HG LYS 103 9.843 -2.272 5.042 348 HD2 LYS 103 2HD LYS 103 11.623 -4.569 4.115 349 HD3 LYS 103 1HD LYS 103 12.173 -2.926 4.450 350 HE2 LYS 103 2HE LYS 103 11.582 -3.159 6.806 351 HE3 LYS 103 1HE LYS 103 10.871 -4.746 6.509 352 HZ1 LYS 103 3HZ LYS 103 13.112 -5.505 5.812 353 HZ2 LYS 103 1HZ LYS 103 13.048 -5.025 7.432 354 HZ3 LYS 103 2HZ LYS 103 13.734 -4.012 6.274 355 H ARG 104 H ARG 104 6.658 -4.898 6.522 356 HA ARG 104 HA ARG 104 5.466 -7.249 5.590 357 HB2 ARG 104 2HB ARG 104 5.017 -5.568 8.081 358 HB3 ARG 104 1HB ARG 104 4.034 -6.996 7.811 359 HG2 ARG 104 2HG ARG 104 6.050 -8.406 7.799 360 HG3 ARG 104 1HG ARG 104 7.065 -6.977 8.024 361 HD2 ARG 104 2HD ARG 104 6.020 -6.550 10.202 362 HD3 ARG 104 1HD ARG 104 4.929 -7.923 9.970 363 HE ARG 104 HE ARG 104 7.555 -8.848 9.740 364 HH11 ARG 104 1HH1 ARG 104 5.436 -7.557 12.233 365 HH12 ARG 104 2HH1 ARG 104 6.232 -8.405 13.518 366 HH21 ARG 104 1HH2 ARG 104 8.600 -9.948 11.424 367 HH22 ARG 104 2HH2 ARG 104 8.034 -9.765 13.056 368 H GLY 105 H GLY 105 4.160 -4.006 5.953 369 HA2 GLY 105 2HA GLY 105 1.453 -4.430 5.419 370 HA3 GLY 105 1HA GLY 105 2.353 -2.957 5.086 371 H ILE 106 H ILE 106 4.146 -3.646 3.167 372 HA ILE 106 HA ILE 106 2.592 -3.661 0.815 373 HB ILE 106 HB ILE 106 5.547 -3.641 1.390 374 HG12 ILE 106 2HG1 ILE 106 5.458 -1.726 -0.297 375 HG13 ILE 106 1HG1 ILE 106 3.728 -1.986 -0.426 376 HG21 ILE 106 1HG2 ILE 106 4.555 -4.385 -1.394 377 HG22 ILE 106 2HG2 ILE 106 5.529 -5.398 -0.327 378 HG23 ILE 106 3HG2 ILE 106 6.210 -3.914 -0.993 379 HD11 ILE 106 3HD1 ILE 106 3.466 -1.361 1.911 380 HD12 ILE 106 1HD1 ILE 106 4.283 -0.100 0.990 381 HD13 ILE 106 2HD1 ILE 106 5.211 -1.152 2.055 382 H ILE 107 H ILE 107 4.536 -6.299 2.284 383 HA ILE 107 HA ILE 107 4.302 -8.225 0.235 384 HB ILE 107 HB ILE 107 4.451 -8.750 3.242 385 HG12 ILE 107 2HG1 ILE 107 6.771 -8.582 1.252 386 HG13 ILE 107 1HG1 ILE 107 6.313 -7.286 2.352 387 HG21 ILE 107 1HG2 ILE 107 5.165 -10.584 0.915 388 HG22 ILE 107 2HG2 ILE 107 3.783 -10.765 1.998 389 HG23 ILE 107 3HG2 ILE 107 5.421 -10.952 2.623 390 HD11 ILE 107 3HD1 ILE 107 6.814 -8.713 4.265 391 HD12 ILE 107 1HD1 ILE 107 8.204 -8.534 3.196 392 HD13 ILE 107 2HD1 ILE 107 7.265 -10.027 3.173 393 H HIS 108 H HIS 108 2.349 -7.663 3.101 394 HA HIS 108 HA HIS 108 0.358 -9.647 2.628 395 HB2 HIS 108 2HB HIS 108 0.790 -8.779 4.886 396 HB3 HIS 108 1HB HIS 108 0.314 -7.157 4.388 397 HD1 HIS 108 HD1 HIS 108 -1.732 -6.777 5.737 398 HD2 HIS 108 HD2 HIS 108 -1.816 -10.473 3.848 399 HE1 HIS 108 HE1 HIS 108 -4.013 -7.707 6.163 400 HE2 HIS 108 HE2 HIS 108 -4.005 -9.979 5.108 401 H ALA 109 H ALA 109 0.609 -6.199 1.814 402 HA ALA 109 HA ALA 109 -2.094 -5.720 1.144 403 HB1 ALA 109 3HB ALA 109 -0.551 -3.894 1.638 404 HB2 ALA 109 1HB ALA 109 -1.266 -3.670 0.043 405 HB3 ALA 109 2HB ALA 109 0.394 -4.261 0.194 406 H ARG 110 H ARG 110 0.714 -6.613 -0.838 407 HA ARG 110 HA ARG 110 -0.602 -6.491 -3.371 408 HB2 ARG 110 2HB ARG 110 1.865 -6.254 -3.064 409 HB3 ARG 110 1HB ARG 110 1.969 -7.942 -2.585 410 HG2 ARG 110 2HG ARG 110 1.365 -8.683 -4.800 411 HG3 ARG 110 1HG ARG 110 0.956 -7.040 -5.301 412 HD2 ARG 110 2HD ARG 110 3.131 -7.766 -6.200 413 HD3 ARG 110 1HD ARG 110 3.304 -6.369 -5.136 414 HE ARG 110 HE ARG 110 3.747 -8.528 -3.519 415 HH11 ARG 110 1HH1 ARG 110 5.228 -7.363 -6.502 416 HH12 ARG 110 2HH1 ARG 110 6.790 -8.036 -6.134 417 HH21 ARG 110 1HH2 ARG 110 5.781 -9.423 -3.045 418 HH22 ARG 110 2HH2 ARG 110 7.100 -9.209 -4.157 419 H ALA 111 H ALA 111 -0.283 -8.919 -0.881 420 HA ALA 111 HA ALA 111 -1.112 -11.199 -2.390 421 HB1 ALA 111 3HB ALA 111 -1.493 -12.265 -0.205 422 HB2 ALA 111 1HB ALA 111 -1.315 -10.701 0.606 423 HB3 ALA 111 2HB ALA 111 0.057 -11.426 -0.229 424 H LEU 112 H LEU 112 -2.783 -8.692 -0.488 425 HA LEU 112 HA LEU 112 -5.376 -9.882 -0.515 426 HB2 LEU 112 2HB LEU 112 -4.591 -6.967 -0.081 427 HB3 LEU 112 1HB LEU 112 -6.182 -7.643 0.255 428 HG LEU 112 HG LEU 112 -3.596 -8.383 1.676 429 HD11 LEU 112 1HD1 LEU 112 -4.382 -6.176 2.308 430 HD12 LEU 112 2HD1 LEU 112 -4.602 -7.305 3.640 431 HD13 LEU 112 3HD1 LEU 112 -5.990 -6.811 2.666 432 HD21 LEU 112 3HD2 LEU 112 -5.056 -10.339 1.533 433 HD22 LEU 112 1HD2 LEU 112 -6.398 -9.412 2.212 434 HD23 LEU 112 2HD2 LEU 112 -4.962 -9.742 3.186 435 H VAL 113 H VAL 113 -3.815 -7.429 -2.587 436 HA VAL 113 HA VAL 113 -6.023 -6.830 -4.270 437 HB VAL 113 HB VAL 113 -3.115 -6.875 -5.238 438 HG11 VAL 113 1HG1 VAL 113 -5.484 -5.150 -6.073 439 HG12 VAL 113 2HG1 VAL 113 -4.788 -6.484 -6.999 440 HG13 VAL 113 3HG1 VAL 113 -3.845 -5.019 -6.713 441 HG21 VAL 113 3HG2 VAL 113 -3.141 -5.669 -3.109 442 HG22 VAL 113 1HG2 VAL 113 -4.445 -4.632 -3.682 443 HG23 VAL 113 2HG2 VAL 113 -2.853 -4.556 -4.446 444 H ARG 114 H ARG 114 -3.428 -9.209 -4.465 445 HA ARG 114 HA ARG 114 -3.987 -10.302 -7.003 446 HB2 ARG 114 2HB ARG 114 -1.798 -10.502 -5.943 447 HB3 ARG 114 1HB ARG 114 -2.479 -11.429 -4.612 448 HG2 ARG 114 2HG ARG 114 -2.948 -13.302 -6.104 449 HG3 ARG 114 1HG ARG 114 -2.411 -12.364 -7.497 450 HD2 ARG 114 2HD ARG 114 -0.133 -12.291 -6.615 451 HD3 ARG 114 1HD ARG 114 -0.648 -13.135 -5.148 452 HE ARG 114 HE ARG 114 -1.170 -14.574 -7.609 453 HH11 ARG 114 1HH1 ARG 114 1.237 -13.951 -5.108 454 HH12 ARG 114 2HH1 ARG 114 2.092 -15.437 -5.393 455 HH21 ARG 114 1HH2 ARG 114 -0.071 -16.535 -7.940 456 HH22 ARG 114 2HH2 ARG 114 1.345 -16.905 -7.008 457 H GLU 115 H GLU 115 -5.008 -11.244 -3.734 458 HA GLU 115 HA GLU 115 -6.299 -13.678 -4.457 459 HB2 GLU 115 2HB GLU 115 -6.515 -11.862 -2.011 460 HB3 GLU 115 1HB GLU 115 -7.469 -13.333 -2.164 461 HG2 GLU 115 2HG GLU 115 -4.445 -13.357 -2.348 462 HG3 GLU 115 1HG GLU 115 -5.299 -13.468 -0.812 463 H CYS 116 H CYS 116 -7.317 -10.313 -4.138 464 HA CYS 116 HA CYS 116 -10.122 -10.764 -4.449 465 HB2 CYS 116 2HB CYS 116 -9.204 -8.778 -3.311 466 HB3 CYS 116 1HB CYS 116 -8.475 -8.228 -4.812 467 HG CYS 116 HG CYS 116 -10.674 -7.329 -5.972 468 H LEU 117 H LEU 117 -7.450 -10.227 -6.689 469 HA LEU 117 HA LEU 117 -8.664 -9.421 -9.018 470 HB2 LEU 117 2HB LEU 117 -6.261 -11.111 -8.418 471 HB3 LEU 117 1HB LEU 117 -6.824 -11.161 -10.074 472 HG LEU 117 HG LEU 117 -6.124 -8.561 -8.643 473 HD11 LEU 117 1HD1 LEU 117 -4.135 -10.001 -8.773 474 HD12 LEU 117 2HD1 LEU 117 -3.993 -8.607 -9.834 475 HD13 LEU 117 3HD1 LEU 117 -4.366 -10.195 -10.515 476 HD21 LEU 117 3HD2 LEU 117 -6.092 -7.610 -10.899 477 HD22 LEU 117 1HD2 LEU 117 -7.669 -8.322 -10.562 478 HD23 LEU 117 2HD2 LEU 117 -6.522 -9.172 -11.605 479 H ALA 118 H ALA 118 -8.592 -12.683 -7.674 480 HA ALA 118 HA ALA 118 -9.472 -14.250 -9.749 481 HB1 ALA 118 3HB ALA 118 -10.178 -14.541 -6.819 482 HB2 ALA 118 1HB ALA 118 -8.705 -15.123 -7.588 483 HB3 ALA 118 2HB ALA 118 -10.265 -15.830 -8.024 484 H GLU 119 H GLU 119 -11.565 -12.719 -7.301 485 HA GLU 119 HA GLU 119 -14.007 -13.313 -8.740 486 HB2 GLU 119 2HB GLU 119 -15.081 -12.225 -6.786 487 HB3 GLU 119 1HB GLU 119 -13.960 -13.507 -6.319 488 HG2 GLU 119 2HG GLU 119 -12.230 -11.795 -5.830 489 HG3 GLU 119 1HG GLU 119 -13.395 -10.527 -6.224 490 H THR 120 H THR 120 -11.803 -10.620 -8.513 491 HA THR 120 HA THR 120 -13.575 -8.529 -9.259 492 HB THR 120 HB THR 120 -10.543 -8.725 -9.592 493 HG1 THR 120 HG1 THR 120 -11.744 -8.664 -7.419 494 HG21 THR 120 3HG2 THR 120 -11.430 -6.985 -11.122 495 HG22 THR 120 1HG2 THR 120 -10.558 -6.247 -9.777 496 HG23 THR 120 2HG2 THR 120 -12.324 -6.250 -9.788 497 H GLU 121 H GLU 121 -11.729 -10.947 -11.040 498 HA GLU 121 HA GLU 121 -12.073 -10.054 -13.685 499 HB2 GLU 121 2HB GLU 121 -11.843 -12.907 -12.614 500 HB3 GLU 121 1HB GLU 121 -11.791 -12.491 -14.330 501 HG2 GLU 121 2HG GLU 121 -9.776 -11.107 -13.924 502 HG3 GLU 121 1HG GLU 121 -9.811 -11.578 -12.225 503 H ARG 122 H ARG 122 -14.267 -11.698 -11.498 504 HA ARG 122 HA ARG 122 -16.226 -12.500 -13.431 505 HB2 ARG 122 2HB ARG 122 -16.546 -12.081 -10.419 506 HB3 ARG 122 1HB ARG 122 -17.618 -13.011 -11.467 507 HG2 ARG 122 2HG ARG 122 -15.885 -14.680 -11.854 508 HG3 ARG 122 1HG ARG 122 -14.707 -13.709 -10.961 509 HD2 ARG 122 2HD ARG 122 -16.114 -13.976 -8.905 510 HD3 ARG 122 1HD ARG 122 -17.184 -15.047 -9.824 511 HE ARG 122 HE ARG 122 -14.626 -16.057 -10.110 512 HH11 ARG 122 1HH1 ARG 122 -16.837 -15.516 -7.430 513 HH12 ARG 122 2HH1 ARG 122 -16.218 -16.834 -6.496 514 HH21 ARG 122 1HH2 ARG 122 -13.830 -17.797 -8.888 515 HH22 ARG 122 2HH2 ARG 122 -14.514 -18.122 -7.325 516 H ASN 123 H ASN 123 -15.656 -9.671 -11.440 517 HA ASN 123 HA ASN 123 -18.093 -8.278 -12.206 518 HB2 ASN 123 2HB ASN 123 -17.115 -7.862 -9.974 519 HB3 ASN 123 1HB ASN 123 -15.588 -7.364 -10.696 520 HD21 ASN 123 1HD2 ASN 123 -15.565 -5.300 -9.878 521 HD22 ASN 123 2HD2 ASN 123 -16.709 -4.075 -10.291 522 H ALA 124 H ALA 124 -18.169 -7.662 -14.342 523 HA ALA 124 HA ALA 124 -15.849 -6.589 -15.762 524 HB1 ALA 124 3HB ALA 124 -17.469 -7.983 -16.982 525 HB2 ALA 124 1HB ALA 124 -17.398 -6.360 -17.672 526 HB3 ALA 124 2HB ALA 124 -18.751 -6.826 -16.636 527 H ARG 125 H ARG 125 -15.684 -4.403 -16.481 528 HA ARG 125 HA ARG 125 -16.497 -2.454 -14.563 529 HB2 ARG 125 2HB ARG 125 -14.341 -2.331 -15.852 530 HB3 ARG 125 1HB ARG 125 -15.268 -1.998 -17.310 531 HG2 ARG 125 2HG ARG 125 -16.171 -0.009 -15.529 532 HG3 ARG 125 1HG ARG 125 -14.453 -0.151 -15.145 533 HD2 ARG 125 2HD ARG 125 -14.836 1.571 -16.857 534 HD3 ARG 125 1HD ARG 125 -13.893 0.230 -17.522 535 HE ARG 125 HE ARG 125 -16.797 0.137 -17.932 536 HH11 ARG 125 1HH1 ARG 125 -13.660 0.920 -19.365 537 HH12 ARG 125 2HH1 ARG 125 -14.271 0.862 -20.991 538 HH21 ARG 125 1HH2 ARG 125 -17.559 0.075 -20.056 539 HH22 ARG 125 2HH2 ARG 125 -16.482 0.386 -21.382 540 H THR 126 H THR 126 -18.722 -2.383 -14.544 541 HA THR 126 HA THR 126 -20.273 -1.645 -16.891 542 HB THR 126 HB THR 126 -22.166 -1.563 -15.094 543 HG1 THR 126 HG1 THR 126 -20.255 -1.638 -13.397 544 HG21 THR 126 3HG2 THR 126 -22.384 -4.016 -15.040 545 HG22 THR 126 1HG2 THR 126 -20.707 -4.188 -15.565 546 HG23 THR 126 2HG2 THR 126 -21.901 -3.458 -16.644 547 H1 SER 58 1H SER 58 0.422 -14.909 8.639 548 H2 SER 58 2H SER 58 -0.955 -13.951 8.803 549 H3 SER 58 3H SER 58 0.266 -13.501 7.725 550 HA SER 58 HA SER 58 -1.462 -15.889 7.530 551 HB2 SER 58 2HB SER 58 -2.598 -13.728 6.987 552 HB3 SER 58 1HB SER 58 -1.363 -13.390 5.769 553 HG SER 58 HG SER 58 -2.455 -14.597 4.449 554 H HIS 59 H HIS 59 -0.948 -17.339 5.891 555 HA HIS 59 HA HIS 59 1.132 -16.799 3.961 556 HB2 HIS 59 2HB HIS 59 2.587 -18.685 4.536 557 HB3 HIS 59 1HB HIS 59 2.467 -17.595 5.907 558 HD1 HIS 59 HD1 HIS 59 2.107 -21.094 4.958 559 HD2 HIS 59 HD2 HIS 59 0.770 -18.688 8.060 560 HE1 HIS 59 HE1 HIS 59 1.381 -22.666 6.766 561 HE2 HIS 59 HE2 HIS 59 0.374 -21.191 8.526 562 H MET 60 H MET 60 0.210 -17.440 2.144 563 HA MET 60 HA MET 60 -1.132 -20.055 1.929 564 HB2 MET 60 2HB MET 60 -2.401 -17.409 1.031 565 HB3 MET 60 1HB MET 60 -3.025 -19.002 0.630 566 HG2 MET 60 2HG MET 60 -3.580 -19.430 2.956 567 HG3 MET 60 1HG MET 60 -2.782 -17.941 3.458 568 HE1 MET 60 3HE MET 60 -6.501 -17.035 4.175 569 HE2 MET 60 1HE MET 60 -4.857 -17.041 4.810 570 HE3 MET 60 2HE MET 60 -5.681 -18.569 4.474 571 H ALA 61 H ALA 61 -0.333 -21.062 0.165 572 HA ALA 61 HA ALA 61 1.320 -19.638 -1.765 573 HB1 ALA 61 3HB ALA 61 1.897 -21.888 -2.602 574 HB2 ALA 61 1HB ALA 61 0.681 -22.607 -1.538 575 HB3 ALA 61 2HB ALA 61 2.091 -21.799 -0.850 576 H MET 62 H MET 62 -0.664 -18.409 -2.406 577 HA MET 62 HA MET 62 -2.802 -19.788 -3.781 578 HB2 MET 62 2HB MET 62 -3.864 -17.615 -3.974 579 HB3 MET 62 1HB MET 62 -3.237 -17.807 -2.344 580 HG2 MET 62 2HG MET 62 -1.844 -16.207 -4.506 581 HG3 MET 62 1HG MET 62 -2.946 -15.521 -3.313 582 HE1 MET 62 3HE MET 62 -1.191 -13.770 -2.441 583 HE2 MET 62 1HE MET 62 -0.071 -14.323 -3.690 584 HE3 MET 62 2HE MET 62 0.470 -14.180 -2.018 585 H LYS 63 H LYS 63 -3.513 -19.272 -5.922 586 HA LYS 63 HA LYS 63 -1.705 -17.891 -7.754 587 HB2 LYS 63 2HB LYS 63 -0.945 -20.259 -7.857 588 HB3 LYS 63 1HB LYS 63 -2.583 -20.775 -8.245 589 HG2 LYS 63 2HG LYS 63 -2.491 -19.508 -10.367 590 HG3 LYS 63 1HG LYS 63 -0.855 -18.968 -9.984 591 HD2 LYS 63 2HD LYS 63 -1.690 -21.870 -10.369 592 HD3 LYS 63 1HD LYS 63 -0.901 -20.873 -11.594 593 HE2 LYS 63 2HE LYS 63 0.288 -21.623 -8.900 594 HE3 LYS 63 1HE LYS 63 0.700 -22.357 -10.450 595 HZ1 LYS 63 3HZ LYS 63 1.531 -20.237 -11.213 596 HZ2 LYS 63 1HZ LYS 63 2.310 -20.685 -9.783 597 HZ3 LYS 63 2HZ LYS 63 1.108 -19.498 -9.752 598 HA PRO 64 HA PRO 64 -5.980 -16.998 -9.219 599 HB2 PRO 64 2HB PRO 64 -5.760 -14.239 -8.316 600 HB3 PRO 64 1HB PRO 64 -6.866 -15.491 -7.716 601 HG2 PRO 64 2HG PRO 64 -4.829 -14.391 -6.208 602 HG3 PRO 64 1HG PRO 64 -5.542 -15.992 -5.904 603 HD2 PRO 64 2HD PRO 64 -3.004 -15.308 -7.400 604 HD3 PRO 64 1HD PRO 64 -3.301 -16.582 -6.187 605 HA PRO 65 HA PRO 65 -2.769 -15.792 -12.297 606 HB2 PRO 65 2HB PRO 65 -4.748 -16.725 -14.352 607 HB3 PRO 65 1HB PRO 65 -3.104 -17.312 -14.015 608 HG2 PRO 65 2HG PRO 65 -5.247 -18.785 -13.379 609 HG3 PRO 65 1HG PRO 65 -3.810 -18.764 -12.327 610 HD2 PRO 65 2HD PRO 65 -6.407 -17.237 -12.006 611 HD3 PRO 65 1HD PRO 65 -5.478 -18.163 -10.797 612 H GLY 66 H GLY 66 -2.625 -13.620 -12.478 613 HA2 GLY 66 2HA GLY 66 -4.850 -11.966 -13.466 614 HA3 GLY 66 1HA GLY 66 -3.343 -11.405 -12.756 615 H ALA 67 H ALA 67 -4.300 -13.415 -15.552 616 HA ALA 67 HA ALA 67 -2.119 -12.412 -17.207 617 HB1 ALA 67 3HB ALA 67 -4.369 -14.363 -17.851 618 HB2 ALA 67 1HB ALA 67 -2.756 -14.798 -17.280 619 HB3 ALA 67 2HB ALA 67 -2.957 -14.051 -18.866 620 H GLN 68 H GLN 68 -3.195 -12.236 -19.749 621 HA GLN 68 HA GLN 68 -4.433 -9.672 -19.819 622 HB2 GLN 68 2HB GLN 68 -2.952 -10.483 -21.633 623 HB3 GLN 68 1HB GLN 68 -4.144 -11.699 -22.082 624 HG2 GLN 68 2HG GLN 68 -5.697 -10.007 -22.826 625 HG3 GLN 68 1HG GLN 68 -4.712 -8.719 -22.132 626 HE21 GLN 68 1HE2 GLN 68 -2.785 -8.107 -23.183 627 HE22 GLN 68 2HE2 GLN 68 -2.491 -8.499 -24.843 628 H GLY 69 H GLY 69 -6.382 -9.468 -19.033 629 HA2 GLY 69 2HA GLY 69 -8.789 -10.023 -20.033 630 HA3 GLY 69 1HA GLY 69 -8.440 -11.538 -19.190 631 H SER 70 H SER 70 -6.924 -10.444 -17.070 632 HA SER 70 HA SER 70 -8.863 -9.716 -15.176 633 HB2 SER 70 2HB SER 70 -5.835 -9.316 -15.032 634 HB3 SER 70 1HB SER 70 -6.944 -9.336 -13.659 635 HG SER 70 HG SER 70 -7.329 -11.500 -14.036 636 H GLN 71 H GLN 71 -8.947 -7.722 -13.950 637 HA GLN 71 HA GLN 71 -9.316 -5.427 -15.558 638 HB2 GLN 71 2HB GLN 71 -9.401 -5.872 -12.552 639 HB3 GLN 71 1HB GLN 71 -9.685 -4.292 -13.276 640 HG2 GLN 71 2HG GLN 71 -11.767 -5.418 -12.716 641 HG3 GLN 71 1HG GLN 71 -11.644 -5.119 -14.446 642 HE21 GLN 71 1HE2 GLN 71 -13.192 -6.723 -14.938 643 HE22 GLN 71 2HE2 GLN 71 -12.877 -8.410 -14.741 644 H SER 72 H SER 72 -7.375 -4.800 -16.527 645 HA SER 72 HA SER 72 -4.899 -4.512 -15.419 646 HB2 SER 72 2HB SER 72 -5.394 -4.380 -17.835 647 HB3 SER 72 1HB SER 72 -6.150 -2.806 -17.605 648 HG SER 72 HG SER 72 -3.468 -3.285 -16.832 649 H THR 73 H THR 73 -7.452 -2.027 -15.579 650 HA THR 73 HA THR 73 -6.268 0.048 -14.222 651 HB THR 73 HB THR 73 -8.495 0.247 -15.246 652 HG1 THR 73 HG1 THR 73 -7.809 1.197 -12.796 653 HG21 THR 73 3HG2 THR 73 -10.517 -0.563 -14.093 654 HG22 THR 73 1HG2 THR 73 -9.516 -1.356 -12.873 655 HG23 THR 73 2HG2 THR 73 -9.473 -1.911 -14.548 656 H TYR 74 H TYR 74 -7.562 -2.930 -12.850 657 HA TYR 74 HA TYR 74 -7.313 -2.078 -10.091 658 HB2 TYR 74 2HB TYR 74 -9.121 -3.633 -10.824 659 HB3 TYR 74 1HB TYR 74 -7.915 -4.831 -11.278 660 HD1 TYR 74 HD1 TYR 74 -9.067 -2.828 -8.348 661 HD2 TYR 74 HD2 TYR 74 -7.358 -6.472 -9.687 662 HE1 TYR 74 HE1 TYR 74 -9.167 -3.715 -6.080 663 HE2 TYR 74 HE2 TYR 74 -7.447 -7.375 -7.405 664 HH TYR 74 HH TYR 74 -9.197 -5.911 -4.937 665 H THR 75 H THR 75 -5.518 -3.973 -12.433 666 HA THR 75 HA THR 75 -3.471 -5.032 -10.828 667 HB THR 75 HB THR 75 -3.198 -4.142 -13.746 668 HG1 THR 75 HG1 THR 75 -4.055 -6.147 -14.277 669 HG21 THR 75 3HG2 THR 75 -1.044 -4.821 -12.691 670 HG22 THR 75 1HG2 THR 75 -1.554 -5.973 -13.934 671 HG23 THR 75 2HG2 THR 75 -1.761 -6.365 -12.227 672 H ASP 76 H ASP 76 -4.019 -1.741 -11.996 673 HA ASP 76 HA ASP 76 -1.558 -0.519 -11.639 674 HB2 ASP 76 2HB ASP 76 -4.388 0.467 -11.080 675 HB3 ASP 76 1HB ASP 76 -3.006 1.502 -10.730 676 H LEU 77 H LEU 77 -4.067 -1.110 -9.167 677 HA LEU 77 HA LEU 77 -2.729 -0.210 -6.899 678 HB2 LEU 77 2HB LEU 77 -5.121 -0.743 -6.945 679 HB3 LEU 77 1HB LEU 77 -4.773 -2.443 -7.216 680 HG LEU 77 HG LEU 77 -3.797 -2.606 -4.930 681 HD11 LEU 77 1HD1 LEU 77 -4.635 0.284 -4.588 682 HD12 LEU 77 2HD1 LEU 77 -2.981 -0.336 -4.631 683 HD13 LEU 77 3HD1 LEU 77 -4.053 -0.791 -3.312 684 HD21 LEU 77 3HD2 LEU 77 -6.609 -1.469 -4.979 685 HD22 LEU 77 1HD2 LEU 77 -5.902 -2.442 -3.686 686 HD23 LEU 77 2HD2 LEU 77 -6.155 -3.150 -5.280 687 H LEU 78 H LEU 78 -2.859 -3.501 -8.262 688 HA LEU 78 HA LEU 78 -1.352 -4.958 -6.463 689 HB2 LEU 78 2HB LEU 78 -2.656 -5.842 -8.423 690 HB3 LEU 78 1HB LEU 78 -1.406 -5.237 -9.494 691 HG LEU 78 HG LEU 78 0.223 -6.821 -8.340 692 HD11 LEU 78 1HD1 LEU 78 -2.296 -7.967 -7.102 693 HD12 LEU 78 2HD1 LEU 78 -0.968 -7.172 -6.250 694 HD13 LEU 78 3HD1 LEU 78 -0.690 -8.707 -7.067 695 HD21 LEU 78 3HD2 LEU 78 -0.718 -7.338 -10.532 696 HD22 LEU 78 1HD2 LEU 78 -2.136 -8.077 -9.781 697 HD23 LEU 78 2HD2 LEU 78 -0.540 -8.805 -9.573 698 H SER 79 H SER 79 -0.241 -3.078 -9.256 699 HA SER 79 HA SER 79 2.552 -3.578 -8.964 700 HB2 SER 79 2HB SER 79 1.156 -1.304 -10.463 701 HB3 SER 79 1HB SER 79 2.814 -1.860 -10.700 702 HG SER 79 HG SER 79 0.413 -3.030 -11.500 703 H VAL 80 H VAL 80 0.428 -0.848 -8.003 704 HA VAL 80 HA VAL 80 2.345 1.025 -7.250 705 HB VAL 80 HB VAL 80 -0.544 0.643 -6.324 706 HG11 VAL 80 1HG1 VAL 80 0.570 1.784 -4.455 707 HG12 VAL 80 2HG1 VAL 80 -0.476 2.916 -5.310 708 HG13 VAL 80 3HG1 VAL 80 1.273 2.974 -5.556 709 HG21 VAL 80 3HG2 VAL 80 -0.981 2.614 -7.732 710 HG22 VAL 80 1HG2 VAL 80 -0.191 1.348 -8.667 711 HG23 VAL 80 2HG2 VAL 80 0.737 2.745 -8.121 712 H ILE 81 H ILE 81 0.826 -1.564 -5.364 713 HA ILE 81 HA ILE 81 1.871 -1.102 -2.855 714 HB ILE 81 HB ILE 81 1.475 -3.832 -4.161 715 HG12 ILE 81 2HG1 ILE 81 -0.620 -2.569 -4.259 716 HG13 ILE 81 1HG1 ILE 81 -0.777 -3.822 -3.043 717 HG21 ILE 81 1HG2 ILE 81 2.827 -3.990 -2.140 718 HG22 ILE 81 2HG2 ILE 81 1.226 -4.662 -1.842 719 HG23 ILE 81 3HG2 ILE 81 1.636 -3.058 -1.226 720 HD11 ILE 81 3HD1 ILE 81 -0.429 -2.114 -1.294 721 HD12 ILE 81 1HD1 ILE 81 -1.828 -1.784 -2.317 722 HD13 ILE 81 2HD1 ILE 81 -0.335 -0.878 -2.551 723 H GLU 82 H GLU 82 3.361 -3.150 -5.410 724 HA GLU 82 HA GLU 82 5.738 -3.613 -3.863 725 HB2 GLU 82 2HB GLU 82 6.572 -4.832 -5.831 726 HB3 GLU 82 1HB GLU 82 4.944 -5.331 -5.386 727 HG2 GLU 82 2HG GLU 82 4.005 -4.028 -7.247 728 HG3 GLU 82 1HG GLU 82 5.619 -3.443 -7.657 729 H GLU 83 H GLU 83 4.820 -1.207 -6.200 730 HA GLU 83 HA GLU 83 7.422 -0.212 -6.805 731 HB2 GLU 83 2HB GLU 83 4.734 1.223 -6.857 732 HB3 GLU 83 1HB GLU 83 6.234 1.879 -7.507 733 HG2 GLU 83 2HG GLU 83 4.760 -0.572 -8.508 734 HG3 GLU 83 1HG GLU 83 4.841 1.001 -9.297 735 H MET 84 H MET 84 5.076 0.436 -4.240 736 HA MET 84 HA MET 84 6.589 2.486 -2.928 737 HB2 MET 84 2HB MET 84 4.297 0.683 -2.012 738 HB3 MET 84 1HB MET 84 5.008 1.928 -0.990 739 HG2 MET 84 2HG MET 84 4.373 3.638 -2.684 740 HG3 MET 84 1HG MET 84 3.579 2.371 -3.618 741 HE1 MET 84 3HE MET 84 1.423 0.957 -2.633 742 HE2 MET 84 1HE MET 84 0.703 1.312 -1.062 743 HE3 MET 84 2HE MET 84 2.305 0.579 -1.152 744 H GLY 85 H GLY 85 6.440 -1.022 -2.799 745 HA2 GLY 85 2HA GLY 85 7.609 -1.590 -0.346 746 HA3 GLY 85 1HA GLY 85 7.651 -2.633 -1.749 747 H LYS 86 H LYS 86 9.224 -0.927 -3.455 748 HA LYS 86 HA LYS 86 11.874 -1.491 -2.480 749 HB2 LYS 86 2HB LYS 86 12.601 -0.439 -4.653 750 HB3 LYS 86 1HB LYS 86 11.453 -1.759 -4.843 751 HG2 LYS 86 2HG LYS 86 9.628 -0.197 -5.231 752 HG3 LYS 86 1HG LYS 86 10.690 1.177 -4.905 753 HD2 LYS 86 2HD LYS 86 11.992 0.718 -6.916 754 HD3 LYS 86 1HD LYS 86 11.097 -0.779 -7.206 755 HE2 LYS 86 2HE LYS 86 10.333 1.054 -8.680 756 HE3 LYS 86 1HE LYS 86 9.042 0.500 -7.616 757 HZ1 LYS 86 3HZ LYS 86 9.362 2.414 -6.228 758 HZ2 LYS 86 1HZ LYS 86 9.179 2.935 -7.822 759 HZ3 LYS 86 2HZ LYS 86 10.708 2.903 -7.118 760 H GLU 87 H GLU 87 9.775 1.308 -2.532 761 HA GLU 87 HA GLU 87 11.903 3.274 -2.243 762 HB2 GLU 87 2HB GLU 87 8.875 3.570 -2.374 763 HB3 GLU 87 1HB GLU 87 9.997 4.928 -2.226 764 HG2 GLU 87 2HG GLU 87 11.059 4.311 -4.363 765 HG3 GLU 87 1HG GLU 87 9.969 2.933 -4.515 766 H ILE 88 H ILE 88 10.345 1.266 -0.118 767 HA ILE 88 HA ILE 88 10.162 2.881 2.220 768 HB ILE 88 HB ILE 88 10.690 -0.125 1.946 769 HG12 ILE 88 2HG1 ILE 88 8.038 1.342 2.385 770 HG13 ILE 88 1HG1 ILE 88 8.583 0.686 0.846 771 HG21 ILE 88 1HG2 ILE 88 9.830 -0.335 4.259 772 HG22 ILE 88 2HG2 ILE 88 9.746 1.422 4.389 773 HG23 ILE 88 3HG2 ILE 88 11.309 0.629 4.196 774 HD11 ILE 88 3HD1 ILE 88 6.988 -0.784 1.877 775 HD12 ILE 88 1HD1 ILE 88 7.985 -0.915 3.326 776 HD13 ILE 88 2HD1 ILE 88 8.563 -1.564 1.788 777 H ARG 89 H ARG 89 12.792 1.189 0.595 778 HA ARG 89 HA ARG 89 14.712 1.323 2.670 779 HB2 ARG 89 2HB ARG 89 15.000 -0.319 0.929 780 HB3 ARG 89 1HB ARG 89 15.053 0.919 -0.321 781 HG2 ARG 89 2HG ARG 89 17.215 1.733 0.563 782 HG3 ARG 89 1HG ARG 89 17.158 0.512 1.837 783 HD2 ARG 89 2HD ARG 89 17.298 -1.280 0.183 784 HD3 ARG 89 1HD ARG 89 17.201 -0.113 -1.140 785 HE ARG 89 HE ARG 89 19.442 0.234 0.681 786 HH11 ARG 89 1HH1 ARG 89 18.359 -1.264 -2.327 787 HH12 ARG 89 2HH1 ARG 89 19.966 -1.435 -2.963 788 HH21 ARG 89 1HH2 ARG 89 21.558 0.017 -0.198 789 HH22 ARG 89 2HH2 ARG 89 21.762 -0.714 -1.760 790 HA PRO 90 HA PRO 90 16.568 5.358 0.580 791 HB2 PRO 90 2HB PRO 90 14.797 6.808 -1.071 792 HB3 PRO 90 1HB PRO 90 16.120 5.772 -1.640 793 HG2 PRO 90 2HG PRO 90 13.203 5.150 -1.428 794 HG3 PRO 90 1HG PRO 90 14.372 4.680 -2.684 795 HD2 PRO 90 2HD PRO 90 13.557 2.948 -0.783 796 HD3 PRO 90 1HD PRO 90 15.213 2.913 -1.428 797 H THR 91 H THR 91 13.020 5.340 1.148 798 HA THR 91 HA THR 91 12.688 7.759 2.516 799 HB THR 91 HB THR 91 11.282 5.085 2.907 800 HG1 THR 91 HG1 THR 91 10.230 5.743 1.206 801 HG21 THR 91 3HG2 THR 91 9.434 6.357 3.999 802 HG22 THR 91 1HG2 THR 91 10.440 7.802 4.002 803 HG23 THR 91 2HG2 THR 91 10.910 6.399 4.968 804 H TYR 92 H TYR 92 13.451 4.567 3.883 805 HA TYR 92 HA TYR 92 13.816 5.398 6.571 806 HB2 TYR 92 2HB TYR 92 13.273 3.053 5.873 807 HB3 TYR 92 1HB TYR 92 14.881 2.895 5.168 808 HD1 TYR 92 HD2 TYR 92 13.099 3.530 8.397 809 HD2 TYR 92 HD1 TYR 92 16.712 2.183 6.557 810 HE1 TYR 92 HE2 TYR 92 13.947 2.837 10.577 811 HE2 TYR 92 HE1 TYR 92 17.564 1.478 8.755 812 HH TYR 92 HH TYR 92 17.159 2.106 11.145 813 H ALA 93 H ALA 93 15.878 5.506 3.770 814 HA ALA 93 HA ALA 93 18.377 5.777 5.257 815 HB1 ALA 93 3HB ALA 93 19.409 5.973 3.034 816 HB2 ALA 93 1HB ALA 93 17.809 6.027 2.279 817 HB3 ALA 93 2HB ALA 93 18.345 4.569 3.115 818 H GLY 94 H GLY 94 15.852 7.837 4.855 819 HA2 GLY 94 2HA GLY 94 15.925 9.994 5.795 820 HA3 GLY 94 1HA GLY 94 17.595 10.175 5.292 821 H SER 95 H SER 95 16.164 8.949 2.604 822 HA SER 95 HA SER 95 15.952 11.425 1.248 823 HB2 SER 95 2HB SER 95 14.902 8.717 0.345 824 HB3 SER 95 1HB SER 95 15.253 10.107 -0.687 825 HG SER 95 HG SER 95 17.408 9.539 0.784 826 H LYS 96 H LYS 96 14.430 12.767 2.154 827 HA LYS 96 HA LYS 96 11.749 12.161 2.785 828 HB2 LYS 96 2HB LYS 96 11.437 14.477 3.151 829 HB3 LYS 96 1HB LYS 96 13.148 14.249 3.461 830 HG2 LYS 96 2HG LYS 96 11.906 15.462 0.972 831 HG3 LYS 96 1HG LYS 96 12.755 16.336 2.247 832 HD2 LYS 96 2HD LYS 96 14.865 15.294 1.627 833 HD3 LYS 96 1HD LYS 96 14.047 14.215 0.493 834 HE2 LYS 96 2HE LYS 96 13.340 16.281 -0.808 835 HE3 LYS 96 1HE LYS 96 14.419 17.214 0.239 836 HZ1 LYS 96 3HZ LYS 96 15.242 14.926 -1.469 837 HZ2 LYS 96 1HZ LYS 96 16.262 15.856 -0.500 838 HZ3 LYS 96 2HZ LYS 96 15.494 16.554 -1.826 839 H SER 97 H SER 97 13.289 12.760 -0.255 840 HA SER 97 HA SER 97 11.084 13.476 -1.856 841 HB2 SER 97 2HB SER 97 13.634 11.992 -2.631 842 HB3 SER 97 1HB SER 97 12.540 12.813 -3.750 843 HG SER 97 HG SER 97 13.735 14.483 -3.373 844 H ALA 98 H ALA 98 12.605 10.322 -1.162 845 HA ALA 98 HA ALA 98 10.804 8.678 -2.592 846 HB1 ALA 98 3HB ALA 98 12.548 7.998 -0.201 847 HB2 ALA 98 1HB ALA 98 13.025 7.919 -1.896 848 HB3 ALA 98 2HB ALA 98 11.773 6.834 -1.286 849 H MET 99 H MET 99 