NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
465928 | 2rqg | 10019 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 64 1H ALA 64 5.830 -0.276 -5.992 2 HA ALA 64 HA ALA 64 4.552 0.833 -3.625 3 HB1 ALA 64 3HB ALA 64 4.401 2.379 -5.314 4 HB2 ALA 64 1HB ALA 64 4.187 1.155 -6.565 5 HB3 ALA 64 2HB ALA 64 2.851 1.556 -5.485 6 H PHE 65 H PHE 65 3.845 -1.522 -6.184 7 HA PHE 65 HA PHE 65 1.773 -2.665 -4.433 8 HB2 PHE 65 1HB PHE 65 1.476 -2.992 -7.371 9 HB3 PHE 65 2HB PHE 65 0.242 -2.821 -6.127 10 HD1 PHE 65 HD1 PHE 65 2.568 -1.026 -8.323 11 HD2 PHE 65 HD2 PHE 65 -0.576 -0.668 -5.476 12 HE1 PHE 65 HE1 PHE 65 2.281 1.337 -8.942 13 HE2 PHE 65 HE2 PHE 65 -0.868 1.696 -6.091 14 HZ PHE 65 HZ PHE 65 0.561 2.702 -7.827 15 H SER 66 H SER 66 3.471 -3.507 -7.456 16 HA SER 66 HA SER 66 4.077 -6.133 -6.261 17 HB2 SER 66 1HB SER 66 3.187 -5.361 -9.009 18 HB3 SER 66 2HB SER 66 4.247 -6.758 -8.826 19 HG SER 66 HG SER 66 2.532 -7.816 -8.273 20 H ARG 67 H ARG 67 5.253 -3.480 -8.242 21 HA ARG 67 HA ARG 67 7.952 -3.961 -7.437 22 HB2 ARG 67 1HB ARG 67 7.885 -5.641 -9.166 23 HB3 ARG 67 2HB ARG 67 7.173 -4.505 -10.304 24 HG2 ARG 67 1HG ARG 67 9.190 -3.261 -10.455 25 HG3 ARG 67 2HG ARG 67 9.903 -4.140 -9.101 26 HD2 ARG 67 1HD ARG 67 9.655 -6.231 -10.510 27 HD3 ARG 67 2HD ARG 67 9.285 -5.161 -11.862 28 HE ARG 67 HE ARG 67 11.616 -4.170 -10.953 29 HH11 ARG 67 1HH1 ARG 67 10.588 -7.393 -11.775 30 HH12 ARG 67 2HH1 ARG 67 12.166 -7.910 -12.270 31 HH21 ARG 67 1HH2 ARG 67 13.698 -4.839 -11.602 32 HH22 ARG 67 2HH2 ARG 67 13.934 -6.457 -12.170 33 H GLN 68 H GLN 68 6.637 -2.590 -10.443 34 HA GLN 68 HA GLN 68 7.689 0.025 -9.598 35 HB2 GLN 68 1HB GLN 68 8.637 -1.034 -11.679 36 HB3 GLN 68 2HB GLN 68 7.049 -0.857 -12.413 37 HG2 GLN 68 1HG GLN 68 7.172 1.521 -12.277 38 HG3 GLN 68 2HG GLN 68 8.648 1.440 -11.317 39 HE21 GLN 68 2HE2 GLN 68 7.274 0.768 -14.482 40 HE22 GLN 68 1HE2 GLN 68 8.756 0.900 -15.359 41 H LEU 69 H LEU 69 6.478 1.933 -10.367 42 HA LEU 69 HA LEU 69 3.579 1.410 -10.426 43 HB2 LEU 69 1HB LEU 69 3.393 3.691 -9.339 44 HB3 LEU 69 2HB LEU 69 3.994 2.373 -8.335 45 HG LEU 69 HG LEU 69 6.336 3.286 -8.963 46 HD11 LEU 69 1HD1 LEU 69 5.652 4.826 -10.690 47 HD12 LEU 69 2HD1 LEU 69 6.342 5.724 -9.338 48 HD13 LEU 69 3HD1 LEU 69 4.594 5.672 -9.561 49 HD21 LEU 69 3HD2 LEU 69 4.367 4.415 -7.024 50 HD22 LEU 69 1HD2 LEU 69 5.973 5.133 -7.155 51 HD23 LEU 69 2HD2 LEU 69 5.801 3.430 -6.729 52 H ASN 70 H ASN 70 2.507 3.723 -11.073 53 HA ASN 70 HA ASN 70 3.498 4.191 -13.774 54 HB2 ASN 70 1HB ASN 70 1.155 3.729 -13.658 55 HB3 ASN 70 2HB ASN 70 0.919 4.918 -12.379 56 HD21 ASN 70 2HD2 ASN 70 -0.324 6.443 -13.205 57 HD22 ASN 70 1HD2 ASN 70 -0.061 7.258 -14.706 58 H VAL 71 H VAL 71 4.285 6.098 -14.511 59 HA VAL 71 HA VAL 71 4.947 8.107 -12.504 60 HB VAL 71 HB VAL 71 6.763 7.349 -13.930 61 HG11 VAL 71 1HG1 VAL 71 6.553 6.976 -16.113 62 HG12 VAL 71 2HG1 VAL 71 4.834 7.333 -15.938 63 HG13 VAL 71 3HG1 VAL 71 5.959 8.611 -16.399 64 HG21 VAL 71 3HG2 VAL 71 6.046 10.153 -14.760 65 HG22 VAL 71 1HG2 VAL 71 6.611 9.740 -13.141 66 HG23 VAL 71 2HG2 VAL 71 7.653 9.463 -14.536 67 H ASN 72 H ASN 72 2.753 7.609 -15.090 68 HA ASN 72 HA ASN 72 2.308 10.322 -15.809 69 HB2 ASN 72 1HB ASN 72 0.949 7.721 -16.304 70 HB3 ASN 72 2HB ASN 72 -0.006 9.184 -16.526 71 HD21 ASN 72 2HD2 ASN 72 3.408 8.490 -17.154 72 HD22 ASN 72 1HD2 ASN 72 3.358 8.885 -18.835 73 H ALA 73 H ALA 73 1.427 8.464 -13.099 74 HA ALA 73 HA ALA 73 -1.044 9.431 -12.347 75 HB1 ALA 73 3HB ALA 73 -0.642 8.423 -10.380 76 HB2 ALA 73 1HB ALA 73 0.811 7.830 -11.186 77 HB3 ALA 73 2HB ALA 73 0.896 9.255 -10.149 78 H LYS 74 H LYS 74 -1.754 11.442 -12.160 79 HA LYS 74 HA LYS 74 -0.249 13.752 -12.219 80 HB2 LYS 74 1HB LYS 74 -3.024 13.078 -11.428 81 HB3 LYS 74 2HB LYS 74 -2.411 14.626 -10.861 82 HG2 LYS 74 1HG LYS 74 -2.051 15.401 -13.062 83 HG3 LYS 74 2HG LYS 74 -2.279 13.788 -13.743 84 HD2 LYS 74 1HD LYS 74 -4.626 13.828 -13.066 85 HD3 LYS 74 2HD LYS 74 -4.401 15.430 -12.358 86 HE2 LYS 74 1HE LYS 74 -3.732 14.943 -15.233 87 HE3 LYS 74 2HE LYS 74 -5.406 15.203 -14.746 88 HZ1 LYS 74 3HZ LYS 74 -3.521 17.118 -13.680 89 HZ2 LYS 74 1HZ LYS 74 -5.045 17.367 -14.370 90 HZ3 LYS 74 2HZ LYS 74 -3.690 17.163 -15.362 91 HA PRO 75 HA PRO 75 1.469 14.432 -8.239 92 HB2 PRO 75 1HB PRO 75 1.134 17.106 -7.907 93 HB3 PRO 75 2HB PRO 75 2.302 16.417 -9.042 94 HG2 PRO 75 1HG PRO 75 -0.437 17.505 -9.569 95 HG3 PRO 75 2HG PRO 75 1.058 17.741 -10.493 96 HD2 PRO 75 1HD PRO 75 -0.855 15.976 -11.242 97 HD3 PRO 75 2HD PRO 75 0.871 15.704 -11.556 98 H PHE 76 H PHE 76 -0.759 17.075 -7.860 99 HA PHE 76 HA PHE 76 -2.776 15.729 -6.410 100 HB2 PHE 76 1HB PHE 76 -2.232 16.407 -4.141 101 HB3 PHE 76 2HB PHE 76 -0.922 15.428 -4.793 102 HD1 PHE 76 HD2 PHE 76 1.011 16.803 -5.936 103 HD2 PHE 76 HD1 PHE 76 -1.711 18.363 -3.060 104 HE1 PHE 76 HE2 PHE 76 2.616 18.585 -5.389 105 HE2 PHE 76 HE1 PHE 76 -0.110 20.149 -2.509 106 HZ PHE 76 HZ PHE 76 2.057 20.261 -3.673 107 H VAL 77 H VAL 77 -3.628 17.636 -4.660 108 HA VAL 77 HA VAL 77 -4.097 19.941 -6.433 109 HB VAL 77 HB VAL 77 -6.156 20.290 -4.980 110 HG11 VAL 77 1HG1 VAL 77 -6.773 19.552 -7.036 111 HG12 VAL 77 2HG1 VAL 77 -5.711 18.144 -6.973 112 HG13 VAL 77 3HG1 VAL 77 -7.247 18.132 -6.104 113 HG21 VAL 77 3HG2 VAL 77 -6.304 17.465 -4.296 114 HG22 VAL 77 1HG2 VAL 77 -5.013 18.310 -3.442 115 HG23 VAL 77 2HG2 VAL 77 -6.676 18.886 -3.321 116 HA PRO 78 HA PRO 78 -1.649 21.668 -2.931 117 HB2 PRO 78 1HB PRO 78 -0.321 23.468 -4.471 118 HB3 PRO 78 2HB PRO 78 0.211 21.794 -4.274 119 HG2 PRO 78 1HG PRO 78 -1.330 23.040 -6.517 120 HG3 PRO 78 2HG PRO 78 0.015 21.888 -6.589 121 HD2 PRO 78 1HD PRO 78 -2.567 21.132 -6.890 122 HD3 PRO 78 2HD PRO 78 -1.345 20.079 -6.149 123 H ASN 79 H ASN 79 -1.329 24.103 -2.432 124 HA ASN 79 HA ASN 79 -3.878 25.464 -2.993 125 HB2 ASN 79 1HB ASN 79 -3.142 24.798 -0.581 126 HB3 ASN 79 2HB ASN 79 -2.072 26.191 -0.707 127 HD21 ASN 79 2HD2 ASN 79 -5.440 25.410 -1.522 128 HD22 ASN 79 1HD2 ASN 79 -6.116 26.837 -0.819 129 H VAL 80 H VAL 80 -1.830 25.638 -4.878 130 HA VAL 80 HA VAL 80 -0.761 28.352 -4.487 131 HB VAL 80 HB VAL 80 0.116 26.264 -6.487 132 HG11 VAL 80 1HG1 VAL 80 1.002 28.020 -7.541 133 HG12 VAL 80 2HG1 VAL 80 0.669 29.104 -6.188 134 HG13 VAL 80 3HG1 VAL 80 2.133 28.119 -6.192 135 HG21 VAL 80 3HG2 VAL 80 2.229 26.389 -4.987 136 HG22 VAL 80 1HG2 VAL 80 1.117 27.014 -3.769 137 HG23 VAL 80 2HG2 VAL 80 0.857 25.413 -4.462 138 H HIS 81 H HIS 81 -1.894 29.905 -5.433 139 HA HIS 81 HA HIS 81 -3.338 29.286 -7.924 140 HB2 HIS 81 1HB HIS 81 -4.600 30.060 -5.797 141 HB3 HIS 81 2HB HIS 81 -3.942 31.651 -6.168 142 HD1 HIS 81 HD1 HIS 81 -5.680 28.985 -8.273 143 HD2 HIS 81 HD2 HIS 81 -5.814 33.063 -7.490 144 HE1 HIS 81 HE1 HIS 81 -7.519 29.890 -9.731 145 H ALA 82 H ALA 82 -2.075 32.228 -6.351 146 HA ALA 82 HA ALA 82 -1.112 33.123 -8.977 147 HB1 ALA 82 3HB ALA 82 -2.043 34.526 -6.531 148 HB2 ALA 82 1HB ALA 82 -0.827 35.323 -7.531 149 HB3 ALA 82 2HB ALA 82 -2.381 34.862 -8.229 150 H1 GLY 541 1H GLY 541 9.136 18.168 14.592 151 HA2 GLY 541 1HA GLY 541 11.032 19.833 15.779 152 HA3 GLY 541 2HA GLY 541 10.031 20.847 14.749 153 H GLN 542 H GLN 542 7.544 19.923 15.045 154 HA GLN 542 HA GLN 542 6.767 19.244 17.668 155 HB2 GLN 542 1HB GLN 542 7.490 21.961 17.351 156 HB3 GLN 542 2HB GLN 542 5.736 21.913 17.466 157 HG2 GLN 542 1HG GLN 542 6.258 20.324 19.502 158 HG3 GLN 542 2HG GLN 542 7.793 21.189 19.479 159 HE21 GLN 542 2HE2 GLN 542 4.313 21.566 19.733 160 HE22 GLN 542 1HE2 GLN 542 4.349 23.074 20.575 161 H GLU 543 H GLU 543 4.587 18.815 17.802 162 HA GLU 543 HA GLU 543 2.548 18.206 16.985 163 HB2 GLU 543 1HB GLU 543 2.441 20.779 17.180 164 HB3 GLU 543 2HB GLU 543 2.560 20.776 15.426 165 HG2 GLU 543 1HG GLU 543 0.305 20.809 15.650 166 HG3 GLU 543 2HG GLU 543 0.567 19.066 15.636 167 HA PRO 544 HA PRO 544 4.413 16.925 12.903 168 HB2 PRO 544 1HB PRO 544 4.313 14.260 13.406 169 HB3 PRO 544 2HB PRO 544 5.683 15.274 13.872 170 HG2 PRO 544 1HG PRO 544 3.391 14.306 15.536 171 HG3 PRO 544 2HG PRO 544 5.115 14.384 15.944 172 HD2 PRO 544 1HD PRO 544 3.332 16.235 16.795 173 HD3 PRO 544 2HD PRO 544 5.025 16.633 16.440 174 H LEU 545 H LEU 545 3.426 15.422 11.288 175 HA LEU 545 HA LEU 545 0.736 15.956 10.887 176 HB2 LEU 545 1HB LEU 545 2.441 15.181 9.198 177 HB3 LEU 545 2HB LEU 545 2.177 13.547 9.802 178 HG LEU 545 HG LEU 545 -0.138 13.624 9.068 179 HD11 LEU 545 1HD1 LEU 545 0.354 16.443 8.984 180 HD12 LEU 545 2HD1 LEU 545 -1.173 15.571 8.853 181 HD13 LEU 545 3HD1 LEU 545 -0.212 15.887 7.409 182 HD21 LEU 545 3HD2 LEU 545 2.026 14.254 7.104 183 HD22 LEU 545 1HD2 LEU 545 0.364 14.039 6.556 184 HD23 LEU 545 2HD2 LEU 545 1.190 12.729 7.401 185 H THR 546 H THR 546 -1.157 14.797 11.163 186 HA THR 546 HA THR 546 -1.037 12.281 12.651 187 HB THR 546 HB THR 546 -2.590 12.982 14.339 188 HG1 THR 546 HG1 THR 546 -2.801 15.273 12.716 189 HG21 THR 546 3HG2 THR 546 -0.674 15.283 14.247 190 HG22 THR 546 1HG2 THR 546 -0.081 13.638 14.468 191 HG23 THR 546 2HG2 THR 546 -1.209 14.333 15.632 192 H ALA 547 H ALA 547 -2.742 10.909 12.280 193 HA ALA 547 HA ALA 547 -4.161 11.156 9.883 194 HB1 ALA 547 3HB ALA 547 -5.591 9.271 10.948 195 HB2 ALA 547 1HB ALA 547 -3.889 8.973 10.593 196 HB3 ALA 547 2HB ALA 547 -4.396 9.336 12.244 197 H SER 548 H SER 548 -4.841 12.376 13.028 198 HA SER 548 HA SER 548 -7.643 12.565 12.905 199 HB2 SER 548 1HB SER 548 -5.675 14.366 14.339 200 HB3 SER 548 2HB SER 548 -7.409 14.297 14.649 201 HG SER 548 HG SER 548 -6.729 12.877 16.082 202 H MET 549 H MET 549 -5.098 14.830 11.918 203 HA MET 549 HA MET 549 -6.639 17.009 11.213 204 HB2 MET 549 1HB MET 549 -4.056 15.912 10.161 205 HB3 MET 549 2HB MET 549 -4.794 17.307 9.385 206 HG2 MET 549 1HG MET 549 -4.891 18.078 11.966 207 HG3 MET 549 2HG MET 549 -3.441 17.077 11.982 208 HE1 MET 549 3HE MET 549 -1.468 18.828 8.971 209 HE2 MET 549 1HE MET 549 -1.509 17.415 10.026 210 HE3 MET 549 2HE MET 549 -2.728 17.611 8.767 211 H LEU 550 H LEU 550 -6.002 14.063 9.383 212 HA LEU 550 HA LEU 550 -7.502 15.019 7.093 213 HB2 LEU 550 1HB LEU 550 -5.858 12.633 7.733 214 HB3 LEU 550 2HB LEU 550 -7.100 12.459 6.495 215 HG LEU 550 HG LEU 550 -6.032 14.416 5.313 216 HD11 LEU 550 1HD1 LEU 550 -3.687 14.887 5.887 217 HD12 LEU 550 2HD1 LEU 550 -3.853 13.882 7.326 218 HD13 LEU 550 3HD1 LEU 550 -4.802 15.360 7.169 219 HD21 LEU 550 3HD2 LEU 550 -4.359 11.937 5.711 220 HD22 LEU 550 1HD2 LEU 550 -4.245 13.058 4.354 221 HD23 LEU 550 2HD2 LEU 550 -5.711 12.106 4.590 222 H ALA 551 H ALA 551 -7.995 13.049 9.907 223 HA ALA 551 HA ALA 551 -10.249 11.590 9.066 224 HB1 ALA 551 3HB ALA 551 -8.801 11.286 11.167 225 HB2 ALA 551 1HB ALA 551 -9.857 12.496 11.896 226 HB3 ALA 551 2HB ALA 551 -10.533 10.981 11.297 227 H SER 552 H SER 552 -9.931 14.766 10.596 228 HA SER 552 HA SER 552 -12.826 15.151 10.451 229 HB2 SER 552 1HB SER 552 -11.596 15.756 12.540 230 HB3 SER 552 2HB SER 552 -10.725 16.988 11.627 231 HG SER 552 HG SER 552 -12.942 17.357 12.843 232 H ALA 553 H ALA 553 -11.283 15.035 8.021 233 HA ALA 553 HA ALA 553 -11.985 17.669 6.951 234 HB1 ALA 553 3HB ALA 553 -9.290 16.544 7.101 235 HB2 ALA 553 1HB ALA 553 -9.752 17.091 5.489 236 HB3 ALA 553 2HB ALA 553 -9.815 18.209 6.853 237 HA PRO 554 HA PRO 554 -13.718 15.471 3.571 238 HB2 PRO 554 1HB PRO 554 -13.165 17.098 1.470 239 HB3 PRO 554 2HB PRO 554 -14.363 17.500 2.706 240 HG2 PRO 554 1HG PRO 554 -11.531 18.434 2.438 241 HG3 PRO 554 2HG PRO 554 -12.981 19.363 2.860 242 HD2 PRO 554 1HD PRO 554 -11.210 18.503 4.719 243 HD3 PRO 554 2HD PRO 554 -12.946 18.661 5.055 244 HA PRO 555 HA PRO 555 -10.800 13.021 1.378 245 HB2 PRO 555 1HB PRO 555 -12.012 12.629 -1.019 246 HB3 PRO 555 2HB PRO 555 -12.569 11.867 0.475 247 HG2 PRO 555 1HG PRO 555 -13.618 14.303 -0.915 248 HG3 PRO 555 2HG PRO 555 -14.514 12.967 -0.170 249 HD2 PRO 555 1HD PRO 555 -14.158 15.350 1.065 250 HD3 PRO 555 2HD PRO 555 -14.264 13.818 1.957 251 H GLN 556 H GLN 556 -11.526 16.154 0.330 252 HA GLN 556 HA GLN 556 -9.639 16.098 -1.894 253 HB2 GLN 556 1HB GLN 556 -11.942 17.392 -1.734 254 HB3 GLN 556 2HB GLN 556 -10.945 18.613 -0.957 255 HG2 GLN 556 1HG GLN 556 -10.020 17.479 -3.540 256 HG3 GLN 556 2HG GLN 556 -11.370 18.613 -3.554 257 HE21 GLN 556 2HE2 GLN 556 -9.891 19.942 -4.800 258 HE22 GLN 556 1HE2 GLN 556 -8.750 20.939 -3.970 259 H GLU 557 H GLU 557 -10.107 17.864 1.163 260 HA GLU 557 HA GLU 557 -7.693 19.286 1.097 261 HB2 GLU 557 1HB GLU 557 -9.813 19.403 2.695 262 HB3 GLU 557 2HB GLU 557 -8.798 18.397 3.719 263 HG2 GLU 557 1HG GLU 557 -7.007 20.173 3.424 264 HG3 GLU 557 2HG GLU 557 -8.283 21.189 2.756 265 H GLN 558 H GLN 558 -8.371 15.987 1.832 266 HA GLN 558 HA GLN 558 -6.298 15.278 3.516 267 HB2 GLN 558 1HB GLN 558 -7.502 13.716 1.227 268 HB3 GLN 558 2HB GLN 558 -6.439 13.024 2.445 269 HG2 GLN 558 1HG GLN 558 -8.439 14.331 3.880 270 HG3 GLN 558 2HG GLN 558 -9.267 13.526 2.548 271 HE21 GLN 558 2HE2 GLN 558 -9.556 12.863 5.270 272 HE22 GLN 558 1HE2 GLN 558 -8.960 11.257 5.496 273 H LYS 559 H LYS 559 -6.157 14.546 0.040 274 HA LYS 559 HA LYS 559 -3.428 14.180 -0.124 275 HB2 LYS 559 1HB LYS 559 -3.704 14.763 -2.568 276 HB3 LYS 559 2HB LYS 559 -4.777 13.509 -1.961 277 HG2 LYS 559 1HG LYS 559 -6.573 15.176 -1.752 278 HG3 LYS 559 2HG LYS 559 -5.493 16.397 -2.428 279 HD2 LYS 559 1HD LYS 559 -5.570 15.493 -4.537 280 HD3 LYS 559 2HD LYS 559 -5.912 13.866 -3.943 281 HE2 LYS 559 1HE LYS 559 -8.183 14.535 -3.379 282 HE3 LYS 559 2HE LYS 559 -7.846 16.182 -3.910 283 HZ1 LYS 559 3HZ LYS 559 -8.557 15.537 -5.896 284 HZ2 LYS 559 1HZ LYS 559 -8.584 13.904 -5.455 285 HZ3 LYS 559 2HZ LYS 559 -7.157 14.600 -6.037 286 H GLN 560 H GLN 560 -5.258 17.162 -0.156 287 HA GLN 560 HA GLN 560 -3.272 18.887 -1.130 288 HB2 GLN 560 1HB GLN 560 -5.646 19.515 -0.888 289 HB3 GLN 560 2HB GLN 560 -5.465 19.493 0.861 290 HG2 GLN 560 1HG GLN 560 -3.894 21.325 0.759 291 HG3 GLN 560 2HG GLN 560 -3.959 21.313 -1.003 292 HE21 GLN 560 2HE2 GLN 560 -6.553 21.026 1.381 293 HE22 GLN 560 1HE2 GLN 560 -7.425 22.424 0.861 294 H MET 561 H MET 561 -4.293 18.544 2.274 295 HA MET 561 HA MET 561 -2.058 19.866 3.338 296 HB2 MET 561 1HB MET 561 -3.749 17.776 4.717 297 HB3 MET 561 2HB MET 561 -2.775 19.020 5.489 298 HG2 MET 561 1HG MET 561 -4.218 20.746 4.678 299 HG3 MET 561 2HG MET 561 -5.118 19.593 3.695 300 HE1 MET 561 3HE MET 561 -6.423 17.200 6.386 301 HE2 MET 561 1HE MET 561 -7.415 18.005 5.170 302 HE3 MET 561 2HE MET 561 -5.808 17.413 4.746 303 H LEU 562 H LEU 562 -2.774 16.373 3.227 304 HA LEU 562 HA LEU 562 -0.427 15.424 4.324 305 HB2 LEU 562 1HB LEU 562 -2.362 14.025 3.807 306 HB3 LEU 562 2HB LEU 562 -2.036 14.205 2.084 307 HG LEU 562 HG LEU 562 0.126 13.053 3.754 308 HD11 LEU 562 1HD1 LEU 562 -1.277 10.819 3.071 309 HD12 LEU 562 2HD1 LEU 562 -2.562 11.913 3.581 310 HD13 LEU 562 3HD1 LEU 562 -1.235 11.539 4.681 311 HD21 LEU 562 3HD2 LEU 562 -0.489 13.339 1.022 312 HD22 LEU 562 1HD2 LEU 562 -0.567 11.614 1.383 313 HD23 LEU 562 2HD2 LEU 562 0.900 12.525 1.744 314 H GLY 563 H GLY 563 -1.099 15.699 0.824 315 HA2 GLY 563 1HA GLY 563 1.473 15.108 -0.066 316 HA3 GLY 563 2HA GLY 563 0.303 16.073 -0.954 317 H GLU 564 H GLU 564 0.096 18.208 0.920 318 HA GLU 564 HA GLU 564 2.217 19.835 0.048 319 HB2 GLU 564 1HB GLU 564 -0.003 20.128 2.019 320 HB3 GLU 564 2HB GLU 564 1.309 21.298 2.066 321 HG2 GLU 564 1HG GLU 564 -0.104 20.676 -0.495 322 HG3 GLU 564 2HG GLU 564 -0.774 21.826 0.661 323 H ARG 565 H ARG 565 1.631 18.176 3.117 324 HA ARG 565 HA ARG 565 3.987 19.223 4.369 325 HB2 ARG 565 1HB ARG 565 1.765 18.241 5.410 326 HB3 ARG 565 2HB ARG 565 2.657 16.727 5.330 327 HG2 ARG 565 1HG ARG 565 4.502 17.880 6.599 328 HG3 ARG 565 2HG ARG 565 3.374 19.213 6.856 329 HD2 ARG 565 1HD ARG 565 1.862 17.791 8.045 330 HD3 ARG 565 2HD ARG 565 2.797 16.357 7.621 331 HE ARG 565 HE ARG 565 3.281 18.124 9.795 332 HH11 ARG 565 1HH1 ARG 565 4.872 16.101 7.451 333 HH12 ARG 565 2HH1 ARG 565 6.266 15.825 8.442 334 HH21 ARG 565 1HH2 ARG 565 5.111 17.768 11.109 335 HH22 ARG 565 2HH2 ARG 565 6.400 16.773 10.523 336 H LEU 566 H LEU 566 3.176 16.369 2.522 337 HA LEU 566 HA LEU 566 5.570 14.934 3.174 338 HB2 LEU 566 1HB LEU 566 3.176 14.505 1.592 339 HB3 LEU 566 2HB LEU 566 4.622 13.912 0.777 340 HG LEU 566 HG LEU 566 5.039 12.778 3.137 341 HD11 LEU 566 1HD1 LEU 566 2.135 13.448 3.092 342 HD12 LEU 566 2HD1 LEU 566 3.271 13.442 4.441 343 HD13 LEU 566 3HD1 LEU 566 2.660 11.919 3.796 344 HD21 LEU 566 3HD2 LEU 566 4.715 11.744 0.846 345 HD22 LEU 566 1HD2 LEU 566 3.006 11.602 1.259 346 HD23 LEU 566 2HD2 LEU 566 4.219 10.762 2.226 347 H PHE 567 H PHE 567 4.657 17.309 0.825 348 HA PHE 567 HA PHE 567 6.418 16.898 -1.241 349 HB2 PHE 567 1HB PHE 567 5.024 18.688 -1.636 350 HB3 PHE 567 2HB PHE 567 5.221 19.337 -0.011 351 HD1 PHE 567 HD1 PHE 567 7.541 18.555 -2.832 352 HD2 PHE 567 HD2 PHE 567 6.144 21.429 -0.020 353 HE1 PHE 567 HE1 PHE 567 9.177 20.182 -3.687 354 HE2 PHE 567 HE2 PHE 567 7.777 23.061 -0.871 355 HZ PHE 567 HZ PHE 567 9.296 22.439 -2.707 356 HA PRO 568 HA PRO 568 9.849 19.343 1.127 357 HB2 PRO 568 1HB PRO 568 9.428 19.831 3.765 358 HB3 PRO 568 2HB PRO 568 8.917 20.943 2.489 359 HG2 PRO 568 1HG PRO 568 7.308 18.913 3.990 360 HG3 PRO 568 2HG PRO 568 6.879 20.576 3.547 361 HD2 PRO 568 1HD PRO 568 5.992 18.425 2.163 362 HD3 PRO 568 2HD PRO 568 6.316 19.991 1.391 363 H LEU 569 H LEU 569 8.056 17.086 3.208 364 HA LEU 569 HA LEU 569 10.160 16.007 4.642 365 HB2 LEU 569 1HB LEU 569 7.570 15.571 4.683 366 HB3 LEU 569 2HB LEU 569 7.998 14.212 3.646 367 HG LEU 569 HG LEU 569 7.772 13.547 5.991 368 HD11 LEU 569 1HD1 LEU 569 10.691 13.374 5.395 369 HD12 LEU 569 2HD1 LEU 569 9.529 12.610 4.311 370 HD13 LEU 569 3HD1 LEU 569 9.591 12.139 6.009 371 HD21 LEU 569 3HD2 LEU 569 10.260 14.885 6.815 372 HD22 LEU 569 1HD2 LEU 569 8.781 14.570 7.723 373 HD23 LEU 569 2HD2 LEU 569 8.860 15.940 6.616 374 H ILE 570 H ILE 570 9.101 15.302 1.368 375 HA ILE 570 HA ILE 570 10.818 13.035 1.029 376 HB ILE 570 HB ILE 570 9.356 14.738 -0.990 377 HG12 ILE 570 1HG1 ILE 570 8.779 11.908 -0.108 378 HG13 ILE 570 2HG1 ILE 570 8.040 13.313 0.653 379 HG21 ILE 570 1HG2 ILE 570 10.921 12.192 -1.378 380 HG22 ILE 570 2HG2 ILE 570 9.824 12.882 -2.573 381 HG23 ILE 570 3HG2 ILE 570 11.264 13.772 -2.081 382 HD11 ILE 570 3HD1 ILE 570 6.563 13.547 -0.990 383 HD12 ILE 570 1HD1 ILE 570 7.785 13.328 -2.242 384 HD13 ILE 570 2HD1 ILE 570 7.039 11.922 -1.481 385 H GLN 571 H GLN 571 11.053 16.479 0.411 386 HA GLN 571 HA GLN 571 13.261 16.530 -1.281 387 HB2 GLN 571 1HB GLN 571 12.437 18.487 0.869 388 HB3 GLN 571 2HB GLN 571 13.676 18.810 -0.337 389 HG2 GLN 571 1HG GLN 571 12.001 18.521 -2.109 390 HG3 GLN 571 2HG GLN 571 10.767 18.262 -0.877 391 HE21 GLN 571 2HE2 GLN 571 11.688 20.437 -2.979 392 HE22 GLN 571 1HE2 GLN 571 11.379 21.905 -2.123 393 H ALA 572 H ALA 572 13.053 15.708 2.049 394 HA ALA 572 HA ALA 572 15.537 16.344 3.055 395 HB1 ALA 572 3HB ALA 572 15.274 14.343 4.514 396 HB2 ALA 572 1HB ALA 572 13.857 15.393 4.471 397 HB3 ALA 572 2HB ALA 572 13.867 13.886 3.554 398 H MET 573 H MET 573 14.663 13.806 0.807 399 HA MET 573 HA MET 573 17.508 13.057 0.629 400 HB2 MET 573 1HB MET 573 16.701 10.827 -0.172 401 HB3 MET 573 2HB MET 573 16.305 11.180 1.505 402 HG2 MET 573 1HG MET 573 14.129 12.111 0.041 403 HG3 MET 573 2HG MET 573 14.568 10.578 -0.709 404 HE1 MET 573 3HE MET 573 12.922 11.797 3.132 405 HE2 MET 573 1HE MET 573 12.743 12.402 1.485 406 HE3 MET 573 2HE MET 573 11.671 11.134 2.080 407 H HIS 574 H HIS 574 14.538 13.762 -1.090 408 HA HIS 574 HA HIS 574 16.114 14.079 -3.553 409 HB2 HIS 574 1HB HIS 574 13.608 12.534 -3.124 410 HB3 HIS 574 2HB HIS 574 13.750 13.442 -4.626 411 HD1 HIS 574 HD1 HIS 574 14.893 10.375 -2.944 412 HD2 HIS 574 HD2 HIS 574 15.928 12.594 -6.300 413 HE1 HIS 574 HE1 HIS 574 16.355 8.864 -4.324 414 HA PRO 575 HA PRO 575 13.862 17.987 -2.485 415 HB2 PRO 575 1HB PRO 575 15.966 19.615 -3.024 416 HB3 PRO 575 2HB PRO 575 15.724 18.847 -1.450 417 HG2 PRO 575 1HG PRO 575 17.516 18.026 -3.703 418 HG3 PRO 575 2HG PRO 575 17.852 18.061 -1.962 419 HD2 PRO 575 1HD PRO 575 17.223 15.780 -3.280 420 HD3 PRO 575 2HD PRO 575 16.769 16.061 -1.587 421 H THR 576 H THR 576 15.274 16.570 -5.208 422 HA THR 576 HA THR 576 14.501 18.760 -6.992 423 HB THR 576 HB THR 576 15.504 17.094 -8.746 424 HG1 THR 576 HG1 THR 576 17.248 15.887 -7.607 425 HG21 THR 576 3HG2 THR 576 16.790 18.969 -6.871 426 HG22 THR 576 1HG2 THR 576 16.809 18.937 -8.634 427 HG23 THR 576 2HG2 THR 576 17.884 17.878 -7.721 428 H LEU 577 H LEU 577 14.077 15.223 -6.780 429 HA LEU 577 HA LEU 577 11.773 15.368 -8.545 430 HB2 LEU 577 1HB LEU 577 13.141 13.045 -7.200 431 HB3 LEU 577 2HB LEU 577 11.754 12.893 -8.277 432 HG LEU 577 HG LEU 577 13.623 12.341 -9.583 433 HD11 LEU 577 1HD1 LEU 577 13.605 15.151 -10.436 434 HD12 LEU 577 2HD1 LEU 577 12.016 14.405 -10.276 435 HD13 LEU 577 3HD1 LEU 577 13.225 13.684 -11.338 436 HD21 LEU 577 3HD2 LEU 577 15.061 13.858 -7.785 437 HD22 LEU 577 1HD2 LEU 577 15.206 14.762 -9.293 438 HD23 LEU 577 2HD2 LEU 577 15.701 13.070 -9.228 439 H ALA 578 H ALA 578 12.083 16.179 -5.499 440 HA ALA 578 HA ALA 578 10.413 14.696 -3.902 441 HB1 ALA 578 3HB ALA 578 9.770 17.248 -3.155 442 HB2 ALA 578 1HB ALA 578 11.186 16.349 -2.610 443 HB3 ALA 578 2HB ALA 578 11.321 17.471 -3.964 444 H GLY 579 H GLY 579 9.541 16.984 -6.431 445 HA2 GLY 579 1HA GLY 579 6.798 17.212 -5.844 446 HA3 GLY 579 2HA GLY 579 7.529 17.474 -7.421 447 H LYS 580 H LYS 580 8.125 15.402 -8.606 448 HA LYS 580 HA LYS 580 5.863 13.941 -9.188 449 HB2 LYS 580 1HB LYS 580 8.752 13.643 -9.729 450 HB3 LYS 580 2HB LYS 580 7.799 12.172 -9.884 451 HG2 LYS 580 1HG LYS 580 6.724 12.899 -11.730 452 HG3 LYS 580 2HG LYS 580 6.703 14.580 -11.191 453 HD2 LYS 580 1HD LYS 580 8.335 14.947 -12.667 454 HD3 LYS 580 2HD LYS 580 9.391 14.034 -11.587 455 HE2 LYS 580 1HE LYS 580 8.873 11.983 -12.780 456 HE3 LYS 580 2HE LYS 580 7.744 12.849 -13.820 457 HZ1 LYS 580 3HZ LYS 580 10.438 13.917 -13.745 458 HZ2 LYS 580 1HZ LYS 580 9.398 13.690 -15.060 459 HZ3 LYS 580 2HZ LYS 580 10.290 12.388 -14.454 460 H ILE 581 H ILE 581 8.453 13.161 -6.909 461 HA ILE 581 HA ILE 581 7.724 10.569 -6.242 462 HB ILE 581 HB ILE 581 8.927 12.712 -4.491 463 HG12 ILE 581 1HG1 ILE 581 10.354 10.338 -5.646 464 HG13 ILE 581 2HG1 ILE 581 10.095 11.775 -6.628 465 HG21 ILE 581 1HG2 ILE 581 9.671 10.819 -3.059 466 HG22 ILE 581 2HG2 ILE 581 7.928 11.077 -3.051 467 HG23 ILE 581 3HG2 ILE 581 8.619 9.757 -3.993 468 HD11 ILE 581 3HD1 ILE 581 11.201 13.072 -4.756 469 HD12 ILE 581 1HD1 ILE 581 11.691 11.508 -4.104 470 HD13 ILE 581 2HD1 ILE 581 12.236 12.006 -5.707 471 H THR 582 H THR 582 6.863 13.516 -4.420 472 HA THR 582 HA THR 582 5.038 12.298 -2.693 473 HB THR 582 HB THR 582 6.049 14.787 -2.840 474 HG1 THR 582 HG1 THR 582 3.552 14.239 -1.586 475 HG21 THR 582 3HG2 THR 582 4.499 15.301 -4.758 476 HG22 THR 582 1HG2 THR 582 4.389 16.407 -3.389 477 HG23 THR 582 2HG2 THR 582 3.161 15.162 -3.619 478 H GLY 583 H GLY 583 4.671 13.437 -5.973 479 HA2 GLY 583 1HA GLY 583 1.863 13.603 -6.075 480 HA3 GLY 583 2HA GLY 583 2.919 13.328 -7.452 481 H MET 584 H MET 584 3.943 10.957 -7.264 482 HA MET 584 HA MET 584 1.822 9.184 -7.771 483 HB2 MET 584 1HB MET 584 4.686 8.468 -7.121 484 HB3 MET 584 2HB MET 584 3.522 7.465 -7.976 485 HG2 MET 584 1HG MET 584 3.578 8.822 -9.881 486 HG3 MET 584 2HG MET 584 4.347 10.150 -9.015 487 HE1 MET 584 3HE MET 584 7.062 10.440 -8.940 488 HE2 MET 584 1HE MET 584 6.584 9.446 -7.564 489 HE3 MET 584 2HE MET 584 7.974 8.982 -8.546 490 H LEU 585 H LEU 585 3.948 9.552 -4.959 491 HA LEU 585 HA LEU 585 2.987 7.362 -3.490 492 HB2 LEU 585 1HB LEU 585 4.457 9.862 -2.857 493 HB3 LEU 585 2HB LEU 585 3.730 8.977 -1.518 494 HG LEU 585 HG LEU 585 5.077 7.054 -1.965 495 HD11 LEU 585 1HD1 LEU 585 5.562 8.427 -4.543 496 HD12 LEU 585 2HD1 LEU 585 5.333 6.714 -4.193 497 HD13 LEU 585 3HD1 LEU 585 6.887 7.481 -3.865 498 HD21 LEU 585 3HD2 LEU 585 6.447 8.272 -0.653 499 HD22 LEU 585 1HD2 LEU 585 6.342 9.699 -1.684 500 HD23 LEU 585 2HD2 LEU 585 7.421 8.374 -2.121 501 H LEU 586 H LEU 586 1.740 10.585 -3.948 502 HA LEU 586 HA LEU 586 -0.167 10.394 -1.793 503 HB2 LEU 586 1HB LEU 586 0.646 12.566 -2.301 504 HB3 LEU 586 2HB LEU 586 0.260 12.380 -4.010 505 HG LEU 586 HG LEU 586 -2.003 12.259 -2.101 506 HD11 LEU 586 1HD1 LEU 586 -1.722 14.968 -2.705 507 HD12 LEU 586 2HD1 LEU 586 -0.140 14.451 -2.123 508 HD13 LEU 586 3HD1 LEU 586 -1.571 14.203 -1.124 509 HD21 LEU 586 3HD2 LEU 586 -2.719 13.917 -4.087 510 HD22 LEU 586 1HD2 LEU 586 -2.849 12.161 -4.193 511 HD23 LEU 586 2HD2 LEU 586 -1.466 12.987 -4.910 512 H GLU 587 H GLU 587 -0.015 9.463 -5.085 513 HA GLU 587 HA GLU 587 -2.844 9.488 -5.577 514 HB2 GLU 587 1HB GLU 587 -1.003 9.640 -7.332 515 HB3 GLU 587 2HB GLU 587 -0.776 7.912 -7.102 516 HG2 GLU 587 1HG GLU 587 -2.184 8.389 -9.030 517 HG3 GLU 587 2HG GLU 587 -3.059 7.490 -7.793 518 H ILE 588 H ILE 588 -0.463 6.858 -5.194 519 HA ILE 588 HA ILE 588 -1.915 4.630 -5.259 520 HB ILE 588 HB ILE 588 -0.603 4.048 -2.970 521 HG12 ILE 588 1HG1 ILE 588 1.192 6.103 -4.222 522 HG13 ILE 588 2HG1 ILE 588 0.046 6.573 -2.972 523 HG21 ILE 588 1HG2 ILE 588 -0.142 3.814 -5.788 524 HG22 ILE 588 2HG2 ILE 588 1.391 4.029 -4.945 525 HG23 ILE 588 3HG2 ILE 588 0.311 2.712 -4.488 526 HD11 ILE 588 3HD1 ILE 588 1.070 5.054 -1.409 527 HD12 ILE 588 1HD1 ILE 588 2.157 4.453 -2.660 528 HD13 ILE 588 2HD1 ILE 588 2.295 6.119 -2.098 529 H ASP 589 H ASP 589 -1.609 6.419 -2.185 530 HA ASP 589 HA ASP 589 -4.298 6.549 -1.552 531 HB2 ASP 589 1HB ASP 589 -3.292 3.888 -1.312 532 HB3 ASP 589 2HB ASP 589 -3.639 4.496 0.305 533 H ASN 590 H ASN 590 -4.152 8.281 -0.295 534 HA ASN 590 HA ASN 590 -1.957 9.130 1.147 535 HB2 ASN 590 1HB ASN 590 -4.851 9.687 1.831 536 HB3 ASN 590 2HB ASN 590 -3.461 10.662 2.298 537 HD21 ASN 590 2HD2 ASN 590 -5.726 11.572 0.865 538 HD22 ASN 590 1HD2 ASN 590 -5.187 12.094 -0.692 539 H SER 591 H SER 591 -4.734 7.239 2.290 540 HA SER 591 HA SER 591 -4.171 7.114 4.982 541 HB2 SER 591 1HB SER 591 -5.631 5.416 3.062 542 HB3 SER 591 2HB SER 591 -5.102 4.592 4.529 543 HG SER 591 HG SER 591 -6.867 6.760 4.239 544 H GLU 592 H GLU 592 -2.896 5.048 2.395 545 HA GLU 592 HA GLU 592 -1.404 3.312 4.006 546 HB2 GLU 592 1HB GLU 592 -1.927 3.019 1.561 547 HB3 GLU 592 2HB GLU 592 -0.673 4.202 1.215 548 HG2 GLU 592 1HG GLU 592 0.491 2.261 0.945 549 HG3 GLU 592 2HG GLU 592 0.816 2.598 2.645 550 H LEU 593 H LEU 593 -0.608 6.453 2.618 551 HA LEU 593 HA LEU 593 2.135 6.447 3.277 552 HB2 LEU 593 1HB LEU 593 0.553 8.973 3.233 553 HB3 LEU 593 2HB LEU 593 2.170 8.653 2.610 554 HG LEU 593 HG LEU 593 -0.454 7.860 1.353 555 HD11 LEU 593 1HD1 LEU 593 -0.230 9.631 0.009 556 HD12 LEU 593 2HD1 LEU 593 1.508 9.392 -0.174 557 HD13 LEU 593 3HD1 LEU 593 0.879 10.244 1.237 558 HD21 LEU 593 3HD2 LEU 593 2.284 7.369 0.216 559 HD22 LEU 593 1HD2 LEU 593 0.732 6.747 -0.345 560 HD23 LEU 593 2HD2 LEU 593 1.423 6.157 1.167 561 H LEU 594 H LEU 594 -0.743 7.456 5.041 562 HA LEU 594 HA LEU 594 0.552 8.738 7.184 563 HB2 LEU 594 1HB LEU 594 -2.132 7.589 6.690 564 HB3 LEU 594 2HB LEU 594 -1.670 7.845 8.371 565 HG LEU 594 HG LEU 594 -1.672 10.001 6.261 566 HD11 LEU 594 1HD1 LEU 594 -3.668 10.766 7.747 567 HD12 LEU 594 2HD1 LEU 594 -3.773 9.055 8.159 568 HD13 LEU 594 3HD1 LEU 594 -3.923 9.568 6.478 569 HD21 LEU 594 3HD2 LEU 594 -1.833 10.646 9.125 570 HD22 LEU 594 1HD2 LEU 594 -0.918 11.422 7.832 571 HD23 LEU 594 2HD2 LEU 594 -0.298 9.957 8.593 572 H HIS 595 H HIS 595 0.374 5.455 6.324 573 HA HIS 595 HA HIS 595 1.158 4.626 9.039 574 HB2 HIS 595 1HB HIS 595 -0.870 3.586 7.665 575 HB3 HIS 595 2HB HIS 595 0.422 2.615 6.965 576 HD1 HIS 595 HD1 HIS 595 2.009 2.567 9.807 577 HD2 HIS 595 HD2 HIS 595 -1.893 1.363 9.039 578 HE1 HIS 595 HE1 HIS 595 1.438 0.933 11.632 579 H MET 596 H MET 596 2.255 5.079 5.853 580 HA MET 596 HA MET 596 4.465 3.200 6.106 581 HB2 MET 596 1HB MET 596 3.441 4.963 3.905 582 HB3 MET 596 2HB MET 596 5.066 4.298 3.820 583 HG2 MET 596 1HG MET 596 3.948 2.029 4.220 584 HG3 MET 596 2HG MET 596 2.446 2.854 3.810 585 HE1 MET 596 3HE MET 596 4.238 4.976 1.677 586 HE2 MET 596 1HE MET 596 3.556 4.265 0.214 587 HE3 MET 596 2HE MET 596 2.523 4.568 1.611 588 H LEU 597 H LEU 597 3.844 6.656 6.170 589 HA LEU 597 HA LEU 597 6.517 7.538 6.082 590 HB2 LEU 597 1HB LEU 597 5.698 9.627 6.505 591 HB3 LEU 597 2HB LEU 597 4.248 8.826 5.902 592 HG LEU 597 HG LEU 597 3.558 10.108 7.751 593 HD11 LEU 597 1HD1 LEU 597 2.362 8.501 8.726 594 HD12 LEU 597 2HD1 LEU 597 3.797 7.699 9.365 595 HD13 LEU 597 3HD1 LEU 597 3.267 7.375 7.714 596 HD21 LEU 597 3HD2 LEU 597 6.139 9.956 8.607 597 HD22 LEU 597 1HD2 LEU 597 5.313 8.930 9.780 598 HD23 LEU 597 2HD2 LEU 597 4.797 10.601 9.554 599 H GLU 598 H GLU 598 4.838 5.840 8.466 600 HA GLU 598 HA GLU 598 6.495 6.842 10.652 601 HB2 GLU 598 1HB GLU 598 5.091 5.503 12.110 602 HB3 GLU 598 2HB GLU 598 4.088 6.488 11.055 603 HG2 GLU 598 1HG GLU 598 3.269 4.698 9.922 604 HG3 GLU 598 2HG GLU 598 4.729 3.739 10.158 605 H SER 599 H SER 599 7.697 5.367 8.461 606 HA SER 599 HA SER 599 9.191 3.471 10.015 607 HB2 SER 599 1HB SER 599 7.022 2.549 8.306 608 HB3 SER 599 2HB SER 599 8.573 1.857 7.830 609 HG SER 599 HG SER 599 7.415 0.656 9.471 610 HA PRO 600 HA PRO 600 12.246 4.969 7.205 611 HB2 PRO 600 1HB PRO 600 14.217 3.205 7.816 612 HB3 PRO 600 2HB PRO 600 13.761 4.542 8.878 613 HG2 PRO 600 1HG PRO 600 12.983 1.655 9.026 614 HG3 PRO 600 2HG PRO 600 13.470 2.751 10.332 615 HD2 PRO 600 1HD PRO 600 10.880 2.137 9.834 616 HD3 PRO 600 2HD PRO 600 11.382 3.717 10.469 617 H GLU 601 H GLU 601 11.944 1.416 7.408 618 HA GLU 601 HA GLU 601 13.015 0.855 4.883 619 HB2 GLU 601 1HB GLU 601 11.258 -0.622 6.794 620 HB3 GLU 601 2HB GLU 601 11.458 -1.260 5.168 621 HG2 GLU 601 1HG GLU 601 13.965 -1.080 5.590 622 HG3 GLU 601 2HG GLU 601 13.539 -0.863 7.286 623 H SER 602 H SER 602 9.978 2.152 5.788 624 HA SER 602 HA SER 602 8.696 1.422 3.276 625 HB2 SER 602 1HB SER 602 7.434 1.396 5.445 626 HB3 SER 602 2HB SER 602 7.607 3.150 5.509 627 HG SER 602 HG SER 602 6.503 1.896 3.241 628 H LEU 603 H LEU 603 9.400 4.433 5.054 629 HA LEU 603 HA LEU 603 8.708 6.252 3.099 630 HB2 LEU 603 1HB LEU 603 9.323 6.839 5.402 631 HB3 LEU 603 2HB LEU 603 11.005 6.457 5.042 632 HG LEU 603 HG LEU 603 10.274 8.924 5.084 633 HD11 LEU 603 1HD1 LEU 603 12.373 7.726 4.026 634 HD12 LEU 603 2HD1 LEU 603 12.064 9.443 3.769 635 HD13 LEU 603 3HD1 LEU 603 11.632 8.274 2.522 636 HD21 LEU 603 3HD2 LEU 603 9.544 8.521 2.229 637 HD22 LEU 603 1HD2 LEU 603 9.088 9.810 3.344 638 HD23 LEU 603 2HD2 LEU 603 8.315 8.229 3.461 639 H ARG 604 H ARG 604 12.037 5.133 3.745 640 HA ARG 604 HA ARG 604 13.226 6.257 1.504 641 HB2 ARG 604 1HB ARG 604 13.915 3.829 3.143 642 HB3 ARG 604 2HB ARG 604 14.912 4.335 1.785 643 HG2 ARG 604 1HG ARG 604 15.289 6.493 2.850 644 HG3 ARG 604 2HG ARG 604 14.266 6.009 4.204 645 HD2 ARG 604 1HD ARG 604 16.446 5.625 4.958 646 HD3 ARG 604 2HD ARG 604 15.865 4.033 4.471 647 HE ARG 604 HE ARG 604 17.470 3.989 2.843 648 HH11 ARG 604 1HH1 ARG 604 17.073 7.264 3.956 649 HH12 ARG 604 2HH1 ARG 604 18.424 7.872 3.057 650 HH21 ARG 604 1HH2 ARG 604 19.251 4.777 1.655 651 HH22 ARG 604 2HH2 ARG 604 19.661 6.457 1.748 652 H SER 605 H SER 605 11.483 3.228 1.851 653 HA SER 605 HA SER 605 12.205 2.068 -0.609 654 HB2 SER 605 1HB SER 605 11.186 0.508 0.729 655 HB3 SER 605 2HB SER 605 10.024 1.666 1.377 656 HG SER 605 HG SER 605 8.734 1.354 -0.319 657 H LYS 606 H LYS 606 9.354 3.998 0.292 658 HA LYS 606 HA LYS 606 8.136 4.024 -2.226 659 HB2 LYS 606 1HB LYS 606 8.037 6.044 0.019 660 HB3 LYS 606 2HB LYS 606 6.994 6.101 -1.396 661 HG2 LYS 606 1HG LYS 606 7.104 3.902 0.658 662 HG3 LYS 606 2HG LYS 606 5.826 5.104 0.465 663 HD2 LYS 606 1HD LYS 606 6.607 2.989 -1.542 664 HD3 LYS 606 2HD LYS 606 5.164 2.981 -0.525 665 HE2 LYS 606 1HE LYS 606 4.392 5.033 -1.617 666 HE3 LYS 606 2HE LYS 606 5.833 5.035 -2.632 667 HZ1 LYS 606 3HZ LYS 606 3.761 2.907 -2.600 668 HZ2 LYS 606 1HZ LYS 606 5.129 2.946 -3.595 669 HZ3 LYS 606 2HZ LYS 606 3.914 4.107 -3.782 670 H VAL 607 H VAL 607 10.138 6.566 -0.719 671 HA VAL 607 HA VAL 607 10.281 8.320 -2.837 672 HB VAL 607 HB VAL 607 12.488 7.669 -0.878 673 HG11 VAL 607 1HG1 VAL 607 12.550 10.375 -1.654 674 HG12 VAL 607 2HG1 VAL 607 13.742 9.120 -1.998 675 HG13 VAL 607 3HG1 VAL 607 12.429 9.426 -3.136 676 HG21 VAL 607 3HG2 VAL 607 10.023 9.317 -0.729 677 HG22 VAL 607 1HG2 VAL 607 10.834 8.372 0.521 678 HG23 VAL 607 2HG2 VAL 607 11.478 9.944 0.046 679 H ASP 608 H ASP 608 12.528 5.648 -2.127 680 HA ASP 608 HA ASP 608 14.209 5.976 -4.323 681 HB2 ASP 608 1HB ASP 608 14.807 4.503 -2.495 682 HB3 ASP 608 2HB ASP 608 13.438 3.452 -2.846 683 H GLU 609 H GLU 609 11.380 3.833 -3.997 684 HA GLU 609 HA GLU 609 11.401 2.734 -6.538 685 HB2 GLU 609 1HB GLU 609 9.762 2.543 -4.362 686 HB3 GLU 609 2HB GLU 609 8.721 3.378 -5.507 687 HG2 GLU 609 1HG GLU 609 8.549 1.587 -6.875 688 HG3 GLU 609 2HG GLU 609 10.178 1.016 -6.519 689 H ALA 610 H ALA 610 9.575 5.596 -5.449 690 HA ALA 610 HA ALA 610 8.414 6.328 -7.834 691 HB1 ALA 610 3HB ALA 610 7.637 7.880 -6.450 692 HB2 ALA 610 1HB ALA 610 8.948 7.583 -5.308 693 HB3 ALA 610 2HB ALA 610 9.168 8.739 -6.622 694 H VAL 611 H VAL 611 11.483 7.650 -6.573 695 HA VAL 611 HA VAL 611 12.243 9.143 -8.751 696 HB VAL 611 HB VAL 611 14.089 7.520 -6.992 697 HG11 VAL 611 1HG1 VAL 611 15.267 9.949 -7.768 698 HG12 VAL 611 2HG1 VAL 611 15.732 8.318 -8.256 699 HG13 VAL 611 3HG1 VAL 611 14.587 9.239 -9.232 700 HG21 VAL 611 3HG2 VAL 611 13.861 10.359 -6.428 701 HG22 VAL 611 1HG2 VAL 611 12.326 9.511 -6.236 702 HG23 VAL 611 2HG2 VAL 611 13.747 8.978 -5.337 703 H ALA 612 H ALA 612 12.752 5.681 -8.210 704 HA ALA 612 HA ALA 612 14.327 5.189 -10.489 705 HB1 ALA 612 3HB ALA 612 13.276 2.805 -10.178 706 HB2 ALA 612 1HB ALA 612 14.414 3.452 -8.996 707 HB3 ALA 612 2HB ALA 612 12.681 3.500 -8.669 708 H VAL 613 H VAL 613 10.848 5.331 -10.010 709 HA VAL 613 HA VAL 613 10.108 4.222 -12.511 710 HB VAL 613 HB VAL 613 8.587 6.101 -10.700 711 HG11 VAL 613 1HG1 VAL 613 7.054 6.267 -12.296 712 HG12 VAL 613 2HG1 VAL 613 8.017 5.243 -13.362 713 HG13 VAL 613 3HG1 VAL 613 6.848 4.517 -12.258 714 HG21 VAL 613 3HG2 VAL 613 7.411 3.608 -10.610 715 HG22 VAL 613 1HG2 VAL 613 9.137 3.247 -10.643 716 HG23 VAL 613 2HG2 VAL 613 8.480 4.296 -9.387 717 H LEU 614 H LEU 614 10.642 7.541 -11.403 718 HA LEU 614 HA LEU 614 9.806 8.841 -13.752 719 HB2 LEU 614 1HB LEU 614 11.985 9.864 -11.963 720 HB3 LEU 614 2HB LEU 614 10.794 10.783 -12.881 721 HG LEU 614 HG LEU 614 10.366 9.228 -10.338 722 HD11 LEU 614 1HD1 LEU 614 9.613 11.412 -9.505 723 HD12 LEU 614 2HD1 LEU 614 10.025 12.136 -11.060 724 HD13 LEU 614 3HD1 LEU 614 11.292 11.447 -10.044 725 HD21 LEU 614 3HD2 LEU 614 8.452 10.057 -12.432 726 HD22 LEU 614 1HD2 LEU 614 7.992 10.389 -10.762 727 HD23 LEU 614 2HD2 LEU 614 8.360 8.739 -11.263 728 H GLN 615 H GLN 615 12.617 7.019 -13.043 729 HA GLN 615 HA GLN 615 14.568 8.137 -14.637 730 HB2 GLN 615 1HB GLN 615 15.707 6.173 -14.387 731 HB3 GLN 615 2HB GLN 615 14.490 5.942 -13.140 732 HG2 GLN 615 1HG GLN 615 13.124 4.731 -14.893 733 HG3 GLN 615 2HG GLN 615 14.579 4.748 -15.890 734 HE21 GLN 615 2HE2 GLN 615 16.558 4.242 -14.158 735 HE22 GLN 615 1HE2 GLN 615 16.357 2.690 -13.426 736 H ALA 616 H ALA 616 11.716 6.369 -15.575 737 HA ALA 616 HA ALA 616 12.537 5.914 -18.283 738 HB1 ALA 616 3HB ALA 616 10.938 4.389 -17.860 739 HB2 ALA 616 1HB ALA 616 10.141 5.404 -16.657 740 HB3 ALA 616 2HB ALA 616 9.844 5.673 -18.375 741 H HIS 617 H HIS 617 10.515 8.299 -16.628 742 HA HIS 617 HA HIS 617 9.801 9.662 -19.052 743 HB2 HIS 617 1HB HIS 617 8.491 9.589 -16.826 744 HB3 HIS 617 2HB HIS 617 9.602 10.848 -16.294 745 HD1 HIS 617 HD1 HIS 617 9.562 12.093 -19.345 746 HD2 HIS 617 HD2 HIS 617 6.384 11.479 -16.741 747 HE1 HIS 617 HE1 HIS 617 7.768 13.692 -20.086 748 H GLN 618 H GLN 618 11.548 10.883 -16.192 749 HA GLN 618 HA GLN 618 13.816 11.758 -17.615 750 HB2 GLN 618 1HB GLN 618 13.471 14.095 -17.811 751 HB3 GLN 618 2HB GLN 618 12.047 13.335 -18.511 752 HG2 GLN 618 1HG GLN 618 10.795 13.761 -16.474 753 HG3 GLN 618 2HG GLN 618 12.224 14.479 -15.732 754 HE21 GLN 618 2HE2 GLN 618 11.482 16.513 -15.450 755 HE22 GLN 618 1HE2 GLN 618 11.033 17.570 -16.741 756 H ALA 619 H ALA 619 15.400 12.610 -16.264 757 HA ALA 619 HA ALA 619 14.903 12.201 -13.431 758 HB1 ALA 619 3HB ALA 619 16.898 11.207 -13.992 759 HB2 ALA 619 1HB ALA 619 17.340 12.482 -15.127 760 HB3 ALA 619 2HB ALA 619 17.456 12.768 -13.390 761 H LYS 620 H LYS 620 16.716 14.715 -15.197 762 HA LYS 620 HA LYS 620 15.463 16.726 -13.449 763 HB2 LYS 620 1HB LYS 620 17.964 16.048 -13.012 764 HB3 LYS 620 2HB LYS 620 18.278 17.074 -14.406 765 HG2 LYS 620 1HG LYS 620 16.831 18.805 -13.091 766 HG3 LYS 620 2HG LYS 620 17.264 17.806 -11.702 767 HD2 LYS 620 1HD LYS 620 19.492 18.340 -11.840 768 HD3 LYS 620 2HD LYS 620 19.419 18.656 -13.575 769 HE2 LYS 620 1HE LYS 620 18.201 20.730 -13.149 770 HE3 LYS 620 2HE LYS 620 18.247 20.409 -11.416 771 HZ1 LYS 620 3HZ LYS 620 20.298 21.215 -11.277 772 HZ2 LYS 620 1HZ LYS 620 20.099 21.814 -12.847 773 HZ3 LYS 620 2HZ LYS 620 20.845 20.316 -12.602 774 H GLU 621 H GLU 621 14.835 15.850 -16.188 775 HA GLU 621 HA GLU 621 14.285 16.739 -18.209 776 HB2 GLU 621 1HB GLU 621 13.358 18.466 -16.489 777 HB3 GLU 621 2HB GLU 621 14.669 19.485 -17.068 778 HG2 GLU 621 1HG GLU 621 13.790 19.198 -19.375 779 HG3 GLU 621 2HG GLU 621 12.411 18.340 -18.690 780 H ALA 622 H ALA 622 16.986 16.079 -17.874 781 HA ALA 622 HA ALA 622 18.294 18.131 -19.539 782 HB1 ALA 622 3HB ALA 622 20.212 16.451 -18.234 783 HB2 ALA 622 1HB ALA 622 20.015 18.201 -18.141 784 HB3 ALA 622 2HB ALA 622 19.120 17.152 -17.040 785 H ALA 623 H ALA 623 16.693 15.714 -20.257 786 HA ALA 623 HA ALA 623 18.747 14.392 -21.904 787 HB1 ALA 623 3HB ALA 623 16.711 12.530 -21.638 788 HB2 ALA 623 1HB ALA 623 18.285 12.493 -20.841 789 HB3 ALA 623 2HB ALA 623 16.896 13.207 -20.020 Start of MODEL 2 1 H1 ALA 64 1H ALA 64 0.142 -0.655 -0.476 2 HA ALA 64 HA ALA 64 0.243 0.420 -3.117 3 HB1 ALA 64 3HB ALA 64 2.111 -0.305 -1.082 4 HB2 ALA 64 1HB ALA 64 2.608 -1.026 -2.613 5 HB3 ALA 64 2HB ALA 64 2.352 0.716 -2.500 6 H PHE 65 H PHE 65 1.837 -1.081 -4.627 7 HA PHE 65 HA PHE 65 0.443 -3.659 -4.920 8 HB2 PHE 65 1HB PHE 65 1.026 -3.177 -7.471 9 HB3 PHE 65 2HB PHE 65 -0.460 -2.586 -6.734 10 HD1 PHE 65 HD2 PHE 65 3.001 -1.612 -7.623 11 HD2 PHE 65 HD1 PHE 65 -0.928 -0.299 -6.644 12 HE1 PHE 65 HE2 PHE 65 3.622 0.690 -8.230 13 HE2 PHE 65 HE1 PHE 65 -0.313 2.005 -7.251 14 HZ PHE 65 HZ PHE 65 1.965 2.502 -8.044 15 H SER 66 H SER 66 3.388 -1.806 -5.491 16 HA SER 66 HA SER 66 5.126 -3.875 -4.806 17 HB2 SER 66 1HB SER 66 4.062 -4.253 -7.382 18 HB3 SER 66 2HB SER 66 5.702 -3.651 -7.628 19 HG SER 66 HG SER 66 5.925 -5.813 -7.405 20 H ARG 67 H ARG 67 7.365 -3.368 -6.268 21 HA ARG 67 HA ARG 67 8.014 -0.687 -5.398 22 HB2 ARG 67 1HB ARG 67 9.754 -2.777 -6.720 23 HB3 ARG 67 2HB ARG 67 10.319 -1.287 -5.978 24 HG2 ARG 67 1HG ARG 67 9.527 -2.058 -3.804 25 HG3 ARG 67 2HG ARG 67 8.942 -3.549 -4.545 26 HD2 ARG 67 1HD ARG 67 11.095 -3.912 -3.477 27 HD3 ARG 67 2HD ARG 67 11.229 -4.103 -5.224 28 HE ARG 67 HE ARG 67 12.647 -2.306 -5.278 29 HH11 ARG 67 1HH1 ARG 67 10.997 -2.371 -2.213 30 HH12 ARG 67 2HH1 ARG 67 11.961 -1.109 -1.520 31 HH21 ARG 67 1HH2 ARG 67 13.922 -0.643 -4.377 32 HH22 ARG 67 2HH2 ARG 67 13.623 -0.126 -2.752 33 H GLN 68 H GLN 68 6.562 -1.798 -8.068 34 HA GLN 68 HA GLN 68 7.833 0.218 -9.801 35 HB2 GLN 68 1HB GLN 68 8.286 -1.886 -10.793 36 HB3 GLN 68 2HB GLN 68 6.653 -2.466 -10.490 37 HG2 GLN 68 1HG GLN 68 5.749 -1.094 -12.186 38 HG3 GLN 68 2HG GLN 68 7.245 -0.175 -12.337 39 HE21 GLN 68 2HE2 GLN 68 9.109 -1.283 -13.196 40 HE22 GLN 68 1HE2 GLN 68 8.890 -2.571 -14.326 41 H LEU 69 H LEU 69 6.566 1.943 -9.948 42 HA LEU 69 HA LEU 69 3.654 1.530 -10.132 43 HB2 LEU 69 1HB LEU 69 3.474 3.856 -9.201 44 HB3 LEU 69 2HB LEU 69 4.057 2.624 -8.084 45 HG LEU 69 HG LEU 69 6.378 3.690 -9.143 46 HD11 LEU 69 1HD1 LEU 69 4.358 5.880 -8.694 47 HD12 LEU 69 2HD1 LEU 69 5.227 5.519 -10.186 48 HD13 LEU 69 3HD1 LEU 69 6.103 6.127 -8.782 49 HD21 LEU 69 3HD2 LEU 69 6.849 4.182 -6.967 50 HD22 LEU 69 1HD2 LEU 69 5.474 3.104 -6.727 51 HD23 LEU 69 2HD2 LEU 69 5.247 4.851 -6.653 52 H ASN 70 H ASN 70 2.730 3.849 -10.990 53 HA ASN 70 HA ASN 70 3.959 4.129 -13.635 54 HB2 ASN 70 1HB ASN 70 1.827 5.058 -14.352 55 HB3 ASN 70 2HB ASN 70 1.559 3.527 -13.522 56 HD21 ASN 70 2HD2 ASN 70 -0.166 5.905 -13.975 57 HD22 ASN 70 1HD2 ASN 70 -0.731 6.352 -12.404 58 H VAL 71 H VAL 71 4.794 6.006 -14.369 59 HA VAL 71 HA VAL 71 5.207 8.131 -12.443 60 HB VAL 71 HB VAL 71 7.069 7.354 -13.868 61 HG11 VAL 71 1HG1 VAL 71 7.139 7.679 -16.194 62 HG12 VAL 71 2HG1 VAL 71 5.545 6.988 -15.878 63 HG13 VAL 71 3HG1 VAL 71 5.715 8.719 -16.176 64 HG21 VAL 71 3HG2 VAL 71 7.997 9.478 -14.246 65 HG22 VAL 71 1HG2 VAL 71 6.423 10.199 -14.582 66 HG23 VAL 71 2HG2 VAL 71 6.841 9.720 -12.937 67 H ASN 72 H ASN 72 3.179 7.475 -15.151 68 HA ASN 72 HA ASN 72 2.599 10.160 -15.883 69 HB2 ASN 72 1HB ASN 72 1.493 7.476 -16.503 70 HB3 ASN 72 2HB ASN 72 0.409 8.846 -16.734 71 HD21 ASN 72 2HD2 ASN 72 3.601 7.603 -17.566 72 HD22 ASN 72 1HD2 ASN 72 3.706 8.391 -19.100 73 H ALA 73 H ALA 73 1.802 8.350 -13.171 74 HA ALA 73 HA ALA 73 -0.817 9.072 -12.586 75 HB1 ALA 73 3HB ALA 73 0.750 7.482 -11.331 76 HB2 ALA 73 1HB ALA 73 1.307 8.919 -10.474 77 HB3 ALA 73 2HB ALA 73 -0.387 8.436 -10.379 78 H LYS 74 H LYS 74 -1.766 10.958 -12.212 79 HA LYS 74 HA LYS 74 -0.544 13.425 -12.379 80 HB2 LYS 74 1HB LYS 74 -2.625 14.257 -11.128 81 HB3 LYS 74 2HB LYS 74 -2.874 13.402 -12.645 82 HG2 LYS 74 1HG LYS 74 -3.630 11.469 -11.562 83 HG3 LYS 74 2HG LYS 74 -2.994 11.992 -10.001 84 HD2 LYS 74 1HD LYS 74 -4.639 13.963 -10.238 85 HD3 LYS 74 2HD LYS 74 -5.414 12.974 -11.479 86 HE2 LYS 74 1HE LYS 74 -6.490 12.648 -9.322 87 HE3 LYS 74 2HE LYS 74 -5.698 11.165 -9.853 88 HZ1 LYS 74 3HZ LYS 74 -3.990 12.825 -8.261 89 HZ2 LYS 74 1HZ LYS 74 -4.364 11.184 -8.090 90 HZ3 LYS 74 2HZ LYS 74 -5.387 12.358 -7.429 91 HA PRO 75 HA PRO 75 1.410 14.277 -8.543 92 HB2 PRO 75 1HB PRO 75 0.910 16.928 -8.240 93 HB3 PRO 75 2HB PRO 75 2.046 16.296 -9.437 94 HG2 PRO 75 1HG PRO 75 -0.791 17.178 -9.800 95 HG3 PRO 75 2HG PRO 75 0.619 17.495 -10.827 96 HD2 PRO 75 1HD PRO 75 -1.209 15.585 -11.412 97 HD3 PRO 75 2HD PRO 75 0.508 15.425 -11.835 98 H PHE 76 H PHE 76 -0.967 16.769 -8.063 99 HA PHE 76 HA PHE 76 -2.783 15.319 -6.455 100 HB2 PHE 76 1HB PHE 76 -2.142 16.061 -4.244 101 HB3 PHE 76 2HB PHE 76 -0.786 15.207 -4.973 102 HD1 PHE 76 HD1 PHE 76 0.968 16.702 -6.187 103 HD2 PHE 76 HD2 PHE 76 -1.792 18.120 -3.274 104 HE1 PHE 76 HE1 PHE 76 2.422 18.640 -5.758 105 HE2 PHE 76 HE2 PHE 76 -0.344 20.061 -2.841 106 HZ PHE 76 HZ PHE 76 1.766 20.324 -4.084 107 H VAL 77 H VAL 77 -3.667 17.197 -4.698 108 HA VAL 77 HA VAL 77 -4.409 19.423 -6.479 109 HB VAL 77 HB VAL 77 -5.931 18.248 -4.148 110 HG11 VAL 77 1HG1 VAL 77 -6.624 20.424 -4.050 111 HG12 VAL 77 2HG1 VAL 77 -6.309 20.718 -5.761 112 HG13 VAL 77 3HG1 VAL 77 -7.739 19.810 -5.270 113 HG21 VAL 77 3HG2 VAL 77 -6.494 18.203 -7.113 114 HG22 VAL 77 1HG2 VAL 77 -5.968 16.834 -6.133 115 HG23 VAL 77 2HG2 VAL 77 -7.551 17.561 -5.854 116 HA PRO 78 HA PRO 78 -1.881 21.417 -3.190 117 HB2 PRO 78 1HB PRO 78 -0.834 23.298 -4.844 118 HB3 PRO 78 2HB PRO 78 -0.146 21.679 -4.672 119 HG2 PRO 78 1HG PRO 78 -1.955 22.753 -6.802 120 HG3 PRO 78 2HG PRO 78 -0.524 21.719 -6.967 121 HD2 PRO 78 1HD PRO 78 -3.047 20.740 -7.060 122 HD3 PRO 78 2HD PRO 78 -1.685 19.808 -6.406 123 H ASN 79 H ASN 79 -1.728 23.890 -2.759 124 HA ASN 79 HA ASN 79 -4.376 25.081 -3.263 125 HB2 ASN 79 1HB ASN 79 -3.890 24.327 -0.884 126 HB3 ASN 79 2HB ASN 79 -2.671 25.597 -0.826 127 HD21 ASN 79 2HD2 ASN 79 -3.341 27.377 0.102 128 HD22 ASN 79 1HD2 ASN 79 -4.955 27.994 0.092 129 H VAL 80 H VAL 80 -2.194 25.462 -4.996 130 HA VAL 80 HA VAL 80 -1.416 28.247 -4.426 131 HB VAL 80 HB VAL 80 0.445 27.935 -5.986 132 HG11 VAL 80 1HG1 VAL 80 0.952 25.598 -4.333 133 HG12 VAL 80 2HG1 VAL 80 1.733 27.181 -4.326 134 HG13 VAL 80 3HG1 VAL 80 0.237 26.930 -3.425 135 HG21 VAL 80 3HG2 VAL 80 -0.324 26.349 -7.536 136 HG22 VAL 80 1HG2 VAL 80 0.960 25.525 -6.652 137 HG23 VAL 80 2HG2 VAL 80 -0.729 25.185 -6.275 138 H HIS 81 H HIS 81 -1.779 29.827 -5.934 139 HA HIS 81 HA HIS 81 -3.639 29.121 -8.081 140 HB2 HIS 81 1HB HIS 81 -4.148 31.526 -8.164 141 HB3 HIS 81 2HB HIS 81 -4.360 30.879 -6.539 142 HD1 HIS 81 HD1 HIS 81 -2.519 33.421 -8.452 143 HD2 HIS 81 HD2 HIS 81 -2.286 31.657 -4.698 144 HE1 HIS 81 HE1 HIS 81 -1.008 34.910 -7.103 145 H ALA 82 H ALA 82 -0.942 28.434 -8.480 146 HA ALA 82 HA ALA 82 0.009 30.433 -10.412 147 HB1 ALA 82 3HB ALA 82 1.470 29.433 -8.501 148 HB2 ALA 82 1HB ALA 82 1.624 28.058 -9.595 149 HB3 ALA 82 2HB ALA 82 2.159 29.658 -10.109 150 H1 GLY 541 1H GLY 541 8.846 22.212 20.452 151 HA2 GLY 541 1HA GLY 541 10.692 20.619 20.585 152 HA3 GLY 541 2HA GLY 541 9.520 19.406 21.079 153 H GLN 542 H GLN 542 7.531 19.639 19.266 154 HA GLN 542 HA GLN 542 8.305 19.926 16.585 155 HB2 GLN 542 1HB GLN 542 9.397 17.636 17.706 156 HB3 GLN 542 2HB GLN 542 7.964 17.047 16.874 157 HG2 GLN 542 1HG GLN 542 8.890 18.515 14.909 158 HG3 GLN 542 2HG GLN 542 10.416 18.312 15.768 159 HE21 GLN 542 2HE2 GLN 542 9.172 17.250 13.180 160 HE22 GLN 542 1HE2 GLN 542 9.508 15.556 13.239 161 H GLU 543 H GLU 543 6.657 19.179 15.078 162 HA GLU 543 HA GLU 543 4.167 18.209 16.216 163 HB2 GLU 543 1HB GLU 543 4.322 20.806 16.355 164 HB3 GLU 543 2HB GLU 543 4.041 20.747 14.620 165 HG2 GLU 543 1HG GLU 543 1.904 20.965 15.352 166 HG3 GLU 543 2HG GLU 543 2.033 19.207 15.333 167 HA PRO 544 HA PRO 544 5.172 16.779 11.892 168 HB2 PRO 544 1HB PRO 544 4.938 14.131 12.446 169 HB3 PRO 544 2HB PRO 544 6.448 15.026 12.652 170 HG2 PRO 544 1HG PRO 544 4.407 14.257 14.702 171 HG3 PRO 544 2HG PRO 544 6.176 14.189 14.804 172 HD2 PRO 544 1HD PRO 544 4.728 16.185 15.923 173 HD3 PRO 544 2HD PRO 544 6.361 16.438 15.274 174 H LEU 545 H LEU 545 3.805 15.291 10.523 175 HA LEU 545 HA LEU 545 1.058 15.995 10.835 176 HB2 LEU 545 1HB LEU 545 2.010 15.859 8.635 177 HB3 LEU 545 2HB LEU 545 2.469 14.177 8.891 178 HG LEU 545 HG LEU 545 0.069 13.574 8.958 179 HD11 LEU 545 1HD1 LEU 545 -1.611 15.062 8.861 180 HD12 LEU 545 2HD1 LEU 545 -0.755 16.116 7.736 181 HD13 LEU 545 3HD1 LEU 545 -0.395 16.191 9.460 182 HD21 LEU 545 3HD2 LEU 545 0.951 15.045 6.477 183 HD22 LEU 545 1HD2 LEU 545 -0.328 13.834 6.562 184 HD23 LEU 545 2HD2 LEU 545 1.344 13.375 6.887 185 H THR 546 H THR 546 -0.731 14.594 11.077 186 HA THR 546 HA THR 546 -0.202 11.870 11.987 187 HB THR 546 HB THR 546 -0.134 13.127 14.059 188 HG1 THR 546 HG1 THR 546 -1.140 11.222 14.419 189 HG21 THR 546 3HG2 THR 546 -1.238 15.099 13.969 190 HG22 THR 546 1HG2 THR 546 -2.579 14.145 14.600 191 HG23 THR 546 2HG2 THR 546 -2.471 14.479 12.872 192 H ALA 547 H ALA 547 -2.107 10.533 12.063 193 HA ALA 547 HA ALA 547 -3.803 10.815 9.884 194 HB1 ALA 547 3HB ALA 547 -5.237 9.097 11.161 195 HB2 ALA 547 1HB ALA 547 -3.592 8.651 10.706 196 HB3 ALA 547 2HB ALA 547 -3.948 9.140 12.363 197 H SER 548 H SER 548 -4.084 12.079 13.109 198 HA SER 548 HA SER 548 -6.803 12.532 13.332 199 HB2 SER 548 1HB SER 548 -4.650 14.457 14.232 200 HB3 SER 548 2HB SER 548 -6.266 14.273 14.914 201 HG SER 548 HG SER 548 -4.503 13.193 16.067 202 H MET 549 H MET 549 -4.350 14.593 11.796 203 HA MET 549 HA MET 549 -5.945 16.742 11.095 204 HB2 MET 549 1HB MET 549 -3.619 15.525 9.599 205 HB3 MET 549 2HB MET 549 -4.325 17.090 9.218 206 HG2 MET 549 1HG MET 549 -3.245 16.451 11.941 207 HG3 MET 549 2HG MET 549 -2.225 17.065 10.643 208 HE1 MET 549 3HE MET 549 -1.477 19.009 10.755 209 HE2 MET 549 1HE MET 549 -2.311 20.555 10.921 210 HE3 MET 549 2HE MET 549 -1.771 19.686 12.358 211 H LEU 550 H LEU 550 -5.470 13.675 9.400 212 HA LEU 550 HA LEU 550 -7.407 14.469 7.361 213 HB2 LEU 550 1HB LEU 550 -5.426 12.246 7.624 214 HB3 LEU 550 2HB LEU 550 -6.769 12.100 6.493 215 HG LEU 550 HG LEU 550 -5.929 14.336 5.532 216 HD11 LEU 550 1HD1 LEU 550 -3.609 13.499 7.242 217 HD12 LEU 550 2HD1 LEU 550 -4.396 15.074 7.143 218 HD13 LEU 550 3HD1 LEU 550 -3.402 14.499 5.804 219 HD21 LEU 550 3HD2 LEU 550 -4.743 13.192 3.922 220 HD22 LEU 550 1HD2 LEU 550 -5.683 11.892 4.655 221 HD23 LEU 550 2HD2 LEU 550 -3.988 12.109 5.093 222 H ALA 551 H ALA 551 -8.133 13.884 10.178 223 HA ALA 551 HA ALA 551 -9.785 11.481 9.835 224 HB1 ALA 551 3HB ALA 551 -8.302 11.681 11.843 225 HB2 ALA 551 1HB ALA 551 -9.312 13.024 12.378 226 HB3 ALA 551 2HB ALA 551 -10.006 11.411 12.207 227 H SER 552 H SER 552 -10.065 14.792 11.137 228 HA SER 552 HA SER 552 -12.957 14.681 10.687 229 HB2 SER 552 1HB SER 552 -11.898 15.465 12.898 230 HB3 SER 552 2HB SER 552 -11.472 16.938 12.026 231 HG SER 552 HG SER 552 -13.949 16.021 12.871 232 H ALA 553 H ALA 553 -10.902 14.999 8.550 233 HA ALA 553 HA ALA 553 -11.785 17.607 7.496 234 HB1 ALA 553 3HB ALA 553 -9.441 16.433 6.208 235 HB2 ALA 553 1HB ALA 553 -9.715 18.074 6.793 236 HB3 ALA 553 2HB ALA 553 -9.202 16.812 7.914 237 HA PRO 554 HA PRO 554 -13.691 15.640 4.067 238 HB2 PRO 554 1HB PRO 554 -13.081 17.315 2.019 239 HB3 PRO 554 2HB PRO 554 -14.235 17.733 3.291 240 HG2 PRO 554 1HG PRO 554 -11.361 18.520 3.009 241 HG3 PRO 554 2HG PRO 554 -12.750 19.511 3.491 242 HD2 PRO 554 1HD PRO 554 -11.001 18.483 5.285 243 HD3 PRO 554 2HD PRO 554 -12.720 18.723 5.657 244 HA PRO 555 HA PRO 555 -10.942 13.116 1.743 245 HB2 PRO 555 1HB PRO 555 -12.225 12.858 -0.635 246 HB3 PRO 555 2HB PRO 555 -12.786 12.079 0.848 247 HG2 PRO 555 1HG PRO 555 -13.744 14.604 -0.443 248 HG3 PRO 555 2HG PRO 555 -14.689 13.291 0.284 249 HD2 PRO 555 1HD PRO 555 -14.187 15.614 1.580 250 HD3 PRO 555 2HD PRO 555 -14.348 14.063 2.429 251 H GLN 556 H GLN 556 -11.615 16.296 0.717 252 HA GLN 556 HA GLN 556 -9.710 16.208 -1.490 253 HB2 GLN 556 1HB GLN 556 -11.419 18.470 -0.440 254 HB3 GLN 556 2HB GLN 556 -10.378 18.565 -1.855 255 HG2 GLN 556 1HG GLN 556 -11.713 16.731 -2.876 256 HG3 GLN 556 2HG GLN 556 -12.814 16.837 -1.503 257 HE21 GLN 556 2HE2 GLN 556 -14.604 17.562 -2.504 258 HE22 GLN 556 1HE2 GLN 556 -14.715 19.069 -3.341 259 H GLU 557 H GLU 557 -10.155 17.867 1.618 260 HA GLU 557 HA GLU 557 -7.793 19.361 1.586 261 HB2 GLU 557 1HB GLU 557 -9.531 18.308 3.797 262 HB3 GLU 557 2HB GLU 557 -8.042 19.167 4.163 263 HG2 GLU 557 1HG GLU 557 -8.848 21.113 2.947 264 HG3 GLU 557 2HG GLU 557 -10.332 20.253 2.539 265 H GLN 558 H GLN 558 -8.341 15.998 2.166 266 HA GLN 558 HA GLN 558 -6.140 15.297 3.701 267 HB2 GLN 558 1HB GLN 558 -7.387 13.728 1.437 268 HB3 GLN 558 2HB GLN 558 -6.337 13.065 2.682 269 HG2 GLN 558 1HG GLN 558 -8.296 14.302 4.146 270 HG3 GLN 558 2HG GLN 558 -9.181 13.672 2.758 271 HE21 GLN 558 2HE2 GLN 558 -9.406 12.827 5.480 272 HE22 GLN 558 1HE2 GLN 558 -8.957 11.160 5.536 273 H LYS 559 H LYS 559 -6.273 14.758 0.183 274 HA LYS 559 HA LYS 559 -3.568 14.394 -0.220 275 HB2 LYS 559 1HB LYS 559 -4.046 15.188 -2.591 276 HB3 LYS 559 2HB LYS 559 -5.018 13.847 -2.001 277 HG2 LYS 559 1HG LYS 559 -6.875 15.335 -1.571 278 HG3 LYS 559 2HG LYS 559 -5.900 16.726 -2.053 279 HD2 LYS 559 1HD LYS 559 -5.848 16.040 -4.304 280 HD3 LYS 559 2HD LYS 559 -6.405 14.413 -3.906 281 HE2 LYS 559 1HE LYS 559 -8.532 15.592 -3.052 282 HE3 LYS 559 2HE LYS 559 -7.960 16.976 -3.981 283 HZ1 LYS 559 3HZ LYS 559 -8.811 14.325 -4.954 284 HZ2 LYS 559 1HZ LYS 559 -7.785 15.293 -5.889 285 HZ3 LYS 559 2HZ LYS 559 -9.320 15.857 -5.459 286 H GLN 560 H GLN 560 -5.371 17.378 0.084 287 HA GLN 560 HA GLN 560 -3.427 19.149 -0.910 288 HB2 GLN 560 1HB GLN 560 -5.672 19.500 1.068 289 HB3 GLN 560 2HB GLN 560 -4.631 20.833 0.587 290 HG2 GLN 560 1HG GLN 560 -5.483 20.920 -1.533 291 HG3 GLN 560 2HG GLN 560 -5.954 19.222 -1.531 292 HE21 GLN 560 2HE2 GLN 560 -8.058 19.374 -2.034 293 HE22 GLN 560 1HE2 GLN 560 -9.234 20.224 -1.097 294 H MET 561 H MET 561 -4.287 18.685 2.522 295 HA MET 561 HA MET 561 -1.971 19.901 3.528 296 HB2 MET 561 1HB MET 561 -3.642 17.787 4.895 297 HB3 MET 561 2HB MET 561 -2.598 18.968 5.674 298 HG2 MET 561 1HG MET 561 -4.034 20.759 5.070 299 HG3 MET 561 2HG MET 561 -4.982 19.720 4.009 300 HE1 MET 561 3HE MET 561 -6.121 17.091 6.593 301 HE2 MET 561 1HE MET 561 -7.214 17.911 5.477 302 HE3 MET 561 2HE MET 561 -5.605 17.427 4.940 303 H LEU 562 H LEU 562 -2.769 16.428 3.327 304 HA LEU 562 HA LEU 562 -0.386 15.393 4.251 305 HB2 LEU 562 1HB LEU 562 -2.346 14.029 3.816 306 HB3 LEU 562 2HB LEU 562 -2.178 14.308 2.083 307 HG LEU 562 HG LEU 562 0.093 13.022 3.506 308 HD11 LEU 562 1HD1 LEU 562 -1.056 11.278 4.243 309 HD12 LEU 562 2HD1 LEU 562 -1.623 10.966 2.603 310 HD13 LEU 562 3HD1 LEU 562 -2.560 12.005 3.677 311 HD21 LEU 562 3HD2 LEU 562 -0.951 13.312 0.796 312 HD22 LEU 562 1HD2 LEU 562 -0.451 11.666 1.188 313 HD23 LEU 562 2HD2 LEU 562 0.694 12.999 1.353 314 H GLY 563 H GLY 563 -1.246 15.877 0.817 315 HA2 GLY 563 1HA GLY 563 1.253 15.245 -0.249 316 HA3 GLY 563 2HA GLY 563 0.064 16.283 -1.022 317 H GLU 564 H GLU 564 -0.056 18.493 0.434 318 HA GLU 564 HA GLU 564 2.143 19.985 -0.300 319 HB2 GLU 564 1HB GLU 564 0.045 20.419 1.810 320 HB3 GLU 564 2HB GLU 564 1.322 21.597 1.543 321 HG2 GLU 564 1HG GLU 564 -0.196 20.692 -0.829 322 HG3 GLU 564 2HG GLU 564 -1.036 21.725 0.327 323 H ARG 565 H ARG 565 1.495 18.402 2.799 324 HA ARG 565 HA ARG 565 3.871 19.382 4.051 325 HB2 ARG 565 1HB ARG 565 1.754 17.394 4.748 326 HB3 ARG 565 2HB ARG 565 3.269 17.358 5.640 327 HG2 ARG 565 1HG ARG 565 2.901 19.398 6.623 328 HG3 ARG 565 2HG ARG 565 1.834 19.949 5.329 329 HD2 ARG 565 1HD ARG 565 0.028 18.693 6.129 330 HD3 ARG 565 2HD ARG 565 1.065 17.677 7.130 331 HE ARG 565 HE ARG 565 0.965 19.259 8.786 332 HH11 ARG 565 1HH1 ARG 565 -0.203 20.632 5.807 333 HH12 ARG 565 2HH1 ARG 565 -0.777 22.088 6.551 334 HH21 ARG 565 1HH2 ARG 565 0.214 21.171 9.777 335 HH22 ARG 565 2HH2 ARG 565 -0.538 22.394 8.809 336 H LEU 566 H LEU 566 3.060 16.628 2.094 337 HA LEU 566 HA LEU 566 5.360 15.070 2.794 338 HB2 LEU 566 1HB LEU 566 3.008 14.762 1.194 339 HB3 LEU 566 2HB LEU 566 4.423 14.310 0.245 340 HG LEU 566 HG LEU 566 5.026 12.834 2.283 341 HD11 LEU 566 1HD1 LEU 566 2.185 13.579 2.841 342 HD12 LEU 566 2HD1 LEU 566 3.550 13.455 3.951 343 HD13 LEU 566 3HD1 LEU 566 2.803 11.994 3.307 344 HD21 LEU 566 3HD2 LEU 566 2.965 11.280 1.340 345 HD22 LEU 566 1HD2 LEU 566 4.564 11.429 0.610 346 HD23 LEU 566 2HD2 LEU 566 3.231 12.425 0.024 347 H PHE 567 H PHE 567 4.678 17.608 0.544 348 HA PHE 567 HA PHE 567 6.533 17.225 -1.449 349 HB2 PHE 567 1HB PHE 567 4.910 19.334 -0.581 350 HB3 PHE 567 2HB PHE 567 6.542 19.994 -0.595 351 HD1 PHE 567 HD2 PHE 567 7.895 19.071 -2.811 352 HD2 PHE 567 HD1 PHE 567 3.711 19.775 -2.472 353 HE1 PHE 567 HE2 PHE 567 7.752 19.372 -5.249 354 HE2 PHE 567 HE1 PHE 567 3.561 20.076 -4.909 355 HZ PHE 567 HZ PHE 567 5.583 19.877 -6.301 356 HA PRO 568 HA PRO 568 9.919 19.413 1.215 357 HB2 PRO 568 1HB PRO 568 9.365 19.822 3.841 358 HB3 PRO 568 2HB PRO 568 8.978 21.001 2.582 359 HG2 PRO 568 1HG PRO 568 7.198 18.993 3.909 360 HG3 PRO 568 2HG PRO 568 6.868 20.689 3.508 361 HD2 PRO 568 1HD PRO 568 5.971 18.632 1.992 362 HD3 PRO 568 2HD PRO 568 6.408 20.209 1.301 363 H LEU 569 H LEU 569 7.909 17.149 3.074 364 HA LEU 569 HA LEU 569 9.855 15.928 4.605 365 HB2 LEU 569 1HB LEU 569 7.260 15.580 4.425 366 HB3 LEU 569 2HB LEU 569 7.724 14.260 3.354 367 HG LEU 569 HG LEU 569 7.296 13.483 5.634 368 HD11 LEU 569 1HD1 LEU 569 9.161 12.581 4.053 369 HD12 LEU 569 2HD1 LEU 569 9.069 12.020 5.722 370 HD13 LEU 569 3HD1 LEU 569 10.248 13.251 5.270 371 HD21 LEU 569 3HD2 LEU 569 9.736 14.661 6.753 372 HD22 LEU 569 1HD2 LEU 569 8.149 14.418 7.485 373 HD23 LEU 569 2HD2 LEU 569 8.437 15.815 6.448 374 H ILE 570 H ILE 570 8.946 15.286 1.254 375 HA ILE 570 HA ILE 570 10.718 13.053 0.969 376 HB ILE 570 HB ILE 570 9.214 14.715 -1.047 377 HG12 ILE 570 1HG1 ILE 570 8.851 11.794 -0.428 378 HG13 ILE 570 2HG1 ILE 570 8.082 13.030 0.562 379 HG21 ILE 570 1HG2 ILE 570 9.861 12.776 -2.608 380 HG22 ILE 570 2HG2 ILE 570 11.058 14.032 -2.293 381 HG23 ILE 570 3HG2 ILE 570 11.167 12.481 -1.460 382 HD11 ILE 570 3HD1 ILE 570 7.709 13.241 -2.359 383 HD12 ILE 570 1HD1 ILE 570 6.900 11.907 -1.538 384 HD13 ILE 570 2HD1 ILE 570 6.586 13.569 -1.040 385 H GLN 571 H GLN 571 10.908 16.503 0.399 386 HA GLN 571 HA GLN 571 13.170 16.594 -1.233 387 HB2 GLN 571 1HB GLN 571 12.143 18.536 0.836 388 HB3 GLN 571 2HB GLN 571 13.501 18.891 -0.223 389 HG2 GLN 571 1HG GLN 571 12.152 18.877 -2.141 390 HG3 GLN 571 2HG GLN 571 10.820 18.089 -1.297 391 HE21 GLN 571 2HE2 GLN 571 12.833 20.928 -0.601 392 HE22 GLN 571 1HE2 GLN 571 11.514 22.023 -0.389 393 H ALA 572 H ALA 572 12.856 15.731 2.063 394 HA ALA 572 HA ALA 572 15.297 16.461 3.156 395 HB1 ALA 572 3HB ALA 572 14.969 14.711 4.764 396 HB2 ALA 572 1HB ALA 572 13.402 15.430 4.389 397 HB3 ALA 572 2HB ALA 572 13.849 13.873 3.691 398 H MET 573 H MET 573 14.550 13.969 0.844 399 HA MET 573 HA MET 573 17.397 13.214 0.806 400 HB2 MET 573 1HB MET 573 16.605 10.960 -0.017 401 HB3 MET 573 2HB MET 573 16.255 11.319 1.669 402 HG2 MET 573 1HG MET 573 14.048 12.220 0.174 403 HG3 MET 573 2HG MET 573 14.465 10.621 -0.438 404 HE1 MET 573 3HE MET 573 12.755 12.695 1.664 405 HE2 MET 573 1HE MET 573 11.583 11.475 2.162 406 HE3 MET 573 2HE MET 573 12.752 12.100 3.325 407 H HIS 574 H HIS 574 14.432 13.671 -1.046 408 HA HIS 574 HA HIS 574 16.084 14.001 -3.463 409 HB2 HIS 574 1HB HIS 574 13.554 12.483 -3.052 410 HB3 HIS 574 2HB HIS 574 13.762 13.327 -4.583 411 HD1 HIS 574 HD1 HIS 574 15.774 12.540 -6.092 412 HD2 HIS 574 HD2 HIS 574 15.024 10.165 -2.767 413 HE1 HIS 574 HE1 HIS 574 17.025 10.398 -6.501 414 HA PRO 575 HA PRO 575 13.800 17.935 -2.558 415 HB2 PRO 575 1HB PRO 575 15.920 19.551 -3.071 416 HB3 PRO 575 2HB PRO 575 15.628 18.823 -1.487 417 HG2 PRO 575 1HG PRO 575 17.492 17.948 -3.660 418 HG3 PRO 575 2HG PRO 575 17.771 18.027 -1.911 419 HD2 PRO 575 1HD PRO 575 17.186 15.713 -3.189 420 HD3 PRO 575 2HD PRO 575 16.679 16.036 -1.519 421 H THR 576 H THR 576 15.269 16.436 -5.197 422 HA THR 576 HA THR 576 14.611 18.588 -7.066 423 HB THR 576 HB THR 576 15.575 16.831 -8.745 424 HG1 THR 576 HG1 THR 576 17.008 15.378 -7.761 425 HG21 THR 576 3HG2 THR 576 17.080 18.497 -6.763 426 HG22 THR 576 1HG2 THR 576 16.819 18.775 -8.485 427 HG23 THR 576 2HG2 THR 576 17.951 17.531 -7.953 428 H LEU 577 H LEU 577 14.000 15.090 -6.716 429 HA LEU 577 HA LEU 577 11.736 15.292 -8.535 430 HB2 LEU 577 1HB LEU 577 12.994 12.938 -7.137 431 HB3 LEU 577 2HB LEU 577 11.614 12.825 -8.227 432 HG LEU 577 HG LEU 577 13.472 12.175 -9.503 433 HD11 LEU 577 1HD1 LEU 577 13.233 13.544 -11.288 434 HD12 LEU 577 2HD1 LEU 577 13.520 15.007 -10.347 435 HD13 LEU 577 3HD1 LEU 577 11.943 14.220 -10.293 436 HD21 LEU 577 3HD2 LEU 577 14.990 13.517 -7.714 437 HD22 LEU 577 1HD2 LEU 577 15.102 14.592 -9.109 438 HD23 LEU 577 2HD2 LEU 577 15.588 12.902 -9.256 439 H ALA 578 H ALA 578 11.957 16.275 -5.594 440 HA ALA 578 HA ALA 578 10.274 14.868 -3.923 441 HB1 ALA 578 3HB ALA 578 10.148 17.856 -4.025 442 HB2 ALA 578 1HB ALA 578 10.116 16.783 -2.626 443 HB3 ALA 578 2HB ALA 578 11.621 17.035 -3.510 444 H GLY 579 H GLY 579 9.437 17.115 -6.519 445 HA2 GLY 579 1HA GLY 579 6.667 17.255 -5.971 446 HA3 GLY 579 2HA GLY 579 7.429 17.619 -7.512 447 H LYS 580 H LYS 580 8.435 15.309 -8.378 448 HA LYS 580 HA LYS 580 6.182 13.909 -9.313 449 HB2 LYS 580 1HB LYS 580 9.137 13.488 -9.449 450 HB3 LYS 580 2HB LYS 580 8.076 12.169 -9.925 451 HG2 LYS 580 1HG LYS 580 7.371 13.225 -11.801 452 HG3 LYS 580 2HG LYS 580 7.506 14.831 -11.082 453 HD2 LYS 580 1HD LYS 580 9.390 15.077 -12.248 454 HD3 LYS 580 2HD LYS 580 10.119 13.889 -11.166 455 HE2 LYS 580 1HE LYS 580 10.550 12.994 -13.258 456 HE3 LYS 580 2HE LYS 580 9.080 12.148 -12.777 457 HZ1 LYS 580 3HZ LYS 580 8.911 14.633 -14.350 458 HZ2 LYS 580 1HZ LYS 580 7.799 13.363 -14.240 459 HZ3 LYS 580 2HZ LYS 580 9.229 13.162 -15.121 460 H ILE 581 H ILE 581 8.506 13.191 -6.750 461 HA ILE 581 HA ILE 581 7.655 10.583 -6.168 462 HB ILE 581 HB ILE 581 8.853 12.645 -4.314 463 HG12 ILE 581 1HG1 ILE 581 10.327 10.313 -5.473 464 HG13 ILE 581 2HG1 ILE 581 10.070 11.741 -6.469 465 HG21 ILE 581 1HG2 ILE 581 9.481 10.728 -2.909 466 HG22 ILE 581 2HG2 ILE 581 7.733 10.910 -3.044 467 HG23 ILE 581 3HG2 ILE 581 8.564 9.663 -3.974 468 HD11 ILE 581 3HD1 ILE 581 12.167 12.052 -5.507 469 HD12 ILE 581 1HD1 ILE 581 11.088 13.053 -4.536 470 HD13 ILE 581 2HD1 ILE 581 11.627 11.488 -3.926 471 H THR 582 H THR 582 6.873 13.579 -4.390 472 HA THR 582 HA THR 582 4.925 12.485 -2.728 473 HB THR 582 HB THR 582 5.972 14.772 -2.505 474 HG1 THR 582 HG1 THR 582 3.967 15.672 -1.667 475 HG21 THR 582 3HG2 THR 582 4.847 16.639 -3.628 476 HG22 THR 582 1HG2 THR 582 3.855 15.498 -4.535 477 HG23 THR 582 2HG2 THR 582 5.599 15.550 -4.794 478 H GLY 583 H GLY 583 4.702 13.669 -6.024 479 HA2 GLY 583 1HA GLY 583 1.899 13.853 -6.214 480 HA3 GLY 583 2HA GLY 583 2.999 13.607 -7.562 481 H MET 584 H MET 584 4.004 11.227 -7.404 482 HA MET 584 HA MET 584 1.890 9.480 -8.021 483 HB2 MET 584 1HB MET 584 4.721 8.709 -7.301 484 HB3 MET 584 2HB MET 584 3.579 7.766 -8.250 485 HG2 MET 584 1HG MET 584 3.695 9.282 -10.063 486 HG3 MET 584 2HG MET 584 4.566 10.471 -9.098 487 HE1 MET 584 3HE MET 584 7.367 10.333 -8.757 488 HE2 MET 584 1HE MET 584 6.605 9.248 -7.593 489 HE3 MET 584 2HE MET 584 7.990 8.697 -8.535 490 H LEU 585 H LEU 585 3.947 9.749 -5.145 491 HA LEU 585 HA LEU 585 2.941 7.529 -3.761 492 HB2 LEU 585 1HB LEU 585 4.405 10.001 -3.037 493 HB3 LEU 585 2HB LEU 585 3.612 9.124 -1.730 494 HG LEU 585 HG LEU 585 4.943 7.180 -2.134 495 HD11 LEU 585 1HD1 LEU 585 6.839 7.621 -3.965 496 HD12 LEU 585 2HD1 LEU 585 5.523 8.543 -4.691 497 HD13 LEU 585 3HD1 LEU 585 5.309 6.829 -4.338 498 HD21 LEU 585 3HD2 LEU 585 7.249 8.817 -2.370 499 HD22 LEU 585 1HD2 LEU 585 6.546 8.108 -0.916 500 HD23 LEU 585 2HD2 LEU 585 6.036 9.709 -1.450 501 H LEU 586 H LEU 586 1.715 10.775 -4.144 502 HA LEU 586 HA LEU 586 -0.258 10.522 -2.061 503 HB2 LEU 586 1HB LEU 586 0.623 12.702 -2.558 504 HB3 LEU 586 2HB LEU 586 0.139 12.557 -4.247 505 HG LEU 586 HG LEU 586 -2.001 12.415 -2.193 506 HD11 LEU 586 1HD1 LEU 586 -0.328 14.824 -2.743 507 HD12 LEU 586 2HD1 LEU 586 -1.023 14.258 -1.224 508 HD13 LEU 586 3HD1 LEU 586 -2.055 15.008 -2.441 509 HD21 LEU 586 3HD2 LEU 586 -1.662 13.111 -5.034 510 HD22 LEU 586 1HD2 LEU 586 -2.826 14.089 -4.140 511 HD23 LEU 586 2HD2 LEU 586 -3.013 12.337 -4.204 512 H GLU 587 H GLU 587 -0.012 9.654 -5.362 513 HA GLU 587 HA GLU 587 -2.824 9.691 -5.940 514 HB2 GLU 587 1HB GLU 587 -1.203 9.934 -7.742 515 HB3 GLU 587 2HB GLU 587 -0.517 8.359 -7.369 516 HG2 GLU 587 1HG GLU 587 -3.409 8.519 -8.024 517 HG3 GLU 587 2HG GLU 587 -2.236 8.687 -9.329 518 H ILE 588 H ILE 588 -0.468 7.037 -5.563 519 HA ILE 588 HA ILE 588 -1.950 4.828 -5.690 520 HB ILE 588 HB ILE 588 -0.654 4.170 -3.416 521 HG12 ILE 588 1HG1 ILE 588 1.185 6.229 -4.588 522 HG13 ILE 588 2HG1 ILE 588 0.017 6.698 -3.358 523 HG21 ILE 588 1HG2 ILE 588 -0.111 4.089 -6.256 524 HG22 ILE 588 2HG2 ILE 588 1.374 4.127 -5.308 525 HG23 ILE 588 3HG2 ILE 588 0.176 2.866 -5.018 526 HD11 ILE 588 3HD1 ILE 588 0.982 5.179 -1.782 527 HD12 ILE 588 1HD1 ILE 588 2.054 4.514 -3.014 528 HD13 ILE 588 2HD1 ILE 588 2.263 6.178 -2.468 529 H ASP 589 H ASP 589 -1.629 6.543 -2.574 530 HA ASP 589 HA ASP 589 -4.323 6.687 -1.949 531 HB2 ASP 589 1HB ASP 589 -3.265 4.016 -1.674 532 HB3 ASP 589 2HB ASP 589 -3.780 4.634 -0.107 533 H ASN 590 H ASN 590 -4.202 8.372 -0.631 534 HA ASN 590 HA ASN 590 -1.996 9.195 0.819 535 HB2 ASN 590 1HB ASN 590 -4.896 9.742 1.491 536 HB3 ASN 590 2HB ASN 590 -3.511 10.694 2.016 537 HD21 ASN 590 2HD2 ASN 590 -5.759 11.639 0.559 538 HD22 ASN 590 1HD2 ASN 590 -5.184 12.220 -0.963 539 H SER 591 H SER 591 -4.796 7.321 1.944 540 HA SER 591 HA SER 591 -4.210 7.129 4.627 541 HB2 SER 591 1HB SER 591 -6.158 6.108 3.123 542 HB3 SER 591 2HB SER 591 -5.167 4.656 3.262 543 HG SER 591 HG SER 591 -6.415 6.150 5.304 544 H GLU 592 H GLU 592 -2.957 5.146 1.972 545 HA GLU 592 HA GLU 592 -1.498 3.325 3.529 546 HB2 GLU 592 1HB GLU 592 -2.011 3.049 1.110 547 HB3 GLU 592 2HB GLU 592 -0.833 4.303 0.748 548 HG2 GLU 592 1HG GLU 592 0.338 2.345 0.377 549 HG3 GLU 592 2HG GLU 592 0.837 2.811 2.002 550 H LEU 593 H LEU 593 -0.658 6.496 2.237 551 HA LEU 593 HA LEU 593 2.086 6.428 2.889 552 HB2 LEU 593 1HB LEU 593 0.536 8.976 2.920 553 HB3 LEU 593 2HB LEU 593 2.152 8.655 2.294 554 HG LEU 593 HG LEU 593 -0.477 7.942 1.004 555 HD11 LEU 593 1HD1 LEU 593 -0.226 9.766 -0.250 556 HD12 LEU 593 2HD1 LEU 593 1.491 9.457 -0.507 557 HD13 LEU 593 3HD1 LEU 593 0.954 10.291 0.951 558 HD21 LEU 593 3HD2 LEU 593 2.243 7.435 -0.160 559 HD22 LEU 593 1HD2 LEU 593 0.678 6.827 -0.700 560 HD23 LEU 593 2HD2 LEU 593 1.394 6.216 0.792 561 H LEU 594 H LEU 594 -0.765 7.515 4.671 562 HA LEU 594 HA LEU 594 0.602 8.641 6.864 563 HB2 LEU 594 1HB LEU 594 -2.163 7.687 6.340 564 HB3 LEU 594 2HB LEU 594 -1.683 7.944 8.016 565 HG LEU 594 HG LEU 594 -1.619 10.032 5.837 566 HD11 LEU 594 1HD1 LEU 594 -3.856 9.889 6.228 567 HD12 LEU 594 2HD1 LEU 594 -3.408 10.970 7.547 568 HD13 LEU 594 3HD1 LEU 594 -3.647 9.251 7.859 569 HD21 LEU 594 3HD2 LEU 594 -0.253 11.137 7.195 570 HD22 LEU 594 1HD2 LEU 594 -0.381 9.883 8.429 571 HD23 LEU 594 2HD2 LEU 594 -1.558 11.195 8.380 572 H HIS 595 H HIS 595 0.209 5.417 5.890 573 HA HIS 595 HA HIS 595 0.777 4.417 8.596 574 HB2 HIS 595 1HB HIS 595 -1.144 3.530 6.982 575 HB3 HIS 595 2HB HIS 595 0.178 2.557 6.344 576 HD1 HIS 595 HD1 HIS 595 -1.172 3.366 9.819 577 HD2 HIS 595 HD2 HIS 595 0.321 0.183 7.606 578 HE1 HIS 595 HE1 HIS 595 -1.280 1.374 11.350 579 H MET 596 H MET 596 2.129 4.918 5.489 580 HA MET 596 HA MET 596 4.270 2.991 5.861 581 HB2 MET 596 1HB MET 596 3.510 4.895 3.667 582 HB3 MET 596 2HB MET 596 5.099 4.143 3.687 583 HG2 MET 596 1HG MET 596 3.965 1.924 3.772 584 HG3 MET 596 2HG MET 596 2.433 2.763 3.540 585 HE1 MET 596 3HE MET 596 4.019 5.137 1.440 586 HE2 MET 596 1HE MET 596 3.126 4.508 0.055 587 HE3 MET 596 2HE MET 596 2.325 4.677 1.618 588 H LEU 597 H LEU 597 3.811 6.494 5.860 589 HA LEU 597 HA LEU 597 6.516 7.215 6.145 590 HB2 LEU 597 1HB LEU 597 5.773 9.352 6.410 591 HB3 LEU 597 2HB LEU 597 4.359 8.624 5.650 592 HG LEU 597 HG LEU 597 3.537 9.996 7.379 593 HD11 LEU 597 1HD1 LEU 597 2.115 8.475 8.155 594 HD12 LEU 597 2HD1 LEU 597 3.378 7.666 9.082 595 HD13 LEU 597 3HD1 LEU 597 3.126 7.251 7.387 596 HD21 LEU 597 3HD2 LEU 597 4.584 10.457 9.305 597 HD22 LEU 597 1HD2 LEU 597 5.981 9.691 8.548 598 HD23 LEU 597 2HD2 LEU 597 4.944 8.761 9.630 599 H GLU 598 H GLU 598 4.396 5.690 8.298 600 HA GLU 598 HA GLU 598 5.424 6.708 10.753 601 HB2 GLU 598 1HB GLU 598 4.067 5.137 11.816 602 HB3 GLU 598 2HB GLU 598 3.202 5.467 10.321 603 HG2 GLU 598 1HG GLU 598 3.084 3.212 10.292 604 HG3 GLU 598 2HG GLU 598 4.638 3.402 9.482 605 H SER 599 H SER 599 6.652 4.566 8.433 606 HA SER 599 HA SER 599 8.726 3.682 10.323 607 HB2 SER 599 1HB SER 599 6.864 1.977 9.234 608 HB3 SER 599 2HB SER 599 8.213 1.823 8.109 609 HG SER 599 HG SER 599 7.957 0.809 10.578 610 HA PRO 600 HA PRO 600 11.598 5.288 7.410 611 HB2 PRO 600 1HB PRO 600 13.764 3.760 7.997 612 HB3 PRO 600 2HB PRO 600 13.184 5.051 9.055 613 HG2 PRO 600 1HG PRO 600 12.733 2.098 9.247 614 HG3 PRO 600 2HG PRO 600 13.121 3.256 10.533 615 HD2 PRO 600 1HD PRO 600 10.605 2.355 10.095 616 HD3 PRO 600 2HD PRO 600 10.942 3.988 10.704 617 H GLU 601 H GLU 601 11.642 1.727 7.650 618 HA GLU 601 HA GLU 601 12.772 1.201 5.160 619 HB2 GLU 601 1HB GLU 601 11.619 -1.029 5.358 620 HB3 GLU 601 2HB GLU 601 12.606 -0.573 6.739 621 HG2 GLU 601 1HG GLU 601 10.648 0.055 7.991 622 HG3 GLU 601 2HG GLU 601 9.618 -0.248 6.593 623 H SER 602 H SER 602 9.594 2.250 5.989 624 HA SER 602 HA SER 602 8.443 1.469 3.442 625 HB2 SER 602 1HB SER 602 7.414 2.681 5.966 626 HB3 SER 602 2HB SER 602 6.513 2.981 4.480 627 HG SER 602 HG SER 602 7.249 0.417 5.452 628 H LEU 603 H LEU 603 9.093 4.516 5.168 629 HA LEU 603 HA LEU 603 8.326 6.288 3.182 630 HB2 LEU 603 1HB LEU 603 8.861 7.003 5.430 631 HB3 LEU 603 2HB LEU 603 10.548 6.544 5.202 632 HG LEU 603 HG LEU 603 9.861 9.044 5.079 633 HD11 LEU 603 1HD1 LEU 603 11.465 8.458 2.705 634 HD12 LEU 603 2HD1 LEU 603 11.989 7.609 4.159 635 HD13 LEU 603 3HD1 LEU 603 11.874 9.369 4.159 636 HD21 LEU 603 3HD2 LEU 603 9.222 9.819 2.884 637 HD22 LEU 603 1HD2 LEU 603 8.020 8.672 3.474 638 HD23 LEU 603 2HD2 LEU 603 9.204 8.166 2.269 639 H ARG 604 H ARG 604 11.690 5.313 3.876 640 HA ARG 604 HA ARG 604 12.870 6.429 1.639 641 HB2 ARG 604 1HB ARG 604 14.021 5.376 3.631 642 HB3 ARG 604 2HB ARG 604 13.728 3.815 2.878 643 HG2 ARG 604 1HG ARG 604 14.960 4.759 0.851 644 HG3 ARG 604 2HG ARG 604 15.496 6.043 1.937 645 HD2 ARG 604 1HD ARG 604 17.198 4.392 1.937 646 HD3 ARG 604 2HD ARG 604 16.345 4.242 3.472 647 HE ARG 604 HE ARG 604 15.159 2.483 1.665 648 HH11 ARG 604 1HH1 ARG 604 18.214 2.929 3.273 649 HH12 ARG 604 2HH1 ARG 604 18.600 1.240 3.290 650 HH21 ARG 604 1HH2 ARG 604 15.655 0.257 1.681 651 HH22 ARG 604 2HH2 ARG 604 17.144 -0.279 2.383 652 H SER 605 H SER 605 11.458 3.197 2.012 653 HA SER 605 HA SER 605 12.141 2.089 -0.422 654 HB2 SER 605 1HB SER 605 11.085 0.544 0.907 655 HB3 SER 605 2HB SER 605 9.887 1.702 1.486 656 HG SER 605 HG SER 605 9.939 0.283 -0.954 657 H LYS 606 H LYS 606 9.228 3.989 0.338 658 HA LYS 606 HA LYS 606 8.124 3.972 -2.233 659 HB2 LYS 606 1HB LYS 606 7.877 5.926 0.050 660 HB3 LYS 606 2HB LYS 606 6.971 6.106 -1.447 661 HG2 LYS 606 1HG LYS 606 6.833 3.759 0.436 662 HG3 LYS 606 2HG LYS 606 5.626 5.036 0.266 663 HD2 LYS 606 1HD LYS 606 6.449 3.047 -1.850 664 HD3 LYS 606 2HD LYS 606 4.928 3.058 -0.954 665 HE2 LYS 606 1HE LYS 606 4.399 5.256 -1.929 666 HE3 LYS 606 2HE LYS 606 5.896 5.191 -2.856 667 HZ1 LYS 606 3HZ LYS 606 4.045 4.502 -4.212 668 HZ2 LYS 606 1HZ LYS 606 3.608 3.313 -3.091 669 HZ3 LYS 606 2HZ LYS 606 5.063 3.178 -3.943 670 H VAL 607 H VAL 607 10.037 6.540 -0.658 671 HA VAL 607 HA VAL 607 10.234 8.299 -2.767 672 HB VAL 607 HB VAL 607 12.351 7.658 -0.710 673 HG11 VAL 607 1HG1 VAL 607 12.426 9.387 -2.998 674 HG12 VAL 607 2HG1 VAL 607 12.526 10.340 -1.516 675 HG13 VAL 607 3HG1 VAL 607 13.687 9.046 -1.814 676 HG21 VAL 607 3HG2 VAL 607 10.016 8.434 0.018 677 HG22 VAL 607 1HG2 VAL 607 11.410 9.318 0.641 678 HG23 VAL 607 2HG2 VAL 607 10.460 9.989 -0.686 679 H ASP 608 H ASP 608 12.523 5.684 -1.972 680 HA ASP 608 HA ASP 608 14.243 6.026 -4.133 681 HB2 ASP 608 1HB ASP 608 13.834 4.085 -2.069 682 HB3 ASP 608 2HB ASP 608 14.069 3.243 -3.599 683 H GLU 609 H GLU 609 11.465 3.811 -3.849 684 HA GLU 609 HA GLU 609 11.578 2.695 -6.383 685 HB2 GLU 609 1HB GLU 609 9.218 3.285 -4.600 686 HB3 GLU 609 2HB GLU 609 9.073 2.387 -6.104 687 HG2 GLU 609 1HG GLU 609 10.318 0.592 -5.293 688 HG3 GLU 609 2HG GLU 609 10.992 1.540 -3.969 689 H ALA 610 H ALA 610 9.672 5.521 -5.342 690 HA ALA 610 HA ALA 610 8.518 6.198 -7.751 691 HB1 ALA 610 3HB ALA 610 8.848 7.415 -5.223 692 HB2 ALA 610 1HB ALA 610 9.295 8.608 -6.443 693 HB3 ALA 610 2HB ALA 610 7.708 7.840 -6.500 694 H VAL 611 H VAL 611 11.528 7.620 -6.456 695 HA VAL 611 HA VAL 611 12.276 9.106 -8.645 696 HB VAL 611 HB VAL 611 14.188 7.569 -6.883 697 HG11 VAL 611 1HG1 VAL 611 14.911 10.244 -7.816 698 HG12 VAL 611 2HG1 VAL 611 15.861 8.757 -7.782 699 HG13 VAL 611 3HG1 VAL 611 14.738 9.058 -9.108 700 HG21 VAL 611 3HG2 VAL 611 12.294 9.546 -6.166 701 HG22 VAL 611 1HG2 VAL 611 13.564 8.835 -5.170 702 HG23 VAL 611 2HG2 VAL 611 13.890 10.294 -6.106 703 H ALA 612 H ALA 612 12.881 5.672 -8.038 704 HA ALA 612 HA ALA 612 14.529 5.180 -10.256 705 HB1 ALA 612 3HB ALA 612 13.322 3.659 -8.192 706 HB2 ALA 612 1HB ALA 612 12.960 2.871 -9.728 707 HB3 ALA 612 2HB ALA 612 14.634 3.195 -9.275 708 H VAL 613 H VAL 613 11.016 5.131 -9.894 709 HA VAL 613 HA VAL 613 10.413 4.048 -12.428 710 HB VAL 613 HB VAL 613 8.791 5.818 -10.600 711 HG11 VAL 613 1HG1 VAL 613 7.030 4.473 -12.258 712 HG12 VAL 613 2HG1 VAL 613 7.439 6.188 -12.334 713 HG13 VAL 613 3HG1 VAL 613 8.300 5.029 -13.348 714 HG21 VAL 613 3HG2 VAL 613 7.583 3.373 -10.708 715 HG22 VAL 613 1HG2 VAL 613 9.289 2.942 -10.823 716 HG23 VAL 613 2HG2 VAL 613 8.710 3.890 -9.454 717 H LEU 614 H LEU 614 10.784 7.382 -11.295 718 HA LEU 614 HA LEU 614 9.939 8.747 -13.551 719 HB2 LEU 614 1HB LEU 614 12.317 9.598 -11.926 720 HB3 LEU 614 2HB LEU 614 11.133 10.613 -12.748 721 HG LEU 614 HG LEU 614 10.838 9.103 -10.168 722 HD11 LEU 614 1HD1 LEU 614 11.695 11.248 -9.798 723 HD12 LEU 614 2HD1 LEU 614 9.963 11.409 -9.509 724 HD13 LEU 614 3HD1 LEU 614 10.659 11.973 -11.028 725 HD21 LEU 614 3HD2 LEU 614 8.429 10.314 -10.532 726 HD22 LEU 614 1HD2 LEU 614 8.749 8.603 -10.816 727 HD23 LEU 614 2HD2 LEU 614 8.785 9.742 -12.162 728 H GLN 615 H GLN 615 12.961 7.085 -12.946 729 HA GLN 615 HA GLN 615 14.553 8.139 -14.957 730 HB2 GLN 615 1HB GLN 615 15.346 6.565 -13.227 731 HB3 GLN 615 2HB GLN 615 14.462 5.267 -14.018 732 HG2 GLN 615 1HG GLN 615 16.752 5.090 -14.634 733 HG3 GLN 615 2HG GLN 615 15.847 5.639 -16.044 734 HE21 GLN 615 2HE2 GLN 615 17.734 6.861 -13.310 735 HE22 GLN 615 1HE2 GLN 615 18.445 8.182 -14.166 736 H ALA 616 H ALA 616 11.857 5.963 -15.165 737 HA ALA 616 HA ALA 616 12.367 4.870 -17.716 738 HB1 ALA 616 3HB ALA 616 10.285 3.923 -17.578 739 HB2 ALA 616 1HB ALA 616 10.605 4.244 -15.874 740 HB3 ALA 616 2HB ALA 616 9.572 5.335 -16.798 741 H HIS 617 H HIS 617 10.592 7.753 -16.674 742 HA HIS 617 HA HIS 617 10.087 8.488 -19.455 743 HB2 HIS 617 1HB HIS 617 8.372 8.684 -17.527 744 HB3 HIS 617 2HB HIS 617 9.281 10.118 -17.059 745 HD1 HIS 617 HD1 HIS 617 6.798 11.170 -17.630 746 HD2 HIS 617 HD2 HIS 617 9.162 9.964 -20.827 747 HE1 HIS 617 HE1 HIS 617 5.847 12.334 -19.646 748 H GLN 618 H GLN 618 11.162 10.337 -16.600 749 HA GLN 618 HA GLN 618 13.429 11.362 -18.115 750 HB2 GLN 618 1HB GLN 618 11.070 12.972 -17.279 751 HB3 GLN 618 2HB GLN 618 12.658 13.709 -17.111 752 HG2 GLN 618 1HG GLN 618 12.182 14.396 -19.209 753 HG3 GLN 618 2HG GLN 618 12.907 12.838 -19.601 754 HE21 GLN 618 2HE2 GLN 618 9.718 13.978 -18.526 755 HE22 GLN 618 1HE2 GLN 618 8.821 13.133 -19.736 756 H ALA 619 H ALA 619 15.170 11.810 -16.865 757 HA ALA 619 HA ALA 619 14.830 11.461 -13.962 758 HB1 ALA 619 3HB ALA 619 16.926 10.470 -13.846 759 HB2 ALA 619 1HB ALA 619 16.282 9.856 -15.370 760 HB3 ALA 619 2HB ALA 619 17.454 11.175 -15.374 761 H LYS 620 H LYS 620 14.196 13.926 -14.648 762 HA LYS 620 HA LYS 620 14.659 16.134 -14.350 763 HB2 LYS 620 1HB LYS 620 15.495 15.001 -12.153 764 HB3 LYS 620 2HB LYS 620 17.097 15.373 -12.776 765 HG2 LYS 620 1HG LYS 620 16.505 17.143 -11.335 766 HG3 LYS 620 2HG LYS 620 16.343 17.765 -12.979 767 HD2 LYS 620 1HD LYS 620 13.863 17.011 -12.729 768 HD3 LYS 620 2HD LYS 620 14.215 17.053 -11.000 769 HE2 LYS 620 1HE LYS 620 13.367 19.180 -11.466 770 HE3 LYS 620 2HE LYS 620 15.115 19.410 -11.430 771 HZ1 LYS 620 3HZ LYS 620 13.812 20.450 -13.341 772 HZ2 LYS 620 1HZ LYS 620 13.695 18.882 -13.966 773 HZ3 LYS 620 2HZ LYS 620 15.214 19.589 -13.732 774 H GLU 621 H GLU 621 15.757 14.880 -16.673 775 HA GLU 621 HA GLU 621 18.415 15.454 -17.211 776 HB2 GLU 621 1HB GLU 621 17.088 14.149 -18.748 777 HB3 GLU 621 2HB GLU 621 16.022 15.514 -19.053 778 HG2 GLU 621 1HG GLU 621 17.734 16.694 -20.208 779 HG3 GLU 621 2HG GLU 621 18.952 15.517 -19.721 780 H ALA 622 H ALA 622 15.657 17.579 -17.061 781 HA ALA 622 HA ALA 622 17.147 19.810 -18.197 782 HB1 ALA 622 3HB ALA 622 14.682 19.335 -18.655 783 HB2 ALA 622 1HB ALA 622 14.384 19.956 -17.032 784 HB3 ALA 622 2HB ALA 622 15.124 20.994 -18.251 785 H ALA 623 H ALA 623 18.729 19.611 -16.373 786 HA ALA 623 HA ALA 623 17.837 20.532 -13.779 787 HB1 ALA 623 3HB ALA 623 20.413 20.524 -13.396 788 HB2 ALA 623 1HB ALA 623 19.540 18.998 -13.540 789 HB3 ALA 623 2HB ALA 623 20.446 19.629 -14.915 Start of MODEL 3 1 H1 ALA 64 1H ALA 64 -2.847 0.100 -1.636 2 HA ALA 64 HA ALA 64 -0.752 0.988 -3.210 3 HB1 ALA 64 3HB ALA 64 0.152 0.020 -0.621 4 HB2 ALA 64 1HB ALA 64 0.115 1.660 -1.268 5 HB3 ALA 64 2HB ALA 64 -1.326 0.976 -0.516 6 H PHE 65 H PHE 65 1.276 0.155 -3.756 7 HA PHE 65 HA PHE 65 1.724 -2.705 -3.329 8 HB2 PHE 65 1HB PHE 65 2.420 -2.865 -5.779 9 HB3 PHE 65 2HB PHE 65 0.692 -2.771 -5.457 10 HD1 PHE 65 HD1 PHE 65 -0.534 -0.679 -5.893 11 HD2 PHE 65 HD2 PHE 65 3.554 -1.157 -6.977 12 HE1 PHE 65 HE1 PHE 65 -0.710 1.260 -7.398 13 HE2 PHE 65 HE2 PHE 65 3.385 0.781 -8.483 14 HZ PHE 65 HZ PHE 65 1.251 1.993 -8.695 15 H SER 66 H SER 66 3.936 -3.374 -3.815 16 HA SER 66 HA SER 66 5.815 -1.224 -3.177 17 HB2 SER 66 1HB SER 66 7.380 -3.284 -2.852 18 HB3 SER 66 2HB SER 66 6.124 -2.967 -1.655 19 HG SER 66 HG SER 66 5.527 -4.935 -2.078 20 H ARG 67 H ARG 67 5.107 -3.622 -5.628 21 HA ARG 67 HA ARG 67 7.468 -3.565 -7.095 22 HB2 ARG 67 1HB ARG 67 4.601 -4.047 -7.839 23 HB3 ARG 67 2HB ARG 67 5.845 -4.014 -9.081 24 HG2 ARG 67 1HG ARG 67 5.705 -6.257 -8.585 25 HG3 ARG 67 2HG ARG 67 7.051 -5.737 -7.568 26 HD2 ARG 67 1HD ARG 67 5.543 -5.553 -5.657 27 HD3 ARG 67 2HD ARG 67 4.187 -6.044 -6.672 28 HE ARG 67 HE ARG 67 6.200 -8.003 -6.795 29 HH11 ARG 67 1HH1 ARG 67 3.841 -6.699 -4.592 30 HH12 ARG 67 2HH1 ARG 67 3.658 -8.177 -3.707 31 HH21 ARG 67 1HH2 ARG 67 5.969 -9.955 -5.638 32 HH22 ARG 67 2HH2 ARG 67 4.870 -10.028 -4.302 33 H GLN 68 H GLN 68 7.397 -2.664 -9.493 34 HA GLN 68 HA GLN 68 7.841 0.055 -9.389 35 HB2 GLN 68 1HB GLN 68 8.497 -1.601 -11.216 36 HB3 GLN 68 2HB GLN 68 6.887 -1.350 -11.879 37 HG2 GLN 68 1HG GLN 68 7.321 0.885 -12.398 38 HG3 GLN 68 2HG GLN 68 8.736 0.945 -11.348 39 HE21 GLN 68 2HE2 GLN 68 7.515 -0.806 -14.180 40 HE22 GLN 68 1HE2 GLN 68 9.026 -0.854 -15.016 41 H LEU 69 H LEU 69 6.685 1.853 -10.315 42 HA LEU 69 HA LEU 69 3.761 1.500 -10.307 43 HB2 LEU 69 1HB LEU 69 3.671 3.840 -9.367 44 HB3 LEU 69 2HB LEU 69 4.227 2.575 -8.272 45 HG LEU 69 HG LEU 69 6.599 3.356 -8.946 46 HD11 LEU 69 1HD1 LEU 69 4.931 5.713 -9.802 47 HD12 LEU 69 2HD1 LEU 69 6.048 4.773 -10.791 48 HD13 LEU 69 3HD1 LEU 69 6.664 5.786 -9.485 49 HD21 LEU 69 3HD2 LEU 69 5.781 5.551 -7.381 50 HD22 LEU 69 1HD2 LEU 69 6.492 4.032 -6.837 51 HD23 LEU 69 2HD2 LEU 69 4.739 4.196 -6.944 52 H ASN 70 H ASN 70 2.835 3.826 -11.123 53 HA ASN 70 HA ASN 70 4.014 4.139 -13.791 54 HB2 ASN 70 1HB ASN 70 1.877 4.893 -14.537 55 HB3 ASN 70 2HB ASN 70 1.583 3.482 -13.524 56 HD21 ASN 70 2HD2 ASN 70 0.147 6.125 -14.280 57 HD22 ASN 70 1HD2 ASN 70 -0.490 6.657 -12.765 58 H VAL 71 H VAL 71 4.770 6.054 -14.526 59 HA VAL 71 HA VAL 71 5.143 8.170 -12.575 60 HB VAL 71 HB VAL 71 7.053 7.510 -13.937 61 HG11 VAL 71 1HG1 VAL 71 6.302 8.702 -16.439 62 HG12 VAL 71 2HG1 VAL 71 6.902 7.076 -16.111 63 HG13 VAL 71 3HG1 VAL 71 5.174 7.415 -16.014 64 HG21 VAL 71 3HG2 VAL 71 6.237 10.247 -14.864 65 HG22 VAL 71 1HG2 VAL 71 6.642 9.915 -13.180 66 HG23 VAL 71 2HG2 VAL 71 7.846 9.659 -14.443 67 H ASN 72 H ASN 72 3.066 7.452 -15.198 68 HA ASN 72 HA ASN 72 2.450 10.106 -16.008 69 HB2 ASN 72 1HB ASN 72 1.259 7.406 -16.444 70 HB3 ASN 72 2HB ASN 72 0.255 8.814 -16.778 71 HD21 ASN 72 2HD2 ASN 72 3.080 7.022 -17.692 72 HD22 ASN 72 1HD2 ASN 72 3.339 7.810 -19.208 73 H ALA 73 H ALA 73 1.607 8.241 -13.282 74 HA ALA 73 HA ALA 73 -0.940 9.069 -12.624 75 HB1 ALA 73 3HB ALA 73 0.862 9.067 -10.331 76 HB2 ALA 73 1HB ALA 73 -0.538 8.051 -10.677 77 HB3 ALA 73 2HB ALA 73 1.036 7.648 -11.363 78 H LYS 74 H LYS 74 -1.833 10.984 -12.263 79 HA LYS 74 HA LYS 74 -0.539 13.416 -12.453 80 HB2 LYS 74 1HB LYS 74 -3.174 12.532 -11.393 81 HB3 LYS 74 2HB LYS 74 -2.648 14.161 -10.988 82 HG2 LYS 74 1HG LYS 74 -2.396 14.672 -13.364 83 HG3 LYS 74 2HG LYS 74 -2.927 13.038 -13.769 84 HD2 LYS 74 1HD LYS 74 -4.636 14.821 -12.074 85 HD3 LYS 74 2HD LYS 74 -4.646 14.975 -13.832 86 HE2 LYS 74 1HE LYS 74 -6.365 13.482 -13.497 87 HE3 LYS 74 2HE LYS 74 -5.007 12.391 -13.769 88 HZ1 LYS 74 3HZ LYS 74 -6.654 12.189 -11.697 89 HZ2 LYS 74 1HZ LYS 74 -5.468 13.183 -11.013 90 HZ3 LYS 74 2HZ LYS 74 -5.043 11.675 -11.650 91 HA PRO 75 HA PRO 75 1.399 14.285 -8.614 92 HB2 PRO 75 1HB PRO 75 0.853 16.921 -8.264 93 HB3 PRO 75 2HB PRO 75 1.990 16.329 -9.481 94 HG2 PRO 75 1HG PRO 75 -0.867 17.164 -9.805 95 HG3 PRO 75 2HG PRO 75 0.529 17.524 -10.839 96 HD2 PRO 75 1HD PRO 75 -1.269 15.589 -11.438 97 HD3 PRO 75 2HD PRO 75 0.447 15.468 -11.879 98 H PHE 76 H PHE 76 -1.027 16.720 -8.080 99 HA PHE 76 HA PHE 76 -2.794 15.209 -6.473 100 HB2 PHE 76 1HB PHE 76 -2.151 15.959 -4.258 101 HB3 PHE 76 2HB PHE 76 -0.795 15.119 -5.003 102 HD1 PHE 76 HD2 PHE 76 0.895 16.676 -6.283 103 HD2 PHE 76 HD1 PHE 76 -1.773 17.977 -3.232 104 HE1 PHE 76 HE2 PHE 76 2.334 18.627 -5.861 105 HE2 PHE 76 HE1 PHE 76 -0.339 19.931 -2.807 106 HZ PHE 76 HZ PHE 76 1.718 20.257 -4.121 107 H VAL 77 H VAL 77 -3.693 17.055 -4.680 108 HA VAL 77 HA VAL 77 -4.516 19.273 -6.434 109 HB VAL 77 HB VAL 77 -5.976 18.081 -4.072 110 HG11 VAL 77 1HG1 VAL 77 -7.842 19.552 -5.222 111 HG12 VAL 77 2HG1 VAL 77 -6.738 20.236 -4.027 112 HG13 VAL 77 3HG1 VAL 77 -6.446 20.492 -5.748 113 HG21 VAL 77 3HG2 VAL 77 -5.943 16.641 -6.072 114 HG22 VAL 77 1HG2 VAL 77 -7.559 17.242 -5.703 115 HG23 VAL 77 2HG2 VAL 77 -6.629 17.964 -7.016 116 HA PRO 78 HA PRO 78 -1.983 21.293 -3.157 117 HB2 PRO 78 1HB PRO 78 -0.970 23.190 -4.815 118 HB3 PRO 78 2HB PRO 78 -0.259 21.580 -4.649 119 HG2 PRO 78 1HG PRO 78 -2.094 22.631 -6.768 120 HG3 PRO 78 2HG PRO 78 -0.650 21.616 -6.941 121 HD2 PRO 78 1HD PRO 78 -3.160 20.604 -7.023 122 HD3 PRO 78 2HD PRO 78 -1.782 19.690 -6.376 123 H ASN 79 H ASN 79 -1.870 23.754 -2.704 124 HA ASN 79 HA ASN 79 -4.489 24.970 -3.291 125 HB2 ASN 79 1HB ASN 79 -4.580 25.851 -1.038 126 HB3 ASN 79 2HB ASN 79 -4.346 24.107 -0.959 127 HD21 ASN 79 2HD2 ASN 79 -3.786 25.678 1.195 128 HD22 ASN 79 1HD2 ASN 79 -2.080 25.724 1.461 129 H VAL 80 H VAL 80 -2.079 25.396 -4.749 130 HA VAL 80 HA VAL 80 -1.558 28.219 -4.077 131 HB VAL 80 HB VAL 80 0.670 27.921 -5.202 132 HG11 VAL 80 1HG1 VAL 80 1.561 26.464 -3.201 133 HG12 VAL 80 2HG1 VAL 80 0.900 28.078 -2.926 134 HG13 VAL 80 3HG1 VAL 80 -0.092 26.652 -2.618 135 HG21 VAL 80 3HG2 VAL 80 0.720 25.045 -4.689 136 HG22 VAL 80 1HG2 VAL 80 -0.351 25.512 -6.010 137 HG23 VAL 80 2HG2 VAL 80 1.353 25.965 -6.054 138 H HIS 81 H HIS 81 -1.727 29.691 -5.692 139 HA HIS 81 HA HIS 81 -3.107 28.926 -8.070 140 HB2 HIS 81 1HB HIS 81 -2.110 31.495 -6.915 141 HB3 HIS 81 2HB HIS 81 -2.544 31.451 -8.621 142 HD1 HIS 81 HD1 HIS 81 -4.231 30.132 -5.463 143 HD2 HIS 81 HD2 HIS 81 -5.072 32.339 -8.881 144 HE1 HIS 81 HE1 HIS 81 -6.674 30.707 -5.308 145 H ALA 82 H ALA 82 0.211 29.487 -7.235 146 HA ALA 82 HA ALA 82 1.183 29.914 -9.880 147 HB1 ALA 82 3HB ALA 82 2.333 29.573 -7.206 148 HB2 ALA 82 1HB ALA 82 3.344 28.975 -8.521 149 HB3 ALA 82 2HB ALA 82 2.804 30.654 -8.517 150 H1 GLY 541 1H GLY 541 11.972 19.450 12.454 151 HA2 GLY 541 1HA GLY 541 11.313 22.238 11.860 152 HA3 GLY 541 2HA GLY 541 10.384 20.996 11.033 153 H GLN 542 H GLN 542 8.423 21.014 11.929 154 HA GLN 542 HA GLN 542 8.008 20.068 14.550 155 HB2 GLN 542 1HB GLN 542 6.989 22.074 15.557 156 HB3 GLN 542 2HB GLN 542 8.705 22.293 15.236 157 HG2 GLN 542 1HG GLN 542 6.622 23.230 13.299 158 HG3 GLN 542 2HG GLN 542 7.113 24.212 14.678 159 HE21 GLN 542 2HE2 GLN 542 7.680 23.576 11.492 160 HE22 GLN 542 1HE2 GLN 542 9.271 24.235 11.350 161 H GLU 543 H GLU 543 5.661 20.136 15.161 162 HA GLU 543 HA GLU 543 3.480 19.708 14.675 163 HB2 GLU 543 1HB GLU 543 3.690 22.094 13.782 164 HB3 GLU 543 2HB GLU 543 3.823 21.370 12.185 165 HG2 GLU 543 1HG GLU 543 1.565 22.015 12.491 166 HG3 GLU 543 2HG GLU 543 1.628 20.256 12.592 167 HA PRO 544 HA PRO 544 4.872 16.485 11.636 168 HB2 PRO 544 1HB PRO 544 4.177 14.377 13.200 169 HB3 PRO 544 2HB PRO 544 5.748 15.180 13.311 170 HG2 PRO 544 1HG PRO 544 3.319 15.523 15.028 171 HG3 PRO 544 2HG PRO 544 5.022 15.402 15.509 172 HD2 PRO 544 1HD PRO 544 3.716 17.769 15.352 173 HD3 PRO 544 2HD PRO 544 5.450 17.611 15.007 174 H LEU 545 H LEU 545 3.565 14.841 10.573 175 HA LEU 545 HA LEU 545 0.743 15.591 10.550 176 HB2 LEU 545 1HB LEU 545 2.305 15.385 8.486 177 HB3 LEU 545 2HB LEU 545 2.006 13.656 8.650 178 HG LEU 545 HG LEU 545 -0.429 14.117 8.415 179 HD11 LEU 545 1HD1 LEU 545 -1.222 16.181 8.520 180 HD12 LEU 545 2HD1 LEU 545 -0.231 16.659 7.142 181 HD13 LEU 545 3HD1 LEU 545 0.415 16.785 8.778 182 HD21 LEU 545 3HD2 LEU 545 -0.377 14.254 6.069 183 HD22 LEU 545 1HD2 LEU 545 1.155 13.508 6.522 184 HD23 LEU 545 2HD2 LEU 545 1.103 15.213 6.074 185 H THR 546 H THR 546 -0.932 14.010 10.564 186 HA THR 546 HA THR 546 -0.355 11.277 11.234 187 HB THR 546 HB THR 546 -1.855 12.788 13.355 188 HG1 THR 546 HG1 THR 546 0.097 12.946 14.504 189 HG21 THR 546 3HG2 THR 546 -1.041 10.839 14.722 190 HG22 THR 546 1HG2 THR 546 -0.435 10.130 13.226 191 HG23 THR 546 2HG2 THR 546 -2.163 10.421 13.428 192 H ALA 547 H ALA 547 -2.326 9.989 11.501 193 HA ALA 547 HA ALA 547 -4.221 10.449 9.550 194 HB1 ALA 547 3HB ALA 547 -5.553 8.699 10.613 195 HB2 ALA 547 1HB ALA 547 -3.845 8.263 10.567 196 HB3 ALA 547 2HB ALA 547 -4.570 8.831 12.072 197 H SER 548 H SER 548 -4.235 11.440 12.923 198 HA SER 548 HA SER 548 -6.886 12.179 13.235 199 HB2 SER 548 1HB SER 548 -5.962 13.904 14.869 200 HB3 SER 548 2HB SER 548 -5.478 12.232 15.151 201 HG SER 548 HG SER 548 -3.898 14.278 14.872 202 H MET 549 H MET 549 -4.348 13.729 11.436 203 HA MET 549 HA MET 549 -5.507 16.296 11.206 204 HB2 MET 549 1HB MET 549 -3.627 14.867 9.318 205 HB3 MET 549 2HB MET 549 -3.981 16.590 9.295 206 HG2 MET 549 1HG MET 549 -2.821 15.217 11.697 207 HG3 MET 549 2HG MET 549 -1.823 15.872 10.401 208 HE1 MET 549 3HE MET 549 -2.618 19.345 10.083 209 HE2 MET 549 1HE MET 549 -1.110 19.041 10.946 210 HE3 MET 549 2HE MET 549 -1.631 17.943 9.668 211 H LEU 550 H LEU 550 -5.684 13.403 9.162 212 HA LEU 550 HA LEU 550 -7.679 14.718 7.472 213 HB2 LEU 550 1HB LEU 550 -6.694 11.937 7.021 214 HB3 LEU 550 2HB LEU 550 -7.247 13.131 5.849 215 HG LEU 550 HG LEU 550 -4.584 13.045 7.258 216 HD11 LEU 550 1HD1 LEU 550 -4.504 13.282 4.408 217 HD12 LEU 550 2HD1 LEU 550 -5.513 11.909 4.861 218 HD13 LEU 550 3HD1 LEU 550 -3.850 12.011 5.441 219 HD21 LEU 550 3HD2 LEU 550 -5.939 15.221 5.726 220 HD22 LEU 550 1HD2 LEU 550 -4.189 15.032 5.618 221 HD23 LEU 550 2HD2 LEU 550 -4.949 15.319 7.184 222 H ALA 551 H ALA 551 -8.331 13.974 10.185 223 HA ALA 551 HA ALA 551 -10.101 11.668 9.879 224 HB1 ALA 551 3HB ALA 551 -10.460 11.899 12.307 225 HB2 ALA 551 1HB ALA 551 -8.756 11.721 11.887 226 HB3 ALA 551 2HB ALA 551 -9.400 13.308 12.310 227 H SER 552 H SER 552 -10.366 14.990 11.163 228 HA SER 552 HA SER 552 -13.235 14.937 10.596 229 HB2 SER 552 1HB SER 552 -11.883 17.262 11.910 230 HB3 SER 552 2HB SER 552 -13.497 16.605 12.182 231 HG SER 552 HG SER 552 -12.049 16.135 13.903 232 H ALA 553 H ALA 553 -11.052 15.237 8.555 233 HA ALA 553 HA ALA 553 -11.826 17.866 7.472 234 HB1 ALA 553 3HB ALA 553 -9.303 16.961 7.923 235 HB2 ALA 553 1HB ALA 553 -9.535 16.520 6.231 236 HB3 ALA 553 2HB ALA 553 -9.730 18.198 6.740 237 HA PRO 554 HA PRO 554 -13.827 16.018 4.032 238 HB2 PRO 554 1HB PRO 554 -13.126 17.673 1.997 239 HB3 PRO 554 2HB PRO 554 -14.261 18.141 3.269 240 HG2 PRO 554 1HG PRO 554 -11.349 18.782 3.000 241 HG3 PRO 554 2HG PRO 554 -12.687 19.839 3.485 242 HD2 PRO 554 1HD PRO 554 -10.999 18.711 5.276 243 HD3 PRO 554 2HD PRO 554 -12.704 19.036 5.646 244 HA PRO 555 HA PRO 555 -11.200 13.369 1.705 245 HB2 PRO 555 1HB PRO 555 -12.499 13.175 -0.670 246 HB3 PRO 555 2HB PRO 555 -13.092 12.420 0.813 247 HG2 PRO 555 1HG PRO 555 -13.934 14.989 -0.472 248 HG3 PRO 555 2HG PRO 555 -14.938 13.720 0.255 249 HD2 PRO 555 1HD PRO 555 -14.325 16.016 1.554 250 HD3 PRO 555 2HD PRO 555 -14.557 14.472 2.400 251 H GLN 556 H GLN 556 -11.676 16.587 0.743 252 HA GLN 556 HA GLN 556 -9.791 16.410 -1.484 253 HB2 GLN 556 1HB GLN 556 -11.338 18.791 -0.448 254 HB3 GLN 556 2HB GLN 556 -10.373 18.746 -1.917 255 HG2 GLN 556 1HG GLN 556 -11.946 16.804 -2.593 256 HG3 GLN 556 2HG GLN 556 -13.004 17.460 -1.346 257 HE21 GLN 556 2HE2 GLN 556 -13.917 19.495 -1.628 258 HE22 GLN 556 1HE2 GLN 556 -13.967 20.273 -3.170 259 H GLU 557 H GLU 557 -10.175 18.066 1.633 260 HA GLU 557 HA GLU 557 -7.752 19.466 1.610 261 HB2 GLU 557 1HB GLU 557 -9.547 18.486 3.808 262 HB3 GLU 557 2HB GLU 557 -8.022 19.273 4.186 263 HG2 GLU 557 1HG GLU 557 -9.974 20.582 2.345 264 HG3 GLU 557 2HG GLU 557 -10.193 20.670 4.091 265 H GLN 558 H GLN 558 -8.461 16.131 2.239 266 HA GLN 558 HA GLN 558 -6.311 15.324 3.768 267 HB2 GLN 558 1HB GLN 558 -7.535 13.814 1.453 268 HB3 GLN 558 2HB GLN 558 -6.588 13.113 2.758 269 HG2 GLN 558 1HG GLN 558 -8.554 14.429 4.121 270 HG3 GLN 558 2HG GLN 558 -9.402 13.878 2.677 271 HE21 GLN 558 2HE2 GLN 558 -9.759 13.017 5.408 272 HE22 GLN 558 1HE2 GLN 558 -9.440 11.319 5.439 273 H LYS 559 H LYS 559 -6.412 14.925 0.227 274 HA LYS 559 HA LYS 559 -3.690 14.451 -0.104 275 HB2 LYS 559 1HB LYS 559 -4.075 15.127 -2.486 276 HB3 LYS 559 2HB LYS 559 -5.209 13.927 -1.879 277 HG2 LYS 559 1HG LYS 559 -6.848 15.746 -1.490 278 HG3 LYS 559 2HG LYS 559 -5.717 16.871 -2.246 279 HD2 LYS 559 1HD LYS 559 -7.350 16.168 -3.876 280 HD3 LYS 559 2HD LYS 559 -5.778 15.484 -4.298 281 HE2 LYS 559 1HE LYS 559 -6.410 13.346 -3.403 282 HE3 LYS 559 2HE LYS 559 -7.917 14.006 -2.771 283 HZ1 LYS 559 3HZ LYS 559 -8.039 14.616 -5.404 284 HZ2 LYS 559 1HZ LYS 559 -8.791 13.287 -4.676 285 HZ3 LYS 559 2HZ LYS 559 -7.286 13.102 -5.425 286 H GLN 560 H GLN 560 -5.455 17.461 0.141 287 HA GLN 