10.906 9.780 0.812 850 HA MET 99 HA MET 99 8.697 8.392 1.836 851 HB2 MET 99 2HB MET 99 10.262 9.606 3.303 852 HB3 MET 99 1HB MET 99 9.771 11.148 2.614 853 HG2 MET 99 2HG MET 99 7.429 10.668 3.501 854 HG3 MET 99 1HG MET 99 8.125 9.305 4.371 855 HE1 MET 99 3HE MET 99 9.379 13.684 5.140 856 HE2 MET 99 1HE MET 99 8.244 13.220 3.871 857 HE3 MET 99 2HE MET 99 9.945 12.757 3.754 858 H GLU 100 H GLU 100 8.896 11.447 0.087 859 HA GLU 100 HA GLU 100 6.244 12.378 0.345 860 HB2 GLU 100 2HB GLU 100 8.160 13.760 -0.430 861 HB3 GLU 100 1HB GLU 100 8.268 12.812 -1.909 862 HG2 GLU 100 2HG GLU 100 6.031 13.612 -2.587 863 HG3 GLU 100 1HG GLU 100 5.906 14.545 -1.095 864 H ARG 101 H ARG 101 7.831 10.367 -2.060 865 HA ARG 101 HA ARG 101 5.563 9.976 -3.802 866 HB2 ARG 101 2HB ARG 101 8.171 8.413 -3.573 867 HB3 ARG 101 1HB ARG 101 7.020 8.281 -4.901 868 HG2 ARG 101 2HG ARG 101 7.486 10.531 -5.637 869 HG3 ARG 101 1HG ARG 101 8.463 10.862 -4.202 870 HD2 ARG 101 2HD ARG 101 10.077 9.104 -4.938 871 HD3 ARG 101 1HD ARG 101 9.120 8.874 -6.406 872 HE ARG 101 HE ARG 101 9.612 11.314 -6.850 873 HH11 ARG 101 1HH1 ARG 101 11.859 9.323 -5.012 874 HH12 ARG 101 2HH1 ARG 101 13.248 10.263 -5.460 875 HH21 ARG 101 1HH2 ARG 101 11.462 12.501 -7.482 876 HH22 ARG 101 2HH2 ARG 101 13.016 12.053 -6.853 877 H LEU 102 H LEU 102 6.900 8.337 -1.035 878 HA LEU 102 HA LEU 102 5.609 5.806 -1.340 879 HB2 LEU 102 2HB LEU 102 7.755 6.233 -0.085 880 HB3 LEU 102 1HB LEU 102 6.847 7.103 1.137 881 HG LEU 102 HG LEU 102 5.718 5.030 1.829 882 HD11 LEU 102 1HD1 LEU 102 6.320 2.850 0.902 883 HD12 LEU 102 2HD1 LEU 102 7.292 3.638 -0.345 884 HD13 LEU 102 3HD1 LEU 102 5.543 3.881 -0.300 885 HD21 LEU 102 3HD2 LEU 102 7.875 5.568 2.861 886 HD22 LEU 102 1HD2 LEU 102 8.723 4.652 1.613 887 HD23 LEU 102 2HD2 LEU 102 7.648 3.826 2.745 888 H LYS 103 H LYS 103 5.016 8.654 0.761 889 HA LYS 103 HA LYS 103 2.573 7.813 1.902 890 HB2 LYS 103 2HB LYS 103 3.649 10.619 1.426 891 HB3 LYS 103 1HB LYS 103 2.225 10.262 2.398 892 HG2 LYS 103 2HG LYS 103 3.602 8.991 3.988 893 HG3 LYS 103 1HG LYS 103 5.041 9.296 3.010 894 HD2 LYS 103 2HD LYS 103 3.347 11.424 4.392 895 HD3 LYS 103 1HD LYS 103 4.917 10.839 4.946 896 HE2 LYS 103 2HE LYS 103 5.989 11.736 2.919 897 HE3 LYS 103 1HE LYS 103 4.421 12.270 2.305 898 HZ1 LYS 103 3HZ LYS 103 4.232 13.806 4.128 899 HZ2 LYS 103 1HZ LYS 103 5.701 14.070 3.354 900 HZ3 LYS 103 2HZ LYS 103 5.660 13.246 4.824 901 H ARG 104 H ARG 104 3.311 9.725 -1.004 902 HA ARG 104 HA ARG 104 0.684 10.264 -1.875 903 HB2 ARG 104 2HB ARG 104 2.705 11.334 -2.835 904 HB3 ARG 104 1HB ARG 104 3.205 9.799 -3.531 905 HG2 ARG 104 2HG ARG 104 1.151 9.816 -4.948 906 HG3 ARG 104 1HG ARG 104 0.739 11.402 -4.291 907 HD2 ARG 104 2HD ARG 104 2.828 12.326 -5.226 908 HD3 ARG 104 1HD ARG 104 3.246 10.732 -5.864 909 HE ARG 104 HE ARG 104 1.014 10.978 -7.129 910 HH11 ARG 104 1HH1 ARG 104 3.188 13.658 -6.469 911 HH12 ARG 104 2HH1 ARG 104 2.708 14.557 -7.873 912 HH21 ARG 104 1HH2 ARG 104 0.388 12.166 -8.973 913 HH22 ARG 104 2HH2 ARG 104 1.121 13.709 -9.290 914 H GLY 105 H GLY 105 2.782 7.463 -2.255 915 HA2 GLY 105 2HA GLY 105 1.248 5.941 -4.065 916 HA3 GLY 105 1HA GLY 105 2.438 5.316 -2.929 917 H ILE 106 H ILE 106 1.217 6.224 -0.522 918 HA ILE 106 HA ILE 106 -0.801 4.255 -0.106 919 HB ILE 106 HB ILE 106 0.545 6.310 1.619 920 HG12 ILE 106 2HG1 ILE 106 0.729 4.364 3.186 921 HG13 ILE 106 1HG1 ILE 106 -0.244 3.396 2.093 922 HG21 ILE 106 1HG2 ILE 106 -1.772 6.906 2.166 923 HG22 ILE 106 2HG2 ILE 106 -1.036 6.059 3.526 924 HG23 ILE 106 3HG2 ILE 106 -2.164 5.212 2.467 925 HD11 ILE 106 3HD1 ILE 106 1.529 3.518 0.423 926 HD12 ILE 106 1HD1 ILE 106 2.118 2.866 1.952 927 HD13 ILE 106 2HD1 ILE 106 2.477 4.533 1.508 928 H ILE 107 H ILE 107 -0.963 7.811 -0.568 929 HA ILE 107 HA ILE 107 -3.753 8.117 -0.183 930 HB ILE 107 HB ILE 107 -1.907 9.720 -2.024 931 HG12 ILE 107 2HG1 ILE 107 -2.839 10.306 0.831 932 HG13 ILE 107 1HG1 ILE 107 -1.224 9.776 0.369 933 HG21 ILE 107 1HG2 ILE 107 -4.696 10.441 -1.022 934 HG22 ILE 107 2HG2 ILE 107 -4.266 10.032 -2.683 935 HG23 ILE 107 3HG2 ILE 107 -3.632 11.504 -1.950 936 HD11 ILE 107 3HD1 ILE 107 -2.518 12.391 -0.387 937 HD12 ILE 107 1HD1 ILE 107 -0.914 11.850 -0.896 938 HD13 ILE 107 2HD1 ILE 107 -1.251 12.135 0.810 939 H HIS 108 H HIS 108 -1.810 7.266 -2.990 940 HA HIS 108 HA HIS 108 -3.845 7.241 -4.964 941 HB2 HIS 108 2HB HIS 108 -1.362 7.360 -5.453 942 HB3 HIS 108 1HB HIS 108 -1.218 5.676 -4.962 943 HD1 HIS 108 HD1 HIS 108 -0.538 4.776 -7.224 944 HD2 HIS 108 HD2 HIS 108 -4.088 6.922 -7.363 945 HE1 HIS 108 HE1 HIS 108 -1.474 4.385 -9.520 946 HE2 HIS 108 HE2 HIS 108 -3.623 5.686 -9.562 947 H ALA 109 H ALA 109 -2.278 4.665 -3.061 948 HA ALA 109 HA ALA 109 -3.682 2.490 -4.204 949 HB1 ALA 109 3HB ALA 109 -2.709 1.157 -2.382 950 HB2 ALA 109 1HB ALA 109 -2.220 2.638 -1.540 951 HB3 ALA 109 2HB ALA 109 -1.503 2.224 -3.097 952 H ARG 110 H ARG 110 -4.279 4.510 -1.365 953 HA ARG 110 HA ARG 110 -6.350 2.923 -0.191 954 HB2 ARG 110 2HB ARG 110 -4.944 4.654 1.019 955 HB3 ARG 110 1HB ARG 110 -5.834 5.915 0.177 956 HG2 ARG 110 2HG ARG 110 -7.928 5.137 1.272 957 HG3 ARG 110 1HG ARG 110 -7.002 3.903 2.139 958 HD2 ARG 110 2HD ARG 110 -7.395 5.857 3.568 959 HD3 ARG 110 1HD ARG 110 -5.669 5.683 3.241 960 HE ARG 110 HE ARG 110 -6.619 7.400 1.309 961 HH11 ARG 110 1HH1 ARG 110 -6.509 7.463 4.832 962 HH12 ARG 110 2HH1 ARG 110 -6.431 9.195 4.918 963 HH21 ARG 110 1HH2 ARG 110 -6.538 9.660 1.429 964 HH22 ARG 110 2HH2 ARG 110 -6.451 10.445 2.976 965 H ALA 111 H ALA 111 -6.252 5.638 -2.465 966 HA ALA 111 HA ALA 111 -9.072 6.060 -2.694 967 HB1 ALA 111 3HB ALA 111 -8.496 7.378 -4.702 968 HB2 ALA 111 1HB ALA 111 -6.842 6.750 -4.654 969 HB3 ALA 111 2HB ALA 111 -7.434 7.787 -3.356 970 H LEU 112 H LEU 112 -6.706 4.023 -4.352 971 HA LEU 112 HA LEU 112 -8.353 3.074 -6.458 972 HB2 LEU 112 2HB LEU 112 -5.865 1.875 -5.174 973 HB3 LEU 112 1HB LEU 112 -6.640 1.176 -6.589 974 HG LEU 112 HG LEU 112 -5.429 3.970 -6.472 975 HD11 LEU 112 1HD1 LEU 112 -3.691 2.265 -6.331 976 HD12 LEU 112 2HD1 LEU 112 -3.629 3.098 -7.881 977 HD13 LEU 112 3HD1 LEU 112 -4.314 1.473 -7.781 978 HD21 LEU 112 3HD2 LEU 112 -6.569 2.461 -8.846 979 HD22 LEU 112 1HD2 LEU 112 -5.731 4.013 -8.912 980 HD23 LEU 112 2HD2 LEU 112 -7.271 3.883 -8.067 981 H VAL 113 H VAL 113 -7.626 1.768 -3.202 982 HA VAL 113 HA VAL 113 -9.240 -0.553 -3.408 983 HB VAL 113 HB VAL 113 -8.416 0.919 -0.852 984 HG11 VAL 113 1HG1 VAL 113 -9.439 -1.935 -1.214 985 HG12 VAL 113 2HG1 VAL 113 -10.301 -0.605 -0.433 986 HG13 VAL 113 3HG1 VAL 113 -8.828 -1.246 0.292 987 HG21 VAL 113 3HG2 VAL 113 -7.072 -1.447 -2.220 988 HG22 VAL 113 1HG2 VAL 113 -6.574 -0.704 -0.697 989 HG23 VAL 113 2HG2 VAL 113 -6.467 0.207 -2.201 990 H ARG 114 H ARG 114 -9.859 2.718 -2.279 991 HA ARG 114 HA ARG 114 -12.328 2.361 -1.001 992 HB2 ARG 114 2HB ARG 114 -10.696 4.378 -0.947 993 HB3 ARG 114 1HB ARG 114 -11.451 4.899 -2.447 994 HG2 ARG 114 2HG ARG 114 -12.429 6.118 -0.609 995 HG3 ARG 114 1HG ARG 114 -13.646 5.012 -1.257 996 HD2 ARG 114 2HD ARG 114 -13.450 3.533 0.591 997 HD3 ARG 114 1HD ARG 114 -11.927 4.251 1.125 998 HE ARG 114 HE ARG 114 -14.478 5.755 1.242 999 HH11 ARG 114 1HH1 ARG 114 -11.643 4.441 2.842 1000 HH12 ARG 114 2HH1 ARG 114 -11.953 5.252 4.341 1001 HH21 ARG 114 1HH2 ARG 114 -14.884 6.796 3.250 1002 HH22 ARG 114 2HH2 ARG 114 -13.782 6.582 4.572 1003 H GLU 115 H GLU 115 -11.634 3.561 -4.282 1004 HA GLU 115 HA GLU 115 -14.375 3.753 -5.078 1005 HB2 GLU 115 2HB GLU 115 -11.863 3.782 -6.795 1006 HB3 GLU 115 1HB GLU 115 -13.463 4.316 -7.300 1007 HG2 GLU 115 2HG GLU 115 -11.732 5.589 -5.161 1008 HG3 GLU 115 1HG GLU 115 -12.025 6.218 -6.779 1009 H CYS 116 H CYS 116 -11.957 1.201 -5.266 1010 HA CYS 116 HA CYS 116 -13.300 -0.337 -7.286 1011 HB2 CYS 116 2HB CYS 116 -10.898 -0.633 -6.858 1012 HB3 CYS 116 1HB CYS 116 -11.246 -1.244 -5.242 1013 HG CYS 116 HG CYS 116 -12.327 -3.601 -6.013 1014 H LEU 117 H LEU 117 -13.218 -0.412 -3.707 1015 HA LEU 117 HA LEU 117 -14.799 -2.618 -3.155 1016 HB2 LEU 117 2HB LEU 117 -14.550 0.058 -1.732 1017 HB3 LEU 117 1HB LEU 117 -15.600 -1.192 -1.098 1018 HG LEU 117 HG LEU 117 -12.596 -1.546 -1.485 1019 HD11 LEU 117 1HD1 LEU 117 -14.117 -0.923 1.081 1020 HD12 LEU 117 2HD1 LEU 117 -13.055 0.186 0.207 1021 HD13 LEU 117 3HD1 LEU 117 -12.390 -1.268 0.946 1022 HD21 LEU 117 3HD2 LEU 117 -12.894 -3.535 -0.063 1023 HD22 LEU 117 1HD2 LEU 117 -13.838 -3.651 -1.548 1024 HD23 LEU 117 2HD2 LEU 117 -14.638 -3.258 -0.026 1025 H ALA 118 H ALA 118 -15.747 0.553 -4.313 1026 HA ALA 118 HA ALA 118 -18.498 0.543 -3.869 1027 HB1 ALA 118 3HB ALA 118 -17.260 2.546 -4.565 1028 HB2 ALA 118 1HB ALA 118 -18.630 2.250 -5.635 1029 HB3 ALA 118 2HB ALA 118 -16.994 1.839 -6.161 1030 H GLU 119 H GLU 119 -16.759 -0.418 -6.897 1031 HA GLU 119 HA GLU 119 -19.181 -1.518 -8.051 1032 HB2 GLU 119 2HB GLU 119 -17.810 -1.902 -10.037 1033 HB3 GLU 119 1HB GLU 119 -17.588 -0.258 -9.443 1034 HG2 GLU 119 2HG GLU 119 -15.425 -0.870 -8.452 1035 HG3 GLU 119 1HG GLU 119 -15.665 -2.553 -8.927 1036 H THR 120 H THR 120 -16.567 -2.765 -6.165 1037 HA THR 120 HA THR 120 -16.645 -5.488 -7.145 1038 HB THR 120 HB THR 120 -15.339 -4.397 -4.594 1039 HG1 THR 120 HG1 THR 120 -14.640 -3.700 -6.851 1040 HG21 THR 120 3HG2 THR 120 -15.632 -6.857 -4.469 1041 HG22 THR 120 1HG2 THR 120 -13.928 -6.450 -4.688 1042 HG23 THR 120 2HG2 THR 120 -14.880 -7.042 -6.053 1043 H GLU 121 H GLU 121 -18.371 -3.543 -4.879 1044 HA GLU 121 HA GLU 121 -19.572 -5.546 -3.256 1045 HB2 GLU 121 2HB GLU 121 -19.470 -3.015 -2.801 1046 HB3 GLU 121 1HB GLU 121 -20.782 -2.831 -3.963 1047 HG2 GLU 121 2HG GLU 121 -22.227 -4.281 -2.553 1048 HG3 GLU 121 1HG GLU 121 -20.894 -4.496 -1.423 1049 H ARG 122 H ARG 122 -20.151 -4.461 -6.508 1050 HA ARG 122 HA ARG 122 -22.771 -5.432 -6.943 1051 HB2 ARG 122 2HB ARG 122 -21.681 -3.910 -8.515 1052 HB3 ARG 122 1HB ARG 122 -20.374 -5.056 -8.794 1053 HG2 ARG 122 2HG ARG 122 -22.062 -6.626 -9.815 1054 HG3 ARG 122 1HG ARG 122 -23.268 -5.344 -9.666 1055 HD2 ARG 122 2HD ARG 122 -22.056 -3.931 -11.203 1056 HD3 ARG 122 1HD ARG 122 -20.658 -5.017 -11.185 1057 HE ARG 122 HE ARG 122 -23.293 -5.835 -12.265 1058 HH11 ARG 122 1HH1 ARG 122 -19.802 -5.583 -12.653 1059 HH12 ARG 122 2HH1 ARG 122 -19.791 -6.462 -14.147 1060 HH21 ARG 122 1HH2 ARG 122 -23.260 -7.011 -14.197 1061 HH22 ARG 122 2HH2 ARG 122 -21.750 -7.270 -15.016 1062 H ASN 123 H ASN 123 -19.550 -6.933 -7.128 1063 HA ASN 123 HA ASN 123 -20.348 -9.450 -8.222 1064 HB2 ASN 123 2HB ASN 123 -17.990 -8.695 -8.375 1065 HB3 ASN 123 1HB ASN 123 -17.847 -8.683 -6.619 1066 HD21 ASN 123 1HD2 ASN 123 -17.568 -10.668 -5.520 1067 HD22 ASN 123 2HD2 ASN 123 -17.226 -12.152 -6.341 1068 H ALA 124 H ALA 124 -21.786 -10.682 -7.170 1069 HA ALA 124 HA ALA 124 -22.284 -10.694 -4.368 1070 HB1 ALA 124 3HB ALA 124 -24.049 -11.209 -6.013 1071 HB2 ALA 124 1HB ALA 124 -23.857 -12.535 -4.863 1072 HB3 ALA 124 2HB ALA 124 -23.194 -12.673 -6.495 1073 H ARG 125 H ARG 125 -21.766 -12.195 -2.832 1074 HA ARG 125 HA ARG 125 -19.219 -13.477 -3.088 1075 HB2 ARG 125 2HB ARG 125 -19.858 -12.288 -1.035 1076 HB3 ARG 125 1HB ARG 125 -21.220 -13.368 -0.789 1077 HG2 ARG 125 2HG ARG 125 -19.375 -13.871 0.744 1078 HG3 ARG 125 1HG ARG 125 -19.692 -15.236 -0.330 1079 HD2 ARG 125 2HD ARG 125 -17.289 -14.839 -0.001 1080 HD3 ARG 125 1HD ARG 125 -17.759 -14.636 -1.693 1081 HE ARG 125 HE ARG 125 -17.509 -12.283 0.083 1082 HH11 ARG 125 1HH1 ARG 125 -16.428 -14.047 -2.750 1083 HH12 ARG 125 2HH1 ARG 125 -15.458 -12.737 -3.340 1084 HH21 ARG 125 1HH2 ARG 125 -16.195 -10.561 -0.715 1085 HH22 ARG 125 2HH2 ARG 125 -15.325 -10.787 -2.207 1086 H THR 126 H THR 126 -19.447 -15.131 -4.552 1087 HA THR 126 HA THR 126 -20.689 -17.603 -3.521 1088 HB THR 126 HB THR 126 -21.073 -18.216 -6.040 1089 HG1 THR 126 HG1 THR 126 -19.942 -16.315 -6.801 1090 HG21 THR 126 3HG2 THR 126 -23.324 -17.223 -6.097 1091 HG22 THR 126 1HG2 THR 126 -22.879 -16.106 -4.803 1092 HG23 THR 126 2HG2 THR 126 -22.964 -17.840 -4.484 Start of MODEL 18 1 H1 SER 58 1H SER 58 -25.673 -33.713 -19.167 2 H2 SER 58 2H SER 58 -25.368 -33.750 -17.502 3 H3 SER 58 3H SER 58 -24.465 -32.730 -18.506 4 HA SER 58 HA SER 58 -26.372 -31.417 -19.008 5 HB2 SER 58 2HB SER 58 -27.852 -33.276 -17.089 6 HB3 SER 58 1HB SER 58 -28.542 -31.892 -17.944 7 HG SER 58 HG SER 58 -28.747 -33.069 -19.666 8 H HIS 59 H HIS 59 -27.475 -29.908 -17.298 9 HA HIS 59 HA HIS 59 -25.478 -29.144 -15.373 10 HB2 HIS 59 2HB HIS 59 -26.873 -27.460 -16.597 11 HB3 HIS 59 1HB HIS 59 -28.305 -28.036 -15.746 12 HD1 HIS 59 HD1 HIS 59 -28.534 -27.364 -13.231 13 HD2 HIS 59 HD2 HIS 59 -25.123 -25.874 -15.091 14 HE1 HIS 59 HE1 HIS 59 -27.605 -25.630 -11.670 15 HE2 HIS 59 HE2 HIS 59 -25.419 -24.958 -12.691 16 H MET 60 H MET 60 -25.248 -30.380 -13.576 17 HA MET 60 HA MET 60 -27.644 -30.952 -11.926 18 HB2 MET 60 2HB MET 60 -26.706 -33.034 -13.037 19 HB3 MET 60 1HB MET 60 -25.210 -32.778 -12.152 20 HG2 MET 60 2HG MET 60 -26.458 -32.995 -10.022 21 HG3 MET 60 1HG MET 60 -27.932 -33.308 -10.934 22 HE1 MET 60 3HE MET 60 -28.318 -35.506 -12.430 23 HE2 MET 60 1HE MET 60 -27.102 -36.765 -12.634 24 HE3 MET 60 2HE MET 60 -26.844 -35.170 -13.338 25 H ALA 61 H ALA 61 -27.483 -29.541 -10.324 26 HA ALA 61 HA ALA 61 -25.160 -29.349 -8.607 27 HB1 ALA 61 3HB ALA 61 -24.567 -27.714 -10.367 28 HB2 ALA 61 1HB ALA 61 -24.920 -26.894 -8.843 29 HB3 ALA 61 2HB ALA 61 -26.114 -26.898 -10.142 30 H MET 62 H MET 62 -25.799 -28.858 -6.554 31 HA MET 62 HA MET 62 -28.608 -28.594 -5.926 32 HB2 MET 62 2HB MET 62 -26.121 -28.626 -4.171 33 HB3 MET 62 1HB MET 62 -27.756 -28.523 -3.536 34 HG2 MET 62 2HG MET 62 -28.272 -30.725 -4.557 35 HG3 MET 62 1HG MET 62 -26.598 -30.827 -5.117 36 HE1 MET 62 3HE MET 62 -26.757 -33.415 -2.098 37 HE2 MET 62 1HE MET 62 -26.441 -33.234 -3.824 38 HE3 MET 62 2HE MET 62 -28.083 -33.054 -3.201 39 H LYS 63 H LYS 63 -25.967 -26.468 -6.440 40 HA LYS 63 HA LYS 63 -25.586 -24.273 -6.403 41 HB2 LYS 63 2HB LYS 63 -27.758 -24.454 -7.801 42 HB3 LYS 63 1HB LYS 63 -28.588 -23.809 -6.401 43 HG2 LYS 63 2HG LYS 63 -26.308 -22.341 -7.775 44 HG3 LYS 63 1HG LYS 63 -27.995 -22.159 -8.256 45 HD2 LYS 63 2HD LYS 63 -28.550 -21.332 -5.997 46 HD3 LYS 63 1HD LYS 63 -26.866 -21.525 -5.510 47 HE2 LYS 63 2HE LYS 63 -27.326 -19.187 -6.016 48 HE3 LYS 63 1HE LYS 63 -26.203 -19.845 -7.208 49 HZ1 LYS 63 3HZ LYS 63 -27.965 -20.019 -8.785 50 HZ2 LYS 63 1HZ LYS 63 -27.988 -18.454 -8.151 51 HZ3 LYS 63 2HZ LYS 63 -29.130 -19.591 -7.637 52 HA PRO 64 HA PRO 64 -25.766 -23.711 -1.793 53 HB2 PRO 64 2HB PRO 64 -23.290 -22.144 -2.541 54 HB3 PRO 64 1HB PRO 64 -23.509 -23.358 -1.262 55 HG2 PRO 64 2HG PRO 64 -22.151 -23.971 -3.451 56 HG3 PRO 64 1HG PRO 64 -23.271 -25.152 -2.728 57 HD2 PRO 64 2HD PRO 64 -23.692 -23.373 -5.126 58 HD3 PRO 64 1HD PRO 64 -24.100 -25.092 -4.912 59 HA PRO 65 HA PRO 65 -27.656 -19.606 -1.695 60 HB2 PRO 65 2HB PRO 65 -26.707 -18.619 0.742 61 HB3 PRO 65 1HB PRO 65 -28.044 -19.775 0.587 62 HG2 PRO 65 2HG PRO 65 -25.152 -20.311 1.175 63 HG3 PRO 65 1HG PRO 65 -26.606 -21.000 1.939 64 HD2 PRO 65 2HD PRO 65 -25.261 -22.407 0.111 65 HD3 PRO 65 1HD PRO 65 -27.037 -22.437 0.139 66 H GLY 66 H GLY 66 -26.657 -18.623 -3.415 67 HA2 GLY 66 2HA GLY 66 -23.997 -17.599 -3.455 68 HA3 GLY 66 1HA GLY 66 -25.275 -17.247 -4.609 69 H ALA 67 H ALA 67 -23.693 -15.234 -4.171 70 HA ALA 67 HA ALA 67 -23.458 -13.083 -3.560 71 HB1 ALA 67 3HB ALA 67 -25.451 -11.763 -3.008 72 HB2 ALA 67 1HB ALA 67 -26.375 -13.241 -2.724 73 HB3 ALA 67 2HB ALA 67 -25.789 -12.862 -4.345 74 H GLN 68 H GLN 68 -22.893 -15.238 -1.637 75 HA GLN 68 HA GLN 68 -23.425 -14.203 1.025 76 HB2 GLN 68 2HB GLN 68 -23.474 -16.639 0.565 77 HB3 GLN 68 1HB GLN 68 -21.781 -16.596 0.091 78 HG2 GLN 68 2HG GLN 68 -21.139 -15.983 2.385 79 HG3 GLN 68 1HG GLN 68 -22.839 -15.943 2.855 80 HE21 GLN 68 1HE2 GLN 68 -22.480 -17.508 4.467 81 HE22 GLN 68 2HE2 GLN 68 -22.202 -19.173 4.097 82 H GLY 69 H GLY 69 -22.359 -12.280 1.130 83 HA2 GLY 69 2HA GLY 69 -20.093 -11.768 2.281 84 HA3 GLY 69 1HA GLY 69 -19.450 -12.147 0.686 85 H SER 70 H SER 70 -18.669 -9.834 1.099 86 HA SER 70 HA SER 70 -20.118 -7.959 -0.484 87 HB2 SER 70 2HB SER 70 -20.484 -6.245 1.356 88 HB3 SER 70 1HB SER 70 -21.507 -7.675 1.505 89 HG SER 70 HG SER 70 -19.230 -8.132 2.833 90 H GLN 71 H GLN 71 -19.024 -5.645 -0.085 91 HA GLN 71 HA GLN 71 -16.342 -5.839 -0.838 92 HB2 GLN 71 2HB GLN 71 -16.203 -3.463 -0.838 93 HB3 GLN 71 1HB GLN 71 -17.835 -3.855 -1.334 94 HG2 GLN 71 2HG GLN 71 -17.179 -3.097 1.514 95 HG3 GLN 71 1HG GLN 71 -17.473 -1.880 0.278 96 HE21 GLN 71 1HE2 GLN 71 -19.254 -1.080 1.411 97 HE22 GLN 71 2HE2 GLN 71 -20.775 -1.902 1.460 98 H SER 72 H SER 72 -17.729 -5.640 2.378 99 HA SER 72 HA SER 72 -15.700 -4.624 3.915 100 HB2 SER 72 2HB SER 72 -16.640 -6.021 5.783 101 HB3 SER 72 1HB SER 72 -17.879 -5.188 4.843 102 HG SER 72 HG SER 72 -18.515 -7.317 5.110 103 H THR 73 H THR 73 -15.548 -7.650 2.213 104 HA THR 73 HA THR 73 -13.497 -8.901 3.835 105 HB THR 73 HB THR 73 -15.009 -10.246 2.383 106 HG1 THR 73 HG1 THR 73 -12.614 -10.817 1.170 107 HG21 THR 73 3HG2 THR 73 -13.487 -9.112 0.006 108 HG22 THR 73 1HG2 THR 73 -15.156 -8.707 0.414 109 HG23 THR 73 2HG2 THR 73 -14.734 -10.358 -0.039 110 H TYR 74 H TYR 74 -13.653 -6.859 0.991 111 HA TYR 74 HA TYR 74 -10.806 -6.731 0.483 112 HB2 TYR 74 2HB TYR 74 -12.353 -6.809 -1.386 113 HB3 TYR 74 1HB TYR 74 -13.255 -5.430 -0.770 114 HD1 TYR 74 HD1 TYR 74 -9.672 -6.205 -1.685 115 HD2 TYR 74 HD2 TYR 74 -12.932 -3.470 -1.973 116 HE1 TYR 74 HE1 TYR 74 -8.308 -4.709 -3.064 117 HE2 TYR 74 HE2 TYR 74 -11.565 -1.975 -3.340 118 HH TYR 74 HH TYR 74 -8.670 -2.908 -4.749 119 H THR 75 H THR 75 -13.127 -4.938 2.367 120 HA THR 75 HA THR 75 -11.962 -2.346 2.298 121 HB THR 75 HB THR 75 -13.693 -3.482 4.546 122 HG1 THR 75 HG1 THR 75 -14.965 -2.016 2.632 123 HG21 THR 75 3HG2 THR 75 -12.720 -1.229 5.034 124 HG22 THR 75 1HG2 THR 75 -14.465 -1.135 4.792 125 HG23 THR 75 2HG2 THR 75 -13.369 -0.624 3.508 126 H ASP 76 H ASP 76 -11.162 -5.208 4.088 127 HA ASP 76 HA ASP 76 -9.571 -4.274 6.169 128 HB2 ASP 76 2HB ASP 76 -9.259 -6.710 4.362 129 HB3 ASP 76 1HB ASP 76 -8.246 -6.436 5.778 130 H LEU 77 H LEU 77 -8.829 -4.599 2.727 131 HA LEU 77 HA LEU 77 -6.069 -4.018 2.821 132 HB2 LEU 77 2HB LEU 77 -7.132 -5.033 0.846 133 HB3 LEU 77 1HB LEU 77 -8.051 -3.561 0.556 134 HG LEU 77 HG LEU 77 -5.994 -2.330 0.031 135 HD11 LEU 77 1HD1 LEU 77 -4.472 -4.904 0.545 136 HD12 LEU 77 2HD1 LEU 77 -4.400 -3.430 1.517 137 HD13 LEU 77 3HD1 LEU 77 -3.802 -3.418 -0.138 138 HD21 LEU 77 3HD2 LEU 77 -5.361 -3.455 -2.055 139 HD22 LEU 77 1HD2 LEU 77 -7.105 -3.478 -1.808 140 HD23 LEU 77 2HD2 LEU 77 -6.153 -4.935 -1.508 141 H LEU 78 H LEU 78 -8.933 -1.924 2.486 142 HA LEU 78 HA LEU 78 -7.704 0.555 2.027 143 HB2 LEU 78 2HB LEU 78 -10.176 0.123 1.917 144 HB3 LEU 78 1HB LEU 78 -10.218 0.039 3.670 145 HG LEU 78 HG LEU 78 -9.389 2.448 3.715 146 HD11 LEU 78 1HD1 LEU 78 -9.665 3.822 1.678 147 HD12 LEU 78 2HD1 LEU 78 -9.994 2.365 0.738 148 HD13 LEU 78 3HD1 LEU 78 -8.411 2.598 1.485 149 HD21 LEU 78 3HD2 LEU 78 -11.749 1.871 4.108 150 HD22 LEU 78 1HD2 LEU 78 -12.073 1.983 2.376 151 HD23 LEU 78 2HD2 LEU 78 -11.597 3.421 3.282 152 H SER 79 H SER 79 -8.331 -1.193 5.030 153 HA SER 79 HA SER 79 -7.486 0.810 6.863 154 HB2 SER 79 2HB SER 79 -7.596 -2.218 7.234 155 HB3 SER 79 1HB SER 79 -7.503 -1.017 8.524 156 HG SER 79 HG SER 79 -9.564 -0.379 6.963 157 H VAL 80 H VAL 80 -5.823 -1.988 5.349 158 HA VAL 80 HA VAL 80 -3.380 -1.824 6.749 159 HB VAL 80 HB VAL 80 -3.920 -2.945 3.956 160 HG11 VAL 80 1HG1 VAL 80 -1.502 -3.412 5.746 161 HG12 VAL 80 2HG1 VAL 80 -1.519 -2.531 4.216 162 HG13 VAL 80 3HG1 VAL 80 -1.838 -4.265 4.234 163 HG21 VAL 80 3HG2 VAL 80 -5.259 -4.057 5.697 164 HG22 VAL 80 1HG2 VAL 80 -3.806 -4.381 6.643 165 HG23 VAL 80 2HG2 VAL 80 -4.032 -5.152 5.071 166 H ILE 81 H ILE 81 -4.388 -0.415 3.635 167 HA ILE 81 HA ILE 81 -2.066 0.895 2.855 168 HB ILE 81 HB ILE 81 -4.955 1.816 2.466 169 HG12 ILE 81 2HG1 ILE 81 -4.647 -0.413 1.539 170 HG13 ILE 81 1HG1 ILE 81 -4.753 0.727 0.213 171 HG21 ILE 81 1HG2 ILE 81 -3.434 3.669 2.018 172 HG22 ILE 81 2HG2 ILE 81 -4.116 3.078 0.504 173 HG23 ILE 81 3HG2 ILE 81 -2.462 2.654 0.950 174 HD11 ILE 81 3HD1 ILE 81 -3.082 -0.955 -0.231 175 HD12 ILE 81 1HD1 ILE 81 -2.237 -0.570 1.267 176 HD13 ILE 81 2HD1 ILE 81 -2.299 0.613 -0.042 177 H GLU 82 H GLU 82 -4.720 2.117 4.896 178 HA GLU 82 HA GLU 82 -3.654 4.695 5.393 179 HB2 GLU 82 2HB GLU 82 -5.730 3.053 6.883 180 HB3 GLU 82 1HB GLU 82 -5.380 4.737 7.262 181 HG2 GLU 82 2HG GLU 82 -6.401 3.702 4.603 182 HG3 GLU 82 1HG GLU 82 -7.378 4.488 5.844 183 H GLU 83 H GLU 83 -3.368 1.651 7.162 184 HA GLU 83 HA GLU 83 -2.200 2.809 9.499 185 HB2 GLU 83 2HB GLU 83 -2.365 -0.066 8.531 186 HB3 GLU 83 1HB GLU 83 -1.614 0.389 10.056 187 HG2 GLU 83 2HG GLU 83 -4.512 0.831 9.290 188 HG3 GLU 83 1HG GLU 83 -3.900 -0.385 10.409 189 H MET 84 H MET 84 -0.793 1.006 6.703 190 HA MET 84 HA MET 84 1.913 1.325 7.304 191 HB2 MET 84 2HB MET 84 0.517 1.245 4.595 192 HB3 MET 84 1HB MET 84 2.265 1.259 4.765 193 HG2 MET 84 2HG MET 84 2.110 -0.855 6.067 194 HG3 MET 84 1HG MET 84 0.378 -0.888 5.732 195 HE1 MET 84 3HE MET 84 0.434 0.285 2.610 196 HE2 MET 84 1HE MET 84 -0.609 -1.033 3.157 197 HE3 MET 84 2HE MET 84 0.437 -1.256 1.755 198 H GLY 85 H GLY 85 -0.380 3.557 5.769 199 HA2 GLY 85 2HA GLY 85 1.380 5.580 4.913 200 HA3 GLY 85 1HA GLY 85 -0.322 5.797 5.290 201 H LYS 86 H LYS 86 0.387 4.780 8.104 202 HA LYS 86 HA LYS 86 1.171 7.367 9.255 203 HB2 LYS 86 2HB LYS 86 0.253 4.800 10.613 204 HB3 LYS 86 1HB LYS 86 0.509 6.352 11.406 205 HG2 LYS 86 2HG LYS 86 -1.333 7.341 10.103 206 HG3 LYS 86 1HG LYS 86 -1.576 5.800 9.273 207 HD2 LYS 86 2HD LYS 86 -2.108 4.733 11.476 208 HD3 LYS 86 1HD LYS 86 -1.943 6.311 12.256 209 HE2 LYS 86 2HE LYS 86 -4.295 5.809 11.886 210 HE3 LYS 86 1HE LYS 86 -3.824 7.160 10.855 211 HZ1 LYS 86 3HZ LYS 86 -4.106 4.328 10.006 212 HZ2 LYS 86 1HZ LYS 86 -3.638 5.608 9.002 213 HZ3 LYS 86 2HZ LYS 86 -5.191 5.580 9.672 214 H GLU 87 H GLU 87 2.348 4.114 8.771 215 HA GLU 87 HA GLU 87 4.461 4.241 10.754 216 HB2 GLU 87 2HB GLU 87 3.793 2.117 8.672 217 HB3 GLU 87 1HB GLU 87 4.968 1.940 9.980 218 HG2 GLU 87 2HG GLU 87 3.181 2.166 11.646 219 HG3 GLU 87 1HG GLU 87 1.994 2.406 10.370 220 H ILE 88 H ILE 88 4.131 5.321 7.580 221 HA ILE 88 HA ILE 88 6.763 5.023 6.564 222 HB ILE 88 HB ILE 88 4.659 7.169 6.002 223 HG12 ILE 88 2HG1 ILE 88 5.409 4.683 4.385 224 HG13 ILE 88 1HG1 ILE 88 4.001 4.809 5.428 225 HG21 ILE 88 1HG2 ILE 88 6.860 8.048 5.369 226 HG22 ILE 88 2HG2 ILE 88 5.928 7.677 3.921 227 HG23 ILE 88 3HG2 ILE 88 7.212 6.586 4.441 228 HD11 ILE 88 3HD1 ILE 88 3.478 5.068 3.063 229 HD12 ILE 88 1HD1 ILE 88 4.498 6.498 2.988 230 HD13 ILE 88 2HD1 ILE 88 3.048 6.496 3.998 231 H ARG 89 H ARG 89 5.258 7.385 8.723 232 HA ARG 89 HA ARG 89 7.312 9.328 8.602 233 HB2 ARG 89 2HB ARG 89 4.986 9.847 9.253 234 HB3 ARG 89 1HB ARG 89 5.192 8.967 10.761 235 HG2 ARG 89 2HG ARG 89 6.811 10.596 11.549 236 HG3 ARG 89 1HG ARG 89 6.827 11.404 9.982 237 HD2 ARG 89 2HD ARG 89 4.480 12.081 10.289 238 HD3 ARG 89 1HD ARG 89 4.429 11.236 11.842 239 HE ARG 89 HE ARG 89 6.527 13.024 12.043 240 HH11 ARG 89 1HH1 ARG 89 3.052 13.327 11.452 241 HH12 ARG 89 2HH1 ARG 89 2.951 14.900 12.176 242 HH21 ARG 89 1HH2 ARG 89 6.375 15.062 13.005 243 HH22 ARG 89 2HH2 ARG 89 4.850 15.896 13.065 244 HA PRO 90 HA PRO 90 9.195 7.414 12.683 245 HB2 PRO 90 2HB PRO 90 8.546 4.781 13.252 246 HB3 PRO 90 1HB PRO 90 7.753 6.185 13.995 247 HG2 PRO 90 2HG PRO 90 6.829 4.513 11.678 248 HG3 PRO 90 1HG PRO 90 5.899 5.127 13.067 249 HD2 PRO 90 2HD PRO 90 5.785 6.338 10.670 250 HD3 PRO 90 1HD PRO 90 5.742 7.276 12.182 251 H THR 91 H THR 91 8.497 5.153 9.977 252 HA THR 91 HA THR 91 10.987 3.857 9.795 253 HB THR 91 HB THR 91 9.017 4.628 7.593 254 HG1 THR 91 HG1 THR 91 8.030 2.864 8.200 255 HG21 THR 91 3HG2 THR 91 11.375 2.706 7.377 256 HG22 THR 91 1HG2 THR 91 11.201 4.234 6.510 257 HG23 THR 91 2HG2 THR 91 10.102 2.897 6.170 258 H TYR 92 H TYR 92 9.878 6.854 8.262 259 HA TYR 92 HA TYR 92 12.240 7.647 6.979 260 HB2 