560 HA GLN 560 -3.476 19.199 -0.838 288 HB2 GLN 560 1HB GLN 560 -5.725 19.604 1.129 289 HB3 GLN 560 2HB GLN 560 -4.671 20.915 0.614 290 HG2 GLN 560 1HG GLN 560 -5.504 20.927 -1.529 291 HG3 GLN 560 2HG GLN 560 -6.059 19.256 -1.437 292 HE21 GLN 560 2HE2 GLN 560 -8.153 19.534 -1.968 293 HE22 GLN 560 1HE2 GLN 560 -9.276 20.470 -1.048 294 H MET 561 H MET 561 -4.371 18.724 2.584 295 HA MET 561 HA MET 561 -2.056 19.932 3.614 296 HB2 MET 561 1HB MET 561 -3.753 17.831 4.969 297 HB3 MET 561 2HB MET 561 -2.715 19.013 5.753 298 HG2 MET 561 1HG MET 561 -4.140 20.803 5.138 299 HG3 MET 561 2HG MET 561 -5.073 19.772 4.056 300 HE1 MET 561 3HE MET 561 -7.331 17.941 5.503 301 HE2 MET 561 1HE MET 561 -5.717 17.479 4.960 302 HE3 MET 561 2HE MET 561 -6.227 17.125 6.611 303 H LEU 562 H LEU 562 -2.884 16.461 3.500 304 HA LEU 562 HA LEU 562 -0.497 15.430 4.407 305 HB2 LEU 562 1HB LEU 562 -2.461 14.063 4.038 306 HB3 LEU 562 2HB LEU 562 -2.338 14.313 2.298 307 HG LEU 562 HG LEU 562 -0.047 13.030 3.698 308 HD11 LEU 562 1HD1 LEU 562 -2.771 11.915 3.522 309 HD12 LEU 562 2HD1 LEU 562 -1.458 11.542 4.638 310 HD13 LEU 562 3HD1 LEU 562 -1.457 10.853 3.015 311 HD21 LEU 562 3HD2 LEU 562 -1.067 13.363 1.003 312 HD22 LEU 562 1HD2 LEU 562 -0.682 11.681 1.371 313 HD23 LEU 562 2HD2 LEU 562 0.551 12.928 1.555 314 H GLY 563 H GLY 563 -1.400 15.938 0.989 315 HA2 GLY 563 1HA GLY 563 1.066 15.218 -0.117 316 HA3 GLY 563 2HA GLY 563 -0.110 16.281 -0.877 317 H GLU 564 H GLU 564 -0.155 18.504 0.552 318 HA GLU 564 HA GLU 564 2.084 19.925 -0.216 319 HB2 GLU 564 1HB GLU 564 -0.003 20.451 1.884 320 HB3 GLU 564 2HB GLU 564 1.308 21.588 1.602 321 HG2 GLU 564 1HG GLU 564 -0.317 20.668 -0.713 322 HG3 GLU 564 2HG GLU 564 -1.001 21.852 0.398 323 H ARG 565 H ARG 565 1.397 18.404 2.904 324 HA ARG 565 HA ARG 565 3.790 19.345 4.149 325 HB2 ARG 565 1HB ARG 565 1.535 17.588 4.867 326 HB3 ARG 565 2HB ARG 565 3.061 17.189 5.644 327 HG2 ARG 565 1HG ARG 565 2.465 18.697 7.172 328 HG3 ARG 565 2HG ARG 565 2.942 19.899 5.971 329 HD2 ARG 565 1HD ARG 565 0.203 18.819 5.735 330 HD3 ARG 565 2HD ARG 565 0.522 19.841 7.136 331 HE ARG 565 HE ARG 565 1.462 21.006 4.704 332 HH11 ARG 565 1HH1 ARG 565 -1.360 20.501 6.678 333 HH12 ARG 565 2HH1 ARG 565 -2.191 21.898 6.077 334 HH21 ARG 565 1HH2 ARG 565 0.379 22.847 3.905 335 HH22 ARG 565 2HH2 ARG 565 -1.201 23.231 4.499 336 H LEU 566 H LEU 566 2.930 16.586 2.220 337 HA LEU 566 HA LEU 566 5.204 14.997 2.936 338 HB2 LEU 566 1HB LEU 566 2.868 14.749 1.250 339 HB3 LEU 566 2HB LEU 566 4.312 14.146 0.439 340 HG LEU 566 HG LEU 566 4.701 12.724 2.508 341 HD11 LEU 566 1HD1 LEU 566 1.819 13.443 3.020 342 HD12 LEU 566 2HD1 LEU 566 3.192 13.969 3.994 343 HD13 LEU 566 3HD1 LEU 566 2.778 12.257 3.905 344 HD21 LEU 566 3HD2 LEU 566 2.446 11.365 1.731 345 HD22 LEU 566 1HD2 LEU 566 4.020 11.288 0.939 346 HD23 LEU 566 2HD2 LEU 566 2.784 12.392 0.336 347 H PHE 567 H PHE 567 4.551 17.506 0.641 348 HA PHE 567 HA PHE 567 6.397 17.071 -1.346 349 HB2 PHE 567 1HB PHE 567 4.803 19.210 -0.519 350 HB3 PHE 567 2HB PHE 567 6.443 19.851 -0.515 351 HD1 PHE 567 HD1 PHE 567 7.803 18.828 -2.711 352 HD2 PHE 567 HD2 PHE 567 3.651 19.720 -2.423 353 HE1 PHE 567 HE1 PHE 567 7.699 19.114 -5.153 354 HE2 PHE 567 HE2 PHE 567 3.540 20.006 -4.864 355 HZ PHE 567 HZ PHE 567 5.565 19.702 -6.233 356 HA PRO 568 HA PRO 568 9.821 19.238 1.288 357 HB2 PRO 568 1HB PRO 568 9.282 19.670 3.913 358 HB3 PRO 568 2HB PRO 568 8.905 20.846 2.649 359 HG2 PRO 568 1HG PRO 568 7.104 18.869 3.994 360 HG3 PRO 568 2HG PRO 568 6.794 20.566 3.584 361 HD2 PRO 568 1HD PRO 568 5.867 18.512 2.083 362 HD3 PRO 568 2HD PRO 568 6.321 20.079 1.382 363 H LEU 569 H LEU 569 7.794 17.030 3.200 364 HA LEU 569 HA LEU 569 9.734 15.789 4.717 365 HB2 LEU 569 1HB LEU 569 7.304 15.425 4.930 366 HB3 LEU 569 2HB LEU 569 7.337 14.475 3.446 367 HG LEU 569 HG LEU 569 7.268 13.228 5.682 368 HD11 LEU 569 1HD1 LEU 569 8.491 12.662 3.199 369 HD12 LEU 569 2HD1 LEU 569 7.821 11.530 4.372 370 HD13 LEU 569 3HD1 LEU 569 9.522 11.988 4.461 371 HD21 LEU 569 3HD2 LEU 569 9.119 13.106 7.017 372 HD22 LEU 569 1HD2 LEU 569 9.256 14.775 6.464 373 HD23 LEU 569 2HD2 LEU 569 10.229 13.514 5.708 374 H ILE 570 H ILE 570 8.819 15.176 1.369 375 HA ILE 570 HA ILE 570 10.507 12.882 1.077 376 HB ILE 570 HB ILE 570 9.137 14.634 -0.961 377 HG12 ILE 570 1HG1 ILE 570 8.550 11.762 -0.263 378 HG13 ILE 570 2HG1 ILE 570 7.815 13.098 0.615 379 HG21 ILE 570 1HG2 ILE 570 11.093 13.730 -2.014 380 HG22 ILE 570 2HG2 ILE 570 10.755 12.125 -1.367 381 HG23 ILE 570 3HG2 ILE 570 9.688 12.829 -2.582 382 HD11 ILE 570 3HD1 ILE 570 7.562 13.380 -2.261 383 HD12 ILE 570 1HD1 ILE 570 6.828 11.898 -1.648 384 HD13 ILE 570 2HD1 ILE 570 6.334 13.462 -0.999 385 H GLN 571 H GLN 571 10.820 16.328 0.456 386 HA GLN 571 HA GLN 571 13.151 16.292 -1.087 387 HB2 GLN 571 1HB GLN 571 12.171 18.365 0.880 388 HB3 GLN 571 2HB GLN 571 13.483 18.621 -0.263 389 HG2 GLN 571 1HG GLN 571 12.059 18.581 -2.099 390 HG3 GLN 571 2HG GLN 571 10.770 17.780 -1.201 391 HE21 GLN 571 2HE2 GLN 571 9.619 19.619 -2.315 392 HE22 GLN 571 1HE2 GLN 571 9.487 21.099 -1.434 393 H ALA 572 H ALA 572 12.669 15.575 2.221 394 HA ALA 572 HA ALA 572 15.060 16.301 3.410 395 HB1 ALA 572 3HB ALA 572 13.890 13.646 4.075 396 HB2 ALA 572 1HB ALA 572 14.484 14.919 5.142 397 HB3 ALA 572 2HB ALA 572 12.920 15.094 4.345 398 H MET 573 H MET 573 14.424 13.795 1.095 399 HA MET 573 HA MET 573 17.258 13.008 1.230 400 HB2 MET 573 1HB MET 573 16.486 10.734 0.430 401 HB3 MET 573 2HB MET 573 16.079 11.139 2.092 402 HG2 MET 573 1HG MET 573 13.933 12.011 0.493 403 HG3 MET 573 2HG MET 573 14.360 10.391 -0.055 404 HE1 MET 573 3HE MET 573 12.125 11.715 3.540 405 HE2 MET 573 1HE MET 573 12.649 12.579 2.094 406 HE3 MET 573 2HE MET 573 11.394 11.345 1.977 407 H HIS 574 H HIS 574 14.386 13.435 -0.766 408 HA HIS 574 HA HIS 574 16.149 13.697 -3.111 409 HB2 HIS 574 1HB HIS 574 13.611 12.169 -2.785 410 HB3 HIS 574 2HB HIS 574 13.897 12.967 -4.329 411 HD1 HIS 574 HD1 HIS 574 15.684 11.975 -5.858 412 HD2 HIS 574 HD2 HIS 574 15.387 10.046 -2.190 413 HE1 HIS 574 HE1 HIS 574 17.047 9.874 -6.091 414 HA PRO 575 HA PRO 575 13.747 17.614 -2.409 415 HB2 PRO 575 1HB PRO 575 15.877 19.261 -2.751 416 HB3 PRO 575 2HB PRO 575 15.460 18.542 -1.191 417 HG2 PRO 575 1HG PRO 575 17.519 17.679 -3.185 418 HG3 PRO 575 2HG PRO 575 17.644 17.777 -1.419 419 HD2 PRO 575 1HD PRO 575 17.209 15.443 -2.720 420 HD3 PRO 575 2HD PRO 575 16.553 15.772 -1.104 421 H THR 576 H THR 576 15.493 16.132 -4.893 422 HA THR 576 HA THR 576 15.067 18.254 -6.837 423 HB THR 576 HB THR 576 16.026 16.483 -8.438 424 HG1 THR 576 HG1 THR 576 16.930 15.297 -6.023 425 HG21 THR 576 3HG2 THR 576 18.338 16.761 -7.003 426 HG22 THR 576 1HG2 THR 576 17.349 18.073 -6.363 427 HG23 THR 576 2HG2 THR 576 17.672 17.976 -8.094 428 H LEU 577 H LEU 577 14.253 14.779 -6.710 429 HA LEU 577 HA LEU 577 12.051 15.226 -8.555 430 HB2 LEU 577 1HB LEU 577 13.138 12.714 -7.294 431 HB3 LEU 577 2HB LEU 577 11.804 12.757 -8.445 432 HG LEU 577 HG LEU 577 13.675 12.109 -9.697 433 HD11 LEU 577 1HD1 LEU 577 13.542 13.607 -11.371 434 HD12 LEU 577 2HD1 LEU 577 13.968 14.967 -10.333 435 HD13 LEU 577 3HD1 LEU 577 12.317 14.346 -10.340 436 HD21 LEU 577 3HD2 LEU 577 15.170 13.271 -7.733 437 HD22 LEU 577 1HD2 LEU 577 15.446 14.359 -9.095 438 HD23 LEU 577 2HD2 LEU 577 15.805 12.639 -9.253 439 H ALA 578 H ALA 578 12.269 15.906 -5.496 440 HA ALA 578 HA ALA 578 10.460 14.495 -3.997 441 HB1 ALA 578 3HB ALA 578 9.903 16.996 -3.156 442 HB2 ALA 578 1HB ALA 578 11.353 16.103 -2.697 443 HB3 ALA 578 2HB ALA 578 11.420 17.279 -4.010 444 H GLY 579 H GLY 579 9.815 16.750 -6.598 445 HA2 GLY 579 1HA GLY 579 7.078 17.196 -6.110 446 HA3 GLY 579 2HA GLY 579 7.874 17.340 -7.671 447 H LYS 580 H LYS 580 8.228 15.305 -8.877 448 HA LYS 580 HA LYS 580 5.906 13.938 -9.377 449 HB2 LYS 580 1HB LYS 580 8.787 13.303 -9.867 450 HB3 LYS 580 2HB LYS 580 7.575 12.078 -10.217 451 HG2 LYS 580 1HG LYS 580 6.407 13.891 -11.591 452 HG3 LYS 580 2HG LYS 580 7.930 14.775 -11.472 453 HD2 LYS 580 1HD LYS 580 9.111 12.913 -12.502 454 HD3 LYS 580 2HD LYS 580 7.614 11.981 -12.571 455 HE2 LYS 580 1HE LYS 580 8.281 14.513 -14.059 456 HE3 LYS 580 2HE LYS 580 7.993 12.911 -14.736 457 HZ1 LYS 580 3HZ LYS 580 5.971 13.855 -15.079 458 HZ2 LYS 580 1HZ LYS 580 6.075 14.880 -13.737 459 HZ3 LYS 580 2HZ LYS 580 5.700 13.245 -13.525 460 H ILE 581 H ILE 581 8.446 13.115 -7.074 461 HA ILE 581 HA ILE 581 7.639 10.547 -6.379 462 HB ILE 581 HB ILE 581 8.918 12.682 -4.673 463 HG12 ILE 581 1HG1 ILE 581 10.222 10.211 -5.784 464 HG13 ILE 581 2HG1 ILE 581 10.070 11.667 -6.762 465 HG21 ILE 581 1HG2 ILE 581 9.574 10.797 -3.184 466 HG22 ILE 581 2HG2 ILE 581 7.845 11.141 -3.186 467 HG23 ILE 581 3HG2 ILE 581 8.471 9.760 -4.088 468 HD11 ILE 581 3HD1 ILE 581 11.602 11.294 -4.212 469 HD12 ILE 581 1HD1 ILE 581 12.211 11.741 -5.806 470 HD13 ILE 581 2HD1 ILE 581 11.237 12.884 -4.881 471 H THR 582 H THR 582 6.859 13.558 -4.627 472 HA THR 582 HA THR 582 4.999 12.435 -2.874 473 HB THR 582 HB THR 582 6.079 14.881 -3.058 474 HG1 THR 582 HG1 THR 582 3.562 14.310 -1.843 475 HG21 THR 582 3HG2 THR 582 3.227 15.340 -3.923 476 HG22 THR 582 1HG2 THR 582 4.598 15.401 -5.030 477 HG23 THR 582 2HG2 THR 582 4.493 16.546 -3.692 478 H GLY 583 H GLY 583 4.659 13.541 -6.176 479 HA2 GLY 583 1HA GLY 583 1.853 13.750 -6.278 480 HA3 GLY 583 2HA GLY 583 2.905 13.448 -7.654 481 H MET 584 H MET 584 3.884 11.068 -7.475 482 HA MET 584 HA MET 584 1.728 9.325 -7.945 483 HB2 MET 584 1HB MET 584 4.585 8.552 -7.337 484 HB3 MET 584 2HB MET 584 3.392 7.587 -8.197 485 HG2 MET 584 1HG MET 584 3.449 9.000 -10.075 486 HG3 MET 584 2HG MET 584 4.305 10.264 -9.195 487 HE1 MET 584 3HE MET 584 7.851 8.735 -8.747 488 HE2 MET 584 1HE MET 584 7.022 10.285 -8.890 489 HE3 MET 584 2HE MET 584 6.487 9.107 -7.692 490 H LEU 585 H LEU 585 3.890 9.694 -5.164 491 HA LEU 585 HA LEU 585 2.951 7.510 -3.674 492 HB2 LEU 585 1HB LEU 585 4.434 10.008 -3.085 493 HB3 LEU 585 2HB LEU 585 3.700 9.165 -1.722 494 HG LEU 585 HG LEU 585 5.028 7.221 -2.113 495 HD11 LEU 585 1HD1 LEU 585 5.485 8.489 -4.746 496 HD12 LEU 585 2HD1 LEU 585 5.274 6.790 -4.322 497 HD13 LEU 585 3HD1 LEU 585 6.827 7.580 -4.049 498 HD21 LEU 585 3HD2 LEU 585 6.442 9.846 -2.098 499 HD22 LEU 585 1HD2 LEU 585 7.384 8.358 -2.204 500 HD23 LEU 585 2HD2 LEU 585 6.312 8.627 -0.829 501 H LEU 586 H LEU 586 1.693 10.731 -4.126 502 HA LEU 586 HA LEU 586 -0.196 10.538 -1.955 503 HB2 LEU 586 1HB LEU 586 0.646 12.706 -2.513 504 HB3 LEU 586 2HB LEU 586 0.153 12.520 -4.195 505 HG LEU 586 HG LEU 586 -1.966 12.433 -2.112 506 HD11 LEU 586 1HD1 LEU 586 -0.353 14.850 -2.824 507 HD12 LEU 586 2HD1 LEU 586 -0.931 14.315 -1.246 508 HD13 LEU 586 3HD1 LEU 586 -2.062 14.996 -2.414 509 HD21 LEU 586 3HD2 LEU 586 -1.674 13.000 -4.984 510 HD22 LEU 586 1HD2 LEU 586 -2.820 14.026 -4.121 511 HD23 LEU 586 2HD2 LEU 586 -3.015 12.273 -4.097 512 H GLU 587 H GLU 587 -0.070 9.600 -5.246 513 HA GLU 587 HA GLU 587 -2.903 9.619 -5.716 514 HB2 GLU 587 1HB GLU 587 -1.109 9.781 -7.498 515 HB3 GLU 587 2HB GLU 587 -0.817 8.066 -7.245 516 HG2 GLU 587 1HG GLU 587 -2.719 7.442 -8.291 517 HG3 GLU 587 2HG GLU 587 -3.611 8.867 -7.761 518 H ILE 588 H ILE 588 -0.517 6.991 -5.350 519 HA ILE 588 HA ILE 588 -1.967 4.762 -5.395 520 HB ILE 588 HB ILE 588 -0.636 4.192 -3.112 521 HG12 ILE 588 1HG1 ILE 588 1.150 6.236 -4.395 522 HG13 ILE 588 2HG1 ILE 588 0.016 6.717 -3.139 523 HG21 ILE 588 1HG2 ILE 588 0.579 4.432 -5.861 524 HG22 ILE 588 2HG2 ILE 588 1.196 3.435 -4.545 525 HG23 ILE 588 3HG2 ILE 588 -0.374 3.074 -5.263 526 HD11 ILE 588 3HD1 ILE 588 2.263 6.273 -2.271 527 HD12 ILE 588 1HD1 ILE 588 1.051 5.197 -1.577 528 HD13 ILE 588 2HD1 ILE 588 2.137 4.606 -2.835 529 H ASP 589 H ASP 589 -1.633 6.552 -2.323 530 HA ASP 589 HA ASP 589 -4.316 6.690 -1.668 531 HB2 ASP 589 1HB ASP 589 -3.355 4.024 -1.475 532 HB3 ASP 589 2HB ASP 589 -3.607 4.612 0.166 533 H ASN 590 H ASN 590 -4.182 8.398 -0.380 534 HA ASN 590 HA ASN 590 -1.965 9.248 1.035 535 HB2 ASN 590 1HB ASN 590 -4.902 9.817 1.345 536 HB3 ASN 590 2HB ASN 590 -3.723 10.541 2.435 537 HD21 ASN 590 2HD2 ASN 590 -5.493 11.794 0.489 538 HD22 ASN 590 1HD2 ASN 590 -4.471 12.679 -0.587 539 H SER 591 H SER 591 -4.695 7.291 2.163 540 HA SER 591 HA SER 591 -4.142 7.164 4.859 541 HB2 SER 591 1HB SER 591 -6.068 6.092 3.459 542 HB3 SER 591 2HB SER 591 -5.002 4.689 3.392 543 HG SER 591 HG SER 591 -6.626 5.315 5.326 544 H GLU 592 H GLU 592 -2.809 5.142 2.264 545 HA GLU 592 HA GLU 592 -1.269 3.448 3.880 546 HB2 GLU 592 1HB GLU 592 -1.767 3.044 1.484 547 HB3 GLU 592 2HB GLU 592 -0.671 4.351 1.057 548 HG2 GLU 592 1HG GLU 592 0.727 2.589 0.783 549 HG3 GLU 592 2HG GLU 592 1.025 2.925 2.487 550 H LEU 593 H LEU 593 -0.555 6.596 2.459 551 HA LEU 593 HA LEU 593 2.188 6.666 3.107 552 HB2 LEU 593 1HB LEU 593 0.544 9.152 3.054 553 HB3 LEU 593 2HB LEU 593 2.164 8.865 2.422 554 HG LEU 593 HG LEU 593 -0.449 8.000 1.190 555 HD11 LEU 593 1HD1 LEU 593 -0.279 9.768 -0.164 556 HD12 LEU 593 2HD1 LEU 593 1.461 9.568 -0.364 557 HD13 LEU 593 3HD1 LEU 593 0.828 10.414 1.047 558 HD21 LEU 593 3HD2 LEU 593 0.750 6.899 -0.505 559 HD22 LEU 593 1HD2 LEU 593 1.478 6.347 1.004 560 HD23 LEU 593 2HD2 LEU 593 2.291 7.572 0.030 561 H LEU 594 H LEU 594 -0.706 7.607 4.881 562 HA LEU 594 HA LEU 594 0.576 8.932 7.010 563 HB2 LEU 594 1HB LEU 594 -2.089 7.659 6.610 564 HB3 LEU 594 2HB LEU 594 -1.601 8.122 8.239 565 HG LEU 594 HG LEU 594 -1.750 10.018 5.898 566 HD11 LEU 594 1HD1 LEU 594 -3.785 9.052 7.786 567 HD12 LEU 594 2HD1 LEU 594 -3.965 9.778 6.190 568 HD13 LEU 594 3HD1 LEU 594 -3.697 10.804 7.599 569 HD21 LEU 594 3HD2 LEU 594 -0.952 11.616 7.249 570 HD22 LEU 594 1HD2 LEU 594 -0.331 10.277 8.213 571 HD23 LEU 594 2HD2 LEU 594 -1.866 11.033 8.641 572 H HIS 595 H HIS 595 0.446 5.642 6.169 573 HA HIS 595 HA HIS 595 1.215 4.829 8.891 574 HB2 HIS 595 1HB HIS 595 -0.749 3.733 7.484 575 HB3 HIS 595 2HB HIS 595 0.580 2.821 6.776 576 HD1 HIS 595 HD1 HIS 595 -1.150 3.405 10.071 577 HD2 HIS 595 HD2 HIS 595 1.609 0.812 8.361 578 HE1 HIS 595 HE1 HIS 595 -0.838 1.555 11.746 579 H MET 596 H MET 596 2.364 5.313 5.722 580 HA MET 596 HA MET 596 4.636 3.518 6.037 581 HB2 MET 596 1HB MET 596 3.580 5.211 3.800 582 HB3 MET 596 2HB MET 596 5.241 4.635 3.753 583 HG2 MET 596 1HG MET 596 4.343 2.315 4.052 584 HG3 MET 596 2HG MET 596 2.730 2.988 3.830 585 HE1 MET 596 3HE MET 596 2.454 4.821 1.812 586 HE2 MET 596 1HE MET 596 4.111 5.348 1.513 587 HE3 MET 596 2HE MET 596 3.182 4.586 0.222 588 H LEU 597 H LEU 597 3.893 6.953 6.034 589 HA LEU 597 HA LEU 597 6.545 7.912 6.016 590 HB2 LEU 597 1HB LEU 597 5.650 9.985 6.342 591 HB3 LEU 597 2HB LEU 597 4.244 9.126 5.716 592 HG LEU 597 HG LEU 597 3.452 10.438 7.500 593 HD11 LEU 597 1HD1 LEU 597 2.277 8.822 8.486 594 HD12 LEU 597 2HD1 LEU 597 3.715 8.098 9.205 595 HD13 LEU 597 3HD1 LEU 597 3.258 7.693 7.551 596 HD21 LEU 597 3HD2 LEU 597 5.179 9.389 9.621 597 HD22 LEU 597 1HD2 LEU 597 4.617 11.033 9.320 598 HD23 LEU 597 2HD2 LEU 597 6.008 10.402 8.439 599 H GLU 598 H GLU 598 4.832 6.214 8.370 600 HA GLU 598 HA GLU 598 6.351 7.330 10.600 601 HB2 GLU 598 1HB GLU 598 4.943 5.961 12.026 602 HB3 GLU 598 2HB GLU 598 3.945 6.877 10.906 603 HG2 GLU 598 1HG GLU 598 3.257 5.028 9.781 604 HG3 GLU 598 2HG GLU 598 4.745 4.141 10.104 605 H SER 599 H SER 599 7.699 5.855 8.488 606 HA SER 599 HA SER 599 9.300 4.153 10.110 607 HB2 SER 599 1HB SER 599 7.084 2.939 8.705 608 HB3 SER 599 2HB SER 599 8.617 2.306 8.107 609 HG SER 599 HG SER 599 9.107 2.103 10.482 610 HA PRO 600 HA PRO 600 12.174 5.370 7.005 611 HB2 PRO 600 1HB PRO 600 14.156 3.595 7.544 612 HB3 PRO 600 2HB PRO 600 13.803 4.984 8.578 613 HG2 PRO 600 1HG PRO 600 12.990 2.122 8.908 614 HG3 PRO 600 2HG PRO 600 13.591 3.262 10.126 615 HD2 PRO 600 1HD PRO 600 10.961 2.680 9.848 616 HD3 PRO 600 2HD PRO 600 11.536 4.275 10.376 617 H GLU 601 H GLU 601 11.825 1.837 7.384 618 HA GLU 601 HA GLU 601 12.703 1.137 4.824 619 HB2 GLU 601 1HB GLU 601 11.062 -0.195 6.925 620 HB3 GLU 601 2HB GLU 601 11.070 -0.901 5.315 621 HG2 GLU 601 1HG GLU 601 13.377 -1.316 5.387 622 HG3 GLU 601 2HG GLU 601 13.605 -0.260 6.780 623 H SER 602 H SER 602 9.763 2.558 5.862 624 HA SER 602 HA SER 602 8.283 1.753 3.492 625 HB2 SER 602 1HB SER 602 7.633 3.140 6.043 626 HB3 SER 602 2HB SER 602 6.638 3.529 4.639 627 HG SER 602 HG SER 602 6.271 1.258 4.411 628 H LEU 603 H LEU 603 9.265 4.837 4.992 629 HA LEU 603 HA LEU 603 8.542 6.491 2.863 630 HB2 LEU 603 1HB LEU 603 8.979 7.560 4.885 631 HB3 LEU 603 2HB LEU 603 10.526 6.741 5.091 632 HG LEU 603 HG LEU 603 11.465 8.121 3.273 633 HD11 LEU 603 1HD1 LEU 603 10.293 9.682 2.101 634 HD12 LEU 603 2HD1 LEU 603 9.132 9.952 3.400 635 HD13 LEU 603 3HD1 LEU 603 9.003 8.513 2.388 636 HD21 LEU 603 3HD2 LEU 603 10.933 8.841 5.894 637 HD22 LEU 603 1HD2 LEU 603 10.454 10.254 4.953 638 HD23 LEU 603 2HD2 LEU 603 12.090 9.610 4.806 639 H ARG 604 H ARG 604 11.791 5.263 3.685 640 HA ARG 604 HA ARG 604 13.127 6.239 1.454 641 HB2 ARG 604 1HB ARG 604 14.147 5.184 3.509 642 HB3 ARG 604 2HB ARG 604 13.739 3.618 2.821 643 HG2 ARG 604 1HG ARG 604 15.198 3.979 0.963 644 HG3 ARG 604 2HG ARG 604 15.485 5.650 1.452 645 HD2 ARG 604 1HD ARG 604 16.563 4.872 3.499 646 HD3 ARG 604 2HD ARG 604 16.255 3.199 3.033 647 HE ARG 604 HE ARG 604 17.730 4.613 1.043 648 HH11 ARG 604 1HH1 ARG 604 18.006 2.965 4.097 649 HH12 ARG 604 2HH1 ARG 604 19.672 2.546 3.869 650 HH21 ARG 604 1HH2 ARG 604 19.923 4.067 0.730 651 HH22 ARG 604 2HH2 ARG 604 20.761 3.174 1.953 652 H SER 605 H SER 605 11.183 3.343 1.840 653 HA SER 605 HA SER 605 11.929 2.055 -0.555 654 HB2 SER 605 1HB SER 605 10.810 0.686 0.986 655 HB3 SER 605 2HB SER 605 9.529 1.869 1.249 656 HG SER 605 HG SER 605 8.796 0.165 -0.056 657 H LYS 606 H LYS 606 9.130 4.121 0.203 658 HA LYS 606 HA LYS 606 8.018 4.131 -2.371 659 HB2 LYS 606 1HB LYS 606 7.864 6.177 -0.153 660 HB3 LYS 606 2HB LYS 606 6.890 6.246 -1.616 661 HG2 LYS 606 1HG LYS 606 6.846 4.073 0.467 662 HG3 LYS 606 2HG LYS 606 5.605 5.297 0.188 663 HD2 LYS 606 1HD LYS 606 6.445 3.127 -1.735 664 HD3 LYS 606 2HD LYS 606 4.946 3.179 -0.805 665 HE2 LYS 606 1HE LYS 606 4.296 5.227 -1.981 666 HE3 LYS 606 2HE LYS 606 5.794 5.169 -2.909 667 HZ1 LYS 606 3HZ LYS 606 3.598 3.173 -2.979 668 HZ2 LYS 606 1HZ LYS 606 5.070 3.010 -3.797 669 HZ3 LYS 606 2HZ LYS 606 4.010 4.262 -4.205 670 H VAL 607 H VAL 607 10.006 6.647 -0.801 671 HA VAL 607 HA VAL 607 10.288 8.368 -2.931 672 HB VAL 607 HB VAL 607 12.366 7.693 -0.845 673 HG11 VAL 607 1HG1 VAL 607 12.389 9.537 -3.102 674 HG12 VAL 607 2HG1 VAL 607 12.729 10.320 -1.557 675 HG13 VAL 607 3HG1 VAL 607 13.717 8.961 -2.096 676 HG21 VAL 607 3HG2 VAL 607 10.476 8.444 0.310 677 HG22 VAL 607 1HG2 VAL 607 11.465 9.892 0.123 678 HG23 VAL 607 2HG2 VAL 607 10.075 9.631 -0.931 679 H ASP 608 H ASP 608 12.415 5.639 -2.091 680 HA ASP 608 HA ASP 608 14.207 5.909 -4.216 681 HB2 ASP 608 1HB ASP 608 14.737 4.465 -2.364 682 HB3 ASP 608 2HB ASP 608 13.333 3.452 -2.688 683 H GLU 609 H GLU 609 11.354 3.784 -3.965 684 HA GLU 609 HA GLU 609 11.466 2.672 -6.502 685 HB2 GLU 609 1HB GLU 609 9.932 1.979 -4.650 686 HB3 GLU 609 2HB GLU 609 8.942 3.387 -5.004 687 HG2 GLU 609 1HG GLU 609 8.825 2.434 -7.392 688 HG3 GLU 609 2HG GLU 609 9.377 0.932 -6.652 689 H ALA 610 H ALA 610 9.590 5.524 -5.474 690 HA ALA 610 HA ALA 610 8.487 6.240 -7.890 691 HB1 ALA 610 3HB ALA 610 9.003 8.679 -6.819 692 HB2 ALA 610 1HB ALA 610 7.661 7.640 -6.341 693 HB3 ALA 610 2HB ALA 610 9.153 7.644 -5.400 694 H VAL 611 H VAL 611 11.512 7.595 -6.558 695 HA VAL 611 HA VAL 611 12.316 9.073 -8.731 696 HB VAL 611 HB VAL 611 14.129 7.492 -6.901 697 HG11 VAL 611 1HG1 VAL 611 14.708 9.967 -8.525 698 HG12 VAL 611 2HG1 VAL 611 15.837 9.105 -7.478 699 HG13 VAL 611 3HG1 VAL 611 15.228 8.335 -8.944 700 HG21 VAL 611 3HG2 VAL 611 12.325 9.483 -6.227 701 HG22 VAL 611 1HG2 VAL 611 13.714 8.959 -5.275 702 HG23 VAL 611 2HG2 VAL 611 13.864 10.332 -6.372 703 H ALA 612 H ALA 612 12.863 5.625 -8.129 704 HA ALA 612 HA ALA 612 14.525 5.091 -10.311 705 HB1 ALA 612 3HB ALA 612 14.525 3.109 -9.317 706 HB2 ALA 612 1HB ALA 612 13.152 3.589 -8.320 707 HB3 ALA 612 2HB ALA 612 12.881 2.830 -9.889 708 H VAL 613 H VAL 613 10.996 5.114 -10.055 709 HA VAL 613 HA VAL 613 10.454 4.123 -12.638 710 HB VAL 613 HB VAL 613 8.776 5.929 -10.891 711 HG11 VAL 613 1HG1 VAL 613 7.190 4.332 -12.597 712 HG12 VAL 613 2HG1 VAL 613 7.347 6.089 -12.581 713 HG13 VAL 613 3HG1 VAL 613 8.410 5.117 -13.599 714 HG21 VAL 613 3HG2 VAL 613 8.778 4.061 -9.624 715 HG22 VAL 613 1HG2 VAL 613 7.594 3.506 -10.807 716 HG23 VAL 613 2HG2 VAL 613 9.284 3.027 -10.960 717 H LEU 614 H LEU 614 10.843 7.415 -11.393 718 HA LEU 614 HA LEU 614 10.143 8.786 -13.738 719 HB2 LEU 614 1HB LEU 614 12.172 9.684 -11.704 720 HB3 LEU 614 2HB LEU 614 11.206 10.698 -12.774 721 HG LEU 614 HG LEU 614 10.285 9.159 -10.356 722 HD11 LEU 614 1HD1 LEU 614 11.313 11.317 -9.908 723 HD12 LEU 614 2HD1 LEU 614 9.579 11.373 -9.593 724 HD13 LEU 614 3HD1 LEU 614 10.230 12.088 -11.068 725 HD21 LEU 614 3HD2 LEU 614 8.726 10.329 -12.625 726 HD22 LEU 614 1HD2 LEU 614 8.052 10.308 -10.995 727 HD23 LEU 614 2HD2 LEU 614 8.500 8.795 -11.783 728 H GLN 615 H GLN 615 12.925 6.954 -12.947 729 HA GLN 615 HA GLN 615 14.912 8.167 -14.466 730 HB2 GLN 615 1HB GLN 615 15.149 6.198 -12.890 731 HB3 GLN 615 2HB GLN 615 14.551 5.184 -14.197 732 HG2 GLN 615 1HG GLN 615 16.470 6.210 -15.574 733 HG3 GLN 615 2HG GLN 615 17.125 6.692 -14.010 734 HE21 GLN 615 2HE2 GLN 615 18.571 5.339 -13.257 735 HE22 GLN 615 1HE2 GLN 615 18.596 3.628 -13.491 736 H ALA 616 H ALA 616 12.123 6.386 -15.463 737 HA ALA 616 HA ALA 616 13.125 6.028 -18.177 738 HB1 ALA 616 3HB ALA 616 10.546 5.204 -16.856 739 HB2 ALA 616 1HB ALA 616 10.921 4.918 -18.555 740 HB3 ALA 616 2HB ALA 616 11.906 4.172 -17.297 741 H HIS 617 H HIS 617 11.300 8.268 -16.357 742 HA HIS 617 HA HIS 617 9.887 9.348 -18.656 743 HB2 HIS 617 1HB HIS 617 8.858 9.242 -16.364 744 HB3 HIS 617 2HB HIS 617 10.020 10.462 -15.849 745 HD1 HIS 617 HD1 HIS 617 6.870 10.015 -17.765 746 HD2 HIS 617 HD2 HIS 617 9.562 13.055 -16.885 747 HE1 HIS 617 HE1 HIS 617 5.711 12.149 -18.418 748 H GLN 618 H GLN 618 11.882 10.927 -16.158 749 HA GLN 618 HA GLN 618 13.214 12.438 -18.305 750 HB2 GLN 618 1HB GLN 618 11.449 13.711 -16.928 751 HB3 GLN 618 2HB GLN 618 12.611 13.630 -15.610 752 HG2 GLN 618 1HG GLN 618 12.948 15.717 -16.610 753 HG3 GLN 618 2HG GLN 618 14.269 14.705 -17.191 754 HE21 GLN 618 2HE2 GLN 618 11.371 16.399 -18.025 755 HE22 GLN 618 1HE2 GLN 618 11.525 16.248 -19.739 756 H ALA 619 H ALA 619 13.398 11.121 -15.044 757 HA ALA 619 HA ALA 619 15.155 10.387 -13.796 758 HB1 ALA 619 3HB ALA 619 15.755 9.554 -16.257 759 HB2 ALA 619 1HB ALA 619 17.115 10.647 -15.998 760 HB3 ALA 619 2HB ALA 619 16.831 9.312 -14.881 761 H LYS 620 H LYS 620 14.566 13.047 -13.569 762 HA LYS 620 HA LYS 620 15.376 15.065 -12.890 763 HB2 LYS 620 1HB LYS 620 16.454 13.444 -11.260 764 HB3 LYS 620 2HB LYS 620 17.911 13.564 -12.237 765 HG2 LYS 620 1HG LYS 620 17.332 16.186 -11.809 766 HG3 LYS 620 2HG LYS 620 16.777 15.445 -10.306 767 HD2 LYS 620 1HD LYS 620 19.492 14.919 -11.497 768 HD3 LYS 620 2HD LYS 620 19.183 16.209 -10.332 769 HE2 LYS 620 1HE LYS 620 18.103 14.251 -8.949 770 HE3 LYS 620 2HE LYS 620 19.148 13.251 -9.957 771 HZ1 LYS 620 3HZ LYS 620 20.693 13.693 -8.432 772 HZ2 LYS 620 1HZ LYS 620 19.830 14.990 -7.773 773 HZ3 LYS 620 2HZ LYS 620 20.801 15.227 -9.137 774 H GLU 621 H GLU 621 15.631 14.624 -15.628 775 HA GLU 621 HA GLU 621 18.266 15.734 -16.299 776 HB2 GLU 621 1HB GLU 621 16.166 14.344 -17.955 777 HB3 GLU 621 2HB GLU 621 17.513 15.209 -18.682 778 HG2 GLU 621 1HG GLU 621 19.075 13.747 -17.469 779 HG3 GLU 621 2HG GLU 621 17.702 12.853 -16.818 780 H ALA 622 H ALA 622 17.251 17.730 -15.224 781 HA ALA 622 HA ALA 622 16.700 19.630 -17.236 782 HB1 ALA 622 3HB ALA 622 14.503 19.125 -17.472 783 HB2 ALA 622 1HB ALA 622 14.373 18.430 -15.856 784 HB3 ALA 622 2HB ALA 622 14.364 20.181 -16.067 785 H ALA 623 H ALA 623 17.100 21.664 -16.513 786 HA ALA 623 HA ALA 623 17.706 21.933 -13.649 787 HB1 ALA 623 3HB ALA 623 18.613 23.868 -15.747 788 HB2 ALA 623 1HB ALA 623 19.331 23.506 -14.177 789 HB3 ALA 623 2HB ALA 623 19.460 22.342 -15.496 Start of MODEL 4 1 H1 ALA 64 1H ALA 64 1.542 2.380 -2.944 2 HA ALA 64 HA ALA 64 1.809 0.480 -1.134 3 HB1 ALA 64 3HB ALA 64 -0.355 1.457 -1.971 4 HB2 ALA 64 1HB ALA 64 -0.358 0.194 -3.202 5 HB3 ALA 64 2HB ALA 64 -0.421 -0.239 -1.493 6 H PHE 65 H PHE 65 0.938 -0.615 -4.412 7 HA PHE 65 HA PHE 65 1.542 -3.282 -4.077 8 HB2 PHE 65 1HB PHE 65 1.965 -3.241 -6.616 9 HB3 PHE 65 2HB PHE 65 0.385 -2.718 -6.043 10 HD1 PHE 65 HD1 PHE 65 3.655 -1.527 -7.277 11 HD2 PHE 65 HD2 PHE 65 -0.402 -0.539 -6.455 12 HE1 PHE 65 HE1 PHE 65 3.938 0.608 -8.467 13 HE2 PHE 65 HE2 PHE 65 -0.127 1.597 -7.644 14 HZ PHE 65 HZ PHE 65 2.045 2.173 -8.653 15 H SER 66 H SER 66 3.341 -4.491 -4.015 16 HA SER 66 HA SER 66 5.883 -3.173 -3.795 17 HB2 SER 66 1HB SER 66 6.712 -5.570 -3.483 18 HB3 SER 66 2HB SER 66 5.544 -4.985 -2.298 19 HG SER 66 HG SER 66 5.260 -7.164 -3.431 20 H ARG 67 H ARG 67 5.641 -2.359 -6.096 21 HA ARG 67 HA ARG 67 7.482 -3.694 -7.752 22 HB2 ARG 67 1HB ARG 67 4.677 -4.429 -8.094 23 HB3 ARG 67 2HB ARG 67 5.403 -3.815 -9.573 24 HG2 ARG 67 1HG ARG 67 7.332 -5.494 -8.883 25 HG3 ARG 67 2HG ARG 67 5.993 -6.286 -8.050 26 HD2 ARG 67 1HD ARG 67 4.759 -6.001 -10.318 27 HD3 ARG 67 2HD ARG 67 6.382 -5.794 -10.975 28 HE ARG 67 HE ARG 67 6.568 -8.075 -9.519 29 HH11 ARG 67 1HH1 ARG 67 4.424 -6.984 -12.036 30 HH12 ARG 67 2HH1 ARG 67 4.138 -8.575 -12.661 31 HH21 ARG 67 1HH2 ARG 67 6.199 -10.174 -10.333 32 HH22 ARG 67 2HH2 ARG 67 5.147 -10.388 -11.691 33 H GLN 68 H GLN 68 7.254 -2.722 -10.131 34 HA GLN 68 HA GLN 68 7.783 -0.020 -9.973 35 HB2 GLN 68 1HB GLN 68 8.398 -1.427 -11.893 36 HB3 GLN 68 2HB GLN 68 6.705 -1.532 -12.359 37 HG2 GLN 68 1HG GLN 68 6.639 0.841 -12.798 38 HG3 GLN 68 2HG GLN 68 8.298 1.018 -12.229 39 HE21 GLN 68 2HE2 GLN 68 9.700 1.229 -13.803 40 HE22 GLN 68 1HE2 GLN 68 9.608 0.495 -15.364 41 H LEU 69 H LEU 69 6.633 1.861 -10.438 42 HA LEU 69 HA LEU 69 3.702 1.577 -10.329 43 HB2 LEU 69 1HB LEU 69 3.764 3.872 -9.278 44 HB3 LEU 69 2HB LEU 69 4.362 2.539 -8.292 45 HG LEU 69 HG LEU 69 6.697 3.289 -9.143 46 HD11 LEU 69 1HD1 LEU 69 6.041 4.847 -10.825 47 HD12 LEU 69 2HD1 LEU 69 6.775 5.759 -9.506 48 HD13 LEU 69 3HD1 LEU 69 5.021 5.730 -9.689 49 HD21 LEU 69 3HD2 LEU 69 6.997 4.488 -7.186 50 HD22 LEU 69 1HD2 LEU 69 5.565 3.524 -6.823 51 HD23 LEU 69 2HD2 LEU 69 5.394 5.222 -7.267 52 H ASN 70 H ASN 70 2.713 3.868 -11.012 53 HA ASN 70 HA ASN 70 3.685 4.300 -13.736 54 HB2 ASN 70 1HB ASN 70 1.357 3.772 -13.643 55 HB3 ASN 70 2HB ASN 70 1.073 4.955 -12.370 56 HD21 ASN 70 2HD2 ASN 70 -0.223 6.424 -13.223 57 HD22 ASN 70 1HD2 ASN 70 0.037 7.250 -14.718 58 H VAL 71 H VAL 71 4.481 6.200 -14.453 59 HA VAL 71 HA VAL 71 5.072 8.236 -12.464 60 HB VAL 71 HB VAL 71 6.890 7.544 -13.914 61 HG11 VAL 71 1HG1 VAL 71 5.668 6.829 -15.859 62 HG12 VAL 71 2HG1 VAL 71 5.117 8.476 -16.167 63 HG13 VAL 71 3HG1 VAL 71 6.825 8.070 -16.337 64 HG21 VAL 71 3HG2 VAL 71 7.727 9.666 -14.458 65 HG22 VAL 71 1HG2 VAL 71 6.121 10.304 -14.812 66 HG23 VAL 71 2HG2 VAL 71 6.588 9.964 -13.145 67 H ASN 72 H ASN 72 2.869 7.693 -15.040 68 HA ASN 72 HA ASN 72 2.330 10.409 -15.700 69 HB2 ASN 72 1HB ASN 72 1.083 7.771 -16.281 70 HB3 ASN 72 2HB ASN 72 0.068 9.199 -16.466 71 HD21 ASN 72 2HD2 ASN 72 3.362 8.140 -17.263 72 HD22 ASN 72 1HD2 ASN 72 3.363 8.787 -18.865 73 H ALA 73 H ALA 73 1.552 8.481 -13.026 74 HA ALA 73 HA ALA 73 -0.972 9.274 -12.258 75 HB1 ALA 73 3HB ALA 73 0.468 7.615 -11.085 76 HB2 ALA 73 1HB ALA 73 1.365 8.961 -10.382 77 HB3 ALA 73 2HB ALA 73 -0.345 8.749 -10.007 78 H LYS 74 H LYS 74 -1.856 11.193 -11.913 79 HA LYS 74 HA LYS 74 -0.570 13.629 -12.060 80 HB2 LYS 74 1HB LYS 74 -3.197 12.725 -10.991 81 HB3 LYS 74 2HB LYS 74 -2.671 14.353 -10.582 82 HG2 LYS 74 1HG LYS 74 -2.359 14.781 -13.022 83 HG3 LYS 74 2HG LYS 74 -3.104 13.210 -13.331 84 HD2 LYS 74 1HD LYS 74 -4.941 14.572 -13.490 85 HD3 LYS 74 2HD LYS 74 -4.995 14.176 -11.771 86 HE2 LYS 74 1HE LYS 74 -4.072 16.260 -11.162 87 HE3 LYS 74 2HE LYS 74 -3.573 16.610 -12.817 88 HZ1 LYS 74 3HZ LYS 74 -5.606 17.351 -13.362 89 HZ2 LYS 74 1HZ LYS 74 -5.794 17.570 -11.695 90 HZ3 LYS 74 2HZ LYS 74 -6.415 16.185 -12.441 91 HA PRO 75 HA PRO 75 1.388 14.435 -8.218 92 HB2 PRO 75 1HB PRO 75 0.849 17.068 -7.829 93 HB3 PRO 75 2HB PRO 75 1.980 16.490 -9.059 94 HG2 PRO 75 1HG PRO 75 -0.875 17.336 -9.360 95 HG3 PRO 75 2HG PRO 75 0.517 17.707 -10.394 96 HD2 PRO 75 1HD PRO 75 -1.288 15.785 -11.014 97 HD3 PRO 75 2HD PRO 75 0.426 15.667 -11.463 98 H PHE 76 H PHE 76 -1.030 16.869 -7.640 99 HA PHE 76 HA PHE 76 -2.794 15.339 -6.048 100 HB2 PHE 76 1HB PHE 76 -2.141 16.074 -3.825 101 HB3 PHE 76 2HB PHE 76 -0.800 15.219 -4.581 102 HD1 PHE 76 HD1 PHE 76 0.939 16.723 -5.814 103 HD2 PHE 76 HD2 PHE 76 -1.760 18.115 -2.832 104 HE1 PHE 76 HE1 PHE 76 2.409 18.649 -5.388 105 HE2 PHE 76 HE2 PHE 76 -0.295 20.044 -2.402 106 HZ PHE 76 HZ PHE 76 1.792 20.314 -3.680 107 H VAL 77 H VAL 77 -3.680 17.164 -4.225 108 HA VAL 77 HA VAL 77 -4.509 19.405 -5.947 109 HB VAL 77 HB VAL 77 -5.955 18.166 -3.601 110 HG11 VAL 77 1HG1 VAL 77 -6.389 20.656 -5.149 111 HG12 VAL 77 2HG1 VAL 77 -7.813 19.700 -4.733 112 HG13 VAL 77 3HG1 VAL 77 -6.744 20.293 -3.460 113 HG21 VAL 77 3HG2 VAL 77 -5.836 16.944 -5.867 114 HG22 VAL 77 1HG2 VAL 77 -7.416 17.175 -5.119 115 HG23 VAL 77 2HG2 VAL 77 -6.906 18.222 -6.444 116 HA PRO 78 HA PRO 78 -1.953 21.382 -2.664 117 HB2 PRO 78 1HB PRO 78 -0.948 23.297 -4.305 118 HB3 PRO 78 2HB PRO 78 -0.238 21.684 -4.162 119 HG2 PRO 78 1HG PRO 78 -2.085 22.763 -6.257 120 HG3 PRO 78 2HG PRO 78 -0.643 21.749 -6.451 121 HD2 PRO 78 1HD PRO 78 -3.155 20.741 -6.529 122 HD3 PRO 78 2HD PRO 78 -1.775 19.817 -5.903 123 H ASN 79 H ASN 79 -1.798 23.886 -2.267 124 HA ASN 79 HA ASN 79 -4.545 24.909 -2.411 125 HB2 ASN 79 1HB ASN 79 -4.090 26.176 -0.461 126 HB3 ASN 79 2HB ASN 79 -3.363 24.597 -0.174 127 HD21 ASN 79 2HD2 ASN 79 -2.883 27.763 0.240 128 HD22 ASN 79 1HD2 ASN 79 -1.156 27.825 0.216 129 H VAL 80 H VAL 80 -2.531 25.084 -4.580 130 HA VAL 80 HA VAL 80 -2.391 28.022 -4.794 131 HB VAL 80 HB VAL 80 -0.524 26.008 -6.054 132 HG11 VAL 80 1HG1 VAL 80 -0.950 28.910 -6.432 133 HG12 VAL 80 2HG1 VAL 80 0.724 28.355 -6.353 134 HG13 VAL 80 3HG1 VAL 80 -0.371 27.689 -7.566 135 HG21 VAL 80 3HG2 VAL 80 -0.535 26.998 -3.450 136 HG22 VAL 80 1HG2 VAL 80 0.800 26.193 -4.275 137 HG23 VAL 80 2HG2 VAL 80 0.685 27.952 -4.293 138 H HIS 81 H HIS 81 -4.252 28.406 -5.914 139 HA HIS 81 HA HIS 81 -5.027 26.800 -8.172 140 HB2 HIS 81 1HB HIS 81 -6.132 29.478 -7.306 141 HB3 HIS 81 2HB HIS 81 -6.906 28.311 -8.374 142 HD1 HIS 81 HD1 HIS 81 -6.202 25.819 -6.484 143 HD2 HIS 81 HD2 HIS 81 -8.118 29.333 -5.369 144 HE1 HIS 81 HE1 HIS 81 -7.531 25.237 -4.429 145 H ALA 82 H ALA 82 -2.726 27.288 -9.053 146 HA ALA 82 HA ALA 82 -2.796 29.744 -10.675 147 HB1 ALA 82 3HB ALA 82 -0.844 29.740 -9.338 148 HB2 ALA 82 1HB ALA 82 -0.492 28.056 -9.730 149 HB3 ALA 82 2HB ALA 82 -0.327 29.303 -10.967 150 H1 GLY 541 1H GLY 541 5.627 25.289 20.361 151 HA2 GLY 541 1HA GLY 541 6.193 23.113 21.545 152 HA3 GLY 541 2HA GLY 541 4.510 23.271 21.063 153 H GLN 542 H GLN 542 4.053 21.143 20.717 154 HA GLN 542 HA GLN 542 5.525 19.856 18.514 155 HB2 GLN 542 1HB GLN 542 5.152 17.686 19.596 156 HB3 GLN 542 2HB GLN 542 6.094 18.761 20.621 157 HG2 GLN 542 1HG GLN 542 3.771 19.341 21.655 158 HG3 GLN 542 2HG GLN 542 3.296 17.796 20.951 159 HE21 GLN 542 2HE2 GLN 542 3.755 18.833 23.767 160 HE22 GLN 542 1HE2 GLN 542 4.761 17.631 24.492 161 H GLU 543 H GLU 543 4.328 19.075 16.880 162 HA GLU 543 HA GLU 543 1.631 18.223 17.148 163 HB2 GLU 543 1HB GLU 543 1.349 20.705 17.289 164 HB3 GLU 543 2HB GLU 543 2.032 20.830 15.674 165 HG2 GLU 543 1HG GLU 543 0.142 19.189 15.015 166 HG3 GLU 543 2HG GLU 543 -0.597 19.706 16.529 167 HA PRO 544 HA PRO 544 4.086 16.774 13.456 168 HB2 PRO 544 1HB PRO 544 3.852 14.130 14.024 169 HB3 PRO 544 2HB PRO 544 5.152 15.139 14.669 170 HG2 PRO 544 1HG PRO 544 2.605 14.266 15.977 171 HG3 PRO 544 2HG PRO 544 4.244 14.332 16.651 172 HD2 PRO 544 1HD PRO 544 2.387 16.239 17.147 173 HD3 PRO 544 2HD PRO 544 4.123 16.598 17.053 174 H LEU 545 H LEU 545 3.296 15.639 11.620 175 HA LEU 545 HA LEU 545 0.546 15.955 11.123 176 HB2 LEU 545 1HB LEU 545 1.889 16.059 9.238 177 HB3 LEU 545 2HB LEU 545 2.797 14.616 9.684 178 HG LEU 545 HG LEU 545 0.825 13.240 9.111 179 HD11 LEU 545 1HD1 LEU 545 -0.448 15.436 7.623 180 HD12 LEU 545 2HD1 LEU 545 -0.627 15.497 9.376 181 HD13 LEU 545 3HD1 LEU 545 -1.167 14.075 8.483 182 HD21 LEU 545 3HD2 LEU 545 1.538 13.072 6.993 183 HD22 LEU 545 1HD2 LEU 545 2.689 14.328 7.446 184 HD23 LEU 545 2HD2 LEU 545 1.184 14.763 6.635 185 H THR 546 H THR 546 -1.134 14.497 10.966 186 HA THR 546 HA THR 546 -0.756 11.688 11.434 187 HB THR 546 HB THR 546 -2.431 13.055 13.516 188 HG1 THR 546 HG1 THR 546 -0.620 13.096 14.872 189 HG21 THR 546 3HG2 THR 546 -2.846 10.782 13.575 190 HG22 THR 546 1HG2 THR 546 -1.536 10.926 14.745 191 HG23 THR 546 2HG2 THR 546 -1.198 10.362 13.109 192 H ALA 547 H ALA 547 -2.833 10.504 11.437 193 HA ALA 547 HA ALA 547 -4.499 11.330 9.347 194 HB1 ALA 547 3HB ALA 547 -5.805 9.405 9.789 195 HB2 ALA 547 1HB ALA 547 -4.138 8.977 10.179 196 HB3 ALA 547 2HB ALA 547 -5.279 9.348 11.472 197 H SER 548 H SER 548 -4.514 12.177 12.660 198 HA SER 548 HA SER 548 -7.171 12.637 13.236 199 HB2 SER 548 1HB SER 548 -4.772 14.308 14.019 200 HB3 SER 548 2HB SER 548 -6.364 14.426 14.767 201 HG SER 548 HG SER 548 -6.041 12.586 15.785 202 H MET 549 H MET 549 -4.896 14.795 11.568 203 HA MET 549 HA MET 549 -6.720 16.918 11.191 204 HB2 MET 549 1HB MET 549 -5.078 17.917 9.876 205 HB3 MET 549 2HB MET 549 -4.143 16.892 10.956 206 HG2 MET 549 1HG MET 549 -3.835 15.254 9.249 207 HG3 MET 549 2HG MET 549 -4.960 16.087 8.178 208 HE1 MET 549 3HE MET 549 -0.983 17.971 9.509 209 HE2 MET 549 1HE MET 549 -2.514 18.497 10.210 210 HE3 MET 549 2HE MET 549 -1.962 16.838 10.441 211 H LEU 550 H LEU 550 -6.103 13.973 9.431 212 HA LEU 550 HA LEU 550 -7.776 14.825 7.198 213 HB2 LEU 550 1HB LEU 550 -5.827 12.671 7.693 214 HB3 LEU 550 2HB LEU 550 -7.190 12.244 6.660 215 HG LEU 550 HG LEU 550 -6.506 14.424 5.374 216 HD11 LEU 550 1HD1 LEU 550 -3.763 14.044 5.646 217 HD12 LEU 550 2HD1 LEU 550 -4.377 14.124 7.297 218 HD13 LEU 550 3HD1 LEU 550 -4.702 15.442 6.171 219 HD21 LEU 550 3HD2 LEU 550 -5.080 11.775 5.243 220 HD22 LEU 550 1HD2 LEU 550 -4.909 13.035 4.021 221 HD23 LEU 550 2HD2 LEU 550 -6.485 12.299 4.312 222 H ALA 551 H ALA 551 -8.670 14.158 10.057 223 HA ALA 551 HA ALA 551 -10.522 11.960 9.505 224 HB1 ALA 551 3HB ALA 551 -10.113 13.415 12.110 225 HB2 ALA 551 1HB ALA 551 -10.934 11.875 11.854 226 HB3 ALA 551 2HB ALA 551 -9.189 11.995 11.619 227 H SER 552 H SER 552 -10.589 15.305 10.731 228 HA SER 552 HA SER 552 -13.458 15.422 10.132 229 HB2 SER 552 1HB SER 552 -11.793 17.452 11.634 230 HB3 SER 552 2HB SER 552 -13.552 17.358 11.563 231 HG SER 552 HG SER 552 -12.225 16.380 13.438 232 H ALA 553 H ALA 553 -11.628 15.429 7.972 233 HA ALA 553 HA ALA 553 -12.089 18.141 6.922 234 HB1 ALA 553 3HB ALA 553 -9.845 18.336 6.979 235 HB2 ALA 553 1HB ALA 553 -9.588 16.591 7.032 236 HB3 ALA 553 2HB ALA 553 -9.929 17.387 5.495 237 HA PRO 554 HA PRO 554 -14.010 16.304 3.432 238 HB2 PRO 554 1HB PRO 554 -13.174 17.896 1.398 239 HB3 PRO 554 2HB PRO 554 -14.341 18.426 2.615 240 HG2 PRO 554 1HG PRO 554 -11.400 18.961 2.450 241 HG3 PRO 554 2HG PRO 554 -12.718 20.073 2.864 242 HD2 PRO 554 1HD PRO 554 -11.140 18.921 4.739 243 HD3 PRO 554 2HD PRO 554 -12.846 19.311 5.036 244 HA PRO 555 HA PRO 555 -11.392 13.526 1.249 245 HB2 PRO 555 1HB PRO 555 -12.595 13.347 -1.178 246 HB3 PRO 555 2HB PRO 555 -13.280 12.636 0.289 247 HG2 PRO 555 1HG PRO 555 -13.967 15.216 -1.065 248 HG3 PRO 555 2HG PRO 555 -15.048 13.997 -0.366 249 HD2 PRO 555 1HD PRO 555 -14.405 16.287 0.928 250 HD3 PRO 555 2HD PRO 555 -14.731 14.766 1.784 251 H GLN 556 H GLN 556 -11.693 16.746 0.237 252 HA GLN 556 HA GLN 556 -9.722 16.464 -1.904 253 HB2 GLN 556 1HB GLN 556 -11.553 18.675 -1.031 254 HB3 GLN 556 2HB GLN 556 -10.166 19.023 -2.055 255 HG2 GLN 556 1HG GLN 556 -11.094 17.166 -3.574 256 HG3 GLN 556 2HG GLN 556 -12.589 17.379 -2.663 257 HE21 GLN 556 2HE2 GLN 556 -13.198 19.783 -2.424 258 HE22 GLN 556 1HE2 GLN 556 -13.121 20.713 -3.877 259 H GLU 557 H GLU 557 -10.176 18.084 1.211 260 HA GLU 557 HA GLU 557 -7.689 19.412 1.257 261 HB2 GLU 557 1HB GLU 557 -9.659 18.609 3.376 262 HB3 GLU 557 2HB GLU 557 -8.116 19.328 3.817 263 HG2 GLU 557 1HG GLU 557 -9.858 20.680 1.810 264 HG3 GLU 557 2HG GLU 557 -10.221 20.821 3.529 265 H GLN 558 H GLN 558 -8.562 16.132 1.769 266 HA GLN 558 HA GLN 558 -6.576 15.254 3.510 267 HB2 GLN 558 1HB GLN 558 -7.762 13.772 1.157 268 HB3 GLN 558 2HB GLN 558 -6.897 13.037 2.500 269 HG2 GLN 558 1HG GLN 558 -8.847 14.458 3.780 270 HG3 GLN 558 2HG GLN 558 -9.666 13.931 2.310 271 HE21 GLN 558 2HE2 GLN 558 -9.818 13.154 5.229 272 HE22 GLN 558 1HE2 GLN 558 -9.712 11.430 5.211 273 H LYS 559 H LYS 559 -6.466 14.657 0.003 274 HA LYS 559 HA LYS 559 -3.755 14.096 -0.137 275 HB2 LYS 559 1HB LYS 559 -3.961 14.659 -2.565 276 HB3 LYS 559 2HB LYS 559 -5.191 13.548 -1.978 277 HG2 LYS 559 1HG LYS 559 -6.626 15.680 -1.674 278 HG3 LYS 559 2HG LYS 559 -5.462 16.413 -2.780 279 HD2 LYS 559 1HD LYS 559 -7.093 13.932 -3.323 280 HD3 LYS 559 2HD LYS 559 -7.415 15.540 -3.974 281 HE2 LYS 559 1HE LYS 559 -4.997 15.397 -4.878 282 HE3 LYS 559 2HE LYS 559 -5.161 13.665 -4.592 283 HZ1 LYS 559 3HZ LYS 559 -6.585 13.430 -6.298 284 HZ2 LYS 559 1HZ LYS 559 -5.872 14.858 -6.859 285 HZ3 LYS 559 2HZ LYS 559 -7.346 14.917 -6.034 286 H GLN 560 H GLN 560 -5.401 17.172 -0.081 287 HA GLN 560 HA GLN 560 -3.294 18.788 -1.027 288 HB2 GLN 560 1HB GLN 560 -5.671 19.510 -0.808 289 HB3 GLN 560 2HB GLN 560 -5.459 19.553 0.937 290 HG2 GLN 560 1HG GLN 560 -4.208 21.449 0.883 291 HG3 GLN 560 2HG GLN 560 -3.556 21.107 -0.719 292 HE21 GLN 560 2HE2 GLN 560 -5.119 23.381 0.705 293 HE22 GLN 560 1HE2 GLN 560 -6.296 23.829 -0.478 294 H MET 561 H MET 561 -4.429 18.457 2.342 295 HA MET 561 HA MET 561 -2.233 19.684 3.532 296 HB2 MET 561 1HB MET 561 -4.033 17.529 4.650 297 HB3 MET 561 2HB MET 561 -2.938 18.518 5.606 298 HG2 MET 561 1HG MET 561 -4.170 20.507 5.045 299 HG3 MET 561 2HG MET 561 -5.207 19.595 3.951 300 HE1 MET 561 3HE MET 561 -6.004 17.289 4.837 301 HE2 MET 561 1HE MET 561 -6.731 17.035 6.424 302 HE3 MET 561 2HE MET 561 -7.565 18.016 5.219 303 H LEU 562 H LEU 562 -2.868 16.183 3.254 304 HA LEU 562 HA LEU 562 -0.510 15.234 4.310 305 HB2 LEU 562 1HB LEU 562 -2.393 13.809 3.709 306 HB3 LEU 562 2HB LEU 562 -2.083 14.104 1.999 307 HG LEU 562 HG LEU 562 0.112 12.904 3.598 308 HD11 LEU 562 1HD1 LEU 562 -0.938 11.041 4.181 309 HD12 LEU 562 2HD1 LEU 562 -1.584 10.836 2.554 310 HD13 LEU 562 3HD1 LEU 562 -2.460 11.810 3.734 311 HD21 LEU 562 3HD2 LEU 562 0.913 12.599 1.554 312 HD22 LEU 562 1HD2 LEU 562 -0.539 13.335 0.874 313 HD23 LEU 562 2HD2 LEU 562 -0.479 11.593 1.146 314 H GLY 563 H GLY 563 -1.149 15.672 0.820 315 HA2 GLY 563 1HA GLY 563 1.436 15.183 -0.077 316 HA3 GLY 563 2HA GLY 563 0.262 16.186 -0.915 317 H GLU 564 H GLU 564 -0.002 18.220 1.030 318 HA GLU 564 HA GLU 564 2.031 19.963 0.283 319 HB2 GLU 564 1HB GLU 564 -0.024 19.980 2.456 320 HB3 GLU 564 2HB GLU 564 1.232 21.211 2.460 321 HG2 GLU 564 1HG GLU 564 0.536 22.073 0.381 322 HG3 GLU 564 2HG GLU 564 -0.490 20.676 0.062 323 H ARG 565 H ARG 565 1.615 18.277 3.395 324 HA ARG 565 HA ARG 565 4.116 19.164 4.433 325 HB2 ARG 565 1HB ARG 565 2.123 17.078 5.281 326 HB3 ARG 565 2HB ARG 565 3.662 17.256 6.112 327 HG2 ARG 565 1HG ARG 565 2.818 19.814 6.122 328 HG3 ARG 565 2HG ARG 565 1.272 18.965 6.166 329 HD2 ARG 565 1HD ARG 565 2.094 19.435 8.418 330 HD3 ARG 565 2HD ARG 565 2.009 17.701 8.115 331 HE ARG 565 HE ARG 565 4.583 18.465 7.481 332 HH11 ARG 565 1HH1 ARG 565 2.533 18.506 10.295 333 HH12 ARG 565 2HH1 ARG 565 3.846 18.349 11.414 334 HH21 ARG 565 1HH2 ARG 565 6.320 18.258 8.946 335 HH22 ARG 565 2HH2 ARG 565 6.000 18.209 10.646 336 H LEU 566 H LEU 566 3.130 16.547 2.414 337 HA LEU 566 HA LEU 566 5.382 14.856 2.929 338 HB2 LEU 566 1HB LEU 566 2.983 14.781 1.337 339 HB3 LEU 566 2HB LEU 566 4.373 14.251 0.391 340 HG LEU 566 HG LEU 566 4.848 12.661 2.353 341 HD11 LEU 566 1HD1 LEU 566 2.026 13.505 2.960 342 HD12 LEU 566 2HD1 LEU 566 3.425 13.525 4.033 343 HD13 LEU 566 3HD1 LEU 566 2.723 11.988 3.527 344 HD21 LEU 566 3HD2 LEU 566 4.226 11.445 0.561 345 HD22 LEU 566 1HD2 LEU 566 2.843 12.480 0.204 346 HD23 LEU 566 2HD2 LEU 566 2.724 11.252 1.465 347 H PHE 567 H PHE 567 4.704 17.519 0.807 348 HA PHE 567 HA PHE 567 6.502 17.190 -1.240 349 HB2 PHE 567 1HB PHE 567 4.978 19.310 -0.205 350 HB3 PHE 567 2HB PHE 567 6.631 19.912 -0.280 351 HD1 PHE 567 HD1 PHE 567 7.675 18.569 -2.655 352 HD2 PHE 567 HD2 PHE 567 3.863 20.328 -1.954 353 HE1 PHE 567 HE1 PHE 567 7.420 18.971 -5.069 354 HE2 PHE 567 HE2 PHE 567 3.601 20.731 -4.366 355 HZ PHE 567 HZ PHE 567 5.380 20.052 -5.928 356 HA PRO 568 HA PRO 568 10.022 19.149 1.426 357 HB2 PRO 568 1HB PRO 568 9.549 19.459 4.082 358 HB3 PRO 568 2HB PRO 568 9.167 20.704 2.886 359 HG2 PRO 568 1HG PRO 568 7.359 18.695 4.172 360 HG3 PRO 568 2HG PRO 568 7.073 20.416 3.854 361 HD2 PRO 568 1HD PRO 568 6.073 18.456 2.275 362 HD3 PRO 568 2HD PRO 568 6.541 20.047 1.642 363 H LEU 569 H LEU 569 7.973 16.809 3.119 364 HA LEU 569 HA LEU 569 9.872 15.477 4.620 365 HB2 LEU 569 1HB LEU 569 7.304 15.156 4.421 366 HB3 LEU 569 2HB LEU 569 7.721 13.970 3.186 367 HG LEU 569 HG LEU 569 7.291 12.946 5.380 368 HD11 LEU 569 1HD1 LEU 569 10.213 12.617 4.875 369 HD12 LEU 569 2HD1 LEU 569 9.052 12.151 3.633 370 HD13 LEU 569 3HD1 LEU 569 8.987 11.399 5.227 371 HD21 LEU 569 3HD2 LEU 569 8.205 13.651 7.292 372 HD22 LEU 569 1HD2 LEU 569 8.638 15.109 6.399 373 HD23 LEU 569 2HD2 LEU 569 9.810 13.802 6.574 374 H ILE 570 H ILE 570 8.972 14.956 1.232 375 HA ILE 570 HA ILE 570 10.816 12.795 0.865 376 HB ILE 570 HB ILE 570 9.215 14.461 -1.067 377 HG12 ILE 570 1HG1 ILE 570 8.967 11.510 -0.828 378 HG13 ILE 570 2HG1 ILE 570 8.384 12.468 0.529 379 HG21 ILE 570 1HG2 ILE 570 11.197 12.273 -1.651 380 HG22 ILE 570 2HG2 ILE 570 9.948 12.778 -2.788 381 HG23 ILE 570 3HG2 ILE 570 11.187 13.923 -2.274 382 HD11 ILE 570 3HD1 ILE 570 6.627 13.272 -0.625 383 HD12 ILE 570 1HD1 ILE 570 7.513 13.337 -2.148 384 HD13 ILE 570 2HD1 ILE 570 6.870 11.801 -1.567 385 H GLN 571 H GLN 571 10.898 16.264 0.427 386 HA GLN 571 HA GLN 571 13.143 16.480 -1.225 387 HB2 GLN 571 1HB GLN 571 12.046 18.318 0.899 388 HB3 GLN 571 2HB GLN 571 13.408 18.752 -0.124 389 HG2 GLN 571 1HG GLN 571 12.093 18.778 -2.060 390 HG3 GLN 571 2HG GLN 571 10.777 17.902 -1.279 391 HE21 GLN 571 2HE2 GLN 571 9.450 19.638 -2.113 392 HE22 GLN 571 1HE2 GLN 571 9.329 21.115 -1.226 393 H ALA 572 H ALA 572 12.878 15.496 2.039 394 HA ALA 572 HA ALA 572 15.330 16.273 3.110 395 HB1 ALA 572 3HB ALA 572 13.216 14.870 4.041 396 HB2 ALA 572 1HB ALA 572 14.409 13.583 3.862 397 HB3 ALA 572 2HB ALA 572 14.769 14.986 4.869 398 H MET 573 H MET 573 14.592 13.902 0.712 399 HA MET 573 HA MET 573 17.425 13.105 0.669 400 HB2 MET 573 1HB MET 573 16.395 10.897 -0.343 401 HB3 MET 573 2HB MET 573 16.539 11.115 1.396 402 HG2 MET 573 1HG MET 573 14.031 12.060 0.171 403 HG3 MET 573 2HG MET 573 14.295 10.318 0.173 404 HE1 MET 573 3HE MET 573 11.950 11.181 1.232 405 HE2 MET 573 1HE MET 573 12.129 9.753 2.252 406 HE3 MET 573 2HE MET 573 11.737 11.312 2.978 407 H HIS 574 H HIS 574 14.427 13.487 -1.167 408 HA HIS 574 HA HIS 574 16.059 13.900 -3.585 409 HB2 HIS 574 1HB HIS 574 13.477 12.420 -3.217 410 HB3 HIS 574 2HB HIS 574 13.846 13.167 -4.769 411 HD1 HIS 574 HD1 HIS 574 15.671 12.079 -6.202 412 HD2 HIS 574 HD2 HIS 574 15.088 10.208 -2.539 413 HE1 HIS 574 HE1 HIS 574 16.928 9.905 -6.350 414 HA PRO 575 HA PRO 575 13.694 17.774 -2.614 415 HB2 PRO 575 1HB PRO 575 15.784 19.443 -3.079 416 HB3 PRO 575 2HB PRO 575 15.495 18.680 -1.511 417 HG2 PRO 575 1HG PRO 575 17.393 17.883 -3.684 418 HG3 PRO 575 2HG PRO 575 17.658 17.936 -1.932 419 HD2 PRO 575 1HD PRO 575 17.130 15.634 -3.257 420 HD3 PRO 575 2HD PRO 575 16.603 15.916 -1.585 421 H THR 576 H THR 576 15.239 16.367 -5.267 422 HA THR 576 HA THR 576 14.602 18.538 -7.108 423 HB THR 576 HB THR 576 15.536 16.871 -8.829 424 HG1 THR 576 HG1 THR 576 16.846 15.233 -7.902 425 HG21 THR 576 3HG2 THR 576 17.407 17.790 -6.646 426 HG22 THR 576 1HG2 THR 576 16.756 18.839 -7.904 427 HG23 THR 576 2HG2 THR 576 17.810 17.493 -8.337 428 H LEU 577 H LEU 577 13.893 15.049 -6.850 429 HA LEU 577 HA LEU 577 11.600 15.387 -8.616 430 HB2 LEU 577 1HB LEU 577 12.827 12.931 -7.373 431 HB3 LEU 577 2HB LEU 577 11.439 12.916 -8.458 432 HG LEU 577 HG LEU 577 13.265 12.302 -9.790 433 HD11 LEU 577 1HD1 LEU 577 11.803 14.448 -10.430 434 HD12 LEU 577 2HD1 LEU 577 13.058 13.790 -11.479 435 HD13 LEU 577 3HD1 LEU 577 13.409 15.178 -10.450 436 HD21 LEU 577 3HD2 LEU 577 15.013 14.592 -9.346 437 HD22 LEU 577 1HD2 LEU 577 15.392 12.871 -9.420 438 HD23 LEU 577 2HD2 LEU 577 14.808 13.581 -7.915 439 H ALA 578 H ALA 578 11.865 16.262 -5.673 440 HA ALA 578 HA ALA 578 10.233 14.793 -4.002 441 HB1 ALA 578 3HB ALA 578 9.977 16.741 -2.693 442 HB2 ALA 578 1HB ALA 578 11.565 16.871 -3.450 443 HB3 ALA 578 2HB ALA 578 10.205 17.799 -4.085 444 H GLY 579 H GLY 579 9.328 17.053 -6.554 445 HA2 GLY 579 1HA GLY 579 6.573 17.201 -5.934 446 HA3 GLY 579 2HA GLY 579 7.296 17.565 -7.494 447 H LYS 580 H LYS 580 8.244 15.291 -8.440 448 HA LYS 580 HA LYS 580 5.956 13.876 -9.263 449 HB2 LYS 580 1HB LYS 580 8.898 13.241 -9.483 450 HB3 LYS 580 2HB LYS 580 7.647 12.243 -10.212 451 HG2 LYS 580 1HG LYS 580 6.878 14.287 -11.448 452 HG3 LYS 580 2HG LYS 580 8.330 15.098 -10.857 453 HD2 LYS 580 1HD LYS 580 9.674 13.999 -12.289 454 HD3 LYS 580 2HD LYS 580 8.803 12.476 -12.091 455 HE2 LYS 580 1HE LYS 580 8.660 13.395 -14.386 456 HE3 LYS 580 2HE LYS 580 7.087 13.201 -13.613 457 HZ1 LYS 580 3HZ LYS 580 7.980 15.457 -14.816 458 HZ2 LYS 580 1HZ LYS 580 8.255 15.789 -13.180 459 HZ3 LYS 580 2HZ LYS 580 6.702 15.380 -13.710 460 H ILE 581 H ILE 581 8.421 13.172 -6.838 461 HA ILE 581 HA ILE 581 7.677 10.536 -6.252 462 HB ILE 581 HB ILE 581 8.910 12.629 -4.460 463 HG12 ILE 581 1HG1 ILE 581 10.307 10.263 -5.672 464 HG13 ILE 581 2HG1 ILE 581 10.074 11.732 -6.613 465 HG21 ILE 581 1HG2 ILE 581 8.585 9.664 -4.032 466 HG22 ILE 581 2HG2 ILE 581 9.618 10.710 -3.059 467 HG23 ILE 581 3HG2 ILE 581 7.873 10.961 -3.072 468 HD11 ILE 581 3HD1 ILE 581 12.251 11.756 -5.612 469 HD12 ILE 581 1HD1 ILE 581 11.254 12.996 -4.853 470 HD13 ILE 581 2HD1 ILE 581 11.562 11.476 -4.013 471 H THR 582 H THR 582 6.875 13.477 -4.393 472 HA THR 582 HA THR 582 5.034 12.300 -2.672 473 HB THR 582 HB THR 582 6.005 14.612 -2.448 474 HG1 THR 582 HG1 THR 582 3.184 14.724 -2.266 475 HG21 THR 582 3HG2 THR 582 3.812 15.305 -4.406 476 HG22 THR 582 1HG2 THR 582 5.544 15.401 -4.721 477 HG23 THR 582 2HG2 THR 582 4.806 16.460 -3.519 478 H GLY 583 H GLY 583 4.624 13.544 -5.932 479 HA2 GLY 583 1HA GLY 583 1.821 13.639 -6.017 480 HA3 GLY 583 2HA GLY 583 2.871 13.412 -7.407 481 H MET 584 H MET 584 3.933 11.055 -7.286 482 HA MET 584 HA MET 584 1.837 9.261 -7.817 483 HB2 MET 584 1HB MET 584 4.708 8.554 -7.198 484 HB3 MET 584 2HB MET 584 3.553 7.582 -8.100 485 HG2 MET 584 1HG MET 584 3.555 9.117 -9.914 486 HG3 MET 584 2HG MET 584 4.479 10.298 -8.989 487 HE1 MET 584 3HE MET 584 7.976 8.671 -8.722 488 HE2 MET 584 1HE MET 584 7.220 10.257 -8.878 489 HE3 MET 584 2HE MET 584 6.661 9.132 -7.640 490 H LEU 585 H LEU 585 3.990 9.582 -5.018 491 HA LEU 585 HA LEU 585 3.049 7.348 -3.598 492 HB2 LEU 585 1HB LEU 585 4.544 9.822 -2.920 493 HB3 LEU 585 2HB LEU 585 3.836 8.902 -1.594 494 HG LEU 585 HG LEU 585 5.170 6.993 -2.104 495 HD11 LEU 585 1HD1 LEU 585 5.615 8.413 -4.671 496 HD12 LEU 585 2HD1 LEU 585 5.337 6.701 -4.354 497 HD13 LEU 585 3HD1 LEU 585 6.923 7.409 -4.045 498 HD21 LEU 585 3HD2 LEU 585 6.583 8.188 -0.816 499 HD22 LEU 585 1HD2 LEU 585 6.459 9.628 -1.825 500 HD23 LEU 585 2HD2 LEU 585 7.517 8.302 -2.308 501 H LEU 586 H LEU 586 1.743 10.522 -4.050 502 HA LEU 586 HA LEU 586 -0.077 10.363 -1.816 503 HB2 LEU 586 1HB LEU 586 0.704 12.529 -2.452 504 HB3 LEU 586 2HB LEU 586 0.183 12.286 -4.118 505 HG LEU 586 HG LEU 586 -1.939 12.167 -2.068 506 HD11 LEU 586 1HD1 LEU 586 -1.023 14.004 -1.051 507 HD12 LEU 586 2HD1 LEU 586 -1.984 14.778 -2.311 508 HD13 LEU 586 3HD1 LEU 586 -0.246 14.573 -2.529 509 HD21 LEU 586 3HD2 LEU 586 -2.666 13.912 -4.047 510 HD22 LEU 586 1HD2 LEU 586 -2.994 12.179 -4.040 511 HD23 LEU 586 2HD2 LEU 586 -1.585 12.806 -4.896 512 H GLU 587 H GLU 587 -0.049 9.430 -5.134 513 HA GLU 587 HA GLU 587 -2.901 9.329 -5.457 514 HB2 GLU 587 1HB GLU 587 -1.145 9.572 -7.307 515 HB3 GLU 587 2HB GLU 587 -0.883 7.843 -7.127 516 HG2 GLU 587 1HG GLU 587 -3.555 7.879 -7.388 517 HG3 GLU 587 2HG GLU 587 -3.133 9.306 -8.334 518 H ILE 588 H ILE 588 -0.372 6.828 -5.191 519 HA ILE 588 HA ILE 588 -1.697 4.521 -5.225 520 HB ILE 588 HB ILE 588 -0.283 3.997 -2.987 521 HG12 ILE 588 1HG1 ILE 588 1.366 6.158 -4.255 522 HG13 ILE 588 2HG1 ILE 588 0.210 6.566 -2.991 523 HG21 ILE 588 1HG2 ILE 588 0.197 3.935 -5.851 524 HG22 ILE 588 2HG2 ILE 588 1.688 4.032 -4.916 525 HG23 ILE 588 3HG2 ILE 588 0.545 2.722 -4.619 526 HD11 ILE 588 3HD1 ILE 588 2.527 4.662 -2.758 527 HD12 ILE 588 1HD1 ILE 588 2.398 6.268 -2.042 528 HD13 ILE 588 2HD1 ILE 588 1.337 4.970 -1.494 529 H ASP 589 H ASP 589 -1.405 6.329 -2.160 530 HA ASP 589 HA ASP 589 -4.084 6.269 -1.449 531 HB2 ASP 589 1HB ASP 589 -2.749 3.718 -1.081 532 HB3 ASP 589 2HB ASP 589 -3.359 4.351 0.445 533 H ASN 590 H ASN 590 -3.972 8.081 -0.293 534 HA ASN 590 HA ASN 590 -1.800 9.054 1.115 535 HB2 ASN 590 1HB ASN 590 -4.756 9.560 1.357 536 HB3 ASN 590 2HB ASN 590 -3.609 10.370 2.421 537 HD21 ASN 590 2HD2 ASN 590 -5.384 11.487 0.408 538 HD22 ASN 590 1HD2 ASN 590 -4.374 12.338 -0.706 539 H SER 591 H SER 591 -4.545 7.162 2.337 540 HA SER 591 HA SER 591 -3.972 7.156 5.031 541 HB2 SER 591 1HB SER 591 -5.878 5.983 3.583 542 HB3 SER 591 2HB SER 591 -4.843 4.574 3.817 543 HG SER 591 HG SER 591 -6.091 6.181 5.784 544 H GLU 592 H GLU 592 -2.628 5.073 2.504 545 HA GLU 592 HA GLU 592 -1.127 3.390 4.178 546 HB2 GLU 592 1HB GLU 592 -1.618 2.962 1.771 547 HB3 GLU 592 2HB GLU 592 -0.463 4.218 1.348 548 HG2 GLU 592 1HG GLU 592 1.325 2.941 2.403 549 HG3 GLU 592 2HG GLU 592 0.170 1.685 2.845 550 H LEU 593 H LEU 593 -0.353 6.482 2.657 551 HA LEU 593 HA LEU 593 2.377 6.546 3.346 552 HB2 LEU 593 1HB LEU 593 0.780 9.056 3.209 553 HB3 LEU 593 2HB LEU 593 2.388 8.712 2.577 554 HG LEU 593 HG LEU 593 -0.246 7.849 1.388 555 HD11 LEU 593 1HD1 LEU 593 -0.068 9.566 -0.037 556 HD12 LEU 593 2HD1 LEU 593 1.679 9.389 -0.192 557 HD13 LEU 593 3HD1 LEU 593 1.000 10.259 1.183 558 HD21 LEU 593 3HD2 LEU 593 0.955 6.734 -0.315 559 HD22 LEU 593 1HD2 LEU 593 1.636 6.169 1.211 560 HD23 LEU 593 2HD2 LEU 593 2.499 7.372 0.252 561 H LEU 594 H LEU 594 -0.525 7.616 5.043 562 HA LEU 594 HA LEU 594 0.787 8.944 7.163 563 HB2 LEU 594 1HB LEU 594 -1.941 7.865 6.687 564 HB3 LEU 594 2HB LEU 594 -1.482 8.253 8.343 565 HG LEU 594 HG LEU 594 -1.461 10.189 6.028 566 HD11 LEU 594 1HD1 LEU 594 -3.325 11.201 7.540 567 HD12 LEU 594 2HD1 LEU 594 -3.474 9.549 8.137 568 HD13 LEU 594 3HD1 LEU 594 -3.709 9.891 6.423 569 HD21 LEU 594 3HD2 LEU 594 -1.468 11.311 8.687 570 HD22 LEU 594 1HD2 LEU 594 -0.377 11.621 7.337 571 HD23 LEU 594 2HD2 LEU 594 -0.062 10.276 8.433 572 H HIS 595 H HIS 595 0.639 5.682 6.371 573 HA HIS 595 HA HIS 595 1.280 4.901 9.139 574 HB2 HIS 595 1HB HIS 595 -0.781 3.905 7.778 575 HB3 HIS 595 2HB HIS 595 0.472 2.847 7.136 576 HD1 HIS 595 HD1 HIS 595 1.237 0.952 8.598 577 HD2 HIS 595 HD2 HIS 595 -1.138 3.687 10.633 578 HE1 HIS 595 HE1 HIS 595 0.767 -0.099 10.833 579 H MET 596 H MET 596 2.489 5.301 6.024 580 HA MET 596 HA MET 596 4.548 3.260 6.269 581 HB2 MET 596 1HB MET 596 3.673 5.143 4.119 582 HB3 MET 596 2HB MET 596 5.303 4.484 4.059 583 HG2 MET 596 1HG MET 596 4.161 2.198 4.325 584 HG3 MET 596 2HG MET 596 2.687 3.049 3.870 585 HE1 MET 596 3HE MET 596 3.851 5.247 2.003 586 HE2 MET 596 1HE MET 596 3.886 4.558 0.380 587 HE3 MET 596 2HE MET 596 2.456 4.355 1.393 588 H LEU 597 H LEU 597 4.119 6.669 6.743 589 HA LEU 597 HA LEU 597 6.868 7.400 6.684 590 HB2 LEU 597 1HB LEU 597 6.187 9.506 7.398 591 HB3 LEU 597 2HB LEU 597 4.820 8.907 6.461 592 HG LEU 597 HG LEU 597 3.883 9.969 8.333 593 HD11 LEU 597 1HD1 LEU 597 2.775 8.190 9.533 594 HD12 LEU 597 2HD1 LEU 597 4.016 7.041 9.035 595 HD13 LEU 597 3HD1 LEU 597 2.938 7.749 7.833 596 HD21 LEU 597 3HD2 LEU 597 6.261 9.623 9.555 597 HD22 LEU 597 1HD2 LEU 597 5.291 8.420 10.405 598 HD23 LEU 597 2HD2 LEU 597 4.787 10.111 10.393 599 H GLU 598 H GLU 598 5.176 5.492 8.802 600 HA GLU 598 HA GLU 598 6.558 6.342 11.212 601 HB2 GLU 598 1HB GLU 598 4.822 3.900 10.850 602 HB3 GLU 598 2HB GLU 598 5.259 4.689 12.359 603 HG2 GLU 598 1HG GLU 598 4.048 6.718 11.008 604 HG3 GLU 598 2HG GLU 598 3.137 5.316 10.450 605 H SER 599 H SER 599 7.404 4.597 8.571 606 HA SER 599 HA SER 599 9.421 3.100 10.090 607 HB2 SER 599 1HB SER 599 7.275 1.906 8.711 608 HB3 SER 599 2HB SER 599 8.698 1.655 7.700 609 HG SER 599 HG SER 599 9.713 0.649 9.408 610 HA PRO 600 HA PRO 600 12.186 5.039 7.255 611 HB2 PRO 600 1HB PRO 600 14.347 3.449 7.666 612 HB3 PRO 600 2HB PRO 600 13.813 4.664 8.834 613 HG2 PRO 600 1HG PRO 600 13.330 1.710 8.820 614 HG3 PRO 600 2HG PRO 600 13.768 2.765 10.176 615 HD2 PRO 600 1HD PRO 600 11.230 1.925 9.743 616 HD3 PRO 600 2HD PRO 600 11.603 3.505 10.462 617 H GLU 601 H GLU 601 12.228 1.469 7.233 618 HA GLU 601 HA GLU 601 13.239 1.170 4.640 619 HB2 GLU 601 1HB GLU 601 13.041 -0.615 6.418 620 HB3 GLU 601 2HB GLU 601 11.336 -0.734 6.005 621 HG2 GLU 601 1HG GLU 601 11.796 -1.567 3.865 622 HG3 GLU 601 2HG GLU 601 13.488 -1.080 3.948 623 H SER 602 H SER 602 10.141 2.128 5.732 624 HA SER 602 HA SER 602 8.775 1.389 3.282 625 HB2 SER 602 1HB SER 602 7.869 2.905 5.738 626 HB3 SER 602 2HB SER 602 6.829 2.573 4.353 627 HG SER 602 HG SER 602 6.481 0.709 5.232 628 H LEU 603 H LEU 603 9.448 4.443 4.999 629 HA LEU 603 HA LEU 603 8.587 6.190 3.025 630 HB2 LEU 603 1HB LEU 603 9.029 7.185 5.061 631 HB3 LEU 603 2HB LEU 603 10.588 6.382 5.230 632 HG LEU 603 HG LEU 603 11.536 7.883 3.536 633 HD11 LEU 603 1HD1 LEU 603 10.266 9.063 2.158 634 HD12 LEU 603 2HD1 LEU 603 9.500 9.889 3.514 635 HD13 LEU 603 3HD1 LEU 603 8.835 8.368 2.918 636 HD21 LEU 603 3HD2 LEU 603 10.413 8.770 6.098 637 HD22 LEU 603 1HD2 LEU 603 10.851 10.071 4.991 638 HD23 LEU 603 2HD2 LEU 603 12.061 8.883 5.477 639 H ARG 604 H ARG 604 11.940 5.125 3.628 640 HA ARG 604 HA ARG 604 13.106 6.350 1.420 641 HB2 ARG 604 1HB ARG 604 14.242 5.186 3.393 642 HB3 ARG 604 2HB ARG 604 13.998 3.686 2.509 643 HG2 ARG 604 1HG ARG 604 15.333 4.530 0.664 644 HG3 ARG 604 2HG ARG 604 15.543 6.067 1.505 645 HD2 ARG 604 1HD ARG 604 16.324 3.551 2.894 646 HD3 ARG 604 2HD ARG 604 17.375 4.179 1.626 647 HE ARG 604 HE ARG 604 16.689 6.220 3.470 648 HH11 ARG 604 1HH1 ARG 604 18.705 3.407 3.097 649 HH12 ARG 604 2HH1 ARG 604 19.908 3.960 4.215 650 HH21 ARG 604 1HH2 ARG 604 18.265 6.959 4.944 651 HH22 ARG 604 2HH2 ARG 604 19.656 5.980 5.266 652 H SER 605 H SER 605 11.606 3.159 1.713 653 HA SER 605 HA SER 605 12.275 2.122 -0.779 654 HB2 SER 605 1HB SER 605 11.286 0.585 0.674 655 HB3 SER 605 2HB SER 605 9.961 1.674 1.084 656 HG SER 605 HG SER 605 9.014 0.331 -0.301 657 H LYS 606 H LYS 606 9.330 3.906 0.140 658 HA LYS 606 HA LYS 606 8.131 3.983 -2.368 659 HB2 LYS 606 1HB LYS 606 8.020 6.019 -0.136 660 HB3 LYS 606 2HB LYS 606 6.937 6.001 -1.522 661 HG2 LYS 606 1HG LYS 606 7.180 3.884 0.604 662 HG3 LYS 606 2HG LYS 606 5.839 5.007 0.368 663 HD2 LYS 606 1HD LYS 606 6.720 2.855 -1.558 664 HD3 LYS 606 2HD LYS 606 5.295 2.801 -0.518 665 HE2 LYS 606 1HE LYS 606 4.371 4.742 -1.678 666 HE3 LYS 606 2HE LYS 606 5.804 4.820 -2.702 667 HZ1 LYS 606 3HZ LYS 606 5.185 2.441 -3.339 668 HZ2 LYS 606 1HZ LYS 606 4.248 3.694 -3.981 669 HZ3 LYS 606 2HZ LYS 606 3.665 2.785 -2.680 670 H VAL 607 H VAL 607 10.153 6.500 -0.850 671 HA VAL 607 HA VAL 607 10.253 8.266 -2.985 672 HB VAL 607 HB VAL 607 12.425 7.696 -0.963 673 HG11 VAL 607 1HG1 VAL 607 13.545 8.930 -2.551 674 HG12 VAL 607 2HG1 VAL 607 12.098 9.811 -3.044 675 HG13 VAL 607 3HG1 VAL 607 12.895 10.205 -1.521 676 HG21 VAL 607 3HG2 VAL 607 10.666 10.071 -0.774 677 HG22 VAL 607 1HG2 VAL 607 9.951 8.509 -0.372 678 HG23 VAL 607 2HG2 VAL 607 11.374 9.079 0.500 679 H ASP 608 H ASP 608 12.534 5.647 -2.200 680 HA ASP 608 HA ASP 608 14.272 5.993 -4.347 681 HB2 ASP 608 1HB ASP 608 14.886 4.534 -2.543 682 HB3 ASP 608 2HB ASP 608 13.494 3.496 -2.835 683 H GLU 609 H GLU 609 11.551 3.697 -4.104 684 HA GLU 609 HA GLU 609 11.652 2.669 -6.664 685 HB2 GLU 609 1HB GLU 609 9.377 3.116 -4.756 686 HB3 GLU 609 2HB GLU 609 9.085 2.438 -6.351 687 HG2 GLU 609 1HG GLU 609 10.892 1.287 -4.238 688 HG3 GLU 609 2HG GLU 609 9.295 0.690 -4.686 689 H ALA 610 H ALA 610 9.703 5.436 -5.548 690 HA ALA 610 HA ALA 610 8.521 6.153 -7.929 691 HB1 ALA 610 3HB ALA 610 9.261 8.552 -6.601 692 HB2 ALA 610 1HB ALA 610 7.698 7.735 -6.614 693 HB3 ALA 610 2HB ALA 610 8.892 7.335 -5.379 694 H VAL 611 H VAL 611 11.524 7.592 -6.636 695 HA VAL 611 HA VAL 611 12.232 9.132 -8.798 696 HB VAL 611 HB VAL 611 14.120 7.585 -7.015 697 HG11 VAL 611 1HG1 VAL 611 14.611 9.240 -9.284 698 HG12 VAL 611 2HG1 VAL 611 15.202 10.062 -7.839 699 HG13 VAL 611 3HG1 VAL 611 15.772 8.438 -8.227 700 HG21 VAL 611 3HG2 VAL 611 13.688 10.453 -6.558 701 HG22 VAL 611 1HG2 VAL 611 12.291 9.430 -6.222 702 HG23 VAL 611 2HG2 VAL 611 13.823 9.126 -5.404 703 H ALA 612 H ALA 612 12.868 5.689 -8.281 704 HA ALA 612 HA ALA 612 14.518 5.245 -10.497 705 HB1 ALA 612 3HB ALA 612 14.588 3.251 -9.532 706 HB2 ALA 612 1HB ALA 612 13.203 3.665 -8.522 707 HB3 ALA 612 2HB ALA 612 12.951 2.930 -10.106 708 H VAL 613 H VAL 613 10.991 5.134 -10.184 709 HA VAL 613 HA VAL 613 10.436 4.195 -12.779 710 HB VAL 613 HB VAL 613 8.741 5.912 -10.960 711 HG11 VAL 613 1HG1 VAL 613 8.349 5.165 -13.686 712 HG12 VAL 613 2HG1 VAL 613 7.159 4.332 -12.684 713 HG13 VAL 613 3HG1 VAL 613 7.286 6.091 -12.627 714 HG21 VAL 613 3HG2 VAL 613 9.300 3.019 -11.141 715 HG22 VAL 613 1HG2 VAL 613 8.831 4.003 -9.754 716 HG23 VAL 613 2HG2 VAL 613 7.611 3.471 -10.911 717 H LEU 614 H LEU 614 10.676 7.483 -11.470 718 HA LEU 614 HA LEU 614 9.891 8.919 -13.707 719 HB2 LEU 614 1HB LEU 614 12.107 9.728 -11.836 720 HB3 LEU 614 2HB LEU 614 11.062 10.786 -12.782 721 HG LEU 614 HG LEU 614 10.325 9.165 -10.352 722 HD11 LEU 614 1HD1 LEU 614 11.417 11.224 -9.808 723 HD12 LEU 614 2HD1 LEU 614 9.692 11.412 -9.494 724 HD13 LEU 614 3HD1 LEU 614 10.407 12.118 -10.944 725 HD21 LEU 614 3HD2 LEU 614 8.078 10.377 -10.724 726 HD22 LEU 614 1HD2 LEU 614 8.422 8.925 -11.664 727 HD23 LEU 614 2HD2 LEU 614 8.607 10.516 -12.401 728 H GLN 615 H GLN 615 13.109 7.690 -12.862 729 HA GLN 615 HA GLN 615 14.587 8.812 -14.914 730 HB2 GLN 615 1HB GLN 615 14.953 6.768 -12.970 731 HB3 GLN 615 2HB GLN 615 15.500 6.138 -14.518 732 HG2 GLN 615 1HG GLN 615 16.402 8.753 -13.336 733 HG3 GLN 615 2HG GLN 615 17.275 7.229 -13.178 734 HE21 GLN 615 2HE2 GLN 615 18.726 9.091 -14.227 735 HE22 GLN 615 1HE2 GLN 615 18.871 8.952 -15.943 736 H ALA 616 H ALA 616 12.425 6.057 -14.971 737 HA ALA 616 HA ALA 616 13.167 4.878 -17.378 738 HB1 ALA 616 3HB ALA 616 11.400 4.179 -15.593 739 HB2 ALA 616 1HB ALA 616 10.283 5.069 -16.628 740 HB3 ALA 616 2HB ALA 616 11.188 3.701 -17.278 741 H HIS 617 H HIS 617 11.523 7.860 -16.771 742 HA HIS 617 HA HIS 617 10.959 8.147 -19.649 743 HB2 HIS 617 1HB HIS 617 9.042 8.298 -17.936 744 HB3 HIS 617 2HB HIS 617 9.739 9.852 -17.488 745 HD1 HIS 617 HD1 HIS 617 9.407 8.524 -21.015 746 HD2 HIS 617 HD2 HIS 617 7.858 11.512 -18.580 747 HE1 HIS 617 HE1 HIS 617 8.007 9.965 -22.527 748 H GLN 618 H GLN 618 11.680 10.249 -16.854 749 HA GLN 618 HA GLN 618 13.755 11.561 -18.454 750 HB2 GLN 618 1HB GLN 618 11.362 12.853 -17.200 751 HB3 GLN 618 2HB GLN 618 12.870 13.751 -17.318 752 HG2 GLN 618 1HG GLN 618 11.352 12.534 -19.615 753 HG3 GLN 618 2HG GLN 618 11.393 14.243 -19.183 754 HE21 GLN 618 2HE2 GLN 618 12.201 12.884 -21.649 755 HE22 GLN 618 1HE2 GLN 618 13.854 13.315 -21.905 756 H ALA 619 H ALA 619 15.580 11.916 -17.353 757 HA ALA 619 HA ALA 619 15.964 10.903 -14.767 758 HB1 ALA 619 3HB ALA 619 17.640 12.783 -16.418 759 HB2 ALA 619 1HB ALA 619 18.164 12.093 -14.881 760 HB3 ALA 619 2HB ALA 619 17.822 11.037 -16.252 761 H LYS 620 H LYS 620 16.554 14.304 -15.618 762 HA LYS 620 HA LYS 620 15.150 15.093 -13.154 763 HB2 LYS 620 1HB LYS 620 17.689 15.123 -12.974 764 HB3 LYS 620 2HB LYS 620 17.664 16.432 -14.148 765 HG2 LYS 620 1HG LYS 620 15.934 17.443 -12.404 766 HG3 LYS 620 2HG LYS 620 16.853 16.415 -11.301 767 HD2 LYS 620 1HD LYS 620 18.114 18.404 -13.183 768 HD3 LYS 620 2HD LYS 620 17.700 18.767 -11.506 769 HE2 LYS 620 1HE LYS 620 19.377 16.377 -12.136 770 HE3 LYS 620 2HE LYS 620 20.112 17.979 -12.130 771 HZ1 LYS 620 3HZ LYS 620 20.395 17.178 -9.973 772 HZ2 LYS 620 1HZ LYS 620 18.830 16.542 -9.887 773 HZ3 LYS 620 2HZ LYS 620 19.066 18.216 -9.843 774 H GLU 621 H GLU 621 14.058 15.066 -15.763 775 HA GLU 621 HA GLU 621 13.816 17.955 -16.296 776 HB2 GLU 621 1HB GLU 621 14.877 16.488 -18.109 777 HB3 GLU 621 2HB GLU 621 13.274 15.800 -18.329 778 HG2 GLU 621 1HG GLU 621 12.399 17.765 -19.167 779 HG3 GLU 621 2HG GLU 621 13.659 18.758 -18.437 780 H ALA 622 H ALA 622 12.159 17.848 -14.588 781 HA ALA 622 HA ALA 622 9.822 16.332 -14.751 782 HB1 ALA 622 3HB ALA 622 8.847 18.383 -13.463 783 HB2 ALA 622 1HB ALA 622 10.084 17.373 -12.716 784 HB3 ALA 622 2HB ALA 622 10.527 18.919 -13.441 785 H ALA 623 H ALA 623 10.540 19.554 -16.059 786 HA ALA 623 HA ALA 623 8.043 20.198 -17.073 787 HB1 ALA 623 3HB ALA 623 10.382 20.929 -18.731 788 HB2 ALA 623 1HB ALA 623 9.070 21.931 -18.111 789 HB3 ALA 623 2HB ALA 623 10.396 21.457 -17.049 Start of MODEL 5 1 H1 ALA 64 1H ALA 64 1.513 -1.523 0.777 2 HA ALA 64 HA ALA 64 0.617 0.266 -1.306 3 HB1 ALA 64 3HB ALA 64 2.202 0.833 0.630 4 HB2 ALA 64 1HB ALA 64 3.445 0.038 -0.336 5 HB3 ALA 64 2HB ALA 64 2.600 1.449 -0.974 6 H PHE 65 H PHE 65 2.781 0.615 -2.905 7 HA PHE 65 HA PHE 65 2.489 -1.424 -4.816 8 HB2 PHE 65 1HB PHE 65 4.041 1.050 -4.545 9 HB3 PHE 65 2HB PHE 65 4.838 -0.179 -5.521 10 HD1 PHE 65 HD2 PHE 65 1.670 1.712 -5.157 11 HD2 PHE 65 HD1 PHE 65 4.199 -0.544 -7.733 12 HE1 PHE 65 HE2 PHE 65 0.263 2.332 -7.077 13 HE2 PHE 65 HE1 PHE 65 2.796 0.074 -9.657 14 HZ PHE 65 HZ PHE 65 0.824 1.513 -9.331 15 H SER 66 H SER 66 3.957 -2.991 -5.569 16 HA SER 66 HA SER 66 5.956 -3.824 -3.569 17 HB2 SER 66 1HB SER 66 4.512 -5.660 -5.487 18 HB3 SER 66 2HB SER 66 5.495 -6.113 -4.095 19 HG SER 66 HG SER 66 3.011 -4.738 -4.033 20 H ARG 67 H ARG 67 5.328 -3.069 -6.870 21 HA ARG 67 HA ARG 67 8.160 -3.520 -7.488 22 HB2 ARG 67 1HB ARG 67 6.106 -5.118 -8.496 23 HB3 ARG 67 2HB ARG 67 6.472 -3.996 -9.800 24 HG2 ARG 67 1HG ARG 67 7.990 -5.575 -10.323 25 HG3 ARG 67 2HG ARG 67 8.962 -4.708 -9.132 26 HD2 ARG 67 1HD ARG 67 8.454 -6.286 -7.438 27 HD3 ARG 67 2HD ARG 67 7.187 -7.027 -8.414 28 HE ARG 67 HE ARG 67 9.431 -7.374 -9.901 29 HH11 ARG 67 1HH1 ARG 67 8.568 -8.117 -6.611 30 HH12 ARG 67 2HH1 ARG 67 9.603 -9.504 -6.516 31 HH21 ARG 67 1HH2 ARG 67 10.796 -9.198 -9.788 32 HH22 ARG 67 2HH2 ARG 67 10.870 -10.118 -8.323 33 H GLN 68 H GLN 68 8.193 -2.665 -10.085 34 HA GLN 68 HA GLN 68 8.347 0.078 -9.893 35 HB2 GLN 68 1HB GLN 68 9.397 -1.191 -11.698 36 HB3 GLN 68 2HB GLN 68 7.817 -1.573 -12.370 37 HG2 GLN 68 1HG GLN 68 7.453 0.876 -12.693 38 HG3 GLN 68 2HG GLN 68 9.131 1.126 -12.214 39 HE21 GLN 68 2HE2 GLN 68 10.583 1.150 -13.771 40 HE22 GLN 68 1HE2 GLN 68 10.381 0.502 -15.360 41 H LEU 69 H LEU 69 7.028 1.799 -10.388 42 HA LEU 69 HA LEU 69 4.173 1.154 -10.715 43 HB2 LEU 69 1HB LEU 69 3.775 3.380 -9.650 44 HB3 LEU 69 2HB LEU 69 4.502 2.165 -8.601 45 HG LEU 69 HG LEU 69 6.739 3.307 -9.210 46 HD11 LEU 69 1HD1 LEU 69 6.074 4.713 -10.994 47 HD12 LEU 69 2HD1 LEU 69 6.406 5.768 -9.621 48 HD13 LEU 69 3HD1 LEU 69 4.740 5.389 -10.059 49 HD21 LEU 69 3HD2 LEU 69 5.932 5.264 -7.539 50 HD22 LEU 69 1HD2 LEU 69 6.308 3.620 -7.020 51 HD23 LEU 69 2HD2 LEU 69 4.633 4.093 -7.305 52 H ASN 70 H ASN 70 3.068 3.444 -11.448 53 HA ASN 70 HA ASN 70 4.353 4.038 -14.024 54 HB2 ASN 70 1HB ASN 70 1.988 4.895 -14.590 55 HB3 ASN 70 2HB ASN 70 2.224 3.154 -14.466 56 HD21 ASN 70 2HD2 ASN 70 0.698 5.935 -13.143 57 HD22 ASN 70 1HD2 ASN 70 -0.258 5.116 -11.959 58 H VAL 71 H VAL 71 5.015 6.043 -14.496 59 HA VAL 71 HA VAL 71 4.885 8.072 -12.450 60 HB VAL 71 HB VAL 71 6.926 7.656 -13.848 61 HG11 VAL 71 1HG1 VAL 71 6.077 9.345 -16.042 62 HG12 VAL 71 2HG1 VAL 71 6.901 7.784 -16.072 63 HG13 VAL 71 3HG1 VAL 71 5.141 7.852 -15.962 64 HG21 VAL 71 3HG2 VAL 71 6.101 9.911 -12.683 65 HG22 VAL 71 1HG2 VAL 71 7.624 9.798 -13.567 66 HG23 VAL 71 2HG2 VAL 71 6.199 10.484 -14.348 67 H ASN 72 H ASN 72 2.818 7.139 -14.853 68 HA ASN 72 HA ASN 72 2.002 9.647 -15.913 69 HB2 ASN 72 1HB ASN 72 0.924 6.867 -15.925 70 HB3 ASN 72 2HB ASN 72 -0.181 8.178 -16.328 71 HD21 ASN 72 2HD2 ASN 72 3.246 7.572 -17.020 72 HD22 ASN 72 1HD2 ASN 72 3.103 7.736 -18.734 73 H ALA 73 H ALA 73 1.302 7.927 -12.997 74 HA ALA 73 HA ALA 73 -1.176 8.894 -12.264 75 HB1 ALA 73 3HB ALA 73 0.685 7.367 -11.048 76 HB2 ALA 73 1HB ALA 73 0.824 8.851 -10.104 77 HB3 ALA 73 2HB ALA 73 -0.732 8.029 -10.232 78 H LYS 74 H LYS 74 -1.961 10.864 -11.963 79 HA LYS 74 HA LYS 74 -0.570 13.223 -12.291 80 HB2 LYS 74 1HB LYS 74 -3.193 12.504 -11.083 81 HB3 LYS 74 2HB LYS 74 -2.576 14.122 -10.773 82 HG2 LYS 74 1HG LYS 74 -4.020 14.197 -12.678 83 HG3 LYS 74 2HG LYS 74 -2.360 14.458 -13.218 84 HD2 LYS 74 1HD LYS 74 -2.199 12.207 -14.021 85 HD3 LYS 74 2HD LYS 74 -3.752 11.784 -13.297 86 HE2 LYS 74 1HE LYS 74 -3.316 13.764 -15.531 87 HE3 LYS 74 2HE LYS 74 -3.956 12.131 -15.708 88 HZ1 LYS 74 3HZ LYS 74 -5.344 14.490 -15.089 89 HZ2 LYS 74 1HZ LYS 74 -5.478 13.438 -13.770 90 HZ3 LYS 74 2HZ LYS 74 -5.965 12.932 -15.308 91 HA PRO 75 HA PRO 75 1.570 14.142 -8.573 92 HB2 PRO 75 1HB PRO 75 1.156 16.812 -8.301 93 HB3 PRO 75 2HB PRO 75 2.211 16.125 -9.542 94 HG2 PRO 75 1HG PRO 75 -0.617 17.077 -9.777 95 HG3 PRO 75 2HG PRO 75 0.746 17.335 -10.881 96 HD2 PRO 75 1HD PRO 75 -1.160 15.464 -11.330 97 HD3 PRO 75 2HD PRO 75 0.528 15.249 -11.838 98 H PHE 76 H PHE 76 -0.712 16.708 -8.024 99 HA PHE 76 HA PHE 76 -2.480 15.341 -6.295 100 HB2 PHE 76 1HB PHE 76 -1.705 16.113 -4.135 101 HB3 PHE 76 2HB PHE 76 -0.417 15.199 -4.913 102 HD1 PHE 76 HD1 PHE 76 1.264 16.664 -6.322 103 HD2 PHE 76 HD2 PHE 76 -1.186 18.125 -3.163 104 HE1 PHE 76 HE1 PHE 76 2.798 18.562 -6.015 105 HE2 PHE 76 HE2 PHE 76 0.344 20.027 -2.852 106 HZ PHE 76 HZ PHE 76 2.339 20.248 -4.279 107 H VAL 77 H VAL 77 -3.199 17.290 -4.525 108 HA VAL 77 HA VAL 77 -3.993 19.488 -6.317 109 HB VAL 77 HB VAL 77 -5.397 18.545 -3.814 110 HG11 VAL 77 1HG1 VAL 77 -6.099 20.712 -4.014 111 HG12 VAL 77 2HG1 VAL 77 -5.870 20.742 -5.764 112 HG13 VAL 77 3HG1 VAL 77 -7.266 19.916 -5.070 113 HG21 VAL 77 3HG2 VAL 77 -6.103 18.065 -6.708 114 HG22 VAL 77 1HG2 VAL 77 -5.492 16.856 -5.579 115 HG23 VAL 77 2HG2 VAL 77 -7.073 17.591 -5.313 116 HA PRO 78 HA PRO 78 -1.202 21.490 -3.249 117 HB2 PRO 78 1HB PRO 78 -0.197 23.284 -5.021 118 HB3 PRO 78 2HB PRO 78 0.448 21.648 -4.840 119 HG2 PRO 78 1HG PRO 78 -1.450 22.719 -6.892 120 HG3 PRO 78 2HG PRO 78 -0.065 21.632 -7.107 121 HD2 PRO 78 1HD PRO 78 -2.620 20.738 -7.021 122 HD3 PRO 78 2HD PRO 78 -1.251 19.780 -6.419 123 H ASN 79 H ASN 79 -0.851 24.104 -3.230 124 HA ASN 79 HA ASN 79 -3.548 25.278 -3.405 125 HB2 ASN 79 1HB ASN 79 -2.732 24.767 -1.060 126 HB3 ASN 79 2HB ASN 79 -1.485 25.984 -1.315 127 HD21 ASN 79 2HD2 ASN 79 -4.968 25.733 -1.963 128 HD22 ASN 79 1HD2 ASN 79 -5.383 27.243 -1.234 129 H VAL 80 H VAL 80 -1.347 25.359 -5.341 130 HA VAL 80 HA VAL 80 -0.894 28.273 -5.368 131 HB VAL 80 HB VAL 80 0.946 26.208 -6.578 132 HG11 VAL 80 1HG1 VAL 80 1.302 29.169 -6.125 133 HG12 VAL 80 2HG1 VAL 80 2.486 28.074 -6.842 134 HG13 VAL 80 3HG1 VAL 80 0.966 28.400 -7.675 135 HG21 VAL 80 3HG2 VAL 80 1.163 25.904 -4.254 136 HG22 VAL 80 1HG2 VAL 80 2.491 26.974 -4.706 137 HG23 VAL 80 2HG2 VAL 80 1.049 27.634 -3.934 138 H HIS 81 H HIS 81 -1.843 29.283 -7.002 139 HA HIS 81 HA HIS 81 -3.281 27.943 -9.019 140 HB2 HIS 81 1HB HIS 81 -3.785 30.240 -8.181 141 HB3 HIS 81 2HB HIS 81 -2.359 30.824 -9.034 142 HD1 HIS 81 HD1 HIS 81 -5.742 29.284 -9.724 143 HD2 HIS 81 HD2 HIS 81 -2.744 31.386 -11.688 144 HE1 HIS 81 HE1 HIS 81 -6.690 29.857 -11.982 145 H ALA 82 H ALA 82 -0.271 29.843 -9.218 146 HA ALA 82 HA ALA 82 0.260 28.604 -11.830 147 HB1 ALA 82 3HB ALA 82 0.735 30.689 -12.436 148 HB2 ALA 82 1HB ALA 82 0.666 31.256 -10.767 149 HB3 ALA 82 2HB ALA 82 2.166 30.588 -11.411 150 H1 GLY 541 1H GLY 541 7.679 26.343 17.347 151 HA2 GLY 541 1HA GLY 541 9.733 24.767 18.152 152 HA3 GLY 541 2HA GLY 541 8.120 24.633 18.836 153 H GLN 542 H GLN 542 6.686 23.550 16.778 154 HA GLN 542 HA GLN 542 7.870 21.412 15.420 155 HB2 GLN 542 1HB GLN 542 7.646 20.927 18.187 156 HB3 GLN 542 2HB GLN 542 6.373 19.985 17.422 157 HG2 GLN 542 1HG GLN 542 8.332 19.295 15.801 158 HG3 GLN 542 2HG GLN 542 9.322 19.738 17.191 159 HE21 GLN 542 2HE2 GLN 542 9.286 17.170 16.231 160 HE22 GLN 542 1HE2 GLN 542 8.511 16.135 17.377 161 H GLU 543 H GLU 543 6.293 19.971 14.434 162 HA GLU 543 HA GLU 543 3.508 20.292 14.812 163 HB2 GLU 543 1HB GLU 543 3.041 21.391 12.594 164 HB3 GLU 543 2HB GLU 543 3.726 22.446 13.822 165 HG2 GLU 543 1HG GLU 543 5.582 21.102 11.935 166 HG3 GLU 543 2HG GLU 543 4.607 22.445 11.341 167 HA PRO 544 HA PRO 544 5.058 16.599 12.417 168 HB2 PRO 544 1HB PRO 544 4.039 14.749 14.123 169 HB3 PRO 544 2HB PRO 544 5.642 15.464 14.328 170 HG2 PRO 544 1HG PRO 544 3.068 16.163 15.687 171 HG3 PRO 544 2HG PRO 544 4.692 16.004 16.381 172 HD2 PRO 544 1HD PRO 544 3.590 18.405 15.791 173 HD3 PRO 544 2HD PRO 544 5.336 18.102 15.678 174 H LEU 545 H LEU 545 3.796 15.062 11.262 175 HA LEU 545 HA LEU 545 0.998 15.867 10.983 176 HB2 LEU 545 1HB LEU 545 2.355 15.858 8.968 177 HB3 LEU 545 2HB LEU 545 2.761 14.163 9.228 178 HG LEU 545 HG LEU 545 0.350 13.609 8.912 179 HD11 LEU 545 1HD1 LEU 545 -0.098 16.256 9.311 180 HD12 LEU 545 2HD1 LEU 545 -1.240 15.147 8.553 181 HD13 LEU 545 3HD1 LEU 545 -0.189 16.150 7.553 182 HD21 LEU 545 3HD2 LEU 545 1.244 13.099 6.932 183 HD22 LEU 545 1HD2 LEU 545 2.239 14.555 6.909 184 HD23 LEU 545 2HD2 LEU 545 0.563 14.624 6.364 185 H THR 546 H THR 546 -0.710 14.425 11.101 186 HA THR 546 HA THR 546 -0.218 11.638 11.728 187 HB THR 546 HB THR 546 -0.030 12.712 13.937 188 HG1 THR 546 HG1 THR 546 -0.931 10.639 13.885 189 HG21 THR 546 3HG2 THR 546 -1.422 14.665 13.578 190 HG22 THR 546 1HG2 THR 546 -2.039 13.742 14.948 191 HG23 THR 546 2HG2 THR 546 -2.849 13.647 13.384 192 H ALA 547 H ALA 547 -2.338 10.459 12.070 193 HA ALA 547 HA ALA 547 -4.035 10.893 9.894 194 HB1 ALA 547 3HB ALA 547 -4.286 9.224 12.371 195 HB2 ALA 547 1HB ALA 547 -5.580 9.293 11.175 196 HB3 ALA 547 2HB ALA 547 -3.981 8.710 10.712 197 H SER 548 H SER 548 -4.100 12.171 13.119 198 HA SER 548 HA SER 548 -6.753 12.850 13.456 199 HB2 SER 548 1HB SER 548 -4.509 14.718 14.212 200 HB3 SER 548 2HB SER 548 -6.037 14.447 15.051 201 HG SER 548 HG SER 548 -5.053 12.961 16.141 202 H MET 549 H MET 549 -4.218 14.784 11.869 203 HA MET 549 HA MET 549 -5.733 16.988 11.168 204 HB2 MET 549 1HB MET 549 -3.521 15.717 9.545 205 HB3 MET 549 2HB MET 549 -4.095 17.372 9.385 206 HG2 MET 549 1HG MET 549 -3.102 16.429 12.028 207 HG3 MET 549 2HG MET 549 -1.945 16.823 10.759 208 HE1 MET 549 3HE MET 549 -1.940 20.283 10.124 209 HE2 MET 549 1HE MET 549 -0.925 19.720 11.452 210 HE3 MET 549 2HE MET 549 -1.227 18.670 10.067 211 H LEU 550 H LEU 550 -5.392 13.896 9.489 212 HA LEU 550 HA LEU 550 -7.301 14.763 7.451 213 HB2 LEU 550 1HB LEU 550 -5.411 12.459 7.707 214 HB3 LEU 550 2HB LEU 550 -6.755 12.382 6.569 215 HG LEU 550 HG LEU 550 -5.834 14.540 5.579 216 HD11 LEU 550 1HD1 LEU 550 -4.375 15.300 7.273 217 HD12 LEU 550 2HD1 LEU 550 -3.346 14.773 5.941 218 HD13 LEU 550 3HD1 LEU 550 -3.545 13.746 7.361 219 HD21 LEU 550 3HD2 LEU 550 -3.832 12.364 5.252 220 HD22 LEU 550 1HD2 LEU 550 -4.651 13.342 4.034 221 HD23 LEU 550 2HD2 LEU 550 -5.514 12.030 4.838 222 H ALA 551 H ALA 551 -8.058 14.227 10.257 223 HA ALA 551 HA ALA 551 -9.842 11.917 9.880 224 HB1 ALA 551 3HB ALA 551 -8.160 12.235 11.901 225 HB2 ALA 551 1HB ALA 551 -9.509 13.167 12.552 226 HB3 ALA 551 2HB ALA 551 -9.736 11.474 12.112 227 H SER 552 H SER 552 -9.719 15.339 10.537 228 HA SER 552 HA SER 552 -12.664 15.404 10.627 229 HB2 SER 552 1HB SER 552 -10.972 17.689 11.581 230 HB3 SER 552 2HB SER 552 -12.601 17.228 12.072 231 HG SER 552 HG SER 552 -11.504 16.441 13.714 232 H ALA 553 H ALA 553 -10.803 15.394 8.287 233 HA ALA 553 HA ALA 553 -11.723 17.915 7.068 234 HB1 ALA 553 3HB ALA 553 -9.399 16.799 5.755 235 HB2 ALA 553 1HB ALA 553 -9.672 18.428 6.375 236 HB3 ALA 553 2HB ALA 553 -9.082 17.161 7.451 237 HA PRO 554 HA PRO 554 -13.631 15.581 3.880 238 HB2 PRO 554 1HB PRO 554 -13.156 17.104 1.683 239 HB3 PRO 554 2HB PRO 554 -14.294 17.575 2.950 240 HG2 PRO 554 1HG PRO 554 -11.468 18.463 2.516 241 HG3 PRO 554 2HG PRO 554 -12.889 19.428 2.957 242 HD2 PRO 554 1HD PRO 554 -11.045 18.633 4.774 243 HD3 PRO 554 2HD PRO 554 -12.763 18.827 5.179 244 HA PRO 555 HA PRO 555 -10.824 12.994 1.698 245 HB2 PRO 555 1HB PRO 555 -12.169 12.459 -0.600 246 HB3 PRO 555 2HB PRO 555 -12.640 11.789 0.967 247 HG2 PRO 555 1HG PRO 555 -13.769 14.137 -0.507 248 HG3 PRO 555 2HG PRO 555 -14.620 12.850 0.367 249 HD2 PRO 555 1HD PRO 555 -14.200 15.304 1.434 250 HD3 PRO 555 2HD PRO 555 -14.252 13.829 2.421 251 H GLN 556 H GLN 556 -11.641 16.050 0.477 252 HA GLN 556 HA GLN 556 -9.809 15.850 -1.793 253 HB2 GLN 556 1HB GLN 556 -11.779 17.956 -0.920 254 HB3 GLN 556 2HB GLN 556 -10.608 18.241 -2.200 255 HG2 GLN 556 1HG GLN 556 -11.542 16.303 -3.424 256 HG3 GLN 556 2HG GLN 556 -12.776 16.155 -2.173 257 HE21 GLN 556 2HE2 GLN 556 -14.598 17.241 -2.439 258 HE22 GLN 556 1HE2 GLN 556 -14.853 18.525 -3.566 259 H GLU 557 H GLU 557 -10.240 17.608 1.243 260 HA GLU 557 HA GLU 557 -7.941 19.245 0.966 261 HB2 GLU 557 1HB GLU 557 -9.805 19.772 2.497 262 HB3 GLU 557 2HB GLU 557 -9.374 18.384 3.485 263 HG2 GLU 557 1HG GLU 557 -7.946 19.619 4.627 264 HG3 GLU 557 2HG GLU 557 -7.054 19.982 3.151 265 H GLN 558 H GLN 558 -8.368 15.954 1.774 266 HA GLN 558 HA GLN 558 -6.218 15.480 3.488 267 HB2 GLN 558 1HB GLN 558 -7.394 13.687 1.357 268 HB3 GLN 558 2HB GLN 558 -6.292 13.153 2.619 269 HG2 GLN 558 1HG GLN 558 -8.283 14.432 4.022 270 HG3 GLN 558 2HG GLN 558 -9.153 13.626 2.718 271 HE21 GLN 558 2HE2 GLN 558 -9.304 13.022 5.500 272 HE22 GLN 558 1HE2 GLN 558 -8.752 11.398 5.706 273 H LYS 559 H LYS 559 -6.255 14.775 -0.009 274 HA LYS 559 HA LYS 559 -3.550 14.350 -0.335 275 HB2 LYS 559 1HB LYS 559 -3.927 15.041 -2.727 276 HB3 LYS 559 2HB LYS 559 -5.030 13.812 -2.123 277 HG2 LYS 559 1HG LYS 559 -6.680 15.656 -1.685 278 HG3 LYS 559 2HG LYS 559 -5.592 16.731 -2.567 279 HD2 LYS 559 1HD LYS 559 -7.233 15.973 -4.114 280 HD3 LYS 559 2HD LYS 559 -5.734 15.123 -4.495 281 HE2 LYS 559 1HE LYS 559 -7.560 13.804 -2.578 282 HE3 LYS 559 2HE LYS 559 -8.107 13.896 -4.252 283 HZ1 LYS 559 3HZ LYS 559 -6.660 12.341 -4.861 284 HZ2 LYS 559 1HZ LYS 559 -6.420 12.024 -3.216 285 HZ3 LYS 559 2HZ LYS 559 -5.376 13.072 -4.037 286 H GLN 560 H GLN 560 -5.300 17.378 -0.153 287 HA GLN 560 HA GLN 560 -3.285 19.084 -1.121 288 HB2 GLN 560 1HB GLN 560 -5.497 19.612 0.869 289 HB3 GLN 560 2HB GLN 560 -4.497 20.862 0.142 290 HG2 GLN 560 1HG GLN 560 -5.438 19.439 -2.026 291 HG3 GLN 560 2HG GLN 560 -6.809 19.477 -0.919 292 HE21 GLN 560 2HE2 GLN 560 -4.234 21.787 -1.709 293 HE22 GLN 560 1HE2 GLN 560 -5.292 23.095 -2.101 294 H MET 561 H MET 561 -4.276 18.767 2.291 295 HA MET 561 HA MET 561 -1.986 19.952 3.357 296 HB2 MET 561 1HB MET 561 -3.722 17.861 4.680 297 HB3 MET 561 2HB MET 561 -2.679 19.021 5.492 298 HG2 MET 561 1HG MET 561 -4.057 20.847 4.784 299 HG3 MET 561 2HG MET 561 -5.033 19.776 3.782 300 HE1 MET 561 3HE MET 561 -5.915 17.211 6.367 301 HE2 MET 561 1HE MET 561 -7.320 18.004 5.653 302 HE3 MET 561 2HE MET 561 -5.897 17.674 4.665 303 H LEU 562 H LEU 562 -2.776 16.482 3.123 304 HA LEU 562 HA LEU 562 -0.459 15.425 4.163 305 HB2 LEU 562 1HB LEU 562 -2.454 14.130 3.510 306 HB3 LEU 562 2HB LEU 562 -2.016 14.347 1.817 307 HG LEU 562 HG LEU 562 -0.002 13.075 3.584 308 HD11 LEU 562 1HD1 LEU 562 -2.625 12.152 3.662 309 HD12 LEU 562 2HD1 LEU 562 -1.174 11.276 4.147 310 HD13 LEU 562 3HD1 LEU 562 -1.806 11.096 2.510 311 HD21 LEU 562 3HD2 LEU 562 0.867 12.474 1.627 312 HD22 LEU 562 1HD2 LEU 562 -0.337 13.509 0.860 313 HD23 LEU 562 2HD2 LEU 562 -0.664 11.790 1.080 314 H GLY 563 H GLY 563 -1.086 15.899 0.676 315 HA2 GLY 563 1HA GLY 563 1.514 15.333 -0.185 316 HA3 GLY 563 2HA GLY 563 0.344 16.298 -1.073 317 H GLU 564 H GLU 564 0.110 18.325 1.002 318 HA GLU 564 HA GLU 564 2.201 20.036 0.153 319 HB2 GLU 564 1HB GLU 564 -0.030 20.237 2.131 320 HB3 GLU 564 2HB GLU 564 1.249 21.442 2.170 321 HG2 GLU 564 1HG GLU 564 0.719 22.262 0.068 322 HG3 GLU 564 2HG GLU 564 -0.156 20.801 -0.388 323 H ARG 565 H ARG 565 1.592 18.280 3.164 324 HA ARG 565 HA ARG 565 3.933 19.313 4.464 325 HB2 ARG 565 1HB ARG 565 1.766 17.405 5.129 326 HB3 ARG 565 2HB ARG 565 3.300 17.156 5.952 327 HG2 ARG 565 1HG ARG 565 3.037 19.784 6.343 328 HG3 ARG 565 2HG ARG 565 1.333 19.342 6.219 329 HD2 ARG 565 1HD ARG 565 2.008 19.246 8.528 330 HD3 ARG 565 2HD ARG 565 1.699 17.610 7.947 331 HE ARG 565 HE ARG 565 3.914 17.109 8.268 332 HH11 ARG 565 1HH1 ARG 565 3.474 20.559 8.421 333 HH12 ARG 565 2HH1 ARG 565 5.084 20.871 8.979 334 HH21 ARG 565 1HH2 ARG 565 6.037 17.507 9.002 335 HH22 ARG 565 2HH2 ARG 565 6.542 19.134 9.309 336 H LEU 566 H LEU 566 3.108 16.439 2.632 337 HA LEU 566 HA LEU 566 5.521 15.030 3.262 338 HB2 LEU 566 1HB LEU 566 3.120 14.583 1.671 339 HB3 LEU 566 2HB LEU 566 4.577 13.940 0.916 340 HG LEU 566 HG LEU 566 4.822 12.994 3.459 341 HD11 LEU 566 1HD1 LEU 566 1.966 13.524 2.932 342 HD12 LEU 566 2HD1 LEU 566 2.837 13.394 4.460 343 HD13 LEU 566 3HD1 LEU 566 2.365 11.936 3.588 344 HD21 LEU 566 3HD2 LEU 566 4.162 10.853 2.527 345 HD22 LEU 566 1HD2 LEU 566 5.120 11.759 1.356 346 HD23 LEU 566 2HD2 LEU 566 3.368 11.662 1.175 347 H PHE 567 H PHE 567 4.547 17.355 0.881 348 HA PHE 567 HA PHE 567 6.280 16.937 -1.201 349 HB2 PHE 567 1HB PHE 567 4.869 18.718 -1.586 350 HB3 PHE 567 2HB PHE 567 5.101 19.388 0.026 351 HD1 PHE 567 HD1 PHE 567 7.370 18.570 -2.825 352 HD2 PHE 567 HD2 PHE 567 6.009 21.486 -0.039 353 HE1 PHE 567 HE1 PHE 567 8.984 20.189 -3.736 354 HE2 PHE 567 HE2 PHE 567 7.620 23.109 -0.946 355 HZ PHE 567 HZ PHE 567 9.109 22.462 -2.797 356 HA PRO 568 HA PRO 568 9.744 19.420 1.079 357 HB2 PRO 568 1HB PRO 568 9.365 19.947 3.715 358 HB3 PRO 568 2HB PRO 568 8.831 21.038 2.430 359 HG2 PRO 568 1HG PRO 568 7.250 19.029 3.988 360 HG3 PRO 568 2HG PRO 568 6.811 20.685 3.527 361 HD2 PRO 568 1HD PRO 568 5.905 18.511 2.190 362 HD3 PRO 568 2HD PRO 568 6.215 20.065 1.389 363 H LEU 569 H LEU 569 8.002 17.230 3.279 364 HA LEU 569 HA LEU 569 10.128 16.167 4.673 365 HB2 LEU 569 1HB LEU 569 7.536 15.727 4.760 366 HB3 LEU 569 2HB LEU 569 7.957 14.343 3.754 367 HG LEU 569 HG LEU 569 7.766 13.737 6.117 368 HD11 LEU 569 1HD1 LEU 569 9.580 12.846 4.407 369 HD12 LEU 569 2HD1 LEU 569 9.529 12.299 6.082 370 HD13 LEU 569 3HD1 LEU 569 10.681 13.542 5.596 371 HD21 LEU 569 3HD2 LEU 569 8.958 16.169 6.601 372 HD22 LEU 569 1HD2 LEU 569 10.240 15.015 6.966 373 HD23 LEU 569 2HD2 LEU 569 8.684 14.894 7.789 374 H ILE 570 H ILE 570 9.009 15.394 1.434 375 HA ILE 570 HA ILE 570 10.732 13.128 1.110 376 HB ILE 570 HB ILE 570 9.182 14.766 -0.893 377 HG12 ILE 570 1HG1 ILE 570 8.744 11.952 0.127 378 HG13 ILE 570 2HG1 ILE 570 7.894 13.370 0.731 379 HG21 ILE 570 1HG2 ILE 570 10.909 13.926 -2.197 380 HG22 ILE 570 2HG2 ILE 570 11.014 12.430 -1.270 381 HG23 ILE 570 3HG2 ILE 570 9.656 12.696 -2.362 382 HD11 ILE 570 3HD1 ILE 570 6.445 13.316 -0.944 383 HD12 ILE 570 1HD1 ILE 570 7.724 13.157 -2.147 384 HD13 ILE 570 2HD1 ILE 570 7.097 11.724 -1.331 385 H GLN 571 H GLN 571 10.917 16.557 0.387 386 HA GLN 571 HA GLN 571 13.093 16.573 -1.347 387 HB2 GLN 571 1HB GLN 571 12.241 18.591 0.731 388 HB3 GLN 571 2HB GLN 571 13.502 18.891 -0.458 389 HG2 GLN 571 1HG GLN 571 11.849 18.496 -2.252 390 HG3 GLN 571 2HG GLN 571 10.601 18.325 -1.019 391 HE21 GLN 571 2HE2 GLN 571 12.849 20.532 -2.532 392 HE22 GLN 571 1HE2 GLN 571 12.059 21.985 -2.034 393 H ALA 572 H ALA 572 12.951 15.886 2.018 394 HA ALA 572 HA ALA 572 15.448 16.587 2.950 395 HB1 ALA 572 3HB ALA 572 15.133 15.055 4.681 396 HB2 ALA 572 1HB ALA 572 13.493 15.473 4.182 397 HB3 ALA 572 2HB ALA 572 14.212 13.949 3.661 398 H MET 573 H MET 573 14.552 13.934 0.843 399 HA MET 573 HA MET 573 17.393 13.166 0.680 400 HB2 MET 573 1HB MET 573 16.385 10.968 -0.250 401 HB3 MET 573 2HB MET 573 16.340 11.252 1.485 402 HG2 MET 573 1HG MET 573 14.004 12.169 -0.072 403 HG3 MET 573 2HG MET 573 14.231 10.428 0.079 404 HE1 MET 573 3HE MET 573 11.396 11.402 2.597 405 HE2 MET 573 1HE MET 573 11.751 11.410 0.869 406 HE3 MET 573 2HE MET 573 11.942 9.925 1.802 407 H HIS 574 H HIS 574 14.423 13.757 -1.121 408 HA HIS 574 HA HIS 574 16.054 14.095 -3.549 409 HB2 HIS 574 1HB HIS 574 13.535 12.546 -3.159 410 HB3 HIS 574 2HB HIS 574 13.756 13.396 -4.685 411 HD1 HIS 574 HD1 HIS 574 14.738 10.364 -2.874 412 HD2 HIS 574 HD2 HIS 574 16.072 12.507 -6.175 413 HE1 HIS 574 HE1 HIS 574 16.274 8.805 -4.112 414 HA PRO 575 HA PRO 575 13.729 17.987 -2.597 415 HB2 PRO 575 1HB PRO 575 15.817 19.634 -3.142 416 HB3 PRO 575 2HB PRO 575 15.566 18.895 -1.557 417 HG2 PRO 575 1HG PRO 575 17.398 18.054 -3.770 418 HG3 PRO 575 2HG PRO 575 17.711 18.129 -2.026 419 HD2 PRO 575 1HD PRO 575 17.131 15.813 -3.305 420 HD3 PRO 575 2HD PRO 575 16.652 16.121 -1.623 421 H THR 576 H THR 576 15.208 16.542 -5.273 422 HA THR 576 HA THR 576 14.384 18.678 -7.106 423 HB THR 576 HB THR 576 15.503 16.999 -8.803 424 HG1 THR 576 HG1 THR 576 17.358 16.049 -7.508 425 HG21 THR 576 3HG2 THR 576 16.388 19.188 -8.457 426 HG22 THR 576 1HG2 THR 576 17.727 18.055 -8.283 427 HG23 THR 576 2HG2 THR 576 16.978 18.762 -6.851 428 H LEU 577 H LEU 577 14.004 15.176 -6.618 429 HA LEU 577 HA LEU 577 11.801 15.133 -8.531 430 HB2 LEU 577 1HB LEU 577 13.193 12.931 -7.016 431 HB3 LEU 577 2HB LEU 577 11.852 12.677 -8.132 432 HG LEU 577 HG LEU 577 13.785 12.120 -9.340 433 HD11 LEU 577 1HD1 LEU 577 13.491 13.400 -11.181 434 HD12 LEU 577 2HD1 LEU 577 13.642 14.915 -10.291 435 HD13 LEU 577 3HD1 LEU 577 12.128 14.011 -10.243 436 HD21 LEU 577 3HD2 LEU 577 15.221 14.666 -9.002 437 HD22 LEU 577 1HD2 LEU 577 15.833 13.013 -9.076 438 HD23 LEU 577 2HD2 LEU 577 15.156 13.636 -7.571 439 H ALA 578 H ALA 578 11.917 16.188 -5.584 440 HA ALA 578 HA ALA 578 10.253 14.712 -3.946 441 HB1 ALA 578 3HB ALA 578 10.151 16.551 -2.611 442 HB2 ALA 578 1HB ALA 578 11.497 17.037 -3.643 443 HB3 ALA 578 2HB ALA 578 9.875 17.654 -3.959 444 H GLY 579 H GLY 579 9.284 17.275 -6.236 445 HA2 GLY 579 1HA GLY 579 6.555 17.212 -5.862 446 HA3 GLY 579 2HA GLY 579 7.324 17.575 -7.400 447 H LYS 580 H LYS 580 8.391 15.259 -8.211 448 HA LYS 580 HA LYS 580 6.176 13.819 -9.174 449 HB2 LYS 580 1HB LYS 580 9.109 13.097 -9.107 450 HB3 LYS 580 2HB LYS 580 7.891 12.186 -9.989 451 HG2 LYS 580 1HG LYS 580 8.106 15.099 -10.520 452 HG3 LYS 580 2HG LYS 580 9.367 14.038 -11.152 453 HD2 LYS 580 1HD LYS 580 7.195 12.640 -11.885 454 HD3 LYS 580 2HD LYS 580 6.517 14.270 -11.909 455 HE2 LYS 580 1HE LYS 580 9.152 13.793 -13.214 456 HE3 LYS 580 2HE LYS 580 7.691 13.240 -14.032 457 HZ1 LYS 580 3HZ LYS 580 8.486 15.994 -13.338 458 HZ2 LYS 580 1HZ LYS 580 6.859 15.609 -13.596 459 HZ3 LYS 580 2HZ LYS 580 7.989 15.376 -14.832 460 H ILE 581 H ILE 581 8.586 12.991 -6.696 461 HA ILE 581 HA ILE 581 7.685 10.447 -6.055 462 HB ILE 581 HB ILE 581 8.873 12.512 -4.197 463 HG12 ILE 581 1HG1 ILE 581 10.394 10.197 -5.306 464 HG13 ILE 581 2HG1 ILE 581 10.079 11.563 -6.370 465 HG21 ILE 581 1HG2 ILE 581 8.608 9.526 -3.868 466 HG22 ILE 581 2HG2 ILE 581 9.504 10.598 -2.794 467 HG23 ILE 581 3HG2 ILE 581 7.754 10.760 -2.942 468 HD11 ILE 581 3HD1 ILE 581 11.102 13.036 -4.627 469 HD12 ILE 581 1HD1 ILE 581 11.585 11.571 -3.772 470 HD13 ILE 581 2HD1 ILE 581 12.208 11.893 -5.390 471 H THR 582 H THR 582 6.901 13.447 -4.283 472 HA THR 582 HA THR 582 4.942 12.352 -2.632 473 HB THR 582 HB THR 582 5.996 14.625 -2.377 474 HG1 THR 582 HG1 THR 582 4.293 15.241 -1.196 475 HG21 THR 582 3HG2 THR 582 4.904 16.511 -3.508 476 HG22 THR 582 1HG2 THR 582 3.928 15.381 -4.446 477 HG23 THR 582 2HG2 THR 582 5.678 15.427 -4.663 478 H GLY 583 H GLY 583 4.749 13.532 -5.928 479 HA2 GLY 583 1HA GLY 583 1.967 13.787 -6.160 480 HA3 GLY 583 2HA GLY 583 3.067 13.444 -7.486 481 H MET 584 H MET 584 3.961 11.040 -7.267 482 HA MET 584 HA MET 584 1.750 9.363 -7.775 483 HB2 MET 584 1HB MET 584 4.607 8.561 -7.198 484 HB3 MET 584 2HB MET 584 3.389 7.568 -7.986 485 HG2 MET 584 1HG MET 584 3.404 8.883 -9.922 486 HG3 MET 584 2HG MET 584 4.238 10.209 -9.115 487 HE1 MET 584 3HE MET 584 6.471 9.146 -7.588 488 HE2 MET 584 1HE MET 584 7.830 8.779 -8.650 489 HE3 MET 584 2HE MET 584 6.959 10.302 -8.828 490 H LEU 585 H LEU 585 3.966 9.591 -5.013 491 HA LEU 585 HA LEU 585 2.980 7.446 -3.529 492 HB2 LEU 585 1HB LEU 585 4.471 9.934 -2.915 493 HB3 LEU 585 2HB LEU 585 3.728 9.082 -1.562 494 HG LEU 585 HG LEU 585 5.053 7.140 -1.960 495 HD11 LEU 585 1HD1 LEU 585 6.853 7.497 -3.892 496 HD12 LEU 585 2HD1 LEU 585 5.521 8.420 -4.586 497 HD13 LEU 585 3HD1 LEU 585 5.294 6.721 -4.173 498 HD21 LEU 585 3HD2 LEU 585 7.389 8.598 -2.292 499 HD22 LEU 585 1HD2 LEU 585 6.587 8.222 -0.766 500 HD23 LEU 585 2HD2 LEU 585 6.252 9.748 -1.586 501 H LEU 586 H LEU 586 1.744 10.680 -3.960 502 HA LEU 586 HA LEU 586 -0.172 10.456 -1.810 503 HB2 LEU 586 1HB LEU 586 0.668 12.632 -2.245 504 HB3 LEU 586 2HB LEU 586 0.297 12.502 -3.963 505 HG LEU 586 HG LEU 586 -1.969 12.372 -2.044 506 HD11 LEU 586 1HD1 LEU 586 -0.215 14.735 -2.455 507 HD12 LEU 586 2HD1 LEU 586 -1.119 14.229 -1.028 508 HD13 LEU 586 3HD1 LEU 586 -1.960 14.986 -2.381 509 HD21 LEU 586 3HD2 LEU 586 -3.012 12.442 -4.006 510 HD22 LEU 586 1HD2 LEU 586 -1.511 12.804 -4.859 511 HD23 LEU 586 2HD2 LEU 586 -2.467 14.112 -4.163 512 H GLU 587 H GLU 587 -0.005 9.607 -5.121 513 HA GLU 587 HA GLU 587 -2.823 9.695 -5.649 514 HB2 GLU 587 1HB GLU 587 -0.895 9.804 -7.352 515 HB3 GLU 587 2HB GLU 587 -0.822 8.055 -7.184 516 HG2 GLU 587 1HG GLU 587 -3.308 9.552 -7.967 517 HG3 GLU 587 2HG GLU 587 -2.158 8.881 -9.122 518 H ILE 588 H ILE 588 -0.505 7.012 -5.253 519 HA ILE 588 HA ILE 588 -1.992 4.812 -5.384 520 HB ILE 588 HB ILE 588 -0.757 4.182 -3.064 521 HG12 ILE 588 1HG1 ILE 588 1.056 6.270 -4.256 522 HG13 ILE 588 2HG1 ILE 588 -0.059 6.660 -2.951 523 HG21 ILE 588 1HG2 ILE 588 -0.379 3.017 -5.113 524 HG22 ILE 588 2HG2 ILE 588 0.434 4.412 -5.820 525 HG23 ILE 588 3HG2 ILE 588 1.190 3.531 -4.492 526 HD11 ILE 588 3HD1 ILE 588 2.283 4.793 -2.908 527 HD12 ILE 588 1HD1 ILE 588 1.987 6.218 -1.913 528 HD13 ILE 588 2HD1 ILE 588 1.028 4.758 -1.669 529 H ASP 589 H ASP 589 -1.742 6.557 -2.279 530 HA ASP 589 HA ASP 589 -4.439 6.745 -1.715 531 HB2 ASP 589 1HB ASP 589 -3.568 4.050 -1.558 532 HB3 ASP 589 2HB ASP 589 -3.844 4.603 0.092 533 H ASN 590 H ASN 590 -4.253 8.454 -0.430 534 HA ASN 590 HA ASN 590 -2.082 9.184 1.105 535 HB2 ASN 590 1HB ASN 590 -5.010 9.852 1.392 536 HB3 ASN 590 2HB ASN 590 -3.775 10.581 2.414 537 HD21 ASN 590 2HD2 ASN 590 -5.588 11.764 0.426 538 HD22 ASN 590 1HD2 ASN 590 -4.570 12.593 -0.696 539 H SER 591 H SER 591 -4.974 7.397 2.128 540 HA SER 591 HA SER 591 -4.473 7.187 4.832 541 HB2 SER 591 1HB SER 591 -6.089 5.764 2.874 542 HB3 SER 591 2HB SER 591 -5.510 4.692 4.150 543 HG SER 591 HG SER 591 -6.956 5.553 5.389 544 H GLU 592 H GLU 592 -3.149 5.267 2.184 545 HA GLU 592 HA GLU 592 -1.827 3.354 3.796 546 HB2 GLU 592 1HB GLU 592 -2.345 3.155 1.329 547 HB3 GLU 592 2HB GLU 592 -0.996 4.242 1.034 548 HG2 GLU 592 1HG GLU 592 0.503 2.621 1.285 549 HG3 GLU 592 2HG GLU 592 -0.273 2.013 2.747 550 H LEU 593 H LEU 593 -0.943 6.533 2.620 551 HA LEU 593 HA LEU 593 1.823 6.348 3.279 552 HB2 LEU 593 1HB LEU 593 0.386 8.957 3.193 553 HB3 LEU 593 2HB LEU 593 1.996 8.543 2.608 554 HG LEU 593 HG LEU 593 -0.628 7.853 1.289 555 HD11 LEU 593 1HD1 LEU 593 0.701 10.226 1.243 556 HD12 LEU 593 2HD1 LEU 593 -0.343 9.628 -0.046 557 HD13 LEU 593 3HD1 LEU 593 1.402 9.398 -0.147 558 HD21 LEU 593 3HD2 LEU 593 2.142 7.332 0.236 559 HD22 LEU 593 1HD2 LEU 593 0.602 6.786 -0.427 560 HD23 LEU 593 2HD2 LEU 593 1.193 6.116 1.093 561 H LEU 594 H LEU 594 -1.055 7.454 4.969 562 HA LEU 594 HA LEU 594 0.241 8.686 7.149 563 HB2 LEU 594 1HB LEU 594 -2.487 7.612 6.634 564 HB3 LEU 594 2HB LEU 594 -2.031 7.990 8.294 565 HG LEU 594 HG LEU 594 -2.001 9.947 5.996 566 HD11 LEU 594 1HD1 LEU 594 -4.107 9.070 7.819 567 HD12 LEU 594 2HD1 LEU 594 -4.215 9.959 6.301 568 HD13 LEU 594 3HD1 LEU 594 -3.859 10.816 7.800 569 HD21 LEU 594 3HD2 LEU 594 -2.055 11.066 8.646 570 