TYR 92 2HB TYR 92 10.008 8.623 6.486 261 HB3 TYR 92 1HB TYR 92 9.976 9.383 8.076 262 HD1 TYR 92 HD2 TYR 92 11.923 9.286 4.896 263 HD2 TYR 92 HD1 TYR 92 10.911 11.579 8.341 264 HE1 TYR 92 HE2 TYR 92 13.104 11.200 3.965 265 HE2 TYR 92 HE1 TYR 92 12.101 13.515 7.405 266 HH TYR 92 HH TYR 92 13.488 13.428 4.172 267 H ALA 93 H ALA 93 11.175 7.949 10.294 268 HA ALA 93 HA ALA 93 13.179 9.877 11.095 269 HB1 ALA 93 3HB ALA 93 11.240 8.247 12.760 270 HB2 ALA 93 1HB ALA 93 10.940 9.860 12.109 271 HB3 ALA 93 2HB ALA 93 12.194 9.621 13.328 272 H GLY 94 H GLY 94 13.637 6.824 10.193 273 HA2 GLY 94 2HA GLY 94 15.638 5.661 10.315 274 HA3 GLY 94 1HA GLY 94 16.078 6.573 11.749 275 H SER 95 H SER 95 12.964 5.378 12.207 276 HA SER 95 HA SER 95 13.839 3.383 14.078 277 HB2 SER 95 2HB SER 95 11.006 3.984 13.129 278 HB3 SER 95 1HB SER 95 11.462 3.108 14.597 279 HG SER 95 HG SER 95 12.736 5.443 14.600 280 H LYS 96 H LYS 96 14.752 1.615 13.170 281 HA LYS 96 HA LYS 96 14.034 0.297 10.800 282 HB2 LYS 96 2HB LYS 96 15.444 -1.593 11.651 283 HB3 LYS 96 1HB LYS 96 16.233 -0.028 11.741 284 HG2 LYS 96 2HG LYS 96 15.695 0.069 14.181 285 HG3 LYS 96 1HG LYS 96 15.001 -1.545 14.054 286 HD2 LYS 96 2HD LYS 96 17.178 -1.910 14.907 287 HD3 LYS 96 1HD LYS 96 17.309 -2.317 13.200 288 HE2 LYS 96 2HE LYS 96 18.155 0.343 14.407 289 HE3 LYS 96 1HE LYS 96 19.248 -1.000 14.095 290 HZ1 LYS 96 3HZ LYS 96 17.690 0.463 12.024 291 HZ2 LYS 96 1HZ LYS 96 18.782 -0.793 11.731 292 HZ3 LYS 96 2HZ LYS 96 19.329 0.680 12.352 293 H SER 97 H SER 97 12.803 -0.108 14.075 294 HA SER 97 HA SER 97 11.444 -2.556 13.815 295 HB2 SER 97 2HB SER 97 11.787 -1.390 16.003 296 HB3 SER 97 1HB SER 97 10.625 -0.148 15.531 297 HG SER 97 HG SER 97 10.131 -2.930 15.838 298 H ALA 98 H ALA 98 10.344 0.788 13.325 299 HA ALA 98 HA ALA 98 7.738 0.316 12.397 300 HB1 ALA 98 3HB ALA 98 8.532 2.510 13.162 301 HB2 ALA 98 1HB ALA 98 7.842 2.623 11.543 302 HB3 ALA 98 2HB ALA 98 9.596 2.631 11.762 303 H MET 99 H MET 99 10.847 0.528 10.685 304 HA MET 99 HA MET 99 9.965 0.589 8.026 305 HB2 MET 99 2HB MET 99 12.311 1.048 8.648 306 HB3 MET 99 1HB MET 99 12.536 -0.625 9.137 307 HG2 MET 99 2HG MET 99 12.123 -1.323 6.774 308 HG3 MET 99 1HG MET 99 12.027 0.378 6.318 309 HE1 MET 99 3HE MET 99 14.499 -1.235 8.985 310 HE2 MET 99 1HE MET 99 15.879 -1.620 7.957 311 HE3 MET 99 2HE MET 99 14.357 -2.487 7.749 312 H GLU 100 H GLU 100 10.709 -2.164 10.148 313 HA GLU 100 HA GLU 100 10.400 -4.263 8.295 314 HB2 GLU 100 2HB GLU 100 11.482 -4.564 10.506 315 HB3 GLU 100 1HB GLU 100 9.939 -4.317 11.317 316 HG2 GLU 100 2HG GLU 100 9.063 -6.358 10.173 317 HG3 GLU 100 1HG GLU 100 10.661 -6.614 9.468 318 H ARG 101 H ARG 101 8.084 -2.702 10.486 319 HA ARG 101 HA ARG 101 5.828 -4.327 9.929 320 HB2 ARG 101 2HB ARG 101 6.138 -1.534 11.060 321 HB3 ARG 101 1HB ARG 101 4.533 -2.133 10.665 322 HG2 ARG 101 2HG ARG 101 5.001 -2.420 13.043 323 HG3 ARG 101 1HG ARG 101 4.799 -3.987 12.262 324 HD2 ARG 101 2HD ARG 101 7.199 -4.350 12.272 325 HD3 ARG 101 1HD ARG 101 7.477 -2.718 12.876 326 HE ARG 101 HE ARG 101 5.851 -4.037 14.725 327 HH11 ARG 101 1HH1 ARG 101 9.154 -4.326 13.501 328 HH12 ARG 101 2HH1 ARG 101 9.767 -5.000 14.975 329 HH21 ARG 101 1HH2 ARG 101 6.679 -4.865 16.650 330 HH22 ARG 101 2HH2 ARG 101 8.353 -5.305 16.776 331 H LEU 102 H LEU 102 6.953 -1.270 8.535 332 HA LEU 102 HA LEU 102 4.804 -0.699 6.843 333 HB2 LEU 102 2HB LEU 102 6.539 0.916 7.513 334 HB3 LEU 102 1HB LEU 102 7.748 0.031 6.600 335 HG LEU 102 HG LEU 102 6.620 0.654 4.484 336 HD11 LEU 102 1HD1 LEU 102 4.797 2.301 4.445 337 HD12 LEU 102 2HD1 LEU 102 4.691 2.236 6.207 338 HD13 LEU 102 3HD1 LEU 102 4.309 0.807 5.242 339 HD21 LEU 102 3HD2 LEU 102 7.229 3.036 6.269 340 HD22 LEU 102 1HD2 LEU 102 7.190 3.052 4.502 341 HD23 LEU 102 2HD2 LEU 102 8.403 2.095 5.346 342 H LYS 103 H LYS 103 7.824 -2.458 6.173 343 HA LYS 103 HA LYS 103 7.335 -3.079 3.441 344 HB2 LYS 103 2HB LYS 103 9.113 -4.494 5.481 345 HB3 LYS 103 1HB LYS 103 9.188 -4.730 3.736 346 HG2 LYS 103 2HG LYS 103 9.939 -2.439 3.402 347 HG3 LYS 103 1HG LYS 103 9.714 -2.076 5.115 348 HD2 LYS 103 2HD LYS 103 12.090 -2.430 4.653 349 HD3 LYS 103 1HD LYS 103 11.485 -3.724 5.690 350 HE2 LYS 103 2HE LYS 103 11.323 -5.220 3.743 351 HE3 LYS 103 1HE LYS 103 11.893 -3.927 2.686 352 HZ1 LYS 103 3HZ LYS 103 13.962 -3.891 3.978 353 HZ2 LYS 103 1HZ LYS 103 13.692 -5.382 3.225 354 HZ3 LYS 103 2HZ LYS 103 13.417 -5.216 4.883 355 H ARG 104 H ARG 104 6.797 -4.856 6.436 356 HA ARG 104 HA ARG 104 5.960 -7.333 5.363 357 HB2 ARG 104 2HB ARG 104 6.758 -6.999 7.675 358 HB3 ARG 104 1HB ARG 104 5.339 -6.028 8.046 359 HG2 ARG 104 2HG ARG 104 3.909 -8.030 7.708 360 HG3 ARG 104 1HG ARG 104 5.352 -8.997 7.384 361 HD2 ARG 104 2HD ARG 104 6.196 -8.484 9.653 362 HD3 ARG 104 1HD ARG 104 4.753 -7.513 9.968 363 HE ARG 104 HE ARG 104 3.898 -10.074 9.258 364 HH11 ARG 104 1HH1 ARG 104 5.710 -8.554 11.858 365 HH12 ARG 104 2HH1 ARG 104 5.245 -9.734 13.047 366 HH21 ARG 104 1HH2 ARG 104 3.290 -11.641 10.812 367 HH22 ARG 104 2HH2 ARG 104 3.859 -11.501 12.447 368 H GLY 105 H GLY 105 4.222 -4.389 6.181 369 HA2 GLY 105 2HA GLY 105 1.561 -5.360 5.984 370 HA3 GLY 105 1HA GLY 105 2.063 -3.677 5.846 371 H ILE 106 H ILE 106 3.869 -4.157 3.640 372 HA ILE 106 HA ILE 106 2.084 -4.089 1.401 373 HB ILE 106 HB ILE 106 5.061 -3.797 1.805 374 HG12 ILE 106 2HG1 ILE 106 2.909 -2.055 0.509 375 HG13 ILE 106 1HG1 ILE 106 3.574 -1.848 2.121 376 HG21 ILE 106 1HG2 ILE 106 5.459 -3.548 -0.637 377 HG22 ILE 106 2HG2 ILE 106 3.838 -4.155 -0.952 378 HG23 ILE 106 3HG2 ILE 106 5.028 -5.199 -0.191 379 HD11 ILE 106 3HD1 ILE 106 4.497 -0.208 0.679 380 HD12 ILE 106 1HD1 ILE 106 4.977 -1.428 -0.500 381 HD13 ILE 106 2HD1 ILE 106 5.769 -1.363 1.072 382 H ILE 107 H ILE 107 4.124 -6.610 2.829 383 HA ILE 107 HA ILE 107 3.874 -8.543 0.742 384 HB ILE 107 HB ILE 107 4.164 -9.035 3.750 385 HG12 ILE 107 2HG1 ILE 107 6.334 -8.838 1.602 386 HG13 ILE 107 1HG1 ILE 107 5.988 -7.611 2.814 387 HG21 ILE 107 1HG2 ILE 107 4.749 -10.925 1.432 388 HG22 ILE 107 2HG2 ILE 107 3.415 -11.073 2.575 389 HG23 ILE 107 3HG2 ILE 107 5.076 -11.264 3.136 390 HD11 ILE 107 3HD1 ILE 107 7.942 -8.881 3.416 391 HD12 ILE 107 1HD1 ILE 107 7.029 -10.388 3.341 392 HD13 ILE 107 2HD1 ILE 107 6.649 -9.185 4.576 393 H HIS 108 H HIS 108 1.819 -7.601 3.432 394 HA HIS 108 HA HIS 108 -0.256 -9.570 2.894 395 HB2 HIS 108 2HB HIS 108 0.133 -8.694 5.197 396 HB3 HIS 108 1HB HIS 108 -0.380 -7.095 4.669 397 HD1 HIS 108 HD1 HIS 108 -2.568 -6.764 5.822 398 HD2 HIS 108 HD2 HIS 108 -2.296 -10.544 4.101 399 HE1 HIS 108 HE1 HIS 108 -4.835 -7.803 6.099 400 HE2 HIS 108 HE2 HIS 108 -4.639 -10.093 5.104 401 H ALA 109 H ALA 109 0.281 -6.146 2.139 402 HA ALA 109 HA ALA 109 -2.364 -5.518 1.306 403 HB1 ALA 109 3HB ALA 109 -0.743 -3.797 1.998 404 HB2 ALA 109 1HB ALA 109 -1.397 -3.456 0.394 405 HB3 ALA 109 2HB ALA 109 0.232 -4.122 0.563 406 H ARG 110 H ARG 110 0.558 -6.481 -0.407 407 HA ARG 110 HA ARG 110 -0.433 -6.392 -3.058 408 HB2 ARG 110 2HB ARG 110 1.580 -7.494 -3.701 409 HB3 ARG 110 1HB ARG 110 2.041 -6.583 -2.282 410 HG2 ARG 110 2HG ARG 110 2.131 -8.522 -0.911 411 HG3 ARG 110 1HG ARG 110 1.243 -9.498 -2.076 412 HD2 ARG 110 2HD ARG 110 3.483 -10.220 -2.180 413 HD3 ARG 110 1HD ARG 110 3.221 -9.257 -3.627 414 HE ARG 110 HE ARG 110 4.310 -7.409 -2.321 415 HH11 ARG 110 1HH1 ARG 110 5.108 -10.738 -1.652 416 HH12 ARG 110 2HH1 ARG 110 6.713 -10.372 -1.105 417 HH21 ARG 110 1HH2 ARG 110 6.431 -6.924 -1.769 418 HH22 ARG 110 2HH2 ARG 110 7.473 -8.181 -1.173 419 H ALA 111 H ALA 111 -0.539 -8.792 -0.492 420 HA ALA 111 HA ALA 111 -1.179 -11.068 -2.058 421 HB1 ALA 111 3HB ALA 111 -0.154 -11.233 0.167 422 HB2 ALA 111 1HB ALA 111 -1.661 -12.150 0.099 423 HB3 ALA 111 2HB ALA 111 -1.614 -10.580 0.909 424 H LEU 112 H LEU 112 -3.061 -8.695 -0.263 425 HA LEU 112 HA LEU 112 -5.631 -9.865 -0.513 426 HB2 LEU 112 2HB LEU 112 -4.825 -6.964 -0.076 427 HB3 LEU 112 1HB LEU 112 -6.475 -7.557 0.055 428 HG LEU 112 HG LEU 112 -4.154 -8.428 1.823 429 HD11 LEU 112 1HD1 LEU 112 -6.494 -6.608 2.466 430 HD12 LEU 112 2HD1 LEU 112 -4.800 -6.135 2.318 431 HD13 LEU 112 3HD1 LEU 112 -5.302 -7.199 3.628 432 HD21 LEU 112 3HD2 LEU 112 -7.093 -9.184 2.000 433 HD22 LEU 112 1HD2 LEU 112 -5.843 -9.613 3.173 434 HD23 LEU 112 2HD2 LEU 112 -5.766 -10.253 1.535 435 H VAL 113 H VAL 113 -3.830 -7.601 -2.568 436 HA VAL 113 HA VAL 113 -5.965 -7.174 -4.451 437 HB VAL 113 HB VAL 113 -2.983 -6.822 -5.040 438 HG11 VAL 113 1HG1 VAL 113 -3.756 -5.104 -6.647 439 HG12 VAL 113 2HG1 VAL 113 -5.434 -5.460 -6.233 440 HG13 VAL 113 3HG1 VAL 113 -4.436 -6.689 -7.016 441 HG21 VAL 113 3HG2 VAL 113 -4.823 -4.773 -3.754 442 HG22 VAL 113 1HG2 VAL 113 -3.154 -4.501 -4.264 443 HG23 VAL 113 2HG2 VAL 113 -3.503 -5.627 -2.954 444 H ARG 114 H ARG 114 -3.191 -9.361 -4.222 445 HA ARG 114 HA ARG 114 -3.151 -10.193 -6.934 446 HB2 ARG 114 2HB ARG 114 -1.157 -10.224 -5.430 447 HB3 ARG 114 1HB ARG 114 -1.878 -11.547 -4.520 448 HG2 ARG 114 2HG ARG 114 -1.815 -12.953 -6.566 449 HG3 ARG 114 1HG ARG 114 -1.036 -11.630 -7.435 450 HD2 ARG 114 2HD ARG 114 0.933 -11.783 -6.035 451 HD3 ARG 114 1HD ARG 114 0.131 -12.925 -4.946 452 HE ARG 114 HE ARG 114 0.326 -13.797 -7.702 453 HH11 ARG 114 1HH1 ARG 114 1.954 -13.851 -4.569 454 HH12 ARG 114 2HH1 ARG 114 2.891 -15.258 -4.958 455 HH21 ARG 114 1HH2 ARG 114 1.508 -15.673 -8.161 456 HH22 ARG 114 2HH2 ARG 114 2.640 -16.296 -6.998 457 H GLU 115 H GLU 115 -4.259 -11.803 -3.958 458 HA GLU 115 HA GLU 115 -5.275 -14.149 -5.136 459 HB2 GLU 115 2HB GLU 115 -6.431 -14.550 -3.027 460 HB3 GLU 115 1HB GLU 115 -4.819 -13.924 -2.720 461 HG2 GLU 115 2HG GLU 115 -5.859 -11.648 -2.339 462 HG3 GLU 115 1HG GLU 115 -7.440 -12.416 -2.454 463 H CYS 116 H CYS 116 -6.689 -10.958 -4.858 464 HA CYS 116 HA CYS 116 -9.399 -11.839 -5.477 465 HB2 CYS 116 2HB CYS 116 -8.260 -9.068 -4.994 466 HB3 CYS 116 1HB CYS 116 -9.969 -9.401 -5.295 467 HG CYS 116 HG CYS 116 -8.122 -10.412 -2.593 468 H LEU 117 H LEU 117 -6.660 -10.792 -7.310 469 HA LEU 117 HA LEU 117 -7.671 -9.538 -9.549 470 HB2 LEU 117 2HB LEU 117 -5.543 -11.701 -9.426 471 HB3 LEU 117 1HB LEU 117 -5.837 -10.713 -10.848 472 HG LEU 117 HG LEU 117 -4.900 -9.640 -8.155 473 HD11 LEU 117 1HD1 LEU 117 -3.320 -10.117 -10.701 474 HD12 LEU 117 2HD1 LEU 117 -3.186 -11.037 -9.201 475 HD13 LEU 117 3HD1 LEU 117 -2.712 -9.342 -9.234 476 HD21 LEU 117 3HD2 LEU 117 -4.504 -7.529 -9.331 477 HD22 LEU 117 1HD2 LEU 117 -6.197 -7.992 -9.464 478 HD23 LEU 117 2HD2 LEU 117 -5.116 -8.223 -10.835 479 H ALA 118 H ALA 118 -7.826 -12.992 -8.811 480 HA ALA 118 HA ALA 118 -8.791 -13.961 -11.272 481 HB1 ALA 118 3HB ALA 118 -7.832 -15.429 -9.548 482 HB2 ALA 118 1HB ALA 118 -9.432 -15.988 -10.038 483 HB3 ALA 118 2HB ALA 118 -9.224 -15.137 -8.505 484 H GLU 119 H GLU 119 -10.737 -13.312 -8.264 485 HA GLU 119 HA GLU 119 -13.249 -13.640 -9.483 486 HB2 GLU 119 2HB GLU 119 -14.182 -12.545 -7.472 487 HB3 GLU 119 1HB GLU 119 -12.988 -13.771 -7.075 488 HG2 GLU 119 2HG GLU 119 -11.303 -11.917 -6.773 489 HG3 GLU 119 1HG GLU 119 -12.625 -10.767 -6.970 490 H THR 120 H THR 120 -11.153 -10.836 -9.366 491 HA THR 120 HA THR 120 -13.025 -8.907 -10.359 492 HB THR 120 HB THR 120 -9.973 -8.962 -10.492 493 HG1 THR 120 HG1 THR 120 -10.295 -8.665 -8.418 494 HG21 THR 120 3HG2 THR 120 -10.115 -6.498 -10.785 495 HG22 THR 120 1HG2 THR 120 -11.872 -6.610 -10.915 496 HG23 THR 120 2HG2 THR 120 -10.844 -7.343 -12.148 497 H GLU 121 H GLU 121 -10.859 -11.255 -11.844 498 HA GLU 121 HA GLU 121 -11.250 -10.456 -14.574 499 HB2 GLU 121 2HB GLU 121 -9.245 -11.713 -13.761 500 HB3 GLU 121 1HB GLU 121 -10.256 -13.127 -13.490 501 HG2 GLU 121 2HG GLU 121 -10.794 -13.129 -15.946 502 HG3 GLU 121 1HG GLU 121 -9.656 -11.798 -16.153 503 H ARG 122 H ARG 122 -13.021 -12.467 -12.317 504 HA ARG 122 HA ARG 122 -14.639 -13.920 -14.152 505 HB2 ARG 122 2HB ARG 122 -14.351 -14.292 -11.609 506 HB3 ARG 122 1HB ARG 122 -15.448 -12.946 -11.366 507 HG2 ARG 122 2HG ARG 122 -16.233 -15.441 -12.907 508 HG3 ARG 122 1HG ARG 122 -16.416 -15.301 -11.162 509 HD2 ARG 122 2HD ARG 122 -17.782 -13.575 -13.255 510 HD3 ARG 122 1HD ARG 122 -18.530 -14.838 -12.274 511 HE ARG 122 HE ARG 122 -17.866 -13.395 -10.307 512 HH11 ARG 122 1HH1 ARG 122 -18.657 -11.936 -13.413 513 HH12 ARG 122 2HH1 ARG 122 -19.171 -10.432 -12.700 514 HH21 ARG 122 1HH2 ARG 122 -18.496 -11.404 -9.407 515 HH22 ARG 122 2HH2 ARG 122 -19.077 -10.131 -10.445 516 H ASN 123 H ASN 123 -14.721 -10.665 -12.793 517 HA ASN 123 HA ASN 123 -17.178 -9.824 -14.090 518 HB2 ASN 123 2HB ASN 123 -14.982 -8.204 -12.718 519 HB3 ASN 123 1HB ASN 123 -16.507 -7.536 -13.289 520 HD21 ASN 123 1HD2 ASN 123 -14.991 -9.586 -10.929 521 HD22 ASN 123 2HD2 ASN 123 -16.312 -9.628 -9.829 522 H ALA 124 H ALA 124 -17.046 -7.786 -15.465 523 HA ALA 124 HA ALA 124 -15.213 -8.083 -17.715 524 HB1 ALA 124 3HB ALA 124 -17.619 -7.660 -18.089 525 HB2 ALA 124 1HB ALA 124 -16.639 -6.359 -18.764 526 HB3 ALA 124 2HB ALA 124 -17.493 -6.119 -17.238 527 H ARG 125 H ARG 125 -14.441 -6.990 -14.892 528 HA ARG 125 HA ARG 125 -13.552 -4.279 -15.442 529 HB2 ARG 125 2HB ARG 125 -12.935 -5.994 -12.995 530 HB3 ARG 125 1HB ARG 125 -12.764 -4.246 -13.137 531 HG2 ARG 125 2HG ARG 125 -15.284 -4.149 -13.485 532 HG3 ARG 125 1HG ARG 125 -15.325 -5.853 -13.036 533 HD2 ARG 125 2HD ARG 125 -14.449 -3.514 -11.337 534 HD3 ARG 125 1HD ARG 125 -15.854 -4.544 -11.089 535 HE ARG 125 HE ARG 125 -13.030 -5.370 -10.684 536 HH11 ARG 125 1HH1 ARG 125 -16.423 -5.685 -9.845 537 HH12 ARG 125 2HH1 ARG 125 -16.116 -6.803 -8.560 538 HH21 ARG 125 1HH2 ARG 125 -12.647 -6.787 -8.937 539 HH22 ARG 125 2HH2 ARG 125 -13.993 -7.425 -8.044 540 H THR 126 H THR 126 -12.226 -4.829 -17.260 541 HA THR 126 HA THR 126 -9.610 -6.041 -16.597 542 HB THR 126 HB THR 126 -9.403 -6.343 -19.128 543 HG1 THR 126 HG1 THR 126 -11.002 -5.028 -19.921 544 HG21 THR 126 3HG2 THR 126 -11.659 -7.853 -17.754 545 HG22 THR 126 1HG2 THR 126 -9.940 -8.243 -17.637 546 HG23 THR 126 2HG2 THR 126 -10.777 -8.395 -19.183 547 H1 SER 58 1H SER 58 -0.625 -37.731 -7.062 548 H2 SER 58 2H SER 58 0.686 -37.340 -6.066 549 H3 SER 58 3H SER 58 0.887 -38.430 -7.338 550 HA SER 58 HA SER 58 1.814 -36.245 -7.821 551 HB2 SER 58 2HB SER 58 -0.568 -37.042 -9.552 552 HB3 SER 58 1HB SER 58 0.810 -36.067 -10.077 553 HG SER 58 HG SER 58 1.938 -37.812 -10.319 554 H HIS 59 H HIS 59 1.141 -34.061 -8.795 555 HA HIS 59 HA HIS 59 -1.273 -32.919 -7.509 556 HB2 HIS 59 2HB HIS 59 -0.043 -30.762 -7.251 557 HB3 HIS 59 1HB HIS 59 0.664 -32.054 -6.304 558 HD1 HIS 59 HD1 HIS 59 3.130 -32.385 -6.552 559 HD2 HIS 59 HD2 HIS 59 1.543 -30.106 -9.650 560 HE1 HIS 59 HE1 HIS 59 5.104 -31.522 -7.850 561 HE2 HIS 59 HE2 HIS 59 4.127 -30.108 -9.676 562 H MET 60 H MET 60 -2.418 -31.344 -8.733 563 HA MET 60 HA MET 60 -1.592 -30.636 -11.415 564 HB2 MET 60 2HB MET 60 -2.483 -32.944 -11.753 565 HB3 MET 60 1HB MET 60 -4.020 -32.458 -11.056 566 HG2 MET 60 2HG MET 60 -4.454 -30.973 -12.909 567 HG3 MET 60 1HG MET 60 -2.841 -31.240 -13.567 568 HE1 MET 60 3HE MET 60 -2.025 -33.625 -14.526 569 HE2 MET 60 1HE MET 60 -3.085 -35.027 -14.681 570 HE3 MET 60 2HE MET 60 -2.587 -34.473 -13.085 571 H ALA 61 H ALA 61 -1.778 -28.586 -10.516 572 HA ALA 61 HA ALA 61 -4.240 -27.211 -10.908 573 HB1 ALA 61 3HB ALA 61 -4.800 -28.138 -8.696 574 HB2 ALA 61 1HB ALA 61 -4.589 -26.390 -8.587 575 HB3 ALA 61 2HB ALA 61 -3.315 -27.473 -8.018 576 H MET 62 H MET 62 -1.738 -27.058 -11.972 577 HA MET 62 HA MET 62 0.233 -25.503 -10.771 578 HB2 MET 62 2HB MET 62 -0.359 -25.834 -13.738 579 HB3 MET 62 1HB MET 62 1.135 -25.192 -13.075 580 HG2 MET 62 2HG MET 62 1.603 -27.363 -12.022 581 HG3 MET 62 1HG MET 62 0.100 -28.004 -12.701 582 HE1 MET 62 3HE MET 62 2.829 -29.756 -14.943 583 HE2 MET 62 1HE MET 62 1.385 -30.014 -13.964 584 HE3 MET 62 2HE MET 62 2.876 -29.453 -13.206 585 H LYS 63 H LYS 63 -2.396 -24.527 -12.932 586 HA LYS 63 HA LYS 63 -2.995 -22.605 -13.966 587 HB2 LYS 63 2HB LYS 63 -2.500 -21.534 -11.157 588 HB3 LYS 63 1HB LYS 63 -3.409 -20.680 -12.402 589 HG2 LYS 63 2HG LYS 63 -5.092 -22.504 -12.420 590 HG3 LYS 63 1HG LYS 63 -4.175 -23.348 -11.166 591 HD2 LYS 63 2HD LYS 63 -4.545 -21.450 -9.618 592 HD3 LYS 63 1HD LYS 63 -5.455 -20.601 -10.870 593 HE2 LYS 63 2HE LYS 63 -7.184 -22.332 -10.842 594 HE3 LYS 63 1HE LYS 63 -6.248 -23.291 -9.692 595 HZ1 LYS 63 3HZ LYS 63 -7.447 -20.620 -9.189 596 HZ2 LYS 63 1HZ LYS 63 -6.468 -21.458 -8.094 597 HZ3 LYS 63 2HZ LYS 63 -7.962 -22.095 -8.550 598 HA PRO 64 HA PRO 64 1.503 -21.288 -14.532 599 HB2 PRO 64 2HB PRO 64 1.031 -21.953 -17.405 600 HB3 PRO 64 1HB PRO 64 2.296 -22.543 -16.307 601 HG2 PRO 64 2HG PRO 64 0.312 -24.153 -17.132 602 HG3 PRO 64 1HG PRO 64 1.006 -24.281 -15.498 603 HD2 PRO 64 2HD PRO 64 -1.560 -22.944 -16.357 604 HD3 PRO 64 1HD PRO 64 -1.252 -24.020 -14.970 605 HA PRO 65 HA PRO 65 -0.257 -17.249 -15.689 606 HB2 PRO 65 2HB PRO 65 2.100 -15.790 -15.576 607 HB3 PRO 65 1HB PRO 65 1.166 -16.251 -14.137 608 HG2 PRO 65 2HG PRO 65 3.586 -17.571 -15.316 609 HG3 PRO 65 1HG PRO 65 3.215 -17.213 -13.614 610 HD2 PRO 65 2HD PRO 65 2.885 -19.688 -14.624 611 HD3 PRO 65 1HD PRO 65 1.769 -19.033 -13.403 612 H GLY 66 H GLY 66 -0.852 -17.843 -17.786 613 HA2 GLY 66 2HA GLY 66 0.906 -18.072 -20.021 614 HA3 GLY 66 1HA GLY 66 -0.843 -17.893 -20.080 615 H ALA 67 H ALA 67 -1.224 -15.477 -18.860 616 HA ALA 67 HA ALA 67 0.504 -13.408 -19.937 617 HB1 ALA 67 3HB ALA 67 -0.924 -13.871 -21.892 618 HB2 ALA 67 1HB ALA 67 -1.289 -12.277 -21.224 619 HB3 ALA 67 2HB ALA 67 -2.371 -13.638 -20.911 620 H GLN 68 H GLN 68 0.575 -11.818 -18.462 621 HA GLN 68 HA GLN 68 -1.211 -11.795 -16.178 622 HB2 GLN 68 2HB GLN 68 1.234 -11.419 -15.925 623 HB3 GLN 68 1HB GLN 68 1.119 -9.953 -16.888 624 HG2 GLN 68 2HG GLN 68 -0.312 -8.935 -15.133 625 HG3 GLN 68 1HG GLN 68 -0.176 -10.419 -14.184 626 HE21 GLN 68 1HE2 GLN 68 0.771 -9.285 -12.458 627 HE22 GLN 68 2HE2 GLN 68 2.395 -8.710 -12.507 628 H GLY 69 H GLY 69 -1.098 -10.257 -19.253 629 HA2 GLY 69 2HA GLY 69 -2.205 -7.700 -18.666 630 HA3 GLY 69 1HA GLY 69 -2.143 -8.470 -20.237 631 H SER 70 H SER 70 -3.917 -8.480 -17.213 632 HA SER 70 HA SER 70 -6.509 -8.403 -18.426 633 HB2 SER 70 2HB SER 70 -6.048 -10.866 -18.571 634 HB3 SER 70 1HB SER 70 -5.756 -10.891 -16.830 635 HG SER 70 HG SER 70 -7.880 -11.531 -17.309 636 H GLN 71 H GLN 71 -8.169 -8.163 -16.691 637 HA GLN 71 HA GLN 71 -8.837 -6.542 -15.249 638 HB2 GLN 71 2HB GLN 71 -8.955 -7.282 -12.978 639 HB3 GLN 71 1HB GLN 71 -9.116 -8.667 -14.031 640 HG2 GLN 71 2HG GLN 71 -6.531 -7.979 -12.627 641 HG3 GLN 71 1HG GLN 71 -7.776 -8.970 -11.889 642 HE21 GLN 71 1HE2 GLN 71 -8.333 -10.256 -14.557 643 HE22 GLN 71 2HE2 GLN 71 -7.049 -11.381 -14.760 644 H SER 72 H SER 72 -6.725 -5.469 -16.441 645 HA SER 72 HA SER 72 -4.433 -4.774 -15.029 646 HB2 SER 72 2HB SER 72 -4.635 -4.582 -17.465 647 HB3 SER 72 1HB SER 72 -5.818 -3.287 -17.298 648 HG SER 72 HG SER 72 -4.269 -1.910 -16.776 649 H THR 73 H THR 73 -7.496 -3.041 -15.272 650 HA THR 73 HA THR 73 -6.978 -0.663 -13.975 651 HB THR 73 HB THR 73 -9.131 -1.032 -14.993 652 HG1 THR 73 HG1 THR 73 -9.542 -0.754 -12.180 653 HG21 THR 73 3HG2 THR 73 -9.711 -3.142 -12.876 654 HG22 THR 73 1HG2 THR 73 -9.417 -3.449 -14.589 655 HG23 THR 73 2HG2 THR 73 -10.853 -2.556 -14.086 656 H TYR 74 H TYR 74 -7.779 -3.766 -12.456 657 HA TYR 74 HA TYR 74 -7.467 -2.771 -9.741 658 HB2 TYR 74 2HB TYR 74 -9.226 -4.409 -10.334 659 HB3 TYR 74 1HB TYR 74 -7.990 -5.574 -10.802 660 HD1 TYR 74 HD1 TYR 74 -8.520 -3.348 -7.799 661 HD2 TYR 74 HD2 TYR 74 -7.862 -7.312 -9.238 662 HE1 TYR 74 HE1 TYR 74 -8.512 -4.188 -5.495 663 HE2 TYR 74 HE2 TYR 74 -7.850 -8.148 -6.930 664 HH TYR 74 HH TYR 74 -8.965 -6.392 -4.326 665 H THR 75 H THR 75 -5.599 -4.558 -12.094 666 HA THR 75 HA THR 75 -3.568 -5.608 -10.379 667 HB THR 75 HB THR 75 -3.415 -5.038 -13.379 668 HG1 THR 75 HG1 THR 75 -5.116 -6.592 -12.268 669 HG21 THR 75 3HG2 THR 75 -1.191 -5.555 -12.435 670 HG22 THR 75 1HG2 THR 75 -1.762 -6.883 -13.445 671 HG23 THR 75 2HG2 THR 75 -1.833 -7.021 -11.688 672 H ASP 76 H ASP 76 -4.186 -2.499 -11.795 673 HA ASP 76 HA ASP 76 -1.691 -1.242 -11.754 674 HB2 ASP 76 2HB ASP 76 -3.849 -0.265 -12.654 675 HB3 ASP 76 1HB ASP 76 -4.372 0.031 -10.996 676 H LEU 77 H LEU 77 -4.121 -1.675 -9.249 677 HA LEU 77 HA LEU 77 -2.921 -0.304 -7.128 678 HB2 LEU 77 2HB LEU 77 -5.267 -0.979 -7.112 679 HB3 LEU 77 1HB LEU 77 -4.818 -2.677 -7.120 680 HG LEU 77 HG LEU 77 -3.880 -2.449 -4.837 681 HD11 LEU 77 1HD1 LEU 77 -4.851 0.427 -4.927 682 HD12 LEU 77 2HD1 LEU 77 -3.170 -0.110 -4.859 683 HD13 LEU 77 3HD1 LEU 77 -4.242 -0.413 -3.496 684 HD21 LEU 77 3HD2 LEU 77 -6.743 -1.470 -5.093 685 HD22 LEU 77 1HD2 LEU 77 -6.024 -2.178 -3.642 686 HD23 LEU 77 2HD2 LEU 77 -6.203 -3.152 -5.098 687 H LEU 78 H LEU 78 -2.645 -3.735 -8.113 688 HA LEU 78 HA LEU 78 -0.979 -4.675 -6.038 689 HB2 LEU 78 2HB LEU 78 -2.146 -6.149 -7.666 690 HB3 LEU 78 1HB LEU 78 -1.098 -5.570 -8.947 691 HG LEU 78 HG LEU 78 0.862 -6.601 -7.792 692 HD11 LEU 78 1HD1 LEU 78 0.517 -8.194 -5.938 693 HD12 LEU 78 2HD1 LEU 78 -1.179 -7.710 -5.841 694 HD13 LEU 78 3HD1 LEU 78 0.098 -6.544 -5.486 695 HD21 LEU 78 3HD2 LEU 78 -1.393 -8.552 -8.373 696 HD22 LEU 78 1HD2 LEU 78 0.331 -8.939 -8.332 697 HD23 LEU 78 2HD2 LEU 78 -0.296 -7.843 -9.561 698 H SER 79 H SER 79 -0.236 -3.044 -9.097 699 HA SER 79 HA SER 79 2.591 -3.212 -8.966 700 HB2 SER 79 2HB SER 79 0.901 -1.096 -10.376 701 HB3 SER 79 1HB SER 79 2.595 -1.473 -10.705 702 HG SER 79 HG SER 79 0.284 -2.876 -11.379 703 H VAL 80 H VAL 80 0.260 -0.722 -7.885 704 HA VAL 80 HA VAL 80 2.022 1.291 -7.078 705 HB VAL 80 HB VAL 80 -0.668 0.586 -5.795 706 HG11 VAL 80 1HG1 VAL 80 0.902 3.193 -5.642 707 HG12 VAL 80 2HG1 VAL 80 0.631 2.060 -4.318 708 HG13 VAL 80 3HG1 VAL 80 -0.728 2.938 -5.010 709 HG21 VAL 80 3HG2 VAL 80 -0.900 1.038 -8.193 710 HG22 VAL 80 1HG2 VAL 80 -0.057 2.576 -8.010 711 HG23 VAL 80 2HG2 VAL 80 -1.628 2.327 -7.244 712 H ILE 81 H ILE 81 0.631 -1.390 -5.208 713 HA ILE 81 HA ILE 81 1.695 -0.950 -2.699 714 HB ILE 81 HB ILE 81 1.192 -3.633 -4.061 715 HG12 ILE 81 2HG1 ILE 81 -0.830 -2.270 -4.065 716 HG13 ILE 81 1HG1 ILE 81 -1.022 -3.566 -2.902 717 HG21 ILE 81 1HG2 ILE 81 2.532 -4.041 -2.111 718 HG22 ILE 81 2HG2 ILE 81 0.880 -4.522 -1.739 719 HG23 ILE 81 3HG2 ILE 81 1.514 -2.999 -1.115 720 HD11 ILE 81 3HD1 ILE 81 -0.582 -1.961 -1.082 721 HD12 ILE 81 1HD1 ILE 81 -1.967 -1.507 -2.070 722 HD13 ILE 81 2HD1 ILE 81 -0.432 -0.669 -2.276 723 H GLU 82 H GLU 82 3.152 -2.640 -5.420 724 HA GLU 82 HA GLU 82 5.513 -3.448 -3.988 725 HB2 GLU 82 2HB GLU 82 4.691 -3.622 -6.905 726 HB3 GLU 82 1HB GLU 82 6.217 -4.267 -6.297 727 HG2 GLU 82 2HG GLU 82 3.445 -5.113 -5.382 728 HG3 GLU 82 1HG GLU 82 4.503 -6.021 -6.465 729 H GLU 83 H GLU 83 4.766 -0.811 -6.277 730 HA GLU 83 HA GLU 83 7.479 0.009 -6.659 731 HB2 GLU 83 2HB GLU 83 4.931 1.635 -7.030 732 HB3 GLU 83 1HB GLU 83 6.529 2.119 -7.585 733 HG2 GLU 83 2HG GLU 83 4.933 -0.265 -8.556 734 HG3 GLU 83 1HG GLU 83 5.206 1.236 -9.428 735 H MET 84 H MET 84 4.996 0.774 -4.296 736 HA MET 84 HA MET 84 6.413 2.756 -2.839 737 HB2 MET 84 2HB MET 84 4.251 0.775 -1.997 738 HB3 MET 84 1HB MET 84 4.886 2.020 -0.928 739 HG2 MET 84 2HG MET 84 4.156 3.740 -2.603 740 HG3 MET 84 1HG MET 84 3.370 2.448 -3.509 741 HE1 MET 84 3HE MET 84 1.335 0.917 -2.372 742 HE2 MET 84 1HE MET 84 0.709 1.257 -0.758 743 HE3 MET 84 2HE MET 84 2.344 0.629 -0.954 744 H GLY 85 H GLY 85 6.211 -0.789 -2.607 745 HA2 GLY 85 2HA GLY 85 7.841 -1.300 -0.393 746 HA3 GLY 85 1HA GLY 85 7.577 -2.396 -1.736 747 H LYS 86 H LYS 86 8.813 -0.215 -3.537 748 HA LYS 86 HA LYS 86 11.585 -1.053 -3.318 749 HB2 LYS 86 2HB LYS 86 10.502 1.102 -5.182 750 HB3 LYS 86 1HB LYS 86 11.951 0.126 -5.390 751 HG2 LYS 86 2HG LYS 86 9.096 -0.876 -5.532 752 HG3 LYS 86 1HG LYS 86 10.147 -0.573 -6.911 753 HD2 LYS 86 2HD LYS 86 11.597 -2.415 -6.304 754 HD3 LYS 86 1HD LYS 86 10.785 -2.615 -4.748 755 HE2 LYS 86 2HE LYS 86 10.114 -4.343 -6.405 756 HE3 LYS 86 1HE LYS 86 8.752 -3.379 -5.842 757 HZ1 LYS 86 3HZ LYS 86 8.723 -3.788 -8.242 758 HZ2 LYS 86 1HZ LYS 86 10.179 -2.949 -8.412 759 HZ3 LYS 86 2HZ LYS 86 8.788 -2.138 -7.886 760 H GLU 87 H GLU 87 9.787 2.035 -3.044 761 HA GLU 87 HA GLU 87 12.196 3.481 -2.290 762 HB2 GLU 87 2HB GLU 87 9.376 4.419 -2.894 763 HB3 GLU 87 1HB GLU 87 10.668 5.505 -2.384 764 HG2 GLU 87 2HG GLU 87 12.009 4.801 -4.366 765 HG3 GLU 87 1HG GLU 87 10.661 3.788 -4.884 766 H ILE 88 H ILE 88 10.336 1.610 -0.392 767 HA ILE 88 HA ILE 88 10.126 3.180 1.964 768 HB ILE 88 HB ILE 88 10.643 0.186 1.669 769 HG12 ILE 88 2HG1 ILE 88 8.056 1.709 2.256 770 HG13 ILE 88 1HG1 ILE 88 8.469 0.930 0.733 771 HG21 ILE 88 1HG2 ILE 88 9.948 -0.061 4.039 772 HG22 ILE 88 2HG2 ILE 88 9.878 1.694 4.202 773 HG23 ILE 88 3HG2 ILE 88 11.421 0.898 3.890 774 HD11 ILE 88 3HD1 ILE 88 6.897 -0.378 2.034 775 HD12 ILE 88 1HD1 ILE 88 8.047 -0.478 3.362 776 HD13 ILE 88 2HD1 ILE 88 8.413 -1.247 1.814 777 H ARG 89 H ARG 89 12.820 1.468 0.452 778 HA ARG 89 HA ARG 89 14.640 1.580 2.596 779 HB2 ARG 89 2HB ARG 89 14.956 0.030 0.742 780 HB3 ARG 89 1HB ARG 89 15.219 1.354 -0.382 781 HG2 ARG 89 2HG ARG 89 17.284 1.964 0.889 782 HG3 ARG 89 1HG ARG 89 17.021 0.569 1.935 783 HD2 ARG 89 2HD ARG 89 17.238 -0.933 -0.026 784 HD3 ARG 89 1HD ARG 89 17.513 0.472 -1.064 785 HE ARG 89 HE ARG 89 19.388 0.458 1.065 786 HH11 ARG 89 1HH1 ARG 89 18.713 -1.273 -1.934 787 HH12 ARG 89 2HH1 ARG 89 20.366 -1.737 -2.179 788 HH21 ARG 89 1HH2 ARG 89 21.549 -0.199 0.750 789 HH22 ARG 89 2HH2 ARG 89 21.980 -1.128 -0.654 790 HA PRO 90 HA PRO 90 16.477 5.743 0.824 791 HB2 PRO 90 2HB PRO 90 14.834 7.218 -0.879 792 HB3 PRO 90 1HB PRO 90 16.182 6.192 -1.406 793 HG2 PRO 90 2HG PRO 90 13.255 5.561 -1.340 794 HG3 PRO 90 1HG PRO 90 14.466 5.173 -2.584 795 HD2 PRO 90 2HD PRO 90 13.632 3.321 -0.821 796 HD3 PRO 90 1HD PRO 90 15.318 3.372 -1.386 797 H THR 91 H THR 91 12.884 5.594 1.207 798 HA THR 91 HA THR 91 12.457 7.946 2.645 799 HB THR 91 HB THR 91 11.117 5.223 2.963 800 HG1 THR 91 HG1 THR 91 10.042 5.861 1.267 801 HG21 THR 91 3HG2 THR 91 10.688 6.523 5.029 802 HG22 THR 91 1HG2 THR 91 9.223 6.409 4.051 803 HG23 THR 91 2HG2 THR 91 10.161 7.903 4.063 804 H TYR 92 H TYR 92 13.237 4.731 3.918 805 HA TYR 92 HA TYR 92 13.541 5.316 6.619 806 HB2 TYR 92 2HB TYR 92 13.378 3.013 5.733 807 HB3 TYR 92 1HB TYR 92 14.941 3.183 4.937 808 HD1 TYR 92 HD2 TYR 92 13.396 3.435 8.361 809 HD2 TYR 92 HD1 TYR 92 16.853 2.366 6.093 810 HE1 TYR 92 HE2 TYR 92 14.503 2.671 10.393 811 HE2 TYR 92 HE1 TYR 92 17.957 1.594 8.148 812 HH TYR 92 HH TYR 92 17.777 2.066 10.596 813 H ALA 93 H ALA 93 15.764 5.606 3.918 814 HA ALA 93 HA ALA 93 18.138 6.103 5.489 815 HB1 ALA 93 3HB ALA 93 17.681 6.398 2.506 816 HB2 ALA 93 1HB ALA 93 18.240 4.938 3.323 817 HB3 ALA 93 2HB ALA 93 19.248 6.386 3.320 818 H GLY 94 H GLY 94 15.552 8.071 5.079 819 HA2 GLY 94 2HA GLY 94 15.442 10.246 5.940 820 HA3 GLY 94 1HA GLY 94 17.149 10.463 5.615 821 H SER 95 H SER 95 15.806 9.253 2.795 822 HA SER 95 HA SER 95 15.945 11.766 1.428 823 HB2 SER 95 2HB SER 95 14.871 9.106 0.384 824 HB3 SER 95 1HB SER 95 15.444 10.470 -0.594 825 HG SER 95 HG SER 95 17.234 9.531 1.300 826 H LYS 96 H LYS 96 14.397 13.257 1.892 827 HA LYS 96 HA LYS 96 11.748 12.895 2.662 828 HB2 LYS 96 2HB LYS 96 11.440 15.330 2.161 829 HB3 LYS 96 1HB LYS 96 12.899 14.985 3.081 830 HG2 LYS 96 2HG LYS 96 14.262 15.214 1.043 831 HG3 LYS 96 1HG LYS 96 12.804 15.517 0.099 832 HD2 LYS 96 2HD LYS 96 13.947 17.630 0.583 833 HD3 LYS 96 1HD LYS 96 12.379 17.581 1.385 834 HE2 LYS 96 2HE LYS 96 13.480 17.021 3.518 835 HE3 LYS 96 1HE LYS 96 15.055 17.048 2.725 836 HZ1 LYS 96 3HZ LYS 96 14.574 19.100 3.921 837 HZ2 LYS 96 1HZ LYS 96 13.218 19.373 2.952 838 HZ3 LYS 96 2HZ LYS 96 14.763 19.385 2.271 839 H SER 97 H SER 97 12.977 13.356 -0.618 840 HA SER 97 HA SER 97 10.495 13.719 -1.933 841 HB2 SER 97 2HB SER 97 12.637 14.323 -2.980 842 HB3 SER 97 1HB SER 97 13.107 12.628 -3.064 843 HG SER 97 HG SER 97 12.275 13.061 -5.033 844 H ALA 98 H ALA 98 12.413 10.803 -1.262 845 HA ALA 98 HA ALA 98 10.720 8.910 -2.531 846 HB1 ALA 98 3HB ALA 98 13.051 8.431 -1.962 847 HB2 ALA 98 1HB ALA 98 11.972 7.237 -1.240 848 HB3 ALA 98 2HB ALA 98 12.671 8.519 -0.242 849 H MET 99 H MET 99 10.865 10.187 0.800 850 HA MET 99 HA MET 99 8.931 8.587 2.050 851 HB2 MET 99 2HB MET 99 10.346 10.073 3.355 852 HB3 MET 99 1HB MET 99 9.712 11.490 2.536 853 HG2 MET 99 2HG MET 99 7.454 10.938 3.567 854 HG3 MET 99 1HG MET 99 8.284 9.727 4.546 855 HE1 MET 99 3HE MET 99 8.054 13.579 3.650 856 HE2 MET 99 1HE MET 99 9.775 13.237 3.443 857 HE3 MET 99 2HE MET 99 9.231 14.259 4.772 858 H GLU 100 H GLU 100 8.588 11.726 0.439 859 HA GLU 100 HA GLU 100 5.800 12.029 0.797 860 HB2 GLU 100 2HB GLU 100 7.312 13.921 0.388 861 HB3 GLU 100 1HB GLU 100 7.693 13.315 -1.222 862 HG2 GLU 100 2HG GLU 100 5.401 13.708 -1.946 863 HG3 GLU 100 1HG GLU 100 4.938 14.203 -0.316 864 H ARG 101 H ARG 101 7.765 10.588 -1.764 865 HA ARG 101 HA ARG 101 5.692 10.058 -3.640 866 HB2 ARG 101 2HB ARG 101 8.042 10.015 -4.296 867 HB3 ARG 101 1HB ARG 101 8.391 8.730 -3.148 868 HG2 ARG 101 2HG ARG 101 8.321 7.843 -5.411 869 HG3 ARG 101 1HG ARG 101 7.001 7.171 -4.455 870 HD2 ARG 101 2HD ARG 101 5.437 8.768 -5.513 871 HD3 ARG 101 1HD ARG 101 6.767 9.417 -6.482 872 HE ARG 101 HE ARG 101 6.790 6.736 -7.010 873 HH11 ARG 101 1HH1 ARG 101 4.304 9.221 -7.303 874 HH12 ARG 101 2HH1 ARG 101 3.528 8.434 -8.637 875 HH21 ARG 101 1HH2 ARG 101 5.775 5.747 -8.766 876 HH22 ARG 101 2HH2 ARG 101 4.360 6.463 -9.469 877 H LEU 102 H LEU 102 7.072 8.231 -0.951 878 HA LEU 102 HA LEU 102 5.774 5.753 -1.349 879 HB2 LEU 102 2HB LEU 102 7.820 6.088 0.012 880 HB3 LEU 102 1HB LEU 102 6.908 7.031 1.178 881 HG LEU 102 HG LEU 102 5.633 5.013 1.828 882 HD11 LEU 102 1HD1 LEU 102 6.281 2.790 1.027 883 HD12 LEU 102 2HD1 LEU 102 7.377 3.528 -0.146 884 HD13 LEU 102 3HD1 LEU 102 5.637 3.795 -0.267 885 HD21 LEU 102 3HD2 LEU 102 7.686 5.548 3.049 886 HD22 LEU 102 1HD2 LEU 102 8.640 4.593 1.909 887 HD23 LEU 102 2HD2 LEU 102 7.455 3.806 2.958 888 H LYS 103 H LYS 103 4.986 8.574 0.650 889 HA LYS 103 HA LYS 103 2.547 7.623 1.752 890 HB2 LYS 103 2HB LYS 103 3.476 10.502 1.326 891 HB3 LYS 103 1HB LYS 103 2.124 10.004 2.344 892 HG2 LYS 103 2HG LYS 103 3.646 8.804 3.839 893 HG3 LYS 103 1HG LYS 103 5.010 9.194 2.791 894 HD2 LYS 103 2HD LYS 103 5.011 10.687 4.716 895 HD3 LYS 103 1HD LYS 103 4.661 11.611 3.253 896 HE2 LYS 103 2HE LYS 103 2.260 11.604 3.814 897 HE3 LYS 103 1HE LYS 103 2.592 10.644 5.258 898 HZ1 LYS 103 3HZ LYS 103 2.353 12.971 5.795 899 HZ2 LYS 103 1HZ LYS 103 3.597 13.388 4.730 900 HZ3 LYS 103 2HZ LYS 103 3.932 12.467 6.106 901 H ARG 104 H ARG 104 3.311 9.607 -1.088 902 HA ARG 104 HA ARG 104 0.624 10.164 -1.848 903 HB2 ARG 104 2HB ARG 104 2.623 11.501 -2.546 904 HB3 ARG 104 1HB ARG 104 3.129 10.175 -3.588 905 HG2 ARG 104 2HG ARG 104 1.068 10.441 -4.918 906 HG3 ARG 104 1HG ARG 104 0.555 11.767 -3.874 907 HD2 ARG 104 2HD ARG 104 2.484 13.108 -4.596 908 HD3 ARG 104 1HD ARG 104 3.075 11.759 -5.576 909 HE ARG 104 HE ARG 104 0.572 12.148 -6.523 910 HH11 ARG 104 1HH1 ARG 104 3.270 14.377 -6.108 911 HH12 ARG 104 2HH1 ARG 104 2.780 15.383 -7.433 912 HH21 ARG 104 1HH2 ARG 104 -0.050 13.460 -8.233 913 HH22 ARG 104 2HH2 ARG 104 0.885 14.861 -8.645 914 H GLY 105 H GLY 105 2.761 7.481 -2.398 915 HA2 GLY 105 2HA GLY 105 1.299 6.178 -4.475 916 HA3 GLY 105 1HA GLY 105 2.453 5.425 -3.373 917 H ILE 106 H ILE 106 1.257 6.065 -0.938 918 HA ILE 106 HA ILE 106 -0.850 4.134 -0.723 919 HB ILE 106 HB ILE 106 0.825 5.763 1.142 920 HG12 ILE 106 2HG1 ILE 106 -0.225 2.899 1.275 921 HG13 ILE 106 1HG1 ILE 106 1.291 3.383 0.536 922 HG21 ILE 106 1HG2 ILE 106 -1.879 4.785 2.120 923 HG22 ILE 106 2HG2 ILE 106 -1.352 6.466 2.006 924 HG23 ILE 106 3HG2 ILE 106 -0.564 5.371 3.138 925 HD11 ILE 106 3HD1 ILE 106 1.696 2.410 2.663 926 HD12 ILE 106 1HD1 ILE 106 0.579 3.524 3.449 927 HD13 ILE 106 2HD1 ILE 106 2.078 4.125 2.742 928 H ILE 107 H ILE 107 -0.799 7.627 -1.012 929 HA ILE 107 HA ILE 107 -3.558 8.124 -0.436 930 HB ILE 107 HB ILE 107 -1.545 9.649 -2.164 931 HG12 ILE 107 2HG1 ILE 107 -2.620 10.249 0.640 932 HG13 ILE 107 1HG1 ILE 107 -1.041 9.556 0.291 933 HG21 ILE 107 1HG2 ILE 107 -3.124 11.574 -2.129 934 HG22 ILE 107 2HG2 ILE 107 -4.332 10.555 -1.340 935 HG23 ILE 107 3HG2 ILE 107 -3.798 10.181 -2.978 936 HD11 ILE 107 3HD1 ILE 107 -1.985 12.310 -0.474 937 HD12 ILE 107 1HD1 ILE 107 -0.410 11.617 -0.873 938 HD13 ILE 107 2HD1 ILE 107 -0.852 11.896 0.811 939 H HIS 108 H HIS 108 -1.748 7.507 -3.410 940 HA HIS 108 HA HIS 108 -3.901 7.349 -5.235 941 HB2 HIS 108 2HB HIS 108 -1.497 7.596 -5.906 942 HB3 HIS 108 1HB HIS 108 -1.195 5.939 -5.396 943 HD1 HIS 108 HD1 HIS 108 -0.730 4.781 -7.557 944 HD2 HIS 108 HD2 HIS 108 -4.125 7.173 -7.788 945 HE1 HIS 108 HE1 HIS 108 -1.723 4.329 -9.820 946 HE2 HIS 108 HE2 HIS 108 -3.874 5.635 -9.852 947 H ALA 109 H ALA 109 -2.360 4.924 -3.161 948 HA ALA 109 HA ALA 109 -3.613 2.605 -4.240 949 HB1 ALA 109 3HB ALA 109 -2.800 1.448 -2.224 950 HB2 ALA 109 1HB ALA 109 -2.419 2.998 -1.466 951 HB3 ALA 109 2HB ALA 109 -1.541 2.479 -2.906 952 H ARG 110 H ARG 110 -4.335 4.740 -1.501 953 HA ARG 110 HA ARG 110 -6.562 3.376 -0.405 954 HB2 ARG 110 2HB ARG 110 -5.514 5.097 0.929 955 HB3 ARG 110 1HB ARG 110 -5.728 6.310 -0.326 956 HG2 ARG 110 2HG ARG 110 -8.204 6.185 0.031 957 HG3 ARG 110 1HG ARG 110 -7.933 5.063 1.365 958 HD2 ARG 110 2HD ARG 110 -8.306 7.365 2.155 959 HD3 ARG 110 1HD ARG 110 -6.700 6.784 2.584 960 HE ARG 110 HE ARG 110 -7.217 8.601 0.308 961 HH11 ARG 110 1HH1 ARG 110 -5.289 7.708 3.109 962 HH12 ARG 110 2HH1 ARG 110 -4.156 9.008 2.877 963 HH21 ARG 110 1HH2 ARG 110 -5.758 10.294 0.015 964 HH22 ARG 110 2HH2 ARG 110 -4.418 10.483 1.117 965 H ALA 111 H ALA 111 -6.258 5.830 -2.944 966 HA ALA 111 HA ALA 111 -9.014 6.400 -3.311 967 HB1 ALA 111 3HB ALA 111 -7.238 7.894 -4.116 968 HB2 ALA 111 1HB ALA 111 -8.306 7.426 -5.441 969 HB3 ALA 111 2HB ALA 111 -6.715 6.675 -5.278 970 H LEU 112 H LEU 112 -6.781 4.111 -4.803 971 HA LEU 112 HA LEU 112 -8.517 3.044 -6.790 972 HB2 LEU 112 2HB LEU 112 -6.014 1.878 -5.516 973 HB3 LEU 112 1HB LEU 112 -6.837 1.157 -6.893 974 HG LEU 112 HG LEU 112 -5.562 3.920 -6.877 975 HD11 LEU 112 1HD1 LEU 112 -4.559 1.354 -8.145 976 HD12 LEU 112 2HD1 LEU 112 -3.863 2.176 -6.747 977 HD13 LEU 112 3HD1 LEU 112 -3.827 2.953 -8.327 978 HD21 LEU 112 3HD2 LEU 112 -6.813 2.386 -9.185 979 HD22 LEU 112 1HD2 LEU 112 -5.945 3.920 -9.318 980 HD23 LEU 112 2HD2 LEU 112 -7.461 3.841 -8.425 981 H VAL 113 H VAL 113 -7.767 2.042 -3.457 982 HA VAL 113 HA VAL 113 -9.339 -0.338 -3.485 983 HB VAL 113 HB VAL 113 -8.489 1.334 -1.067 984 HG11 VAL 113 1HG1 VAL 113 -9.489 -1.542 -1.177 985 HG12 VAL 113 2HG1 VAL 113 -10.339 -0.164 -0.476 986 HG13 VAL 113 3HG1 VAL 113 -8.844 -0.738 0.257 987 HG21 VAL 113 3HG2 VAL 113 -7.133 -1.113 -2.268 988 HG22 VAL 113 1HG2 VAL 113 -6.626 -0.250 -0.814 989 HG23 VAL 113 2HG2 VAL 113 -6.549 0.545 -2.382 990 H ARG 114 H ARG 114 -9.973 3.005 -2.555 991 HA ARG 114 HA ARG 114 -12.436 2.645 -1.213 992 HB2 ARG 114 2HB ARG 114 -10.998 4.622 -0.914 993 HB3 ARG 114 1HB ARG 114 -11.255 5.092 -2.590 994 HG2 ARG 114 2HG ARG 114 -13.657 5.461 -2.096 995 HG3 ARG 114 1HG ARG 114 -13.362 5.036 -0.409 996 HD2 ARG 114 2HD ARG 114 -11.885 6.961 -0.139 997 HD3 ARG 114 1HD ARG 114 -12.022 7.349 -1.859 998 HE ARG 114 HE ARG 114 -14.555 7.299 -0.474 999 HH11 ARG 114 1HH1 ARG 114 -11.791 9.359 -1.257 1000 HH12 ARG 114 2HH1 ARG 114 -12.682 10.834 -1.047 1001 HH21 ARG 114 1HH2 ARG 114 -15.701 9.226 -0.178 1002 HH22 ARG 114 2HH2 ARG 114 -14.922 10.760 -0.427 1003 H GLU 115 H GLU 115 -11.707 3.716 -4.535 1004 HA GLU 115 HA GLU 115 -14.421 3.859 -5.426 1005 HB2 GLU 115 2HB GLU 115 -13.488 4.148 -7.674 1006 HB3 GLU 115 1HB GLU 115 -12.589 5.117 -6.513 1007 HG2 GLU 115 2HG GLU 115 -10.831 3.308 -6.461 1008 HG3 GLU 115 1HG GLU 115 -11.709 2.499 -7.755 1009 H CYS 116 H CYS 116 -12.046 1.272 -5.280 1010 HA CYS 116 HA CYS 116 -13.534 -0.576 -6.922 1011 HB2 CYS 116 2HB CYS 116 -11.105 -0.776 -6.744 1012 HB3 CYS 116 1HB CYS 116 -11.227 -1.080 -5.015 1013 HG CYS 116 HG CYS 116 -12.882 -3.180 -7.096 1014 H LEU 117 H LEU 117 -13.634 0.360 -3.557 1015 HA LEU 117 HA LEU 117 -14.995 -1.883 -2.487 1016 HB2 LEU 117 2HB LEU 117 -15.032 1.052 -1.708 1017 HB3 LEU 117 1HB LEU 117 -15.911 -0.166 -0.799 1018 HG LEU 117 HG LEU 117 -12.887 -0.149 -1.180 1019 HD11 LEU 117 1HD1 LEU 117 -14.486 0.641 1.277 1020 HD12 LEU 117 2HD1 LEU 117 -13.602 1.741 0.218 1021 HD13 LEU 117 3HD1 LEU 117 -12.723 0.544 1.165 1022 HD21 LEU 117 3HD2 LEU 117 -12.841 -1.917 0.497 1023 HD22 LEU 117 1HD2 LEU 117 -13.833 -2.401 -0.876 1024 HD23 LEU 117 2HD2 LEU 117 -14.602 -1.878 0.622 1025 H ALA 118 H ALA 118 -16.074 0.805 -4.443 1026 HA ALA 118 HA ALA 118 -18.861 0.558 -4.174 1027 HB1 ALA 118 3HB ALA 118 -17.270 1.482 -6.592 1028 HB2 ALA 118 1HB ALA 118 -17.776 2.490 -5.234 1029 HB3 ALA 118 2HB ALA 118 -18.987 1.790 -6.308 1030 H GLU 119 H GLU 119 -16.813 -0.732 -6.846 1031 HA GLU 119 HA GLU 119 -18.805 -2.370 -7.993 1032 HB2 GLU 119 2HB GLU 119 -16.849 -3.318 -9.289 1033 HB3 GLU 119 1HB GLU 119 -16.992 -1.565 -9.340 1034 HG2 GLU 119 2HG GLU 119 -15.266 -1.506 -7.447 1035 HG3 GLU 119 1HG GLU 119 -15.007 -3.220 -7.773 1036 H THR 120 H THR 120 -16.487 -2.984 -5.434 1037 HA THR 120 HA THR 120 -16.852 -5.878 -5.494 1038 HB THR 120 HB THR 120 -15.394 -4.206 -3.392 1039 HG1 THR 120 HG1 THR 120 -13.849 -4.120 -4.829 1040 HG21 THR 120 3HG2 THR 120 -14.197 -6.329 -2.870 1041 HG22 THR 120 1HG2 THR 120 -15.240 -7.195 -3.998 1042 HG23 THR 120 2HG2 THR 120 -15.923 -6.471 -2.539 1043 H GLU 121 H GLU 121 -18.358 -3.123 -3.957 1044 HA GLU 121 HA GLU 121 -19.815 -4.449 -1.917 1045 HB2 GLU 121 2HB GLU 121 -19.750 -1.984 -2.048 1046 HB3 GLU 121 1HB GLU 121 -20.624 -2.005 -3.575 1047 HG2 GLU 121 2HG GLU 121 -22.606 -2.908 -2.438 1048 HG3 GLU 121 1HG GLU 121 -21.726 -2.954 -0.912 1049 H ARG 122 H ARG 122 -20.460 -3.917 -5.378 1050 HA ARG 122 HA ARG 122 -22.945 -5.344 -5.426 1051 HB2 ARG 122 2HB ARG 122 -21.044 -4.509 -7.647 1052 HB3 ARG 122 1HB ARG 122 -22.557 -5.359 -7.942 1053 HG2 ARG 122 2HG ARG 122 -22.251 -2.606 -6.715 1054 HG3 ARG 122 1HG ARG 122 -22.858 -2.993 -8.327 1055 HD2 ARG 122 2HD ARG 122 -24.173 -3.595 -5.663 1056 HD3 ARG 122 1HD ARG 122 -24.757 -2.517 -6.931 1057 HE ARG 122 HE ARG 122 -24.671 -4.919 -8.189 1058 HH11 ARG 122 1HH1 ARG 122 -26.189 -3.863 -5.202 1059 HH12 ARG 122 2HH1 ARG 122 -27.467 -5.031 -5.298 1060 HH21 ARG 122 1HH2 ARG 122 -26.339 -6.496 -8.263 1061 HH22 ARG 122 2HH2 ARG 122 -27.559 -6.516 -7.021 1062 H ASN 123 H ASN 123 -19.551 -6.233 -5.923 1063 HA ASN 123 HA ASN 123 -20.068 -8.998 -6.553 1064 HB2 ASN 123 2HB ASN 123 -17.575 -7.535 -5.610 1065 HB3 ASN 123 1HB ASN 123 -17.604 -9.284 -5.790 1066 HD21 ASN 123 1HD2 ASN 123 -19.185 -6.921 -7.957 1067 HD22 ASN 123 2HD2 ASN 123 -18.202 -7.302 -9.324 1068 H ALA 124 H ALA 124 -21.703 -9.321 -4.916 1069 HA ALA 124 HA ALA 124 -21.025 -9.415 -2.122 1070 HB1 ALA 124 3HB ALA 124 -23.390 -10.589 -3.636 1071 HB2 ALA 124 1HB ALA 124 -23.338 -9.009 -2.852 1072 HB3 ALA 124 2HB ALA 124 -23.251 -10.479 -1.880 1073 H ARG 125 H ARG 125 -19.194 -10.676 -1.972 1074 HA ARG 125 HA ARG 125 -19.460 -13.542 -1.954 1075 HB2 ARG 125 2HB ARG 125 -17.527 -13.930 -3.545 1076 HB3 ARG 125 1HB ARG 125 -18.999 -13.358 -4.320 1077 HG2 ARG 125 2HG ARG 125 -18.096 -11.139 -4.604 1078 HG3 ARG 125 1HG ARG 125 -16.698 -11.511 -3.596 1079 HD2 ARG 125 2HD ARG 125 -17.303 -12.841 -6.251 1080 HD3 ARG 125 1HD ARG 125 -16.195 -11.486 -6.034 1081 HE ARG 125 HE ARG 125 -14.820 -12.908 -4.634 1082 HH11 ARG 125 1HH1 ARG 125 -17.152 -14.636 -6.612 1083 HH12 ARG 125 2HH1 ARG 125 -16.253 -16.118 -6.575 1084 HH21 ARG 125 1HH2 ARG 125 -13.619 -14.786 -4.661 1085 HH22 ARG 125 2HH2 ARG 125 -14.227 -16.204 -5.459 1086 H THR 126 H THR 126 -18.085 -14.399 -0.526 1087 HA THR 126 HA THR 126 -15.510 -13.293 0.185 1088 HB THR 126 HB THR 126 -17.723 -13.398 2.304 1089 HG1 THR 126 HG1 THR 126 -16.523 -11.346 0.859 1090 HG21 THR 126 3HG2 THR 126 -14.764 -12.767 2.663 1091 HG22 THR 126 1HG2 THR 126 -15.588 -14.204 3.262 1092 HG23 THR 126 2HG2 THR 126 -16.000 -12.615 3.913 Start of MODEL 19 1 H1 SER 58 1H SER 58 -38.178 -31.639 -5.943 2 H2 SER 58 2H SER 58 -37.421 -32.593 -4.774 3 H3 SER 58 3H SER 58 -36.499 -31.605 -5.781 4 HA SER 58 HA SER 58 -38.491 -30.643 -3.816 5 HB2 SER 58 2HB SER 58 -35.442 -30.503 -3.611 6 HB3 SER 58 1HB SER 58 -36.616 -30.039 -2.376 7 HG SER 58 HG SER 58 -37.243 -32.269 -2.300 8 H HIS 59 H HIS 59 -38.852 -28.429 -3.885 9 HA HIS 59 HA HIS 59 -37.190 -26.751 -5.669 10 HB2 HIS 59 2HB HIS 59 -39.255 -25.527 -6.411 11 HB3 HIS 59 1HB HIS 59 -39.173 -27.192 -6.971 12 HD1 HIS 59 HD1 HIS 59 -41.203 -24.869 -4.893 13 HD2 HIS 59 HD2 HIS 59 -41.186 -28.905 -5.868 14 HE1 HIS 59 HE1 HIS 59 -43.442 -25.745 -4.185 15 HE2 HIS 59 HE2 HIS 59 -43.286 -28.229 -4.531 16 H MET 60 H MET 60 -36.125 -26.273 -3.686 17 HA MET 60 HA MET 60 -37.515 -24.840 -1.568 18 HB2 MET 60 2HB MET 60 -34.517 -25.259 -2.027 19 HB3 MET 60 1HB MET 60 -35.240 -24.577 -0.578 20 HG2 MET 60 2HG MET 60 -36.348 -26.724 -0.111 21 HG3 MET 60 1HG MET 60 -35.633 -27.403 -1.578 22 HE1 MET 60 3HE MET 60 -35.238 -28.900 1.149 23 HE2 MET 60 1HE MET 60 -33.509 -29.225 1.142 24 HE3 MET 60 2HE MET 60 -34.445 -29.413 -0.342 25 H ALA 61 H ALA 61 -38.385 -23.023 -2.509 26 HA ALA 61 HA ALA 61 -36.749 -21.047 -3.917 27 HB1 ALA 61 3HB ALA 61 -39.065 -21.471 -4.683 28 HB2 ALA 61 1HB ALA 61 -38.888 -19.806 -4.122 29 HB3 ALA 61 2HB ALA 61 -39.693 -21.001 -3.102 30 H MET 62 H MET 62 -35.343 -20.929 -1.951 31 HA MET 62 HA MET 62 -36.427 -19.337 0.288 32 HB2 MET 62 2HB MET 62 -35.519 -21.528 0.945 33 HB3 MET 62 1HB MET 62 -33.993 -21.176 0.149 34 HG2 MET 62 2HG MET 62 -33.576 -19.360 1.767 35 HG3 MET 62 1HG MET 62 -35.104 -19.720 2.560 36 HE1 MET 62 3HE MET 62 -35.246 -22.884 2.672 37 HE2 MET 62 1HE MET 62 -35.540 -21.858 4.079 38 HE3 MET 62 2HE MET 62 -34.418 -23.210 4.194 39 H LYS 63 H LYS 63 -35.965 -17.240 0.159 40 HA LYS 63 HA LYS 63 -33.195 -16.364 -0.236 41 HB2 LYS 63 2HB LYS 63 -34.336 -15.976 -2.413 42 HB3 LYS 63 1HB LYS 63 -35.590 -15.048 -1.599 43 HG2 LYS 63 2HG LYS 63 -33.891 -13.353 -0.947 44 HG3 LYS 63 1HG LYS 63 -32.652 -14.290 -1.789 45 HD2 LYS 63 2HD LYS 63 -33.781 -13.923 -3.940 46 HD3 LYS 63 1HD LYS 63 -35.111 -13.085 -3.134 47 HE2 LYS 63 2HE LYS 63 -32.224 -12.147 -3.172 48 HE3 LYS 63 1HE LYS 63 -33.516 -11.518 -4.197 49 HZ1 LYS 63 3HZ LYS 63 -33.160 -10.098 -2.275 50 HZ2 LYS 63 1HZ LYS 63 -33.455 -11.392 -1.226 51 HZ3 LYS 63 2HZ LYS 63 -34.695 -10.799 -2.202 52 HA PRO 64 HA PRO 64 -35.055 -14.568 3.616 53 HB2 PRO 64 2HB PRO 64 -32.939 -15.016 5.265 54 HB3 PRO 64 1HB PRO 64 -34.016 -16.339 4.781 55 HG2 PRO 64 2HG PRO 64 -31.315 -15.627 3.693 56 HG3 PRO 64 1HG PRO 64 -31.966 -17.224 4.131 57 HD2 PRO 64 2HD PRO 64 -31.913 -16.279 1.548 58 HD3 PRO 64 1HD PRO 64 -33.103 -17.459 2.139 59 HA PRO 65 HA PRO 65 -32.935 -10.474 3.630 60 HB2 PRO 65 2HB PRO 65 -33.019 -10.564 6.642 61 HB3 PRO 65 1HB PRO 65 -33.667 -9.338 5.529 62 HG2 PRO 65 2HG PRO 65 -35.306 -11.009 6.809 63 HG3 PRO 65 1HG PRO 65 -35.626 -10.539 5.121 64 HD2 PRO 65 2HD PRO 65 -34.417 -13.098 6.176 65 HD3 PRO 65 1HD PRO 65 -35.624 -12.868 4.889 66 H GLY 66 H GLY 66 -30.928 -9.443 4.423 67 HA2 GLY 66 2HA GLY 66 -28.698 -9.458 5.037 68 HA3 GLY 66 1HA GLY 66 -28.867 -11.099 5.635 69 H ALA 67 H ALA 67 -28.993 -9.328 2.549 70 HA ALA 67 HA ALA 67 -28.187 -11.459 0.867 71 HB1 ALA 67 3HB ALA 67 -27.779 -9.704 -0.824 72 HB2 ALA 67 1HB ALA 67 -27.911 -8.465 0.431 73 HB3 ALA 67 2HB ALA 67 -29.315 -9.445 0.009 74 H GLN 68 H GLN 68 -26.237 -12.475 0.975 75 HA GLN 68 HA GLN 68 -23.955 -11.498 2.309 76 HB2 GLN 68 2HB GLN 68 -24.375 -13.918 2.007 77 HB3 GLN 68 1HB GLN 68 -24.143 -13.762 0.271 78 HG2 GLN 68 2HG GLN 68 -22.156 -14.735 1.347 79 HG3 GLN 68 1HG GLN 68 -21.774 -13.167 0.634 80 HE21 GLN 68 1HE2 GLN 68 -21.350 -11.400 2.036 81 HE22 GLN 68 2HE2 GLN 68 -20.976 -11.634 3.706 82 H GLY 69 H GLY 69 -23.298 -9.572 1.580 83 HA2 GLY 69 2HA GLY 69 -21.870 -9.429 -1.000 84 HA3 GLY 69 1HA GLY 69 -23.079 -8.198 -0.627 85 H SER 70 H SER 70 -20.662 -9.862 1.343 86 HA SER 70 HA SER 70 -19.973 -7.473 2.799 87 HB2 SER 70 2HB SER 70 -20.082 -9.578 4.009 88 HB3 SER 70 1HB SER 70 -18.941 -10.346 2.904 89 HG SER 70 HG SER 70 -18.449 -8.301 4.818 90 H GLN 71 H GLN 71 -18.366 -6.136 2.341 91 HA GLN 71 HA GLN 71 -16.388 -6.754 0.239 92 HB2 GLN 71 2HB GLN 71 -15.961 -4.326 0.235 93 HB3 GLN 71 1HB GLN 71 -17.695 -4.632 0.110 94 HG2 GLN 71 2HG GLN 71 -17.893 -4.239 2.571 95 HG3 GLN 71 1HG GLN 71 -16.195 -3.788 2.606 96 HE21 GLN 71 1HE2 GLN 71 -19.389 -2.817 1.758 97 HE22 GLN 71 2HE2 GLN 71 -19.019 -1.184 1.360 98 H SER 72 H SER 72 -16.615 -7.067 3.579 99 HA SER 72 HA SER 72 -14.597 -5.662 4.760 100 HB2 SER 72 2HB SER 72 -15.476 -8.472 5.530 101 HB3 SER 72 1HB SER 72 -14.657 -7.319 6.583 102 HG SER 72 HG SER 72 -16.558 -6.593 7.034 103 H THR 73 H THR 73 -14.135 -9.054 3.586 104 HA THR 73 HA THR 73 -11.472 -9.384 4.159 105 HB THR 73 HB THR 73 -12.990 -11.159 3.214 106 HG1 THR 73 HG1 THR 73 -10.580 -11.259 3.350 107 HG21 THR 73 3HG2 THR 73 -12.198 -10.025 0.504 108 HG22 THR 73 1HG2 THR 73 -13.822 -9.968 1.201 109 HG23 THR 73 2HG2 THR 73 -13.093 -11.520 0.785 110 H TYR 74 H TYR 74 -12.809 -7.607 1.444 111 HA TYR 74 HA TYR 74 -10.261 -7.000 0.214 112 HB2 TYR 74 2HB TYR 74 -12.290 -7.318 -1.153 113 HB3 TYR 74 1HB TYR 74 -13.080 -5.978 -0.332 114 HD1 TYR 74 HD1 TYR 74 -9.657 -6.361 -1.821 115 HD2 TYR 74 HD2 TYR 74 -13.364 -4.251 -1.915 116 HE1 TYR 74 HE1 TYR 74 -8.755 -4.847 -3.517 117 HE2 TYR 74 HE2 TYR 74 -12.455 -2.736 -3.612 118 HH TYR 74 HH TYR 74 -9.730 -3.348 -5.371 119 H THR 75 H THR 75 -12.437 -5.509 2.527 120 HA THR 75 HA THR 75 -11.345 -2.851 2.398 121 HB THR 75 HB THR 75 -12.863 -3.935 4.815 122 HG1 THR 75 HG1 THR 75 -13.762 -3.935 2.318 123 HG21 THR 75 3HG2 THR 75 -12.789 -1.166 3.530 124 HG22 THR 75 1HG2 THR 75 -11.943 -1.624 5.013 125 HG23 THR 75 2HG2 THR 75 -13.706 -1.609 4.970 126 H ASP 76 H ASP 76 -10.341 -5.811 3.953 127 HA ASP 76 HA ASP 76 -8.583 -4.830 5.920 128 HB2 ASP 76 2HB ASP 76 -8.326 -7.280 4.110 129 HB3 ASP 76 1HB ASP 76 -7.172 -6.926 5.393 130 H LEU 77 H LEU 77 -8.266 -5.155 2.423 131 HA LEU 77 HA LEU 77 -5.552 -4.400 2.147 132 HB2 LEU 77 2HB LEU 77 -6.799 -5.604 0.406 133 HB3 LEU 77 1HB LEU 77 -7.870 -4.230 0.186 134 HG LEU 77 HG LEU 77 -6.002 -2.891 -0.726 135 HD11 LEU 77 1HD1 LEU 77 -4.289 -5.357 -0.364 136 HD12 LEU 77 2HD1 LEU 77 -4.128 -3.828 0.503 137 HD13 LEU 77 3HD1 LEU 77 -3.828 -3.888 -1.231 138 HD21 LEU 77 3HD2 LEU 77 -5.696 -4.122 -2.834 139 HD22 LEU 77 1HD2 LEU 77 -7.366 -4.155 -2.276 140 HD23 LEU 77 2HD2 LEU 77 -6.340 -5.579 -2.075 141 H LEU 78 H LEU 78 -8.592 -2.486 1.943 142 HA LEU 78 HA LEU 78 -7.533 0.063 1.434 143 HB2 LEU 78 2HB LEU 78 -9.986 -0.468 1.482 144 HB3 LEU 78 1HB LEU 78 -9.892 -0.646 3.222 145 HG LEU 78 HG LEU 78 -9.024 1.880 3.136 146 HD11 LEU 78 1HD1 LEU 78 -8.856 2.068 0.720 147 HD12 LEU 78 2HD1 LEU 78 -10.026 3.214 1.366 148 HD13 LEU 78 3HD1 LEU 78 -10.586 1.752 0.550 149 HD21 LEU 78 3HD2 LEU 78 -11.951 1.185 2.796 150 HD22 LEU 78 1HD2 LEU 78 -11.305 2.685 3.464 151 HD23 LEU 78 2HD2 LEU 78 -11.038 1.162 4.303 152 H SER 79 H SER 79 -8.033 -1.700 4.433 153 HA SER 79 HA SER 79 -7.314 0.284 6.285 154 HB2 SER 79 2HB SER 79 -8.650 -1.712 6.883 155 HB3 SER 79 1HB SER 79 -7.257 -2.751 6.575 156 HG SER 79 HG SER 79 -7.105 -0.628 8.428 157 H VAL 80 H VAL 80 -5.427 -2.261 4.624 158 HA VAL 80 HA VAL 80 -2.972 -1.941 5.958 159 HB VAL 80 HB VAL 80 -3.373 -2.644 3.006 160 HG11 VAL 80 1HG1 VAL 80 -1.085 -1.957 3.339 161 HG12 VAL 80 2HG1 VAL 80 -1.113 -3.714 3.213 162 HG13 VAL 80 3HG1 VAL 80 -0.934 -2.952 4.791 163 HG21 VAL 80 3HG2 VAL 80 -3.040 -4.501 5.384 164 HG22 VAL 80 1HG2 VAL 80 -3.114 -4.997 3.690 165 HG23 VAL 80 2HG2 VAL 80 -4.511 -4.252 4.455 166 H ILE 81 H ILE 81 -4.270 -0.282 3.071 167 HA ILE 81 HA ILE 81 -1.920 1.119 2.421 168 HB ILE 81 HB ILE 81 -4.753 1.953 1.681 169 HG12 ILE 81 2HG1 ILE 81 -4.408 -0.375 1.019 170 HG13 ILE 81 1HG1 ILE 81 -4.407 0.633 -0.416 171 HG21 