HD22 LEU 594 1HD2 LEU 594 -0.915 11.350 7.330 571 HD23 LEU 594 2HD2 LEU 594 -0.657 10.009 8.446 572 H HIS 595 H HIS 595 -0.245 5.390 6.317 573 HA HIS 595 HA HIS 595 0.512 4.539 9.031 574 HB2 HIS 595 1HB HIS 595 -1.583 3.646 7.588 575 HB3 HIS 595 2HB HIS 595 -0.348 2.516 7.041 576 HD1 HIS 595 HD1 HIS 595 -1.165 0.460 8.248 577 HD2 HIS 595 HD2 HIS 595 -0.649 3.715 10.777 578 HE1 HIS 595 HE1 HIS 595 -1.424 -0.451 10.577 579 H MET 596 H MET 596 1.631 4.864 5.839 580 HA MET 596 HA MET 596 3.667 2.803 6.084 581 HB2 MET 596 1HB MET 596 2.852 2.927 3.897 582 HB3 MET 596 2HB MET 596 2.826 4.685 3.904 583 HG2 MET 596 1HG MET 596 5.487 3.519 4.245 584 HG3 MET 596 2HG MET 596 4.716 3.147 2.704 585 HE1 MET 596 3HE MET 596 3.098 4.994 1.869 586 HE2 MET 596 1HE MET 596 3.382 6.730 1.995 587 HE3 MET 596 2HE MET 596 4.223 5.787 0.766 588 H LEU 597 H LEU 597 3.385 6.311 6.134 589 HA LEU 597 HA LEU 597 6.144 6.900 6.117 590 HB2 LEU 597 1HB LEU 597 5.538 9.071 6.445 591 HB3 LEU 597 2HB LEU 597 4.020 8.415 5.837 592 HG LEU 597 HG LEU 597 3.436 9.816 7.631 593 HD11 LEU 597 1HD1 LEU 597 2.057 8.366 8.604 594 HD12 LEU 597 2HD1 LEU 597 3.388 7.482 9.350 595 HD13 LEU 597 3HD1 LEU 597 2.898 7.107 7.698 596 HD21 LEU 597 3HD2 LEU 597 4.696 10.247 9.434 597 HD22 LEU 597 1HD2 LEU 597 5.976 9.431 8.536 598 HD23 LEU 597 2HD2 LEU 597 5.031 8.541 9.731 599 H GLU 598 H GLU 598 4.215 5.435 8.461 600 HA GLU 598 HA GLU 598 5.532 6.413 10.801 601 HB2 GLU 598 1HB GLU 598 4.231 4.881 12.007 602 HB3 GLU 598 2HB GLU 598 3.215 5.325 10.643 603 HG2 GLU 598 1HG GLU 598 2.932 3.075 10.612 604 HG3 GLU 598 2HG GLU 598 4.337 3.206 9.555 605 H SER 599 H SER 599 6.530 4.399 8.341 606 HA SER 599 HA SER 599 8.551 3.146 10.084 607 HB2 SER 599 1HB SER 599 6.923 1.497 9.163 608 HB3 SER 599 2HB SER 599 7.413 1.970 7.536 609 HG SER 599 HG SER 599 8.699 0.379 9.376 610 HA PRO 600 HA PRO 600 11.496 5.319 7.620 611 HB2 PRO 600 1HB PRO 600 13.700 3.898 8.319 612 HB3 PRO 600 2HB PRO 600 12.929 5.066 9.398 613 HG2 PRO 600 1HG PRO 600 12.677 2.084 9.345 614 HG3 PRO 600 2HG PRO 600 12.854 3.167 10.738 615 HD2 PRO 600 1HD PRO 600 10.465 2.137 9.988 616 HD3 PRO 600 2HD PRO 600 10.621 3.739 10.736 617 H GLU 601 H GLU 601 11.830 1.764 7.634 618 HA GLU 601 HA GLU 601 13.183 1.548 5.196 619 HB2 GLU 601 1HB GLU 601 11.329 -0.427 6.539 620 HB3 GLU 601 2HB GLU 601 12.401 -0.811 5.199 621 HG2 GLU 601 1HG GLU 601 13.217 0.084 7.953 622 HG3 GLU 601 2HG GLU 601 13.384 -1.534 7.272 623 H SER 602 H SER 602 9.833 2.064 5.905 624 HA SER 602 HA SER 602 8.896 1.300 3.287 625 HB2 SER 602 1HB SER 602 7.634 1.386 5.637 626 HB3 SER 602 2HB SER 602 7.236 3.011 5.078 627 HG SER 602 HG SER 602 6.545 1.901 3.076 628 H LEU 603 H LEU 603 9.218 4.369 5.064 629 HA LEU 603 HA LEU 603 8.369 6.104 3.087 630 HB2 LEU 603 1HB LEU 603 8.788 6.871 5.320 631 HB3 LEU 603 2HB LEU 603 10.498 6.465 5.187 632 HG LEU 603 HG LEU 603 9.721 8.944 5.013 633 HD11 LEU 603 1HD1 LEU 603 12.002 7.802 4.512 634 HD12 LEU 603 2HD1 LEU 603 11.702 9.445 3.948 635 HD13 LEU 603 3HD1 LEU 603 11.568 8.091 2.827 636 HD21 LEU 603 3HD2 LEU 603 8.132 8.099 3.065 637 HD22 LEU 603 1HD2 LEU 603 9.574 8.408 2.098 638 HD23 LEU 603 2HD2 LEU 603 8.857 9.708 3.050 639 H ARG 604 H ARG 604 11.769 5.282 3.802 640 HA ARG 604 HA ARG 604 12.898 6.543 1.597 641 HB2 ARG 604 1HB ARG 604 14.100 5.572 3.601 642 HB3 ARG 604 2HB ARG 604 13.938 3.996 2.838 643 HG2 ARG 604 1HG ARG 604 15.315 4.645 1.015 644 HG3 ARG 604 2HG ARG 604 15.293 6.335 1.522 645 HD2 ARG 604 1HD ARG 604 16.310 4.301 3.438 646 HD3 ARG 604 2HD ARG 604 17.331 4.737 2.068 647 HE ARG 604 HE ARG 604 16.390 7.072 3.336 648 HH11 ARG 604 1HH1 ARG 604 18.609 4.433 3.816 649 HH12 ARG 604 2HH1 ARG 604 19.679 5.345 4.828 650 HH21 ARG 604 1HH2 ARG 604 17.791 8.284 4.666 651 HH22 ARG 604 2HH2 ARG 604 19.213 7.536 5.311 652 H SER 605 H SER 605 11.638 3.255 1.927 653 HA SER 605 HA SER 605 12.468 2.210 -0.513 654 HB2 SER 605 1HB SER 605 11.552 0.607 0.889 655 HB3 SER 605 2HB SER 605 10.182 1.626 1.332 656 HG SER 605 HG SER 605 9.146 0.524 -0.119 657 H LYS 606 H LYS 606 9.410 3.855 0.270 658 HA LYS 606 HA LYS 606 8.283 3.760 -2.284 659 HB2 LYS 606 1HB LYS 606 7.935 5.746 -0.037 660 HB3 LYS 606 2HB LYS 606 6.967 5.777 -1.505 661 HG2 LYS 606 1HG LYS 606 7.122 3.478 0.434 662 HG3 LYS 606 2HG LYS 606 5.815 4.660 0.339 663 HD2 LYS 606 1HD LYS 606 6.644 2.752 -1.848 664 HD3 LYS 606 2HD LYS 606 5.220 2.592 -0.816 665 HE2 LYS 606 1HE LYS 606 4.407 4.766 -1.695 666 HE3 LYS 606 2HE LYS 606 5.782 4.795 -2.799 667 HZ1 LYS 606 3HZ LYS 606 4.272 3.828 -4.151 668 HZ2 LYS 606 1HZ LYS 606 3.365 3.170 -2.884 669 HZ3 LYS 606 2HZ LYS 606 4.797 2.418 -3.378 670 H VAL 607 H VAL 607 10.103 6.416 -0.751 671 HA VAL 607 HA VAL 607 10.128 8.204 -2.850 672 HB VAL 607 HB VAL 607 12.360 7.670 -0.885 673 HG11 VAL 607 1HG1 VAL 607 11.953 9.753 -2.964 674 HG12 VAL 607 2HG1 VAL 607 12.660 10.244 -1.423 675 HG13 VAL 607 3HG1 VAL 607 13.440 8.996 -2.396 676 HG21 VAL 607 3HG2 VAL 607 10.911 10.039 -0.318 677 HG22 VAL 607 1HG2 VAL 607 9.745 8.735 -0.544 678 HG23 VAL 607 2HG2 VAL 607 11.032 8.570 0.651 679 H ASP 608 H ASP 608 12.545 5.679 -2.160 680 HA ASP 608 HA ASP 608 14.217 6.125 -4.331 681 HB2 ASP 608 1HB ASP 608 14.888 4.638 -2.557 682 HB3 ASP 608 2HB ASP 608 13.548 3.548 -2.902 683 H GLU 609 H GLU 609 11.411 3.952 -4.100 684 HA GLU 609 HA GLU 609 11.536 2.883 -6.669 685 HB2 GLU 609 1HB GLU 609 10.068 2.000 -4.915 686 HB3 GLU 609 2HB GLU 609 9.086 3.457 -4.992 687 HG2 GLU 609 1HG GLU 609 7.919 1.812 -6.198 688 HG3 GLU 609 2HG GLU 609 8.631 2.886 -7.400 689 H ALA 610 H ALA 610 9.623 5.663 -5.523 690 HA ALA 610 HA ALA 610 8.450 6.410 -7.903 691 HB1 ALA 610 3HB ALA 610 9.115 8.810 -6.611 692 HB2 ALA 610 1HB ALA 610 7.605 7.905 -6.499 693 HB3 ALA 610 2HB ALA 610 8.900 7.608 -5.338 694 H VAL 611 H VAL 611 11.452 7.816 -6.571 695 HA VAL 611 HA VAL 611 12.174 9.372 -8.725 696 HB VAL 611 HB VAL 611 14.072 7.838 -6.944 697 HG11 VAL 611 1HG1 VAL 611 15.636 8.712 -8.270 698 HG12 VAL 611 2HG1 VAL 611 14.468 9.742 -9.099 699 HG13 VAL 611 3HG1 VAL 611 15.199 10.278 -7.586 700 HG21 VAL 611 3HG2 VAL 611 13.541 9.202 -5.267 701 HG22 VAL 611 1HG2 VAL 611 13.719 10.624 -6.296 702 HG23 VAL 611 2HG2 VAL 611 12.179 9.767 -6.236 703 H ALA 612 H ALA 612 12.972 5.960 -8.147 704 HA ALA 612 HA ALA 612 14.603 5.527 -10.358 705 HB1 ALA 612 3HB ALA 612 14.480 3.861 -8.668 706 HB2 ALA 612 1HB ALA 612 12.743 3.661 -8.901 707 HB3 ALA 612 2HB ALA 612 13.869 3.133 -10.153 708 H VAL 613 H VAL 613 11.079 5.399 -10.081 709 HA VAL 613 HA VAL 613 10.563 4.404 -12.670 710 HB VAL 613 HB VAL 613 8.821 6.125 -10.899 711 HG11 VAL 613 1HG1 VAL 613 7.355 6.219 -12.562 712 HG12 VAL 613 2HG1 VAL 613 8.474 5.345 -13.611 713 HG13 VAL 613 3HG1 VAL 613 7.312 4.457 -12.624 714 HG21 VAL 613 3HG2 VAL 613 9.510 3.282 -10.925 715 HG22 VAL 613 1HG2 VAL 613 8.819 4.272 -9.640 716 HG23 VAL 613 2HG2 VAL 613 7.776 3.600 -10.893 717 H LEU 614 H LEU 614 10.815 7.700 -11.399 718 HA LEU 614 HA LEU 614 9.980 9.161 -13.576 719 HB2 LEU 614 1HB LEU 614 12.377 9.893 -11.914 720 HB3 LEU 614 2HB LEU 614 11.259 10.980 -12.736 721 HG LEU 614 HG LEU 614 10.808 9.392 -10.223 722 HD11 LEU 614 1HD1 LEU 614 10.354 12.314 -10.756 723 HD12 LEU 614 2HD1 LEU 614 11.903 11.676 -10.206 724 HD13 LEU 614 3HD1 LEU 614 10.465 11.486 -9.203 725 HD21 LEU 614 3HD2 LEU 614 8.482 10.311 -10.306 726 HD22 LEU 614 1HD2 LEU 614 8.820 9.052 -11.494 727 HD23 LEU 614 2HD2 LEU 614 8.777 10.744 -11.991 728 H GLN 615 H GLN 615 13.078 7.574 -13.059 729 HA GLN 615 HA GLN 615 14.576 8.687 -15.101 730 HB2 GLN 615 1HB GLN 615 15.564 7.179 -13.489 731 HB3 GLN 615 2HB GLN 615 14.571 5.848 -14.068 732 HG2 GLN 615 1HG GLN 615 15.776 5.650 -16.051 733 HG3 GLN 615 2HG GLN 615 16.488 7.254 -15.884 734 HE21 GLN 615 2HE2 GLN 615 18.600 6.713 -15.939 735 HE22 GLN 615 1HE2 GLN 615 19.380 5.716 -14.763 736 H ALA 616 H ALA 616 12.140 6.151 -15.247 737 HA ALA 616 HA ALA 616 12.558 5.193 -17.814 738 HB1 ALA 616 3HB ALA 616 9.774 5.590 -16.809 739 HB2 ALA 616 1HB ALA 616 10.472 4.221 -17.675 740 HB3 ALA 616 2HB ALA 616 10.860 4.480 -15.974 741 H HIS 617 H HIS 617 11.137 8.197 -16.761 742 HA HIS 617 HA HIS 617 10.408 8.852 -19.531 743 HB2 HIS 617 1HB HIS 617 8.753 9.076 -17.545 744 HB3 HIS 617 2HB HIS 617 9.675 10.521 -17.142 745 HD1 HIS 617 HD1 HIS 617 8.077 9.144 -20.321 746 HD2 HIS 617 HD2 HIS 617 8.521 12.701 -18.220 747 HE1 HIS 617 HE1 HIS 617 6.826 10.873 -21.652 748 H GLN 618 H GLN 618 11.594 10.691 -16.713 749 HA GLN 618 HA GLN 618 13.827 11.689 -18.286 750 HB2 GLN 618 1HB GLN 618 11.648 13.459 -17.184 751 HB3 GLN 618 2HB GLN 618 13.244 14.064 -17.607 752 HG2 GLN 618 1HG GLN 618 11.425 12.640 -19.531 753 HG3 GLN 618 2HG GLN 618 11.502 14.392 -19.354 754 HE21 GLN 618 2HE2 GLN 618 11.992 13.930 -21.738 755 HE22 GLN 618 1HE2 GLN 618 13.666 13.817 -22.150 756 H ALA 619 H ALA 619 15.588 12.158 -17.070 757 HA ALA 619 HA ALA 619 15.282 11.891 -14.153 758 HB1 ALA 619 3HB ALA 619 16.628 10.119 -14.769 759 HB2 ALA 619 1HB ALA 619 17.441 11.039 -16.035 760 HB3 ALA 619 2HB ALA 619 17.817 11.349 -14.339 761 H LYS 620 H LYS 620 14.753 14.213 -14.155 762 HA LYS 620 HA LYS 620 15.275 16.388 -13.746 763 HB2 LYS 620 1HB LYS 620 16.918 15.101 -12.207 764 HB3 LYS 620 2HB LYS 620 18.143 15.572 -13.377 765 HG2 LYS 620 1HG LYS 620 17.147 17.965 -12.993 766 HG3 LYS 620 2HG LYS 620 16.586 17.252 -11.479 767 HD2 LYS 620 1HD LYS 620 19.446 17.177 -12.433 768 HD3 LYS 620 2HD LYS 620 18.804 18.386 -11.319 769 HE2 LYS 620 1HE LYS 620 18.340 16.738 -9.670 770 HE3 LYS 620 2HE LYS 620 18.643 15.424 -10.805 771 HZ1 LYS 620 3HZ LYS 620 20.473 15.890 -9.188 772 HZ2 LYS 620 1HZ LYS 620 20.729 17.362 -9.982 773 HZ3 LYS 620 2HZ LYS 620 20.943 15.904 -10.813 774 H GLU 621 H GLU 621 15.448 15.379 -16.465 775 HA GLU 621 HA GLU 621 17.697 16.666 -17.716 776 HB2 GLU 621 1HB GLU 621 16.521 14.609 -18.600 777 HB3 GLU 621 2HB GLU 621 15.186 15.659 -19.052 778 HG2 GLU 621 1HG GLU 621 16.413 15.438 -21.008 779 HG3 GLU 621 2HG GLU 621 16.923 16.997 -20.365 780 H ALA 622 H ALA 622 14.384 17.467 -16.985 781 HA ALA 622 HA ALA 622 13.174 19.384 -17.193 782 HB1 ALA 622 3HB ALA 622 14.392 21.502 -17.146 783 HB2 ALA 622 1HB ALA 622 15.052 20.355 -15.980 784 HB3 ALA 622 2HB ALA 622 15.894 20.649 -17.502 785 H ALA 623 H ALA 623 13.054 17.961 -19.428 786 HA ALA 623 HA ALA 623 13.981 19.176 -21.791 787 HB1 ALA 623 3HB ALA 623 12.854 17.543 -22.890 788 HB2 ALA 623 1HB ALA 623 12.828 16.828 -21.278 789 HB3 ALA 623 2HB ALA 623 11.417 17.699 -21.881 Start of MODEL 6 1 H1 ALA 64 1H ALA 64 -1.997 -0.911 -0.990 2 HA ALA 64 HA ALA 64 -0.282 0.539 -2.801 3 HB1 ALA 64 3HB ALA 64 0.615 1.133 -0.859 4 HB2 ALA 64 1HB ALA 64 -0.295 -0.112 -0.003 5 HB3 ALA 64 2HB ALA 64 1.272 -0.497 -0.716 6 H PHE 65 H PHE 65 1.687 -0.239 -3.676 7 HA PHE 65 HA PHE 65 2.084 -3.134 -3.695 8 HB2 PHE 65 1HB PHE 65 2.447 -2.927 -6.245 9 HB3 PHE 65 2HB PHE 65 0.793 -2.986 -5.644 10 HD1 PHE 65 HD2 PHE 65 -0.600 -0.979 -5.639 11 HD2 PHE 65 HD1 PHE 65 3.333 -0.956 -7.267 12 HE1 PHE 65 HE2 PHE 65 -1.095 1.135 -6.795 13 HE2 PHE 65 HE1 PHE 65 2.844 1.160 -8.425 14 HZ PHE 65 HZ PHE 65 0.628 2.207 -8.191 15 H SER 66 H SER 66 4.189 -3.763 -3.943 16 HA SER 66 HA SER 66 6.184 -1.714 -3.575 17 HB2 SER 66 1HB SER 66 7.745 -3.733 -3.496 18 HB3 SER 66 2HB SER 66 6.497 -3.661 -2.252 19 HG SER 66 HG SER 66 6.327 -5.682 -3.011 20 H ARG 67 H ARG 67 5.208 -3.947 -6.106 21 HA ARG 67 HA ARG 67 7.368 -3.796 -7.820 22 HB2 ARG 67 1HB ARG 67 5.740 -4.236 -9.645 23 HB3 ARG 67 2HB ARG 67 5.533 -5.299 -8.259 24 HG2 ARG 67 1HG ARG 67 3.612 -4.095 -7.527 25 HG3 ARG 67 2HG ARG 67 3.889 -2.823 -8.718 26 HD2 ARG 67 1HD ARG 67 2.105 -4.307 -9.446 27 HD3 ARG 67 2HD ARG 67 3.497 -4.432 -10.521 28 HE ARG 67 HE ARG 67 3.852 -6.426 -8.685 29 HH11 ARG 67 1HH1 ARG 67 1.338 -5.536 -10.922 30 HH12 ARG 67 2HH1 ARG 67 0.797 -7.165 -11.165 31 HH21 ARG 67 1HH2 ARG 67 3.150 -8.574 -8.996 32 HH22 ARG 67 2HH2 ARG 67 1.828 -8.892 -10.068 33 H GLN 68 H GLN 68 7.292 -2.649 -10.025 34 HA GLN 68 HA GLN 68 7.712 0.054 -9.692 35 HB2 GLN 68 1HB GLN 68 8.476 -1.278 -11.638 36 HB3 GLN 68 2HB GLN 68 6.824 -1.309 -12.239 37 HG2 GLN 68 1HG GLN 68 6.825 1.001 -12.674 38 HG3 GLN 68 2HG GLN 68 8.292 1.256 -11.730 39 HE21 GLN 68 2HE2 GLN 68 7.067 0.943 -14.782 40 HE22 GLN 68 1HE2 GLN 68 8.523 0.564 -15.632 41 H LEU 69 H LEU 69 6.535 1.924 -10.241 42 HA LEU 69 HA LEU 69 3.613 1.545 -10.223 43 HB2 LEU 69 1HB LEU 69 3.556 3.847 -9.219 44 HB3 LEU 69 2HB LEU 69 4.229 2.580 -8.196 45 HG LEU 69 HG LEU 69 6.519 3.425 -9.003 46 HD11 LEU 69 1HD1 LEU 69 6.459 5.884 -9.535 47 HD12 LEU 69 2HD1 LEU 69 4.732 5.696 -9.839 48 HD13 LEU 69 3HD1 LEU 69 5.901 4.812 -10.820 49 HD21 LEU 69 3HD2 LEU 69 6.255 3.876 -6.803 50 HD22 LEU 69 1HD2 LEU 69 4.663 4.602 -7.029 51 HD23 LEU 69 2HD2 LEU 69 6.116 5.532 -7.396 52 H ASN 70 H ASN 70 2.589 3.819 -10.970 53 HA ASN 70 HA ASN 70 3.638 4.229 -13.677 54 HB2 ASN 70 1HB ASN 70 1.417 5.071 -14.237 55 HB3 ASN 70 2HB ASN 70 1.290 3.489 -13.473 56 HD21 ASN 70 2HD2 ASN 70 -0.589 5.788 -13.710 57 HD22 ASN 70 1HD2 ASN 70 -1.094 6.116 -12.090 58 H VAL 71 H VAL 71 4.436 6.133 -14.332 59 HA VAL 71 HA VAL 71 4.744 8.245 -12.374 60 HB VAL 71 HB VAL 71 6.637 7.572 -13.817 61 HG11 VAL 71 1HG1 VAL 71 6.638 8.339 -16.180 62 HG12 VAL 71 2HG1 VAL 71 5.485 7.042 -15.858 63 HG13 VAL 71 3HG1 VAL 71 4.921 8.706 -16.020 64 HG21 VAL 71 3HG2 VAL 71 7.449 9.769 -14.227 65 HG22 VAL 71 1HG2 VAL 71 5.814 10.411 -14.388 66 HG23 VAL 71 2HG2 VAL 71 6.397 9.868 -12.815 67 H ASN 72 H ASN 72 2.542 7.470 -14.807 68 HA ASN 72 HA ASN 72 1.913 10.072 -15.761 69 HB2 ASN 72 1HB ASN 72 0.831 7.360 -16.038 70 HB3 ASN 72 2HB ASN 72 -0.401 8.619 -16.083 71 HD21 ASN 72 2HD2 ASN 72 2.449 7.337 -17.617 72 HD22 ASN 72 1HD2 ASN 72 2.260 8.175 -19.117 73 H ALA 73 H ALA 73 1.125 8.327 -12.898 74 HA ALA 73 HA ALA 73 -1.303 9.398 -12.136 75 HB1 ALA 73 3HB ALA 73 -0.906 8.409 -10.161 76 HB2 ALA 73 1HB ALA 73 0.529 7.769 -10.961 77 HB3 ALA 73 2HB ALA 73 0.649 9.214 -9.957 78 H LYS 74 H LYS 74 -1.960 11.421 -11.895 79 HA LYS 74 HA LYS 74 -0.404 13.688 -12.098 80 HB2 LYS 74 1HB LYS 74 -3.147 13.076 -11.296 81 HB3 LYS 74 2HB LYS 74 -2.512 14.519 -10.515 82 HG2 LYS 74 1HG LYS 74 -2.512 15.710 -12.420 83 HG3 LYS 74 2HG LYS 74 -2.014 14.333 -13.407 84 HD2 LYS 74 1HD LYS 74 -4.115 13.954 -14.037 85 HD3 LYS 74 2HD LYS 74 -4.662 13.915 -12.359 86 HE2 LYS 74 1HE LYS 74 -5.865 15.654 -13.442 87 HE3 LYS 74 2HE LYS 74 -4.664 16.426 -12.408 88 HZ1 LYS 74 3HZ LYS 74 -4.125 15.908 -15.266 89 HZ2 LYS 74 1HZ LYS 74 -3.360 17.003 -14.229 90 HZ3 LYS 74 2HZ LYS 74 -4.935 17.305 -14.764 91 HA PRO 75 HA PRO 75 1.570 14.417 -8.249 92 HB2 PRO 75 1HB PRO 75 1.281 17.097 -7.929 93 HB3 PRO 75 2HB PRO 75 2.365 16.384 -9.130 94 HG2 PRO 75 1HG PRO 75 -0.393 17.491 -9.488 95 HG3 PRO 75 2HG PRO 75 1.038 17.702 -10.512 96 HD2 PRO 75 1HD PRO 75 -0.935 15.946 -11.110 97 HD3 PRO 75 2HD PRO 75 0.764 15.654 -11.534 98 H PHE 76 H PHE 76 -0.583 17.094 -7.737 99 HA PHE 76 HA PHE 76 -2.529 15.794 -6.158 100 HB2 PHE 76 1HB PHE 76 -1.825 16.429 -3.929 101 HB3 PHE 76 2HB PHE 76 -0.563 15.453 -4.674 102 HD1 PHE 76 HD2 PHE 76 1.275 16.870 -5.957 103 HD2 PHE 76 HD1 PHE 76 -1.205 18.336 -2.823 104 HE1 PHE 76 HE2 PHE 76 2.918 18.641 -5.490 105 HE2 PHE 76 HE1 PHE 76 0.434 20.110 -2.352 106 HZ PHE 76 HZ PHE 76 2.499 20.263 -3.685 107 H VAL 77 H VAL 77 -3.221 17.717 -4.355 108 HA VAL 77 HA VAL 77 -3.749 20.036 -6.091 109 HB VAL 77 HB VAL 77 -5.367 19.021 -3.750 110 HG11 VAL 77 1HG1 VAL 77 -5.267 21.583 -4.952 111 HG12 VAL 77 2HG1 VAL 77 -6.792 20.830 -5.420 112 HG13 VAL 77 3HG1 VAL 77 -6.376 20.996 -3.714 113 HG21 VAL 77 3HG2 VAL 77 -5.642 17.515 -5.570 114 HG22 VAL 77 1HG2 VAL 77 -7.065 18.556 -5.546 115 HG23 VAL 77 2HG2 VAL 77 -5.785 18.838 -6.727 116 HA PRO 78 HA PRO 78 -1.024 21.710 -2.778 117 HB2 PRO 78 1HB PRO 78 0.208 23.499 -4.405 118 HB3 PRO 78 2HB PRO 78 0.728 21.816 -4.259 119 HG2 PRO 78 1HG PRO 78 -0.962 23.101 -6.370 120 HG3 PRO 78 2HG PRO 78 0.356 21.929 -6.552 121 HD2 PRO 78 1HD PRO 78 -2.254 21.214 -6.656 122 HD3 PRO 78 2HD PRO 78 -0.994 20.138 -6.018 123 H ASN 79 H ASN 79 -0.499 24.288 -2.617 124 HA ASN 79 HA ASN 79 -3.106 25.641 -2.861 125 HB2 ASN 79 1HB ASN 79 -2.352 25.015 -0.509 126 HB3 ASN 79 2HB ASN 79 -1.068 26.204 -0.708 127 HD21 ASN 79 2HD2 ASN 79 -1.558 28.370 -0.695 128 HD22 ASN 79 1HD2 ASN 79 -3.104 28.978 -0.219 129 H VAL 80 H VAL 80 -1.898 26.093 -5.018 130 HA VAL 80 HA VAL 80 -0.665 28.737 -4.737 131 HB VAL 80 HB VAL 80 1.179 27.131 -5.047 132 HG11 VAL 80 1HG1 VAL 80 1.392 25.746 -6.930 133 HG12 VAL 80 2HG1 VAL 80 -0.278 25.533 -6.402 134 HG13 VAL 80 3HG1 VAL 80 0.085 26.564 -7.786 135 HG21 VAL 80 3HG2 VAL 80 1.239 29.459 -5.970 136 HG22 VAL 80 1HG2 VAL 80 2.300 28.314 -6.790 137 HG23 VAL 80 2HG2 VAL 80 0.772 28.787 -7.532 138 H HIS 81 H HIS 81 -1.127 30.170 -6.379 139 HA HIS 81 HA HIS 81 -3.263 29.328 -8.197 140 HB2 HIS 81 1HB HIS 81 -2.326 32.120 -7.505 141 HB3 HIS 81 2HB HIS 81 -3.752 31.706 -8.452 142 HD1 HIS 81 HD1 HIS 81 -5.871 31.194 -7.190 143 HD2 HIS 81 HD2 HIS 81 -2.549 31.479 -4.712 144 HE1 HIS 81 HE1 HIS 81 -6.778 31.167 -4.844 145 H ALA 82 H ALA 82 -0.443 31.514 -8.344 146 HA ALA 82 HA ALA 82 -0.320 31.435 -11.188 147 HB1 ALA 82 3HB ALA 82 1.600 32.436 -9.099 148 HB2 ALA 82 1HB ALA 82 1.907 32.559 -10.832 149 HB3 ALA 82 2HB ALA 82 0.515 33.379 -10.121 150 H1 GLY 541 1H GLY 541 2.464 29.224 8.907 151 HA2 GLY 541 1HA GLY 541 3.154 30.539 11.334 152 HA3 GLY 541 2HA GLY 541 1.419 30.273 11.248 153 H GLN 542 H GLN 542 1.186 27.838 10.100 154 HA GLN 542 HA GLN 542 2.940 25.857 11.065 155 HB2 GLN 542 1HB GLN 542 1.401 26.937 13.096 156 HB3 GLN 542 2HB GLN 542 0.514 25.488 12.643 157 HG2 GLN 542 1HG GLN 542 2.834 24.334 12.809 158 HG3 GLN 542 2HG GLN 542 3.264 25.749 13.768 159 HE21 GLN 542 2HE2 GLN 542 3.403 23.368 14.966 160 HE22 GLN 542 1HE2 GLN 542 2.111 23.160 16.093 161 H GLU 543 H GLU 543 2.472 23.898 10.181 162 HA GLU 543 HA GLU 543 -0.199 23.459 9.066 163 HB2 GLU 543 1HB GLU 543 2.383 23.397 7.510 164 HB3 GLU 543 2HB GLU 543 0.924 22.590 6.954 165 HG2 GLU 543 1HG GLU 543 0.904 25.499 7.648 166 HG3 GLU 543 2HG GLU 543 1.451 24.939 6.069 167 HA PRO 544 HA PRO 544 1.599 19.745 11.215 168 HB2 PRO 544 1HB PRO 544 -0.606 19.249 12.719 169 HB3 PRO 544 2HB PRO 544 0.676 20.354 13.229 170 HG2 PRO 544 1HG PRO 544 -1.972 20.974 11.977 171 HG3 PRO 544 2HG PRO 544 -1.155 21.785 13.326 172 HD2 PRO 544 1HD PRO 544 -1.133 22.772 10.805 173 HD3 PRO 544 2HD PRO 544 0.222 22.995 11.929 174 H LEU 545 H LEU 545 0.887 17.534 11.072 175 HA LEU 545 HA LEU 545 -1.457 16.974 9.442 176 HB2 LEU 545 1HB LEU 545 0.669 17.376 8.007 177 HB3 LEU 545 2HB LEU 545 1.151 15.784 8.588 178 HG LEU 545 HG LEU 545 0.123 15.719 6.351 179 HD11 LEU 545 1HD1 LEU 545 -1.862 14.368 8.090 180 HD12 LEU 545 2HD1 LEU 545 -0.164 13.948 8.305 181 HD13 LEU 545 3HD1 LEU 545 -0.930 13.742 6.730 182 HD21 LEU 545 3HD2 LEU 545 -2.137 16.279 5.968 183 HD22 LEU 545 1HD2 LEU 545 -1.445 17.646 6.841 184 HD23 LEU 545 2HD2 LEU 545 -2.461 16.481 7.690 185 H THR 546 H THR 546 -2.419 15.124 10.029 186 HA THR 546 HA THR 546 -0.984 12.881 11.078 187 HB THR 546 HB THR 546 -1.002 14.289 13.091 188 HG1 THR 546 HG1 THR 546 -2.929 12.297 13.591 189 HG21 THR 546 3HG2 THR 546 -3.898 14.051 13.519 190 HG22 THR 546 1HG2 THR 546 -3.435 15.172 12.240 191 HG23 THR 546 2HG2 THR 546 -2.806 15.389 13.873 192 H ALA 547 H ALA 547 -2.529 11.139 11.819 193 HA ALA 547 HA ALA 547 -4.423 10.616 9.843 194 HB1 ALA 547 3HB ALA 547 -4.883 8.643 10.967 195 HB2 ALA 547 1HB ALA 547 -3.249 9.024 11.514 196 HB3 ALA 547 2HB ALA 547 -4.631 9.369 12.554 197 H SER 548 H SER 548 -4.688 12.437 12.763 198 HA SER 548 HA SER 548 -7.564 12.298 12.912 199 HB2 SER 548 1HB SER 548 -5.832 12.721 14.836 200 HB3 SER 548 2HB SER 548 -5.945 14.401 14.311 201 HG SER 548 HG SER 548 -8.090 14.414 14.813 202 H MET 549 H MET 549 -5.148 14.485 11.616 203 HA MET 549 HA MET 549 -6.728 16.740 11.182 204 HB2 MET 549 1HB MET 549 -4.286 15.634 9.843 205 HB3 MET 549 2HB MET 549 -5.087 17.047 9.168 206 HG2 MET 549 1HG MET 549 -4.304 16.961 12.053 207 HG3 MET 549 2HG MET 549 -3.132 17.378 10.804 208 HE1 MET 549 3HE MET 549 -4.628 20.309 9.034 209 HE2 MET 549 1HE MET 549 -3.127 20.364 9.958 210 HE3 MET 549 2HE MET 549 -3.542 18.919 9.037 211 H LEU 550 H LEU 550 -6.037 14.041 8.960 212 HA LEU 550 HA LEU 550 -7.831 14.977 6.953 213 HB2 LEU 550 1HB LEU 550 -6.982 12.121 7.194 214 HB3 LEU 550 2HB LEU 550 -7.260 13.081 5.743 215 HG LEU 550 HG LEU 550 -4.870 13.147 7.573 216 HD11 LEU 550 1HD1 LEU 550 -4.306 11.538 6.104 217 HD12 LEU 550 2HD1 LEU 550 -3.942 12.908 5.056 218 HD13 LEU 550 3HD1 LEU 550 -5.485 12.067 4.904 219 HD21 LEU 550 3HD2 LEU 550 -5.157 15.411 7.116 220 HD22 LEU 550 1HD2 LEU 550 -5.782 15.104 5.495 221 HD23 LEU 550 2HD2 LEU 550 -4.067 14.872 5.837 222 H ALA 551 H ALA 551 -8.204 13.151 9.837 223 HA ALA 551 HA ALA 551 -10.469 11.619 9.222 224 HB1 ALA 551 3HB ALA 551 -10.511 11.082 11.423 225 HB2 ALA 551 1HB ALA 551 -8.898 11.792 11.375 226 HB3 ALA 551 2HB ALA 551 -10.266 12.747 11.950 227 H SER 552 H SER 552 -10.213 14.880 10.623 228 HA SER 552 HA SER 552 -13.100 15.230 10.326 229 HB2 SER 552 1HB SER 552 -11.856 15.888 12.447 230 HB3 SER 552 2HB SER 552 -11.147 17.205 11.513 231 HG SER 552 HG SER 552 -13.178 17.619 12.746 232 H ALA 553 H ALA 553 -11.185 15.155 8.049 233 HA ALA 553 HA ALA 553 -11.873 17.779 6.900 234 HB1 ALA 553 3HB ALA 553 -9.622 18.090 7.010 235 HB2 ALA 553 1HB ALA 553 -9.266 16.364 6.935 236 HB3 ALA 553 2HB ALA 553 -9.705 17.239 5.467 237 HA PRO 554 HA PRO 554 -13.697 15.669 3.512 238 HB2 PRO 554 1HB PRO 554 -13.008 17.237 1.406 239 HB3 PRO 554 2HB PRO 554 -14.195 17.728 2.621 240 HG2 PRO 554 1HG PRO 554 -11.304 18.471 2.389 241 HG3 PRO 554 2HG PRO 554 -12.696 19.498 2.781 242 HD2 PRO 554 1HD PRO 554 -11.013 18.540 4.673 243 HD3 PRO 554 2HD PRO 554 -12.739 18.815 4.982 244 HA PRO 555 HA PRO 555 -10.906 13.007 1.403 245 HB2 PRO 555 1HB PRO 555 -12.130 12.632 -0.991 246 HB3 PRO 555 2HB PRO 555 -12.735 11.935 0.517 247 HG2 PRO 555 1HG PRO 555 -13.640 14.394 -0.930 248 HG3 PRO 555 2HG PRO 555 -14.613 13.127 -0.160 249 HD2 PRO 555 1HD PRO 555 -14.127 15.513 1.025 250 HD3 PRO 555 2HD PRO 555 -14.322 14.009 1.949 251 H GLN 556 H GLN 556 -11.460 16.150 0.275 252 HA GLN 556 HA GLN 556 -9.506 15.926 -1.891 253 HB2 GLN 556 1HB GLN 556 -11.639 17.149 -2.285 254 HB3 GLN 556 2HB GLN 556 -11.160 18.314 -1.058 255 HG2 GLN 556 1HG GLN 556 -9.273 19.005 -2.379 256 HG3 GLN 556 2HG GLN 556 -9.609 17.752 -3.573 257 HE21 GLN 556 2HE2 GLN 556 -11.662 17.901 -4.721 258 HE22 GLN 556 1HE2 GLN 556 -12.317 19.462 -5.061 259 H GLU 557 H GLU 557 -10.063 17.694 1.131 260 HA GLU 557 HA GLU 557 -7.658 19.173 1.073 261 HB2 GLU 557 1HB GLU 557 -9.643 19.694 2.501 262 HB3 GLU 557 2HB GLU 557 -9.226 18.316 3.509 263 HG2 GLU 557 1HG GLU 557 -7.965 19.668 4.717 264 HG3 GLU 557 2HG GLU 557 -6.887 19.819 3.331 265 H GLN 558 H GLN 558 -8.302 15.888 1.725 266 HA GLN 558 HA GLN 558 -6.331 15.224 3.575 267 HB2 GLN 558 1HB GLN 558 -7.352 13.595 1.241 268 HB3 GLN 558 2HB GLN 558 -6.425 12.954 2.591 269 HG2 GLN 558 1HG GLN 558 -8.512 14.266 3.818 270 HG3 GLN 558 2HG GLN 558 -9.255 13.550 2.389 271 HE21 GLN 558 2HE2 GLN 558 -9.792 12.829 5.074 272 HE22 GLN 558 1HE2 GLN 558 -9.314 11.182 5.282 273 H LYS 559 H LYS 559 -6.078 14.754 0.046 274 HA LYS 559 HA LYS 559 -3.324 14.283 0.015 275 HB2 LYS 559 1HB LYS 559 -3.500 14.950 -2.427 276 HB3 LYS 559 2HB LYS 559 -4.568 13.655 -1.900 277 HG2 LYS 559 1HG LYS 559 -6.443 15.136 -1.835 278 HG3 LYS 559 2HG LYS 559 -5.409 16.535 -2.134 279 HD2 LYS 559 1HD LYS 559 -5.044 15.946 -4.355 280 HD3 LYS 559 2HD LYS 559 -5.504 14.263 -4.085 281 HE2 LYS 559 1HE LYS 559 -7.836 15.150 -3.588 282 HE3 LYS 559 2HE LYS 559 -7.282 16.682 -4.259 283 HZ1 LYS 559 3HZ LYS 559 -7.371 14.072 -5.671 284 HZ2 LYS 559 1HZ LYS 559 -6.729 15.497 -6.320 285 HZ3 LYS 559 2HZ LYS 559 -8.377 15.403 -5.951 286 H GLN 560 H GLN 560 -5.139 17.261 0.047 287 HA GLN 560 HA GLN 560 -3.155 19.028 -0.841 288 HB2 GLN 560 1HB GLN 560 -5.445 19.438 1.084 289 HB3 GLN 560 2HB GLN 560 -4.435 20.746 0.482 290 HG2 GLN 560 1HG GLN 560 -5.189 19.516 -1.829 291 HG3 GLN 560 2HG GLN 560 -6.615 19.300 -0.816 292 HE21 GLN 560 2HE2 GLN 560 -4.242 21.914 -1.167 293 HE22 GLN 560 1HE2 GLN 560 -5.401 23.155 -1.486 294 H MET 561 H MET 561 -4.169 18.554 2.548 295 HA MET 561 HA MET 561 -1.924 19.818 3.659 296 HB2 MET 561 1HB MET 561 -3.620 17.680 4.956 297 HB3 MET 561 2HB MET 561 -2.639 18.888 5.775 298 HG2 MET 561 1HG MET 561 -4.084 20.638 5.135 299 HG3 MET 561 2HG MET 561 -4.929 19.612 3.978 300 HE1 MET 561 3HE MET 561 -6.470 16.971 6.364 301 HE2 MET 561 1HE MET 561 -7.204 17.852 5.024 302 HE3 MET 561 2HE MET 561 -5.561 17.230 4.874 303 H LEU 562 H LEU 562 -2.653 16.337 3.386 304 HA LEU 562 HA LEU 562 -0.324 15.318 4.449 305 HB2 LEU 562 1HB LEU 562 -2.274 13.972 3.811 306 HB3 LEU 562 2HB LEU 562 -1.884 14.225 2.111 307 HG LEU 562 HG LEU 562 0.221 12.988 3.786 308 HD11 LEU 562 1HD1 LEU 562 -1.132 11.430 4.630 309 HD12 LEU 562 2HD1 LEU 562 -1.231 10.802 2.986 310 HD13 LEU 562 3HD1 LEU 562 -2.473 11.900 3.586 311 HD21 LEU 562 3HD2 LEU 562 -0.293 13.392 1.070 312 HD22 LEU 562 1HD2 LEU 562 -0.502 11.661 1.336 313 HD23 LEU 562 2HD2 LEU 562 1.013 12.445 1.783 314 H GLY 563 H GLY 563 -0.943 15.769 0.957 315 HA2 GLY 563 1HA GLY 563 1.665 15.245 0.104 316 HA3 GLY 563 2HA GLY 563 0.487 16.199 -0.785 317 H GLU 564 H GLU 564 0.236 18.200 1.336 318 HA GLU 564 HA GLU 564 2.248 19.979 0.472 319 HB2 GLU 564 1HB GLU 564 0.056 20.042 2.474 320 HB3 GLU 564 2HB GLU 564 1.352 21.212 2.680 321 HG2 GLU 564 1HG GLU 564 0.929 22.205 0.589 322 HG3 GLU 564 2HG GLU 564 -0.100 20.869 0.077 323 H ARG 565 H ARG 565 1.802 18.216 3.522 324 HA ARG 565 HA ARG 565 4.237 19.216 4.659 325 HB2 ARG 565 1HB ARG 565 1.994 18.122 5.721 326 HB3 ARG 565 2HB ARG 565 3.073 16.734 5.758 327 HG2 ARG 565 1HG ARG 565 4.745 18.345 6.877 328 HG3 ARG 565 2HG ARG 565 3.329 19.357 7.168 329 HD2 ARG 565 1HD ARG 565 2.454 17.927 8.695 330 HD3 ARG 565 2HD ARG 565 3.075 16.498 7.869 331 HE ARG 565 HE ARG 565 5.100 18.116 9.129 332 HH11 ARG 565 1HH1 ARG 565 2.837 15.500 9.526 333 HH12 ARG 565 2HH1 ARG 565 3.700 14.781 10.845 334 HH21 ARG 565 1HH2 ARG 565 6.245 17.178 10.864 335 HH22 ARG 565 2HH2 ARG 565 5.638 15.737 11.606 336 H LEU 566 H LEU 566 3.280 16.396 2.834 337 HA LEU 566 HA LEU 566 5.667 14.902 3.358 338 HB2 LEU 566 1HB LEU 566 3.213 14.570 1.812 339 HB3 LEU 566 2HB LEU 566 4.634 13.886 1.024 340 HG LEU 566 HG LEU 566 4.924 12.855 3.498 341 HD11 LEU 566 1HD1 LEU 566 2.048 13.522 3.152 342 HD12 LEU 566 2HD1 LEU 566 3.035 13.486 4.613 343 HD13 LEU 566 3HD1 LEU 566 2.472 11.978 3.893 344 HD21 LEU 566 3HD2 LEU 566 4.952 11.662 1.339 345 HD22 LEU 566 1HD2 LEU 566 3.188 11.679 1.330 346 HD23 LEU 566 2HD2 LEU 566 4.054 10.792 2.585 347 H PHE 567 H PHE 567 4.694 17.310 1.059 348 HA PHE 567 HA PHE 567 6.369 16.885 -1.074 349 HB2 PHE 567 1HB PHE 567 4.983 18.695 -1.405 350 HB3 PHE 567 2HB PHE 567 5.256 19.336 0.212 351 HD1 PHE 567 HD1 PHE 567 7.455 18.527 -2.696 352 HD2 PHE 567 HD2 PHE 567 6.199 21.419 0.163 353 HE1 PHE 567 HE1 PHE 567 9.077 20.133 -3.614 354 HE2 PHE 567 HE2 PHE 567 7.819 23.030 -0.750 355 HZ PHE 567 HZ PHE 567 9.260 22.388 -2.642 356 HA PRO 568 HA PRO 568 9.924 19.275 1.164 357 HB2 PRO 568 1HB PRO 568 9.610 19.770 3.815 358 HB3 PRO 568 2HB PRO 568 9.067 20.889 2.559 359 HG2 PRO 568 1HG PRO 568 7.486 18.884 4.122 360 HG3 PRO 568 2HG PRO 568 7.066 20.553 3.694 361 HD2 PRO 568 1HD PRO 568 6.094 18.416 2.346 362 HD3 PRO 568 2HD PRO 568 6.413 19.976 1.561 363 H LEU 569 H LEU 569 8.180 17.054 3.326 364 HA LEU 569 HA LEU 569 10.303 15.942 4.688 365 HB2 LEU 569 1HB LEU 569 7.731 15.524 4.825 366 HB3 LEU 569 2HB LEU 569 8.080 14.198 3.717 367 HG LEU 569 HG LEU 569 7.941 13.456 6.052 368 HD11 LEU 569 1HD1 LEU 569 10.820 13.198 5.334 369 HD12 LEU 569 2HD1 LEU 569 9.601 12.553 4.235 370 HD13 LEU 569 3HD1 LEU 569 9.682 11.975 5.899 371 HD21 LEU 569 3HD2 LEU 569 10.452 15.023 6.572 372 HD22 LEU 569 1HD2 LEU 569 9.425 14.176 7.728 373 HD23 LEU 569 2HD2 LEU 569 8.850 15.653 6.954 374 H ILE 570 H ILE 570 9.137 15.217 1.448 375 HA ILE 570 HA ILE 570 10.868 12.968 1.065 376 HB ILE 570 HB ILE 570 9.287 14.628 -0.897 377 HG12 ILE 570 1HG1 ILE 570 8.855 11.806 0.104 378 HG13 ILE 570 2HG1 ILE 570 8.019 13.222 0.734 379 HG21 ILE 570 1HG2 ILE 570 9.737 12.537 -2.370 380 HG22 ILE 570 2HG2 ILE 570 10.963 13.799 -2.255 381 HG23 ILE 570 3HG2 ILE 570 11.134 12.316 -1.316 382 HD11 ILE 570 3HD1 ILE 570 6.540 13.177 -0.914 383 HD12 ILE 570 1HD1 ILE 570 7.800 13.049 -2.140 384 HD13 ILE 570 2HD1 ILE 570 7.196 11.597 -1.342 385 H GLN 571 H GLN 571 11.033 16.409 0.407 386 HA GLN 571 HA GLN 571 13.180 16.461 -1.368 387 HB2 GLN 571 1HB GLN 571 12.342 18.440 0.753 388 HB3 GLN 571 2HB GLN 571 13.596 18.766 -0.436 389 HG2 GLN 571 1HG GLN 571 11.950 18.426 -2.231 390 HG3 GLN 571 2HG GLN 571 10.702 18.178 -1.011 391 HE21 GLN 571 2HE2 GLN 571 11.678 20.330 -3.132 392 HE22 GLN 571 1HE2 GLN 571 11.328 21.807 -2.308 393 H ALA 572 H ALA 572 13.094 15.683 1.973 394 HA ALA 572 HA ALA 572 15.599 16.390 2.887 395 HB1 ALA 572 3HB ALA 572 14.197 13.797 3.514 396 HB2 ALA 572 1HB ALA 572 15.388 14.634 4.510 397 HB3 ALA 572 2HB ALA 572 13.798 15.351 4.245 398 H MET 573 H MET 573 14.680 13.721 0.793 399 HA MET 573 HA MET 573 17.527 13.002 0.545 400 HB2 MET 573 1HB MET 573 16.726 10.774 -0.217 401 HB3 MET 573 2HB MET 573 16.273 11.149 1.440 402 HG2 MET 573 1HG MET 573 14.147 12.068 -0.089 403 HG3 MET 573 2HG MET 573 14.612 10.542 -0.836 404 HE1 MET 573 3HE MET 573 11.802 11.238 2.190 405 HE2 MET 573 1HE MET 573 13.216 11.755 3.109 406 HE3 MET 573 2HE MET 573 12.909 12.431 1.510 407 H HIS 574 H HIS 574 14.537 13.677 -1.167 408 HA HIS 574 HA HIS 574 16.106 14.017 -3.632 409 HB2 HIS 574 1HB HIS 574 13.647 12.416 -3.188 410 HB3 HIS 574 2HB HIS 574 13.719 13.357 -4.675 411 HD1 HIS 574 HD1 HIS 574 14.880 10.243 -3.162 412 HD2 HIS 574 HD2 HIS 574 15.991 12.659 -6.355 413 HE1 HIS 574 HE1 HIS 574 16.375 8.817 -4.596 414 HA PRO 575 HA PRO 575 13.819 17.902 -2.569 415 HB2 PRO 575 1HB PRO 575 15.900 19.551 -3.135 416 HB3 PRO 575 2HB PRO 575 15.681 18.787 -1.555 417 HG2 PRO 575 1HG PRO 575 17.461 17.975 -3.821 418 HG3 PRO 575 2HG PRO 575 17.812 18.022 -2.084 419 HD2 PRO 575 1HD PRO 575 17.196 15.728 -3.385 420 HD3 PRO 575 2HD PRO 575 16.755 16.012 -1.689 421 H THR 576 H THR 576 15.209 16.482 -5.298 422 HA THR 576 HA THR 576 14.378 18.655 -7.082 423 HB THR 576 HB THR 576 15.422 17.006 -8.836 424 HG1 THR 576 HG1 THR 576 17.254 15.926 -7.635 425 HG21 THR 576 3HG2 THR 576 17.179 18.470 -6.864 426 HG22 THR 576 1HG2 THR 576 16.316 19.226 -8.202 427 HG23 THR 576 2HG2 THR 576 17.589 18.049 -8.526 428 H LEU 577 H LEU 577 14.002 15.128 -6.736 429 HA LEU 577 HA LEU 577 11.722 15.173 -8.546 430 HB2 LEU 577 1HB LEU 577 13.128 12.913 -7.133 431 HB3 LEU 577 2HB LEU 577 11.752 12.707 -8.216 432 HG LEU 577 HG LEU 577 13.641 12.159 -9.495 433 HD11 LEU 577 1HD1 LEU 577 13.544 14.966 -10.388 434 HD12 LEU 577 2HD1 LEU 577 11.993 14.136 -10.274 435 HD13 LEU 577 3HD1 LEU 577 13.274 13.473 -11.289 436 HD21 LEU 577 3HD2 LEU 577 15.701 12.930 -9.134 437 HD22 LEU 577 1HD2 LEU 577 15.033 13.755 -7.725 438 HD23 LEU 577 2HD2 LEU 577 15.181 14.612 -9.259 439 H ALA 578 H ALA 578 11.926 16.163 -5.590 440 HA ALA 578 HA ALA 578 10.308 14.666 -3.927 441 HB1 ALA 578 3HB ALA 578 10.231 16.491 -2.564 442 HB2 ALA 578 1HB ALA 578 11.568 16.971 -3.609 443 HB3 ALA 578 2HB ALA 578 9.951 17.614 -3.895 444 H GLY 579 H GLY 579 9.266 17.289 -6.116 445 HA2 GLY 579 1HA GLY 579 6.549 17.196 -5.665 446 HA3 GLY 579 2HA GLY 579 7.271 17.616 -7.212 447 H LYS 580 H LYS 580 8.343 15.312 -8.099 448 HA LYS 580 HA LYS 580 6.110 13.903 -9.071 449 HB2 LYS 580 1HB LYS 580 9.072 13.459 -9.164 450 HB3 LYS 580 2HB LYS 580 7.986 12.201 -9.738 451 HG2 LYS 580 1HG LYS 580 7.772 15.016 -10.740 452 HG3 LYS 580 2HG LYS 580 8.918 13.869 -11.439 453 HD2 LYS 580 1HD LYS 580 6.756 12.334 -11.518 454 HD3 LYS 580 2HD LYS 580 5.947 13.903 -11.547 455 HE2 LYS 580 1HE LYS 580 6.344 13.110 -13.808 456 HE3 LYS 580 2HE LYS 580 7.302 14.554 -13.485 457 HZ1 LYS 580 3HZ LYS 580 9.067 13.404 -14.125 458 HZ2 LYS 580 1HZ LYS 580 8.176 11.970 -14.243 459 HZ3 LYS 580 2HZ LYS 580 8.884 12.406 -12.771 460 H ILE 581 H ILE 581 8.558 13.010 -6.652 461 HA ILE 581 HA ILE 581 7.650 10.449 -6.070 462 HB ILE 581 HB ILE 581 8.907 12.440 -4.178 463 HG12 ILE 581 1HG1 ILE 581 10.391 10.164 -5.406 464 HG13 ILE 581 2HG1 ILE 581 10.042 11.558 -6.423 465 HG21 ILE 581 1HG2 ILE 581 7.805 10.637 -2.970 466 HG22 ILE 581 2HG2 ILE 581 8.650 9.444 -3.955 467 HG23 ILE 581 3HG2 ILE 581 9.558 10.483 -2.857 468 HD11 ILE 581 3HD1 ILE 581 11.596 11.528 -3.850 469 HD12 ILE 581 1HD1 ILE 581 12.214 11.822 -5.475 470 HD13 ILE 581 2HD1 ILE 581 11.134 12.993 -4.717 471 H THR 582 H THR 582 6.946 13.410 -4.203 472 HA THR 582 HA THR 582 5.031 12.300 -2.515 473 HB THR 582 HB THR 582 6.098 14.567 -2.261 474 HG1 THR 582 HG1 THR 582 3.366 14.019 -1.923 475 HG21 THR 582 3HG2 THR 582 5.716 15.400 -4.525 476 HG22 THR 582 1HG2 THR 582 4.981 16.472 -3.334 477 HG23 THR 582 2HG2 THR 582 3.974 15.357 -4.258 478 H GLY 583 H GLY 583 4.737 13.539 -5.784 479 HA2 GLY 583 1HA GLY 583 1.941 13.778 -5.912 480 HA3 GLY 583 2HA GLY 583 3.002 13.498 -7.285 481 H MET 584 H MET 584 3.933 11.103 -7.187 482 HA MET 584 HA MET 584 1.747 9.411 -7.707 483 HB2 MET 584 1HB MET 584 4.616 8.625 -7.166 484 HB3 MET 584 2HB MET 584 3.404 7.641 -7.976 485 HG2 MET 584 1HG MET 584 3.372 9.053 -9.861 486 HG3 MET 584 2HG MET 584 4.269 10.316 -9.021 487 HE1 MET 584 3HE MET 584 6.508 9.129 -7.601 488 HE2 MET 584 1HE MET 584 7.826 8.772 -8.718 489 HE3 MET 584 2HE MET 584 6.989 10.321 -8.809 490 H LEU 585 H LEU 585 3.935 9.645 -4.931 491 HA LEU 585 HA LEU 585 2.962 7.428 -3.510 492 HB2 LEU 585 1HB LEU 585 4.496 9.877 -2.838 493 HB3 LEU 585 2HB LEU 585 3.769 8.980 -1.506 494 HG LEU 585 HG LEU 585 5.073 7.052 -1.981 495 HD11 LEU 585 1HD1 LEU 585 5.515 8.401 -4.587 496 HD12 LEU 585 2HD1 LEU 585 5.206 6.703 -4.226 497 HD13 LEU 585 3HD1 LEU 585 6.809 7.385 -3.952 498 HD21 LEU 585 3HD2 LEU 585 6.321 9.643 -1.609 499 HD22 LEU 585 1HD2 LEU 585 7.417 8.476 -2.349 500 HD23 LEU 585 2HD2 LEU 585 6.645 8.105 -0.807 501 H LEU 586 H LEU 586 1.751 10.672 -3.868 502 HA LEU 586 HA LEU 586 -0.107 10.467 -1.672 503 HB2 LEU 586 1HB LEU 586 0.770 12.632 -2.218 504 HB3 LEU 586 2HB LEU 586 0.219 12.484 -3.886 505 HG LEU 586 HG LEU 586 -1.836 12.387 -1.743 506 HD11 LEU 586 1HD1 LEU 586 -1.377 14.373 -0.880 507 HD12 LEU 586 2HD1 LEU 586 -1.506 15.096 -2.482 508 HD13 LEU 586 3HD1 LEU 586 0.052 14.508 -1.904 509 HD21 LEU 586 3HD2 LEU 586 -2.122 14.091 -4.118 510 HD22 LEU 586 1HD2 LEU 586 -3.236 12.915 -3.419 511 HD23 LEU 586 2HD2 LEU 586 -1.915 12.372 -4.453 512 H GLU 587 H GLU 587 -0.049 9.613 -4.994 513 HA GLU 587 HA GLU 587 -2.890 9.665 -5.403 514 HB2 GLU 587 1HB GLU 587 -1.371 9.922 -7.293 515 HB3 GLU 587 2HB GLU 587 -0.683 8.335 -6.982 516 HG2 GLU 587 1HG GLU 587 -2.230 7.371 -8.228 517 HG3 GLU 587 2HG GLU 587 -3.514 8.096 -7.263 518 H ILE 588 H ILE 588 -0.514 7.015 -5.148 519 HA ILE 588 HA ILE 588 -1.980 4.796 -5.232 520 HB ILE 588 HB ILE 588 -0.610 4.150 -2.995 521 HG12 ILE 588 1HG1 ILE 588 1.168 6.222 -4.242 522 HG13 ILE 588 2HG1 ILE 588 0.053 6.675 -2.958 523 HG21 ILE 588 1HG2 ILE 588 0.620 4.484 -5.727 524 HG22 ILE 588 2HG2 ILE 588 1.154 3.379 -4.462 525 HG23 ILE 588 3HG2 ILE 588 -0.413 3.143 -5.234 526 HD11 ILE 588 3HD1 ILE 588 1.092 5.031 -1.483 527 HD12 ILE 588 1HD1 ILE 588 2.215 4.592 -2.769 528 HD13 ILE 588 2HD1 ILE 588 2.259 6.213 -2.075 529 H ASP 589 H ASP 589 -1.579 6.503 -2.122 530 HA ASP 589 HA ASP 589 -4.250 6.631 -1.413 531 HB2 ASP 589 1HB ASP 589 -3.118 3.963 -1.116 532 HB3 ASP 589 2HB ASP 589 -3.741 4.593 0.406 533 H ASN 590 H ASN 590 -4.083 8.312 -0.095 534 HA ASN 590 HA ASN 590 -1.838 9.123 1.300 535 HB2 ASN 590 1HB ASN 590 -4.767 9.686 1.732 536 HB3 ASN 590 2HB ASN 590 -3.523 10.428 2.734 537 HD21 ASN 590 2HD2 ASN 590 -5.417 11.656 0.897 538 HD22 ASN 590 1HD2 ASN 590 -4.471 12.527 -0.257 539 H SER 591 H SER 591 -4.582 7.198 2.463 540 HA SER 591 HA SER 591 -3.951 6.998 5.136 541 HB2 SER 591 1HB SER 591 -5.901 5.949 3.656 542 HB3 SER 591 2HB SER 591 -4.878 4.517 3.764 543 HG SER 591 HG SER 591 -5.346 4.331 5.817 544 H GLU 592 H GLU 592 -2.736 5.012 2.459 545 HA GLU 592 HA GLU 592 -1.200 3.235 3.983 546 HB2 GLU 592 1HB GLU 592 -1.771 2.958 1.569 547 HB3 GLU 592 2HB GLU 592 -0.600 4.212 1.187 548 HG2 GLU 592 1HG GLU 592 0.634 2.324 0.816 549 HG3 GLU 592 2HG GLU 592 1.051 2.676 2.492 550 H LEU 593 H LEU 593 -0.441 6.410 2.649 551 HA LEU 593 HA LEU 593 2.316 6.395 3.240 552 HB2 LEU 593 1HB LEU 593 0.728 8.918 3.302 553 HB3 LEU 593 2HB LEU 593 2.330 8.618 2.631 554 HG LEU 593 HG LEU 593 -0.324 7.856 1.420 555 HD11 LEU 593 1HD1 LEU 593 -0.128 9.659 0.115 556 HD12 LEU 593 2HD1 LEU 593 1.603 9.420 -0.118 557 HD13 LEU 593 3HD1 LEU 593 1.013 10.239 1.328 558 HD21 LEU 593 3HD2 LEU 593 2.375 7.395 0.187 559 HD22 LEU 593 1HD2 LEU 593 0.807 6.767 -0.321 560 HD23 LEU 593 2HD2 LEU 593 1.563 6.162 1.153 561 H LEU 594 H LEU 594 -0.516 7.347 5.105 562 HA LEU 594 HA LEU 594 0.855 8.559 7.252 563 HB2 LEU 594 1HB LEU 594 -1.868 7.509 6.770 564 HB3 LEU 594 2HB LEU 594 -1.371 7.678 8.452 565 HG LEU 594 HG LEU 594 -1.333 9.923 6.439 566 HD11 LEU 594 1HD1 LEU 594 -3.428 9.030 8.388 567 HD12 LEU 594 2HD1 LEU 594 -3.603 9.445 6.684 568 HD13 LEU 594 3HD1 LEU 594 -3.302 10.712 7.873 569 HD21 LEU 594 3HD2 LEU 594 -1.480 10.531 9.287 570 HD22 LEU 594 1HD2 LEU 594 -0.437 11.204 8.035 571 HD23 LEU 594 2HD2 LEU 594 0.000 9.690 8.827 572 H HIS 595 H HIS 595 0.628 5.321 6.289 573 HA HIS 595 HA HIS 595 1.378 4.375 8.974 574 HB2 HIS 595 1HB HIS 595 -0.627 3.400 7.524 575 HB3 HIS 595 2HB HIS 595 0.674 2.462 6.797 576 HD1 HIS 595 HD1 HIS 595 2.285 1.320 8.844 577 HD2 HIS 595 HD2 HIS 595 -1.732 2.077 9.591 578 HE1 HIS 595 HE1 HIS 595 1.673 -0.155 10.786 579 H MET 596 H MET 596 2.509 4.922 5.802 580 HA MET 596 HA MET 596 4.739 3.064 6.057 581 HB2 MET 596 1HB MET 596 3.757 4.859 3.853 582 HB3 MET 596 2HB MET 596 5.350 4.118 3.781 583 HG2 MET 596 1HG MET 596 4.215 1.898 4.080 584 HG3 MET 596 2HG MET 596 2.683 2.741 3.860 585 HE1 MET 596 3HE MET 596 3.443 4.331 0.249 586 HE2 MET 596 1HE MET 596 2.585 4.586 1.769 587 HE3 MET 596 2HE MET 596 4.304 4.961 1.654 588 H LEU 597 H LEU 597 4.062 6.503 6.165 589 HA LEU 597 HA LEU 597 6.728 7.422 6.094 590 HB2 LEU 597 1HB LEU 597 5.877 9.499 6.507 591 HB3 LEU 597 2HB LEU 597 4.442 8.681 5.894 592 HG LEU 597 HG LEU 597 3.716 9.947 7.736 593 HD11 LEU 597 1HD1 LEU 597 3.999 7.546 9.357 594 HD12 LEU 597 2HD1 LEU 597 3.473 7.212 7.707 595 HD13 LEU 597 3HD1 LEU 597 2.549 8.321 8.719 596 HD21 LEU 597 3HD2 LEU 597 5.487 8.813 9.776 597 HD22 LEU 597 1HD2 LEU 597 4.935 10.472 9.543 598 HD23 LEU 597 2HD2 LEU 597 6.294 9.855 8.603 599 H GLU 598 H GLU 598 5.067 5.670 8.439 600 HA GLU 598 HA GLU 598 6.651 6.704 10.664 601 HB2 GLU 598 1HB GLU 598 5.275 5.297 12.081 602 HB3 GLU 598 2HB GLU 598 4.250 6.245 11.013 603 HG2 GLU 598 1HG GLU 598 3.472 4.436 9.924 604 HG3 GLU 598 2HG GLU 598 5.007 3.576 10.028 605 H SER 599 H SER 599 7.925 5.287 8.459 606 HA SER 599 HA SER 599 9.548 3.510 9.994 607 HB2 SER 599 1HB SER 599 7.625 2.018 9.511 608 HB3 SER 599 2HB SER 599 7.884 2.275 7.785 609 HG SER 599 HG SER 599 9.448 0.858 9.634 610 HA PRO 600 HA PRO 600 12.403 4.900 6.942 611 HB2 PRO 600 1HB PRO 600 14.401 3.121 7.405 612 HB3 PRO 600 2HB PRO 600 14.038 4.463 8.497 613 HG2 PRO 600 1HG PRO 600 13.250 1.582 8.708 614 HG3 PRO 600 2HG PRO 600 13.843 2.675 9.972 615 HD2 PRO 600 1HD PRO 600 11.218 2.083 9.672 616 HD3 PRO 600 2HD PRO 600 11.779 3.659 10.265 617 H GLU 601 H GLU 601 12.077 1.352 7.174 618 HA GLU 601 HA GLU 601 12.956 0.774 4.579 619 HB2 GLU 601 1HB GLU 601 10.925 -0.822 6.142 620 HB3 GLU 601 2HB GLU 601 12.013 -1.412 4.894 621 HG2 GLU 601 1HG GLU 601 13.910 -0.722 6.431 622 HG3 GLU 601 2HG GLU 601 12.683 -0.540 7.683 623 H SER 602 H SER 602 10.021 2.134 5.688 624 HA SER 602 HA SER 602 8.547 1.413 3.279 625 HB2 SER 602 1HB SER 602 7.804 2.845 5.824 626 HB3 SER 602 2HB SER 602 6.733 2.836 4.423 627 HG SER 602 HG SER 602 6.857 0.508 4.522 628 H LEU 603 H LEU 603 9.493 4.397 4.984 629 HA LEU 603 HA LEU 603 8.681 6.210 3.034 630 HB2 LEU 603 1HB LEU 603 9.337 6.845 5.302 631 HB3 LEU 603 2HB LEU 603 11.010 6.425 4.938 632 HG LEU 603 HG LEU 603 10.304 8.909 4.933 633 HD11 LEU 603 1HD1 LEU 603 12.337 7.529 3.760 634 HD12 LEU 603 2HD1 LEU 603 12.204 9.286 3.812 635 HD13 LEU 603 3HD1 LEU 603 11.656 8.403 2.388 636 HD21 LEU 603 3HD2 LEU 603 9.308 9.775 2.992 637 HD22 LEU 603 1HD2 LEU 603 8.314 8.386 3.430 638 HD23 LEU 603 2HD2 LEU 603 9.485 8.253 2.118 639 H ARG 604 H ARG 604 11.999 5.016 3.594 640 HA ARG 604 HA ARG 604 13.173 6.146 1.349 641 HB2 ARG 604 1HB ARG 604 13.826 3.652 2.907 642 HB3 ARG 604 2HB ARG 604 14.817 4.193 1.558 643 HG2 ARG 604 1HG ARG 604 15.346 6.239 2.683 644 HG3 ARG 604 2HG ARG 604 14.205 5.872 3.979 645 HD2 ARG 604 1HD ARG 604 16.312 5.325 4.855 646 HD3 ARG 604 2HD ARG 604 15.597 3.781 4.392 647 HE ARG 604 HE ARG 604 17.033 4.516 2.206 648 HH11 ARG 604 1HH1 ARG 604 17.776 4.137 5.586 649 HH12 ARG 604 2HH1 ARG 604 19.426 3.690 5.307 650 HH21 ARG 604 1HH2 ARG 604 19.204 3.929 1.826 651 HH22 ARG 604 2HH2 ARG 604 20.238 3.573 3.168 652 H SER 605 H SER 605 11.558 3.016 1.704 653 HA SER 605 HA SER 605 12.127 1.924 -0.783 654 HB2 SER 605 1HB SER 605 11.082 0.492 0.768 655 HB3 SER 605 2HB SER 605 9.767 1.628 1.065 656 HG SER 605 HG SER 605 9.542 -0.346 -0.457 657 H LYS 606 H LYS 606 9.301 3.882 0.151 658 HA LYS 606 HA LYS 606 8.095 3.984 -2.366 659 HB2 LYS 606 1HB LYS 606 8.032 5.974 -0.092 660 HB3 LYS 606 2HB LYS 606 6.984 6.061 -1.502 661 HG2 LYS 606 1HG LYS 606 7.069 3.848 0.537 662 HG3 LYS 606 2HG LYS 606 5.801 5.060 0.341 663 HD2 LYS 606 1HD LYS 606 6.574 2.942 -1.666 664 HD3 LYS 606 2HD LYS 606 5.125 2.947 -0.658 665 HE2 LYS 606 1HE LYS 606 4.380 5.009 -1.751 666 HE3 LYS 606 2HE LYS 606 5.827 4.996 -2.759 667 HZ1 LYS 606 3HZ LYS 606 3.769 2.856 -2.734 668 HZ2 LYS 606 1HZ LYS 606 5.110 2.950 -3.762 669 HZ3 LYS 606 2HZ LYS 606 3.865 4.087 -3.890 670 H VAL 607 H VAL 607 10.130 6.474 -0.815 671 HA VAL 607 HA VAL 607 10.310 8.254 -2.905 672 HB VAL 607 HB VAL 607 12.491 7.535 -0.942 673 HG11 VAL 607 1HG1 VAL 607 13.795 8.972 -2.017 674 HG12 VAL 607 2HG1 VAL 607 12.517 9.290 -3.192 675 HG13 VAL 607 3HG1 VAL 607 12.615 10.247 -1.713 676 HG21 VAL 607 3HG2 VAL 607 11.456 9.906 -0.121 677 HG22 VAL 607 1HG2 VAL 607 10.018 9.108 -0.757 678 HG23 VAL 607 2HG2 VAL 607 10.968 8.333 0.510 679 H ASP 608 H ASP 608 12.573 5.587 -2.212 680 HA ASP 608 HA ASP 608 14.224 5.914 -4.427 681 HB2 ASP 608 1HB ASP 608 14.860 4.447 -2.616 682 HB3 ASP 608 2HB ASP 608 13.479 3.398 -2.925 683 H GLU 609 H GLU 609 11.325 3.886 -4.075 684 HA GLU 609 HA GLU 609 11.348 2.733 -6.612 685 HB2 GLU 609 1HB GLU 609 9.810 2.338 -4.510 686 HB3 GLU 609 2HB GLU 609 8.752 3.478 -5.329 687 HG2 GLU 609 1HG GLU 609 8.001 1.379 -6.005 688 HG3 GLU 609 2HG GLU 609 8.958 1.969 -7.363 689 H ALA 610 H ALA 610 9.558 5.616 -5.517 690 HA ALA 610 HA ALA 610 8.393 6.347 -7.906 691 HB1 ALA 610 3HB ALA 610 9.070 8.768 -6.751 692 HB2 ALA 610 1HB ALA 610 7.606 7.833 -6.447 693 HB3 ALA 610 2HB ALA 610 9.006 7.649 -5.390 694 H VAL 611 H VAL 611 11.457 7.673 -6.634 695 HA VAL 611 HA VAL 611 12.214 9.147 -8.835 696 HB VAL 611 HB VAL 611 14.111 7.588 -7.077 697 HG11 VAL 611 1HG1 VAL 611 15.772 9.123 -7.699 698 HG12 VAL 611 2HG1 VAL 611 14.954 8.713 -9.208 699 HG13 VAL 611 3HG1 VAL 611 14.600 10.240 -8.398 700 HG21 VAL 611 3HG2 VAL 611 12.253 9.612 -6.366 701 HG22 VAL 611 1HG2 VAL 611 13.487 8.851 -5.362 702 HG23 VAL 611 2HG2 VAL 611 13.873 10.305 -6.283 703 H ALA 612 H ALA 612 12.733 5.704 -8.217 704 HA ALA 612 HA ALA 612 14.385 5.153 -10.414 705 HB1 ALA 612 3HB ALA 612 14.421 3.288 -9.185 706 HB2 ALA 612 1HB ALA 612 12.839 3.619 -8.478 707 HB3 ALA 612 2HB ALA 612 12.955 2.836 -10.055 708 H VAL 613 H VAL 613 10.861 5.183 -10.100 709 HA VAL 613 HA VAL 613 10.278 4.154 -12.661 710 HB VAL 613 HB VAL 613 8.626 5.981 -10.910 711 HG11 VAL 613 1HG1 VAL 613 8.216 5.124 -13.601 712 HG12 VAL 613 2HG1 VAL 613 7.009 4.362 -12.563 713 HG13 VAL 613 3HG1 VAL 613 7.175 6.119 -12.583 714 HG21 VAL 613 3HG2 VAL 613 9.149 3.085 -10.936 715 HG22 VAL 613 1HG2 VAL 613 8.637 4.137 -9.616 716 HG23 VAL 613 2HG2 VAL 613 7.454 3.546 -10.784 717 H LEU 614 H LEU 614 10.646 7.469 -11.462 718 HA LEU 614 HA LEU 614 9.883 8.858 -13.741 719 HB2 LEU 614 1HB LEU 614 12.105 9.621 -11.854 720 HB3 LEU 614 2HB LEU 614 11.186 10.707 -12.895 721 HG LEU 614 HG LEU 614 10.220 9.262 -10.435 722 HD11 LEU 614 1HD1 LEU 614 10.031 12.194 -10.948 723 HD12 LEU 614 2HD1 LEU 614 11.563 11.498 -10.419 724 HD13 LEU 614 3HD1 LEU 614 10.122 11.321 -9.418 725 HD21 LEU 614 3HD2 LEU 614 8.200 9.217 -11.369 726 HD22 LEU 614 1HD2 LEU 614 8.741 10.160 -12.758 727 HD23 LEU 614 2HD2 LEU 614 8.219 10.979 -11.286 728 H GLN 615 H GLN 615 13.027 7.473 -12.897 729 HA GLN 615 HA GLN 615 14.539 8.507 -14.992 730 HB2 GLN 615 1HB GLN 615 14.880 6.573 -12.955 731 HB3 GLN 615 2HB GLN 615 15.343 5.805 -14.468 732 HG2 GLN 615 1HG GLN 615 17.059 7.316 -14.858 733 HG3 GLN 615 2HG GLN 615 16.390 8.511 -13.747 734 HE21 GLN 615 2HE2 GLN 615 18.044 5.430 -13.973 735 HE22 GLN 615 1HE2 GLN 615 18.727 5.465 -12.387 736 H ALA 616 H ALA 616 12.088 6.084 -15.005 737 HA ALA 616 HA ALA 616 12.836 4.697 -17.355 738 HB1 ALA 616 3HB ALA 616 9.961 4.966 -16.680 739 HB2 ALA 616 1HB ALA 616 10.899 3.534 -17.109 740 HB3 ALA 616 2HB ALA 616 11.015 4.211 -15.484 741 H HIS 617 H HIS 617 11.222 7.722 -16.791 742 HA HIS 617 HA HIS 617 10.779 8.000 -19.692 743 HB2 HIS 617 1HB HIS 617 8.770 8.033 -18.001 744 HB3 HIS 617 2HB HIS 617 9.310 9.681 -17.694 745 HD1 HIS 617 HD1 HIS 617 7.104 10.592 -18.731 746 HD2 HIS 617 HD2 HIS 617 9.479 8.426 -21.363 747 HE1 HIS 617 HE1 HIS 617 6.186 11.079 -21.021 748 H GLN 618 H GLN 618 11.023 10.194 -16.890 749 HA GLN 618 HA GLN 618 13.453 11.376 -17.721 750 HB2 GLN 618 1HB GLN 618 12.728 13.477 -18.576 751 HB3 GLN 618 2HB GLN 618 11.876 12.237 -19.488 752 HG2 GLN 618 1HG GLN 618 9.922 12.579 -17.975 753 HG3 GLN 618 2HG GLN 618 10.781 13.948 -17.272 754 HE21 GLN 618 2HE2 GLN 618 9.544 12.662 -20.315 755 HE22 GLN 618 1HE2 GLN 618 9.231 14.196 -21.044 756 H ALA 619 H ALA 619 14.327 12.557 -16.097 757 HA ALA 619 HA ALA 619 12.585 13.129 -13.788 758 HB1 ALA 619 3HB ALA 619 15.059 13.055 -12.697 759 HB2 ALA 619 1HB ALA 619 13.969 11.671 -12.780 760 HB3 ALA 619 2HB ALA 619 15.235 11.872 -13.993 761 H LYS 620 H LYS 620 15.889 14.132 -14.629 762 HA LYS 620 HA LYS 620 15.006 16.933 -14.375 763 HB2 LYS 620 1HB LYS 620 17.483 15.542 -13.419 764 HB3 LYS 620 2HB LYS 620 17.534 17.261 -13.787 765 HG2 LYS 620 1HG LYS 620 15.424 16.185 -11.968 766 HG3 LYS 620 2HG LYS 620 17.058 16.475 -11.366 767 HD2 LYS 620 1HD LYS 620 16.182 18.527 -10.939 768 HD3 LYS 620 2HD LYS 620 16.657 18.800 -12.617 769 HE2 LYS 620 1HE LYS 620 14.489 18.656 -13.392 770 HE3 LYS 620 2HE LYS 620 13.951 17.693 -12.017 771 HZ1 LYS 620 3HZ LYS 620 13.851 19.566 -10.655 772 HZ2 LYS 620 1HZ LYS 620 13.201 20.101 -12.123 773 HZ3 LYS 620 2HZ LYS 620 14.787 20.510 -11.701 774 H GLU 621 H GLU 621 15.105 15.272 -16.790 775 HA GLU 621 HA GLU 621 15.684 15.489 -18.979 776 HB2 GLU 621 1HB GLU 621 15.359 17.993 -18.202 777 HB3 GLU 621 2HB GLU 621 17.098 18.066 -18.449 778 HG2 GLU 621 1HG GLU 621 15.429 16.914 -20.614 779 HG3 GLU 621 2HG GLU 621 15.387 18.658 -20.364 780 H ALA 622 H ALA 622 17.271 13.796 -17.815 781 HA ALA 622 HA ALA 622 19.931 14.430 -18.883 782 HB1 ALA 622 3HB ALA 622 20.740 12.965 -16.846 783 HB2 ALA 622 1HB ALA 622 20.493 14.704 -16.686 784 HB3 ALA 622 2HB ALA 622 19.259 13.580 -16.114 785 H ALA 623 H ALA 623 17.691 11.933 -17.753 786 HA ALA 623 HA ALA 623 19.153 9.772 -18.927 787 HB1 ALA 623 3HB ALA 623 16.450 9.026 -18.551 788 HB2 ALA 623 1HB ALA 623 17.849 8.616 -17.559 789 HB3 ALA 623 2HB ALA 623 16.910 10.066 -17.203 Start of MODEL 7 1 H1 ALA 64 1H ALA 64 -0.243 -0.657 0.281 2 HA ALA 64 HA ALA 64 -0.188 0.761 -2.299 3 HB1 ALA 64 3HB ALA 64 2.252 1.282 -1.695 4 HB2 ALA 64 1HB ALA 64 0.983 2.236 -0.925 5 HB3 ALA 64 2HB ALA 64 1.770 0.931 -0.036 6 H PHE 65 H PHE 65 2.139 0.159 -3.332 7 HA PHE 65 HA PHE 65 2.547 -2.734 -3.055 8 HB2 PHE 65 1HB PHE 65 2.744 -2.786 -5.613 9 HB3 PHE 65 2HB PHE 65 1.124 -2.679 -4.931 10 HD1 PHE 65 HD1 PHE 65 -0.129 -0.575 -5.036 11 HD2 PHE 65 HD2 PHE 65 3.673 -1.007 -6.899 12 HE1 PHE 65 HE1 PHE 65 -0.560 1.444 -6.375 13 HE2 PHE 65 HE2 PHE 65 3.249 1.011 -8.241 14 HZ PHE 65 HZ PHE 65 1.131 2.240 -7.979 15 H SER 66 H SER 66 4.615 -3.092 -2.643 16 HA SER 66 HA SER 66 6.616 -1.091 -3.136 17 HB2 SER 66 1HB SER 66 8.138 -3.020 -2.261 18 HB3 SER 66 2HB SER 66 7.003 -2.255 -1.150 19 HG SER 66 HG SER 66 7.110 -4.693 -1.334 20 H ARG 67 H ARG 67 5.895 -1.351 -5.556 21 HA ARG 67 HA ARG 67 8.070 -2.736 -6.868 22 HB2 ARG 67 1HB ARG 67 5.186 -3.495 -7.302 23 HB3 ARG 67 2HB ARG 67 6.423 -3.793 -8.517 24 HG2 ARG 67 1HG ARG 67 7.683 -5.089 -6.780 25 HG3 ARG 67 2HG ARG 67 6.263 -4.938 -5.742 26 HD2 ARG 67 1HD ARG 67 4.951 -5.940 -7.690 27 HD3 ARG 67 2HD ARG 67 6.520 -6.371 -8.370 28 HE ARG 67 HE ARG 67 6.723 -8.023 -6.787 29 HH11 ARG 67 1HH1 ARG 67 4.090 -5.910 -5.937 30 HH12 ARG 67 2HH1 ARG 67 3.508 -6.933 -4.665 31 HH21 ARG 67 1HH2 ARG 67 5.966 -9.378 -5.115 32 HH22 ARG 67 2HH2 ARG 67 4.576 -8.905 -4.198 33 H GLN 68 H GLN 68 7.522 -2.484 -9.439 34 HA GLN 68 HA GLN 68 7.908 0.172 -10.050 35 HB2 GLN 68 1HB GLN 68 8.368 -1.673 -11.607 36 HB3 GLN 68 2HB GLN 68 6.641 -1.933 -11.812 37 HG2 GLN 68 1HG GLN 68 6.365 0.122 -12.937 38 HG3 GLN 68 2HG GLN 68 7.975 0.673 -12.473 39 HE21 GLN 68 2HE2 GLN 68 9.457 0.540 -13.987 40 HE22 GLN 68 1HE2 GLN 68 9.452 -0.544 -15.331 41 H LEU 69 H LEU 69 6.657 1.920 -10.213 42 HA LEU 69 HA LEU 69 3.739 1.540 -10.100 43 HB2 LEU 69 1HB LEU 69 3.718 3.861 -9.140 44 HB3 LEU 69 2HB LEU 69 4.432 2.614 -8.120 45 HG LEU 69 HG LEU 69 6.688 3.443 -9.024 46 HD11 LEU 69 1HD1 LEU 69 4.877 5.698 -9.850 47 HD12 LEU 69 2HD1 LEU 69 5.998 4.782 -10.855 48 HD13 LEU 69 3HD1 LEU 69 6.616 5.882 -9.623 49 HD21 LEU 69 3HD2 LEU 69 6.582 4.009 -6.856 50 HD22 LEU 69 1HD2 LEU 69 4.916 4.575 -6.981 51 HD23 LEU 69 2HD2 LEU 69 6.244 5.629 -7.468 52 H ASN 70 H ASN 70 2.726 3.861 -10.819 53 HA ASN 70 HA ASN 70 3.609 4.164 -13.596 54 HB2 ASN 70 1HB ASN 70 1.403 5.042 -14.057 55 HB3 ASN 70 2HB ASN 70 1.236 3.542 -13.150 56 HD21 ASN 70 2HD2 ASN 70 -0.621 5.763 -13.437 57 HD22 ASN 70 1HD2 ASN 70 -0.951 6.323 -11.836 58 H VAL 71 H VAL 71 4.367 6.042 -14.395 59 HA VAL 71 HA VAL 71 4.918 8.182 -12.508 60 HB VAL 71 HB VAL 71 6.699 7.382 -14.025 61 HG11 VAL 71 1HG1 VAL 71 5.839 8.784 -16.391 62 HG12 VAL 71 2HG1 VAL 71 6.392 7.117 -16.212 63 HG13 VAL 71 3HG1 VAL 71 4.692 7.515 -15.962 64 HG21 VAL 71 3HG2 VAL 71 7.654 9.431 -14.148 65 HG22 VAL 71 1HG2 VAL 71 6.259 10.153 -14.951 66 HG23 VAL 71 2HG2 VAL 71 6.237 9.896 -13.206 67 H ASN 72 H ASN 72 2.681 7.459 -14.998 68 HA ASN 72 HA ASN 72 2.077 10.113 -15.821 69 HB2 ASN 72 1HB ASN 72 0.875 7.423 -16.188 70 HB3 ASN 72 2HB ASN 72 -0.200 8.802 -16.398 71 HD21 ASN 72 2HD2 ASN 72 3.020 7.669 -17.351 72 HD22 ASN 72 1HD2 ASN 72 2.946 8.283 -18.965 73 H ALA 73 H ALA 73 1.303 8.274 -13.042 74 HA ALA 73 HA ALA 73 -1.176 9.203 -12.271 75 HB1 ALA 73 3HB ALA 73 -0.726 8.273 -10.266 76 HB2 ALA 73 1HB ALA 73 0.678 7.629 -11.118 77 HB3 ALA 73 2HB ALA 73 0.838 9.076 -10.122 78 H LYS 74 H LYS 74 -1.932 11.195 -12.067 79 HA LYS 74 HA LYS 74 -0.486 13.539 -12.199 80 HB2 LYS 74 1HB LYS 74 -2.514 14.612 -11.142 81 HB3 LYS 74 2HB LYS 74 -2.834 13.626 -12.562 82 HG2 LYS 74 1HG LYS 74 -3.004 12.111 -10.088 83 HG3 LYS 74 2HG LYS 74 -4.132 13.468 -10.144 84 HD2 LYS 74 1HD LYS 74 -3.839 11.437 -12.353 85 HD3 LYS 74 2HD LYS 74 -5.030 11.312 -11.056 86 HE2 LYS 74 1HE LYS 74 -5.550 13.803 -11.862 87 HE3 LYS 74 2HE LYS 74 -4.920 13.155 -13.375 88 HZ1 LYS 74 3HZ LYS 74 -7.016 11.737 -11.850 89 HZ2 LYS 74 1HZ LYS 74 -6.604 11.572 -13.483 90 HZ3 LYS 74 2HZ LYS 74 -7.406 12.962 -12.950 91 HA PRO 75 HA PRO 75 1.386 14.230 -8.290 92 HB2 PRO 75 1HB PRO 75 1.185 16.928 -8.063 93 HB3 PRO 75 2HB PRO 75 2.295 16.139 -9.190 94 HG2 PRO 75 1HG PRO 75 -0.400 17.334 -9.710 95 HG3 PRO 75 2HG PRO 75 1.084 17.461 -10.671 96 HD2 PRO 75 1HD PRO 75 -0.924 15.760 -11.310 97 HD3 PRO 75 2HD PRO 75 0.781 15.393 -11.644 98 H PHE 76 H PHE 76 -0.682 16.999 -7.957 99 HA PHE 76 HA PHE 76 -2.749 15.822 -6.435 100 HB2 PHE 76 1HB PHE 76 -2.126 16.484 -4.196 101 HB3 PHE 76 2HB PHE 76 -0.856 15.459 -4.855 102 HD1 PHE 76 HD2 PHE 76 1.105 16.755 -6.033 103 HD2 PHE 76 HD1 PHE 76 -1.536 18.442 -3.153 104 HE1 PHE 76 HE2 PHE 76 2.771 18.495 -5.529 105 HE2 PHE 76 HE1 PHE 76 0.125 20.185 -2.645 106 HZ PHE 76 HZ PHE 76 2.282 20.212 -3.833 107 H VAL 77 H VAL 77 -3.485 17.804 -4.744 108 HA VAL 77 HA VAL 77 -3.812 20.102 -6.556 109 HB VAL 77 HB VAL 77 -5.934 19.094 -6.127 110 HG11 VAL 77 1HG1 VAL 77 -4.842 18.758 -3.436 111 HG12 VAL 77 2HG1 VAL 77 -6.527 19.283 -3.464 112 HG13 VAL 77 3HG1 VAL 77 -6.049 17.805 -4.299 113 HG21 VAL 77 3HG2 VAL 77 -6.996 21.032 -5.763 114 HG22 VAL 77 1HG2 VAL 77 -6.285 21.226 -4.161 115 HG23 VAL 77 2HG2 VAL 77 -5.383 21.724 -5.592 116 HA PRO 78 HA PRO 78 -1.250 21.763 -3.114 117 HB2 PRO 78 1HB PRO 78 0.121 23.495 -4.692 118 HB3 PRO 78 2HB PRO 78 0.586 21.801 -4.493 119 HG2 PRO 78 1HG PRO 78 -0.946 23.096 -6.715 120 HG3 PRO 78 2HG PRO 78 0.349 21.887 -6.805 121 HD2 PRO 78 1HD PRO 78 -2.269 21.239 -7.049 122 HD3 PRO 78 2HD PRO 78 -1.077 20.141 -6.324 123 H ASN 79 H ASN 79 -0.790 24.212 -2.691 124 HA ASN 79 HA ASN 79 -3.283 25.683 -3.235 125 HB2 ASN 79 1HB ASN 79 -1.540 25.506 -0.803 126 HB3 ASN 79 2HB ASN 79 -2.492 26.962 -1.082 127 HD21 ASN 79 2HD2 ASN 79 -4.838 26.345 -1.824 128 HD22 ASN 79 1HD2 ASN 79 -5.626 25.202 -0.796 129 H VAL 80 H VAL 80 -0.765 25.613 -4.816 130 HA VAL 80 HA VAL 80 0.242 28.338 -4.473 131 HB VAL 80 HB VAL 80 1.190 26.170 -6.352 132 HG11 VAL 80 1HG1 VAL 80 1.794 28.993 -6.131 133 HG12 VAL 80 2HG1 VAL 80 3.234 27.993 -5.929 134 HG13 VAL 80 3HG1 VAL 80 2.247 27.837 -7.383 135 HG21 VAL 80 3HG2 VAL 80 1.977 26.947 -3.578 136 HG22 VAL 80 1HG2 VAL 80 1.779 25.342 -4.283 137 HG23 VAL 80 2HG2 VAL 80 3.196 26.314 -4.684 138 H HIS 81 H HIS 81 -0.679 29.932 -5.565 139 HA HIS 81 HA HIS 81 -1.863 29.337 -8.198 140 HB2 HIS 81 1HB HIS 81 -3.515 31.092 -7.774 141 HB3 HIS 81 2HB HIS 81 -3.589 29.854 -6.524 142 HD1 HIS 81 HD1 HIS 81 -2.137 30.550 -4.268 143 HD2 HIS 81 HD2 HIS 81 -3.411 33.604 -6.782 144 HE1 HIS 81 HE1 HIS 81 -2.038 32.647 -2.883 145 H ALA 82 H ALA 82 0.865 30.226 -7.490 146 HA ALA 82 HA ALA 82 0.903 32.635 -9.167 147 HB1 ALA 82 3HB ALA 82 1.743 33.934 -7.577 148 HB2 ALA 82 1HB ALA 82 1.491 32.628 -6.419 149 HB3 ALA 82 2HB ALA 82 3.035 32.776 -7.260 150 H1 GLY 541 1H GLY 541 11.268 18.230 8.253 151 HA2 GLY 541 1HA GLY 541 11.824 20.201 10.320 152 HA3 GLY 541 2HA GLY 541 10.327 20.032 9.415 153 H GLN 542 H GLN 542 10.619 20.395 12.259 154 HA GLN 542 HA GLN 542 9.856 17.798 13.364 155 HB2 GLN 542 1HB GLN 542 9.966 18.973 15.555 156 HB3 GLN 542 2HB GLN 542 11.481 19.010 14.663 157 HG2 GLN 542 1HG GLN 542 11.348 21.258 14.250 158 HG3 GLN 542 2HG GLN 542 9.589 21.287 14.373 159 HE21 GLN 542 2HE2 GLN 542 11.097 23.184 15.626 160 HE22 GLN 542 1HE2 GLN 542 11.019 22.960 17.337 161 H GLU 543 H GLU 543 7.907 18.273 11.785 162 HA GLU 543 HA GLU 543 5.691 18.975 13.509 163 HB2 GLU 543 1HB GLU 543 6.429 21.117 12.379 164 HB3 GLU 543 2HB GLU 543 5.960 20.382 10.853 165 HG2 GLU 543 1HG GLU 543 4.055 21.517 11.318 166 HG3 GLU 543 2HG GLU 543 3.688 20.000 12.136 167 HA PRO 544 HA PRO 544 4.997 15.446 10.555 168 HB2 PRO 544 1HB PRO 544 4.169 13.698 12.460 169 HB3 PRO 544 2HB PRO 544 5.870 13.918 12.031 170 HG2 PRO 544 1HG PRO 544 4.332 15.063 14.330 171 HG3 PRO 544 2HG PRO 544 5.964 14.370 14.311 172 HD2 PRO 544 1HD PRO 544 5.515 17.041 14.295 173 HD3 PRO 544 2HD PRO 544 6.911 16.302 13.483 174 H LEU 545 H LEU 545 2.969 14.349 10.085 175 HA LEU 545 HA LEU 545 0.686 16.032 10.744 176 HB2 LEU 545 1HB LEU 545 1.306 14.020 8.640 177 HB3 LEU 545 2HB LEU 545 -0.382 14.331 9.037 178 HG LEU 545 HG LEU 545 1.521 16.521 8.241 179 HD11 LEU 545 1HD1 LEU 545 1.579 15.161 6.349 180 HD12 LEU 545 2HD1 LEU 545 0.286 16.310 6.004 181 HD13 LEU 545 3HD1 LEU 545 -0.107 14.673 6.531 182 HD21 LEU 545 3HD2 LEU 545 -1.327 16.304 8.912 183 HD22 LEU 545 1HD2 LEU 545 -0.980 17.226 7.449 184 HD23 LEU 545 2HD2 LEU 545 -0.243 17.695 8.981 185 H THR 546 H THR 546 -1.476 14.664 10.808 186 HA THR 546 HA THR 546 -1.159 12.281 12.471 187 HB THR 546 HB THR 546 -3.133 14.315 13.415 188 HG1 THR 546 HG1 THR 546 -1.627 15.515 14.378 189 HG21 THR 546 3HG2 THR 546 -3.229 12.173 14.464 190 HG22 THR 546 1HG2 THR 546 -2.481 13.280 15.614 191 HG23 THR 546 2HG2 THR 546 -1.483 12.145 14.705 192 H ALA 547 H ALA 547 -2.811 10.822 12.290 193 HA ALA 547 HA ALA 547 -4.407 10.834 10.010 194 HB1 ALA 547 3HB ALA 547 -3.869 8.770 11.099 195 HB2 ALA 547 1HB ALA 547 -4.709 9.269 12.568 196 HB3 ALA 547 2HB ALA 547 -5.623 8.949 11.094 197 H SER 548 H SER 548 -4.953 12.239 13.124 198 HA SER 548 HA SER 548 -7.770 12.406 13.054 199 HB2 SER 548 1HB SER 548 -6.319 12.772 15.080 200 HB3 SER 548 2HB SER 548 -5.888 14.347 14.413 201 HG SER 548 HG SER 548 -8.405 13.434 15.311 202 H MET 549 H MET 549 -5.226 14.632 11.986 203 HA MET 549 HA MET 549 -6.765 16.817 11.286 204 HB2 MET 549 1HB MET 549 -4.205 15.691 10.209 205 HB3 MET 549 2HB MET 549 -4.947 17.079 9.424 206 HG2 MET 549 1HG MET 549 -4.731 18.411 11.359 207 HG3 MET 549 2HG MET 549 -4.333 17.017 12.360 208 HE1 MET 549 3HE MET 549 -3.006 18.875 9.049 209 HE2 MET 549 1HE MET 549 -3.116 19.943 10.449 210 HE3 MET 549 2HE MET 549 -1.538 19.516 9.788 211 H LEU 550 H LEU 550 -6.006 13.946 9.342 212 HA LEU 550 HA LEU 550 -7.623 14.859 7.133 213 HB2 LEU 550 1HB LEU 550 -5.901 12.514 7.712 214 HB3 LEU 550 2HB LEU 550 -7.167 12.314 6.501 215 HG LEU 550 HG LEU 550 -6.133 14.441 5.432 216 HD11 LEU 550 1HD1 LEU 550 -4.644 15.102 7.169 217 HD12 LEU 550 2HD1 LEU 550 -3.664 14.531 5.818 218 HD13 LEU 550 3HD1 LEU 550 -3.907 13.500 7.228 219 HD21 LEU 550 3HD2 LEU 550 -4.389 12.018 5.263 220 HD22 LEU 550 1HD2 LEU 550 -4.934 13.098 3.980 221 HD23 LEU 550 2HD2 LEU 550 -6.062 11.953 4.706 222 H ALA 551 H ALA 551 -8.058 12.962 9.977 223 HA ALA 551 HA ALA 551 -10.257 11.391 9.168 224 HB1 ALA 551 3HB ALA 551 -9.522 12.383 11.920 225 HB2 ALA 551 1HB ALA 551 -10.689 11.108 11.567 226 HB3 ALA 551 2HB ALA 551 -8.985 10.878 11.173 227 H SER 552 H SER 552 -10.077 14.553 10.779 228 HA SER 552 HA SER 552 -12.971 14.862 10.504 229 HB2 SER 552 1HB SER 552 -12.870 16.483 12.156 230 HB3 SER 552 2HB SER 552 -11.515 15.453 12.620 231 HG SER 552 HG SER 552 -10.631 17.423 12.597 232 H ALA 553 H ALA 553 -11.102 14.947 8.213 233 HA ALA 553 HA ALA 553 -11.798 17.639 7.241 234 HB1 ALA 553 3HB ALA 553 -9.198 16.228 7.172 235 HB2 ALA 553 1HB ALA 553 -9.655 17.136 5.731 236 HB3 ALA 553 2HB ALA 553 -9.554 17.951 7.292 237 HA PRO 554 HA PRO 554 -13.698 15.762 3.760 238 HB2 PRO 554 1HB PRO 554 -13.019 17.443 1.739 239 HB3 PRO 554 2HB PRO 554 -14.181 17.875 3.000 240 HG2 PRO 554 1HG PRO 554 -11.284 18.595 2.765 241 HG3 PRO 554 2HG PRO 554 -12.656 19.614 3.240 242 HD2 PRO 554 1HD PRO 554 -10.957 18.524 5.045 243 HD3 PRO 554 2HD PRO 554 -12.674 18.802 5.397 244 HA PRO 555 HA PRO 555 -10.980 13.198 1.441 245 HB2 PRO 555 1HB PRO 555 -12.234 13.004 -0.959 246 HB3 PRO 555 2HB PRO 555 -12.837 12.220 0.506 247 HG2 PRO 555 1HG PRO 555 -13.710 14.786 -0.766 248 HG3 PRO 555 2HG PRO 555 -14.699 13.488 -0.071 249 HD2 PRO 555 1HD PRO 555 -14.157 15.781 1.263 250 HD3 PRO 555 2HD PRO 555 -14.371 14.224 2.089 251 H GLN 556 H GLN 556 -11.497 16.417 0.517 252 HA GLN 556 HA GLN 556 -9.571 16.303 -1.680 253 HB2 GLN 556 1HB GLN 556 -11.235 18.608 -0.651 254 HB3 GLN 556 2HB GLN 556 -10.184 18.661 -2.060 255 HG2 GLN 556 1HG GLN 556 -11.554 17.077 -3.220 256 HG3 GLN 556 2HG GLN 556 -12.536 16.808 -1.781 257 HE21 GLN 556 2HE2 GLN 556 -14.193 17.342 -3.483 258 HE22 GLN 556 1HE2 GLN 556 -14.642 19.003 -3.639 259 H GLU 557 H GLU 557 -10.042 17.859 1.470 260 HA GLU 557 HA GLU 557 -7.657 19.336 1.504 261 HB2 GLU 557 1HB GLU 557 -9.490 18.295 3.637 262 HB3 GLU 557 2HB GLU 557 -7.974 19.066 4.081 263 HG2 GLU 557 1HG GLU 557 -9.871 20.432 2.223 264 HG3 GLU 557 2HG GLU 557 -10.137 20.473 3.965 265 H GLN 558 H GLN 558 -8.284 15.975 2.019 266 HA GLN 558 HA GLN 558 -6.119 15.214 3.581 267 HB2 GLN 558 1HB GLN 558 -7.363 13.683 1.291 268 HB3 GLN 558 2HB GLN 558 -6.360 12.994 2.560 269 HG2 GLN 558 1HG GLN 558 -8.306 14.260 3.995 270 HG3 GLN 558 2HG GLN 558 -9.189 13.701 2.576 271 HE21 GLN 558 2HE2 GLN 558 -9.422 12.819 5.322 272 HE22 GLN 558 1HE2 GLN 558 -9.074 11.127 5.325 273 H LYS 559 H LYS 559 -6.226 14.696 0.060 274 HA LYS 559 HA LYS 559 -3.524 14.278 -0.316 275 HB2 LYS 559 1HB LYS 559 -3.927 14.984 -2.683 276 HB3 LYS 559 2HB LYS 559 -5.071 13.791 -2.082 277 HG2 LYS 559 1HG LYS 559 -6.645 15.693 -1.611 278 HG3 LYS 559 2HG LYS 559 -5.524 16.734 -2.492 279 HD2 LYS 559 1HD LYS 559 -6.896 14.281 -3.592 280 HD3 LYS 559 2HD LYS 559 -7.343 15.954 -3.932 281 HE2 LYS 559 1HE LYS 559 -4.827 16.134 -4.667 282 HE3 LYS 559 2HE LYS 559 -4.979 14.387 -4.854 283 HZ1 LYS 559 3HZ LYS 559 -6.417 16.527 -6.290 284 HZ2 LYS 559 1HZ LYS 559 -7.056 14.963 -6.205 285 HZ3 LYS 559 2HZ LYS 559 -5.547 15.221 -6.924 286 H GLN 560 H GLN 560 -5.271 17.297 -0.023 287 HA GLN 560 HA GLN 560 -3.258 19.022 -0.979 288 HB2 GLN 560 1HB GLN 560 -5.466 19.519 1.024 289 HB3 GLN 560 2HB GLN 560 -4.468 20.778 0.309 290 HG2 GLN 560 1HG GLN 560 -5.405 20.498 -1.799 291 HG3 GLN 560 2HG GLN 560 -6.034 18.897 -1.411 292 HE21 GLN 560 2HE2 GLN 560 -8.096 19.506 -2.109 293 HE22 GLN 560 1HE2 GLN 560 -9.113 20.527 -1.156 294 H MET 561 H MET 561 -4.254 18.679 2.427 295 HA MET 561 HA MET 561 -1.978 19.838 3.524 296 HB2 MET 561 1HB MET 561 -3.690 17.689 4.784 297 HB3 MET 561 2HB MET 561 -2.652 18.827 5.633 298 HG2 MET 561 1HG MET 561 -4.043 20.666 5.000 299 HG3 MET 561 2HG MET 561 -5.008 19.633 3.948 300 HE1 MET 561 3HE MET 561 -5.658 17.360 4.880 301 HE2 MET 561 1HE MET 561 -6.113 17.015 6.549 302 HE3 MET 561 2HE MET 561 -7.250 17.831 5.476 303 H LEU 562 H LEU 562 -2.717 16.362 3.215 304 HA LEU 562 HA LEU 562 -0.361 15.332 4.210 305 HB2 LEU 562 1HB LEU 562 -2.305 13.974 3.633 306 HB3 LEU 562 2HB LEU 562 -2.013 14.273 1.921 307 HG LEU 562 HG LEU 562 0.173 12.999 3.469 308 HD11 LEU 562 1HD1 LEU 562 -1.164 11.409 4.290 309 HD12 LEU 562 2HD1 LEU 562 -1.267 10.831 2.628 310 HD13 LEU 562 3HD1 LEU 562 -2.521 11.892 3.272 311 HD21 LEU 562 3HD2 LEU 562 0.917 12.634 1.411 312 HD22 LEU 562 1HD2 LEU 562 -0.492 13.479 0.770 313 HD23 LEU 562 2HD2 LEU 562 -0.547 11.733 1.012 314 H GLY 563 H GLY 563 -1.075 15.842 0.745 315 HA2 GLY 563 1HA GLY 563 1.472 15.292 -0.225 316 HA3 GLY 563 2HA GLY 563 0.306 16.339 -1.019 317 H GLU 564 H GLU 564 0.129 18.393 0.855 318 HA GLU 564 HA GLU 564 2.253 20.034 0.121 319 HB2 GLU 564 1HB GLU 564 0.207 20.204 2.316 320 HB3 GLU 564 2HB GLU 564 1.458 21.429 2.155 321 HG2 GLU 564 1HG GLU 564 0.561 22.304 0.269 322 HG3 GLU 564 2HG GLU 564 -0.087 20.758 -0.275 323 H ARG 565 H ARG 565 1.700 18.336 3.198 324 HA ARG 565 HA ARG 565 4.167 19.188 4.348 325 HB2 ARG 565 1HB ARG 565 2.002 17.282 5.091 326 HB3 ARG 565 2HB ARG 565 3.563 17.095 5.878 327 HG2 ARG 565 1HG ARG 565 2.730 18.551 7.358 328 HG3 ARG 565 2HG ARG 565 3.170 19.760 6.150 329 HD2 ARG 565 1HD ARG 565 0.885 19.547 5.193 330 HD3 ARG 565 2HD ARG 565 0.473 18.465 6.523 331 HE ARG 565 HE ARG 565 0.227 20.294 7.864 332 HH11 ARG 565 1HH1 ARG 565 2.135 21.190 5.094 333 HH12 ARG 565 2HH1 ARG 565 2.173 22.874 5.501 334 HH21 ARG 565 1HH2 ARG 565 0.270 22.508 8.411 335 HH22 ARG 565 2HH2 ARG 565 1.113 23.622 7.389 336 H LEU 566 H LEU 566 3.207 16.569 2.299 337 HA LEU 566 HA LEU 566 5.452 14.882 2.859 338 HB2 LEU 566 1HB LEU 566 3.079 14.803 1.216 339 HB3 LEU 566 2HB LEU 566 4.489 14.241 0.319 340 HG LEU 566 HG LEU 566 4.904 12.663 2.277 341 HD11 LEU 566 1HD1 LEU 566 3.479 13.716 3.918 342 HD12 LEU 566 2HD1 LEU 566 2.899 12.084 3.587 343 HD13 LEU 566 3HD1 LEU 566 2.066 13.474 2.890 344 HD21 LEU 566 3HD2 LEU 566 2.573 11.443 1.395 345 HD22 LEU 566 1HD2 LEU 566 4.176 11.305 0.673 346 HD23 LEU 566 2HD2 LEU 566 3.039 12.511 0.070 347 H PHE 567 H PHE 567 4.808 17.537 0.720 348 HA PHE 567 HA PHE 567 6.626 17.195 -1.306 349 HB2 PHE 567 1HB PHE 567 5.075 19.302 -0.343 350 HB3 PHE 567 2HB PHE 567 6.723 19.919 -0.302 351 HD1 PHE 567 HD1 PHE 567 7.878 18.525 -2.644 352 HD2 PHE 567 HD2 PHE 567 4.114 20.443 -2.126 353 HE1 PHE 567 HE1 PHE 567 7.774 18.965 -5.063 354 HE2 PHE 567 HE2 PHE 567 4.003 20.886 -4.544 355 HZ PHE 567 HZ PHE 567 5.834 20.147 -6.016 356 HA PRO 568 HA PRO 568 10.119 19.145 1.406 357 HB2 PRO 568 1HB PRO 568 9.619 19.432 4.058 358 HB3 PRO 568 2HB PRO 568 9.248 20.686 2.869 359 HG2 PRO 568 1HG PRO 568 7.428 18.665 4.120 360 HG3 PRO 568 2HG PRO 568 7.144 20.389 3.813 361 HD2 PRO 568 1HD PRO 568 6.162 18.442 2.208 362 HD3 PRO 568 2HD PRO 568 6.636 20.039 1.593 363 H LEU 569 H LEU 569 8.057 16.801 3.084 364 HA LEU 569 HA LEU 569 9.945 15.456 4.582 365 HB2 LEU 569 1HB LEU 569 7.379 15.137 4.368 366 HB3 LEU 569 2HB LEU 569 7.800 13.962 3.125 367 HG LEU 569 HG LEU 569 7.358 12.921 5.309 368 HD11 LEU 569 1HD1 LEU 569 9.191 12.202 3.546 369 HD12 LEU 569 2HD1 LEU 569 8.989 11.348 5.075 370 HD13 LEU 569 3HD1 LEU 569 10.274 12.542 4.896 371 HD21 LEU 569 3HD2 LEU 569 8.414 14.987 6.509 372 HD22 LEU 569 1HD2 LEU 569 9.908 14.062 6.358 373 HD23 LEU 569 2HD2 LEU 569 8.535 13.382 7.232 374 H ILE 570 H ILE 570 9.058 14.942 1.188 375 HA ILE 570 HA ILE 570 10.913 12.790 0.822 376 HB ILE 570 HB ILE 570 9.311 14.449 -1.115 377 HG12 ILE 570 1HG1 ILE 570 9.069 11.496 -0.850 378 HG13 ILE 570 2HG1 ILE 570 8.464 12.473 0.483 379 HG21 ILE 570 1HG2 ILE 570 11.126 13.949 -2.451 380 HG22 ILE 570 2HG2 ILE 570 11.435 12.416 -1.638 381 HG23 ILE 570 3HG2 ILE 570 10.068 12.568 -2.741 382 HD11 ILE 570 3HD1 ILE 570 6.962 11.767 -1.589 383 HD12 ILE 570 1HD1 ILE 570 6.735 13.286 -0.723 384 HD13 ILE 570 2HD1 ILE 570 7.634 13.262 -2.240 385 H GLN 571 H GLN 571 10.963 16.261 0.339 386 HA GLN 571 HA GLN 571 13.219 16.478 -1.290 387 HB2 GLN 571 1HB GLN 571 12.102 18.332 0.812 388 HB3 GLN 571 2HB GLN 571 13.456 18.765 -0.223 389 HG2 GLN 571 1HG GLN 571 12.141 18.803 -2.139 390 HG3 GLN 571 2HG GLN 571 10.859 17.852 -1.391 391 HE21 GLN 571 2HE2 GLN 571 12.599 20.816 -0.502 392 HE22 GLN 571 1HE2 GLN 571 11.184 21.774 -0.248 393 H ALA 572 H ALA 572 12.940 15.532 1.985 394 HA ALA 572 HA ALA 572 15.380 16.340 3.062 395 HB1 ALA 572 3HB ALA 572 14.447 13.650 3.825 396 HB2 ALA 572 1HB ALA 572 14.840 15.046 4.829 397 HB3 ALA 572 2HB ALA 572 13.278 14.957 4.014 398 H MET 573 H MET 573 14.671 13.920 0.698 399 HA MET 573 HA MET 573 17.513 13.155 0.676 400 HB2 MET 573 1HB MET 573 16.534 10.918 -0.293 401 HB3 MET 573 2HB MET 573 16.621 11.176 1.445 402 HG2 MET 573 1HG MET 573 14.138 12.073 0.151 403 HG3 MET 573 2HG MET 573 14.422 10.334 0.145 404 HE1 MET 573 3HE MET 573 12.265 9.666 2.126 405 HE2 MET 573 1HE MET 573 11.785 11.168 2.917 406 HE3 MET 573 2HE MET 573 12.032 11.131 1.171 407 H HIS 574 H HIS 574 14.531 13.578 -1.156 408 HA HIS 574 HA HIS 574 16.164 13.943 -3.580 409 HB2 HIS 574 1HB HIS 574 13.558 12.482 -3.239 410 HB3 HIS 574 2HB HIS 574 14.023 13.150 -4.800 411 HD1 HIS 574 HD1 HIS 574 15.118 10.575 -2.272 412 HD2 HIS 574 HD2 HIS 574 15.869 11.672 -6.208 413 HE1 HIS 574 HE1 HIS 574 16.534 8.728 -3.226 414 HA PRO 575 HA PRO 575 13.742 17.794 -2.656 415 HB2 PRO 575 1HB PRO 575 15.815 19.487 -3.113 416 HB3 PRO 575 2HB PRO 575 15.520 18.732 -1.542 417 HG2 PRO 575 1HG PRO 575 17.450 17.943 -3.690 418 HG3 PRO 575 2HG PRO 575 17.696 18.012 -1.935 419 HD2 PRO 575 1HD PRO 575 17.212 15.694 -3.248 420 HD3 PRO 575 2HD PRO 575 16.664 15.981 -1.584 421 H THR 576 H THR 576 15.324 16.384 -5.283 422 HA THR 576 HA THR 576 14.664 18.533 -7.145 423 HB THR 576 HB THR 576 15.674 16.898 -8.846 424 HG1 THR 576 HG1 THR 576 17.061 15.322 -7.847 425 HG21 THR 576 3HG2 THR 576 16.793 18.907 -7.708 426 HG22 THR 576 1HG2 THR 576 17.845 17.692 -8.435 427 HG23 THR 576 2HG2 THR 576 17.600 17.716 -6.688 428 H LEU 577 H LEU 577 14.035 15.035 -6.834 429 HA LEU 577 HA LEU 577 11.769 15.284 -8.653 430 HB2 LEU 577 1HB LEU 577 13.017 12.873 -7.344 431 HB3 LEU 577 2HB LEU 577 11.671 12.820 -8.481 432 HG LEU 577 HG LEU 577 13.546 12.233 -9.747 433 HD11 LEU 577 1HD1 LEU 577 13.835 14.057 -11.323 434 HD12 LEU 577 2HD1 LEU 577 13.184 15.199 -10.149 435 HD13 LEU 577 3HD1 LEU 577 12.150 13.938 -10.819 436 HD21 LEU 577 3HD2 LEU 577 14.990 13.598 -7.816 437 HD22 LEU 577 1HD2 LEU 577 15.282 14.508 -9.298 438 HD23 LEU 577 2HD2 LEU 577 15.643 12.783 -9.238 439 H ALA 578 H ALA 578 11.915 16.263 -5.763 440 HA ALA 578 HA ALA 578 10.317 14.768 -4.070 441 HB1 ALA 578 3HB ALA 578 10.045 16.695 -2.786 442 HB2 ALA 578 1HB ALA 578 11.570 16.966 -3.631 443 HB3 ALA 578 2HB ALA 578 10.096 17.755 -4.194 444 H GLY 579 H GLY 579 9.270 17.308 -6.349 445 HA2 GLY 579 1HA GLY 579 6.544 17.201 -5.884 446 HA3 GLY 579 2HA GLY 579 7.268 17.622 -7.429 447 H LYS 580 H LYS 580 8.372 15.335 -8.307 448 HA LYS 580 HA LYS 580 6.168 13.886 -9.279 449 HB2 LYS 580 1HB LYS 580 9.086 13.093 -9.235 450 HB3 LYS 580 2HB LYS 580 7.841 12.350 -10.230 451 HG2 LYS 580 1HG LYS 580 8.646 15.246 -10.397 452 HG3 LYS 580 2HG LYS 580 9.265 13.968 -11.446 453 HD2 LYS 580 1HD LYS 580 6.327 14.547 -11.158 454 HD3 LYS 580 2HD LYS 580 7.341 15.355 -12.355 455 HE2 LYS 580 1HE LYS 580 7.907 13.230 -13.361 456 HE3 LYS 580 2HE LYS 580 7.019 12.366 -12.106 457 HZ1 LYS 580 3HZ LYS 580 5.245 14.181 -13.203 458 HZ2 LYS 580 1HZ LYS 580 5.245 12.500 -13.402 459 HZ3 LYS 580 2HZ LYS 580 6.051 13.484 -14.517 460 H ILE 581 H ILE 581 8.595 13.064 -6.818 461 HA ILE 581 HA ILE 581 7.719 10.486 -6.233 462 HB ILE 581 HB ILE 581 8.970 12.513 -4.377 463 HG12 ILE 581 1HG1 ILE 581 10.411 10.176 -5.555 464 HG13 ILE 581 2HG1 ILE 581 10.119 11.582 -6.574 465 HG21 ILE 581 1HG2 ILE 581 8.623 9.536 -4.057 466 HG22 ILE 581 2HG2 ILE 581 9.619 10.555 -3.019 467 HG23 ILE 581 3HG2 ILE 581 7.873 10.798 -3.080 468 HD11 ILE 581 3HD1 ILE 581 11.599 11.549 -3.955 469 HD12 ILE 581 1HD1 ILE 581 12.303 11.716 -5.564 470 HD13 ILE 581 2HD1 ILE 581 11.265 12.988 -4.919 471 H THR 582 H THR 582 6.989 13.446 -4.374 472 HA THR 582 HA THR 582 5.084 12.342 -2.682 473 HB THR 582 HB THR 582 6.111 14.632 -2.470 474 HG1 THR 582 HG1 THR 582 3.279 14.751 -2.334 475 HG21 THR 582 3HG2 THR 582 5.705 15.408 -4.756 476 HG22 THR 582 1HG2 THR 582 4.972 16.497 -3.579 477 HG23 THR 582 2HG2 THR 582 3.966 15.355 -4.470 478 H GLY 583 H GLY 583 4.761 13.542 -5.967 479 HA2 GLY 583 1HA GLY 583 1.962 13.715 -6.096 480 HA3 GLY 583 2HA GLY 583 3.028 13.441 -7.467 481 H MET 584 H MET 584 4.013 11.065 -7.330 482 HA MET 584 HA MET 584 1.859 9.322 -7.828 483 HB2 MET 584 1HB MET 584 4.738 8.581 -7.281 484 HB3 MET 584 2HB MET 584 3.543 7.592 -8.108 485 HG2 MET 584 1HG MET 584 3.515 9.014 -9.984 486 HG3 MET 584 2HG MET 584 4.384 10.284 -9.127 487 HE1 MET 584 3HE MET 584 6.604 9.157 -7.692 488 HE2 MET 584 1HE MET 584 7.947 8.758 -8.764 489 HE3 MET 584 2HE MET 584 7.135 10.316 -8.911 490 H LEU 585 H LEU 585 4.031 9.666 -5.055 491 HA LEU 585 HA LEU 585 3.116 7.435 -3.607 492 HB2 LEU 585 1HB LEU 585 4.629 9.906 -2.990 493 HB3 LEU 585 2HB LEU 585 3.900 9.052 -1.632 494 HG LEU 585 HG LEU 585 5.190 7.086 -2.095 495 HD11 LEU 585 1HD1 LEU 585 5.490 6.717 -4.299 496 HD12 LEU 585 2HD1 LEU 585 7.016 7.552 -4.010 497 HD13 LEU 585 3HD1 LEU 585 5.642 8.433 -4.678 498 HD21 LEU 585 3HD2 LEU 585 7.522 8.611 -2.388 499 HD22 LEU 585 1HD2 LEU 585 6.775 8.063 -0.887 500 HD23 LEU 585 2HD2 LEU 585 6.368 9.647 -1.547 501 H LEU 586 H LEU 586 1.814 10.622 -4.048 502 HA LEU 586 HA LEU 586 -0.023 10.418 -1.824 503 HB2 LEU 586 1HB LEU 586 0.686 12.604 -2.261 504 HB3 LEU 586 2HB LEU 586 0.441 12.429 -3.998 505 HG LEU 586 HG LEU 586 -1.954 12.271 -2.248 506 HD11 LEU 586 1HD1 LEU 586 -1.922 14.909 -2.693 507 HD12 LEU 586 2HD1 LEU 586 -0.195 14.633 -2.476 508 HD13 LEU 586 3HD1 LEU 586 -1.327 14.175 -1.204 509 HD21 LEU 586 3HD2 LEU 586 -1.342 12.563 -5.013 510 HD22 LEU 586 1HD2 LEU 586 -2.222 13.994 -4.476 511 HD23 LEU 586 2HD2 LEU 586 -2.918 12.390 -4.241 512 H GLU 587 H GLU 587 0.051 9.527 -5.133 513 HA GLU 587 HA GLU 587 -2.792 9.531 -5.544 514 HB2 GLU 587 1HB GLU 587 -1.167 9.782 -7.402 515 HB3 GLU 587 2HB GLU 587 -0.631 8.130 -7.126 516 HG2 GLU 587 1HG GLU 587 -2.277 8.518 -9.014 517 HG3 GLU 587 2HG GLU 587 -2.648 7.224 -7.875 518 H ILE 588 H ILE 588 -0.357 6.951 -5.187 519 HA ILE 588 HA ILE 588 -1.738 4.683 -5.285 520 HB ILE 588 HB ILE 588 -0.458 4.131 -2.970 521 HG12 ILE 588 1HG1 ILE 588 1.259 6.283 -4.186 522 HG13 ILE 588 2HG1 ILE 588 0.118 6.650 -2.897 523 HG21 ILE 588 1HG2 ILE 588 0.917 4.459 -5.633 524 HG22 ILE 588 2HG2 ILE 588 1.386 3.373 -4.326 525 HG23 ILE 588 3HG2 ILE 588 -0.125 3.105 -5.196 526 HD11 ILE 588 3HD1 ILE 588 2.420 6.265 -2.104 527 HD12 ILE 588 1HD1 ILE 588 1.247 5.149 -1.405 528 HD13 ILE 588 2HD1 ILE 588 2.316 4.608 -2.699 529 H ASP 589 H ASP 589 -1.559 6.484 -2.206 530 HA ASP 589 HA ASP 589 -4.266 6.514 -1.631 531 HB2 ASP 589 1HB ASP 589 -3.182 3.893 -1.376 532 HB3 ASP 589 2HB ASP 589 -3.539 4.487 0.243 533 H ASN 590 H ASN 590 -4.104 8.327 -0.475 534 HA ASN 590 HA ASN 590 -1.984 9.180 1.068 535 HB2 ASN 590 1HB ASN 590 -4.930 9.803 1.320 536 HB3 ASN 590 2HB ASN 590 -3.681 10.653 2.224 537 HD21 ASN 590 2HD2 ASN 590 -5.644 11.233 -0.103 538 HD22 ASN 590 1HD2 ASN 590 -4.661 12.115 -1.218 539 H SER 591 H SER 591 -4.844 7.351 2.092 540 HA SER 591 HA SER 591 -4.454 7.310 4.820 541 HB2 SER 591 1HB SER 591 -6.294 6.207 3.254 542 HB3 SER 591 2HB SER 591 -5.303 4.769 3.500 543 HG SER 591 HG SER 591 -6.900 4.924 5.101 544 H GLU 592 H GLU 592 -3.003 5.207 2.366 545 HA GLU 592 HA GLU 592 -1.642 3.495 4.133 546 HB2 GLU 592 1HB GLU 592 -2.021 3.059 1.705 547 HB3 GLU 592 2HB GLU 592 -0.806 4.275 1.336 548 HG2 GLU 592 1HG GLU 592 0.097 2.017 1.196 549 HG3 GLU 592 2HG GLU 592 0.892 2.961 2.455 550 H LEU 593 H LEU 593 -0.764 6.588 2.699 551 HA LEU 593 HA LEU 593 1.946 6.572 3.529 552 HB2 LEU 593 1HB LEU 593 0.434 9.118 3.215 553 HB3 LEU 593 2HB LEU 593 2.073 8.715 2.709 554 HG LEU 593 HG LEU 593 -0.490 7.877 1.358 555 HD11 LEU 593 1HD1 LEU 593 -0.180 9.552 -0.098 556 HD12 LEU 593 2HD1 LEU 593 1.572 9.354 -0.110 557 HD13 LEU 593 3HD1 LEU 593 0.796 10.263 1.187 558 HD21 LEU 593 3HD2 LEU 593 2.340 7.304 0.498 559 HD22 LEU 593 1HD2 LEU 593 0.850 6.757 -0.271 560 HD23 LEU 593 2HD2 LEU 593 1.301 6.137 1.317 561 H LEU 594 H LEU 594 -1.044 7.653 5.024 562 HA LEU 594 HA LEU 594 0.055 9.119 7.149 563 HB2 LEU 594 1HB LEU 594 -2.535 7.779 6.608 564 HB3 LEU 594 2HB LEU 594 -2.181 8.222 8.277 565 HG LEU 594 HG LEU 594 -2.258 10.129 5.939 566 HD11 LEU 594 1HD1 LEU 594 -4.262 10.993 7.295 567 HD12 LEU 594 2HD1 LEU 594 -4.255 9.399 8.048 568 HD13 LEU 594 3HD1 LEU 594 -4.480 9.549 6.306 569 HD21 LEU 594 3HD2 LEU 594 -1.034 10.347 8.478 570 HD22 LEU 594 1HD2 LEU 594 -2.471 11.370 8.494 571 HD23 LEU 594 2HD2 LEU 594 -1.241 11.598 7.251 572 H HIS 595 H HIS 595 0.089 5.780 6.512 573 HA HIS 595 HA HIS 595 0.871 5.219 9.298 574 HB2 HIS 595 1HB HIS 595 -1.208 4.054 8.011 575 HB3 HIS 595 2HB HIS 595 0.089 2.944 7.575 576 HD1 HIS 595 HD1 HIS 595 0.912 1.357 9.361 577 HD2 HIS 595 HD2 HIS 595 -1.735 4.207 10.821 578 HE1 HIS 595 HE1 HIS 595 0.365 0.628 11.705 579 H MET 596 H MET 596 1.891 5.388 6.086 580 HA MET 596 HA MET 596 4.010 3.422 6.354 581 HB2 MET 596 1HB MET 596 2.758 3.855 4.198 582 HB3 MET 596 2HB MET 596 3.600 5.396 4.108 583 HG2 MET 596 1HG MET 596 5.666 4.390 3.761 584 HG3 MET 596 2HG MET 596 5.116 2.833 4.376 585 HE1 MET 596 3HE MET 596 2.672 4.704 1.761 586 HE2 MET 596 1HE MET 596 4.234 5.522 1.824 587 HE3 MET 596 2HE MET 596 3.761 4.637 0.374 588 H LEU 597 H LEU 597 3.528 6.792 6.836 589 HA LEU 597 HA LEU 597 6.228 7.635 6.520 590 HB2 LEU 597 1HB LEU 597 5.535 9.709 7.317 591 HB3 LEU 597 2HB LEU 597 4.115 9.062 6.498 592 HG LEU 597 HG LEU 597 3.309 10.075 8.457 593 HD11 LEU 597 1HD1 LEU 597 3.609 7.150 9.117 594 HD12 LEU 597 2HD1 LEU 597 2.410 7.821 8.013 595 HD13 LEU 597 3HD1 LEU 597 2.370 8.249 9.723 596 HD21 LEU 597 3HD2 LEU 597 4.949 8.562 10.380 597 HD22 LEU 597 1HD2 LEU 597 4.386 10.233 10.430 598 HD23 LEU 597 2HD2 LEU 597 5.797 9.807 9.461 599 H GLU 598 H GLU 598 4.814 5.658 8.776 600 HA GLU 598 HA GLU 598 6.479 6.534 11.007 601 HB2 GLU 598 1HB GLU 598 4.538 4.222 10.892 602 HB3 GLU 598 2HB GLU 598 5.273 4.907 12.334 603 HG2 GLU 598 1HG GLU 598 4.106 7.102 11.500 604 HG3 GLU 598 2HG GLU 598 3.069 5.964 10.642 605 H SER 599 H SER 599 6.688 4.478 8.369 606 HA SER 599 HA SER 599 8.592 2.687 9.712 607 HB2 SER 599 1HB SER 599 6.698 2.361 7.502 608 HB3 SER 599 2HB SER 599 8.301 1.719 7.145 609 HG SER 599 HG SER 599 6.732 0.282 8.248 610 HA PRO 600 HA PRO 600 11.851 5.046 7.833 611 HB2 PRO 600 1HB PRO 600 13.880 3.405 8.582 612 HB3 PRO 600 2HB PRO 600 13.086 4.521 9.698 613 HG2 PRO 600 1HG PRO 600 12.646 1.584 9.324 614 HG3 PRO 600 2HG PRO 600 12.758 2.516 10.828 615 HD2 PRO 600 1HD PRO 600 10.391 1.741 9.767 616 HD3 PRO 600 2HD PRO 600 10.578 3.250 10.683 617 H GLU 601 H GLU 601 11.929 1.491 7.514 618 HA GLU 601 HA GLU 601 13.446 1.502 5.121 619 HB2 GLU 601 1HB GLU 601 12.917 -0.413 6.871 620 HB3 GLU 601 2HB GLU 601 11.599 -0.755 5.759 621 HG2 GLU 601 1HG GLU 601 12.986 -1.467 4.105 622 HG3 GLU 601 2HG GLU 601 14.314 -0.428 4.617 623 H SER 602 H SER 602 10.154 2.109 5.773 624 HA SER 602 HA SER 602 9.198 1.367 3.146 625 HB2 SER 602 1HB SER 602 7.856 2.822 5.436 626 HB3 SER 602 2HB SER 602 7.049 2.365 3.936 627 HG SER 602 HG SER 602 8.388 0.473 5.554 628 H LEU 603 H LEU 603 9.587 4.406 4.963 629 HA LEU 603 HA LEU 603 8.803 6.200 3.026 630 HB2 LEU 603 1HB LEU 603 9.226 7.128 5.100 631 HB3 LEU 603 2HB LEU 603 10.790 6.330 5.251 632 HG LEU 603 HG LEU 603 11.762 7.891 3.657 633 HD11 LEU 603 1HD1 LEU 603 9.872 9.925 3.445 634 HD12 LEU 603 2HD1 LEU 603 8.993 8.442 3.078 635 HD13 LEU 603 3HD1 LEU 603 10.440 8.858 2.160 636 HD21 LEU 603 3HD2 LEU 603 11.996 9.633 5.130 637 HD22 LEU 603 1HD2 LEU 603 11.342 8.391 6.199 638 HD23 LEU 603 2HD2 LEU 603 10.284 9.648 5.557 639 H ARG 604 H ARG 604 12.201 5.317 3.683 640 HA ARG 604 HA ARG 604 13.335 6.537 1.478 641 HB2 ARG 604 1HB ARG 604 15.188 4.886 1.739 642 HB3 ARG 604 2HB ARG 604 14.723 5.675 3.240 643 HG2 ARG 604 1HG ARG 604 14.750 3.594 4.063 644 HG3 ARG 604 2HG ARG 604 13.153 3.474 3.320 645 HD2 ARG 604 1HD ARG 604 14.103 1.618 2.413 646 HD3 ARG 604 2HD ARG 604 14.611 2.800 1.207 647 HE ARG 604 HE ARG 604 16.575 2.697 3.183 648 HH11 ARG 604 1HH1 ARG 604 15.199 0.637 0.737 649 HH12 ARG 604 2HH1 ARG 604 16.655 -0.272 0.498 650 HH21 ARG 604 1HH2 ARG 604 18.498 1.509 2.877 651 HH22 ARG 604 2HH2 ARG 604 18.530 0.225 1.716 652 H SER 605 H SER 605 12.022 3.256 1.757 653 HA SER 605 HA SER 605 12.732 2.303 -0.761 654 HB2 SER 605 1HB SER 605 11.884 0.729 0.793 655 HB3 SER 605 2HB SER 605 10.410 1.661 1.054 656 HG SER 605 HG SER 605 10.483 -0.310 -0.462 657 H LYS 606 H LYS 606 9.671 3.832 0.236 658 HA LYS 606 HA LYS 606 8.385 3.841 -2.211 659 HB2 LYS 606 1HB LYS 606 8.278 5.843 0.046 660 HB3 LYS 606 2HB LYS 606 7.190 5.890 -1.335 661 HG2 LYS 606 1HG LYS 606 7.449 3.622 0.630 662 HG3 LYS 606 2HG LYS 606 6.149 4.814 0.582 663 HD2 LYS 606 1HD LYS 606 6.823 2.815 -1.577 664 HD3 LYS 606 2HD LYS 606 5.445 2.740 -0.476 665 HE2 LYS 606 1HE LYS 606 4.626 4.873 -1.410 666 HE3 LYS 606 2HE LYS 606 5.972 4.869 -2.548 667 HZ1 LYS 606 3HZ LYS 606 4.120 3.996 -3.685 668 HZ2 LYS 606 1HZ LYS 606 3.709 2.961 -2.411 669 HZ3 LYS 606 2HZ LYS 606 5.100 2.665 -3.327 670 H VAL 607 H VAL 607 10.379 6.459 -0.836 671 HA VAL 607 HA VAL 607 10.289 8.197 -2.998 672 HB VAL 607 HB VAL 607 12.565 7.750 -1.062 673 HG11 VAL 607 1HG1 VAL 607 12.927 10.263 -1.712 674 HG12 VAL 607 2HG1 VAL 607 13.597 8.973 -2.713 675 HG13 VAL 607 3HG1 VAL 607 12.106 9.782 -3.197 676 HG21 VAL 607 3HG2 VAL 607 11.446 8.977 0.440 677 HG22 VAL 607 1HG2 VAL 607 10.905 10.134 -0.777 678 HG23 VAL 607 2HG2 VAL 607 10.020 8.627 -0.536 679 H ASP 608 H ASP 608 12.709 5.682 -2.293 680 HA ASP 608 HA ASP 608 14.343 6.061 -4.505 681 HB2 ASP 608 1HB ASP 608 14.821 4.565 -2.551 682 HB3 ASP 608 2HB ASP 608 13.696 3.395 -3.236 683 H GLU 609 H GLU 609 11.599 3.813 -4.167 684 HA GLU 609 HA GLU 609 11.645 2.730 -6.717 685 HB2 GLU 609 1HB GLU 609 10.126 2.258 -4.604 686 HB3 GLU 609 2HB GLU 609 9.009 3.322 -5.447 687 HG2 GLU 609 1HG GLU 609 8.631 1.834 -7.125 688 HG3 GLU 609 2HG GLU 609 10.227 1.099 -6.985 689 H ALA 610 H ALA 610 9.728 5.515 -5.586 690 HA ALA 610 HA ALA 610 8.505 6.212 -7.952 691 HB1 ALA 610 3HB ALA 610 9.285 8.614 -6.634 692 HB2 ALA 610 1HB ALA 610 7.708 7.824 -6.657 693 HB3 ALA 610 2HB ALA 610 8.889 7.399 -5.418 694 H VAL 611 H VAL 611 11.526 7.664 -6.720 695 HA VAL 611 HA VAL 611 12.197 9.186 -8.907 696 HB VAL 611 HB VAL 611 14.123 7.658 -7.150 697 HG11 VAL 611 1HG1 VAL 611 15.323 10.020 -7.870 698 HG12 VAL 611 2HG1 VAL 611 15.648 8.440 -8.587 699 HG13 VAL 611 3HG1 VAL 611 14.496 9.536 -9.350 700 HG21 VAL 611 3HG2 VAL 611 13.741 10.506 -6.645 701 HG22 VAL 611 1HG2 VAL 611 12.287 9.546 -6.373 702 HG23 VAL 611 2HG2 VAL 611 13.777 9.150 -5.518 703 H ALA 612 H ALA 612 12.866 5.753 -8.364 704 HA ALA 612 HA ALA 612 14.472 5.297 -10.609 705 HB1 ALA 612 3HB ALA 612 12.570 3.352 -9.309 706 HB2 ALA 612 1HB ALA 612 13.961 2.953 -10.317 707 HB3 ALA 612 2HB ALA 612 14.201 3.709 -8.741 708 H VAL 613 H VAL 613 10.956 5.198 -10.221 709 HA VAL 613 HA VAL 613 10.345 4.203 -12.784 710 HB VAL 613 HB VAL 613 8.686 5.961 -10.972 711 HG11 VAL 613 1HG1 VAL 613 7.078 4.324 -12.618 712 HG12 VAL 613 2HG1 VAL 613 7.193 6.085 -12.610 713 HG13 VAL 613 3HG1 VAL 613 8.240 5.136 -13.666 714 HG21 VAL 613 3HG2 VAL 613 9.252 3.066 -11.080 715 HG22 VAL 613 1HG2 VAL 613 8.810 4.088 -9.713 716 HG23 VAL 613 2HG2 VAL 613 7.567 3.520 -10.827 717 H LEU 614 H LEU 614 10.610 7.516 -11.543 718 HA LEU 614 HA LEU 614 9.788 8.897 -13.808 719 HB2 LEU 614 1HB LEU 614 11.995 9.766 -11.954 720 HB3 LEU 614 2HB LEU 614 10.947 10.796 -12.927 721 HG LEU 614 HG LEU 614 10.049 9.124 -10.581 722 HD11 LEU 614 1HD1 LEU 614 11.505 10.964 -9.897 723 HD12 LEU 614 2HD1 LEU 614 9.836 11.242 -9.401 724 HD13 LEU 614 3HD1 LEU 614 10.495 12.098 -10.794 725 HD21 LEU 614 3HD2 LEU 614 8.281 9.431 -12.203 726 HD22 LEU 614 1HD2 LEU 614 8.605 11.163 -12.271 727 HD23 LEU 614 2HD2 LEU 614 7.976 10.442 -10.790 728 H GLN 615 H GLN 615 12.884 7.426 -13.058 729 HA GLN 615 HA GLN 615 14.409 8.613 -15.097 730 HB2 GLN 615 1HB GLN 615 14.750 6.549 -13.144 731 HB3 GLN 615 2HB GLN 615 15.341 5.967 -14.694 732 HG2 GLN 615 1HG GLN 615 16.156 8.642 -13.626 733 HG3 GLN 615 2HG GLN 615 16.978 7.163 -13.133 734 HE21 GLN 615 2HE2 GLN 615 18.620 6.516 -14.329 735 HE22 GLN 615 1HE2 GLN 615 18.960 7.024 -15.945 736 H ALA 616 H ALA 616 11.899 6.320 -15.233 737 HA ALA 616 HA ALA 616 12.747 5.139 -17.743 738 HB1 ALA 616 3HB ALA 616 10.196 4.802 -16.171 739 HB2 ALA 616 1HB ALA 616 10.640 3.882 -17.608 740 HB3 ALA 616 2HB ALA 616 11.598 3.733 -16.134 741 H HIS 617 H HIS 617 10.594 7.638 -16.604 742 HA HIS 617 HA HIS 617 9.738 8.130 -19.380 743 HB2 HIS 617 1HB HIS 617 8.289 8.184 -16.823 744 HB3 HIS 617 2HB HIS 617 7.994 9.585 -17.848 745 HD1 HIS 617 HD1 HIS 617 5.960 9.247 -19.191 746 HD2 HIS 617 HD2 HIS 617 8.051 5.696 -18.663 747 HE1 HIS 617 HE1 HIS 617 4.645 7.502 -20.435 748 H GLN 618 H GLN 618 9.729 10.147 -16.454 749 HA GLN 618 HA GLN 618 11.755 11.901 -17.537 750 HB2 GLN 618 1HB GLN 618 10.306 13.907 -17.470 751 HB3 GLN 618 2HB GLN 618 9.813 12.752 -18.701 752 HG2 GLN 618 1HG GLN 618 8.150 11.888 -16.964 753 HG3 GLN 618 2HG GLN 618 8.495 13.377 -16.085 754 HE21 GLN 618 2HE2 GLN 618 6.038 12.392 -17.402 755 HE22 GLN 618 1HE2 GLN 618 5.575 13.643 -18.499 756 H ALA 619 H ALA 619 12.970 12.570 -15.902 757 HA ALA 619 HA ALA 619 11.743 12.759 -13.227 758 HB1 ALA 619 3HB ALA 619 14.049 11.281 -14.129 759 HB2 ALA 619 1HB ALA 619 14.483 12.420 -12.853 760 HB3 ALA 619 2HB ALA 619 13.214 11.226 -12.576 761 H LYS 620 H LYS 620 14.901 13.745 -14.523 762 HA LYS 620 HA LYS 620 14.228 16.536 -13.884 763 HB2 LYS 620 1HB LYS 620 15.853 15.093 -12.284 764 HB3 LYS 620 2HB LYS 620 17.033 15.686 -13.446 765 HG2 LYS 620 1HG LYS 620 15.194 17.733 -12.448 766 HG3 LYS 620 2HG LYS 620 16.232 17.013 -11.215 767 HD2 LYS 620 1HD LYS 620 17.227 18.142 -13.829 768 HD3 LYS 620 2HD LYS 620 17.199 19.035 -12.306 769 HE2 LYS 620 1HE LYS 620 18.470 16.393 -12.162 770 HE3 LYS 620 2HE LYS 620 19.296 17.550 -13.204 771 HZ1 LYS 620 3HZ LYS 620 20.191 18.370 -11.363 772 HZ2 LYS 620 1HZ LYS 620 19.185 17.448 -10.363 773 HZ3 LYS 620 2HZ LYS 620 18.663 18.953 -10.931 774 H GLU 621 H GLU 621 13.987 15.580 -16.417 775 HA GLU 621 HA GLU 621 16.235 15.634 -18.056 776 HB2 GLU 621 1HB GLU 621 14.671 16.199 -19.888 777 HB3 GLU 621 2HB GLU 621 14.089 14.880 -18.883 778 HG2 GLU 621 1HG GLU 621 13.209 17.619 -18.184 779 HG3 GLU 621 2HG GLU 621 12.536 16.887 -19.640 780 H ALA 622 H ALA 622 14.554 18.215 -16.489 781 HA ALA 622 HA ALA 622 14.842 20.475 -16.449 782 HB1 ALA 622 3HB ALA 622 17.620 20.173 -17.479 783 HB2 ALA 622 1HB ALA 622 17.004 21.187 -16.175 784 HB3 ALA 622 2HB ALA 622 17.200 19.452 -15.926 785 H ALA 623 H ALA 623 13.444 19.933 -18.589 786 HA ALA 623 HA ALA 623 14.559 21.712 -20.636 787 HB1 ALA 623 3HB ALA 623 12.970 19.563 -21.791 788 HB2 ALA 623 1HB ALA 623 14.533 20.212 -22.288 789 HB3 ALA 623 2HB ALA 623 14.449 18.992 -21.017 Start of MODEL 8 1 H1 ALA 64 1H ALA 64 1.288 2.054 -2.955 2 HA ALA 64 HA ALA 64 3.232 0.634 -4.646 3 HB1 ALA 64 3HB ALA 64 4.428 -0.078 -2.913 4 HB2 ALA 64 1HB ALA 64 3.541 1.075 -1.916 5 HB3 ALA 64 2HB ALA 64 2.982 -0.593 -2.046 6 H PHE 65 H PHE 65 2.146 -0.758 -5.863 7 HA PHE 65 HA PHE 65 -0.290 -1.996 -4.778 8 HB2 PHE 65 1HB PHE 65 0.339 -2.306 -7.653 9 HB3 PHE 65 2HB PHE 65 -1.197 -1.961 -6.865 10 HD1 PHE 65 HD2 PHE 65 1.889 -0.507 -8.205 11 HD2 PHE 65 HD1 PHE 65 -1.916 0.290 -6.472 12 HE1 PHE 65 HE2 PHE 65 2.090 1.856 -8.860 13 HE2 PHE 65 HE1 PHE 65 -1.721 2.655 -7.125 14 HZ PHE 65 HZ PHE 65 0.284 3.440 -8.319 15 H SER 66 H SER 66 2.281 -2.897 -7.084 16 HA SER 66 HA SER 66 2.379 -5.542 -5.788 17 HB2 SER 66 1HB SER 66 2.986 -6.413 -8.114 18 HB3 SER 66 2HB SER 66 1.306 -5.939 -7.867 19 HG SER 66 HG SER 66 2.555 -5.152 -9.825 20 H ARG 67 H ARG 67 4.175 -3.358 -7.957 21 HA ARG 67 HA ARG 67 6.561 -3.688 -6.360 22 HB2 ARG 67 1HB ARG 67 6.297 -4.839 -9.118 23 HB3 ARG 67 2HB ARG 67 7.856 -4.251 -8.553 24 HG2 ARG 67 1HG ARG 67 7.590 -5.777 -6.571 25 HG3 ARG 67 2HG ARG 67 6.198 -6.476 -7.401 26 HD2 ARG 67 1HD ARG 67 7.555 -7.208 -9.218 27 HD3 ARG 67 2HD ARG 67 8.943 -6.297 -8.625 28 HE ARG 67 HE ARG 67 8.161 -8.129 -6.655 29 HH11 ARG 67 1HH1 ARG 67 9.568 -8.074 -9.838 30 HH12 ARG 67 2HH1 ARG 67 10.456 -9.545 -9.613 31 HH21 ARG 67 1HH2 ARG 67 9.325 -10.066 -6.346 32 HH22 ARG 67 2HH2 ARG 67 10.316 -10.677 -7.627 33 H GLN 68 H GLN 68 6.058 -2.774 -9.761 34 HA GLN 68 HA GLN 68 7.287 -0.187 -9.195 35 HB2 GLN 68 1HB GLN 68 8.026 -1.650 -11.125 36 HB3 GLN 68 2HB GLN 68 6.482 -1.289 -11.886 37 HG2 GLN 68 1HG GLN 68 7.011 1.025 -12.039 38 HG3 GLN 68 2HG GLN 68 8.450 0.820 -11.042 39 HE21 GLN 68 2HE2 GLN 68 10.262 -0.227 -11.925 40 HE22 GLN 68 1HE2 GLN 68 10.483 -0.358 -13.633 41 H LEU 69 H LEU 69 6.354 1.755 -10.252 42 HA LEU 69 HA LEU 69 3.411 1.646 -10.322 43 HB2 LEU 69 1HB LEU 69 3.482 3.978 -9.375 44 HB3 LEU 69 2HB LEU 69 3.926 2.678 -8.271 45 HG LEU 69 HG LEU 69 6.368 3.319 -9.012 46 HD11 LEU 69 1HD1 LEU 69 6.596 5.722 -9.407 47 HD12 LEU 69 2HD1 LEU 69 4.842 5.875 -9.491 48 HD13 LEU 69 3HD1 LEU 69 5.704 4.932 -10.707 49 HD21 LEU 69 3HD2 LEU 69 5.334 5.379 -7.208 50 HD22 LEU 69 1HD2 LEU 69 6.551 4.132 -6.933 51 HD23 LEU 69 2HD2 LEU 69 4.838 3.737 -6.794 52 H ASN 70 H ASN 70 2.727 4.070 -11.140 53 HA ASN 70 HA ASN 70 4.069 4.333 -13.746 54 HB2 ASN 70 1HB ASN 70 1.884 5.451 -14.426 55 HB3 ASN 70 2HB ASN 70 1.802 3.723 -14.096 56 HD21 ASN 70 2HD2 ASN 70 0.359 6.633 -13.550 57 HD22 ASN 70 1HD2 ASN 70 -0.560 6.235 -12.142 58 H VAL 71 H VAL 71 4.815 6.282 -14.439 59 HA VAL 71 HA VAL 71 5.052 8.370 -12.431 60 HB VAL 71 HB VAL 71 7.020 7.628 -13.782 61 HG11 VAL 71 1HG1 VAL 71 7.174 7.876 -16.039 62 HG12 VAL 71 2HG1 VAL 71 5.430 7.633 -15.913 63 HG13 VAL 71 3HG1 VAL 71 6.086 9.263 -16.073 64 HG21 VAL 71 3HG2 VAL 71 7.968 9.777 -13.936 65 HG22 VAL 71 1HG2 VAL 71 6.411 10.527 -14.285 66 HG23 VAL 71 2HG2 VAL 71 6.747 9.902 -12.671 67 H ASN 72 H ASN 72 2.980 7.624 -14.961 68 HA ASN 72 HA ASN 72 2.459 10.305 -15.864 69 HB2 ASN 72 1HB ASN 72 1.534 