ILE 81 1HG2 ILE 81 -2.083 2.573 0.360 172 HG22 ILE 81 2HG2 ILE 81 -3.130 3.708 1.215 173 HG23 ILE 81 3HG2 ILE 81 -3.669 2.990 -0.299 174 HD11 ILE 81 3HD1 ILE 81 -1.988 -0.561 0.938 175 HD12 ILE 81 1HD1 ILE 81 -1.948 0.479 -0.492 176 HD13 ILE 81 2HD1 ILE 81 -2.738 -1.094 -0.564 177 H GLU 82 H GLU 82 -4.771 2.171 4.270 178 HA GLU 82 HA GLU 82 -3.821 4.858 4.631 179 HB2 GLU 82 2HB GLU 82 -5.741 5.098 6.173 180 HB3 GLU 82 1HB GLU 82 -6.200 4.404 4.623 181 HG2 GLU 82 2HG GLU 82 -6.099 2.119 5.741 182 HG3 GLU 82 1HG GLU 82 -5.930 2.971 7.274 183 H GLU 83 H GLU 83 -3.646 1.884 6.556 184 HA GLU 83 HA GLU 83 -2.566 3.054 8.915 185 HB2 GLU 83 2HB GLU 83 -2.360 0.231 7.782 186 HB3 GLU 83 1HB GLU 83 -1.616 0.690 9.307 187 HG2 GLU 83 2HG GLU 83 -4.566 0.702 8.661 188 HG3 GLU 83 1HG GLU 83 -3.720 -0.419 9.720 189 H MET 84 H MET 84 -1.055 1.540 6.040 190 HA MET 84 HA MET 84 1.606 1.749 6.904 191 HB2 MET 84 2HB MET 84 2.161 0.766 4.875 192 HB3 MET 84 1HB MET 84 0.455 0.375 4.902 193 HG2 MET 84 2HG MET 84 0.350 2.738 3.594 194 HG3 MET 84 1HG MET 84 1.953 2.196 3.110 195 HE1 MET 84 3HE MET 84 2.202 -0.462 2.059 196 HE2 MET 84 1HE MET 84 0.792 -1.361 1.505 197 HE3 MET 84 2HE MET 84 1.076 -1.141 3.235 198 H GLY 85 H GLY 85 -0.516 3.980 5.193 199 HA2 GLY 85 2HA GLY 85 1.323 5.907 4.316 200 HA3 GLY 85 1HA GLY 85 -0.373 6.185 4.641 201 H LYS 86 H LYS 86 0.107 5.315 7.493 202 HA LYS 86 HA LYS 86 0.962 7.928 8.552 203 HB2 LYS 86 2HB LYS 86 -0.435 5.553 9.879 204 HB3 LYS 86 1HB LYS 86 -0.071 7.085 10.676 205 HG2 LYS 86 2HG LYS 86 -1.535 8.274 9.089 206 HG3 LYS 86 1HG LYS 86 -1.887 6.757 8.265 207 HD2 LYS 86 2HD LYS 86 -2.605 7.389 11.154 208 HD3 LYS 86 1HD LYS 86 -3.718 7.455 9.788 209 HE2 LYS 86 2HE LYS 86 -3.388 5.030 9.412 210 HE3 LYS 86 1HE LYS 86 -2.303 4.962 10.804 211 HZ1 LYS 86 3HZ LYS 86 -5.195 5.674 10.860 212 HZ2 LYS 86 1HZ LYS 86 -4.178 5.693 12.208 213 HZ3 LYS 86 2HZ LYS 86 -4.511 4.235 11.423 214 H GLU 87 H GLU 87 1.864 4.586 8.335 215 HA GLU 87 HA GLU 87 3.866 4.580 10.428 216 HB2 GLU 87 2HB GLU 87 3.120 2.511 8.321 217 HB3 GLU 87 1HB GLU 87 4.224 2.234 9.669 218 HG2 GLU 87 2HG GLU 87 2.417 2.626 11.277 219 HG3 GLU 87 1HG GLU 87 1.304 2.995 9.960 220 H ILE 88 H ILE 88 3.818 5.720 7.274 221 HA ILE 88 HA ILE 88 6.504 5.236 6.443 222 HB ILE 88 HB ILE 88 4.495 7.395 5.673 223 HG12 ILE 88 2HG1 ILE 88 5.389 4.924 4.141 224 HG13 ILE 88 1HG1 ILE 88 3.943 5.006 5.128 225 HG21 ILE 88 1HG2 ILE 88 7.151 6.820 4.323 226 HG22 ILE 88 2HG2 ILE 88 6.727 8.291 5.198 227 HG23 ILE 88 3HG2 ILE 88 5.896 7.890 3.694 228 HD11 ILE 88 3HD1 ILE 88 3.429 5.242 2.785 229 HD12 ILE 88 1HD1 ILE 88 4.475 6.657 2.671 230 HD13 ILE 88 2HD1 ILE 88 3.021 6.708 3.671 231 H ARG 89 H ARG 89 4.999 7.667 8.546 232 HA ARG 89 HA ARG 89 7.124 9.536 8.532 233 HB2 ARG 89 2HB ARG 89 4.844 10.165 9.203 234 HB3 ARG 89 1HB ARG 89 4.952 9.145 10.633 235 HG2 ARG 89 2HG ARG 89 6.818 10.597 11.469 236 HG3 ARG 89 1HG ARG 89 6.601 11.627 10.054 237 HD2 ARG 89 2HD ARG 89 4.267 12.099 10.787 238 HD3 ARG 89 1HD ARG 89 4.539 11.121 12.227 239 HE ARG 89 HE ARG 89 6.113 13.552 11.639 240 HH11 ARG 89 1HH1 ARG 89 4.217 11.646 13.915 241 HH12 ARG 89 2HH1 ARG 89 4.500 12.736 15.235 242 HH21 ARG 89 1HH2 ARG 89 6.440 14.984 13.374 243 HH22 ARG 89 2HH2 ARG 89 5.756 14.622 14.929 244 HA PRO 90 HA PRO 90 8.812 7.459 12.636 245 HB2 PRO 90 2HB PRO 90 8.116 4.814 13.096 246 HB3 PRO 90 1HB PRO 90 7.270 6.194 13.822 247 HG2 PRO 90 2HG PRO 90 6.516 4.618 11.380 248 HG3 PRO 90 1HG PRO 90 5.492 5.139 12.740 249 HD2 PRO 90 2HD PRO 90 5.472 6.495 10.432 250 HD3 PRO 90 1HD PRO 90 5.382 7.358 11.985 251 H THR 91 H THR 91 8.179 5.330 9.836 252 HA THR 91 HA THR 91 10.653 3.982 9.662 253 HB THR 91 HB THR 91 8.699 4.846 7.487 254 HG1 THR 91 HG1 THR 91 7.660 3.125 8.115 255 HG21 THR 91 3HG2 THR 91 9.732 3.107 6.040 256 HG22 THR 91 1HG2 THR 91 11.009 2.885 7.232 257 HG23 THR 91 2HG2 THR 91 10.856 4.426 6.381 258 H TYR 92 H TYR 92 9.619 7.073 8.220 259 HA TYR 92 HA TYR 92 12.062 7.798 7.004 260 HB2 TYR 92 2HB TYR 92 9.906 8.822 6.371 261 HB3 TYR 92 1HB TYR 92 9.749 9.557 7.966 262 HD1 TYR 92 HD2 TYR 92 12.122 9.438 5.069 263 HD2 TYR 92 HD1 TYR 92 10.478 11.814 8.193 264 HE1 TYR 92 HE2 TYR 92 13.390 11.363 4.263 265 HE2 TYR 92 HE1 TYR 92 11.751 13.762 7.390 266 HH TYR 92 HH TYR 92 13.565 13.677 4.403 267 H ALA 93 H ALA 93 10.894 8.099 10.307 268 HA ALA 93 HA ALA 93 12.964 9.934 11.183 269 HB1 ALA 93 3HB ALA 93 10.738 9.919 12.225 270 HB2 ALA 93 1HB ALA 93 11.996 9.576 13.415 271 HB3 ALA 93 2HB ALA 93 10.996 8.264 12.779 272 H GLY 94 H GLY 94 13.215 6.830 10.201 273 HA2 GLY 94 2HA GLY 94 15.079 5.486 10.291 274 HA3 GLY 94 1HA GLY 94 15.702 6.402 11.650 275 H SER 95 H SER 95 12.520 5.495 12.345 276 HA SER 95 HA SER 95 13.264 3.498 14.227 277 HB2 SER 95 2HB SER 95 10.467 4.107 13.165 278 HB3 SER 95 1HB SER 95 10.867 3.279 14.672 279 HG SER 95 HG SER 95 12.014 5.305 15.207 280 H LYS 96 H LYS 96 14.220 1.719 13.365 281 HA LYS 96 HA LYS 96 13.580 0.344 11.026 282 HB2 LYS 96 2HB LYS 96 14.969 -1.510 11.973 283 HB3 LYS 96 1HB LYS 96 15.730 0.072 12.040 284 HG2 LYS 96 2HG LYS 96 15.201 0.259 14.437 285 HG3 LYS 96 1HG LYS 96 14.408 -1.316 14.398 286 HD2 LYS 96 2HD LYS 96 17.358 -0.802 13.836 287 HD3 LYS 96 1HD LYS 96 16.699 -1.468 15.330 288 HE2 LYS 96 2HE LYS 96 15.838 -3.417 14.042 289 HE3 LYS 96 1HE LYS 96 16.585 -2.756 12.585 290 HZ1 LYS 96 3HZ LYS 96 18.745 -2.927 13.646 291 HZ2 LYS 96 1HZ LYS 96 17.988 -4.439 13.632 292 HZ3 LYS 96 2HZ LYS 96 18.045 -3.529 15.056 293 H SER 97 H SER 97 12.274 -0.057 14.262 294 HA SER 97 HA SER 97 10.962 -2.537 13.914 295 HB2 SER 97 2HB SER 97 10.193 -0.246 15.770 296 HB3 SER 97 1HB SER 97 9.677 -1.925 15.929 297 HG SER 97 HG SER 97 12.382 -1.715 15.753 298 H ALA 98 H ALA 98 9.872 0.830 13.439 299 HA ALA 98 HA ALA 98 7.253 0.283 12.526 300 HB1 ALA 98 3HB ALA 98 7.961 2.483 13.352 301 HB2 ALA 98 1HB ALA 98 7.286 2.614 11.724 302 HB3 ALA 98 2HB ALA 98 9.035 2.679 11.967 303 H MET 99 H MET 99 10.362 0.505 10.902 304 HA MET 99 HA MET 99 9.435 0.687 8.232 305 HB2 MET 99 2HB MET 99 11.626 1.502 8.791 306 HB3 MET 99 1HB MET 99 12.128 -0.052 9.434 307 HG2 MET 99 2HG MET 99 11.413 0.180 6.516 308 HG3 MET 99 1HG MET 99 12.984 0.736 7.087 309 HE1 MET 99 3HE MET 99 13.565 -1.401 9.467 310 HE2 MET 99 1HE MET 99 14.737 -0.785 8.299 311 HE3 MET 99 2HE MET 99 14.557 -2.522 8.536 312 H GLU 100 H GLU 100 10.552 -2.122 10.159 313 HA GLU 100 HA GLU 100 10.250 -4.044 8.077 314 HB2 GLU 100 2HB GLU 100 10.404 -5.751 9.895 315 HB3 GLU 100 1HB GLU 100 11.690 -4.551 9.966 316 HG2 GLU 100 2HG GLU 100 10.571 -3.392 11.790 317 HG3 GLU 100 1HG GLU 100 9.198 -4.487 11.681 318 H ARG 101 H ARG 101 8.108 -2.878 10.609 319 HA ARG 101 HA ARG 101 5.822 -4.474 10.159 320 HB2 ARG 101 2HB ARG 101 6.002 -3.207 12.188 321 HB3 ARG 101 1HB ARG 101 6.353 -1.723 11.324 322 HG2 ARG 101 2HG ARG 101 4.200 -1.520 12.306 323 HG3 ARG 101 1HG ARG 101 3.984 -1.637 10.566 324 HD2 ARG 101 2HD ARG 101 3.662 -4.063 12.343 325 HD3 ARG 101 1HD ARG 101 2.356 -2.903 12.149 326 HE ARG 101 HE ARG 101 3.237 -4.875 10.252 327 HH11 ARG 101 1HH1 ARG 101 1.512 -1.797 10.573 328 HH12 ARG 101 2HH1 ARG 101 0.639 -2.008 9.091 329 HH21 ARG 101 1HH2 ARG 101 2.067 -5.095 8.301 330 HH22 ARG 101 2HH2 ARG 101 0.950 -3.856 7.825 331 H LEU 102 H LEU 102 6.958 -1.419 8.707 332 HA LEU 102 HA LEU 102 4.667 -0.813 7.155 333 HB2 LEU 102 2HB LEU 102 6.483 0.827 7.745 334 HB3 LEU 102 1HB LEU 102 7.575 -0.019 6.660 335 HG LEU 102 HG LEU 102 6.116 0.596 4.732 336 HD11 LEU 102 1HD1 LEU 102 4.339 2.247 4.999 337 HD12 LEU 102 2HD1 LEU 102 4.527 2.184 6.752 338 HD13 LEU 102 3HD1 LEU 102 3.977 0.757 5.866 339 HD21 LEU 102 3HD2 LEU 102 8.021 2.025 5.293 340 HD22 LEU 102 1HD2 LEU 102 7.004 2.983 6.373 341 HD23 LEU 102 2HD2 LEU 102 6.687 2.968 4.634 342 H LYS 103 H LYS 103 7.698 -2.548 6.395 343 HA LYS 103 HA LYS 103 7.130 -3.194 3.705 344 HB2 LYS 103 2HB LYS 103 8.919 -4.622 5.712 345 HB3 LYS 103 1HB LYS 103 8.897 -4.967 3.986 346 HG2 LYS 103 2HG LYS 103 9.634 -2.631 3.531 347 HG3 LYS 103 1HG LYS 103 9.711 -2.332 5.267 348 HD2 LYS 103 2HD LYS 103 11.390 -4.338 3.709 349 HD3 LYS 103 1HD LYS 103 11.954 -2.814 4.392 350 HE2 LYS 103 2HE LYS 103 11.456 -3.670 6.668 351 HE3 LYS 103 1HE LYS 103 10.929 -5.199 5.959 352 HZ1 LYS 103 3HZ LYS 103 13.205 -5.391 4.991 353 HZ2 LYS 103 1HZ LYS 103 13.168 -5.465 6.680 354 HZ3 LYS 103 2HZ LYS 103 13.664 -4.050 5.909 355 H ARG 104 H ARG 104 6.438 -4.943 6.755 356 HA ARG 104 HA ARG 104 5.274 -7.228 5.578 357 HB2 ARG 104 2HB ARG 104 5.926 -7.171 7.976 358 HB3 ARG 104 1HB ARG 104 4.635 -6.018 8.305 359 HG2 ARG 104 2HG ARG 104 2.953 -7.681 7.697 360 HG3 ARG 104 1HG ARG 104 4.205 -8.833 7.252 361 HD2 ARG 104 2HD ARG 104 4.898 -9.054 9.575 362 HD3 ARG 104 1HD ARG 104 3.799 -7.753 10.064 363 HE ARG 104 HE ARG 104 2.209 -9.613 8.797 364 HH11 ARG 104 1HH1 ARG 104 4.266 -9.689 11.658 365 HH12 ARG 104 2HH1 ARG 104 3.315 -10.900 12.455 366 HH21 ARG 104 1HH2 ARG 104 0.951 -11.171 9.870 367 HH22 ARG 104 2HH2 ARG 104 1.430 -11.743 11.438 368 H GLY 105 H GLY 105 3.998 -4.022 6.238 369 HA2 GLY 105 2HA GLY 105 1.315 -4.320 5.621 370 HA3 GLY 105 1HA GLY 105 2.282 -2.907 5.225 371 H ILE 106 H ILE 106 4.050 -3.857 3.358 372 HA ILE 106 HA ILE 106 2.462 -4.007 0.999 373 HB ILE 106 HB ILE 106 5.436 -4.076 1.524 374 HG12 ILE 106 2HG1 ILE 106 5.296 -2.032 -0.051 375 HG13 ILE 106 1HG1 ILE 106 3.557 -2.169 0.090 376 HG21 ILE 106 1HG2 ILE 106 4.266 -4.483 -1.240 377 HG22 ILE 106 2HG2 ILE 106 5.186 -5.677 -0.328 378 HG23 ILE 106 3HG2 ILE 106 5.966 -4.191 -0.870 379 HD11 ILE 106 3HD1 ILE 106 4.524 -0.471 1.552 380 HD12 ILE 106 1HD1 ILE 106 5.458 -1.721 2.369 381 HD13 ILE 106 2HD1 ILE 106 3.698 -1.736 2.463 382 H ILE 107 H ILE 107 4.241 -6.458 2.850 383 HA ILE 107 HA ILE 107 4.048 -8.637 1.056 384 HB ILE 107 HB ILE 107 4.080 -8.712 4.115 385 HG12 ILE 107 2HG1 ILE 107 6.441 -8.933 2.186 386 HG13 ILE 107 1HG1 ILE 107 6.013 -7.474 3.068 387 HG21 ILE 107 1HG2 ILE 107 3.355 -10.870 3.175 388 HG22 ILE 107 2HG2 ILE 107 4.961 -11.012 3.892 389 HG23 ILE 107 3HG2 ILE 107 4.785 -10.913 2.139 390 HD11 ILE 107 3HD1 ILE 107 7.841 -8.590 4.148 391 HD12 ILE 107 1HD1 ILE 107 6.910 -10.081 4.283 392 HD13 ILE 107 2HD1 ILE 107 6.418 -8.647 5.187 393 H HIS 108 H HIS 108 1.942 -7.546 3.659 394 HA HIS 108 HA HIS 108 -0.078 -9.547 3.443 395 HB2 HIS 108 2HB HIS 108 0.305 -8.234 5.521 396 HB3 HIS 108 1HB HIS 108 -0.213 -6.769 4.693 397 HD1 HIS 108 HD1 HIS 108 -2.377 -6.196 5.792 398 HD2 HIS 108 HD2 HIS 108 -2.140 -10.234 4.883 399 HE1 HIS 108 HE1 HIS 108 -4.641 -7.137 6.329 400 HE2 HIS 108 HE2 HIS 108 -4.391 -9.609 5.972 401 H ALA 109 H ALA 109 0.228 -6.232 2.180 402 HA ALA 109 HA ALA 109 -2.373 -5.948 1.090 403 HB1 ALA 109 3HB ALA 109 0.206 -4.570 0.265 404 HB2 ALA 109 1HB ALA 109 -0.893 -4.030 1.529 405 HB3 ALA 109 2HB ALA 109 -1.430 -4.043 -0.146 406 H ARG 110 H ARG 110 0.704 -7.045 -0.262 407 HA ARG 110 HA ARG 110 0.005 -7.141 -3.002 408 HB2 ARG 110 2HB ARG 110 2.335 -7.141 -2.110 409 HB3 ARG 110 1HB ARG 110 2.092 -8.763 -1.470 410 HG2 ARG 110 2HG ARG 110 1.756 -9.567 -3.833 411 HG3 ARG 110 1HG ARG 110 2.164 -7.940 -4.392 412 HD2 ARG 110 2HD ARG 110 3.947 -9.827 -2.836 413 HD3 ARG 110 1HD ARG 110 4.131 -9.345 -4.518 414 HE ARG 110 HE ARG 110 4.419 -7.472 -2.243 415 HH11 ARG 110 1HH1 ARG 110 5.540 -8.697 -5.357 416 HH12 ARG 110 2HH1 ARG 110 6.836 -7.550 -5.482 417 HH21 ARG 110 1HH2 ARG 110 6.112 -5.996 -2.387 418 HH22 ARG 110 2HH2 ARG 110 7.158 -5.995 -3.769 419 H ALA 111 H ALA 111 -0.105 -9.518 -0.402 420 HA ALA 111 HA ALA 111 -0.832 -11.805 -1.892 421 HB1 ALA 111 3HB ALA 111 0.094 -11.920 0.382 422 HB2 ALA 111 1HB ALA 111 -1.457 -12.758 0.293 423 HB3 ALA 111 2HB ALA 111 -1.360 -11.153 1.024 424 H LEU 112 H LEU 112 -2.684 -9.244 -0.333 425 HA LEU 112 HA LEU 112 -5.290 -10.345 -0.687 426 HB2 LEU 112 2HB LEU 112 -4.355 -7.487 -0.210 427 HB3 LEU 112 1HB LEU 112 -6.050 -7.947 -0.232 428 HG LEU 112 HG LEU 112 -4.019 -9.090 1.730 429 HD11 LEU 112 1HD1 LEU 112 -4.974 -7.620 3.427 430 HD12 LEU 112 2HD1 LEU 112 -6.032 -6.877 2.223 431 HD13 LEU 112 3HD1 LEU 112 -4.281 -6.680 2.106 432 HD21 LEU 112 3HD2 LEU 112 -5.917 -10.572 1.353 433 HD22 LEU 112 1HD2 LEU 112 -7.049 -9.258 1.691 434 HD23 LEU 112 2HD2 LEU 112 -5.993 -9.872 2.967 435 H VAL 113 H VAL 113 -3.353 -8.013 -2.609 436 HA VAL 113 HA VAL 113 -5.414 -7.373 -4.463 437 HB VAL 113 HB VAL 113 -2.410 -7.100 -4.953 438 HG11 VAL 113 1HG1 VAL 113 -4.770 -5.682 -6.253 439 HG12 VAL 113 2HG1 VAL 113 -3.730 -6.893 -7.009 440 HG13 VAL 113 3HG1 VAL 113 -3.069 -5.323 -6.556 441 HG21 VAL 113 3HG2 VAL 113 -4.303 -5.051 -3.756 442 HG22 VAL 113 1HG2 VAL 113 -2.610 -4.772 -4.175 443 HG23 VAL 113 2HG2 VAL 113 -3.031 -5.909 -2.896 444 H ARG 114 H ARG 114 -2.711 -9.694 -4.589 445 HA ARG 114 HA ARG 114 -2.876 -10.268 -7.343 446 HB2 ARG 114 2HB ARG 114 -1.375 -12.151 -6.896 447 HB3 ARG 114 1HB ARG 114 -0.846 -10.701 -6.053 448 HG2 ARG 114 2HG ARG 114 -1.709 -11.568 -3.940 449 HG3 ARG 114 1HG ARG 114 -2.355 -12.992 -4.761 450 HD2 ARG 114 2HD ARG 114 0.583 -12.248 -4.586 451 HD3 ARG 114 1HD ARG 114 -0.234 -13.473 -3.608 452 HE ARG 114 HE ARG 114 -0.548 -13.918 -6.420 453 HH11 ARG 114 1HH1 ARG 114 1.693 -14.442 -3.721 454 HH12 ARG 114 2HH1 ARG 114 2.450 -15.805 -4.483 455 HH21 ARG 114 1HH2 ARG 114 0.447 -15.678 -7.372 456 HH22 ARG 114 2HH2 ARG 114 1.739 -16.502 -6.555 457 H GLU 115 H GLU 115 -4.239 -12.050 -4.574 458 HA GLU 115 HA GLU 115 -5.540 -14.041 -6.167 459 HB2 GLU 115 2HB GLU 115 -6.736 -14.678 -4.104 460 HB3 GLU 115 1HB GLU 115 -5.002 -14.520 -3.852 461 HG2 GLU 115 2HG GLU 115 -5.401 -12.261 -2.851 462 HG3 GLU 115 1HG GLU 115 -7.134 -12.543 -3.019 463 H CYS 116 H CYS 116 -6.548 -10.891 -4.921 464 HA CYS 116 HA CYS 116 -9.301 -11.117 -5.664 465 HB2 CYS 116 2HB CYS 116 -8.558 -9.582 -3.915 466 HB3 CYS 116 1HB CYS 116 -7.621 -8.657 -5.087 467 HG CYS 116 HG CYS 116 -10.443 -8.514 -6.442 468 H LEU 117 H LEU 117 -6.402 -10.384 -7.495 469 HA LEU 117 HA LEU 117 -7.424 -8.983 -9.687 470 HB2 LEU 117 2HB LEU 117 -5.355 -11.226 -9.729 471 HB3 LEU 117 1HB LEU 117 -5.673 -10.155 -11.082 472 HG LEU 117 HG LEU 117 -4.489 -9.336 -8.399 473 HD11 LEU 117 1HD1 LEU 117 -3.199 -9.494 -11.142 474 HD12 LEU 117 2HD1 LEU 117 -2.892 -10.571 -9.775 475 HD13 LEU 117 3HD1 LEU 117 -2.439 -8.873 -9.672 476 HD21 LEU 117 3HD2 LEU 117 -5.033 -7.632 -10.838 477 HD22 LEU 117 1HD2 LEU 117 -4.170 -7.121 -9.384 478 HD23 LEU 117 2HD2 LEU 117 -5.874 -7.546 -9.291 479 H ALA 118 H ALA 118 -7.583 -12.405 -8.895 480 HA ALA 118 HA ALA 118 -8.587 -13.505 -11.227 481 HB1 ALA 118 3HB ALA 118 -7.716 -14.824 -9.348 482 HB2 ALA 118 1HB ALA 118 -9.319 -15.390 -9.823 483 HB3 ALA 118 2HB ALA 118 -9.125 -14.394 -8.377 484 H GLU 119 H GLU 119 -10.545 -12.398 -8.387 485 HA GLU 119 HA GLU 119 -13.064 -12.772 -9.669 486 HB2 GLU 119 2HB GLU 119 -14.006 -11.611 -7.706 487 HB3 GLU 119 1HB GLU 119 -12.818 -12.820 -7.219 488 HG2 GLU 119 2HG GLU 119 -11.121 -11.045 -6.957 489 HG3 GLU 119 1HG GLU 119 -12.326 -9.843 -7.410 490 H THR 120 H THR 120 -10.827 -10.050 -9.562 491 HA THR 120 HA THR 120 -12.585 -8.017 -10.514 492 HB THR 120 HB THR 120 -9.550 -8.240 -10.770 493 HG1 THR 120 HG1 THR 120 -9.624 -7.820 -8.713 494 HG21 THR 120 3HG2 THR 120 -11.302 -5.762 -10.999 495 HG22 THR 120 1HG2 THR 120 -10.418 -6.517 -12.329 496 HG23 THR 120 2HG2 THR 120 -9.539 -5.783 -10.987 497 H GLU 121 H GLU 121 -10.721 -10.540 -12.091 498 HA GLU 121 HA GLU 121 -11.120 -9.817 -14.806 499 HB2 GLU 121 2HB GLU 121 -10.820 -12.603 -13.613 500 HB3 GLU 121 1HB GLU 121 -10.660 -12.194 -15.321 501 HG2 GLU 121 2HG GLU 121 -8.712 -10.755 -14.772 502 HG3 GLU 121 1HG GLU 121 -8.858 -11.248 -13.086 503 H ARG 122 H ARG 122 -13.194 -11.440 -12.440 504 HA ARG 122 HA ARG 122 -15.198 -12.297 -14.321 505 HB2 ARG 122 2HB ARG 122 -14.905 -13.446 -12.156 506 HB3 ARG 122 1HB ARG 122 -15.233 -11.953 -11.284 507 HG2 ARG 122 2HG ARG 122 -17.564 -11.974 -12.192 508 HG3 ARG 122 1HG ARG 122 -17.221 -13.521 -12.971 509 HD2 ARG 122 2HD ARG 122 -16.811 -14.548 -10.766 510 HD3 ARG 122 1HD ARG 122 -17.102 -12.991 -9.980 511 HE ARG 122 HE ARG 122 -19.356 -13.668 -11.526 512 HH11 ARG 122 1HH1 ARG 122 -17.725 -14.708 -8.577 513 HH12 ARG 122 2HH1 ARG 122 -19.171 -15.329 -7.846 514 HH21 ARG 122 1HH2 ARG 122 -21.257 -14.521 -10.558 515 HH22 ARG 122 2HH2 ARG 122 -21.168 -15.222 -8.972 516 H ASN 123 H ASN 123 -14.645 -9.516 -12.168 517 HA ASN 123 HA ASN 123 -17.057 -8.111 -12.723 518 HB2 ASN 123 2HB ASN 123 -14.369 -7.189 -11.642 519 HB3 ASN 123 1HB ASN 123 -15.666 -6.044 -11.956 520 HD21 ASN 123 1HD2 ASN 123 -16.120 -5.430 -9.892 521 HD22 ASN 123 2HD2 ASN 123 -16.666 -6.503 -8.656 522 H ALA 124 H ALA 124 -17.368 -6.264 -14.025 523 HA ALA 124 HA ALA 124 -15.918 -6.247 -16.585 524 HB1 ALA 124 3HB ALA 124 -17.789 -4.830 -17.360 525 HB2 ALA 124 1HB ALA 124 -18.459 -4.786 -15.726 526 HB3 ALA 124 2HB ALA 124 -18.391 -6.309 -16.616 527 H ARG 125 H ARG 125 -15.036 -5.023 -13.828 528 HA ARG 125 HA ARG 125 -14.791 -2.218 -14.180 529 HB2 ARG 125 2HB ARG 125 -14.626 -3.349 -11.953 530 HB3 ARG 125 1HB ARG 125 -13.118 -4.116 -12.444 531 HG2 ARG 125 2HG ARG 125 -12.783 -2.152 -10.962 532 HG3 ARG 125 1HG ARG 125 -11.992 -1.956 -12.529 533 HD2 ARG 125 2HD ARG 125 -13.183 0.095 -11.690 534 HD3 ARG 125 1HD ARG 125 -13.735 -0.451 -13.283 535 HE ARG 125 HE ARG 125 -15.225 -1.528 -11.064 536 HH11 ARG 125 1HH1 ARG 125 -15.089 1.184 -13.323 537 HH12 ARG 125 2HH1 ARG 125 -16.768 1.576 -13.113 538 HH21 ARG 125 1HH2 ARG 125 -17.394 -1.010 -10.804 539 HH22 ARG 125 2HH2 ARG 125 -18.081 0.328 -11.679 540 H THR 126 H THR 126 -13.729 -1.408 -15.864 541 HA THR 126 HA THR 126 -11.066 -2.411 -16.614 542 HB THR 126 HB THR 126 -12.470 -3.289 -18.339 543 HG1 THR 126 HG1 THR 126 -10.931 -2.591 -19.584 544 HG21 THR 126 3HG2 THR 126 -14.516 -1.964 -17.961 545 HG22 THR 126 1HG2 THR 126 -14.076 -2.004 -19.673 546 HG23 THR 126 2HG2 THR 126 -13.750 -0.561 -18.711 547 H1 SER 58 1H SER 58 12.721 -19.983 -3.310 548 H2 SER 58 2H SER 58 13.006 -21.224 -4.415 549 H3 SER 58 3H SER 58 12.423 -21.584 -2.868 550 HA SER 58 HA SER 58 10.697 -21.729 -4.553 551 HB2 SER 58 2HB SER 58 10.086 -21.145 -2.224 552 HB3 SER 58 1HB SER 58 10.343 -19.434 -2.570 553 HG SER 58 HG SER 58 8.301 -21.161 -3.469 554 H HIS 59 H HIS 59 9.361 -20.678 -6.100 555 HA HIS 59 HA HIS 59 10.177 -18.008 -7.053 556 HB2 HIS 59 2HB HIS 59 10.072 -18.739 -9.399 557 HB3 HIS 59 1HB HIS 59 11.264 -19.693 -8.526 558 HD1 HIS 59 HD1 HIS 59 8.490 -20.004 -10.795 559 HD2 HIS 59 HD2 HIS 59 10.204 -22.408 -7.867 560 HE1 HIS 59 HE1 HIS 59 7.675 -22.327 -11.264 561 HE2 HIS 59 HE2 HIS 59 8.533 -23.705 -9.346 562 H MET 60 H MET 60 8.416 -16.707 -7.003 563 HA MET 60 HA MET 60 5.701 -17.810 -7.436 564 HB2 MET 60 2HB MET 60 6.546 -16.165 -5.006 565 HB3 MET 60 1HB MET 60 4.876 -16.493 -5.433 566 HG2 MET 60 2HG MET 60 5.349 -18.940 -5.164 567 HG3 MET 60 1HG MET 60 6.962 -18.515 -4.596 568 HE1 MET 60 3HE MET 60 4.719 -20.306 -2.992 569 HE2 MET 60 1HE MET 60 4.995 -19.710 -1.357 570 HE3 MET 60 2HE MET 60 6.368 -20.045 -2.415 571 H ALA 61 H ALA 61 7.836 -15.695 -8.583 572 HA ALA 61 HA ALA 61 5.795 -13.624 -9.225 573 HB1 ALA 61 3HB ALA 61 7.550 -12.695 -7.765 574 HB2 ALA 61 1HB ALA 61 7.629 -11.985 -9.377 575 HB3 ALA 61 2HB ALA 61 8.801 -13.217 -8.898 576 H MET 62 H MET 62 5.159 -13.943 -11.254 577 HA MET 62 HA MET 62 7.074 -14.091 -13.463 578 HB2 MET 62 2HB MET 62 6.565 -16.486 -12.946 579 HB3 MET 62 1HB MET 62 4.841 -16.167 -13.103 580 HG2 MET 62 2HG MET 62 5.280 -15.510 -15.511 581 HG3 MET 62 1HG MET 62 6.934 -16.073 -15.296 582 HE1 MET 62 3HE MET 62 6.308 -19.935 -14.612 583 HE2 MET 62 1HE MET 62 6.472 -18.664 -13.404 584 HE3 MET 62 2HE MET 62 7.549 -18.700 -14.802 585 H LYS 63 H LYS 63 6.408 -12.569 -14.892 586 HA LYS 63 HA LYS 63 3.519 -11.945 -15.156 587 HB2 LYS 63 2HB LYS 63 4.756 -10.166 -13.846 588 HB3 LYS 63 1HB LYS 63 5.798 -9.909 -15.244 589 HG2 LYS 63 2HG LYS 63 3.736 -9.333 -16.584 590 HG3 LYS 63 1HG LYS 63 2.805 -9.415 -15.086 591 HD2 LYS 63 2HD LYS 63 4.206 -7.577 -14.141 592 HD3 LYS 63 1HD LYS 63 5.097 -7.494 -15.667 593 HE2 LYS 63 2HE LYS 63 2.139 -6.947 -15.285 594 HE3 LYS 63 1HE LYS 63 3.389 -5.747 -15.603 595 HZ1 LYS 63 3HZ LYS 63 3.755 -6.747 -17.772 596 HZ2 LYS 63 1HZ LYS 63 2.136 -6.313 -17.599 597 HZ3 LYS 63 2HZ LYS 63 2.590 -7.933 -17.458 598 HA PRO 64 HA PRO 64 5.047 -12.887 -19.454 599 HB2 PRO 64 2HB PRO 64 2.951 -14.430 -20.191 600 HB3 PRO 64 1HB PRO 64 4.198 -15.065 -19.103 601 HG2 PRO 64 2HG PRO 64 1.505 -13.941 -18.393 602 HG3 PRO 64 1HG PRO 64 2.249 -15.464 -17.857 603 HD2 PRO 64 2HD PRO 64 2.308 -13.200 -16.351 604 HD3 PRO 64 1HD PRO 64 3.612 -14.410 -16.316 605 HA PRO 65 HA PRO 65 2.543 -9.718 -21.516 606 HB2 PRO 65 2HB PRO 65 2.161 -11.161 -24.065 607 HB3 PRO 65 1HB PRO 65 3.247 -9.806 -23.704 608 HG2 PRO 65 2HG PRO 65 4.164 -12.305 -24.225 609 HG3 PRO 65 1HG PRO 65 5.013 -11.178 -23.142 610 HD2 PRO 65 2HD PRO 65 3.178 -13.467 -22.420 611 HD3 PRO 65 1HD PRO 65 4.750 -13.014 -21.717 612 H GLY 66 H GLY 66 0.857 -11.809 -20.109 613 HA2 GLY 66 2HA GLY 66 -1.596 -12.064 -21.644 614 HA3 GLY 66 1HA GLY 66 -1.327 -12.549 -19.980 615 H ALA 67 H ALA 67 -1.608 -9.617 -21.970 616 HA ALA 67 HA ALA 67 -2.324 -7.927 -19.716 617 HB1 ALA 67 3HB ALA 67 -0.924 -7.060 -21.550 618 HB2 ALA 67 1HB ALA 67 -2.425 -6.137 -21.429 619 HB3 ALA 67 2HB ALA 67 -2.228 -7.340 -22.707 620 H GLN 68 H GLN 68 -4.354 -8.161 -18.891 621 HA GLN 68 HA GLN 68 -6.675 -8.396 -20.727 622 HB2 GLN 68 2HB GLN 68 -6.560 -10.075 -18.901 623 HB3 GLN 68 1HB GLN 68 -6.572 -8.789 -17.701 624 HG2 GLN 68 2HG GLN 68 -8.833 -8.079 -18.685 625 HG3 GLN 68 1HG GLN 68 -8.798 -9.592 -19.588 626 HE21 GLN 68 1HE2 GLN 68 -9.015 -11.566 -18.429 627 HE22 GLN 68 2HE2 GLN 68 -9.634 -11.601 -16.819 628 H GLY 69 H GLY 69 -7.633 -6.561 -21.242 629 HA2 GLY 69 2HA GLY 69 -6.949 -4.038 -20.204 630 HA3 GLY 69 1HA GLY 69 -8.288 -4.375 -21.281 631 H SER 70 H SER 70 -9.296 -6.285 -19.042 632 HA SER 70 HA SER 70 -10.853 -4.355 -17.577 633 HB2 SER 70 2HB SER 70 -10.711 -7.390 -17.279 634 HB3 SER 70 1HB SER 70 -11.925 -6.341 -16.541 635 HG SER 70 HG SER 70 -12.890 -6.076 -18.413 636 H GLN 71 H GLN 71 -8.705 -7.008 -16.409 637 HA GLN 71 HA GLN 71 -8.834 -6.185 -13.731 638 HB2 GLN 71 2HB GLN 71 -7.068 -7.779 -13.221 639 HB3 GLN 71 1HB GLN 71 -8.203 -8.499 -14.358 640 HG2 GLN 71 2HG GLN 71 -6.657 -8.277 -16.172 641 HG3 GLN 71 1HG GLN 71 -5.577 -7.262 -15.224 642 HE21 GLN 71 1HE2 GLN 71 -6.736 -10.529 -15.730 643 HE22 GLN 71 2HE2 GLN 71 -5.450 -11.315 -14.889 644 H SER 72 H SER 72 -6.719 -5.066 -16.289 645 HA SER 72 HA SER 72 -4.330 -4.443 -15.117 646 HB2 SER 72 2HB SER 72 -5.830 -2.712 -17.121 647 HB3 SER 72 1HB SER 72 -4.104 -2.608 -16.785 648 HG SER 72 HG SER 72 -5.423 -4.304 -18.425 649 H THR 73 H THR 73 -7.219 -2.414 -14.947 650 HA THR 73 HA THR 73 -6.233 -0.192 -13.618 651 HB THR 73 HB THR 73 -8.462 -0.184 -14.567 652 HG1 THR 73 HG1 THR 73 -7.847 0.940 -12.342 653 HG21 THR 73 3HG2 THR 73 -9.335 -2.045 -12.330 654 HG22 THR 73 1HG2 THR 73 -9.198 -2.484 -14.030 655 HG23 THR 73 2HG2 THR 73 -10.392 -1.286 -13.525 656 H TYR 74 H TYR 74 -7.465 -3.204 -12.144 657 HA TYR 74 HA TYR 74 -6.761 -2.334 -9.454 658 HB2 TYR 74 2HB TYR 74 -8.829 -3.612 -9.827 659 HB3 TYR 74 1HB TYR 74 -7.912 -4.951 -10.508 660 HD1 TYR 74 HD1 TYR 74 -8.022 -2.876 -7.388 661 HD2 TYR 74 HD2 TYR 74 -7.480 -6.754 -9.068 662 HE1 TYR 74 HE1 TYR 74 -7.739 -3.810 -5.142 663 HE2 TYR 74 HE2 TYR 74 -7.202 -7.690 -6.826 664 HH TYR 74 HH TYR 74 -8.033 -6.142 -4.039 665 H THR 75 H THR 75 -5.315 -4.236 -12.017 666 HA THR 75 HA THR 75 -3.305 -5.554 -10.413 667 HB THR 75 HB THR 75 -3.155 -5.040 -13.426 668 HG1 THR 75 HG1 THR 75 -4.157 -7.439 -12.980 669 HG21 THR 75 3HG2 THR 75 -2.122 -7.368 -11.747 670 HG22 THR 75 1HG2 THR 75 -1.124 -6.070 -12.413 671 HG23 THR 75 2HG2 THR 75 -1.955 -7.188 -13.493 672 H ASP 76 H ASP 76 -3.737 -2.495 -11.903 673 HA ASP 76 HA ASP 76 -1.198 -1.341 -11.818 674 HB2 ASP 76 2HB ASP 76 -3.100 -0.262 -12.903 675 HB3 ASP 76 1HB ASP 76 -3.967 -0.153 -11.378 676 H LEU 77 H LEU 77 -3.678 -1.801 -9.326 677 HA LEU 77 HA LEU 77 -2.387 -0.487 -7.195 678 HB2 LEU 77 2HB LEU 77 -4.761 -1.094 -7.095 679 HB3 LEU 77 1HB LEU 77 -4.363 -2.803 -7.149 680 HG LEU 77 HG LEU 77 -3.371 -2.699 -4.902 681 HD11 LEU 77 1HD1 LEU 77 -3.429 -0.687 -3.523 682 HD12 LEU 77 2HD1 LEU 77 -4.030 0.256 -4.889 683 HD13 LEU 77 3HD1 LEU 77 -2.414 -0.455 -4.944 684 HD21 LEU 77 3HD2 LEU 77 -5.370 -2.204 -3.580 685 HD22 LEU 77 1HD2 LEU 77 -5.770 -3.104 -5.041 686 HD23 LEU 77 2HD2 LEU 77 -6.092 -1.370 -4.960 687 H LEU 78 H LEU 78 -2.221 -3.924 -8.290 688 HA LEU 78 HA LEU 78 -0.531 -4.919 -6.274 689 HB2 LEU 78 2HB LEU 78 -1.715 -6.311 -8.023 690 HB3 LEU 78 1HB LEU 78 -0.539 -5.763 -9.204 691 HG LEU 78 HG LEU 78 1.279 -6.860 -7.834 692 HD11 LEU 78 1HD1 LEU 78 0.222 -6.869 -5.651 693 HD12 LEU 78 2HD1 LEU 78 0.690 -8.500 -6.121 694 HD13 LEU 78 3HD1 LEU 78 -1.003 -8.011 -6.214 695 HD21 LEU 78 3HD2 LEU 78 -0.902 -8.743 -8.771 696 HD22 LEU 78 1HD2 LEU 78 0.804 -9.141 -8.541 697 HD23 LEU 78 2HD2 LEU 78 0.331 -7.990 -9.788 698 H SER 79 H SER 79 0.195 -3.207 -9.271 699 HA SER 79 HA SER 79 3.001 -3.269 -9.211 700 HB2 SER 79 2HB SER 79 1.797 -2.553 -11.205 701 HB3 SER 79 1HB SER 79 1.087 -1.192 -10.344 702 HG SER 79 HG SER 79 3.095 -0.234 -10.238 703 H VAL 80 H VAL 80 0.684 -0.804 -7.929 704 HA VAL 80 HA VAL 80 2.550 1.020 -6.895 705 HB VAL 80 HB VAL 80 -0.265 0.468 -5.814 706 HG11 VAL 80 1HG1 VAL 80 1.053 1.806 -4.220 707 HG12 VAL 80 2HG1 VAL 80 -0.219 2.779 -4.953 708 HG13 VAL 80 3HG1 VAL 80 1.451 2.966 -5.494 709 HG21 VAL 80 3HG2 VAL 80 -1.023 2.315 -7.261 710 HG22 VAL 80 1HG2 VAL 80 -0.317 1.008 -8.209 711 HG23 VAL 80 2HG2 VAL 80 0.608 2.477 -7.921 712 H ILE 81 H ILE 81 0.969 -1.771 -5.300 713 HA ILE 81 HA ILE 81 1.914 -1.517 -2.719 714 HB ILE 81 HB ILE 81 1.511 -4.119 -4.265 715 HG12 ILE 81 2HG1 ILE 81 -0.544 -2.834 -4.315 716 HG13 ILE 81 1HG1 ILE 81 -0.764 -4.153 -3.184 717 HG21 ILE 81 1HG2 ILE 81 1.634 -3.663 -1.266 718 HG22 ILE 81 2HG2 ILE 81 2.777 -4.576 -2.254 719 HG23 ILE 81 3HG2 ILE 81 1.131 -5.167 -2.043 720 HD11 ILE 81 3HD1 ILE 81 -0.279 -1.253 -2.514 721 HD12 ILE 81 1HD1 ILE 81 -0.397 -2.554 -1.323 722 HD13 ILE 81 2HD1 ILE 81 -1.779 -2.157 -2.341 723 H GLU 82 H GLU 82 3.474 -3.297 -5.418 724 HA GLU 82 HA GLU 82 5.767 -4.101 -3.956 725 HB2 GLU 82 2HB GLU 82 5.065 -5.273 -6.026 726 HB3 GLU 82 1HB GLU 82 5.407 -3.828 -6.976 727 HG2 GLU 82 2HG GLU 82 7.790 -3.997 -6.435 728 HG3 GLU 82 1HG GLU 82 7.481 -5.400 -5.412 729 H GLU 83 H GLU 83 5.129 -1.322 -6.074 730 HA GLU 83 HA GLU 83 7.718 -0.246 -6.256 731 HB2 GLU 83 2HB GLU 83 4.988 1.096 -6.389 732 HB3 GLU 83 1HB GLU 83 6.491 1.955 -6.726 733 HG2 GLU 83 2HG GLU 83 6.951 0.398 -8.604 734 HG3 GLU 83 1HG GLU 83 5.448 -0.453 -8.249 735 H MET 84 H MET 84 5.075 0.578 -3.984 736 HA MET 84 HA MET 84 6.490 2.261 -2.292 737 HB2 MET 84 2HB MET 84 4.159 0.393 -1.665 738 HB3 MET 84 1HB MET 84 4.756 1.618 -0.551 739 HG2 MET 84 2HG MET 84 4.228 3.362 -2.259 740 HG3 MET 84 1HG MET 84 3.520 2.105 -3.272 741 HE1 MET 84 3HE MET 84 1.280 0.667 -2.488 742 HE2 MET 84 1HE MET 84 0.446 0.983 -0.967 743 HE3 MET 84 2HE MET 84 2.050 0.254 -0.954 744 H GLY 85 H GLY 85 6.228 -1.278 -2.245 745 HA2 GLY 85 2HA GLY 85 7.542 -1.805 0.188 746 HA3 GLY 85 1HA GLY 85 7.365 -2.925 -1.148 747 H LYS 86 H LYS 86 8.843 -0.865 -2.853 748 HA LYS 86 HA LYS 86 11.588 -1.658 -2.169 749 HB2 LYS 86 2HB LYS 86 10.504 -0.194 -4.617 750 HB3 LYS 86 1HB LYS 86 12.155 -0.782 -4.414 751 HG2 LYS 86 2HG LYS 86 11.352 -3.104 -4.373 752 HG3 LYS 86 1HG LYS 86 9.685 -2.545 -4.516 753 HD2 LYS 86 2HD LYS 86 11.879 -2.197 -6.599 754 HD3 LYS 86 1HD LYS 86 10.522 -3.318 -6.695 755 HE2 LYS 86 2HE LYS 86 8.949 -1.429 -6.770 756 HE3 LYS 86 1HE LYS 86 10.292 -0.288 -6.646 757 HZ1 LYS 86 3HZ LYS 86 11.136 -1.179 -8.777 758 HZ2 LYS 86 1HZ LYS 86 9.593 -0.506 -8.940 759 HZ3 LYS 86 2HZ LYS 86 9.787 -2.184 -8.891 760 H GLU 87 H GLU 87 9.495 1.171 -2.410 761 HA GLU 87 HA GLU 87 11.641 3.121 -2.207 762 HB2 GLU 87 2HB GLU 87 8.610 3.407 -2.379 763 HB3 GLU 87 1HB GLU 87 9.726 4.771 -2.329 764 HG2 GLU 87 2HG GLU 87 10.746 4.105 -4.433 765 HG3 GLU 87 1HG GLU 87 9.798 2.620 -4.468 766 H ILE 88 H ILE 88 10.113 1.251 0.068 767 HA ILE 88 HA ILE 88 9.967 3.017 2.288 768 HB ILE 88 HB ILE 88 10.476 0.010 2.156 769 HG12 ILE 88 2HG1 ILE 88 7.938 1.558 2.825 770 HG13 ILE 88 1HG1 ILE 88 8.281 0.793 1.285 771 HG21 ILE 88 1HG2 ILE 88 9.910 -0.114 4.549 772 HG22 ILE 88 2HG2 ILE 88 9.812 1.646 4.623 773 HG23 ILE 88 3HG2 ILE 88 11.357 0.862 4.292 774 HD11 ILE 88 3HD1 ILE 88 6.775 -0.523 2.624 775 HD12 ILE 88 1HD1 ILE 88 7.972 -0.640 3.908 776 HD13 ILE 88 2HD1 ILE 88 8.281 -1.385 2.336 777 H ARG 89 H ARG 89 12.639 1.230 0.768 778 HA ARG 89 HA ARG 89 14.535 1.490 2.829 779 HB2 ARG 89 2HB ARG 89 14.785 -0.140 0.989 780 HB3 ARG 89 1HB ARG 89 15.080 1.170 -0.151 781 HG2 ARG 89 2HG ARG 89 17.111 1.796 1.193 782 HG3 ARG 89 1HG ARG 89 16.821 0.381 2.198 783 HD2 ARG 89 2HD ARG 89 17.129 -1.084 0.220 784 HD3 ARG 89 1HD ARG 89 17.434 0.346 -0.778 785 HE ARG 89 HE ARG 89 19.178 0.337 1.438 786 HH11 ARG 89 1HH1 ARG 89 18.768 -1.357 -1.648 787 HH12 ARG 89 2HH1 ARG 89 20.458 -1.743 -1.770 788 HH21 ARG 89 1HH2 ARG 89 21.368 -0.234 1.263 789 HH22 ARG 89 2HH2 ARG 89 21.914 -1.112 -0.134 790 HA PRO 90 HA PRO 90 16.335 5.520 0.758 791 HB2 PRO 90 2HB PRO 90 14.718 6.942 -0.979 792 HB3 PRO 90 1HB PRO 90 15.908 5.735 -1.506 793 HG2 PRO 90 2HG PRO 90 12.950 5.397 -1.123 794 HG3 PRO 90 1HG PRO 90 13.981 4.842 -2.463 795 HD2 PRO 90 2HD PRO 90 13.210 3.162 -0.502 796 HD3 PRO 90 1HD PRO 90 14.816 3.030 -1.249 797 H THR 91 H THR 91 12.762 5.527 1.190 798 HA THR 91 HA THR 91 12.375 7.930 2.556 799 HB THR 91 HB THR 91 11.020 5.223 2.908 800 HG1 THR 91 HG1 THR 91 9.936 5.842 1.216 801 HG21 THR 91 3HG2 THR 91 9.116 6.443 3.956 802 HG22 THR 91 1HG2 THR 91 10.097 7.903 4.011 803 HG23 THR 91 2HG2 THR 91 10.565 6.491 4.963 804 H TYR 92 H TYR 92 13.131 4.739 3.903 805 HA TYR 92 HA TYR 92 13.435 5.398 6.600 806 HB2 TYR 92 2HB TYR 92 13.201 3.069 5.701 807 HB3 TYR 92 1HB TYR 92 14.828 3.168 5.030 808 HD1 TYR 92 HD2 TYR 92 12.926 3.351 8.227 809 HD2 TYR 92 HD1 TYR 92 16.706 2.556 6.415 810 HE1 TYR 92 HE2 TYR 92 13.808 2.638 10.385 811 HE2 TYR 92 HE1 TYR 92 17.595 1.837 8.597 812 HH TYR 92 HH TYR 92 16.945 2.421 11.095 813 H ALA 93 H ALA 93 15.624 5.636 3.884 814 HA ALA 93 HA ALA 93 18.044 6.055 5.425 815 HB1 ALA 93 3HB ALA 93 18.051 4.902 3.252 816 HB2 ALA 93 1HB ALA 93 19.117 6.307 3.245 817 HB3 ALA 93 2HB ALA 93 17.539 6.389 2.452 818 H GLY 94 H GLY 94 15.512 8.087 5.097 819 HA2 GLY 94 2HA GLY 94 15.454 10.269 5.907 820 HA3 GLY 94 1HA GLY 94 17.168 10.455 5.589 821 H SER 95 H SER 95 15.833 9.192 2.810 822 HA SER 95 HA SER 95 15.886 11.634 1.368 823 HB2 SER 95 2HB SER 95 14.681 8.979 0.501 824 HB3 SER 95 1HB SER 95 15.190 10.296 -0.554 825 HG SER 95 HG SER 95 17.335 9.940 0.530 826 H LYS 96 H LYS 96 14.416 13.162 2.004 827 HA LYS 96 HA LYS 96 11.706 12.831 2.645 828 HB2 LYS 96 2HB LYS 96 11.536 15.297 2.303 829 HB3 LYS 96 1HB LYS 96 12.916 14.824 3.286 830 HG2 LYS 96 2HG LYS 96 14.413 15.097 1.342 831 HG3 LYS 96 1HG LYS 96 13.046 15.584 0.347 832 HD2 LYS 96 2HD LYS 96 14.075 17.081 2.796 833 HD3 LYS 96 1HD LYS 96 14.378 17.524 1.116 834 HE2 LYS 96 2HE LYS 96 11.906 17.792 0.802 835 HE3 LYS 96 1HE LYS 96 11.700 17.505 2.533 836 HZ1 LYS 96 3HZ LYS 96 13.301 19.718 1.344 837 HZ2 LYS 96 1HZ LYS 96 13.046 19.452 2.991 838 HZ3 LYS 96 2HZ LYS 96 11.751 19.875 1.998 839 H SER 97 H SER 97 13.248 13.293 -0.496 840 HA SER 97 HA SER 97 10.885 13.876 -1.986 841 HB2 SER 97 2HB SER 97 13.515 12.706 -2.997 842 HB3 SER 97 1HB SER 97 12.259 13.450 -3.992 843 HG SER 97 HG SER 97 13.088 15.041 -1.919 844 H ALA 98 H ALA 98 12.619 10.840 -1.269 845 HA ALA 98 HA ALA 98 10.855 9.108 -2.694 846 HB1 ALA 98 3HB ALA 98 13.161 8.487 -2.111 847 HB2 ALA 98 1HB ALA 98 12.006 7.312 -1.472 848 HB3 ALA 98 2HB ALA 98 12.747 8.501 -0.397 849 H MET 99 H MET 99 10.911 10.397 0.596 850 HA MET 99 HA MET 99 9.021 8.638 1.780 851 HB2 MET 99 2HB MET 99 10.573 9.863 3.173 852 HB3 MET 99 1HB MET 99 9.992 11.409 2.583 853 HG2 MET 99 2HG MET 99 8.221 9.529 4.171 854 HG3 MET 99 1HG MET 99 9.280 10.706 4.940 855 HE1 MET 99 3HE MET 99 7.777 14.077 3.519 856 HE2 MET 99 1HE MET 99 8.994 13.110 2.693 857 HE3 MET 99 2HE MET 99 9.098 13.354 4.439 858 H GLU 100 H GLU 100 8.688 11.956 0.489 859 HA GLU 100 HA GLU 100 5.890 12.185 0.887 860 HB2 GLU 100 2HB GLU 100 5.989 14.106 -0.646 861 HB3 GLU 100 1HB GLU 100 7.326 14.160 0.496 862 HG2 GLU 100 2HG GLU 100 8.897 13.472 -1.165 863 HG3 GLU 100 1HG GLU 100 7.619 13.041 -2.290 864 H ARG 101 H ARG 101 7.832 10.807 -1.684 865 HA ARG 101 HA ARG 101 5.759 10.337 -3.609 866 HB2 ARG 101 2HB ARG 101 8.116 10.597 -4.230 867 HB3 ARG 101 1HB ARG 101 8.583 9.267 -3.186 868 HG2 ARG 101 2HG ARG 101 8.703 8.699 -5.562 869 HG3 ARG 101 1HG ARG 101 7.580 7.661 -4.692 870 HD2 ARG 101 2HD ARG 101 6.471 10.062 -6.110 871 HD3 ARG 101 1HD ARG 101 7.003 8.686 -7.082 872 HE ARG 101 HE ARG 101 5.466 7.597 -5.103 873 HH11 ARG 101 1HH1 ARG 101 4.879 9.934 -7.695 874 HH12 ARG 101 2HH1 ARG 101 3.204 9.512 -7.836 875 HH21 ARG 101 1HH2 ARG 101 3.303 7.076 -5.305 876 HH22 ARG 101 2HH2 ARG 101 2.320 7.885 -6.478 877 H LEU 102 H LEU 102 7.128 8.584 -0.855 878 HA LEU 102 HA LEU 102 5.929 6.054 -1.370 879 HB2 LEU 102 2HB LEU 102 7.898 6.464 0.198 880 HB3 LEU 102 1HB LEU 102 6.772 7.169 1.345 881 HG LEU 102 HG LEU 102 5.604 4.974 1.546 882 HD11 LEU 102 1HD1 LEU 102 6.585 2.952 0.577 883 HD12 LEU 102 2HD1 LEU 102 7.745 3.937 -0.317 884 HD13 LEU 102 3HD1 LEU 102 6.017 4.068 -0.663 885 HD21 LEU 102 3HD2 LEU 102 8.590 4.750 2.019 886 HD22 LEU 102 1HD2 LEU 102 7.336 3.765 2.779 887 HD23 LEU 102 2HD2 LEU 102 7.422 5.492 3.115 888 H LYS 103 H LYS 103 4.973 8.901 0.546 889 HA LYS 103 HA LYS 103 2.470 7.872 1.493 890 HB2 LYS 103 2HB LYS 103 3.380 10.760 1.181 891 HB3 LYS 103 1HB LYS 103 2.001 10.222 2.132 892 HG2 LYS 103 2HG LYS 103 3.575 8.954 3.610 893 HG3 LYS 103 1HG LYS 103 4.925 9.624 2.692 894 HD2 LYS 103 2HD LYS 103 2.889 11.204 4.313 895 HD3 LYS 103 1HD LYS 103 4.575 10.921 4.746 896 HE2 LYS 103 2HE LYS 103 5.298 12.223 2.764 897 HE3 LYS 103 1HE LYS 103 3.606 12.500 2.341 898 HZ1 LYS 103 3HZ LYS 103 4.856 13.383 4.883 899 HZ2 LYS 103 1HZ LYS 103 3.297 13.730 4.359 900 HZ3 LYS 103 2HZ LYS 103 4.624 14.378 3.546 901 H ARG 104 H ARG 104 3.462 9.706 -1.355 902 HA ARG 104 HA ARG 104 0.898 10.383 -2.366 903 HB2 ARG 104 2HB ARG 104 3.084 11.443 -3.051 904 HB3 ARG 104 1HB ARG 104 3.494 9.975 -3.925 905 HG2 ARG 104 2HG ARG 104 1.620 10.337 -5.459 906 HG3 ARG 104 1HG ARG 104 1.110 11.751 -4.538 907 HD2 ARG 104 2HD ARG 104 3.229 12.897 -5.125 908 HD3 ARG 104 1HD ARG 104 3.739 11.475 -6.046 909 HE ARG 104 HE ARG 104 1.203 12.472 -6.919 910 HH11 ARG 104 1HH1 ARG 104 4.660 13.075 -7.259 911 HH12 ARG 104 2HH1 ARG 104 4.494 13.852 -8.801 912 HH21 ARG 104 1HH2 ARG 104 0.993 13.516 -8.918 913 HH22 ARG 104 2HH2 ARG 104 2.403 14.104 -9.744 914 H GLY 105 H GLY 105 2.872 7.511 -2.483 915 HA2 GLY 105 2HA GLY 105 1.496 5.989 -4.418 916 HA3 GLY 105 1HA GLY 105 2.453 5.359 -3.085 917 H ILE 106 H ILE 106 0.935 6.508 -0.958 918 HA ILE 106 HA ILE 106 -1.177 4.615 -0.677 919 HB ILE 106 HB ILE 106 -0.155 6.897 1.032 920 HG12 ILE 106 2HG1 ILE 106 0.173 5.060 2.695 921 HG13 ILE 106 1HG1 ILE 106 -0.493 3.916 1.547 922 HG21 ILE 106 1HG2 ILE 106 -2.693 5.375 1.706 923 HG22 ILE 106 2HG2 ILE 106 -2.579 7.098 1.349 924 HG23 ILE 106 3HG2 ILE 106 -1.820 6.448 2.802 925 HD11 ILE 106 3HD1 ILE 106 1.395 4.326 0.063 926 HD12 ILE 106 1HD1 ILE 106 1.921 3.801 1.662 927 HD13 ILE 106 2HD1 ILE 106 2.037 5.501 1.210 928 H ILE 107 H ILE 107 -1.118 8.073 -1.457 929 HA ILE 107 HA ILE 107 -3.879 8.620 -1.463 930 HB ILE 107 HB ILE 107 -1.709 9.795 -3.264 931 HG12 ILE 107 2HG1 ILE 107 -2.814 10.840 -0.615 932 HG13 ILE 107 1HG1 ILE 107 -1.262 10.040 -0.816 933 HG21 ILE 107 1HG2 ILE 107 -4.471 10.900 -2.643 934 HG22 ILE 107 2HG2 ILE 107 -3.931 10.252 -4.195 935 HG23 ILE 107 3HG2 ILE 107 -3.213 11.737 -3.561 936 HD11 ILE 107 3HD1 ILE 107 -0.487 11.876 -2.224 937 HD12 ILE 107 1HD1 ILE 107 -0.997 12.433 -0.633 938 HD13 ILE 107 2HD1 ILE 107 -2.042 12.692 -2.030 939 H HIS 108 H HIS 108 -1.769 7.264 -3.970 940 HA HIS 108 HA HIS 108 -3.736 6.982 -6.027 941 HB2 HIS 108 2HB HIS 108 -1.250 7.093 -6.415 942 HB3 HIS 108 1HB HIS 108 -1.083 5.511 -5.672 943 HD1 HIS 108 HD1 HIS 108 0.082 5.096 -8.111 944 HD2 HIS 108 HD2 HIS 108 -4.049 5.500 -8.063 945 HE1 HIS 108 HE1 HIS 108 -0.712 4.117 -10.279 946 HE2 HIS 108 HE2 HIS 108 -3.213 4.102 -10.074 947 H ALA 109 H ALA 109 -2.329 4.741 -3.646 948 HA ALA 109 HA ALA 109 -3.468 2.363 -4.711 949 HB1 ALA 109 3HB ALA 109 -2.560 1.297 -2.682 950 HB2 ALA 109 1HB ALA 109 -2.268 2.888 -1.967 951 HB3 ALA 109 2HB ALA 109 -1.383 2.391 -3.406 952 H ARG 110 H ARG 110 -4.406 4.486 -2.024 953 HA ARG 110 HA ARG 110 -6.414 2.763 -0.933 954 HB2 ARG 110 2HB ARG 110 -5.118 4.602 0.296 955 HB3 ARG 110 1HB ARG 110 -6.167 5.772 -0.496 956 HG2 ARG 110 2HG ARG 110 -8.127 4.752 0.603 957 HG3 ARG 110 1HG ARG 110 -7.078 3.560 1.373 958 HD2 ARG 110 2HD ARG 110 -5.893 5.414 2.550 959 HD3 ARG 110 1HD ARG 110 -7.027 6.562 1.823 960 HE ARG 110 HE ARG 110 -8.195 4.382 3.370 961 HH11 ARG 110 1HH1 ARG 110 -7.141 7.742 3.379 962 HH12 ARG 110 2HH1 ARG 110 -8.093 8.159 4.768 963 HH21 ARG 110 1HH2 ARG 110 -9.414 4.926 5.193 964 HH22 ARG 110 2HH2 ARG 110 -9.381 6.560 5.799 965 H ALA 111 H ALA 111 -6.385 5.318 -3.338 966 HA ALA 111 HA ALA 111 -9.176 5.738 -3.621 967 HB1 ALA 111 3HB ALA 111 -8.600 6.710 -5.817 968 HB2 ALA 111 1HB ALA 111 -6.970 6.033 -5.700 969 HB3 ALA 111 2HB ALA 111 -7.494 7.282 -4.568 970 H LEU 112 H LEU 112 -6.869 3.530 -5.120 971 HA LEU 112 HA LEU 112 -8.570 2.336 -7.038 972 HB2 LEU 112 2HB LEU 112 -6.047 1.264 -5.718 973 HB3 LEU 112 1HB LEU 112 -6.816 0.519 -7.112 974 HG LEU 112 HG LEU 112 -5.654 3.335 -7.076 975 HD11 LEU 112 1HD1 LEU 112 -3.842 2.453 -8.464 976 HD12 LEU 112 2HD1 LEU 112 -4.497 0.819 -8.308 977 HD13 LEU 112 3HD1 LEU 112 -3.883 1.665 -6.886 978 HD21 LEU 112 3HD2 LEU 112 -5.965 3.281 -9.510 979 HD22 LEU 112 1HD2 LEU 112 -7.498 3.139 -8.655 980 HD23 LEU 112 2HD2 LEU 112 -6.762 1.709 -9.385 981 H VAL 113 H VAL 113 -7.960 1.548 -3.639 982 HA VAL 113 HA VAL 113 -9.470 -0.915 -3.692 983 HB VAL 113 HB VAL 113 -8.782 0.673 -1.177 984 HG11 VAL 113 1HG1 VAL 113 -9.316 -2.289 -1.623 985 HG12 VAL 113 2HG1 VAL 113 -10.394 -1.131 -0.839 986 HG13 VAL 113 3HG1 VAL 113 -8.857 -1.555 -0.086 987 HG21 VAL 113 3HG2 VAL 113 -6.710 0.367 -2.458 988 HG22 VAL 113 1HG2 VAL 113 -7.007 -1.368 -2.553 989 HG23 VAL 113 2HG2 VAL 113 -6.694 -0.609 -0.988 990 H ARG 114 H ARG 114 -10.066 2.445 -2.646 991 HA ARG 114 HA ARG 114 -12.512 2.013 -1.288 992 HB2 ARG 114 2HB ARG 114 -11.203 3.950 -0.759 993 HB3 ARG 114 1HB ARG 114 -11.193 4.495 -2.431 994 HG2 ARG 114 2HG ARG 114 -13.472 5.199 -2.329 995 HG3 ARG 114 1HG ARG 114 -13.746 4.361 -0.803 996 HD2 ARG 114 2HD ARG 114 -11.831 6.690 -1.124 997 HD3 ARG 114 1HD ARG 114 -13.514 6.862 -0.607 998 HE ARG 114 HE ARG 114 -12.768 5.175 1.215 999 HH11 ARG 114 1HH1 ARG 114 -10.755 7.800 -0.031 1000 HH12 ARG 114 2HH1 ARG 114 -9.874 7.976 1.456 1001 HH21 ARG 114 1HH2 ARG 114 -11.689 5.484 3.165 1002 HH22 ARG 114 2HH2 ARG 114 -10.413 6.656 3.273 1003 H GLU 115 H GLU 115 -11.904 3.280 -4.587 1004 HA GLU 115 HA GLU 115 -14.593 3.597 -5.345 1005 HB2 GLU 115 2HB GLU 115 -12.305 2.889 -7.216 1006 HB3 GLU 115 1HB GLU 115 -13.827 3.641 -7.670 1007 HG2 GLU 115 2HG GLU 115 -11.546 4.852 -6.110 1008 HG3 GLU 115 1HG GLU 115 -12.181 5.360 -7.666 1009 H CYS 116 H CYS 116 -12.507 0.771 -5.385 1010 HA CYS 116 HA CYS 116 -14.422 -0.930 -6.728 1011 HB2 CYS 116 2HB CYS 116 -11.844 -1.623 -5.286 1012 HB3 CYS 116 1HB CYS 116 -12.807 -2.763 -6.216 1013 HG CYS 116 HG CYS 116 -10.299 -1.240 -7.276 1014 H LEU 117 H LEU 117 -13.819 -0.006 -3.401 1015 HA LEU 117 HA LEU 117 -15.187 -2.190 -2.128 1016 HB2 LEU 117 2HB LEU 117 -14.563 0.649 -1.228 1017 HB3 LEU 117 1HB LEU 117 -15.502 -0.439 -0.219 1018 HG LEU 117 HG LEU 117 -12.644 -0.989 -1.115 1019 HD11 LEU 117 1HD1 LEU 117 -13.671 0.008 1.561 1020 HD12 LEU 117 2HD1 LEU 117 -12.759 0.950 0.379 1021 HD13 LEU 117 3HD1 LEU 117 -12.001 -0.424 1.175 1022 HD21 LEU 117 3HD2 LEU 117 -14.372 -2.406 0.943 1023 HD22 LEU 117 1HD2 LEU 117 -12.695 -2.779 0.536 1024 HD23 LEU 117 2HD2 LEU 117 -13.962 -3.024 -0.660 1025 H ALA 118 H ALA 118 -16.156 1.025 -3.246 1026 HA ALA 118 HA ALA 118 -18.815 1.096 -2.447 1027 HB1 ALA 118 3HB ALA 118 -17.613 3.043 -3.343 1028 HB2 ALA 118 1HB ALA 118 -19.127 2.780 -4.218 1029 HB3 ALA 118 2HB ALA 118 -17.591 2.304 -4.945 1030 H GLU 119 H GLU 119 -17.382 -0.327 -5.377 1031 HA GLU 119 HA GLU 119 -19.929 -1.122 -6.480 1032 HB2 GLU 119 2HB GLU 119 -18.749 -2.096 -8.327 1033 HB3 GLU 119 1HB GLU 119 -17.935 -0.588 -7.942 1034 HG2 GLU 119 2HG GLU 119 -16.167 -1.898 -6.773 1035 HG3 GLU 119 1HG GLU 119 -16.985 -3.377 -7.267 1036 H THR 120 H THR 120 -17.189 -2.931 -4.952 1037 HA THR 120 HA THR 120 -18.224 -5.508 -4.910 1038 HB THR 120 HB THR 120 -16.372 -4.232 -2.832 1039 HG1 THR 120 HG1 THR 120 -15.892 -4.378 -5.291 1040 HG21 THR 120 3HG2 THR 120 -16.687 -7.181 -3.533 1041 HG22 THR 120 1HG2 THR 120 -17.193 -6.431 -2.016 1042 HG23 THR 120 2HG2 THR 120 -15.480 -6.508 -2.436 1043 H GLU 121 H GLU 121 -19.093 -2.837 -2.862 1044 HA GLU 121 HA GLU 121 -20.306 -4.175 -0.683 1045 HB2 GLU 121 2HB GLU 121 -19.719 -1.774 -0.654 1046 HB3 GLU 121 1HB GLU 121 -20.925 -1.446 -1.892 1047 HG2 GLU 121 2HG GLU 121 -22.714 -2.077 -0.353 1048 HG3 GLU 121 1HG GLU 121 -21.534 -2.503 0.884 1049 H ARG 122 H ARG 122 -21.619 -2.884 -3.702 1050 HA ARG 122 HA ARG 122 -24.284 -4.020 -3.307 1051 HB2 ARG 122 2HB ARG 122 -23.059 -2.320 -5.527 1052 HB3 ARG 122 1HB ARG 122 -24.752 -2.811 -5.476 1053 HG2 ARG 122 2HG ARG 122 -25.185 -1.479 -3.523 1054 HG3 ARG 122 1HG ARG 122 -23.465 -1.202 -3.246 1055 HD2 ARG 122 2HD ARG 122 -24.940 -0.185 -5.701 1056 HD3 ARG 122 1HD ARG 122 -24.720 0.764 -4.227 1057 HE ARG 122 HE ARG 122 -22.277 0.512 -4.575 1058 HH11 ARG 122 1HH1 ARG 122 -24.392 0.195 -7.373 1059 HH12 ARG 122 2HH1 ARG 122 -23.162 0.660 -8.503 1060 HH21 ARG 122 1HH2 ARG 122 -20.686 1.130 -6.045 1061 HH22 ARG 122 2HH2 ARG 122 -21.050 1.192 -7.738 1062 H ASN 123 H ASN 123 -21.325 -4.829 -4.858 1063 HA ASN 123 HA ASN 123 -22.469 -6.770 -6.745 1064 HB2 ASN 123 2HB ASN 123 -20.703 -5.429 -7.688 1065 HB3 ASN 123 1HB ASN 123 -19.659 -5.673 -6.294 1066 HD21 ASN 123 1HD2 ASN 123 -18.363 -7.504 -6.226 1067 HD22 ASN 123 2HD2 ASN 123 -18.209 -8.599 -7.547 1068 H ALA 124 H ALA 124 -23.326 -8.152 -5.267 1069 HA ALA 124 HA ALA 124 -21.937 -9.294 -3.056 1070 HB1 ALA 124 3HB ALA 124 -24.363 -8.992 -3.039 1071 HB2 ALA 124 1HB ALA 124 -23.978 -10.705 -2.867 1072 HB3 ALA 124 2HB ALA 124 -24.542 -10.079 -4.417 1073 H ARG 125 H ARG 125 -20.007 -10.082 -4.063 1074 HA ARG 125 HA ARG 125 -20.274 -12.790 -5.245 1075 HB2 ARG 125 2HB ARG 125 -18.333 -10.591 -6.114 1076 HB3 ARG 125 1HB ARG 125 -18.140 -12.282 -6.564 1077 HG2 ARG 125 2HG ARG 125 -20.305 -12.224 -7.741 1078 HG3 ARG 125 1HG ARG 125 -20.509 -10.531 -7.289 1079 HD2 ARG 125 2HD ARG 125 -18.564 -9.905 -8.619 1080 HD3 ARG 125 1HD ARG 125 -18.250 -11.604 -9.013 1081 HE ARG 125 HE ARG 125 -20.840 -11.121 -9.815 1082 HH11 ARG 125 1HH1 ARG 125 -17.680 -9.768 -10.660 1083 HH12 ARG 125 2HH1 ARG 125 -18.176 -9.359 -12.276 1084 HH21 ARG 125 1HH2 ARG 125 -21.448 -10.585 -11.930 1085 HH22 ARG 125 2HH2 ARG 125 -20.297 -9.823 -12.984 1086 H THR 126 H THR 126 -19.991 -11.923 -2.533 1087 HA THR 126 HA THR 126 -17.357 -12.258 -1.522 1088 HB THR 126 HB THR 126 -19.998 -12.693 -0.042 1089 HG1 THR 126 HG1 THR 126 -18.546 -10.279 -0.511 1090 HG21 THR 126 3HG2 THR 126 -18.731 -11.939 1.932 1091 HG22 THR 126 1HG2 THR 126 -17.266 -11.792 0.958 1092 HG23 THR 126 2HG2 THR 126 -17.991 -13.380 1.235 Start of MODEL 20 1 H1 SER 58 1H SER 58 -26.068 -26.326 6.845 2 H2 SER 58 2H SER 58 -24.779 -27.246 7.425 3 H3 SER 58 3H SER 58 -24.794 -25.574 7.662 4 HA SER 58 HA SER 58 -26.693 -25.732 9.077 5 HB2 SER 58 2HB SER 58 -26.453 -28.730 8.584 6 HB3 SER 58 1HB SER 58 -27.569 -27.973 9.727 7 HG SER 58 HG SER 58 -28.738 -27.165 8.103 8 H HIS 59 H HIS 59 -23.560 -26.962 8.819 9 HA HIS 59 HA HIS 59 -23.042 -27.550 11.583 10 HB2 HIS 59 2HB HIS 59 -21.645 -28.501 9.746 11 HB3 HIS 59 1HB HIS 59 -21.126 -26.883 9.291 12 HD1 HIS 59 HD1 HIS 59 -20.421 -29.650 11.641 13 HD2 HIS 59 HD2 HIS 59 -19.255 -25.697 11.131 14 HE1 HIS 59 HE1 HIS 59 -18.355 -29.366 13.032 15 HE2 HIS 59 HE2 HIS 59 -17.560 -27.043 12.520 16 H MET 60 H MET 60 -23.830 -25.813 12.767 17 HA MET 60 HA MET 60 -23.966 -23.836 13.816 18 HB2 MET 60 2HB MET 60 -21.538 -24.231 14.259 19 HB3 MET 60 1HB MET 60 -21.126 -23.357 12.789 20 HG2 MET 60 2HG MET 60 -22.070 -21.296 13.739 21 HG3 MET 60 1HG MET 60 -22.532 -22.169 15.202 22 HE1 MET 60 3HE MET 60 -19.499 -19.915 16.395 23 HE2 MET 60 1HE MET 60 -21.214 -20.259 16.606 24 HE3 MET 60 2HE MET 60 -20.649 -19.453 15.139 25 H ALA 61 H ALA 61 -25.626 -23.080 12.516 26 HA ALA 61 HA ALA 61 -25.055 -21.274 10.250 27 HB1 ALA 61 3HB ALA 61 -27.686 -22.324 11.383 28 HB2 ALA 61 1HB ALA 61 -26.826 -22.956 9.972 29 HB3 ALA 61 2HB ALA 61 -27.511 -21.332 9.931 30 H MET 62 H MET 62 -25.701 -19.082 10.286 31 HA MET 62 HA MET 62 -26.914 -17.837 12.619 32 HB2 MET 62 2HB MET 62 -25.073 -16.352 13.173 33 HB3 MET 62 1HB MET 62 -24.473 -18.003 13.254 34 HG2 MET 62 2HG MET 62 -24.018 -16.106 10.935 35 HG3 MET 62 1HG MET 62 -22.868 -16.417 12.230 36 HE1 MET 62 3HE MET 62 -22.696 -19.401 12.787 37 HE2 MET 62 1HE MET 62 -21.276 -18.448 12.345 38 HE3 MET 62 2HE MET 62 -21.593 -19.983 11.539 39 H LYS 63 H LYS 63 -27.157 -15.416 12.269 40 HA LYS 63 HA LYS 63 -26.831 -14.442 9.535 41 HB2 LYS 63 2HB LYS 63 -29.250 -13.661 9.424 42 HB3 LYS 63 1HB LYS 63 -29.000 -15.391 9.239 43 HG2 LYS 63 2HG LYS 63 -29.723 -15.769 11.566 44 HG3 LYS 63 1HG LYS 63 -29.950 -14.035 11.793 45 HD2 LYS 63 2HD LYS 63 -31.487 -15.770 9.811 46 HD3 LYS 63 1HD LYS 63 -32.092 -15.222 11.375 47 HE2 LYS 63 2HE LYS 63 -31.919 -12.868 10.611 48 HE3 LYS 63 1HE LYS 63 -31.335 -13.428 9.041 49 HZ1 LYS 63 3HZ LYS 63 -33.997 -14.041 10.213 50 HZ2 LYS 63 1HZ LYS 63 -33.436 -14.587 8.719 51 HZ3 LYS 63 2HZ LYS 63 -33.693 -12.939 8.972 52 HA PRO 64 HA PRO 64 -25.917 -11.061 12.551 53 HB2 PRO 64 2HB PRO 64 -23.744 -10.057 11.248 54 HB3 PRO 64 1HB PRO 64 -23.632 -11.545 12.209 55 HG2 PRO 64 2HG PRO 64 -23.931 -11.257 9.232 56 HG3 PRO 64 1HG PRO 64 -22.820 -12.300 10.150 57 HD2 PRO 64 2HD PRO 64 -25.174 -13.220 9.098 58 HD3 PRO 64 1HD PRO 64 -24.453 -13.895 10.577 59 HA PRO 65 HA PRO 65 -28.221 -7.936 10.255 60 HB2 PRO 65 2HB PRO 65 -27.452 -5.620 11.574 61 HB3 PRO 65 1HB PRO 65 -28.595 -6.799 12.246 62 HG2 PRO 65 2HG PRO 65 -25.663 -6.496 12.815 63 HG3 PRO 65 1HG PRO 65 -27.002 -6.779 13.951 64 HD2 PRO 65 2HD PRO 65 -25.397 -8.799 13.137 65 HD3 PRO 65 1HD PRO 65 -27.127 -9.055 13.453 66 H GLY 66 H GLY 66 -27.876 -6.963 8.347 67 HA2 GLY 66 2HA GLY 66 -26.179 -5.168 7.339 68 HA3 GLY 66 1HA GLY 66 -25.154 -6.609 7.331 69 H ALA 67 H ALA 67 -26.799 -4.886 5.242 70 HA ALA 67 HA ALA 67 -28.629 -6.753 4.036 71 HB1 ALA 67 3HB ALA 67 -28.953 -4.318 3.874 72 HB2 ALA 67 1HB ALA 67 -28.851 -5.054 2.270 73 HB3 ALA 67 2HB ALA 67 -27.470 -4.171 2.932 74 H GLN 68 H GLN 68 -25.448 -5.446 3.129 75 HA GLN 68 HA GLN 68 -25.084 -7.408 0.951 76 HB2 GLN 68 2HB GLN 68 -23.349 -5.022 1.782 77 HB3 GLN 68 1HB GLN 68 -23.195 -5.968 0.301 78 HG2 GLN 68 2HG GLN 68 -25.273 -5.110 -0.559 79 HG3 GLN 68 1HG GLN 68 -25.656 -4.354 0.988 80 HE21 GLN 68 1HE2 GLN 68 -23.677 -4.101 -1.883 81 HE22 GLN 68 2HE2 GLN 68 -23.195 -2.463 -1.618 82 H GLY 69 H GLY 69 -22.489 -7.891 0.833 83 HA2 GLY 69 2HA GLY 69 -21.561 -9.171 3.272 84 HA3 GLY 69 1HA GLY 69 -20.724 -9.087 1.723 85 H SER 70 H SER 70 -19.338 -8.678 4.023 86 HA SER 70 HA SER 70 -18.967 -5.868 