7.598 -16.527 70 HB3 ASN 72 2HB ASN 72 0.281 8.829 -16.650 71 HD21 ASN 72 2HD2 ASN 72 3.543 8.002 -17.689 72 HD22 ASN 72 1HD2 ASN 72 3.480 8.865 -19.184 73 H ALA 73 H ALA 73 1.791 8.753 -13.047 74 HA ALA 73 HA ALA 73 -0.918 9.453 -12.584 75 HB1 ALA 73 3HB ALA 73 -0.649 8.483 -10.564 76 HB2 ALA 73 1HB ALA 73 0.836 7.874 -11.296 77 HB3 ALA 73 2HB ALA 73 0.885 9.298 -10.256 78 H LYS 74 H LYS 74 -1.773 11.388 -12.247 79 HA LYS 74 HA LYS 74 -0.400 13.783 -12.279 80 HB2 LYS 74 1HB LYS 74 -2.431 14.840 -11.695 81 HB3 LYS 74 2HB LYS 74 -2.896 13.390 -12.574 82 HG2 LYS 74 1HG LYS 74 -3.038 12.340 -10.188 83 HG3 LYS 74 2HG LYS 74 -3.178 14.023 -9.677 84 HD2 LYS 74 1HD LYS 74 -5.389 13.494 -9.990 85 HD3 LYS 74 2HD LYS 74 -4.979 14.116 -11.590 86 HE2 LYS 74 1HE LYS 74 -4.773 11.926 -12.482 87 HE3 LYS 74 2HE LYS 74 -4.823 11.196 -10.878 88 HZ1 LYS 74 3HZ LYS 74 -7.003 12.176 -12.540 89 HZ2 LYS 74 1HZ LYS 74 -7.147 12.451 -10.877 90 HZ3 LYS 74 2HZ LYS 74 -6.965 10.874 -11.461 91 HA PRO 75 HA PRO 75 1.355 14.394 -8.302 92 HB2 PRO 75 1HB PRO 75 1.100 17.082 -8.016 93 HB3 PRO 75 2HB PRO 75 2.256 16.340 -9.128 94 HG2 PRO 75 1HG PRO 75 -0.442 17.502 -9.699 95 HG3 PRO 75 2HG PRO 75 1.068 17.677 -10.613 96 HD2 PRO 75 1HD PRO 75 -0.891 15.960 -11.352 97 HD3 PRO 75 2HD PRO 75 0.828 15.629 -11.644 98 H PHE 76 H PHE 76 -0.776 17.117 -7.970 99 HA PHE 76 HA PHE 76 -2.861 15.866 -6.534 100 HB2 PHE 76 1HB PHE 76 -2.317 16.504 -4.264 101 HB3 PHE 76 2HB PHE 76 -1.016 15.505 -4.904 102 HD1 PHE 76 HD2 PHE 76 0.954 16.856 -6.019 103 HD2 PHE 76 HD1 PHE 76 -1.772 18.440 -3.159 104 HE1 PHE 76 HE2 PHE 76 2.584 18.605 -5.440 105 HE2 PHE 76 HE1 PHE 76 -0.146 20.193 -2.576 106 HZ PHE 76 HZ PHE 76 2.035 20.276 -3.716 107 H VAL 77 H VAL 77 -3.685 17.799 -4.823 108 HA VAL 77 HA VAL 77 -4.008 20.126 -6.598 109 HB VAL 77 HB VAL 77 -6.091 20.554 -5.199 110 HG11 VAL 77 1HG1 VAL 77 -6.584 17.977 -6.514 111 HG12 VAL 77 2HG1 VAL 77 -7.293 19.565 -6.820 112 HG13 VAL 77 3HG1 VAL 77 -5.716 19.156 -7.498 113 HG21 VAL 77 3HG2 VAL 77 -6.701 19.172 -3.555 114 HG22 VAL 77 1HG2 VAL 77 -6.385 17.741 -4.536 115 HG23 VAL 77 2HG2 VAL 77 -5.069 18.510 -3.648 116 HA PRO 78 HA PRO 78 -1.587 21.758 -3.038 117 HB2 PRO 78 1HB PRO 78 -0.184 23.534 -4.537 118 HB3 PRO 78 2HB PRO 78 0.298 21.844 -4.349 119 HG2 PRO 78 1HG PRO 78 -1.171 23.156 -6.604 120 HG3 PRO 78 2HG PRO 78 0.143 21.966 -6.666 121 HD2 PRO 78 1HD PRO 78 -2.455 21.287 -7.016 122 HD3 PRO 78 2HD PRO 78 -1.274 20.193 -6.267 123 H ASN 79 H ASN 79 -1.132 24.244 -2.635 124 HA ASN 79 HA ASN 79 -3.703 25.607 -3.042 125 HB2 ASN 79 1HB ASN 79 -2.943 27.027 -1.091 126 HB3 ASN 79 2HB ASN 79 -3.244 25.333 -0.717 127 HD21 ASN 79 2HD2 ASN 79 -1.921 25.496 1.112 128 HD22 ASN 79 1HD2 ASN 79 -0.198 25.520 0.981 129 H VAL 80 H VAL 80 -1.561 25.553 -5.022 130 HA VAL 80 HA VAL 80 -0.449 28.244 -4.962 131 HB VAL 80 HB VAL 80 -0.136 26.075 -7.042 132 HG11 VAL 80 1HG1 VAL 80 1.879 27.490 -7.666 133 HG12 VAL 80 2HG1 VAL 80 0.295 28.132 -8.107 134 HG13 VAL 80 3HG1 VAL 80 1.147 28.772 -6.701 135 HG21 VAL 80 3HG2 VAL 80 2.291 26.484 -5.763 136 HG22 VAL 80 1HG2 VAL 80 1.104 26.497 -4.459 137 HG23 VAL 80 2HG2 VAL 80 1.206 25.111 -5.545 138 H HIS 81 H HIS 81 -2.369 29.465 -5.181 139 HA HIS 81 HA HIS 81 -3.755 29.214 -7.760 140 HB2 HIS 81 1HB HIS 81 -5.587 30.421 -6.779 141 HB3 HIS 81 2HB HIS 81 -5.123 29.142 -5.661 142 HD1 HIS 81 HD1 HIS 81 -3.500 30.005 -3.632 143 HD2 HIS 81 HD2 HIS 81 -5.722 32.880 -5.646 144 HE1 HIS 81 HE1 HIS 81 -3.537 32.011 -2.115 145 H ALA 82 H ALA 82 -1.831 31.348 -5.789 146 HA ALA 82 HA ALA 82 -2.272 33.687 -7.388 147 HB1 ALA 82 3HB ALA 82 0.006 33.209 -5.480 148 HB2 ALA 82 1HB ALA 82 -0.662 34.754 -6.009 149 HB3 ALA 82 2HB ALA 82 -1.609 33.694 -4.964 150 H1 GLY 541 1H GLY 541 9.955 21.123 13.173 151 HA2 GLY 541 1HA GLY 541 9.613 23.951 13.911 152 HA3 GLY 541 2HA GLY 541 8.392 23.164 12.922 153 H GLN 542 H GLN 542 6.892 23.701 14.626 154 HA GLN 542 HA GLN 542 6.951 21.699 16.774 155 HB2 GLN 542 1HB GLN 542 6.079 23.331 18.365 156 HB3 GLN 542 2HB GLN 542 7.632 23.855 17.728 157 HG2 GLN 542 1HG GLN 542 6.729 25.603 16.570 158 HG3 GLN 542 2HG GLN 542 5.159 24.821 16.396 159 HE21 GLN 542 2HE2 GLN 542 3.582 25.376 17.745 160 HE22 GLN 542 1HE2 GLN 542 3.770 26.354 19.156 161 H GLU 543 H GLU 543 5.604 21.387 14.374 162 HA GLU 543 HA GLU 543 2.929 20.997 15.313 163 HB2 GLU 543 1HB GLU 543 1.891 22.309 13.409 164 HB3 GLU 543 2HB GLU 543 2.562 23.262 14.725 165 HG2 GLU 543 1HG GLU 543 4.570 23.682 13.404 166 HG3 GLU 543 2HG GLU 543 3.902 22.723 12.084 167 HA PRO 544 HA PRO 544 4.576 18.090 12.056 168 HB2 PRO 544 1HB PRO 544 4.215 15.837 13.527 169 HB3 PRO 544 2HB PRO 544 5.689 16.809 13.605 170 HG2 PRO 544 1HG PRO 544 3.341 16.778 15.461 171 HG3 PRO 544 2HG PRO 544 5.071 16.830 15.847 172 HD2 PRO 544 1HD PRO 544 3.500 19.035 15.897 173 HD3 PRO 544 2HD PRO 544 5.218 19.097 15.454 174 H LEU 545 H LEU 545 3.398 16.433 10.917 175 HA LEU 545 HA LEU 545 0.596 16.962 10.795 176 HB2 LEU 545 1HB LEU 545 2.313 16.212 8.949 177 HB3 LEU 545 2HB LEU 545 1.821 14.598 9.458 178 HG LEU 545 HG LEU 545 -0.536 15.230 8.939 179 HD11 LEU 545 1HD1 LEU 545 -1.127 17.293 8.357 180 HD12 LEU 545 2HD1 LEU 545 0.174 17.411 7.173 181 HD13 LEU 545 3HD1 LEU 545 0.483 17.804 8.864 182 HD21 LEU 545 3HD2 LEU 545 0.225 13.967 7.225 183 HD22 LEU 545 1HD2 LEU 545 1.655 14.970 6.976 184 HD23 LEU 545 2HD2 LEU 545 0.093 15.491 6.345 185 H THR 546 H THR 546 -1.125 15.517 11.163 186 HA THR 546 HA THR 546 -0.514 13.122 12.743 187 HB THR 546 HB THR 546 -2.140 13.640 14.433 188 HG1 THR 546 HG1 THR 546 -3.184 15.760 14.345 189 HG21 THR 546 3HG2 THR 546 -1.120 15.563 15.510 190 HG22 THR 546 1HG2 THR 546 -0.419 16.080 13.977 191 HG23 THR 546 2HG2 THR 546 0.123 14.582 14.735 192 H ALA 547 H ALA 547 -1.992 11.459 12.558 193 HA ALA 547 HA ALA 547 -3.414 11.198 10.189 194 HB1 ALA 547 3HB ALA 547 -4.641 9.510 12.096 195 HB2 ALA 547 1HB ALA 547 -3.419 9.097 10.893 196 HB3 ALA 547 2HB ALA 547 -2.930 9.615 12.506 197 H SER 548 H SER 548 -4.362 12.632 13.202 198 HA SER 548 HA SER 548 -7.157 12.492 12.928 199 HB2 SER 548 1HB SER 548 -6.539 13.135 15.059 200 HB3 SER 548 2HB SER 548 -5.267 14.211 14.480 201 HG SER 548 HG SER 548 -8.027 14.663 14.700 202 H MET 549 H MET 549 -4.781 14.804 11.733 203 HA MET 549 HA MET 549 -6.566 16.767 10.815 204 HB2 MET 549 1HB MET 549 -3.808 15.999 9.852 205 HB3 MET 549 2HB MET 549 -4.678 17.419 9.286 206 HG2 MET 549 1HG MET 549 -4.318 17.066 12.211 207 HG3 MET 549 2HG MET 549 -2.926 17.549 11.245 208 HE1 MET 549 3HE MET 549 -3.667 20.787 9.740 209 HE2 MET 549 1HE MET 549 -2.627 20.582 11.150 210 HE3 MET 549 2HE MET 549 -2.672 19.339 9.900 211 H LEU 550 H LEU 550 -5.606 13.699 9.493 212 HA LEU 550 HA LEU 550 -6.755 14.278 6.887 213 HB2 LEU 550 1HB LEU 550 -5.059 12.190 8.057 214 HB3 LEU 550 2HB LEU 550 -6.232 11.605 6.879 215 HG LEU 550 HG LEU 550 -3.938 12.124 5.984 216 HD11 LEU 550 1HD1 LEU 550 -6.491 13.214 4.921 217 HD12 LEU 550 2HD1 LEU 550 -5.460 11.929 4.294 218 HD13 LEU 550 3HD1 LEU 550 -4.991 13.616 4.086 219 HD21 LEU 550 3HD2 LEU 550 -3.848 14.277 7.418 220 HD22 LEU 550 1HD2 LEU 550 -4.750 15.003 6.087 221 HD23 LEU 550 2HD2 LEU 550 -3.159 14.299 5.794 222 H ALA 551 H ALA 551 -7.404 12.190 9.676 223 HA ALA 551 HA ALA 551 -9.696 10.932 8.616 224 HB1 ALA 551 3HB ALA 551 -9.085 11.423 11.525 225 HB2 ALA 551 1HB ALA 551 -10.129 10.173 10.848 226 HB3 ALA 551 2HB ALA 551 -8.389 10.116 10.567 227 H SER 552 H SER 552 -9.256 13.875 10.518 228 HA SER 552 HA SER 552 -12.133 14.368 10.509 229 HB2 SER 552 1HB SER 552 -9.805 15.673 11.908 230 HB3 SER 552 2HB SER 552 -11.397 16.430 11.866 231 HG SER 552 HG SER 552 -12.183 14.898 13.140 232 H ALA 553 H ALA 553 -10.930 14.410 7.986 233 HA ALA 553 HA ALA 553 -11.497 17.164 7.213 234 HB1 ALA 553 3HB ALA 553 -8.864 15.826 6.895 235 HB2 ALA 553 1HB ALA 553 -9.435 16.859 5.584 236 HB3 ALA 553 2HB ALA 553 -9.245 17.519 7.209 237 HA PRO 554 HA PRO 554 -13.519 15.353 3.766 238 HB2 PRO 554 1HB PRO 554 -13.026 17.147 1.789 239 HB3 PRO 554 2HB PRO 554 -14.130 17.474 3.130 240 HG2 PRO 554 1HG PRO 554 -11.284 18.328 2.770 241 HG3 PRO 554 2HG PRO 554 -12.666 19.265 3.365 242 HD2 PRO 554 1HD PRO 554 -10.824 18.173 5.022 243 HD3 PRO 554 2HD PRO 554 -12.529 18.361 5.481 244 HA PRO 555 HA PRO 555 -10.838 13.012 1.184 245 HB2 PRO 555 1HB PRO 555 -12.213 12.875 -1.153 246 HB3 PRO 555 2HB PRO 555 -12.704 12.002 0.303 247 HG2 PRO 555 1HG PRO 555 -13.744 14.584 -0.797 248 HG3 PRO 555 2HG PRO 555 -14.642 13.217 -0.113 249 HD2 PRO 555 1HD PRO 555 -14.118 15.467 1.298 250 HD3 PRO 555 2HD PRO 555 -14.225 13.867 2.059 251 H GLN 556 H GLN 556 -11.518 16.247 0.454 252 HA GLN 556 HA GLN 556 -9.705 16.310 -1.843 253 HB2 GLN 556 1HB GLN 556 -10.420 18.740 -1.942 254 HB3 GLN 556 2HB GLN 556 -11.680 17.552 -2.249 255 HG2 GLN 556 1HG GLN 556 -12.546 17.831 -0.017 256 HG3 GLN 556 2HG GLN 556 -11.227 18.928 0.388 257 HE21 GLN 556 2HE2 GLN 556 -11.041 20.771 -1.324 258 HE22 GLN 556 1HE2 GLN 556 -12.528 21.580 -1.672 259 H GLU 557 H GLU 557 -10.077 17.637 1.414 260 HA GLU 557 HA GLU 557 -7.709 19.201 1.359 261 HB2 GLU 557 1HB GLU 557 -9.462 18.166 3.574 262 HB3 GLU 557 2HB GLU 557 -7.984 19.055 3.916 263 HG2 GLU 557 1HG GLU 557 -8.818 20.978 2.717 264 HG3 GLU 557 2HG GLU 557 -10.267 20.090 2.251 265 H GLN 558 H GLN 558 -8.332 15.850 1.872 266 HA GLN 558 HA GLN 558 -6.231 15.042 3.466 267 HB2 GLN 558 1HB GLN 558 -7.451 13.659 1.074 268 HB3 GLN 558 2HB GLN 558 -6.339 12.882 2.193 269 HG2 GLN 558 1HG GLN 558 -8.292 13.985 3.822 270 HG3 GLN 558 2HG GLN 558 -9.176 13.353 2.434 271 HE21 GLN 558 2HE2 GLN 558 -9.283 12.387 5.116 272 HE22 GLN 558 1HE2 GLN 558 -8.723 10.753 5.097 273 H LYS 559 H LYS 559 -6.144 14.743 -0.084 274 HA LYS 559 HA LYS 559 -3.385 14.403 -0.278 275 HB2 LYS 559 1HB LYS 559 -3.680 15.076 -2.668 276 HB3 LYS 559 2HB LYS 559 -4.798 13.829 -2.131 277 HG2 LYS 559 1HG LYS 559 -6.488 15.657 -1.768 278 HG3 LYS 559 2HG LYS 559 -5.370 16.742 -2.597 279 HD2 LYS 559 1HD LYS 559 -6.461 14.186 -3.769 280 HD3 LYS 559 2HD LYS 559 -7.124 15.792 -4.079 281 HE2 LYS 559 1HE LYS 559 -5.646 16.067 -5.712 282 HE3 LYS 559 2HE LYS 559 -4.339 15.933 -4.536 283 HZ1 LYS 559 3HZ LYS 559 -5.489 13.848 -6.269 284 HZ2 LYS 559 1HZ LYS 559 -4.712 13.417 -4.829 285 HZ3 LYS 559 2HZ LYS 559 -3.866 14.259 -6.027 286 H GLN 560 H GLN 560 -5.306 17.308 -0.035 287 HA GLN 560 HA GLN 560 -3.407 19.174 -0.926 288 HB2 GLN 560 1HB GLN 560 -5.762 19.352 0.931 289 HB3 GLN 560 2HB GLN 560 -4.726 20.745 0.652 290 HG2 GLN 560 1HG GLN 560 -5.374 20.960 -1.546 291 HG3 GLN 560 2HG GLN 560 -5.876 19.275 -1.672 292 HE21 GLN 560 2HE2 GLN 560 -6.694 21.731 0.735 293 HE22 GLN 560 1HE2 GLN 560 -8.398 21.692 0.454 294 H MET 561 H MET 561 -4.308 18.466 2.456 295 HA MET 561 HA MET 561 -2.050 19.783 3.541 296 HB2 MET 561 1HB MET 561 -3.705 17.636 4.872 297 HB3 MET 561 2HB MET 561 -2.740 18.876 5.662 298 HG2 MET 561 1HG MET 561 -4.235 20.585 5.024 299 HG3 MET 561 2HG MET 561 -5.074 19.526 3.893 300 HE1 MET 561 3HE MET 561 -6.237 16.805 6.369 301 HE2 MET 561 1HE MET 561 -7.306 17.591 5.207 302 HE3 MET 561 2HE MET 561 -5.649 17.193 4.751 303 H LEU 562 H LEU 562 -2.814 16.302 3.339 304 HA LEU 562 HA LEU 562 -0.430 15.301 4.304 305 HB2 LEU 562 1HB LEU 562 -2.392 13.927 3.855 306 HB3 LEU 562 2HB LEU 562 -2.171 14.161 2.122 307 HG LEU 562 HG LEU 562 0.046 12.914 3.669 308 HD11 LEU 562 1HD1 LEU 562 -1.292 11.326 4.486 309 HD12 LEU 562 2HD1 LEU 562 -1.415 10.755 2.823 310 HD13 LEU 562 3HD1 LEU 562 -2.652 11.826 3.480 311 HD21 LEU 562 3HD2 LEU 562 -0.703 11.662 1.199 312 HD22 LEU 562 1HD2 LEU 562 0.795 12.490 1.624 313 HD23 LEU 562 2HD2 LEU 562 -0.565 13.406 0.974 314 H GLY 563 H GLY 563 -1.270 15.875 0.882 315 HA2 GLY 563 1HA GLY 563 1.218 15.188 -0.198 316 HA3 GLY 563 2HA GLY 563 0.053 16.268 -0.951 317 H GLU 564 H GLU 564 -0.012 18.407 0.704 318 HA GLU 564 HA GLU 564 2.241 19.871 -0.038 319 HB2 GLU 564 1HB GLU 564 0.063 20.323 1.974 320 HB3 GLU 564 2HB GLU 564 1.406 21.451 1.859 321 HG2 GLU 564 1HG GLU 564 0.007 20.731 -0.649 322 HG3 GLU 564 2HG GLU 564 -0.842 21.768 0.496 323 H ARG 565 H ARG 565 1.504 18.169 2.963 324 HA ARG 565 HA ARG 565 3.837 19.105 4.335 325 HB2 ARG 565 1HB ARG 565 1.571 18.148 5.271 326 HB3 ARG 565 2HB ARG 565 2.400 16.604 5.126 327 HG2 ARG 565 1HG ARG 565 3.856 18.784 6.494 328 HG3 ARG 565 2HG ARG 565 2.474 18.080 7.335 329 HD2 ARG 565 1HD ARG 565 3.434 15.925 7.318 330 HD3 ARG 565 2HD ARG 565 4.652 16.395 6.133 331 HE ARG 565 HE ARG 565 4.808 16.704 8.962 332 HH11 ARG 565 1HH1 ARG 565 5.778 18.122 5.934 333 HH12 ARG 565 2HH1 ARG 565 7.184 18.889 6.595 334 HH21 ARG 565 1HH2 ARG 565 6.656 17.709 9.843 335 HH22 ARG 565 2HH2 ARG 565 7.683 18.653 8.818 336 H LEU 566 H LEU 566 3.047 16.371 2.315 337 HA LEU 566 HA LEU 566 5.372 14.841 2.995 338 HB2 LEU 566 1HB LEU 566 3.026 14.532 1.351 339 HB3 LEU 566 2HB LEU 566 4.470 14.026 0.476 340 HG LEU 566 HG LEU 566 4.955 12.625 2.613 341 HD11 LEU 566 1HD1 LEU 566 3.371 13.296 4.155 342 HD12 LEU 566 2HD1 LEU 566 2.655 11.824 3.500 343 HD13 LEU 566 3HD1 LEU 566 2.088 13.401 2.949 344 HD21 LEU 566 3HD2 LEU 566 4.056 10.772 1.560 345 HD22 LEU 566 1HD2 LEU 566 4.196 11.925 0.233 346 HD23 LEU 566 2HD2 LEU 566 2.632 11.650 1.000 347 H PHE 567 H PHE 567 4.631 17.367 0.748 348 HA PHE 567 HA PHE 567 6.474 17.020 -1.259 349 HB2 PHE 567 1HB PHE 567 4.806 19.075 -0.430 350 HB3 PHE 567 2HB PHE 567 6.414 19.785 -0.335 351 HD1 PHE 567 HD1 PHE 567 7.878 18.776 -2.528 352 HD2 PHE 567 HD2 PHE 567 3.736 19.737 -2.341 353 HE1 PHE 567 HE1 PHE 567 7.858 19.149 -4.960 354 HE2 PHE 567 HE2 PHE 567 3.709 20.111 -4.773 355 HZ PHE 567 HZ PHE 567 5.772 19.816 -6.086 356 HA PRO 568 HA PRO 568 9.852 19.238 1.393 357 HB2 PRO 568 1HB PRO 568 9.321 19.596 4.031 358 HB3 PRO 568 2HB PRO 568 8.898 20.787 2.795 359 HG2 PRO 568 1HG PRO 568 7.170 18.728 4.110 360 HG3 PRO 568 2HG PRO 568 6.805 20.423 3.740 361 HD2 PRO 568 1HD PRO 568 5.928 18.374 2.201 362 HD3 PRO 568 2HD PRO 568 6.328 19.968 1.531 363 H LEU 569 H LEU 569 7.915 16.951 3.313 364 HA LEU 569 HA LEU 569 9.918 15.732 4.762 365 HB2 LEU 569 1HB LEU 569 7.343 15.367 4.725 366 HB3 LEU 569 2HB LEU 569 7.721 14.099 3.559 367 HG LEU 569 HG LEU 569 7.423 13.240 5.847 368 HD11 LEU 569 1HD1 LEU 569 9.260 12.492 4.022 369 HD12 LEU 569 2HD1 LEU 569 8.979 11.644 5.542 370 HD13 LEU 569 3HD1 LEU 569 10.301 12.805 5.411 371 HD21 LEU 569 3HD2 LEU 569 8.753 13.849 7.643 372 HD22 LEU 569 1HD2 LEU 569 8.471 15.393 6.837 373 HD23 LEU 569 2HD2 LEU 569 10.003 14.549 6.613 374 H ILE 570 H ILE 570 8.974 15.195 1.417 375 HA ILE 570 HA ILE 570 10.688 12.924 1.052 376 HB ILE 570 HB ILE 570 9.239 14.686 -0.921 377 HG12 ILE 570 1HG1 ILE 570 8.754 11.795 -0.194 378 HG13 ILE 570 2HG1 ILE 570 7.935 13.136 0.601 379 HG21 ILE 570 1HG2 ILE 570 10.967 13.943 -2.245 380 HG22 ILE 570 2HG2 ILE 570 11.150 12.438 -1.347 381 HG23 ILE 570 3HG2 ILE 570 9.794 12.643 -2.454 382 HD11 ILE 570 3HD1 ILE 570 6.527 13.436 -1.104 383 HD12 ILE 570 1HD1 ILE 570 7.786 13.202 -2.317 384 HD13 ILE 570 2HD1 ILE 570 7.007 11.805 -1.572 385 H GLN 571 H GLN 571 10.958 16.384 0.609 386 HA GLN 571 HA GLN 571 13.209 16.480 -1.041 387 HB2 GLN 571 1HB GLN 571 12.275 18.376 1.116 388 HB3 GLN 571 2HB GLN 571 13.596 18.734 0.012 389 HG2 GLN 571 1HG GLN 571 12.000 18.421 -1.878 390 HG3 GLN 571 2HG GLN 571 10.707 18.286 -0.687 391 HE21 GLN 571 2HE2 GLN 571 11.514 20.204 1.130 392 HE22 GLN 571 1HE2 GLN 571 11.400 21.764 0.396 393 H ALA 572 H ALA 572 12.898 15.506 2.224 394 HA ALA 572 HA ALA 572 15.376 16.139 3.308 395 HB1 ALA 572 3HB ALA 572 13.787 15.265 4.785 396 HB2 ALA 572 1HB ALA 572 13.501 13.844 3.779 397 HB3 ALA 572 2HB ALA 572 15.015 14.004 4.671 398 H MET 573 H MET 573 14.549 13.837 0.868 399 HA MET 573 HA MET 573 17.350 12.934 0.814 400 HB2 MET 573 1HB MET 573 16.257 10.787 -0.238 401 HB3 MET 573 2HB MET 573 16.362 10.974 1.507 402 HG2 MET 573 1HG MET 573 13.924 12.004 0.191 403 HG3 MET 573 2HG MET 573 14.129 10.255 0.257 404 HE1 MET 573 3HE MET 573 11.962 9.720 2.308 405 HE2 MET 573 1HE MET 573 11.507 11.303 2.940 406 HE3 MET 573 2HE MET 573 11.784 11.091 1.211 407 H HIS 574 H HIS 574 14.375 13.448 -1.032 408 HA HIS 574 HA HIS 574 16.037 13.875 -3.428 409 HB2 HIS 574 1HB HIS 574 13.427 12.436 -3.110 410 HB3 HIS 574 2HB HIS 574 13.809 13.219 -4.640 411 HD1 HIS 574 HD1 HIS 574 14.879 10.386 -2.429 412 HD2 HIS 574 HD2 HIS 574 15.740 11.942 -6.184 413 HE1 HIS 574 HE1 HIS 574 16.286 8.644 -3.572 414 HA PRO 575 HA PRO 575 13.765 17.784 -2.401 415 HB2 PRO 575 1HB PRO 575 15.891 19.410 -2.857 416 HB3 PRO 575 2HB PRO 575 15.594 18.631 -1.298 417 HG2 PRO 575 1HG PRO 575 17.458 17.820 -3.495 418 HG3 PRO 575 2HG PRO 575 17.735 17.842 -1.743 419 HD2 PRO 575 1HD PRO 575 17.144 15.572 -3.097 420 HD3 PRO 575 2HD PRO 575 16.634 15.843 -1.418 421 H THR 576 H THR 576 15.237 16.369 -5.084 422 HA THR 576 HA THR 576 14.592 18.582 -6.884 423 HB THR 576 HB THR 576 15.581 16.987 -8.636 424 HG1 THR 576 HG1 THR 576 17.132 15.510 -7.441 425 HG21 THR 576 3HG2 THR 576 16.725 18.869 -6.977 426 HG22 THR 576 1HG2 THR 576 17.481 18.154 -8.401 427 HG23 THR 576 2HG2 THR 576 17.795 17.478 -6.803 428 H LEU 577 H LEU 577 13.946 15.084 -6.624 429 HA LEU 577 HA LEU 577 11.692 15.354 -8.449 430 HB2 LEU 577 1HB LEU 577 12.885 12.936 -7.100 431 HB3 LEU 577 2HB LEU 577 11.554 12.894 -8.254 432 HG LEU 577 HG LEU 577 13.434 12.264 -9.491 433 HD11 LEU 577 1HD1 LEU 577 12.038 14.451 -10.202 434 HD12 LEU 577 2HD1 LEU 577 13.292 13.721 -11.203 435 HD13 LEU 577 3HD1 LEU 577 13.672 15.115 -10.192 436 HD21 LEU 577 3HD2 LEU 577 14.885 13.573 -7.550 437 HD22 LEU 577 1HD2 LEU 577 15.190 14.530 -8.999 438 HD23 LEU 577 2HD2 LEU 577 15.542 12.802 -8.995 439 H ALA 578 H ALA 578 11.872 16.306 -5.522 440 HA ALA 578 HA ALA 578 10.195 14.857 -3.870 441 HB1 ALA 578 3HB ALA 578 11.533 17.056 -3.462 442 HB2 ALA 578 1HB ALA 578 10.014 17.837 -3.902 443 HB3 ALA 578 2HB ALA 578 10.072 16.729 -2.531 444 H GLY 579 H GLY 579 9.373 17.088 -6.473 445 HA2 GLY 579 1HA GLY 579 6.598 17.243 -5.928 446 HA3 GLY 579 2HA GLY 579 7.367 17.609 -7.465 447 H LYS 580 H LYS 580 8.372 15.304 -8.337 448 HA LYS 580 HA LYS 580 6.118 13.904 -9.274 449 HB2 LYS 580 1HB LYS 580 9.047 13.159 -9.301 450 HB3 LYS 580 2HB LYS 580 7.798 12.277 -10.170 451 HG2 LYS 580 1HG LYS 580 7.473 13.974 -11.697 452 HG3 LYS 580 2HG LYS 580 8.130 15.209 -10.621 453 HD2 LYS 580 1HD LYS 580 9.904 15.001 -12.031 454 HD3 LYS 580 2HD LYS 580 10.317 13.716 -10.893 455 HE2 LYS 580 1HE LYS 580 9.793 12.055 -12.368 456 HE3 LYS 580 2HE LYS 580 8.566 13.020 -13.187 457 HZ1 LYS 580 3HZ LYS 580 10.464 14.367 -14.094 458 HZ2 LYS 580 1HZ LYS 580 10.347 12.786 -14.686 459 HZ3 LYS 580 2HZ LYS 580 11.506 13.167 -13.514 460 H ILE 581 H ILE 581 8.505 13.121 -6.777 461 HA ILE 581 HA ILE 581 7.639 10.529 -6.192 462 HB ILE 581 HB ILE 581 8.857 12.564 -4.321 463 HG12 ILE 581 1HG1 ILE 581 10.331 10.271 -5.557 464 HG13 ILE 581 2HG1 ILE 581 10.051 11.722 -6.512 465 HG21 ILE 581 1HG2 ILE 581 9.506 10.642 -2.953 466 HG22 ILE 581 2HG2 ILE 581 7.754 10.775 -3.094 467 HG23 ILE 581 3HG2 ILE 581 8.625 9.571 -4.043 468 HD11 ILE 581 3HD1 ILE 581 11.515 11.544 -3.891 469 HD12 ILE 581 1HD1 ILE 581 12.215 11.835 -5.484 470 HD13 ILE 581 2HD1 ILE 581 11.161 13.044 -4.749 471 H THR 582 H THR 582 6.884 13.514 -4.383 472 HA THR 582 HA THR 582 4.962 12.413 -2.697 473 HB THR 582 HB THR 582 6.019 14.716 -2.521 474 HG1 THR 582 HG1 THR 582 3.235 14.987 -2.260 475 HG21 THR 582 3HG2 THR 582 3.794 15.402 -4.446 476 HG22 THR 582 1HG2 THR 582 5.523 15.499 -4.782 477 HG23 THR 582 2HG2 THR 582 4.796 16.565 -3.579 478 H GLY 583 H GLY 583 4.693 13.580 -5.993 479 HA2 GLY 583 1HA GLY 583 1.890 13.777 -6.148 480 HA3 GLY 583 2HA GLY 583 2.970 13.507 -7.508 481 H MET 584 H MET 584 3.956 11.127 -7.355 482 HA MET 584 HA MET 584 1.822 9.386 -7.914 483 HB2 MET 584 1HB MET 584 4.666 8.618 -7.239 484 HB3 MET 584 2HB MET 584 3.502 7.655 -8.139 485 HG2 MET 584 1HG MET 584 3.583 9.110 -9.993 486 HG3 MET 584 2HG MET 584 4.444 10.344 -9.077 487 HE1 MET 584 3HE MET 584 7.944 8.720 -8.573 488 HE2 MET 584 1HE MET 584 7.196 10.307 -8.760 489 HE3 MET 584 2HE MET 584 6.564 9.170 -7.569 490 H LEU 585 H LEU 585 3.918 9.685 -5.071 491 HA LEU 585 HA LEU 585 2.924 7.480 -3.650 492 HB2 LEU 585 1HB LEU 585 4.418 9.949 -2.977 493 HB3 LEU 585 2HB LEU 585 3.638 9.094 -1.647 494 HG LEU 585 HG LEU 585 4.942 7.125 -2.067 495 HD11 LEU 585 1HD1 LEU 585 6.839 7.584 -3.906 496 HD12 LEU 585 2HD1 LEU 585 5.504 8.484 -4.625 497 HD13 LEU 585 3HD1 LEU 585 5.316 6.768 -4.263 498 HD21 LEU 585 3HD2 LEU 585 6.608 8.000 -0.892 499 HD22 LEU 585 1HD2 LEU 585 6.025 9.611 -1.313 500 HD23 LEU 585 2HD2 LEU 585 7.234 8.819 -2.324 501 H LEU 586 H LEU 586 1.708 10.725 -4.057 502 HA LEU 586 HA LEU 586 -0.234 10.505 -1.938 503 HB2 LEU 586 1HB LEU 586 0.623 12.677 -2.423 504 HB3 LEU 586 2HB LEU 586 0.200 12.525 -4.127 505 HG LEU 586 HG LEU 586 -2.023 12.390 -2.171 506 HD11 LEU 586 1HD1 LEU 586 -1.604 14.333 -1.192 507 HD12 LEU 586 2HD1 LEU 586 -1.686 15.115 -2.771 508 HD13 LEU 586 3HD1 LEU 586 -0.137 14.542 -2.150 509 HD21 LEU 586 3HD2 LEU 586 -1.547 13.111 -4.982 510 HD22 LEU 586 1HD2 LEU 586 -2.729 14.109 -4.135 511 HD23 LEU 586 2HD2 LEU 586 -2.951 12.361 -4.220 512 H GLU 587 H GLU 587 -0.040 9.623 -5.241 513 HA GLU 587 HA GLU 587 -2.862 9.674 -5.774 514 HB2 GLU 587 1HB GLU 587 -0.795 9.724 -7.421 515 HB3 GLU 587 2HB GLU 587 -0.978 7.977 -7.351 516 HG2 GLU 587 1HG GLU 587 -3.329 9.719 -7.952 517 HG3 GLU 587 2HG GLU 587 -2.169 9.307 -9.214 518 H ILE 588 H ILE 588 -0.506 7.018 -5.413 519 HA ILE 588 HA ILE 588 -1.987 4.808 -5.525 520 HB ILE 588 HB ILE 588 -0.682 4.152 -3.260 521 HG12 ILE 588 1HG1 ILE 588 1.147 6.223 -4.428 522 HG13 ILE 588 2HG1 ILE 588 -0.020 6.681 -3.192 523 HG21 ILE 588 1HG2 ILE 588 1.357 3.917 -4.970 524 HG22 ILE 588 2HG2 ILE 588 -0.068 2.880 -5.030 525 HG23 ILE 588 3HG2 ILE 588 0.064 4.262 -6.119 526 HD11 ILE 588 3HD1 ILE 588 2.033 4.507 -2.869 527 HD12 ILE 588 1HD1 ILE 588 2.231 6.168 -2.311 528 HD13 ILE 588 2HD1 ILE 588 0.959 5.153 -1.629 529 H ASP 589 H ASP 589 -1.660 6.546 -2.423 530 HA ASP 589 HA ASP 589 -4.351 6.682 -1.787 531 HB2 ASP 589 1HB ASP 589 -3.252 4.019 -1.461 532 HB3 ASP 589 2HB ASP 589 -3.831 4.659 0.074 533 H ASN 590 H ASN 590 -4.194 8.406 -0.520 534 HA ASN 590 HA ASN 590 -1.993 9.227 0.931 535 HB2 ASN 590 1HB ASN 590 -4.927 9.814 1.334 536 HB3 ASN 590 2HB ASN 590 -3.657 10.623 2.246 537 HD21 ASN 590 2HD2 ASN 590 -5.677 11.113 -0.163 538 HD22 ASN 590 1HD2 ASN 590 -4.738 12.140 -1.187 539 H SER 591 H SER 591 -4.827 7.426 2.096 540 HA SER 591 HA SER 591 -4.218 7.261 4.777 541 HB2 SER 591 1HB SER 591 -6.213 6.276 3.307 542 HB3 SER 591 2HB SER 591 -5.266 4.796 3.466 543 HG SER 591 HG SER 591 -6.843 5.142 5.157 544 H GLU 592 H GLU 592 -3.025 5.241 2.128 545 HA GLU 592 HA GLU 592 -1.620 3.377 3.690 546 HB2 GLU 592 1HB GLU 592 -2.168 3.172 1.242 547 HB3 GLU 592 2HB GLU 592 -0.866 4.308 0.918 548 HG2 GLU 592 1HG GLU 592 0.694 2.724 2.049 549 HG3 GLU 592 2HG GLU 592 -0.634 1.568 2.135 550 H LEU 593 H LEU 593 -0.721 6.535 2.424 551 HA LEU 593 HA LEU 593 2.033 6.379 3.071 552 HB2 LEU 593 1HB LEU 593 0.596 8.986 3.056 553 HB3 LEU 593 2HB LEU 593 2.179 8.572 2.403 554 HG LEU 593 HG LEU 593 -0.505 7.935 1.183 555 HD11 LEU 593 1HD1 LEU 593 0.902 10.267 1.087 556 HD12 LEU 593 2HD1 LEU 593 -0.224 9.710 -0.151 557 HD13 LEU 593 3HD1 LEU 593 1.506 9.420 -0.337 558 HD21 LEU 593 3HD2 LEU 593 0.604 6.807 -0.558 559 HD22 LEU 593 1HD2 LEU 593 1.295 6.160 0.930 560 HD23 LEU 593 2HD2 LEU 593 2.191 7.352 -0.012 561 H LEU 594 H LEU 594 -0.801 7.569 4.809 562 HA LEU 594 HA LEU 594 0.469 8.792 6.962 563 HB2 LEU 594 1HB LEU 594 -2.186 7.557 6.503 564 HB3 LEU 594 2HB LEU 594 -1.711 7.851 8.174 565 HG LEU 594 HG LEU 594 -1.898 9.943 6.008 566 HD11 LEU 594 1HD1 LEU 594 -4.072 9.942 6.454 567 HD12 LEU 594 2HD1 LEU 594 -3.672 10.510 8.074 568 HD13 LEU 594 3HD1 LEU 594 -3.867 8.784 7.769 569 HD21 LEU 594 3HD2 LEU 594 -1.849 11.309 8.313 570 HD22 LEU 594 1HD2 LEU 594 -0.400 10.940 7.378 571 HD23 LEU 594 2HD2 LEU 594 -0.834 9.939 8.764 572 H HIS 595 H HIS 595 0.217 5.465 6.149 573 HA HIS 595 HA HIS 595 1.105 4.671 8.837 574 HB2 HIS 595 1HB HIS 595 -0.856 3.575 7.244 575 HB3 HIS 595 2HB HIS 595 0.518 2.516 6.941 576 HD1 HIS 595 HD1 HIS 595 -2.188 3.060 9.269 577 HD2 HIS 595 HD2 HIS 595 1.631 1.437 9.464 578 HE1 HIS 595 HE1 HIS 595 -2.149 1.685 11.374 579 H MET 596 H MET 596 2.072 4.940 5.539 580 HA MET 596 HA MET 596 4.260 3.105 5.660 581 HB2 MET 596 1HB MET 596 2.945 4.362 3.630 582 HB3 MET 596 2HB MET 596 4.425 5.308 3.711 583 HG2 MET 596 1HG MET 596 5.650 3.680 2.812 584 HG3 MET 596 2HG MET 596 4.892 2.437 3.805 585 HE1 MET 596 3HE MET 596 2.272 4.441 1.065 586 HE2 MET 596 1HE MET 596 3.874 5.073 1.447 587 HE3 MET 596 2HE MET 596 3.596 4.247 -0.086 588 H LEU 597 H LEU 597 3.979 6.642 5.861 589 HA LEU 597 HA LEU 597 6.724 7.168 6.177 590 HB2 LEU 597 1HB LEU 597 6.126 9.341 6.505 591 HB3 LEU 597 2HB LEU 597 4.668 8.734 5.723 592 HG LEU 597 HG LEU 597 3.936 10.105 7.492 593 HD11 LEU 597 1HD1 LEU 597 2.413 8.661 8.220 594 HD12 LEU 597 2HD1 LEU 597 3.616 7.744 9.126 595 HD13 LEU 597 3HD1 LEU 597 3.343 7.394 7.419 596 HD21 LEU 597 3HD2 LEU 597 6.352 9.602 8.653 597 HD22 LEU 597 1HD2 LEU 597 5.252 8.711 9.705 598 HD23 LEU 597 2HD2 LEU 597 5.007 10.437 9.433 599 H GLU 598 H GLU 598 4.498 5.720 8.274 600 HA GLU 598 HA GLU 598 5.511 6.594 10.772 601 HB2 GLU 598 1HB GLU 598 4.097 4.008 10.097 602 HB3 GLU 598 2HB GLU 598 4.313 4.673 11.710 603 HG2 GLU 598 1HG GLU 598 3.014 6.681 10.942 604 HG3 GLU 598 2HG GLU 598 2.641 5.780 9.474 605 H SER 599 H SER 599 6.747 4.492 8.402 606 HA SER 599 HA SER 599 8.745 3.478 10.316 607 HB2 SER 599 1HB SER 599 6.984 1.863 9.077 608 HB3 SER 599 2HB SER 599 8.242 1.914 7.842 609 HG SER 599 HG SER 599 8.495 0.220 9.432 610 HA PRO 600 HA PRO 600 11.770 5.422 7.782 611 HB2 PRO 600 1HB PRO 600 13.934 3.927 8.455 612 HB3 PRO 600 2HB PRO 600 13.218 5.125 9.540 613 HG2 PRO 600 1HG PRO 600 12.863 2.152 9.501 614 HG3 PRO 600 2HG PRO 600 13.097 3.233 10.887 615 HD2 PRO 600 1HD PRO 600 10.663 2.284 10.174 616 HD3 PRO 600 2HD PRO 600 10.885 3.882 10.915 617 H GLU 601 H GLU 601 11.967 1.857 7.801 618 HA GLU 601 HA GLU 601 13.256 1.624 5.312 619 HB2 GLU 601 1HB GLU 601 11.583 -0.289 6.929 620 HB3 GLU 601 2HB GLU 601 12.291 -0.748 5.387 621 HG2 GLU 601 1HG GLU 601 14.516 -0.304 6.250 622 HG3 GLU 601 2HG GLU 601 13.828 0.218 7.787 623 H SER 602 H SER 602 10.031 2.384 6.113 624 HA SER 602 HA SER 602 8.912 1.475 3.597 625 HB2 SER 602 1HB SER 602 7.779 2.898 5.998 626 HB3 SER 602 2HB SER 602 6.849 2.721 4.510 627 HG SER 602 HG SER 602 6.354 0.834 5.277 628 H LEU 603 H LEU 603 9.297 4.621 5.232 629 HA LEU 603 HA LEU 603 8.461 6.267 3.179 630 HB2 LEU 603 1HB LEU 603 8.818 7.352 5.180 631 HB3 LEU 603 2HB LEU 603 10.390 6.595 5.429 632 HG LEU 603 HG LEU 603 11.388 8.065 3.774 633 HD11 LEU 603 1HD1 LEU 603 9.427 10.022 3.362 634 HD12 LEU 603 2HD1 LEU 603 8.654 8.477 3.014 635 HD13 LEU 603 3HD1 LEU 603 10.132 8.933 2.167 636 HD21 LEU 603 3HD2 LEU 603 10.554 10.310 4.993 637 HD22 LEU 603 1HD2 LEU 603 11.670 9.160 5.728 638 HD23 LEU 603 2HD2 LEU 603 9.955 9.106 6.134 639 H ARG 604 H ARG 604 11.874 5.536 3.930 640 HA ARG 604 HA ARG 604 13.009 6.662 1.679 641 HB2 ARG 604 1HB ARG 604 14.394 5.929 3.499 642 HB3 ARG 604 2HB ARG 604 13.882 4.261 3.286 643 HG2 ARG 604 1HG ARG 604 15.183 3.963 1.400 644 HG3 ARG 604 2HG ARG 604 15.275 5.693 1.067 645 HD2 ARG 604 1HD ARG 604 16.567 4.332 3.427 646 HD3 ARG 604 2HD ARG 604 17.397 4.717 1.920 647 HE ARG 604 HE ARG 604 16.127 6.978 3.165 648 HH11 ARG 604 1HH1 ARG 604 19.007 5.030 3.003 649 HH12 ARG 604 2HH1 ARG 604 20.045 6.283 3.598 650 HH21 ARG 604 1HH2 ARG 604 17.483 8.636 3.949 651 HH22 ARG 604 2HH2 ARG 604 19.177 8.333 4.137 652 H SER 605 H SER 605 11.724 3.391 2.105 653 HA SER 605 HA SER 605 12.513 2.289 -0.323 654 HB2 SER 605 1HB SER 605 11.597 0.817 1.294 655 HB3 SER 605 2HB SER 605 10.117 1.766 1.435 656 HG SER 605 HG SER 605 9.946 -0.194 0.150 657 H LYS 606 H LYS 606 9.451 3.927 0.467 658 HA LYS 606 HA LYS 606 8.268 3.783 -2.044 659 HB2 LYS 606 1HB LYS 606 8.024 5.790 0.187 660 HB3 LYS 606 2HB LYS 606 7.082 5.936 -1.291 661 HG2 LYS 606 1HG LYS 606 7.042 3.580 0.584 662 HG3 LYS 606 2HG LYS 606 5.819 4.850 0.493 663 HD2 LYS 606 1HD LYS 606 6.559 2.911 -1.699 664 HD3 LYS 606 2HD LYS 606 5.085 2.883 -0.728 665 HE2 LYS 606 1HE LYS 606 4.513 5.123 -1.623 666 HE3 LYS 606 2HE LYS 606 5.936 5.037 -2.661 667 HZ1 LYS 606 3HZ LYS 606 4.987 3.035 -3.680 668 HZ2 LYS 606 1HZ LYS 606 3.985 4.383 -3.881 669 HZ3 LYS 606 2HZ LYS 606 3.599 3.207 -2.729 670 H VAL 607 H VAL 607 10.168 6.477 -0.681 671 HA VAL 607 HA VAL 607 10.171 8.162 -2.863 672 HB VAL 607 HB VAL 607 12.458 7.688 -0.945 673 HG11 VAL 607 1HG1 VAL 607 13.408 8.920 -2.668 674 HG12 VAL 607 2HG1 VAL 607 11.920 9.812 -2.987 675 HG13 VAL 607 3HG1 VAL 607 12.871 10.169 -1.545 676 HG21 VAL 607 3HG2 VAL 607 11.361 8.885 0.596 677 HG22 VAL 607 1HG2 VAL 607 10.795 10.060 -0.591 678 HG23 VAL 607 2HG2 VAL 607 9.918 8.548 -0.359 679 H ASP 608 H ASP 608 12.485 5.560 -2.137 680 HA ASP 608 HA ASP 608 14.165 5.887 -4.327 681 HB2 ASP 608 1HB ASP 608 14.437 4.332 -2.306 682 HB3 ASP 608 2HB ASP 608 13.442 3.187 -3.201 683 H GLU 609 H GLU 609 11.364 3.702 -4.026 684 HA GLU 609 HA GLU 609 11.396 2.642 -6.581 685 HB2 GLU 609 1HB GLU 609 9.151 3.195 -4.659 686 HB3 GLU 609 2HB GLU 609 8.842 2.474 -6.232 687 HG2 GLU 609 1HG GLU 609 10.833 1.303 -4.323 688 HG3 GLU 609 2HG GLU 609 9.116 0.913 -4.240 689 H ALA 610 H ALA 610 9.568 5.484 -5.449 690 HA ALA 610 HA ALA 610 8.372 6.228 -7.815 691 HB1 ALA 610 3HB ALA 610 7.617 7.822 -6.472 692 HB2 ALA 610 1HB ALA 610 8.853 7.423 -5.278 693 HB3 ALA 610 2HB ALA 610 9.192 8.614 -6.534 694 H VAL 611 H VAL 611 11.445 7.563 -6.576 695 HA VAL 611 HA VAL 611 12.170 9.067 -8.760 696 HB VAL 611 HB VAL 611 14.027 7.473 -6.988 697 HG11 VAL 611 1HG1 VAL 611 15.725 9.112 -7.622 698 HG12 VAL 611 2HG1 VAL 611 15.126 8.236 -9.032 699 HG13 VAL 611 3HG1 VAL 611 14.578 9.883 -8.716 700 HG21 VAL 611 3HG2 VAL 611 13.636 10.374 -6.596 701 HG22 VAL 611 1HG2 VAL 611 12.286 9.333 -6.140 702 HG23 VAL 611 2HG2 VAL 611 13.874 9.089 -5.411 703 H ALA 612 H ALA 612 12.716 5.612 -8.222 704 HA ALA 612 HA ALA 612 14.303 5.110 -10.476 705 HB1 ALA 612 3HB ALA 612 13.076 3.588 -8.425 706 HB2 ALA 612 1HB ALA 612 12.666 2.843 -9.971 707 HB3 ALA 612 2HB ALA 612 14.356 3.103 -9.537 708 H VAL 613 H VAL 613 10.793 5.146 -10.062 709 HA VAL 613 HA VAL 613 10.139 4.154 -12.625 710 HB VAL 613 HB VAL 613 8.547 5.903 -10.747 711 HG11 VAL 613 1HG1 VAL 613 8.039 5.167 -13.481 712 HG12 VAL 613 2HG1 VAL 613 6.816 4.472 -12.414 713 HG13 VAL 613 3HG1 VAL 613 7.105 6.212 -12.410 714 HG21 VAL 613 3HG2 VAL 613 7.337 3.492 -10.744 715 HG22 VAL 613 1HG2 VAL 613 9.012 3.005 -11.004 716 HG23 VAL 613 2HG2 VAL 613 8.581 3.966 -9.589 717 H LEU 614 H LEU 614 10.662 7.416 -11.381 718 HA LEU 614 HA LEU 614 9.752 8.937 -13.493 719 HB2 LEU 614 1HB LEU 614 12.297 9.526 -12.003 720 HB3 LEU 614 2HB LEU 614 11.181 10.676 -12.737 721 HG LEU 614 HG LEU 614 10.813 9.082 -10.211 722 HD11 LEU 614 1HD1 LEU 614 11.881 10.999 -9.584 723 HD12 LEU 614 2HD1 LEU 614 10.209 11.556 -9.534 724 HD13 LEU 614 3HD1 LEU 614 11.223 11.939 -10.924 725 HD21 LEU 614 3HD2 LEU 614 8.682 8.884 -11.041 726 HD22 LEU 614 1HD2 LEU 614 8.792 10.370 -11.984 727 HD23 LEU 614 2HD2 LEU 614 8.575 10.450 -10.235 728 H GLN 615 H GLN 615 12.637 6.993 -13.272 729 HA GLN 615 HA GLN 615 14.211 8.035 -15.280 730 HB2 GLN 615 1HB GLN 615 14.982 6.215 -13.886 731 HB3 GLN 615 2HB GLN 615 13.752 5.142 -14.540 732 HG2 GLN 615 1HG GLN 615 15.994 4.723 -15.461 733 HG3 GLN 615 2HG GLN 615 14.808 5.149 -16.693 734 HE21 GLN 615 2HE2 GLN 615 16.725 7.115 -14.453 735 HE22 GLN 615 1HE2 GLN 615 17.477 8.080 -15.672 736 H ALA 616 H ALA 616 11.391 5.938 -15.553 737 HA ALA 616 HA ALA 616 11.575 5.301 -18.265 738 HB1 ALA 616 3HB ALA 616 9.504 4.396 -18.043 739 HB2 ALA 616 1HB ALA 616 9.896 4.574 -16.333 740 HB3 ALA 616 2HB ALA 616 8.878 5.771 -17.133 741 H HIS 617 H HIS 617 10.406 8.187 -16.659 742 HA HIS 617 HA HIS 617 9.494 9.318 -19.195 743 HB2 HIS 617 1HB HIS 617 8.027 9.604 -17.261 744 HB3 HIS 617 2HB HIS 617 9.324 10.398 -16.374 745 HD1 HIS 617 HD1 HIS 617 8.756 12.794 -16.219 746 HD2 HIS 617 HD2 HIS 617 7.853 11.238 -19.963 747 HE1 HIS 617 HE1 HIS 617 7.927 14.743 -17.574 748 H GLN 618 H GLN 618 11.270 10.749 -16.461 749 HA GLN 618 HA GLN 618 13.577 11.362 -18.015 750 HB2 GLN 618 1HB GLN 618 13.356 13.707 -18.266 751 HB3 GLN 618 2HB GLN 618 11.856 13.014 -18.868 752 HG2 GLN 618 1HG GLN 618 10.980 14.673 -17.614 753 HG3 GLN 618 2HG GLN 618 11.105 13.441 -16.359 754 HE21 GLN 618 2HE2 GLN 618 13.285 15.795 -17.886 755 HE22 GLN 618 1HE2 GLN 618 13.911 16.429 -16.406 756 H ALA 619 H ALA 619 15.271 12.180 -16.771 757 HA ALA 619 HA ALA 619 14.716 12.329 -13.879 758 HB1 ALA 619 3HB ALA 619 15.980 10.344 -14.381 759 HB2 ALA 619 1HB ALA 619 17.164 11.282 -15.291 760 HB3 ALA 619 2HB ALA 619 17.024 11.493 -13.545 761 H LYS 620 H LYS 620 14.331 14.651 -14.390 762 HA LYS 620 HA LYS 620 14.957 16.836 -14.313 763 HB2 LYS 620 1HB LYS 620 17.269 15.438 -13.026 764 HB3 LYS 620 2HB LYS 620 17.387 17.161 -13.357 765 HG2 LYS 620 1HG LYS 620 15.133 15.932 -11.794 766 HG3 LYS 620 2HG LYS 620 16.611 16.554 -11.055 767 HD2 LYS 620 1HD LYS 620 15.096 18.310 -12.927 768 HD3 LYS 620 2HD LYS 620 14.463 18.063 -11.298 769 HE2 LYS 620 1HE LYS 620 16.643 18.773 -10.381 770 HE3 LYS 620 2HE LYS 620 17.207 19.088 -12.021 771 HZ1 LYS 620 3HZ LYS 620 15.750 20.866 -12.262 772 HZ2 LYS 620 1HZ LYS 620 16.306 21.037 -10.673 773 HZ3 LYS 620 2HZ LYS 620 14.773 20.386 -10.966 774 H GLU 621 H GLU 621 15.528 15.189 -16.720 775 HA GLU 621 HA GLU 621 16.486 15.428 -18.769 776 HB2 GLU 621 1HB GLU 621 17.012 18.221 -17.738 777 HB3 GLU 621 2HB GLU 621 17.212 17.719 -19.411 778 HG2 GLU 621 1HG GLU 621 14.627 17.666 -17.870 779 HG3 GLU 621 2HG GLU 621 15.102 18.896 -19.040 780 H ALA 622 H ALA 622 18.073 14.260 -16.762 781 HA ALA 622 HA ALA 622 20.678 14.607 -17.948 782 HB1 ALA 622 3HB ALA 622 21.170 16.246 -16.435 783 HB2 ALA 622 1HB ALA 622 20.074 15.602 -15.212 784 HB3 ALA 622 2HB ALA 622 21.632 14.825 -15.498 785 H ALA 623 H ALA 623 20.994 12.522 -18.434 786 HA ALA 623 HA ALA 623 19.990 10.304 -17.100 787 HB1 ALA 623 3HB ALA 623 21.392 10.684 -19.392 788 HB2 ALA 623 1HB ALA 623 22.598 9.889 -18.379 789 HB3 ALA 623 2HB ALA 623 21.046 9.108 -18.680 Start of MODEL 9 1 H1 ALA 64 1H ALA 64 0.583 -2.273 -0.239 2 HA ALA 64 HA ALA 64 0.553 0.358 -1.566 3 HB1 ALA 64 3HB ALA 64 2.485 0.991 -0.625 4 HB2 ALA 64 1HB ALA 64 2.123 -0.244 0.581 5 HB3 ALA 64 2HB ALA 64 3.195 -0.617 -0.769 6 H PHE 65 H PHE 65 2.902 0.240 -2.926 7 HA PHE 65 HA PHE 65 2.251 -1.589 -5.045 8 HB2 PHE 65 1HB PHE 65 4.007 0.738 -4.680 9 HB3 PHE 65 2HB PHE 65 4.667 -0.497 -5.747 10 HD1 PHE 65 HD2 PHE 65 1.530 1.424 -5.157 11 HD2 PHE 65 HD1 PHE 65 4.097 -0.469 -7.976 12 HE1 PHE 65 HE2 PHE 65 0.130 2.271 -6.995 13 HE2 PHE 65 HE1 PHE 65 2.702 0.376 -9.819 14 HZ PHE 65 HZ PHE 65 0.715 1.747 -9.329 15 H SER 66 H SER 66 3.547 -3.254 -5.863 16 HA SER 66 HA SER 66 5.553 -4.289 -3.967 17 HB2 SER 66 1HB SER 66 4.805 -6.472 -4.310 18 HB3 SER 66 2HB SER 66 3.298 -5.555 -4.326 19 HG SER 66 HG SER 66 3.163 -6.760 -6.119 20 H ARG 67 H ARG 67 4.981 -3.168 -7.100 21 HA ARG 67 HA ARG 67 7.667 -3.980 -7.910 22 HB2 ARG 67 1HB ARG 67 5.202 -4.422 -9.604 23 HB3 ARG 67 2HB ARG 67 6.856 -4.600 -10.172 24 HG2 ARG 67 1HG ARG 67 5.695 -6.191 -7.900 25 HG3 ARG 67 2HG ARG 67 5.704 -6.733 -9.580 26 HD2 ARG 67 1HD ARG 67 8.202 -6.410 -9.550 27 HD3 ARG 67 2HD ARG 67 8.072 -6.166 -7.809 28 HE ARG 67 HE ARG 67 6.803 -8.575 -8.495 29 HH11 ARG 67 1HH1 ARG 67 9.985 -7.174 -8.321 30 HH12 ARG 67 2HH1 ARG 67 10.776 -8.686 -8.019 31 HH21 ARG 67 1HH2 ARG 67 7.833 -10.571 -8.098 32 HH22 ARG 67 2HH2 ARG 67 9.551 -10.618 -7.894 33 H GLN 68 H GLN 68 7.860 -2.954 -10.364 34 HA GLN 68 HA GLN 68 8.208 -0.245 -10.008 35 HB2 GLN 68 1HB GLN 68 9.202 -1.587 -11.844 36 HB3 GLN 68 2HB GLN 68 7.631 -1.629 -12.633 37 HG2 GLN 68 1HG GLN 68 8.778 0.063 -13.734 38 HG3 GLN 68 2HG GLN 68 7.740 0.919 -12.595 39 HE21 GLN 68 2HE2 GLN 68 10.410 1.484 -13.925 40 HE22 GLN 68 1HE2 GLN 68 11.423 1.993 -12.622 41 H LEU 69 H LEU 69 7.050 1.598 -10.494 42 HA LEU 69 HA LEU 69 4.168 1.189 -10.938 43 HB2 LEU 69 1HB LEU 69 3.892 3.395 -9.821 44 HB3 LEU 69 2HB LEU 69 4.541 2.126 -8.785 45 HG LEU 69 HG LEU 69 6.845 3.172 -9.394 46 HD11 LEU 69 1HD1 LEU 69 6.620 5.656 -9.683 47 HD12 LEU 69 2HD1 LEU 69 4.926 5.383 -10.089 48 HD13 LEU 69 3HD1 LEU 69 6.197 4.691 -11.097 49 HD21 LEU 69 3HD2 LEU 69 4.811 3.920 -7.408 50 HD22 LEU 69 1HD2 LEU 69 6.123 5.081 -7.616 51 HD23 LEU 69 2HD2 LEU 69 6.485 3.409 -7.187 52 H ASN 70 H ASN 70 3.276 3.584 -11.642 53 HA ASN 70 HA ASN 70 4.722 4.166 -14.139 54 HB2 ASN 70 1HB ASN 70 2.535 4.949 -15.012 55 HB3 ASN 70 2HB ASN 70 2.506 3.254 -14.536 56 HD21 ASN 70 2HD2 ASN 70 1.356 6.441 -13.863 57 HD22 ASN 70 1HD2 ASN 70 0.166 5.992 -12.694 58 H VAL 71 H VAL 71 5.309 6.218 -14.630 59 HA VAL 71 HA VAL 71 5.192 8.174 -12.499 60 HB VAL 71 HB VAL 71 7.266 7.802 -13.828 61 HG11 VAL 71 1HG1 VAL 71 7.466 8.539 -16.070 62 HG12 VAL 71 2HG1 VAL 71 6.021 7.528 -16.007 63 HG13 VAL 71 3HG1 VAL 71 5.869 9.285 -16.042 64 HG21 VAL 71 3HG2 VAL 71 7.924 10.055 -13.810 65 HG22 VAL 71 1HG2 VAL 71 6.301 10.621 -14.206 66 HG23 VAL 71 2HG2 VAL 71 6.638 9.958 -12.607 67 H ASN 72 H ASN 72 3.287 7.376 -15.145 68 HA ASN 72 HA ASN 72 2.476 9.963 -15.996 69 HB2 ASN 72 1HB ASN 72 1.548 7.174 -16.424 70 HB3 ASN 72 2HB ASN 72 0.370 8.453 -16.704 71 HD21 ASN 72 2HD2 ASN 72 3.863 8.392 -17.249 72 HD22 ASN 72 1HD2 ASN 72 3.779 8.695 -18.948 73 H ALA 73 H ALA 73 1.904 8.247 -13.166 74 HA ALA 73 HA ALA 73 -0.754 8.879 -12.556 75 HB1 ALA 73 3HB ALA 73 1.188 7.471 -11.313 76 HB2 ALA 73 1HB ALA 73 1.135 8.916 -10.302 77 HB3 ALA 73 2HB ALA 73 -0.325 7.957 -10.548 78 H LYS 74 H LYS 74 -1.718 10.763 -12.220 79 HA LYS 74 HA LYS 74 -0.524 13.241 -12.388 80 HB2 LYS 74 1HB LYS 74 -2.618 14.057 -11.154 81 HB3 LYS 74 2HB LYS 74 -2.854 13.187 -12.663 82 HG2 LYS 74 1HG LYS 74 -3.721 11.334 -11.622 83 HG3 LYS 74 2HG LYS 74 -2.903 11.677 -10.095 84 HD2 LYS 74 1HD LYS 74 -5.118 12.189 -9.621 85 HD3 LYS 74 2HD LYS 74 -4.431 13.765 -10.021 86 HE2 LYS 74 1HE LYS 74 -5.404 13.744 -12.176 87 HE3 LYS 74 2HE LYS 74 -5.809 12.032 -12.057 88 HZ1 LYS 74 3HZ LYS 74 -7.800 13.181 -11.688 89 HZ2 LYS 74 1HZ LYS 74 -7.076 14.309 -10.655 90 HZ3 LYS 74 2HZ LYS 74 -7.291 12.711 -10.144 91 HA PRO 75 HA PRO 75 1.407 14.125 -8.548 92 HB2 PRO 75 1HB PRO 75 0.887 16.774 -8.261 93 HB3 PRO 75 2HB PRO 75 2.033 16.143 -9.449 94 HG2 PRO 75 1HG PRO 75 -0.808 17.003 -9.831 95 HG3 PRO 75 2HG PRO 75 0.605 17.325 -10.853 96 HD2 PRO 75 1HD PRO 75 -1.206 15.398 -11.437 97 HD3 PRO 75 2HD PRO 75 0.514 15.249 -11.851 98 H PHE 76 H PHE 76 -0.984 16.605 -8.088 99 HA PHE 76 HA PHE 76 -2.805 15.154 -6.488 100 HB2 PHE 76 1HB PHE 76 -2.177 15.908 -4.273 101 HB3 PHE 76 2HB PHE 76 -0.825 15.038 -4.991 102 HD1 PHE 76 HD1 PHE 76 0.896 16.568 -6.279 103 HD2 PHE 76 HD2 PHE 76 -1.760 17.911 -3.236 104 HE1 PHE 76 HE1 PHE 76 2.364 18.496 -5.853 105 HE2 PHE 76 HE2 PHE 76 -0.297 19.841 -2.806 106 HZ PHE 76 HZ PHE 76 1.768 20.136 -4.115 107 H VAL 77 H VAL 77 -3.696 17.034 -4.733 108 HA VAL 77 HA VAL 77 -4.433 19.257 -6.519 109 HB VAL 77 HB VAL 77 -5.965 18.097 -4.188 110 HG11 VAL 77 1HG1 VAL 77 -7.771 19.633 -5.350 111 HG12 VAL 77 2HG1 VAL 77 -6.670 20.271 -4.127 112 HG13 VAL 77 3HG1 VAL 77 -6.341 20.541 -5.839 113 HG21 VAL 77 3HG2 VAL 77 -6.533 18.016 -7.150 114 HG22 VAL 77 1HG2 VAL 77 -5.964 16.664 -6.172 115 HG23 VAL 77 2HG2 VAL 77 -7.560 17.354 -5.879 116 HA PRO 78 HA PRO 78 -1.921 21.247 -3.211 117 HB2 PRO 78 1HB PRO 78 -0.845 23.116 -4.861 118 HB3 PRO 78 2HB PRO 78 -0.168 21.494 -4.675 119 HG2 PRO 78 1HG PRO 78 -1.947 22.569 -6.829 120 HG3 PRO 78 2HG PRO 78 -0.520 21.526 -6.973 121 HD2 PRO 78 1HD PRO 78 -3.048 20.561 -7.091 122 HD3 PRO 78 2HD PRO 78 -1.698 19.624 -6.418 123 H ASN 79 H ASN 79 -1.764 23.714 -2.777 124 HA ASN 79 HA ASN 79 -4.388 24.933 -3.342 125 HB2 ASN 79 1HB ASN 79 -2.787 24.801 -0.807 126 HB3 ASN 79 2HB ASN 79 -3.902 26.137 -1.076 127 HD21 ASN 79 2HD2 ASN 79 -6.056 25.141 -2.153 128 HD22 ASN 79 1HD2 ASN 79 -6.765 23.899 -1.184 129 H VAL 80 H VAL 80 -1.881 25.224 -4.825 130 HA VAL 80 HA VAL 80 -1.857 28.090 -4.985 131 HB VAL 80 HB VAL 80 -0.264 27.715 -3.127 132 HG11 VAL 80 1HG1 VAL 80 1.815 26.580 -3.464 133 HG12 VAL 80 2HG1 VAL 80 0.514 25.483 -3.934 134 HG13 VAL 80 3HG1 VAL 80 1.455 26.319 -5.170 135 HG21 VAL 80 3HG2 VAL 80 1.589 28.594 -5.206 136 HG22 VAL 80 1HG2 VAL 80 0.003 29.360 -5.302 137 HG23 VAL 80 2HG2 VAL 80 0.946 29.469 -3.816 138 H HIS 81 H HIS 81 -1.392 28.736 -7.008 139 HA HIS 81 HA HIS 81 -0.400 26.690 -8.875 140 HB2 HIS 81 1HB HIS 81 -1.537 27.936 -10.637 141 HB3 HIS 81 2HB HIS 81 -2.666 27.547 -9.343 142 HD1 HIS 81 HD1 HIS 81 -3.161 29.598 -7.640 143 HD2 HIS 81 HD2 HIS 81 -1.429 30.576 -11.287 144 HE1 HIS 81 HE1 HIS 81 -3.541 32.068 -7.924 145 H ALA 82 H ALA 82 1.221 28.490 -7.153 146 HA ALA 82 HA ALA 82 2.590 30.072 -9.221 147 HB1 ALA 82 3HB ALA 82 1.725 31.056 -6.952 148 HB2 ALA 82 1HB ALA 82 3.220 30.362 -6.323 149 HB3 ALA 82 2HB ALA 82 3.279 31.561 -7.616 150 H1 GLY 541 1H GLY 541 8.467 23.401 14.439 151 HA2 GLY 541 1HA GLY 541 7.270 24.889 16.508 152 HA3 GLY 541 2HA GLY 541 6.040 24.487 15.320 153 H GLN 542 H GLN 542 5.252 23.412 17.403 154 HA GLN 542 HA GLN 542 6.348 20.680 17.536 155 HB2 GLN 542 1HB GLN 542 5.471 20.591 19.856 156 HB3 GLN 542 2HB GLN 542 6.721 21.808 19.638 157 HG2 GLN 542 1HG GLN 542 5.026 23.549 19.522 158 HG3 GLN 542 2HG GLN 542 3.759 22.337 19.704 159 HE21 GLN 542 2HE2 GLN 542 6.782 23.275 21.316 160 HE22 GLN 542 1HE2 GLN 542 6.154 23.178 22.922 161 H GLU 543 H GLU 543 4.510 21.302 15.584 162 HA GLU 543 HA GLU 543 2.239 19.675 16.441 163 HB2 GLU 543 1HB GLU 543 0.696 21.219 15.165 164 HB3 GLU 543 2HB GLU 543 1.309 21.844 16.689 165 HG2 GLU 543 1HG GLU 543 2.622 23.419 15.681 166 HG3 GLU 543 2HG GLU 543 2.785 22.490 14.192 167 HA PRO 544 HA PRO 544 4.076 18.503 12.317 168 HB2 PRO 544 1HB PRO 544 4.410 15.879 12.930 169 HB3 PRO 544 2HB PRO 544 5.628 17.111 13.281 170 HG2 PRO 544 1HG PRO 544 3.593 15.887 15.103 171 HG3 PRO 544 2HG PRO 544 5.301 16.244 15.414 172 HD2 PRO 544 1HD PRO 544 3.297 17.842 16.286 173 HD3 PRO 544 2HD PRO 544 4.890 18.474 15.825 174 H LEU 545 H LEU 545 3.345 16.442 11.009 175 HA LEU 545 HA LEU 545 0.593 16.665 10.559 176 HB2 LEU 545 1HB LEU 545 2.135 15.921 8.845 177 HB3 LEU 545 2HB LEU 545 2.505 14.470 9.775 178 HG LEU 545 HG LEU 545 0.189 13.696 9.445 179 HD11 LEU 545 1HD1 LEU 545 -1.425 15.022 8.702 180 HD12 LEU 545 2HD1 LEU 545 -0.493 15.439 7.264 181 HD13 LEU 545 3HD1 LEU 545 -0.279 16.363 8.751 182 HD21 LEU 545 3HD2 LEU 545 2.173 14.085 7.340 183 HD22 LEU 545 1HD2 LEU 545 0.541 13.810 6.732 184 HD23 LEU 545 2HD2 LEU 545 1.289 12.634 7.813 185 H THR 546 H THR 546 -1.152 15.366 11.058 186 HA THR 546 HA THR 546 -0.753 13.077 12.820 187 HB THR 546 HB THR 546 -2.792 15.089 13.685 188 HG1 THR 546 HG1 THR 546 -1.299 16.420 14.357 189 HG21 THR 546 3HG2 THR 546 -1.165 13.570 15.613 190 HG22 THR 546 1HG2 THR 546 -2.181 12.594 14.553 191 HG23 THR 546 2HG2 THR 546 -2.907 13.843 15.565 192 H ALA 547 H ALA 547 -2.421 11.587 12.773 193 HA ALA 547 HA ALA 547 -3.996 11.485 10.449 194 HB1 ALA 547 3HB ALA 547 -3.980 9.901 12.992 195 HB2 ALA 547 1HB ALA 547 -5.184 9.604 11.738 196 HB3 ALA 547 2HB ALA 547 -3.468 9.416 11.376 197 H SER 548 H SER 548 -4.604 12.795 13.611 198 HA SER 548 HA SER 548 -7.376 12.818 13.693 199 HB2 SER 548 1HB SER 548 -5.682 15.124 14.653 200 HB3 SER 548 2HB SER 548 -7.202 14.534 15.326 201 HG SER 548 HG SER 548 -6.119 13.148 16.466 202 H MET 549 H MET 549 -5.158 14.948 11.986 203 HA MET 549 HA MET 549 -6.971 16.952 11.250 204 HB2 MET 549 1HB MET 549 -4.588 15.962 9.675 205 HB3 MET 549 2HB MET 549 -5.376 17.524 9.497 206 HG2 MET 549 1HG MET 549 -4.786 17.794 12.019 207 HG3 MET 549 2HG MET 549 -3.602 16.534 11.676 208 HE1 MET 549 3HE MET 549 -2.550 16.679 9.219 209 HE2 MET 549 1HE MET 549 -3.178 18.015 8.253 210 HE3 MET 549 2HE MET 549 -1.515 18.057 8.839 211 H LEU 550 H LEU 550 -5.693 14.464 9.039 212 HA LEU 550 HA LEU 550 -7.638 14.779 7.077 213 HB2 LEU 550 1HB LEU 550 -5.801 12.543 7.822 