4.613 87 HB2 SER 70 2HB SER 70 -17.167 -6.696 6.118 88 HB3 SER 70 1HB SER 70 -18.665 -7.594 6.357 89 HG SER 70 HG SER 70 -16.644 -8.848 6.184 90 H GLN 71 H GLN 71 -17.742 -8.122 2.323 91 HA GLN 71 HA GLN 71 -16.018 -8.291 0.871 92 HB2 GLN 71 2HB GLN 71 -16.171 -5.247 1.060 93 HB3 GLN 71 1HB GLN 71 -15.067 -6.078 -0.029 94 HG2 GLN 71 2HG GLN 71 -16.925 -5.485 -1.359 95 HG3 GLN 71 1HG GLN 71 -17.099 -7.214 -1.058 96 HE21 GLN 71 1HE2 GLN 71 -19.323 -7.249 -1.376 97 HE22 GLN 71 2HE2 GLN 71 -20.452 -6.468 -0.324 98 H SER 72 H SER 72 -15.474 -8.426 3.718 99 HA SER 72 HA SER 72 -13.628 -6.897 4.876 100 HB2 SER 72 2HB SER 72 -14.814 -8.714 6.027 101 HB3 SER 72 1HB SER 72 -13.795 -9.906 5.217 102 HG SER 72 HG SER 72 -12.418 -7.915 6.575 103 H THR 73 H THR 73 -12.637 -9.772 2.965 104 HA THR 73 HA THR 73 -9.934 -9.659 3.205 105 HB THR 73 HB THR 73 -10.983 -11.467 2.019 106 HG1 THR 73 HG1 THR 73 -8.903 -10.096 0.896 107 HG21 THR 73 3HG2 THR 73 -12.833 -10.302 0.915 108 HG22 THR 73 1HG2 THR 73 -11.918 -11.255 -0.258 109 HG23 THR 73 2HG2 THR 73 -11.702 -9.506 -0.184 110 H TYR 74 H TYR 74 -11.837 -7.751 0.861 111 HA TYR 74 HA TYR 74 -9.510 -6.372 -0.176 112 HB2 TYR 74 2HB TYR 74 -11.385 -7.037 -1.674 113 HB3 TYR 74 1HB TYR 74 -12.473 -5.963 -0.792 114 HD1 TYR 74 HD1 TYR 74 -8.983 -5.596 -2.107 115 HD2 TYR 74 HD2 TYR 74 -12.968 -4.072 -2.174 116 HE1 TYR 74 HE1 TYR 74 -8.253 -3.769 -3.542 117 HE2 TYR 74 HE2 TYR 74 -12.227 -2.225 -3.633 118 HH TYR 74 HH TYR 74 -9.228 -2.236 -5.196 119 H THR 75 H THR 75 -11.986 -5.786 2.221 120 HA THR 75 HA THR 75 -11.727 -2.928 2.299 121 HB THR 75 HB THR 75 -12.968 -4.788 4.383 122 HG1 THR 75 HG1 THR 75 -14.656 -4.872 3.096 123 HG21 THR 75 3HG2 THR 75 -12.574 -2.456 5.212 124 HG22 THR 75 1HG2 THR 75 -14.294 -2.817 5.049 125 HG23 THR 75 2HG2 THR 75 -13.481 -1.828 3.834 126 H ASP 76 H ASP 76 -10.422 -5.630 4.189 127 HA ASP 76 HA ASP 76 -8.951 -4.330 6.138 128 HB2 ASP 76 2HB ASP 76 -8.196 -6.890 4.647 129 HB3 ASP 76 1HB ASP 76 -7.302 -6.286 6.041 130 H LEU 77 H LEU 77 -8.197 -4.839 2.725 131 HA LEU 77 HA LEU 77 -5.553 -3.953 2.637 132 HB2 LEU 77 2HB LEU 77 -6.630 -5.052 0.750 133 HB3 LEU 77 1HB LEU 77 -7.772 -3.730 0.578 134 HG LEU 77 HG LEU 77 -5.914 -2.214 -0.119 135 HD11 LEU 77 1HD1 LEU 77 -3.700 -3.106 -0.646 136 HD12 LEU 77 2HD1 LEU 77 -4.154 -4.672 0.036 137 HD13 LEU 77 3HD1 LEU 77 -4.061 -3.246 1.075 138 HD21 LEU 77 3HD2 LEU 77 -7.200 -3.374 -1.825 139 HD22 LEU 77 1HD2 LEU 77 -6.108 -4.758 -1.751 140 HD23 LEU 77 2HD2 LEU 77 -5.523 -3.194 -2.329 141 H LEU 78 H LEU 78 -8.599 -2.077 2.467 142 HA LEU 78 HA LEU 78 -7.561 0.491 2.042 143 HB2 LEU 78 2HB LEU 78 -10.004 -0.197 1.997 144 HB3 LEU 78 1HB LEU 78 -9.981 -0.222 3.747 145 HG LEU 78 HG LEU 78 -9.386 2.262 3.679 146 HD11 LEU 78 1HD1 LEU 78 -10.085 2.011 0.737 147 HD12 LEU 78 2HD1 LEU 78 -8.497 2.392 1.409 148 HD13 LEU 78 3HD1 LEU 78 -9.830 3.521 1.619 149 HD21 LEU 78 3HD2 LEU 78 -11.657 1.522 4.189 150 HD22 LEU 78 1HD2 LEU 78 -12.053 1.472 2.468 151 HD23 LEU 78 2HD2 LEU 78 -11.682 3.012 3.249 152 H SER 79 H SER 79 -8.050 -1.344 5.061 153 HA SER 79 HA SER 79 -7.094 0.627 6.868 154 HB2 SER 79 2HB SER 79 -7.194 -2.403 7.155 155 HB3 SER 79 1HB SER 79 -6.853 -1.274 8.471 156 HG SER 79 HG SER 79 -8.889 -0.851 8.626 157 H VAL 80 H VAL 80 -5.444 -2.030 5.117 158 HA VAL 80 HA VAL 80 -2.943 -1.943 6.373 159 HB VAL 80 HB VAL 80 -3.552 -2.625 3.433 160 HG11 VAL 80 1HG1 VAL 80 -1.414 -3.877 3.435 161 HG12 VAL 80 2HG1 VAL 80 -1.060 -3.285 5.059 162 HG13 VAL 80 3HG1 VAL 80 -1.154 -2.152 3.711 163 HG21 VAL 80 3HG2 VAL 80 -4.752 -4.090 5.022 164 HG22 VAL 80 1HG2 VAL 80 -3.234 -4.502 5.809 165 HG23 VAL 80 2HG2 VAL 80 -3.523 -4.986 4.135 166 H ILE 81 H ILE 81 -4.148 -0.210 3.510 167 HA ILE 81 HA ILE 81 -1.858 1.150 2.747 168 HB ILE 81 HB ILE 81 -4.745 2.094 2.414 169 HG12 ILE 81 2HG1 ILE 81 -4.522 -0.116 1.428 170 HG13 ILE 81 1HG1 ILE 81 -4.567 1.040 0.113 171 HG21 ILE 81 1HG2 ILE 81 -2.255 2.912 0.880 172 HG22 ILE 81 2HG2 ILE 81 -3.195 3.928 1.976 173 HG23 ILE 81 3HG2 ILE 81 -3.905 3.372 0.460 174 HD11 ILE 81 3HD1 ILE 81 -2.968 -0.688 -0.348 175 HD12 ILE 81 1HD1 ILE 81 -2.136 -0.403 1.177 176 HD13 ILE 81 2HD1 ILE 81 -2.100 0.825 -0.093 177 H GLU 82 H GLU 82 -4.437 2.271 4.971 178 HA GLU 82 HA GLU 82 -3.202 4.832 5.411 179 HB2 GLU 82 2HB GLU 82 -4.972 5.263 7.024 180 HB3 GLU 82 1HB GLU 82 -5.663 4.518 5.586 181 HG2 GLU 82 2HG GLU 82 -5.745 2.337 6.781 182 HG3 GLU 82 1HG GLU 82 -5.096 3.116 8.220 183 H GLU 83 H GLU 83 -3.062 1.717 7.084 184 HA GLU 83 HA GLU 83 -1.862 2.638 9.530 185 HB2 GLU 83 2HB GLU 83 -1.912 -0.130 8.243 186 HB3 GLU 83 1HB GLU 83 -1.206 0.190 9.829 187 HG2 GLU 83 2HG GLU 83 -3.402 0.979 10.642 188 HG3 GLU 83 1HG GLU 83 -4.104 0.649 9.066 189 H MET 84 H MET 84 -0.561 1.306 6.509 190 HA MET 84 HA MET 84 2.176 1.596 7.082 191 HB2 MET 84 2HB MET 84 0.639 1.633 4.438 192 HB3 MET 84 1HB MET 84 2.397 1.622 4.540 193 HG2 MET 84 2HG MET 84 2.273 -0.533 5.786 194 HG3 MET 84 1HG MET 84 0.527 -0.537 5.533 195 HE1 MET 84 3HE MET 84 0.542 0.780 2.454 196 HE2 MET 84 1HE MET 84 -0.553 -0.503 2.985 197 HE3 MET 84 2HE MET 84 0.436 -0.726 1.546 198 H GLY 85 H GLY 85 -0.274 3.769 5.798 199 HA2 GLY 85 2HA GLY 85 1.237 5.873 4.815 200 HA3 GLY 85 1HA GLY 85 -0.407 5.990 5.395 201 H LYS 86 H LYS 86 0.106 5.317 8.141 202 HA LYS 86 HA LYS 86 1.045 7.913 9.058 203 HB2 LYS 86 2HB LYS 86 0.302 7.156 11.302 204 HB3 LYS 86 1HB LYS 86 -0.965 7.018 10.089 205 HG2 LYS 86 2HG LYS 86 -0.512 4.590 9.905 206 HG3 LYS 86 1HG LYS 86 0.714 4.735 11.169 207 HD2 LYS 86 2HD LYS 86 -1.048 5.517 12.758 208 HD3 LYS 86 1HD LYS 86 -2.261 5.326 11.486 209 HE2 LYS 86 2HE LYS 86 -2.282 3.406 13.028 210 HE3 LYS 86 1HE LYS 86 -1.793 2.893 11.411 211 HZ1 LYS 86 3HZ LYS 86 -0.441 1.937 13.199 212 HZ2 LYS 86 1HZ LYS 86 0.083 3.473 13.646 213 HZ3 LYS 86 2HZ LYS 86 0.490 2.848 12.127 214 H GLU 87 H GLU 87 2.211 4.600 8.921 215 HA GLU 87 HA GLU 87 4.401 5.077 10.783 216 HB2 GLU 87 2HB GLU 87 3.589 2.562 9.268 217 HB3 GLU 87 1HB GLU 87 4.946 2.664 10.393 218 HG2 GLU 87 2HG GLU 87 3.339 3.361 12.196 219 HG3 GLU 87 1HG GLU 87 2.012 3.070 11.072 220 H ILE 88 H ILE 88 3.963 5.850 7.608 221 HA ILE 88 HA ILE 88 6.513 5.476 6.480 222 HB ILE 88 HB ILE 88 4.540 7.790 6.168 223 HG12 ILE 88 2HG1 ILE 88 5.050 5.353 4.401 224 HG13 ILE 88 1HG1 ILE 88 3.675 5.571 5.476 225 HG21 ILE 88 1HG2 ILE 88 6.961 7.187 4.429 226 HG22 ILE 88 2HG2 ILE 88 6.765 8.583 5.491 227 HG23 ILE 88 3HG2 ILE 88 5.724 8.396 4.081 228 HD11 ILE 88 3HD1 ILE 88 3.002 7.535 4.130 229 HD12 ILE 88 1HD1 ILE 88 2.987 6.009 3.257 230 HD13 ILE 88 2HD1 ILE 88 4.303 7.149 3.000 231 H ARG 89 H ARG 89 5.259 7.913 8.743 232 HA ARG 89 HA ARG 89 7.455 9.686 8.700 233 HB2 ARG 89 2HB ARG 89 5.454 9.319 10.967 234 HB3 ARG 89 1HB ARG 89 6.591 10.654 10.820 235 HG2 ARG 89 2HG ARG 89 5.481 11.311 8.683 236 HG3 ARG 89 1HG ARG 89 4.285 10.035 8.952 237 HD2 ARG 89 2HD ARG 89 3.439 12.231 9.692 238 HD3 ARG 89 1HD ARG 89 3.589 11.116 11.056 239 HE ARG 89 HE ARG 89 5.901 12.800 10.646 240 HH11 ARG 89 1HH1 ARG 89 2.773 12.635 12.276 241 HH12 ARG 89 2HH1 ARG 89 3.206 13.822 13.464 242 HH21 ARG 89 1HH2 ARG 89 6.452 14.329 12.207 243 HH22 ARG 89 2HH2 ARG 89 5.301 14.787 13.426 244 HA PRO 90 HA PRO 90 9.280 7.433 12.690 245 HB2 PRO 90 2HB PRO 90 8.418 4.791 13.121 246 HB3 PRO 90 1HB PRO 90 7.830 6.215 14.001 247 HG2 PRO 90 2HG PRO 90 6.585 4.790 11.688 248 HG3 PRO 90 1HG PRO 90 5.817 5.482 13.135 249 HD2 PRO 90 2HD PRO 90 5.740 6.756 10.767 250 HD3 PRO 90 1HD PRO 90 5.870 7.652 12.294 251 H THR 91 H THR 91 8.407 5.290 9.903 252 HA THR 91 HA THR 91 10.817 3.858 9.670 253 HB THR 91 HB THR 91 8.901 4.821 7.501 254 HG1 THR 91 HG1 THR 91 7.807 3.110 8.068 255 HG21 THR 91 3HG2 THR 91 11.070 4.316 6.423 256 HG22 THR 91 1HG2 THR 91 9.883 3.063 6.036 257 HG23 THR 91 2HG2 THR 91 11.127 2.757 7.247 258 H TYR 92 H TYR 92 9.870 6.925 8.201 259 HA TYR 92 HA TYR 92 12.270 7.630 6.947 260 HB2 TYR 92 2HB TYR 92 10.087 8.664 6.401 261 HB3 TYR 92 1HB TYR 92 10.009 9.405 7.999 262 HD1 TYR 92 HD2 TYR 92 12.401 9.211 5.113 263 HD2 TYR 92 HD1 TYR 92 10.582 11.701 8.055 264 HE1 TYR 92 HE2 TYR 92 13.636 11.121 4.256 265 HE2 TYR 92 HE1 TYR 92 11.836 13.629 7.183 266 HH TYR 92 HH TYR 92 13.826 13.380 4.315 267 H ALA 93 H ALA 93 11.264 7.860 10.281 268 HA ALA 93 HA ALA 93 13.460 9.632 11.081 269 HB1 ALA 93 3HB ALA 93 11.228 8.353 12.697 270 HB2 ALA 93 1HB ALA 93 11.208 9.978 12.007 271 HB3 ALA 93 2HB ALA 93 12.364 9.576 13.279 272 H GLY 94 H GLY 94 13.457 6.528 10.237 273 HA2 GLY 94 2HA GLY 94 15.263 5.098 10.385 274 HA3 GLY 94 1HA GLY 94 15.864 5.986 11.770 275 H SER 95 H SER 95 12.634 5.137 12.285 276 HA SER 95 HA SER 95 13.297 3.009 14.122 277 HB2 SER 95 2HB SER 95 10.568 4.087 13.289 278 HB3 SER 95 1HB SER 95 10.904 3.055 14.684 279 HG SER 95 HG SER 95 12.469 4.894 15.184 280 H LYS 96 H LYS 96 13.838 1.111 13.248 281 HA LYS 96 HA LYS 96 12.850 -0.044 10.868 282 HB2 LYS 96 2HB LYS 96 14.117 -2.022 11.437 283 HB3 LYS 96 1HB LYS 96 15.059 -0.593 11.838 284 HG2 LYS 96 2HG LYS 96 14.495 -0.886 14.228 285 HG3 LYS 96 1HG LYS 96 13.560 -2.333 13.823 286 HD2 LYS 96 2HD LYS 96 15.696 -3.321 12.838 287 HD3 LYS 96 1HD LYS 96 16.564 -1.930 13.502 288 HE2 LYS 96 2HE LYS 96 16.765 -3.829 15.015 289 HE3 LYS 96 1HE LYS 96 15.792 -2.571 15.781 290 HZ1 LYS 96 3HZ LYS 96 13.802 -3.792 15.198 291 HZ2 LYS 96 1HZ LYS 96 14.847 -4.779 16.084 292 HZ3 LYS 96 2HZ LYS 96 14.711 -4.981 14.415 293 H SER 97 H SER 97 11.503 -0.054 14.082 294 HA SER 97 HA SER 97 9.905 -2.345 14.026 295 HB2 SER 97 2HB SER 97 9.156 0.378 15.207 296 HB3 SER 97 1HB SER 97 8.388 -1.164 15.597 297 HG SER 97 HG SER 97 9.947 -0.587 17.146 298 H ALA 98 H ALA 98 9.114 0.975 12.975 299 HA ALA 98 HA ALA 98 6.587 0.440 11.821 300 HB1 ALA 98 3HB ALA 98 8.520 2.717 11.270 301 HB2 ALA 98 1HB ALA 98 7.271 2.686 12.510 302 HB3 ALA 98 2HB ALA 98 6.814 2.671 10.804 303 H MET 99 H MET 99 9.894 0.597 10.489 304 HA MET 99 HA MET 99 9.285 0.488 7.755 305 HB2 MET 99 2HB MET 99 11.449 1.229 8.641 306 HB3 MET 99 1HB MET 99 11.793 -0.378 9.262 307 HG2 MET 99 2HG MET 99 11.385 0.097 6.303 308 HG3 MET 99 1HG MET 99 12.946 0.368 7.070 309 HE1 MET 99 3HE MET 99 14.383 -1.536 8.216 310 HE2 MET 99 1HE MET 99 13.873 -3.221 8.332 311 HE3 MET 99 2HE MET 99 13.033 -1.982 9.262 312 H GLU 100 H GLU 100 9.830 -2.099 10.112 313 HA GLU 100 HA GLU 100 9.858 -4.285 8.256 314 HB2 GLU 100 2HB GLU 100 10.908 -4.396 10.510 315 HB3 GLU 100 1HB GLU 100 9.322 -4.276 11.269 316 HG2 GLU 100 2HG GLU 100 8.676 -6.431 10.232 317 HG3 GLU 100 1HG GLU 100 10.270 -6.551 9.483 318 H ARG 101 H ARG 101 7.427 -2.700 10.219 319 HA ARG 101 HA ARG 101 5.194 -4.420 9.590 320 HB2 ARG 101 2HB ARG 101 5.196 -1.520 10.526 321 HB3 ARG 101 1HB ARG 101 3.781 -2.571 10.488 322 HG2 ARG 101 2HG ARG 101 4.752 -4.001 12.212 323 HG3 ARG 101 1HG ARG 101 6.239 -3.048 12.207 324 HD2 ARG 101 2HD ARG 101 4.861 -1.044 12.883 325 HD3 ARG 101 1HD ARG 101 3.474 -2.122 13.050 326 HE ARG 101 HE ARG 101 5.327 -3.273 14.654 327 HH11 ARG 101 1HH1 ARG 101 4.063 0.001 14.436 328 HH12 ARG 101 2HH1 ARG 101 4.299 0.341 16.120 329 HH21 ARG 101 1HH2 ARG 101 5.625 -2.820 16.877 330 HH22 ARG 101 2HH2 ARG 101 5.184 -1.261 17.501 331 H LEU 102 H LEU 102 6.716 -1.687 8.102 332 HA LEU 102 HA LEU 102 4.572 -0.850 6.388 333 HB2 LEU 102 2HB LEU 102 6.328 0.654 7.294 334 HB3 LEU 102 1HB LEU 102 7.559 -0.228 6.410 335 HG LEU 102 HG LEU 102 6.587 0.595 4.266 336 HD11 LEU 102 1HD1 LEU 102 4.260 0.889 4.911 337 HD12 LEU 102 2HD1 LEU 102 4.923 2.384 4.256 338 HD13 LEU 102 3HD1 LEU 102 4.707 2.206 6.001 339 HD21 LEU 102 3HD2 LEU 102 7.231 2.798 6.241 340 HD22 LEU 102 1HD2 LEU 102 7.342 2.897 4.485 341 HD23 LEU 102 2HD2 LEU 102 8.410 1.814 5.368 342 H LYS 103 H LYS 103 7.679 -2.606 5.908 343 HA LYS 103 HA LYS 103 7.274 -3.330 3.215 344 HB2 LYS 103 2HB LYS 103 8.930 -4.757 5.339 345 HB3 LYS 103 1HB LYS 103 9.018 -5.066 3.603 346 HG2 LYS 103 2HG LYS 103 9.716 -2.681 3.261 347 HG3 LYS 103 1HG LYS 103 9.738 -2.484 5.015 348 HD2 LYS 103 2HD LYS 103 12.001 -2.894 4.288 349 HD3 LYS 103 1HD LYS 103 11.440 -4.328 5.148 350 HE2 LYS 103 2HE LYS 103 10.997 -5.442 2.976 351 HE3 LYS 103 1HE LYS 103 11.570 -4.007 2.126 352 HZ1 LYS 103 3HZ LYS 103 13.326 -5.568 2.209 353 HZ2 LYS 103 1HZ LYS 103 13.162 -5.804 3.871 354 HZ3 LYS 103 2HZ LYS 103 13.729 -4.328 3.277 355 H ARG 104 H ARG 104 6.559 -5.098 6.251 356 HA ARG 104 HA ARG 104 5.389 -7.373 5.071 357 HB2 ARG 104 2HB ARG 104 6.005 -7.317 7.472 358 HB3 ARG 104 1HB ARG 104 4.762 -6.109 7.775 359 HG2 ARG 104 2HG ARG 104 3.022 -7.761 7.078 360 HG3 ARG 104 1HG ARG 104 4.287 -8.969 6.863 361 HD2 ARG 104 2HD ARG 104 4.816 -8.827 9.276 362 HD3 ARG 104 1HD ARG 104 3.548 -7.610 9.466 363 HE ARG 104 HE ARG 104 1.934 -9.337 8.737 364 HH11 ARG 104 1HH1 ARG 104 5.006 -10.407 10.084 365 HH12 ARG 104 2HH1 ARG 104 4.392 -11.947 10.594 366 HH21 ARG 104 1HH2 ARG 104 1.139 -11.370 9.372 367 HH22 ARG 104 2HH2 ARG 104 2.187 -12.491 10.185 368 H GLY 105 H GLY 105 4.147 -4.180 5.842 369 HA2 GLY 105 2HA GLY 105 1.421 -4.499 5.405 370 HA3 GLY 105 1HA GLY 105 2.332 -3.022 5.134 371 H ILE 106 H ILE 106 4.004 -3.634 3.065 372 HA ILE 106 HA ILE 106 2.304 -3.648 0.802 373 HB ILE 106 HB ILE 106 5.287 -3.584 1.186 374 HG12 ILE 106 2HG1 ILE 106 5.018 -1.568 -0.374 375 HG13 ILE 106 1HG1 ILE 106 3.287 -1.831 -0.305 376 HG21 ILE 106 1HG2 ILE 106 5.754 -3.655 -1.251 377 HG22 ILE 106 2HG2 ILE 106 4.087 -4.145 -1.548 378 HG23 ILE 106 3HG2 ILE 106 5.165 -5.208 -0.644 379 HD11 ILE 106 3HD1 ILE 106 4.010 -0.038 1.146 380 HD12 ILE 106 1HD1 ILE 106 5.073 -1.144 2.011 381 HD13 ILE 106 2HD1 ILE 106 3.331 -1.366 2.083 382 H ILE 107 H ILE 107 4.149 -6.258 2.359 383 HA ILE 107 HA ILE 107 3.840 -8.231 0.325 384 HB ILE 107 HB ILE 107 4.213 -8.560 3.344 385 HG12 ILE 107 2HG1 ILE 107 6.260 -8.817 1.084 386 HG13 ILE 107 1HG1 ILE 107 6.069 -7.388 2.091 387 HG21 ILE 107 1HG2 ILE 107 4.465 -10.686 1.176 388 HG22 ILE 107 2HG2 ILE 107 3.225 -10.623 2.429 389 HG23 ILE 107 3HG2 ILE 107 4.910 -10.898 2.871 390 HD11 ILE 107 3HD1 ILE 107 6.918 -10.120 3.031 391 HD12 ILE 107 1HD1 ILE 107 6.685 -8.704 4.060 392 HD13 ILE 107 2HD1 ILE 107 7.942 -8.699 2.824 393 H HIS 108 H HIS 108 1.943 -7.406 3.179 394 HA HIS 108 HA HIS 108 -0.103 -9.370 2.943 395 HB2 HIS 108 2HB HIS 108 0.451 -8.223 5.101 396 HB3 HIS 108 1HB HIS 108 -0.128 -6.699 4.437 397 HD1 HIS 108 HD1 HIS 108 -2.074 -6.320 5.993 398 HD2 HIS 108 HD2 HIS 108 -2.162 -10.088 4.254 399 HE1 HIS 108 HE1 HIS 108 -4.291 -7.309 6.646 400 HE2 HIS 108 HE2 HIS 108 -4.376 -9.520 5.440 401 H ALA 109 H ALA 109 0.271 -6.039 1.848 402 HA ALA 109 HA ALA 109 -2.391 -5.621 0.935 403 HB1 ALA 109 3HB ALA 109 -1.455 -3.620 -0.155 404 HB2 ALA 109 1HB ALA 109 0.185 -4.195 0.183 405 HB3 ALA 109 2HB ALA 109 -0.897 -3.767 1.509 406 H ARG 110 H ARG 110 0.612 -6.628 -0.628 407 HA ARG 110 HA ARG 110 -0.308 -6.786 -3.319 408 HB2 ARG 110 2HB ARG 110 2.045 -6.566 -2.874 409 HB3 ARG 110 1HB ARG 110 2.073 -7.961 -1.816 410 HG2 ARG 110 2HG ARG 110 1.301 -8.566 -4.634 411 HG3 ARG 110 1HG ARG 110 2.939 -7.941 -4.439 412 HD2 ARG 110 2HD ARG 110 1.784 -10.350 -2.993 413 HD3 ARG 110 1HD ARG 110 2.884 -10.405 -4.377 414 HE ARG 110 HE ARG 110 4.241 -8.900 -2.560 415 HH11 ARG 110 1HH1 ARG 110 2.788 -12.100 -2.326 416 HH12 ARG 110 2HH1 ARG 110 3.942 -12.662 -1.159 417 HH21 ARG 110 1HH2 ARG 110 5.783 -9.679 -1.080 418 HH22 ARG 110 2HH2 ARG 110 5.640 -11.295 -0.450 419 H ALA 111 H ALA 111 -0.312 -8.974 -0.581 420 HA ALA 111 HA ALA 111 -1.098 -11.353 -1.922 421 HB1 ALA 111 3HB ALA 111 -0.077 -11.367 0.309 422 HB2 ALA 111 1HB ALA 111 -1.649 -12.168 0.333 423 HB3 ALA 111 2HB ALA 111 -1.481 -10.531 0.975 424 H LEU 112 H LEU 112 -2.880 -8.768 -0.225 425 HA LEU 112 HA LEU 112 -5.461 -9.963 -0.376 426 HB2 LEU 112 2HB LEU 112 -4.618 -7.081 0.147 427 HB3 LEU 112 1HB LEU 112 -6.296 -7.609 0.213 428 HG LEU 112 HG LEU 112 -4.060 -8.651 2.005 429 HD11 LEU 112 1HD1 LEU 112 -6.365 -6.793 2.671 430 HD12 LEU 112 2HD1 LEU 112 -4.660 -6.346 2.547 431 HD13 LEU 112 3HD1 LEU 112 -5.189 -7.446 3.818 432 HD21 LEU 112 3HD2 LEU 112 -5.737 -10.395 1.590 433 HD22 LEU 112 1HD2 LEU 112 -7.034 -9.295 2.075 434 HD23 LEU 112 2HD2 LEU 112 -5.827 -9.822 3.252 435 H VAL 113 H VAL 113 -3.864 -7.507 -2.412 436 HA VAL 113 HA VAL 113 -6.000 -7.043 -4.210 437 HB VAL 113 HB VAL 113 -3.003 -6.846 -4.834 438 HG11 VAL 113 1HG1 VAL 113 -3.703 -5.218 -6.587 439 HG12 VAL 113 2HG1 VAL 113 -5.393 -5.563 -6.220 440 HG13 VAL 113 3HG1 VAL 113 -4.361 -6.832 -6.881 441 HG21 VAL 113 3HG2 VAL 113 -3.158 -4.470 -4.247 442 HG22 VAL 113 1HG2 VAL 113 -3.640 -5.463 -2.871 443 HG23 VAL 113 2HG2 VAL 113 -4.867 -4.658 -3.845 444 H ARG 114 H ARG 114 -3.386 -9.439 -4.150 445 HA ARG 114 HA ARG 114 -3.864 -10.553 -6.716 446 HB2 ARG 114 2HB ARG 114 -1.689 -10.787 -5.591 447 HB3 ARG 114 1HB ARG 114 -2.424 -11.738 -4.311 448 HG2 ARG 114 2HG ARG 114 -1.251 -13.223 -5.839 449 HG3 ARG 114 1HG ARG 114 -2.986 -13.511 -5.983 450 HD2 ARG 114 2HD ARG 114 -2.951 -11.950 -8.012 451 HD3 ARG 114 1HD ARG 114 -1.188 -12.001 -7.908 452 HE ARG 114 HE ARG 114 -2.351 -14.619 -7.998 453 HH11 ARG 114 1HH1 ARG 114 -1.414 -11.907 -10.050 454 HH12 ARG 114 2HH1 ARG 114 -1.232 -12.896 -11.465 455 HH21 ARG 114 1HH2 ARG 114 -2.135 -15.884 -9.872 456 HH22 ARG 114 2HH2 ARG 114 -1.637 -15.141 -11.365 457 H GLU 115 H GLU 115 -5.052 -11.425 -3.469 458 HA GLU 115 HA GLU 115 -6.348 -13.844 -4.226 459 HB2 GLU 115 2HB GLU 115 -7.014 -11.966 -1.912 460 HB3 GLU 115 1HB GLU 115 -7.643 -13.599 -2.101 461 HG2 GLU 115 2HG GLU 115 -4.792 -12.771 -1.524 462 HG3 GLU 115 1HG GLU 115 -5.883 -13.683 -0.489 463 H CYS 116 H CYS 116 -7.306 -10.452 -4.278 464 HA CYS 116 HA CYS 116 -10.053 -10.983 -5.006 465 HB2 CYS 116 2HB CYS 116 -8.476 -8.383 -5.057 466 HB3 CYS 116 1HB CYS 116 -10.223 -8.527 -5.267 467 HG CYS 116 HG CYS 116 -8.504 -8.224 -2.534 468 H LEU 117 H LEU 117 -7.018 -10.507 -6.734 469 HA LEU 117 HA LEU 117 -8.004 -9.969 -9.317 470 HB2 LEU 117 2HB LEU 117 -5.483 -11.346 -8.360 471 HB3 LEU 117 1HB LEU 117 -5.843 -11.282 -10.075 472 HG LEU 117 HG LEU 117 -5.513 -8.825 -8.299 473 HD11 LEU 117 1HD1 LEU 117 -3.568 -10.030 -10.298 474 HD12 LEU 117 2HD1 LEU 117 -3.388 -10.025 -8.541 475 HD13 LEU 117 3HD1 LEU 117 -3.357 -8.505 -9.432 476 HD21 LEU 117 3HD2 LEU 117 -5.465 -7.570 -10.424 477 HD22 LEU 117 1HD2 LEU 117 -7.002 -8.406 -10.203 478 HD23 LEU 117 2HD2 LEU 117 -5.800 -9.055 -11.319 479 H ALA 118 H ALA 118 -7.727 -12.984 -7.523 480 HA ALA 118 HA ALA 118 -8.288 -14.886 -9.450 481 HB1 ALA 118 3HB ALA 118 -7.614 -15.425 -7.146 482 HB2 ALA 118 1HB ALA 118 -9.067 -16.317 -7.603 483 HB3 ALA 118 2HB ALA 118 -9.192 -14.904 -6.549 484 H GLU 119 H GLU 119 -10.642 -12.965 -7.551 485 HA GLU 119 HA GLU 119 -12.910 -14.061 -9.031 486 HB2 GLU 119 2HB GLU 119 -14.302 -12.619 -7.582 487 HB3 GLU 119 1HB GLU 119 -13.216 -13.643 -6.649 488 HG2 GLU 119 2HG GLU 119 -11.691 -11.735 -6.311 489 HG3 GLU 119 1HG GLU 119 -12.763 -10.709 -7.261 490 H THR 120 H THR 120 -10.785 -11.342 -9.284 491 HA THR 120 HA THR 120 -12.573 -9.513 -10.613 492 HB THR 120 HB THR 120 -9.527 -9.491 -10.359 493 HG1 THR 120 HG1 THR 120 -11.272 -9.009 -8.571 494 HG21 THR 120 3HG2 THR 120 -9.596 -7.122 -11.094 495 HG22 THR 120 1HG2 THR 120 -11.319 -7.274 -11.449 496 HG23 THR 120 2HG2 THR 120 -10.138 -8.195 -12.383 497 H GLU 121 H GLU 121 -10.298 -12.005 -11.641 498 HA GLU 121 HA GLU 121 -10.400 -11.398 -14.455 499 HB2 GLU 121 2HB GLU 121 -9.201 -13.532 -14.732 500 HB3 GLU 121 1HB GLU 121 -8.462 -12.529 -13.485 501 HG2 GLU 121 2HG GLU 121 -9.740 -13.895 -11.774 502 HG3 GLU 121 1HG GLU 121 -10.202 -14.971 -13.092 503 H ARG 122 H ARG 122 -12.339 -13.264 -12.250 504 HA ARG 122 HA ARG 122 -13.814 -14.778 -14.178 505 HB2 ARG 122 2HB ARG 122 -14.612 -13.969 -11.355 506 HB3 ARG 122 1HB ARG 122 -15.397 -15.215 -12.327 507 HG2 ARG 122 2HG ARG 122 -13.337 -16.546 -12.327 508 HG3 ARG 122 1HG ARG 122 -12.504 -15.295 -11.405 509 HD2 ARG 122 2HD ARG 122 -14.213 -15.670 -9.558 510 HD3 ARG 122 1HD ARG 122 -14.783 -17.074 -10.476 511 HE ARG 122 HE ARG 122 -12.259 -17.725 -10.319 512 HH11 ARG 122 1HH1 ARG 122 -14.159 -16.254 -7.750 513 HH12 ARG 122 2HH1 ARG 122 -13.215 -16.967 -6.482 514 HH21 ARG 122 1HH2 ARG 122 -11.001 -18.631 -8.654 515 HH22 ARG 122 2HH2 ARG 122 -11.424 -18.313 -6.997 516 H ASN 123 H ASN 123 -13.912 -11.457 -13.242 517 HA ASN 123 HA ASN 123 -16.493 -10.728 -14.173 518 HB2 ASN 123 2HB ASN 123 -15.086 -9.153 -12.878 519 HB3 ASN 123 1HB ASN 123 -13.894 -9.103 -14.174 520 HD21 ASN 123 1HD2 ASN 123 -14.370 -7.903 -16.054 521 HD22 ASN 123 2HD2 ASN 123 -15.701 -6.806 -16.154 522 H ALA 124 H ALA 124 -13.336 -11.121 -15.791 523 HA ALA 124 HA ALA 124 -14.192 -10.340 -18.406 524 HB1 ALA 124 3HB ALA 124 -11.814 -10.295 -17.783 525 HB2 ALA 124 1HB ALA 124 -12.069 -11.347 -19.178 526 HB3 ALA 124 2HB ALA 124 -11.816 -12.047 -17.575 527 H ARG 125 H ARG 125 -16.004 -11.462 -19.039 528 HA ARG 125 HA ARG 125 -15.793 -14.386 -19.488 529 HB2 ARG 125 2HB ARG 125 -18.205 -14.590 -18.832 530 HB3 ARG 125 1HB ARG 125 -17.155 -14.110 -17.506 531 HG2 ARG 125 2HG ARG 125 -17.897 -11.760 -17.767 532 HG3 ARG 125 1HG ARG 125 -18.975 -12.251 -19.076 533 HD2 ARG 125 2HD ARG 125 -20.238 -13.673 -17.505 534 HD3 ARG 125 1HD ARG 125 -19.140 -13.213 -16.197 535 HE ARG 125 HE ARG 125 -20.094 -10.835 -17.156 536 HH11 ARG 125 1HH1 ARG 125 -21.670 -13.713 -15.904 537 HH12 ARG 125 2HH1 ARG 125 -23.031 -12.840 -15.280 538 HH21 ARG 125 1HH2 ARG 125 -21.872 -9.698 -16.289 539 HH22 ARG 125 2HH2 ARG 125 -23.140 -10.580 -15.499 540 H THR 126 H THR 126 -15.835 -11.614 -21.056 541 HA THR 126 HA THR 126 -17.207 -12.704 -23.396 542 HB THR 126 HB THR 126 -19.008 -11.376 -22.590 543 HG1 THR 126 HG1 THR 126 -17.799 -9.484 -24.321 544 HG21 THR 126 3HG2 THR 126 -17.861 -10.055 -20.862 545 HG22 THR 126 1HG2 THR 126 -18.849 -9.015 -21.892 546 HG23 THR 126 2HG2 THR 126 -17.096 -9.059 -22.102 547 H1 SER 58 1H SER 58 5.765 -23.333 -5.813 548 H2 SER 58 2H SER 58 7.257 -24.076 -6.063 549 H3 SER 58 3H SER 58 6.242 -23.752 -7.372 550 HA SER 58 HA SER 58 7.498 -21.719 -5.630 551 HB2 SER 58 2HB SER 58 9.132 -22.930 -7.104 552 HB3 SER 58 1HB SER 58 8.166 -22.487 -8.511 553 HG SER 58 HG SER 58 9.919 -21.065 -8.180 554 H HIS 59 H HIS 59 7.080 -19.542 -6.310 555 HA HIS 59 HA HIS 59 5.454 -18.940 -8.584 556 HB2 HIS 59 2HB HIS 59 3.543 -17.892 -7.399 557 HB3 HIS 59 1HB HIS 59 3.637 -19.617 -7.072 558 HD1 HIS 59 HD1 HIS 59 3.590 -16.317 -5.427 559 HD2 HIS 59 HD2 HIS 59 4.407 -20.251 -4.366 560 HE1 HIS 59 HE1 HIS 59 3.476 -16.384 -2.919 561 HE2 HIS 59 HE2 HIS 59 4.040 -18.755 -2.302 562 H MET 60 H MET 60 6.391 -17.190 -9.357 563 HA MET 60 HA MET 60 6.942 -14.829 -7.760 564 HB2 MET 60 2HB MET 60 9.070 -16.105 -7.524 565 HB3 MET 60 1HB MET 60 9.188 -16.255 -9.270 566 HG2 MET 60 2HG MET 60 9.420 -13.791 -9.450 567 HG3 MET 60 1HG MET 60 9.348 -13.671 -7.690 568 HE1 MET 60 3HE MET 60 13.140 -12.897 -8.331 569 HE2 MET 60 1HE MET 60 11.695 -12.402 -7.449 570 HE3 MET 60 2HE MET 60 11.726 -12.320 -9.211 571 H ALA 61 H ALA 61 5.535 -13.712 -8.991 572 HA ALA 61 HA ALA 61 5.284 -13.856 -11.818 573 HB1 ALA 61 3HB ALA 61 4.358 -11.710 -9.868 574 HB2 ALA 61 1HB ALA 61 3.430 -13.123 -10.382 575 HB3 ALA 61 2HB ALA 61 3.834 -11.862 -11.547 576 H MET 62 H MET 62 7.351 -13.553 -12.687 577 HA MET 62 HA MET 62 8.806 -11.040 -12.480 578 HB2 MET 62 2HB MET 62 9.089 -13.290 -14.546 579 HB3 MET 62 1HB MET 62 10.241 -11.990 -14.254 580 HG2 MET 62 2HG MET 62 9.528 -14.170 -12.279 581 HG3 MET 62 1HG MET 62 10.986 -14.110 -13.271 582 HE1 MET 62 3HE MET 62 12.831 -10.973 -11.761 583 HE2 MET 62 1HE MET 62 11.803 -11.043 -13.190 584 HE3 MET 62 2HE MET 62 12.980 -12.323 -12.885 585 H LYS 63 H LYS 63 6.654 -12.707 -14.722 586 HA LYS 63 HA LYS 63 5.441 -10.241 -15.567 587 HB2 LYS 63 2HB LYS 63 5.663 -10.723 -18.019 588 HB3 LYS 63 1HB LYS 63 7.172 -10.270 -17.240 589 HG2 LYS 63 2HG LYS 63 7.875 -12.646 -17.211 590 HG3 LYS 63 1HG LYS 63 6.355 -13.095 -17.995 591 HD2 LYS 63 2HD LYS 63 6.991 -11.631 -19.947 592 HD3 LYS 63 1HD LYS 63 8.554 -11.344 -19.172 593 HE2 LYS 63 2HE LYS 63 7.481 -14.045 -20.055 594 HE3 LYS 63 1HE LYS 63 8.701 -13.095 -20.899 595 HZ1 LYS 63 3HZ LYS 63 8.972 -14.250 -18.188 596 HZ2 LYS 63 1HZ LYS 63 10.134 -13.314 -18.968 597 HZ3 LYS 63 2HZ LYS 63 9.711 -14.824 -19.590 598 HA PRO 64 HA PRO 64 2.516 -13.730 -14.890 599 HB2 PRO 64 2HB PRO 64 0.541 -12.331 -13.664 600 HB3 PRO 64 1HB PRO 64 2.056 -12.721 -12.822 601 HG2 PRO 64 2HG PRO 64 1.240 -10.147 -14.133 602 HG3 PRO 64 1HG PRO 64 2.034 -10.407 -12.564 603 HD2 PRO 64 2HD PRO 64 3.409 -9.709 -14.850 604 HD3 PRO 64 1HD PRO 64 4.130 -10.615 -13.502 605 HA PRO 65 HA PRO 65 -0.034 -12.648 -18.601 606 HB2 PRO 65 2HB PRO 65 -0.535 -15.186 -19.432 607 HB3 PRO 65 1HB PRO 65 1.059 -14.443 -19.690 608 HG2 PRO 65 2HG PRO 65 0.212 -16.363 -17.537 609 HG3 PRO 65 1HG PRO 65 1.682 -16.384 -18.539 610 HD2 PRO 65 2HD PRO 65 1.637 -15.375 -15.987 611 HD3 PRO 65 1HD PRO 65 2.753 -14.789 -17.240 612 H GLY 66 H GLY 66 -2.350 -12.899 -18.976 613 HA2 GLY 66 2HA GLY 66 -4.209 -14.535 -17.895 614 HA3 GLY 66 1HA GLY 66 -3.921 -13.410 -16.572 615 H ALA 67 H ALA 67 -6.237 -13.029 -16.908 616 HA ALA 67 HA ALA 67 -7.254 -11.716 -19.228 617 HB1 ALA 67 3HB ALA 67 -9.239 -11.265 -17.831 618 HB2 ALA 67 1HB ALA 67 -8.356 -11.786 -16.391 619 HB3 ALA 67 2HB ALA 67 -8.718 -12.945 -17.673 620 H GLN 68 H GLN 68 -7.268 -9.582 -19.739 621 HA GLN 68 HA GLN 68 -6.312 -7.537 -17.806 622 HB2 GLN 68 2HB GLN 68 -5.539 -7.773 -20.764 623 HB3 GLN 68 1HB GLN 68 -5.064 -6.462 -19.686 624 HG2 GLN 68 2HG GLN 68 -3.787 -8.086 -18.303 625 HG3 GLN 68 1HG GLN 68 -4.246 -9.369 -19.419 626 HE21 GLN 68 1HE2 GLN 68 -2.271 -6.534 -18.983 627 HE22 GLN 68 2HE2 GLN 68 -1.269 -6.771 -20.367 628 H GLY 69 H GLY 69 -6.749 -5.256 -18.982 629 HA2 GLY 69 2HA GLY 69 -8.302 -3.832 -20.009 630 HA3 GLY 69 1HA GLY 69 -9.444 -5.160 -20.172 631 H SER 70 H SER 70 -10.749 -5.706 -18.414 632 HA SER 70 HA SER 70 -11.396 -3.621 -16.568 633 HB2 SER 70 2HB SER 70 -13.078 -5.279 -15.714 634 HB3 SER 70 1HB SER 70 -13.151 -5.053 -17.460 635 HG SER 70 HG SER 70 -11.895 -7.013 -17.640 636 H GLN 71 H GLN 71 -9.357 -6.406 -16.491 637 HA GLN 71 HA GLN 71 -9.066 -6.549 -13.611 638 HB2 GLN 71 2HB GLN 71 -7.503 -7.944 -15.839 639 HB3 GLN 71 1HB GLN 71 -7.266 -8.226 -14.117 640 HG2 GLN 71 2HG GLN 71 -8.601 -10.015 -14.989 641 HG3 GLN 71 1HG GLN 71 -9.620 -9.016 -13.951 642 HE21 GLN 71 1HE2 GLN 71 -11.569 -9.549 -14.902 643 HE22 GLN 71 2HE2 GLN 71 -11.995 -9.124 -16.512 644 H SER 72 H SER 72 -7.152 -5.421 -16.403 645 HA SER 72 HA SER 72 -4.825 -4.567 -15.194 646 HB2 SER 72 2HB SER 72 -6.288 -3.227 -17.506 647 HB3 SER 72 1HB SER 72 -4.573 -3.043 -17.124 648 HG SER 72 HG SER 72 -4.208 -4.829 -18.134 649 H THR 73 H THR 73 -7.888 -2.871 -15.423 650 HA THR 73 HA THR 73 -7.382 -0.414 -14.268 651 HB THR 73 HB THR 73 -9.844 -2.131 -13.680 652 HG1 THR 73 HG1 THR 73 -9.093 -0.674 -16.000 653 HG21 THR 73 3HG2 THR 73 -9.772 0.027 -12.454 654 HG22 THR 73 1HG2 THR 73 -11.051 0.009 -13.676 655 HG23 THR 73 2HG2 THR 73 -9.548 0.881 -13.982 656 H TYR 74 H TYR 74 -8.106 -3.488 -12.637 657 HA TYR 74 HA TYR 74 -7.758 -2.448 -9.961 658 HB2 TYR 74 2HB TYR 74 -9.461 -4.173 -10.507 659 HB3 TYR 74 1HB TYR 74 -8.188 -5.295 -10.978 660 HD1 TYR 74 HD1 TYR 74 -9.125 -3.134 -8.053 661 HD2 TYR 74 HD2 TYR 74 -7.575 -6.883 -9.358 662 HE1 TYR 74 HE1 TYR 74 -8.938 -3.868 -5.733 663 HE2 TYR 74 HE2 TYR 74 -7.388 -7.624 -7.029 664 HH TYR 74 HH TYR 74 -8.868 -6.105 -4.492 665 H THR 75 H THR 75 -5.770 -4.021 -12.340 666 HA THR 75 HA THR 75 -3.715 -5.043 -10.614 667 HB THR 75 HB THR 75 -3.583 -4.445 -13.614 668 HG1 THR 75 HG1 THR 75 -5.169 -6.085 -12.541 669 HG21 THR 75 3HG2 THR 75 -1.318 -4.795 -12.605 670 HG22 THR 75 1HG2 THR 75 -1.764 -6.101 -13.705 671 HG23 THR 75 2HG2 THR 75 -1.859 -6.346 -11.959 672 H ASP 76 H ASP 76 -4.477 -1.900 -11.926 673 HA ASP 76 HA ASP 76 -2.033 -0.543 -11.743 674 HB2 ASP 76 2HB ASP 76 -4.053 0.523 -12.686 675 HB3 ASP 76 1HB ASP 76 -4.848 0.479 -11.114 676 H LEU 77 H LEU 77 -4.503 -1.244 -9.308 677 HA LEU 77 HA LEU 77 -3.420 0.033 -7.077 678 HB2 LEU 77 2HB LEU 77 -5.716 -0.761 -7.159 679 HB3 LEU 77 1HB LEU 77 -5.187 -2.429 -7.314 680 HG LEU 77 HG LEU 77 -4.347 -2.413 -4.991 681 HD11 LEU 77 1HD1 LEU 77 -4.738 -0.525 -3.475 682 HD12 LEU 77 2HD1 LEU 77 -5.320 0.455 -4.823 683 HD13 LEU 77 3HD1 LEU 77 -3.639 -0.083 -4.782 684 HD21 LEU 77 3HD2 LEU 77 -6.657 -3.076 -5.376 685 HD22 LEU 77 1HD2 LEU 77 -7.195 -1.399 -5.230 686 HD23 LEU 77 2HD2 LEU 77 -6.510 -2.236 -3.835 687 H LEU 78 H LEU 78 -2.998 -3.303 -8.236 688 HA LEU 78 HA LEU 78 -1.286 -4.316 -6.258 689 HB2 LEU 78 2HB LEU 78 -2.469 -5.618 -8.067 690 HB3 LEU 78 1HB LEU 78 -1.325 -4.976 -9.230 691 HG LEU 78 HG LEU 78 0.527 -6.152 -7.954 692 HD11 LEU 78 1HD1 LEU 78 -1.752 -7.483 -6.446 693 HD12 LEU 78 2HD1 LEU 78 -0.551 -6.380 -5.767 694 HD13 LEU 78 3HD1 LEU 78 -0.049 -7.952 -6.383 695 HD21 LEU 78 3HD2 LEU 78 -0.410 -7.097 -10.001 696 HD22 LEU 78 1HD2 LEU 78 -1.668 -7.916 -9.071 697 HD23 LEU 78 2HD2 LEU 78 0.025 -8.371 -8.865 698 H SER 79 H SER 79 -0.640 -2.428 -9.182 699 HA SER 79 HA SER 79 2.207 -2.611 -9.130 700 HB2 SER 79 2HB SER 79 0.484 -0.511 -10.509 701 HB3 SER 79 1HB SER 79 2.165 -0.921 -10.885 702 HG SER 79 HG SER 79 0.187 -2.909 -10.914 703 H VAL 80 H VAL 80 -0.132 -0.352 -7.736 704 HA VAL 80 HA VAL 80 1.739 1.630 -6.906 705 HB VAL 80 HB VAL 80 -0.930 0.983 -5.546 706 HG11 VAL 80 1HG1 VAL 80 0.714 3.550 -5.582 707 HG12 VAL 80 2HG1 VAL 80 0.523 2.457 -4.206 708 HG13 VAL 80 3HG1 VAL 80 -0.869 3.350 -4.824 709 HG21 VAL 80 3HG2 VAL 80 -0.388 2.863 -7.872 710 HG22 VAL 80 1HG2 VAL 80 -1.916 2.740 -6.993 711 HG23 VAL 80 2HG2 VAL 80 -1.319 1.369 -7.925 712 H ILE 81 H ILE 81 0.400 -1.291 -5.381 713 HA ILE 81 HA ILE 81 1.440 -1.118 -2.834 714 HB ILE 81 HB ILE 81 1.162 -3.703 -4.428 715 HG12 ILE 81 2HG1 ILE 81 -0.992 -2.563 -4.471 716 HG13 ILE 81 1HG1 ILE 81 -1.112 -3.908 -3.356 717 HG21 ILE 81 1HG2 ILE 81 0.876 -4.773 -2.202 718 HG22 ILE 81 2HG2 ILE 81 1.237 -3.230 -1.429 719 HG23 ILE 81 3HG2 ILE 81 2.467 -4.036 -2.402 720 HD11 ILE 81 3HD1 ILE 81 -0.865 -0.984 -2.640 721 HD12 ILE 81 1HD1 ILE 81 -0.900 -2.310 -1.474 722 HD13 ILE 81 2HD1 ILE 81 -2.296 -2.004 -2.502 723 H GLU 82 H GLU 82 2.975 -2.797 -5.593 724 HA GLU 82 HA GLU 82 5.357 -3.517 -4.254 725 HB2 GLU 82 2HB GLU 82 6.242 -3.981 -6.554 726 HB3 GLU 82 1HB GLU 82 4.656 -4.695 -6.260 727 HG2 GLU 82 2HG GLU 82 3.584 -2.840 -7.480 728 HG3 GLU 82 1HG GLU 82 5.163 -2.118 -7.776 729 H GLU 83 H GLU 83 4.484 -0.641 -6.161 730 HA GLU 83 HA GLU 83 7.030 0.562 -6.362 731 HB2 GLU 83 2HB GLU 83 4.224 1.713 -6.385 732 HB3 GLU 83 1HB GLU 83 5.630 2.775 -6.454 733 HG2 GLU 83 2HG GLU 83 6.387 1.664 -8.516 734 HG3 GLU 83 1HG GLU 83 4.999 0.576 -8.451 735 H MET 84 H MET 84 4.440 1.064 -3.906 736 HA MET 84 HA MET 84 5.786 2.741 -2.164 737 HB2 MET 84 2HB MET 84 3.803 0.525 -1.455 738 HB3 MET 84 1HB MET 84 4.302 1.812 -0.361 739 HG2 MET 84 2HG MET 84 3.352 3.470 -1.941 740 HG3 MET 84 1HG MET 84 2.766 2.139 -2.935 741 HE1 MET 84 3HE MET 84 0.837 0.348 -1.987 742 HE2 MET 84 1HE MET 84 0.203 0.465 -0.347 743 HE3 MET 84 2HE MET 84 1.893 0.028 -0.608 744 H GLY 85 H GLY 85 5.889 -0.781 -2.433 745 HA2 GLY 85 2HA GLY 85 7.342 -1.486 -0.175 746 HA3 GLY 85 1HA GLY 85 7.281 -2.397 -1.662 747 H LYS 86 H LYS 86 8.531 -0.180 -3.223 748 HA LYS 86 HA LYS 86 11.322 -0.784 -2.473 749 HB2 LYS 86 2HB LYS 86 11.944 -0.168 -4.764 750 HB3 LYS 86 1HB LYS 86 10.683 -1.395 -4.770 751 HG2 LYS 86 2HG LYS 86 8.999 0.349 -5.260 752 HG3 LYS 86 1HG LYS 86 10.281 1.561 -5.284 753 HD2 LYS 86 2HD LYS 86 11.344 0.358 -7.199 754 HD3 LYS 86 1HD LYS 86 10.005 -0.796 -7.185 755 HE2 LYS 86 2HE LYS 86 9.634 0.864 -8.928 756 HE3 LYS 86 1HE LYS 86 8.426 1.080 -7.658 757 HZ1 LYS 86 3HZ LYS 86 10.899 2.696 -7.992 758 HZ2 LYS 86 1HZ LYS 86 9.740 2.909 -6.779 759 HZ3 LYS 86 2HZ LYS 86 9.330 3.184 -8.391 760 H GLU 87 H GLU 87 9.049 1.854 -2.465 761 HA GLU 87 HA GLU 87 11.059 3.944 -2.329 762 HB2 GLU 87 2HB GLU 87 8.182 4.238 -1.354 763 HB3 GLU 87 1HB GLU 87 9.285 5.504 -1.866 764 HG2 GLU 87 2HG GLU 87 7.855 3.497 -3.603 765 HG3 GLU 87 1HG GLU 87 7.567 5.222 -3.512 766 H ILE 88 H ILE 88 9.862 1.615 -0.155 767 HA ILE 88 HA ILE 88 9.848 2.933 2.343 768 HB ILE 88 HB ILE 88 10.427 0.004 1.683 769 HG12 ILE 88 2HG1 ILE 88 7.863 1.327 2.672 770 HG13 ILE 88 1HG1 ILE 88 8.181 0.856 1.011 771 HG21 ILE 88 1HG2 ILE 88 9.833 1.229 4.408 772 HG22 ILE 88 2HG2 ILE 88 11.349 0.477 3.908 773 HG23 ILE 88 3HG2 ILE 88 9.891 -0.500 4.068 774 HD11 ILE 88 3HD1 ILE 88 8.336 -1.483 1.717 775 HD12 ILE 88 1HD1 ILE 88 6.775 -0.753 2.072 776 HD13 ILE 88 2HD1 ILE 88 7.942 -0.990 3.368 777 H ARG 89 H ARG 89 12.460 1.271 0.582 778 HA ARG 89 HA ARG 89 14.333 1.221 2.686 779 HB2 ARG 89 2HB ARG 89 14.433 -0.308 0.774 780 HB3 ARG 89 1HB ARG 89 14.768 1.030 -0.316 781 HG2 ARG 89 2HG ARG 89 16.930 1.411 0.838 782 HG3 ARG 89 1HG ARG 89 16.589 0.043 1.901 783 HD2 ARG 89 2HD ARG 89 16.413 -1.386 -0.225 784 HD3 ARG 89 1HD ARG 89 17.096 0.000 -1.088 785 HE ARG 89 HE ARG 89 18.870 -0.369 0.924 786 HH11 ARG 89 1HH1 ARG 89 17.540 -2.595 -1.459 787 HH12 ARG 89 2HH1 ARG 89 18.953 -3.597 -1.485 788 HH21 ARG 89 1HH2 ARG 89 20.688 -1.724 0.923 789 HH22 ARG 89 2HH2 ARG 89 20.741 -3.103 -0.131 790 HA PRO 90 HA PRO 90 16.362 5.268 0.860 791 HB2 PRO 90 2HB PRO 90 14.862 6.838 -0.868 792 HB3 PRO 90 1HB PRO 90 16.041 5.625 -1.404 793 HG2 PRO 90 2HG PRO 90 13.058 5.382 -1.201 794 HG3 PRO 90 1HG PRO 90 14.151 4.820 -2.488 795 HD2 PRO 90 2HD PRO 90 13.174 3.140 -0.612 796 HD3 PRO 90 1HD PRO 90 14.797 2.931 -1.305 797 H THR 91 H THR 91 12.788 5.325 1.337 798 HA THR 91 HA THR 91 12.526 7.725 2.781 799 HB THR 91 HB THR 91 11.029 5.086 3.106 800 HG1 THR 91 HG1 THR 91 9.923 5.812 1.468 801 HG21 THR 91 3HG2 THR 91 9.236 6.377 4.246 802 HG22 THR 91 1HG2 THR 91 10.271 7.804 4.253 803 HG23 THR 91 2HG2 THR 91 10.726 6.379 5.192 804 H TYR 92 H TYR 92 13.216 4.464 3.985 805 HA TYR 92 HA TYR 92 13.599 5.054 6.703 806 HB2 TYR 92 2HB TYR 92 13.144 2.758 5.829 807 HB3 TYR 92 1HB TYR 92 14.735 2.721 5.076 808 HD1 TYR 92 HD2 TYR 92 13.104 3.168 8.434 809 HD2 TYR 92 HD1 TYR 92 16.537 1.766 6.314 810 HE1 TYR 92 HE2 TYR 92 14.026 2.280 10.513 811 HE2 TYR 92 HE1 TYR 92 17.462 0.868 8.402 812 HH TYR 92 HH TYR 92 17.238 1.279 10.822 813 H ALA 93 H ALA 93 15.722 5.310 3.926 814 HA ALA 93 HA ALA 93 18.173 5.605 5.452 815 HB1 ALA 93 3HB ALA 93 17.616 6.071 2.504 816 HB2 ALA 93 1HB ALA 93 18.139 4.549 3.228 817 HB3 ALA 93 2HB ALA 93 19.209 5.950 3.266 818 H GLY 94 H GLY 94 15.600 7.638 5.179 819 HA2 GLY 94 2HA GLY 94 15.462 9.796 5.982 820 HA3 GLY 94 1HA GLY 94 17.195 9.990 5.804 821 H SER 95 H SER 95 15.850 8.849 2.891 822 HA SER 95 HA SER 95 16.085 11.374 1.545 823 HB2 SER 95 2HB SER 95 14.923 8.745 0.517 824 HB3 SER 95 1HB SER 95 15.455 10.109 -0.469 825 HG SER 95 HG SER 95 17.563 9.762 0.571 826 H LYS 96 H LYS 96 14.577 12.927 1.948 827 HA LYS 96 HA LYS 96 11.903 12.582 2.699 828 HB2 LYS 96 2HB LYS 96 11.673 15.031 2.327 829 HB3 LYS 96 1HB LYS 96 13.119 14.598 3.234 830 HG2 LYS 96 2HG LYS 96 14.457 14.832 1.121 831 HG3 LYS 96 1HG LYS 96 13.008 15.437 0.313 832 HD2 LYS 96 2HD LYS 96 14.374 16.719 2.723 833 HD3 LYS 96 1HD LYS 96 14.489 17.285 1.059 834 HE2 LYS 96 2HE LYS 96 12.109 17.840 1.038 835 HE3 LYS 96 1HE LYS 96 11.903 17.145 2.649 836 HZ1 LYS 96 3HZ LYS 96 13.585 19.508 1.994 837 HZ2 LYS 96 1HZ LYS 96 13.390 18.839 3.532 838 HZ3 LYS 96 2HZ LYS 96 12.077 19.554 2.749 839 H SER 97 H SER 97 13.226 13.171 -0.557 840 HA SER 97 HA SER 97 10.735 13.579 -1.859 841 HB2 SER 97 2HB SER 97 13.404 12.660 -3.004 842 HB3 SER 97 1HB SER 97 12.021 13.185 -3.971 843 HG SER 97 HG SER 97 12.490 15.185 -3.540 844 H ALA 98 H ALA 98 12.703 10.644 -1.325 845 HA ALA 98 HA ALA 98 10.976 8.806 -2.649 846 HB1 ALA 98 3HB ALA 98 12.955 8.344 -0.396 847 HB2 ALA 98 1HB ALA 98 13.310 8.301 -2.122 848 HB3 ALA 98 2HB ALA 98 12.234 7.092 -1.418 849 H MET 99 H MET 99 11.086 10.115 0.634 850 HA MET 99 HA MET 99 9.062 8.507 1.789 851 HB2 MET 99 2HB MET 99 10.674 9.766 3.132 852 HB3 MET 99 1HB MET 99 10.069 11.294 2.512 853 HG2 MET 99 2HG MET 99 8.293 9.419 4.077 854 HG3 MET 99 1HG MET 99 9.358 10.568 4.881 855 HE1 MET 99 3HE MET 99 9.141 13.187 4.676 856 HE2 MET 99 1HE MET 99 7.957 13.996 3.651 857 HE3 MET 99 2HE MET 99 9.270 13.077 2.918 858 H GLU 100 H GLU 100 9.022 11.487 -0.088 859 HA GLU 100 HA GLU 100 6.236 12.081 0.137 860 HB2 GLU 100 2HB GLU 100 7.897 13.801 -0.522 861 HB3 GLU 100 1HB GLU 100 8.265 12.911 -2.000 862 HG2 GLU 100 2HG GLU 100 5.913 13.256 -2.761 863 HG3 GLU 100 1HG GLU 100 5.593 14.190 -1.302 864 H ARG 101 H ARG 101 8.226 10.206 -2.109 865 HA ARG 101 HA ARG 101 6.245 9.458 -3.982 866 HB2 ARG 101 2HB ARG 101 8.990 8.542 -3.182 867 HB3 ARG 101 1HB ARG 101 8.026 7.371 -4.061 868 HG2 ARG 101 2HG ARG 101 8.615 10.166 -5.080 869 HG3 ARG 101 1HG ARG 101 9.566 8.731 -5.472 870 HD2 ARG 101 2HD ARG 101 7.370 7.688 -6.331 871 HD3 ARG 101 1HD ARG 101 6.685 9.310 -6.224 872 HE ARG 101 HE ARG 101 7.941 9.966 -8.046 873 HH11 ARG 101 1HH1 ARG 101 8.899 6.707 -7.105 874 HH12 ARG 101 2HH1 ARG 101 9.786 6.425 -8.570 875 HH21 ARG 101 1HH2 ARG 101 9.115 9.576 -9.947 876 HH22 ARG 101 2HH2 ARG 101 9.908 8.049 -10.180 877 H LEU 102 H LEU 102 7.297 8.084 -0.907 878 HA LEU 102 HA LEU 102 5.829 5.651 -1.059 879 HB2 LEU 102 2HB LEU 102 7.833 5.951 0.357 880 HB3 LEU 102 1HB LEU 102 6.982 7.131 1.338 881 HG LEU 102 HG LEU 102 5.461 5.374 2.180 882 HD11 LEU 102 1HD1 LEU 102 5.355 3.907 0.237 883 HD12 LEU 102 2HD1 LEU 102 5.827 3.003 1.674 884 HD13 LEU 102 3HD1 LEU 102 7.043 3.439 0.469 885 HD21 LEU 102 3HD2 LEU 102 8.374 4.578 2.426 886 HD22 LEU 102 1HD2 LEU 102 7.068 4.122 3.522 887 HD23 LEU 102 2HD2 LEU 102 7.550 5.810 3.387 888 H LYS 103 H LYS 103 5.240 8.785 0.575 889 HA LYS 103 HA LYS 103 2.665 8.252 1.575 890 HB2 LYS 103 2HB LYS 103 3.941 10.892 0.743 891 HB3 LYS 103 1HB LYS 103 2.381 10.775 1.554 892 HG2 LYS 103 2HG LYS 103 3.485 9.701 3.503 893 HG3 LYS 103 1HG LYS 103 5.043 9.862 2.687 894 HD2 LYS 103 2HD LYS 103 4.737 11.674 4.325 895 HD3 LYS 103 1HD LYS 103 4.816 12.311 2.685 896 HE2 LYS 103 2HE LYS 103 2.296 12.436 2.683 897 HE3 LYS 103 1HE LYS 103 2.320 11.956 4.380 898 HZ1 LYS 103 3HZ LYS 103 2.154 14.330 4.213 899 HZ2 LYS 103 1HZ LYS 103 3.534 14.421 3.234 900 HZ3 LYS 103 2HZ LYS 103 3.668 13.939 4.846 901 H ARG 104 H ARG 104 3.753 9.537 -1.543 902 HA ARG 104 HA ARG 104 1.308 10.149 -2.760 903 HB2 ARG 104 2HB ARG 104 3.477 10.800 -3.732 904 HB3 ARG 104 1HB ARG 104 3.911 9.115 -3.985 905 HG2 ARG 104 2HG ARG 104 2.112 8.890 -5.655 906 HG3 ARG 104 1HG ARG 104 1.646 10.571 -5.388 907 HD2 ARG 104 2HD ARG 104 3.874 11.303 -6.214 908 HD3 ARG 104 1HD ARG 104 4.310 9.610 -6.480 909 HE ARG 104 HE ARG 104 2.467 9.503 -8.115 910 HH11 ARG 104 1HH1 ARG 104 3.749 12.693 -7.358 911 HH12 ARG 104 2HH1 ARG 104 3.236 13.386 -8.862 912 HH21 ARG 104 1HH2 ARG 104 1.799 10.421 -10.071 913 HH22 ARG 104 2HH2 ARG 104 2.128 12.088 -10.406 914 H GLY 105 H GLY 105 3.129 7.135 -2.520 915 HA2 GLY 105 2HA GLY 105 1.529 5.472 -4.114 916 HA3 GLY 105 1HA GLY 105 2.588 4.954 -2.809 917 H ILE 106 H ILE 106 1.452 6.071 -0.556 918 HA ILE 106 HA ILE 106 -0.762 4.391 -0.078 919 HB ILE 106 HB ILE 106 0.578 6.549 1.553 920 HG12 ILE 106 2HG1 ILE 106 0.670 4.634 3.252 921 HG13 ILE 106 1HG1 ILE 106 -0.036 3.597 2.029 922 HG21 ILE 106 1HG2 ILE 106 -1.030 6.296 3.425 923 HG22 ILE 106 2HG2 ILE 106 -2.083 5.341 2.383 924 HG23 ILE 106 3HG2 ILE 106 -1.786 7.038 2.010 925 HD11 ILE 106 3HD1 ILE 106 1.949 3.923 0.648 926 HD12 ILE 106 1HD1 ILE 106 2.341 3.279 2.240 927 HD13 ILE 106 2HD1 ILE 106 2.622 4.979 1.883 928 H ILE 107 H ILE 107 -0.620 7.832 -1.036 929 HA ILE 107 HA ILE 107 -3.346 8.526 -0.639 930 HB ILE 107 HB ILE 107 -1.318 9.592 -2.666 931 HG12 ILE 107 2HG1 ILE 107 -2.273 10.862 -0.058 932 HG13 ILE 107 1HG1 ILE 107 -0.790 9.932 -0.215 933 HG21 ILE 107 1HG2 ILE 107 -4.031 10.785 -1.960 934 HG22 ILE 107 2HG2 ILE 107 -3.577 10.074 -3.511 935 HG23 ILE 107 3HG2 ILE 107 -2.804 11.561 -2.964 936 HD11 ILE 107 3HD1 ILE 107 0.066 11.570 -1.817 937 HD12 ILE 107 1HD1 ILE 107 -0.321 12.287 -0.254 938 HD13 ILE 107 2HD1 ILE 107 -1.411 12.522 -1.620 939 H HIS 108 H HIS 108 -1.607 7.410 -3.496 940 HA HIS 108 HA HIS 108 -3.744 7.309 -5.332 941 HB2 HIS 108 2HB HIS 108 -1.318 7.348 -5.963 942 HB3 HIS 108 1HB HIS 108 -1.154 5.694 -5.390 943 HD1 HIS 108 HD1 HIS 108 -0.281 5.327 -7.879 944 HD2 HIS 108 HD2 HIS 108 -4.339 6.141 -7.517 945 HE1 HIS 108 HE1 HIS 108 -1.315 4.612 -10.049 946 HE2 HIS 108 HE2 HIS 108 -3.779 4.865 -9.687 947 H ALA 109 H ALA 109 -2.285 4.741 -3.315 948 HA ALA 109 HA ALA 109 -3.884 2.583 -4.237 949 HB1 ALA 109 3HB ALA 109 -3.031 1.371 -2.279 950 HB2 ALA 109 1HB ALA 109 -2.427 2.883 -1.581 951 HB3 ALA 109 2HB ALA 109 -1.734 2.255 -3.079 952 H ARG 110 H ARG 110 -4.200 4.861 -1.563 953 HA ARG 110 HA ARG 110 -6.363 3.763 -0.138 954 HB2 ARG 110 2HB ARG 110 -4.851 5.578 0.673 955 HB3 ARG 110 1HB ARG 110 -5.539 6.684 -0.507 956 HG2 ARG 110 2HG ARG 110 -6.494 7.191 1.618 957 HG3 ARG 110 1HG ARG 110 -7.751 6.426 0.643 958 HD2 ARG 110 2HD ARG 110 -7.348 4.284 1.817 959 HD3 ARG 110 1HD ARG 110 -6.104 5.072 2.808 960 HE ARG 110 HE ARG 110 -8.509 6.532 2.987 961 HH11 ARG 110 1HH1 ARG 110 -7.211 3.442 4.017 962 HH12 ARG 110 2HH1 ARG 110 -8.228 3.343 5.411 963 HH21 ARG 110 1HH2 ARG 110 -9.836 6.403 4.807 964 HH22 ARG 110 2HH2 ARG 110 -9.721 5.037 5.859 965 H ALA 111 H ALA 111 -6.239 6.174 -2.728 966 HA ALA 111 HA ALA 111 -9.005 6.742 -2.910 967 HB1 ALA 111 3HB ALA 111 -8.389 7.901 -4.991 968 HB2 ALA 111 1HB ALA 111 -6.790 7.138 -4.952 969 HB3 ALA 111 2HB ALA 111 -7.258 8.281 -3.693 970 H LEU 112 H LEU 112 -6.885 4.399 -4.450 971 HA LEU 112 HA LEU 112 -8.655 3.503 -6.506 972 HB2 LEU 112 2HB LEU 112 -6.205 2.230 -5.241 973 HB3 LEU 112 1HB LEU 112 -7.117 1.417 -6.505 974 HG LEU 112 HG LEU 112 -5.836 4.153 -6.874 975 HD11 LEU 112 1HD1 LEU 112 -4.767 1.454 -7.727 976 HD12 LEU 112 2HD1 LEU 112 -4.122 2.459 -6.426 977 HD13 LEU 112 3HD1 LEU 112 -4.056 3.028 -8.092 978 HD21 LEU 112 3HD2 LEU 112 -7.001 2.199 -8.897 979 HD22 LEU 112 1HD2 LEU 112 -6.170 3.708 -9.285 980 HD23 LEU 112 2HD2 LEU 112 -7.700 3.748 -8.412 981 H VAL 113 H VAL 113 -7.887 2.186 -3.250 982 HA VAL 113 HA VAL 113 -9.617 -0.049 -3.435 983 HB VAL 113 HB VAL 113 -8.666 1.305 -0.861 984 HG11 VAL 113 1HG1 VAL 113 -9.049 -0.916 0.190 985 HG12 VAL 113 2HG1 VAL 113 -9.707 -1.523 -1.331 986 HG13 VAL 113 3HG1 VAL 113 -10.545 -0.237 -0.460 987 HG21 VAL 113 3HG2 VAL 113 -6.755 0.658 -2.294 988 HG22 VAL 113 1HG2 VAL 113 -7.371 -0.990 -2.385 989 HG23 VAL 113 2HG2 VAL 113 -6.826 -0.334 -0.839 990 H ARG 114 H ARG 114 -10.066 3.251 -2.247 991 HA ARG 114 HA ARG 114 -12.618 3.055 -1.108 992 HB2 ARG 114 2HB ARG 114 -11.157 5.025 -0.806 993 HB3 ARG 114 1HB ARG 114 -11.273 5.400 -2.516 994 HG2 ARG 114 2HG ARG 114 -12.671 6.947 -1.328 995 HG3 ARG 114 1HG ARG 114 -13.725 5.850 -2.215 996 HD2 ARG 114 2HD ARG 114 -13.072 5.529 0.732 997 HD3 ARG 114 1HD ARG 114 -14.460 6.435 0.138 998 HE ARG 114 HE ARG 114 -14.997 4.166 -1.028 999 HH11 ARG 114 1HH1 ARG 114 -13.698 4.544 2.243 1000 HH12 ARG 114 2HH1 ARG 114 -14.432 3.075 2.810 1001 HH21 ARG 114 1HH2 ARG 114 -15.954 2.273 -0.240 1002 HH22 ARG 114 2HH2 ARG 114 -15.702 1.798 1.410 1003 H GLU 115 H GLU 115 -11.730 4.077 -4.431 1004 HA GLU 115 HA GLU 115 -14.446 4.363 -5.314 1005 HB2 GLU 115 2HB GLU 115 -13.519 4.874 -7.501 1006 HB3 GLU 115 1HB GLU 115 -12.569 5.693 -6.264 1007 HG2 GLU 115 2HG GLU 115 -10.862 3.852 -6.438 1008 HG3 GLU 115 1HG GLU 115 -11.790 3.178 -7.777 1009 H CYS 116 H CYS 116 -12.180 1.698 -5.281 1010 HA CYS 116 HA CYS 116 -13.600 0.131 -7.271 1011 HB2 CYS 116 2HB CYS 116 -11.176 -0.143 -6.976 1012 HB3 CYS 116 1HB CYS 116 -11.423 -0.700 -5.323 1013 HG CYS 116 HG CYS 116 -12.482 -3.113 -5.944 1014 H LEU 117 H LEU 117 -13.494 0.380 -3.714 1015 HA LEU 117 HA LEU 117 -15.117 -1.810 -3.059 1016 HB2 LEU 117 2HB LEU 117 -14.583 0.837 -1.705 1017 HB3 LEU 117 1HB LEU 117 -15.831 -0.204 -1.048 1018 HG LEU 117 HG LEU 117 -12.955 -1.140 -1.430 1019 HD11 LEU 117 1HD1 LEU 117 -12.951 0.756 0.126 1020 HD12 LEU 117 2HD1 LEU 117 -12.588 -0.753 0.959 1021 HD13 LEU 117 3HD1 LEU 117 -14.193 -0.026 1.111 1022 HD21 LEU 117 3HD2 LEU 117 -13.583 -2.921 0.146 1023 HD22 LEU 117 1HD2 LEU 117 -14.612 -2.945 -1.287 1024 HD23 LEU 117 2HD2 LEU 117 -15.229 -2.285 0.230 1025 H ALA 118 H ALA 118 -15.929 1.269 -4.468 1026 HA ALA 118 HA ALA 118 -18.689 1.391 -4.080 1027 HB1 ALA 118 3HB ALA 118 -18.739 2.878 -6.035 1028 HB2 ALA 118 1HB ALA 118 -17.115 2.341 -6.500 1029 HB3 ALA 118 2HB ALA 118 -17.354 3.252 -5.009 1030 H GLU 119 H GLU 119 -16.839 -0.235 -6.725 1031 HA GLU 119 HA GLU 119 -19.256 -1.495 -7.766 1032 HB2 GLU 119 2HB GLU 119 -17.747 -2.483 -9.461 1033 HB3 GLU 119 1HB GLU 119 -17.592 -0.731 -9.374 1034 HG2 GLU 119 2HG GLU 119 -15.524 -1.003 -8.027 1035 HG3 GLU 119 1HG GLU 119 -15.665 -2.750 -8.184 1036 H THR 120 H THR 120 -16.673 -2.313 -5.572 1037 HA THR 120 HA THR 120 -16.645 -5.154 -5.946 1038 HB THR 120 HB THR 120 -15.660 -3.567 -3.518 1039 HG1 THR 120 HG1 THR 120 -14.726 -3.561 -5.951 1040 HG21 THR 120 3HG2 THR 120 -14.211 -5.502 -3.023 1041 HG22 THR 120 1HG2 THR 120 -14.893 -6.390 -4.385 1042 HG23 THR 120 2HG2 THR 120 -15.904 -5.997 -2.993 1043 H GLU 121 H GLU 121 -18.560 -2.981 -3.965 1044 HA GLU 121 HA GLU 121 -19.598 -4.758 -2.075 1045 HB2 GLU 121 2HB GLU 121 -21.436 -3.144 -1.794 1046 HB3 GLU 121 1HB GLU 121 -19.856 -2.378 -1.837 1047 HG2 GLU 121 2HG GLU 121 -20.261 -1.725 -4.208 1048 HG3 GLU 121 1HG GLU 121 -21.879 -2.425 -4.096 1049 H ARG 122 H ARG 122 -20.385 -4.438 -5.453 1050 HA ARG 122 HA ARG 122 -22.889 -5.805 -5.451 1051 HB2 ARG 122 2HB ARG 122 -20.853 -5.247 -7.624 1052 HB3 ARG 122 1HB ARG 122 -22.322 -6.162 -7.953 1053 HG2 ARG 122 2HG ARG 122 -22.252 -3.331 -6.875 1054 HG3 ARG 122 1HG ARG 122 -22.506 -3.768 -8.564 1055 HD2 ARG 122 2HD ARG 122 -24.555 -5.052 -7.860 1056 HD3 ARG 122 1HD ARG 122 -24.323 -4.441 -6.218 1057 HE ARG 122 HE ARG 122 -24.391 -2.253 -7.971 1058 HH11 ARG 122 1HH1 ARG 122 -26.599 -4.719 -6.752 1059 HH12 ARG 122 2HH1 ARG 122 -28.004 -3.719 -6.935 1060 HH21 ARG 122 1HH2 ARG 122 -26.218 -0.977 -8.241 1061 HH22 ARG 122 2HH2 ARG 122 -27.783 -1.575 -7.789 1062 H ASN 123 H ASN 123 -19.587 -6.995 -5.279 1063 HA ASN 123 HA ASN 123 -20.128 -9.710 -6.004 1064 HB2 ASN 123 2HB ASN 123 -17.937 -10.217 -5.342 1065 HB3 ASN 123 1HB ASN 123 -17.780 -8.515 -5.709 1066 HD21 ASN 123 1HD2 ASN 123 -16.056 -10.108 -4.085 1067 HD22 ASN 123 2HD2 ASN 123 -16.065 -9.430 -2.500 1068 H ALA 124 H ALA 124 -20.560 -7.793 -3.160 1069 HA ALA 124 HA ALA 124 -21.616 -8.027 -1.186 1070 HB1 ALA 124 3HB ALA 124 -23.497 -8.447 -2.708 1071 HB2 ALA 124 1HB ALA 124 -23.679 -9.354 -1.204 1072 HB3 ALA 124 2HB ALA 124 -23.155 -10.178 -2.675 1073 H ARG 125 H ARG 125 -19.190 -9.668 -1.584 1074 HA ARG 125 HA ARG 125 -19.721 -12.201 -0.222 1075 HB2 ARG 125 2HB ARG 125 -18.221 -12.015 -2.281 1076 HB3 ARG 125 1HB ARG 125 -17.052 -11.146 -1.290 1077 HG2 ARG 125 2HG ARG 125 -16.432 -13.521 -1.517 1078 HG3 ARG 125 1HG ARG 125 -16.799 -13.133 0.167 1079 HD2 ARG 125 2HD ARG 125 -19.039 -14.130 -0.076 1080 HD3 ARG 125 1HD ARG 125 -18.721 -14.463 -1.780 1081 HE ARG 125 HE ARG 125 -16.837 -15.695 0.030 1082 HH11 ARG 125 1HH1 ARG 125 -19.979 -16.065 -1.536 1083 HH12 ARG 125 2HH1 ARG 125 -19.979 -17.793 -1.412 1084 HH21 ARG 125 1HH2 ARG 125 -16.860 -17.973 0.177 1085 HH22 ARG 125 2HH2 ARG 125 -18.210 -18.868 -0.439 1086 H THR 126 H THR 126 -18.944 -12.743 1.772 1087 HA THR 126 HA THR 126 -17.212 -10.945 3.283 1088 HB THR 126 HB THR 126 -19.307 -10.144 4.081 1089 HG1 THR 126 HG1 THR 126 -17.797 -10.606 5.726 1090 HG21 THR 126 3HG2 THR 126 -21.128 -11.519 4.998 1091 HG22 THR 126 1HG2 THR 126 -20.251 -12.989 4.584 1092 HG23 THR 126 2HG2 THR 126 -20.837 -11.919 3.304
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