214 HB3 LEU 550 2HB LEU 550 -7.007 12.305 6.559 215 HG LEU 550 HG LEU 550 -5.917 14.493 5.573 216 HD11 LEU 550 1HD1 LEU 550 -3.767 13.354 7.344 217 HD12 LEU 550 2HD1 LEU 550 -4.401 14.999 7.333 218 HD13 LEU 550 3HD1 LEU 550 -3.444 14.415 5.972 219 HD21 LEU 550 3HD2 LEU 550 -4.924 13.147 4.027 220 HD22 LEU 550 1HD2 LEU 550 -5.932 11.948 4.837 221 HD23 LEU 550 2HD2 LEU 550 -4.220 12.079 5.242 222 H ALA 551 H ALA 551 -7.763 13.091 10.095 223 HA ALA 551 HA ALA 551 -9.869 11.304 9.558 224 HB1 ALA 551 3HB ALA 551 -10.161 11.208 11.988 225 HB2 ALA 551 1HB ALA 551 -8.461 11.095 11.530 226 HB3 ALA 551 2HB ALA 551 -9.104 12.609 12.167 227 H SER 552 H SER 552 -9.924 14.544 11.044 228 HA SER 552 HA SER 552 -12.831 14.617 10.721 229 HB2 SER 552 1HB SER 552 -10.885 16.320 12.274 230 HB3 SER 552 2HB SER 552 -12.565 16.800 12.038 231 HG SER 552 HG SER 552 -11.507 14.919 13.708 232 H ALA 553 H ALA 553 -10.884 14.863 8.484 233 HA ALA 553 HA ALA 553 -11.727 17.514 7.508 234 HB1 ALA 553 3HB ALA 553 -9.474 17.847 7.563 235 HB2 ALA 553 1HB ALA 553 -9.102 16.137 7.343 236 HB3 ALA 553 2HB ALA 553 -9.611 17.114 5.965 237 HA PRO 554 HA PRO 554 -13.652 15.600 4.061 238 HB2 PRO 554 1HB PRO 554 -13.065 17.313 2.038 239 HB3 PRO 554 2HB PRO 554 -14.211 17.703 3.325 240 HG2 PRO 554 1HG PRO 554 -11.342 18.508 3.034 241 HG3 PRO 554 2HG PRO 554 -12.732 19.484 3.545 242 HD2 PRO 554 1HD PRO 554 -10.964 18.432 5.306 243 HD3 PRO 554 2HD PRO 554 -12.681 18.658 5.696 244 HA PRO 555 HA PRO 555 -10.909 13.128 1.673 245 HB2 PRO 555 1HB PRO 555 -12.214 12.899 -0.696 246 HB3 PRO 555 2HB PRO 555 -12.756 12.093 0.780 247 HG2 PRO 555 1HG PRO 555 -13.741 14.632 -0.462 248 HG3 PRO 555 2HG PRO 555 -14.671 13.302 0.253 249 HD2 PRO 555 1HD PRO 555 -14.170 15.608 1.581 250 HD3 PRO 555 2HD PRO 555 -14.314 14.043 2.407 251 H GLN 556 H GLN 556 -11.553 16.331 0.769 252 HA GLN 556 HA GLN 556 -9.695 16.288 -1.485 253 HB2 GLN 556 1HB GLN 556 -11.312 18.585 -0.368 254 HB3 GLN 556 2HB GLN 556 -10.387 18.597 -1.864 255 HG2 GLN 556 1HG GLN 556 -11.930 16.555 -2.453 256 HG3 GLN 556 2HG GLN 556 -12.984 17.295 -1.248 257 HE21 GLN 556 2HE2 GLN 556 -12.049 17.280 -4.458 258 HE22 GLN 556 1HE2 GLN 556 -12.796 18.755 -4.956 259 H GLU 557 H GLU 557 -10.096 17.854 1.676 260 HA GLU 557 HA GLU 557 -7.711 19.335 1.633 261 HB2 GLU 557 1HB GLU 557 -9.474 18.314 3.840 262 HB3 GLU 557 2HB GLU 557 -7.968 19.144 4.209 263 HG2 GLU 557 1HG GLU 557 -8.736 21.104 2.982 264 HG3 GLU 557 2HG GLU 557 -10.241 20.273 2.591 265 H GLN 558 H GLN 558 -8.312 15.981 2.150 266 HA GLN 558 HA GLN 558 -6.147 15.221 3.713 267 HB2 GLN 558 1HB GLN 558 -7.417 13.723 1.414 268 HB3 GLN 558 2HB GLN 558 -6.352 13.010 2.619 269 HG2 GLN 558 1HG GLN 558 -8.285 14.235 4.143 270 HG3 GLN 558 2HG GLN 558 -9.188 13.622 2.758 271 HE21 GLN 558 2HE2 GLN 558 -9.396 12.732 5.457 272 HE22 GLN 558 1HE2 GLN 558 -8.933 11.068 5.489 273 H LYS 559 H LYS 559 -6.245 14.779 0.179 274 HA LYS 559 HA LYS 559 -3.525 14.383 -0.176 275 HB2 LYS 559 1HB LYS 559 -3.916 15.019 -2.543 276 HB3 LYS 559 2HB LYS 559 -5.101 13.872 -1.932 277 HG2 LYS 559 1HG LYS 559 -6.593 15.881 -1.493 278 HG3 LYS 559 2HG LYS 559 -5.454 16.800 -2.481 279 HD2 LYS 559 1HD LYS 559 -6.051 15.726 -4.410 280 HD3 LYS 559 2HD LYS 559 -6.502 14.240 -3.571 281 HE2 LYS 559 1HE LYS 559 -8.537 15.268 -2.769 282 HE3 LYS 559 2HE LYS 559 -8.070 16.815 -3.474 283 HZ1 LYS 559 3HZ LYS 559 -9.251 16.142 -5.224 284 HZ2 LYS 559 1HZ LYS 559 -9.281 14.527 -4.721 285 HZ3 LYS 559 2HZ LYS 559 -7.951 15.120 -5.580 286 H GLN 560 H GLN 560 -5.336 17.365 0.104 287 HA GLN 560 HA GLN 560 -3.365 19.133 -0.854 288 HB2 GLN 560 1HB GLN 560 -5.641 19.518 1.087 289 HB3 GLN 560 2HB GLN 560 -4.610 20.837 0.551 290 HG2 GLN 560 1HG GLN 560 -5.463 20.832 -1.570 291 HG3 GLN 560 2HG GLN 560 -5.924 19.132 -1.498 292 HE21 GLN 560 2HE2 GLN 560 -6.642 21.791 0.717 293 HE22 GLN 560 1HE2 GLN 560 -8.359 21.688 0.566 294 H MET 561 H MET 561 -4.321 18.656 2.551 295 HA MET 561 HA MET 561 -2.051 19.894 3.631 296 HB2 MET 561 1HB MET 561 -3.731 17.745 4.932 297 HB3 MET 561 2HB MET 561 -2.724 18.932 5.751 298 HG2 MET 561 1HG MET 561 -4.162 20.717 5.079 299 HG3 MET 561 2HG MET 561 -5.095 19.638 4.045 300 HE1 MET 561 3HE MET 561 -6.190 17.055 6.691 301 HE2 MET 561 1HE MET 561 -7.302 17.832 5.563 302 HE3 MET 561 2HE MET 561 -5.689 17.363 5.027 303 H LEU 562 H LEU 562 -2.794 16.402 3.527 304 HA LEU 562 HA LEU 562 -0.364 15.457 4.435 305 HB2 LEU 562 1HB LEU 562 -2.522 14.189 3.916 306 HB3 LEU 562 2HB LEU 562 -1.921 14.089 2.262 307 HG LEU 562 HG LEU 562 -0.271 13.078 4.550 308 HD11 LEU 562 1HD1 LEU 562 -2.651 11.790 3.281 309 HD12 LEU 562 2HD1 LEU 562 -2.170 11.834 4.977 310 HD13 LEU 562 3HD1 LEU 562 -1.297 10.807 3.840 311 HD21 LEU 562 3HD2 LEU 562 -0.456 12.432 1.612 312 HD22 LEU 562 1HD2 LEU 562 0.560 11.566 2.765 313 HD23 LEU 562 2HD2 LEU 562 0.856 13.274 2.439 314 H GLY 563 H GLY 563 -1.346 15.883 1.029 315 HA2 GLY 563 1HA GLY 563 1.087 15.168 -0.135 316 HA3 GLY 563 2HA GLY 563 -0.101 16.238 -0.865 317 H GLU 564 H GLU 564 -0.099 18.469 0.524 318 HA GLU 564 HA GLU 564 2.165 19.846 -0.276 319 HB2 GLU 564 1HB GLU 564 0.088 20.464 1.814 320 HB3 GLU 564 2HB GLU 564 1.394 21.583 1.451 321 HG2 GLU 564 1HG GLU 564 -0.381 20.537 -0.718 322 HG3 GLU 564 2HG GLU 564 -0.874 21.899 0.287 323 H ARG 565 H ARG 565 1.466 18.292 2.807 324 HA ARG 565 HA ARG 565 3.806 19.289 4.118 325 HB2 ARG 565 1HB ARG 565 1.625 17.384 4.762 326 HB3 ARG 565 2HB ARG 565 3.143 17.163 5.622 327 HG2 ARG 565 1HG ARG 565 3.015 19.275 6.624 328 HG3 ARG 565 2HG ARG 565 1.778 19.829 5.494 329 HD2 ARG 565 1HD ARG 565 0.098 18.649 6.548 330 HD3 ARG 565 2HD ARG 565 1.219 17.486 7.256 331 HE ARG 565 HE ARG 565 1.402 18.852 9.072 332 HH11 ARG 565 1HH1 ARG 565 0.186 20.716 6.395 333 HH12 ARG 565 2HH1 ARG 565 -0.085 22.142 7.342 334 HH21 ARG 565 1HH2 ARG 565 1.051 20.723 10.329 335 HH22 ARG 565 2HH2 ARG 565 0.409 22.145 9.579 336 H LEU 566 H LEU 566 3.026 16.489 2.192 337 HA LEU 566 HA LEU 566 5.365 14.995 2.908 338 HB2 LEU 566 1HB LEU 566 3.006 14.608 1.314 339 HB3 LEU 566 2HB LEU 566 4.436 14.116 0.409 340 HG LEU 566 HG LEU 566 5.045 12.658 2.367 341 HD11 LEU 566 1HD1 LEU 566 3.938 13.162 4.251 342 HD12 LEU 566 2HD1 LEU 566 2.677 12.129 3.579 343 HD13 LEU 566 3HD1 LEU 566 2.579 13.879 3.384 344 HD21 LEU 566 3HD2 LEU 566 3.013 11.068 1.854 345 HD22 LEU 566 1HD2 LEU 566 4.224 11.424 0.622 346 HD23 LEU 566 2HD2 LEU 566 2.675 12.269 0.606 347 H PHE 567 H PHE 567 4.597 17.448 0.592 348 HA PHE 567 HA PHE 567 6.430 17.050 -1.415 349 HB2 PHE 567 1HB PHE 567 4.763 19.129 -0.621 350 HB3 PHE 567 2HB PHE 567 6.372 19.842 -0.591 351 HD1 PHE 567 HD1 PHE 567 7.803 18.838 -2.770 352 HD2 PHE 567 HD2 PHE 567 3.627 19.629 -2.539 353 HE1 PHE 567 HE1 PHE 567 7.724 19.118 -5.213 354 HE2 PHE 567 HE2 PHE 567 3.541 19.910 -4.981 355 HZ PHE 567 HZ PHE 567 5.591 19.654 -6.322 356 HA PRO 568 HA PRO 568 9.809 19.365 1.154 357 HB2 PRO 568 1HB PRO 568 9.291 19.790 3.784 358 HB3 PRO 568 2HB PRO 568 8.853 20.945 2.520 359 HG2 PRO 568 1HG PRO 568 7.146 18.909 3.900 360 HG3 PRO 568 2HG PRO 568 6.767 20.591 3.487 361 HD2 PRO 568 1HD PRO 568 5.896 18.496 2.009 362 HD3 PRO 568 2HD PRO 568 6.281 20.074 1.294 363 H LEU 569 H LEU 569 7.892 17.087 3.097 364 HA LEU 569 HA LEU 569 9.911 15.930 4.586 365 HB2 LEU 569 1HB LEU 569 7.345 15.540 4.574 366 HB3 LEU 569 2HB LEU 569 7.718 14.260 3.422 367 HG LEU 569 HG LEU 569 7.445 13.425 5.719 368 HD11 LEU 569 1HD1 LEU 569 9.073 11.861 5.497 369 HD12 LEU 569 2HD1 LEU 569 10.335 13.053 5.187 370 HD13 LEU 569 3HD1 LEU 569 9.210 12.608 3.905 371 HD21 LEU 569 3HD2 LEU 569 8.782 14.065 7.500 372 HD22 LEU 569 1HD2 LEU 569 8.474 15.596 6.681 373 HD23 LEU 569 2HD2 LEU 569 10.016 14.770 6.454 374 H ILE 570 H ILE 570 8.936 15.268 1.266 375 HA ILE 570 HA ILE 570 10.683 13.021 0.949 376 HB ILE 570 HB ILE 570 9.191 14.711 -1.054 377 HG12 ILE 570 1HG1 ILE 570 8.764 11.813 -0.344 378 HG13 ILE 570 2HG1 ILE 570 7.983 13.114 0.547 379 HG21 ILE 570 1HG2 ILE 570 9.776 12.905 -2.684 380 HG22 ILE 570 2HG2 ILE 570 11.131 13.920 -2.192 381 HG23 ILE 570 3HG2 ILE 570 10.944 12.305 -1.508 382 HD11 ILE 570 3HD1 ILE 570 6.937 11.864 -1.615 383 HD12 ILE 570 1HD1 ILE 570 6.487 13.480 -1.070 384 HD13 ILE 570 2HD1 ILE 570 7.678 13.282 -2.357 385 H GLN 571 H GLN 571 10.896 16.471 0.365 386 HA GLN 571 HA GLN 571 13.152 16.531 -1.279 387 HB2 GLN 571 1HB GLN 571 12.185 18.507 0.790 388 HB3 GLN 571 2HB GLN 571 13.495 18.836 -0.336 389 HG2 GLN 571 1HG GLN 571 12.060 18.792 -2.190 390 HG3 GLN 571 2HG GLN 571 10.765 18.027 -1.272 391 HE21 GLN 571 2HE2 GLN 571 12.808 20.819 -0.528 392 HE22 GLN 571 1HE2 GLN 571 11.510 21.944 -0.352 393 H ALA 572 H ALA 572 12.844 15.710 2.030 394 HA ALA 572 HA ALA 572 15.289 16.432 3.110 395 HB1 ALA 572 3HB ALA 572 14.107 13.765 3.751 396 HB2 ALA 572 1HB ALA 572 14.849 14.951 4.824 397 HB3 ALA 572 2HB ALA 572 13.236 15.239 4.172 398 H MET 573 H MET 573 14.539 13.953 0.794 399 HA MET 573 HA MET 573 17.378 13.167 0.777 400 HB2 MET 573 1HB MET 573 16.426 10.953 -0.196 401 HB3 MET 573 2HB MET 573 16.365 11.222 1.541 402 HG2 MET 573 1HG MET 573 14.017 12.135 0.020 403 HG3 MET 573 2HG MET 573 14.277 10.393 0.071 404 HE1 MET 573 3HE MET 573 11.426 11.502 2.569 405 HE2 MET 573 1HE MET 573 11.825 11.383 0.855 406 HE3 MET 573 2HE MET 573 11.833 9.937 1.865 407 H HIS 574 H HIS 574 14.436 13.651 -1.110 408 HA HIS 574 HA HIS 574 16.123 14.016 -3.497 409 HB2 HIS 574 1HB HIS 574 13.638 12.433 -3.130 410 HB3 HIS 574 2HB HIS 574 13.784 13.341 -4.632 411 HD1 HIS 574 HD1 HIS 574 14.837 10.248 -3.014 412 HD2 HIS 574 HD2 HIS 574 16.146 12.604 -6.176 413 HE1 HIS 574 HE1 HIS 574 16.393 8.786 -4.343 414 HA PRO 575 HA PRO 575 13.763 17.908 -2.576 415 HB2 PRO 575 1HB PRO 575 15.879 19.562 -2.968 416 HB3 PRO 575 2HB PRO 575 15.535 18.795 -1.413 417 HG2 PRO 575 1HG PRO 575 17.494 17.991 -3.529 418 HG3 PRO 575 2HG PRO 575 17.703 18.035 -1.769 419 HD2 PRO 575 1HD PRO 575 17.200 15.743 -3.119 420 HD3 PRO 575 2HD PRO 575 16.623 16.022 -1.464 421 H THR 576 H THR 576 15.377 16.498 -5.185 422 HA THR 576 HA THR 576 14.709 18.674 -7.029 423 HB THR 576 HB THR 576 15.846 16.970 -8.689 424 HG1 THR 576 HG1 THR 576 15.964 15.420 -6.801 425 HG21 THR 576 3HG2 THR 576 17.221 18.716 -6.661 426 HG22 THR 576 1HG2 THR 576 16.838 19.082 -8.343 427 HG23 THR 576 2HG2 THR 576 18.102 17.913 -7.960 428 H LEU 577 H LEU 577 14.066 15.237 -6.466 429 HA LEU 577 HA LEU 577 11.968 15.308 -8.514 430 HB2 LEU 577 1HB LEU 577 13.264 13.010 -7.060 431 HB3 LEU 577 2HB LEU 577 11.933 12.835 -8.202 432 HG LEU 577 HG LEU 577 13.869 12.264 -9.401 433 HD11 LEU 577 1HD1 LEU 577 13.638 13.614 -11.201 434 HD12 LEU 577 2HD1 LEU 577 13.812 15.093 -10.257 435 HD13 LEU 577 3HD1 LEU 577 12.276 14.227 -10.263 436 HD21 LEU 577 3HD2 LEU 577 15.934 13.070 -9.048 437 HD22 LEU 577 1HD2 LEU 577 15.241 13.720 -7.562 438 HD23 LEU 577 2HD2 LEU 577 15.382 14.745 -8.991 439 H ALA 578 H ALA 578 12.085 16.194 -5.489 440 HA ALA 578 HA ALA 578 10.329 14.725 -3.962 441 HB1 ALA 578 3HB ALA 578 11.515 17.256 -3.807 442 HB2 ALA 578 1HB ALA 578 9.783 17.521 -3.601 443 HB3 ALA 578 2HB ALA 578 10.637 16.400 -2.539 444 H GLY 579 H GLY 579 9.636 16.856 -6.650 445 HA2 GLY 579 1HA GLY 579 6.870 17.192 -6.219 446 HA3 GLY 579 2HA GLY 579 7.690 17.338 -7.767 447 H LYS 580 H LYS 580 8.237 15.236 -8.851 448 HA LYS 580 HA LYS 580 5.980 13.767 -9.409 449 HB2 LYS 580 1HB LYS 580 8.805 13.588 -10.017 450 HB3 LYS 580 2HB LYS 580 8.104 11.987 -9.824 451 HG2 LYS 580 1HG LYS 580 7.526 12.180 -11.966 452 HG3 LYS 580 2HG LYS 580 6.243 13.243 -11.382 453 HD2 LYS 580 1HD LYS 580 7.146 14.713 -12.833 454 HD3 LYS 580 2HD LYS 580 8.308 14.986 -11.533 455 HE2 LYS 580 1HE LYS 580 8.987 12.713 -13.230 456 HE3 LYS 580 2HE LYS 580 8.911 14.238 -14.111 457 HZ1 LYS 580 3HZ LYS 580 10.747 14.992 -13.112 458 HZ2 LYS 580 1HZ LYS 580 11.046 13.372 -12.726 459 HZ3 LYS 580 2HZ LYS 580 10.310 14.389 -11.593 460 H ILE 581 H ILE 581 8.532 13.026 -7.066 461 HA ILE 581 HA ILE 581 7.728 10.492 -6.286 462 HB ILE 581 HB ILE 581 8.940 12.674 -4.588 463 HG12 ILE 581 1HG1 ILE 581 10.361 10.279 -5.715 464 HG13 ILE 581 2HG1 ILE 581 10.134 11.724 -6.693 465 HG21 ILE 581 1HG2 ILE 581 9.649 10.841 -3.094 466 HG22 ILE 581 2HG2 ILE 581 7.897 11.032 -3.158 467 HG23 ILE 581 3HG2 ILE 581 8.674 9.721 -4.045 468 HD11 ILE 581 3HD1 ILE 581 12.274 11.889 -5.731 469 HD12 ILE 581 1HD1 ILE 581 11.246 13.007 -4.836 470 HD13 ILE 581 2HD1 ILE 581 11.673 11.446 -4.134 471 H THR 582 H THR 582 6.921 13.536 -4.603 472 HA THR 582 HA THR 582 5.052 12.449 -2.843 473 HB THR 582 HB THR 582 6.109 14.914 -3.127 474 HG1 THR 582 HG1 THR 582 3.660 14.271 -1.810 475 HG21 THR 582 3HG2 THR 582 4.564 15.354 -5.061 476 HG22 THR 582 1HG2 THR 582 4.455 16.522 -3.745 477 HG23 THR 582 2HG2 THR 582 3.221 15.273 -3.921 478 H GLY 583 H GLY 583 4.731 13.443 -6.179 479 HA2 GLY 583 1HA GLY 583 1.930 13.645 -6.319 480 HA3 GLY 583 2HA GLY 583 2.993 13.278 -7.669 481 H MET 584 H MET 584 3.959 10.906 -7.380 482 HA MET 584 HA MET 584 1.778 9.156 -7.754 483 HB2 MET 584 1HB MET 584 4.660 8.419 -7.215 484 HB3 MET 584 2HB MET 584 3.442 7.402 -7.974 485 HG2 MET 584 1HG MET 584 3.428 8.678 -9.931 486 HG3 MET 584 2HG MET 584 4.244 10.034 -9.155 487 HE1 MET 584 3HE MET 584 6.954 10.181 -8.877 488 HE2 MET 584 1HE MET 584 6.514 9.020 -7.623 489 HE3 MET 584 2HE MET 584 7.867 8.682 -8.701 490 H LEU 585 H LEU 585 4.076 9.537 -5.075 491 HA LEU 585 HA LEU 585 3.198 7.435 -3.475 492 HB2 LEU 585 1HB LEU 585 4.616 9.995 -3.007 493 HB3 LEU 585 2HB LEU 585 3.934 9.182 -1.599 494 HG LEU 585 HG LEU 585 5.269 7.193 -2.100 495 HD11 LEU 585 1HD1 LEU 585 6.840 7.097 -3.859 496 HD12 LEU 585 2HD1 LEU 585 6.621 8.802 -4.251 497 HD13 LEU 585 3HD1 LEU 585 5.330 7.647 -4.585 498 HD21 LEU 585 3HD2 LEU 585 7.556 8.319 -1.794 499 HD22 LEU 585 1HD2 LEU 585 6.316 8.612 -0.575 500 HD23 LEU 585 2HD2 LEU 585 6.655 9.836 -1.799 501 H LEU 586 H LEU 586 1.854 10.623 -3.974 502 HA LEU 586 HA LEU 586 -0.016 10.388 -1.784 503 HB2 LEU 586 1HB LEU 586 0.740 12.578 -2.243 504 HB3 LEU 586 2HB LEU 586 0.395 12.414 -3.964 505 HG LEU 586 HG LEU 586 -1.895 12.244 -2.079 506 HD11 LEU 586 1HD1 LEU 586 -0.148 14.603 -2.387 507 HD12 LEU 586 2HD1 LEU 586 -1.224 14.147 -1.067 508 HD13 LEU 586 3HD1 LEU 586 -1.884 14.888 -2.525 509 HD21 LEU 586 3HD2 LEU 586 -2.661 12.056 -4.215 510 HD22 LEU 586 1HD2 LEU 586 -1.352 13.027 -4.890 511 HD23 LEU 586 2HD2 LEU 586 -2.697 13.813 -4.062 512 H GLU 587 H GLU 587 0.122 9.471 -5.072 513 HA GLU 587 HA GLU 587 -2.704 9.494 -5.568 514 HB2 GLU 587 1HB GLU 587 -0.292 8.487 -7.016 515 HB3 GLU 587 2HB GLU 587 -1.875 7.890 -7.492 516 HG2 GLU 587 1HG GLU 587 -0.987 10.764 -7.449 517 HG3 GLU 587 2HG GLU 587 -1.231 9.758 -8.875 518 H ILE 588 H ILE 588 -0.328 6.870 -5.126 519 HA ILE 588 HA ILE 588 -1.755 4.634 -5.193 520 HB ILE 588 HB ILE 588 -0.518 4.102 -2.848 521 HG12 ILE 588 1HG1 ILE 588 1.194 6.246 -4.103 522 HG13 ILE 588 2HG1 ILE 588 0.125 6.566 -2.742 523 HG21 ILE 588 1HG2 ILE 588 -0.217 3.171 -5.217 524 HG22 ILE 588 2HG2 ILE 588 1.085 4.349 -5.370 525 HG23 ILE 588 3HG2 ILE 588 1.164 3.103 -4.124 526 HD11 ILE 588 3HD1 ILE 588 1.428 4.514 -1.709 527 HD12 ILE 588 1HD1 ILE 588 2.663 5.045 -2.850 528 HD13 ILE 588 2HD1 ILE 588 2.055 6.160 -1.625 529 H ASP 589 H ASP 589 -1.580 6.489 -2.148 530 HA ASP 589 HA ASP 589 -4.290 6.594 -1.609 531 HB2 ASP 589 1HB ASP 589 -3.316 3.949 -1.337 532 HB3 ASP 589 2HB ASP 589 -3.602 4.558 0.291 533 H ASN 590 H ASN 590 -4.113 8.408 -0.462 534 HA ASN 590 HA ASN 590 -1.992 9.242 1.089 535 HB2 ASN 590 1HB ASN 590 -4.895 9.946 1.013 536 HB3 ASN 590 2HB ASN 590 -3.911 10.579 2.330 537 HD21 ASN 590 2HD2 ASN 590 -5.228 11.662 -0.234 538 HD22 ASN 590 1HD2 ASN 590 -3.989 12.650 -0.921 539 H SER 591 H SER 591 -4.896 7.486 2.124 540 HA SER 591 HA SER 591 -4.494 7.454 4.852 541 HB2 SER 591 1HB SER 591 -5.951 5.790 2.919 542 HB3 SER 591 2HB SER 591 -5.496 4.939 4.395 543 HG SER 591 HG SER 591 -7.540 6.482 4.115 544 H GLU 592 H GLU 592 -3.105 5.318 2.397 545 HA GLU 592 HA GLU 592 -1.802 3.555 4.163 546 HB2 GLU 592 1HB GLU 592 -2.205 3.172 1.713 547 HB3 GLU 592 2HB GLU 592 -0.903 4.304 1.379 548 HG2 GLU 592 1HG GLU 592 -0.028 2.101 1.211 549 HG3 GLU 592 2HG GLU 592 0.627 2.837 2.672 550 H LEU 593 H LEU 593 -0.865 6.647 2.785 551 HA LEU 593 HA LEU 593 1.858 6.539 3.599 552 HB2 LEU 593 1HB LEU 593 0.426 9.131 3.282 553 HB3 LEU 593 2HB LEU 593 2.052 8.675 2.775 554 HG LEU 593 HG LEU 593 -0.538 7.918 1.425 555 HD11 LEU 593 1HD1 LEU 593 1.554 9.322 -0.061 556 HD12 LEU 593 2HD1 LEU 593 0.846 10.260 1.253 557 HD13 LEU 593 3HD1 LEU 593 -0.188 9.596 -0.012 558 HD21 LEU 593 3HD2 LEU 593 0.783 6.775 -0.217 559 HD22 LEU 593 1HD2 LEU 593 1.176 6.117 1.371 560 HD23 LEU 593 2HD2 LEU 593 2.280 7.248 0.588 561 H LEU 594 H LEU 594 -1.105 7.697 5.087 562 HA LEU 594 HA LEU 594 0.020 9.141 7.211 563 HB2 LEU 594 1HB LEU 594 -2.594 7.782 6.747 564 HB3 LEU 594 2HB LEU 594 -2.211 8.378 8.361 565 HG LEU 594 HG LEU 594 -2.349 10.049 5.851 566 HD11 LEU 594 1HD1 LEU 594 -4.553 9.820 6.247 567 HD12 LEU 594 2HD1 LEU 594 -4.242 11.024 7.497 568 HD13 LEU 594 3HD1 LEU 594 -4.312 9.313 7.919 569 HD21 LEU 594 3HD2 LEU 594 -1.162 11.550 6.975 570 HD22 LEU 594 1HD2 LEU 594 -1.114 10.511 8.399 571 HD23 LEU 594 2HD2 LEU 594 -2.460 11.628 8.168 572 H HIS 595 H HIS 595 -0.019 5.798 6.582 573 HA HIS 595 HA HIS 595 0.770 5.231 9.365 574 HB2 HIS 595 1HB HIS 595 -1.346 4.109 8.092 575 HB3 HIS 595 2HB HIS 595 -0.077 2.963 7.670 576 HD1 HIS 595 HD1 HIS 595 -1.009 4.729 10.921 577 HD2 HIS 595 HD2 HIS 595 -0.142 0.942 9.447 578 HE1 HIS 595 HE1 HIS 595 -1.136 3.190 12.905 579 H MET 596 H MET 596 1.743 5.320 6.125 580 HA MET 596 HA MET 596 3.815 3.311 6.380 581 HB2 MET 596 1HB MET 596 2.614 3.719 4.232 582 HB3 MET 596 2HB MET 596 3.363 5.308 4.157 583 HG2 MET 596 1HG MET 596 5.506 4.404 3.848 584 HG3 MET 596 2HG MET 596 4.984 2.794 4.338 585 HE1 MET 596 3HE MET 596 3.839 5.593 2.170 586 HE2 MET 596 1HE MET 596 3.876 4.989 0.514 587 HE3 MET 596 2HE MET 596 2.493 4.636 1.550 588 H LEU 597 H LEU 597 3.445 6.696 6.874 589 HA LEU 597 HA LEU 597 6.157 7.470 6.539 590 HB2 LEU 597 1HB LEU 597 5.535 9.541 7.405 591 HB3 LEU 597 2HB LEU 597 4.086 8.952 6.594 592 HG LEU 597 HG LEU 597 3.346 9.940 8.596 593 HD11 LEU 597 1HD1 LEU 597 2.348 8.117 9.805 594 HD12 LEU 597 2HD1 LEU 597 3.553 6.991 9.179 595 HD13 LEU 597 3HD1 LEU 597 2.377 7.721 8.086 596 HD21 LEU 597 3HD2 LEU 597 4.457 9.998 10.556 597 HD22 LEU 597 1HD2 LEU 597 5.838 9.552 9.553 598 HD23 LEU 597 2HD2 LEU 597 4.958 8.310 10.445 599 H GLU 598 H GLU 598 4.725 5.496 8.799 600 HA GLU 598 HA GLU 598 6.471 6.273 11.002 601 HB2 GLU 598 1HB GLU 598 4.444 4.034 10.873 602 HB3 GLU 598 2HB GLU 598 5.253 4.630 12.316 603 HG2 GLU 598 1HG GLU 598 4.158 6.903 11.609 604 HG3 GLU 598 2HG GLU 598 3.048 5.847 10.736 605 H SER 599 H SER 599 6.493 4.197 8.342 606 HA SER 599 HA SER 599 8.449 2.398 9.599 607 HB2 SER 599 1HB SER 599 7.975 1.329 7.121 608 HB3 SER 599 2HB SER 599 7.125 0.864 8.594 609 HG SER 599 HG SER 599 5.498 1.405 7.299 610 HA PRO 600 HA PRO 600 11.593 4.652 7.417 611 HB2 PRO 600 1HB PRO 600 13.651 3.010 8.080 612 HB3 PRO 600 2HB PRO 600 12.950 4.176 9.209 613 HG2 PRO 600 1HG PRO 600 12.452 1.233 8.971 614 HG3 PRO 600 2HG PRO 600 12.680 2.215 10.430 615 HD2 PRO 600 1HD PRO 600 10.235 1.437 9.565 616 HD3 PRO 600 2HD PRO 600 10.504 2.974 10.412 617 H GLU 601 H GLU 601 11.610 1.087 7.221 618 HA GLU 601 HA GLU 601 13.006 0.912 4.796 619 HB2 GLU 601 1HB GLU 601 12.636 -0.976 6.376 620 HB3 GLU 601 2HB GLU 601 10.953 -1.029 5.871 621 HG2 GLU 601 1HG GLU 601 11.502 -1.775 3.723 622 HG3 GLU 601 2HG GLU 601 13.195 -1.323 3.905 623 H SER 602 H SER 602 9.718 1.694 5.485 624 HA SER 602 HA SER 602 8.760 1.124 2.818 625 HB2 SER 602 1HB SER 602 7.375 2.687 5.007 626 HB3 SER 602 2HB SER 602 6.628 1.943 3.593 627 HG SER 602 HG SER 602 6.375 0.648 5.453 628 H LEU 603 H LEU 603 9.205 4.068 4.778 629 HA LEU 603 HA LEU 603 8.545 5.961 2.888 630 HB2 LEU 603 1HB LEU 603 9.004 6.493 5.217 631 HB3 LEU 603 2HB LEU 603 10.707 6.107 4.984 632 HG LEU 603 HG LEU 603 9.946 8.585 5.045 633 HD11 LEU 603 1HD1 LEU 603 11.832 9.188 3.823 634 HD12 LEU 603 2HD1 LEU 603 11.656 7.840 2.700 635 HD13 LEU 603 3HD1 LEU 603 12.192 7.544 4.354 636 HD21 LEU 603 3HD2 LEU 603 8.136 8.284 3.389 637 HD22 LEU 603 1HD2 LEU 603 9.351 7.917 2.165 638 HD23 LEU 603 2HD2 LEU 603 9.307 9.514 2.912 639 H ARG 604 H ARG 604 11.831 4.752 3.577 640 HA ARG 604 HA ARG 604 13.108 6.091 1.480 641 HB2 ARG 604 1HB ARG 604 14.120 4.828 3.490 642 HB3 ARG 604 2HB ARG 604 13.993 3.396 2.477 643 HG2 ARG 604 1HG ARG 604 16.184 4.161 2.190 644 HG3 ARG 604 2HG ARG 604 15.322 4.689 0.743 645 HD2 ARG 604 1HD ARG 604 16.376 6.638 1.254 646 HD3 ARG 604 2HD ARG 604 14.927 6.848 2.236 647 HE ARG 604 HE ARG 604 16.961 5.532 3.708 648 HH11 ARG 604 1HH1 ARG 604 16.017 8.656 2.495 649 HH12 ARG 604 2HH1 ARG 604 16.849 9.534 3.736 650 HH21 ARG 604 1HH2 ARG 604 18.061 6.677 5.346 651 HH22 ARG 604 2HH2 ARG 604 18.012 8.407 5.356 652 H SER 605 H SER 605 11.465 2.982 1.585 653 HA SER 605 HA SER 605 12.305 2.024 -0.928 654 HB2 SER 605 1HB SER 605 11.331 0.458 0.579 655 HB3 SER 605 2HB SER 605 9.872 1.432 0.761 656 HG SER 605 HG SER 605 10.550 -0.377 -1.191 657 H LYS 606 H LYS 606 9.393 3.812 0.046 658 HA LYS 606 HA LYS 606 8.173 3.916 -2.472 659 HB2 LYS 606 1HB LYS 606 8.021 5.839 -0.146 660 HB3 LYS 606 2HB LYS 606 6.969 5.913 -1.553 661 HG2 LYS 606 1HG LYS 606 7.163 3.639 0.410 662 HG3 LYS 606 2HG LYS 606 5.851 4.812 0.285 663 HD2 LYS 606 1HD LYS 606 6.663 2.811 -1.824 664 HD3 LYS 606 2HD LYS 606 5.237 2.714 -0.788 665 HE2 LYS 606 1HE LYS 606 4.391 4.794 -1.773 666 HE3 LYS 606 2HE LYS 606 5.813 4.876 -2.813 667 HZ1 LYS 606 3HZ LYS 606 4.296 3.888 -4.190 668 HZ2 LYS 606 1HZ LYS 606 3.519 3.048 -2.944 669 HZ3 LYS 606 2HZ LYS 606 5.019 2.515 -3.516 670 H VAL 607 H VAL 607 10.065 6.470 -0.847 671 HA VAL 607 HA VAL 607 10.177 8.286 -2.919 672 HB VAL 607 HB VAL 607 12.330 7.684 -0.887 673 HG11 VAL 607 1HG1 VAL 607 13.572 9.051 -2.157 674 HG12 VAL 607 2HG1 VAL 607 12.176 9.629 -3.069 675 HG13 VAL 607 3HG1 VAL 607 12.556 10.332 -1.497 676 HG21 VAL 607 3HG2 VAL 607 10.988 8.637 0.603 677 HG22 VAL 607 1HG2 VAL 607 10.919 10.097 -0.384 678 HG23 VAL 607 2HG2 VAL 607 9.738 8.811 -0.629 679 H ASP 608 H ASP 608 12.522 5.702 -2.204 680 HA ASP 608 HA ASP 608 14.250 6.159 -4.340 681 HB2 ASP 608 1HB ASP 608 14.982 4.678 -2.643 682 HB3 ASP 608 2HB ASP 608 13.557 3.656 -2.811 683 H GLU 609 H GLU 609 11.521 3.874 -4.154 684 HA GLU 609 HA GLU 609 11.668 2.860 -6.729 685 HB2 GLU 609 1HB GLU 609 10.102 2.270 -4.708 686 HB3 GLU 609 2HB GLU 609 8.998 3.397 -5.485 687 HG2 GLU 609 1HG GLU 609 8.519 1.117 -6.146 688 HG3 GLU 609 2HG GLU 609 9.064 2.069 -7.526 689 H ALA 610 H ALA 610 9.724 5.618 -5.585 690 HA ALA 610 HA ALA 610 8.549 6.359 -7.968 691 HB1 ALA 610 3HB ALA 610 9.285 7.791 -5.482 692 HB2 ALA 610 1HB ALA 610 8.874 8.773 -6.889 693 HB3 ALA 610 2HB ALA 610 7.714 7.601 -6.261 694 H VAL 611 H VAL 611 11.542 7.776 -6.627 695 HA VAL 611 HA VAL 611 12.259 9.347 -8.772 696 HB VAL 611 HB VAL 611 14.200 7.803 -7.048 697 HG11 VAL 611 1HG1 VAL 611 15.823 9.366 -7.639 698 HG12 VAL 611 2HG1 VAL 611 14.979 9.058 -9.158 699 HG13 VAL 611 3HG1 VAL 611 14.631 10.521 -8.235 700 HG21 VAL 611 3HG2 VAL 611 12.263 9.726 -6.285 701 HG22 VAL 611 1HG2 VAL 611 13.532 8.997 -5.301 702 HG23 VAL 611 2HG2 VAL 611 13.848 10.491 -6.184 703 H ALA 612 H ALA 612 13.059 5.932 -8.221 704 HA ALA 612 HA ALA 612 14.697 5.512 -10.425 705 HB1 ALA 612 3HB ALA 612 14.456 3.242 -10.034 706 HB2 ALA 612 1HB ALA 612 14.081 3.943 -8.459 707 HB3 ALA 612 2HB ALA 612 12.777 3.405 -9.519 708 H VAL 613 H VAL 613 11.167 5.322 -10.174 709 HA VAL 613 HA VAL 613 10.677 4.393 -12.784 710 HB VAL 613 HB VAL 613 8.916 6.066 -10.989 711 HG11 VAL 613 1HG1 VAL 613 8.589 5.341 -13.724 712 HG12 VAL 613 2HG1 VAL 613 7.408 4.454 -12.758 713 HG13 VAL 613 3HG1 VAL 613 7.477 6.215 -12.671 714 HG21 VAL 613 3HG2 VAL 613 9.611 3.226 -11.088 715 HG22 VAL 613 1HG2 VAL 613 8.908 4.179 -9.781 716 HG23 VAL 613 2HG2 VAL 613 7.876 3.539 -11.060 717 H LEU 614 H LEU 614 10.916 7.665 -11.456 718 HA LEU 614 HA LEU 614 10.084 9.157 -13.617 719 HB2 LEU 614 1HB LEU 614 12.449 9.869 -11.898 720 HB3 LEU 614 2HB LEU 614 11.358 10.970 -12.737 721 HG LEU 614 HG LEU 614 10.881 9.397 -10.228 722 HD11 LEU 614 1HD1 LEU 614 11.855 11.665 -10.105 723 HD12 LEU 614 2HD1 LEU 614 10.275 11.547 -9.331 724 HD13 LEU 614 3HD1 LEU 614 10.424 12.294 -10.921 725 HD21 LEU 614 3HD2 LEU 614 8.805 10.648 -12.021 726 HD22 LEU 614 1HD2 LEU 614 8.518 10.125 -10.361 727 HD23 LEU 614 2HD2 LEU 614 8.952 8.942 -11.596 728 H GLN 615 H GLN 615 13.081 7.424 -13.172 729 HA GLN 615 HA GLN 615 14.698 8.608 -15.080 730 HB2 GLN 615 1HB GLN 615 15.432 6.841 -13.513 731 HB3 GLN 615 2HB GLN 615 14.517 5.660 -14.438 732 HG2 GLN 615 1HG GLN 615 16.521 7.291 -15.888 733 HG3 GLN 615 2HG GLN 615 17.109 6.039 -14.795 734 HE21 GLN 615 2HE2 GLN 615 15.886 3.896 -15.075 735 HE22 GLN 615 1HE2 GLN 615 15.672 3.369 -16.706 736 H ALA 616 H ALA 616 12.043 6.357 -15.487 737 HA ALA 616 HA ALA 616 12.513 5.637 -18.166 738 HB1 ALA 616 3HB ALA 616 10.775 4.794 -16.331 739 HB2 ALA 616 1HB ALA 616 9.710 5.867 -17.239 740 HB3 ALA 616 2HB ALA 616 10.530 4.538 -18.059 741 H HIS 617 H HIS 617 11.002 8.441 -16.715 742 HA HIS 617 HA HIS 617 10.210 9.438 -19.355 743 HB2 HIS 617 1HB HIS 617 8.495 9.550 -17.625 744 HB3 HIS 617 2HB HIS 617 9.576 10.469 -16.582 745 HD1 HIS 617 HD1 HIS 617 7.916 10.833 -19.984 746 HD2 HIS 617 HD2 HIS 617 9.299 13.153 -16.827 747 HE1 HIS 617 HE1 HIS 617 7.259 13.195 -20.546 748 H GLN 618 H GLN 618 11.428 11.105 -16.458 749 HA GLN 618 HA GLN 618 13.733 12.091 -17.914 750 HB2 GLN 618 1HB GLN 618 11.514 13.901 -16.968 751 HB3 GLN 618 2HB GLN 618 13.139 14.481 -17.307 752 HG2 GLN 618 1HG GLN 618 12.926 13.684 -19.617 753 HG3 GLN 618 2HG GLN 618 11.281 13.153 -19.268 754 HE21 GLN 618 2HE2 GLN 618 11.445 14.787 -21.289 755 HE22 GLN 618 1HE2 GLN 618 10.946 16.392 -20.888 756 H ALA 619 H ALA 619 15.428 12.482 -16.600 757 HA ALA 619 HA ALA 619 14.912 12.494 -13.696 758 HB1 ALA 619 3HB ALA 619 15.999 10.524 -13.766 759 HB2 ALA 619 1HB ALA 619 16.752 10.874 -15.322 760 HB3 ALA 619 2HB ALA 619 17.437 11.543 -13.841 761 H LYS 620 H LYS 620 14.840 14.859 -14.021 762 HA LYS 620 HA LYS 620 15.746 16.941 -13.874 763 HB2 LYS 620 1HB LYS 620 16.932 15.587 -11.985 764 HB3 LYS 620 2HB LYS 620 18.345 15.705 -13.025 765 HG2 LYS 620 1HG LYS 620 17.629 18.272 -13.017 766 HG3 LYS 620 2HG LYS 620 16.961 17.792 -11.456 767 HD2 LYS 620 1HD LYS 620 19.019 17.362 -10.554 768 HD3 LYS 620 2HD LYS 620 19.733 16.939 -12.112 769 HE2 LYS 620 1HE LYS 620 20.736 18.973 -11.600 770 HE3 LYS 620 2HE LYS 620 19.423 19.432 -12.683 771 HZ1 LYS 620 3HZ LYS 620 18.164 20.259 -10.926 772 HZ2 LYS 620 1HZ LYS 620 19.733 20.777 -10.562 773 HZ3 LYS 620 2HZ LYS 620 19.072 19.450 -9.750 774 H GLU 621 H GLU 621 16.030 15.465 -16.382 775 HA GLU 621 HA GLU 621 18.607 16.109 -17.472 776 HB2 GLU 621 1HB GLU 621 16.031 15.147 -18.712 777 HB3 GLU 621 2HB GLU 621 17.471 15.491 -19.660 778 HG2 GLU 621 1HG GLU 621 18.707 13.791 -18.480 779 HG3 GLU 621 2HG GLU 621 17.337 13.497 -17.411 780 H ALA 622 H ALA 622 15.438 17.594 -17.399 781 HA ALA 622 HA ALA 622 16.380 19.767 -19.132 782 HB1 ALA 622 3HB ALA 622 13.578 19.655 -18.147 783 HB2 ALA 622 1HB ALA 622 14.211 20.202 -19.700 784 HB3 ALA 622 2HB ALA 622 14.090 18.476 -19.354 785 H ALA 623 H ALA 623 14.714 19.267 -16.025 786 HA ALA 623 HA ALA 623 16.072 21.623 -14.964 787 HB1 ALA 623 3HB ALA 623 13.130 21.373 -15.333 788 HB2 ALA 623 1HB ALA 623 13.736 22.196 -13.896 789 HB3 ALA 623 2HB ALA 623 14.175 22.784 -15.500 Start of MODEL 10 1 H1 ALA 64 1H ALA 64 -0.452 -1.459 0.068 2 HA ALA 64 HA ALA 64 0.261 0.227 -2.091 3 HB1 ALA 64 3HB ALA 64 2.410 -0.351 -0.204 4 HB2 ALA 64 1HB ALA 64 1.638 1.182 -0.613 5 HB3 ALA 64 2HB ALA 64 0.894 0.107 0.571 6 H PHE 65 H PHE 65 1.750 0.019 -3.689 7 HA PHE 65 HA PHE 65 3.139 -2.573 -3.882 8 HB2 PHE 65 1HB PHE 65 2.992 -2.240 -6.378 9 HB3 PHE 65 2HB PHE 65 1.452 -2.526 -5.575 10 HD1 PHE 65 HD2 PHE 65 -0.078 -0.600 -5.147 11 HD2 PHE 65 HD1 PHE 65 3.399 -0.259 -7.579 12 HE1 PHE 65 HE2 PHE 65 -0.978 1.464 -6.138 13 HE2 PHE 65 HE1 PHE 65 2.505 1.806 -8.573 14 HZ PHE 65 HZ PHE 65 0.314 2.670 -7.854 15 H SER 66 H SER 66 5.259 -2.378 -3.672 16 HA SER 66 HA SER 66 6.534 0.180 -4.313 17 HB2 SER 66 1HB SER 66 8.527 -1.013 -3.128 18 HB3 SER 66 2HB SER 66 7.175 -0.434 -2.154 19 HG SER 66 HG SER 66 6.395 -2.509 -2.026 20 H ARG 67 H ARG 67 6.126 -2.952 -5.547 21 HA ARG 67 HA ARG 67 8.507 -3.561 -6.789 22 HB2 ARG 67 1HB ARG 67 5.642 -4.048 -7.507 23 HB3 ARG 67 2HB ARG 67 6.902 -4.486 -8.653 24 HG2 ARG 67 1HG ARG 67 7.906 -5.980 -7.065 25 HG3 ARG 67 2HG ARG 67 6.789 -5.452 -5.805 26 HD2 ARG 67 1HD ARG 67 5.913 -6.748 -8.379 27 HD3 ARG 67 2HD ARG 67 6.223 -7.644 -6.893 28 HE ARG 67 HE ARG 67 4.454 -5.745 -6.122 29 HH11 ARG 67 1HH1 ARG 67 4.481 -8.109 -8.677 30 HH12 ARG 67 2HH1 ARG 67 2.759 -8.297 -8.699 31 HH21 ARG 67 1HH2 ARG 67 2.185 -5.983 -6.141 32 HH22 ARG 67 2HH2 ARG 67 1.454 -7.086 -7.257 33 H GLN 68 H GLN 68 5.797 -1.982 -8.490 34 HA GLN 68 HA GLN 68 7.580 -0.035 -9.666 35 HB2 GLN 68 1HB GLN 68 7.989 -1.812 -11.209 36 HB3 GLN 68 2HB GLN 68 6.277 -2.197 -11.317 37 HG2 GLN 68 1HG GLN 68 5.814 -0.356 -12.646 38 HG3 GLN 68 2HG GLN 68 7.285 0.486 -12.163 39 HE21 GLN 68 2HE2 GLN 68 9.244 -0.078 -13.113 40 HE22 GLN 68 1HE2 GLN 68 9.324 -0.993 -14.576 41 H LEU 69 H LEU 69 6.530 1.792 -10.313 42 HA LEU 69 HA LEU 69 3.586 1.739 -10.235 43 HB2 LEU 69 1HB LEU 69 3.743 4.074 -9.314 44 HB3 LEU 69 2HB LEU 69 4.230 2.778 -8.222 45 HG LEU 69 HG LEU 69 6.633 3.348 -9.004 46 HD11 LEU 69 1HD1 LEU 69 5.125 5.824 -9.815 47 HD12 LEU 69 2HD1 LEU 69 6.143 4.802 -10.829 48 HD13 LEU 69 3HD1 LEU 69 6.867 5.773 -9.547 49 HD21 LEU 69 3HD2 LEU 69 4.909 4.428 -6.958 50 HD22 LEU 69 1HD2 LEU 69 6.159 5.586 -7.415 51 HD23 LEU 69 2HD2 LEU 69 6.611 3.970 -6.870 52 H ASN 70 H ASN 70 2.886 4.141 -11.059 53 HA ASN 70 HA ASN 70 4.040 4.313 -13.752 54 HB2 ASN 70 1HB ASN 70 1.705 3.903 -13.867 55 HB3 ASN 70 2HB ASN 70 1.356 5.107 -12.630 56 HD21 ASN 70 2HD2 ASN 70 0.107 6.519 -13.668 57 HD22 ASN 70 1HD2 ASN 70 0.544 7.356 -15.115 58 H VAL 71 H VAL 71 4.907 6.168 -14.542 59 HA VAL 71 HA VAL 71 5.507 8.255 -12.611 60 HB VAL 71 HB VAL 71 7.347 7.459 -13.964 61 HG11 VAL 71 1HG1 VAL 71 7.128 6.906 -16.103 62 HG12 VAL 71 2HG1 VAL 71 5.432 7.388 -16.020 63 HG13 VAL 71 3HG1 VAL 71 6.658 8.554 -16.521 64 HG21 VAL 71 3HG2 VAL 71 6.755 10.163 -15.099 65 HG22 VAL 71 1HG2 VAL 71 7.000 9.960 -13.364 66 HG23 VAL 71 2HG2 VAL 71 8.279 9.513 -14.494 67 H ASN 72 H ASN 72 3.395 7.706 -15.273 68 HA ASN 72 HA ASN 72 2.969 10.422 -16.014 69 HB2 ASN 72 1HB ASN 72 1.703 7.805 -16.616 70 HB3 ASN 72 2HB ASN 72 0.699 9.235 -16.840 71 HD21 ASN 72 2HD2 ASN 72 3.329 7.383 -18.019 72 HD22 ASN 72 1HD2 ASN 72 3.648 8.325 -19.432 73 H ALA 73 H ALA 73 1.987 8.557 -13.353 74 HA ALA 73 HA ALA 73 -0.540 9.470 -12.729 75 HB1 ALA 73 3HB ALA 73 -0.213 8.419 -10.783 76 HB2 ALA 73 1HB ALA 73 1.347 7.949 -11.458 77 HB3 ALA 73 2HB ALA 73 1.230 9.363 -10.409 78 H LYS 74 H LYS 74 -1.319 11.454 -12.537 79 HA LYS 74 HA LYS 74 0.122 13.805 -12.560 80 HB2 LYS 74 1HB LYS 74 -2.653 13.075 -11.765 81 HB3 LYS 74 2HB LYS 74 -2.072 14.672 -11.313 82 HG2 LYS 74 1HG LYS 74 -3.020 15.128 -13.338 83 HG3 LYS 74 2HG LYS 74 -1.361 14.785 -13.834 84 HD2 LYS 74 1HD LYS 74 -2.679 13.564 -15.335 85 HD3 LYS 74 2HD LYS 74 -2.154 12.368 -14.147 86 HE2 LYS 74 1HE LYS 74 -4.430 11.931 -14.419 87 HE3 LYS 74 2HE LYS 74 -4.358 12.891 -12.942 88 HZ1 LYS 74 3HZ LYS 74 -5.325 14.675 -13.943 89 HZ2 LYS 74 1HZ LYS 74 -6.055 13.442 -14.842 90 HZ3 LYS 74 2HZ LYS 74 -4.742 14.292 -15.484 91 HA PRO 75 HA PRO 75 1.715 14.534 -8.537 92 HB2 PRO 75 1HB PRO 75 1.300 17.198 -8.217 93 HB3 PRO 75 2HB PRO 75 2.515 16.540 -9.320 94 HG2 PRO 75 1HG PRO 75 -0.237 17.553 -9.921 95 HG3 PRO 75 2HG PRO 75 1.275 17.829 -10.806 96 HD2 PRO 75 1HD PRO 75 -0.569 16.013 -11.602 97 HD3 PRO 75 2HD PRO 75 1.171 15.787 -11.870 98 H PHE 76 H PHE 76 -0.568 17.127 -8.196 99 HA PHE 76 HA PHE 76 -2.607 15.739 -6.821 100 HB2 PHE 76 1HB PHE 76 -2.135 16.353 -4.529 101 HB3 PHE 76 2HB PHE 76 -0.771 15.441 -5.167 102 HD1 PHE 76 HD2 PHE 76 1.128 16.940 -6.238 103 HD2 PHE 76 HD1 PHE 76 -1.703 18.272 -3.352 104 HE1 PHE 76 HE2 PHE 76 2.649 18.762 -5.591 105 HE2 PHE 76 HE1 PHE 76 -0.187 20.097 -2.702 106 HZ PHE 76 HZ PHE 76 1.993 20.343 -3.821 107 H VAL 77 H VAL 77 -3.762 17.469 -5.247 108 HA VAL 77 HA VAL 77 -4.006 19.912 -6.873 109 HB VAL 77 HB VAL 77 -6.068 18.724 -6.906 110 HG11 VAL 77 1HG1 VAL 77 -7.006 18.593 -4.292 111 HG12 VAL 77 2HG1 VAL 77 -6.466 17.243 -5.292 112 HG13 VAL 77 3HG1 VAL 77 -5.336 18.037 -4.195 113 HG21 VAL 77 3HG2 VAL 77 -6.907 20.565 -4.794 114 HG22 VAL 77 1HG2 VAL 77 -5.860 21.297 -6.010 115 HG23 VAL 77 2HG2 VAL 77 -7.361 20.509 -6.497 116 HA PRO 78 HA PRO 78 -2.185 21.460 -2.958 117 HB2 PRO 78 1HB PRO 78 -0.883 23.527 -4.143 118 HB3 PRO 78 2HB PRO 78 -0.218 21.891 -4.064 119 HG2 PRO 78 1HG PRO 78 -1.634 23.253 -6.323 120 HG3 PRO 78 2HG PRO 78 -0.185 22.232 -6.365 121 HD2 PRO 78 1HD PRO 78 -2.640 21.304 -7.029 122 HD3 PRO 78 2HD PRO 78 -1.405 20.279 -6.270 123 H ASN 79 H ASN 79 -2.156 23.833 -2.166 124 HA ASN 79 HA ASN 79 -4.632 25.171 -3.040 125 HB2 ASN 79 1HB ASN 79 -4.667 23.963 -0.762 126 HB3 ASN 79 2HB ASN 79 -3.619 25.265 -0.207 127 HD21 ASN 79 2HD2 ASN 79 -6.776 24.487 -1.497 128 HD22 ASN 79 1HD2 ASN 79 -7.565 25.923 -0.950 129 H VAL 80 H VAL 80 -1.825 25.621 -3.829 130 HA VAL 80 HA VAL 80 -1.457 28.351 -2.782 131 HB VAL 80 HB VAL 80 0.623 26.592 -4.087 132 HG11 VAL 80 1HG1 VAL 80 1.044 28.960 -4.415 133 HG12 VAL 80 2HG1 VAL 80 0.851 29.254 -2.686 134 HG13 VAL 80 3HG1 VAL 80 2.205 28.286 -3.271 135 HG21 VAL 80 3HG2 VAL 80 0.143 25.599 -1.997 136 HG22 VAL 80 1HG2 VAL 80 1.593 26.571 -1.746 137 HG23 VAL 80 2HG2 VAL 80 0.026 27.164 -1.194 138 H HIS 81 H HIS 81 -1.276 30.050 -4.179 139 HA HIS 81 HA HIS 81 -1.787 29.452 -7.018 140 HB2 HIS 81 1HB HIS 81 -3.450 30.820 -5.474 141 HB3 HIS 81 2HB HIS 81 -2.357 32.145 -5.861 142 HD1 HIS 81 HD1 HIS 81 -3.666 29.391 -8.134 143 HD2 HIS 81 HD2 HIS 81 -3.701 33.529 -7.763 144 HE1 HIS 81 HE1 HIS 81 -4.818 30.242 -10.201 145 H ALA 82 H ALA 82 0.127 31.335 -4.765 146 HA ALA 82 HA ALA 82 1.474 32.920 -6.694 147 HB1 ALA 82 3HB ALA 82 1.856 33.919 -4.725 148 HB2 ALA 82 1HB ALA 82 1.681 32.416 -3.818 149 HB3 ALA 82 2HB ALA 82 3.215 32.801 -4.600 150 H1 GLY 541 1H GLY 541 8.947 25.941 20.054 151 HA2 GLY 541 1HA GLY 541 7.238 26.067 18.515 152 HA3 GLY 541 2HA GLY 541 8.421 26.605 17.332 153 H GLN 542 H GLN 542 6.139 24.517 17.463 154 HA GLN 542 HA GLN 542 7.219 22.741 15.574 155 HB2 GLN 542 1HB GLN 542 7.042 20.642 16.985 156 HB3 GLN 542 2HB GLN 542 8.434 21.669 17.300 157 HG2 GLN 542 1HG GLN 542 7.531 22.463 19.314 158 HG3 GLN 542 2HG GLN 542 5.923 21.856 18.926 159 HE21 GLN 542 2HE2 GLN 542 5.843 19.430 18.599 160 HE22 GLN 542 1HE2 GLN 542 6.722 18.472 19.737 161 H GLU 543 H GLU 543 5.591 21.890 14.425 162 HA GLU 543 HA GLU 543 3.034 21.315 15.669 163 HB2 GLU 543 1HB GLU 543 1.808 22.679 13.947 164 HB3 GLU 543 2HB GLU 543 2.663 23.615 15.165 165 HG2 GLU 543 1HG GLU 543 4.026 23.007 12.591 166 HG3 GLU 543 2HG GLU 543 2.790 24.263 12.638 167 HA PRO 544 HA PRO 544 4.352 18.476 12.215 168 HB2 PRO 544 1HB PRO 544 4.072 16.191 13.655 169 HB3 PRO 544 2HB PRO 544 5.564 17.140 13.638 170 HG2 PRO 544 1HG PRO 544 3.370 17.095 15.675 171 HG3 PRO 544 2HG PRO 544 5.126 17.113 15.922 172 HD2 PRO 544 1HD PRO 544 3.601 19.338 16.150 173 HD3 PRO 544 2HD PRO 544 5.279 19.386 15.574 174 H LEU 545 H LEU 545 3.051 16.921 11.099 175 HA LEU 545 HA LEU 545 0.325 17.512 11.010 176 HB2 LEU 545 1HB LEU 545 2.085 15.440 9.841 177 HB3 LEU 545 2HB LEU 545 0.355 15.107 9.838 178 HG LEU 545 HG LEU 545 1.709 17.482 8.559 179 HD11 LEU 545 1HD1 LEU 545 2.171 15.561 7.259 180 HD12 LEU 545 2HD1 LEU 545 0.830 16.388 6.468 181 HD13 LEU 545 3HD1 LEU 545 0.527 14.951 7.445 182 HD21 LEU 545 3HD2 LEU 545 -0.994 17.007 7.729 183 HD22 LEU 545 1HD2 LEU 545 -0.276 18.462 8.419 184 HD23 LEU 545 2HD2 LEU 545 -0.928 17.213 9.480 185 H THR 546 H THR 546 -1.314 15.529 11.061 186 HA THR 546 HA THR 546 -0.946 13.695 13.235 187 HB THR 546 HB THR 546 -1.432 15.569 14.632 188 HG1 THR 546 HG1 THR 546 -2.829 14.403 15.703 189 HG21 THR 546 3HG2 THR 546 -3.342 17.019 14.336 190 HG22 THR 546 1HG2 THR 546 -3.884 16.081 12.945 191 HG23 THR 546 2HG2 THR 546 -2.389 17.012 12.853 192 H ALA 547 H ALA 547 -2.129 11.933 12.852 193 HA ALA 547 HA ALA 547 -3.649 11.549 10.584 194 HB1 ALA 547 3HB ALA 547 -3.389 10.091 13.161 195 HB2 ALA 547 1HB ALA 547 -4.692 9.629 12.065 196 HB3 ALA 547 2HB ALA 547 -3.015 9.565 11.520 197 H SER 548 H SER 548 -4.618 12.825 13.684 198 HA SER 548 HA SER 548 -7.378 12.499 13.544 199 HB2 SER 548 1HB SER 548 -7.535 14.113 15.247 200 HB3 SER 548 2HB SER 548 -5.923 13.431 15.467 201 HG SER 548 HG SER 548 -6.630 15.969 14.928 202 H MET 549 H MET 549 -5.304 14.970 12.120 203 HA MET 549 HA MET 549 -7.196 16.797 11.270 204 HB2 MET 549 1HB MET 549 -4.556 15.933 10.131 205 HB3 MET 549 2HB MET 549 -5.538 17.132 9.299 206 HG2 MET 549 1HG MET 549 -5.026 17.565 12.180 207 HG3 MET 549 2HG MET 549 -3.672 17.777 11.072 208 HE1 MET 549 3HE MET 549 -3.215 19.298 9.702 209 HE2 MET 549 1HE MET 549 -4.344 20.257 8.745 210 HE3 MET 549 2HE MET 549 -3.610 20.945 10.193 211 H LEU 550 H LEU 550 -5.720 14.450 9.035 212 HA LEU 550 HA LEU 550 -7.609 14.648 7.033 213 HB2 LEU 550 1HB LEU 550 -5.706 12.510 7.866 214 HB3 LEU 550 2HB LEU 550 -6.889 12.158 6.608 215 HG LEU 550 HG LEU 550 -5.917 14.334 5.512 216 HD11 LEU 550 1HD1 LEU 550 -4.483 15.059 7.265 217 HD12 LEU 550 2HD1 LEU 550 -3.456 14.468 5.959 218 HD13 LEU 550 3HD1 LEU 550 -3.726 13.471 7.388 219 HD21 LEU 550 3HD2 LEU 550 -5.730 11.759 4.932 220 HD22 LEU 550 1HD2 LEU 550 -4.044 12.032 5.370 221 HD23 LEU 550 2HD2 LEU 550 -4.782 12.975 4.075 222 H ALA 551 H ALA 551 -7.714 12.795 9.994 223 HA ALA 551 HA ALA 551 -9.822 11.053 9.361 224 HB1 ALA 551 3HB ALA 551 -10.086 11.585 12.070 225 HB2 ALA 551 1HB ALA 551 -9.118 10.307 11.335 226 HB3 ALA 551 2HB ALA 551 -8.376 11.856 11.735 227 H SER 552 H SER 552 -9.869 14.232 10.964 228 HA SER 552 HA SER 552 -12.782 14.295 10.742 229 HB2 SER 552 1HB SER 552 -11.638 14.937 12.887 230 HB3 SER 552 2HB SER 552 -10.964 16.332 12.045 231 HG SER 552 HG SER 552 -12.777 17.165 12.814 232 H ALA 553 H ALA 553 -10.851 14.603 8.457 233 HA ALA 553 HA ALA 553 -11.831 17.214 7.500 234 HB1 ALA 553 3HB ALA 553 -9.603 17.675 7.547 235 HB2 ALA 553 1HB ALA 553 -9.134 15.988 7.329 236 HB3 ALA 553 2HB ALA 553 -9.698 16.933 5.950 237 HA PRO 554 HA PRO 554 -13.652 15.212 4.045 238 HB2 PRO 554 1HB PRO 554 -13.161 16.962 2.028 239 HB3 PRO 554 2HB PRO 554 -14.325 17.286 3.318 240 HG2 PRO 554 1HG PRO 554 -11.503 18.244 3.028 241 HG3 PRO 554 2HG PRO 554 -12.943 19.142 3.544 242 HD2 PRO 554 1HD PRO 554 -11.119 18.181 5.299 243 HD3 PRO 554 2HD PRO 554 -12.846 18.313 5.692 244 HA PRO 555 HA PRO 555 -10.782 12.900 1.648 245 HB2 PRO 555 1HB PRO 555 -12.077 12.605 -0.719 246 HB3 PRO 555 2HB PRO 555 -12.571 11.767 0.756 247 HG2 PRO 555 1HG PRO 555 -13.696 14.252 -0.477 248 HG3 PRO 555 2HG PRO 555 -14.550 12.871 0.236 249 HD2 PRO 555 1HD PRO 555 -14.174 15.198 1.568 250 HD3 PRO 555 2HD PRO 555 -14.231 13.625 2.390 251 H GLN 556 H GLN 556 -11.603 16.064 0.752 252 HA GLN 556 HA GLN 556 -9.797 16.139 -1.534 253 HB2 GLN 556 1HB GLN 556 -11.817 17.998 -0.366 254 HB3 GLN 556 2HB GLN 556 -10.513 18.683 -1.327 255 HG2 GLN 556 1HG GLN 556 -12.126 16.408 -2.393 256 HG3 GLN 556 2HG GLN 556 -12.753 18.055 -2.458 257 HE21 GLN 556 2HE2 GLN 556 -12.317 16.640 -4.752 258 HE22 GLN 556 1HE2 GLN 556 -10.987 17.322 -5.617 259 H GLU 557 H GLU 557 -10.167 17.842 1.578 260 HA GLU 557 HA GLU 557 -7.781 19.270 1.504 261 HB2 GLU 557 1HB GLU 557 -9.801 19.277 3.203 262 HB3 GLU 557 2HB GLU 557 -8.768 18.178 4.105 263 HG2 GLU 557 1HG GLU 557 -6.961 19.933 3.923 264 HG3 GLU 557 2HG GLU 557 -8.213 21.024 3.332 265 H GLN 558 H GLN 558 -8.357 15.917 2.121 266 HA GLN 558 HA GLN 558 -6.171 15.168 3.626 267 HB2 GLN 558 1HB GLN 558 -7.464 13.695 1.326 268 HB3 GLN 558 2HB GLN 558 -6.334 12.969 2.461 269 HG2 GLN 558 1HG GLN 558 -8.280 14.161 4.052 270 HG3 GLN 558 2HG GLN 558 -9.165 13.423 2.718 271 HE21 GLN 558 2HE2 GLN 558 -9.317 12.601 5.406 272 HE22 GLN 558 1HE2 GLN 558 -8.696 10.993 5.511 273 H LYS 559 H LYS 559 -6.225 14.628 0.112 274 HA LYS 559 HA LYS 559 -3.506 14.328 -0.235 275 HB2 LYS 559 1HB LYS 559 -3.939 15.051 -2.620 276 HB3 LYS 559 2HB LYS 559 -4.948 13.738 -2.027 277 HG2 LYS 559 1HG LYS 559 -6.751 15.371 -1.592 278 HG3 LYS 559 2HG LYS 559 -5.739 16.630 -2.305 279 HD2 LYS 559 1HD LYS 559 -7.207 15.910 -4.018 280 HD3 LYS 559 2HD LYS 559 -5.636 15.193 -4.383 281 HE2 LYS 559 1HE LYS 559 -7.238 13.486 -4.717 282 HE3 LYS 559 2HE LYS 559 -6.441 13.122 -3.187 283 HZ1 LYS 559 3HZ LYS 559 -9.131 13.312 -3.593 284 HZ2 LYS 559 1HZ LYS 559 -8.745 14.779 -2.844 285 HZ3 LYS 559 2HZ LYS 559 -8.351 13.316 -2.092 286 H GLN 560 H GLN 560 -5.366 17.261 0.087 287 HA GLN 560 HA GLN 560 -3.477 19.085 -0.922 288 HB2 GLN 560 1HB GLN 560 -6.027 19.218 0.245 289 HB3 GLN 560 2HB GLN 560 -4.988 20.198 1.272 290 HG2 GLN 560 1HG GLN 560 -4.980 21.845 -0.201 291 HG3 GLN 560 2HG GLN 560 -4.460 20.761 -1.490 292 HE21 GLN 560 2HE2 GLN 560 -6.203 19.409 -2.454 293 HE22 GLN 560 1HE2 GLN 560 -7.748 20.146 -2.686 294 H MET 561 H MET 561 -4.263 18.450 2.503 295 HA MET 561 HA MET 561 -1.961 19.752 3.493 296 HB2 MET 561 1HB MET 561 -3.574 17.613 4.888 297 HB3 MET 561 2HB MET 561 -2.565 18.840 5.642 298 HG2 MET 561 1HG MET 561 -4.065 20.573 5.017 299 HG3 MET 561 2HG MET 561 -4.990 19.480 3.990 300 HE1 MET 561 3HE MET 561 -7.262 17.859 5.378 301 HE2 MET 561 1HE MET 561 -5.678 17.247 4.900 302 HE3 MET 561 2HE MET 561 -6.290 16.935 6.524 303 H LEU 562 H LEU 562 -2.730 16.274 3.288 304 HA LEU 562 HA LEU 562 -0.324 15.261 4.185 305 HB2 LEU 562 1HB LEU 562 -2.523 14.078 3.501 306 HB3 LEU 562 2HB LEU 562 -1.782 13.980 1.905 307 HG LEU 562 HG LEU 562 -0.496 12.859 4.388 308 HD11 LEU 562 1HD1 LEU 562 -1.811 11.075 4.323 309 HD12 LEU 562 2HD1 LEU 562 -1.546 10.878 2.591 310 HD13 LEU 562 3HD1 LEU 562 -2.836 11.930 3.171 311 HD21 LEU 562 3HD2 LEU 562 0.760 11.530 2.721 312 HD22 LEU 562 1HD2 LEU 562 1.045 13.265 2.581 313 HD23 LEU 562 2HD2 LEU 562 -0.024 12.451 1.437 314 H GLY 563 H GLY 563 -1.244 15.860 0.787 315 HA2 GLY 563 1HA GLY 563 1.199 15.182 -0.373 316 HA3 GLY 563 2HA GLY 563 0.037 16.305 -1.064 317 H GLU 564 H GLU 564 0.044 18.474 0.382 318 HA GLU 564 HA GLU 564 2.343 19.849 -0.287 319 HB2 GLU 564 1HB GLU 564 0.239 20.401 1.796 320 HB3 GLU 564 2HB GLU 564 1.561 21.519 1.492 321 HG2 GLU 564 1HG GLU 564 -0.163 20.583 -0.759 322 HG3 GLU 564 2HG GLU 564 -0.713 21.870 0.313 323 H ARG 565 H ARG 565 1.548 18.190 2.722 324 HA ARG 565 HA ARG 565 3.871 19.084 4.124 325 HB2 ARG 565 1HB ARG 565 1.666 17.158 4.621 326 HB3 ARG 565 2HB ARG 565 3.161 16.897 5.510 327 HG2 ARG 565 1HG ARG 565 1.837 19.582 5.466 328 HG3 ARG 565 2HG ARG 565 1.326 18.321 6.591 329 HD2 ARG 565 1HD ARG 565 4.055 19.576 6.357 330 HD3 ARG 565 2HD ARG 565 2.923 19.717 7.701 331 HE ARG 565 HE ARG 565 3.431 17.026 7.437 332 HH11 ARG 565 1HH1 ARG 565 5.303 19.901 8.032 333 HH12 ARG 565 2HH1 ARG 565 6.507 19.081 8.968 334 HH21 ARG 565 1HH2 ARG 565 5.011 15.935 8.668 335 HH22 ARG 565 2HH2 ARG 565 6.340 16.824 9.329 336 H LEU 566 H LEU 566 3.108 16.376 2.058 337 HA LEU 566 HA LEU 566 5.423 14.836 2.746 338 HB2 LEU 566 1HB LEU 566 3.094 14.538 1.098 339 HB3 LEU 566 2HB LEU 566 4.534 14.093 0.185 340 HG LEU 566 HG LEU 566 5.116 12.444 1.887 341 HD11 LEU 566 1HD1 LEU 566 2.917 13.770 3.335 342 HD12 LEU 566 2HD1 LEU 566 4.377 12.991 3.945 343 HD13 LEU 566 3HD1 LEU 566 2.989 12.013 3.469 344 HD21 LEU 566 3HD2 LEU 566 3.906 11.417 0.227 345 HD22 LEU 566 1HD2 LEU 566 2.453 12.362 0.549 346 HD23 LEU 566 2HD2 LEU 566 2.911 11.052 1.637 347 H PHE 567 H PHE 567 4.735 17.420 0.561 348 HA PHE 567 HA PHE 567 6.594 17.106 -1.439 349 HB2 PHE 567 1HB PHE 567 4.957 19.176 -0.525 350 HB3 PHE 567 2HB PHE 567 6.584 19.847 -0.488 351 HD1 PHE 567 HD2 PHE 567 7.939 18.823 -2.742 352 HD2 PHE 567 HD1 PHE 567 3.828 19.868 -2.389 353 HE1 PHE 567 HE2 PHE 567 7.833 19.213 -5.169 354 HE2 PHE 567 HE1 PHE 567 3.715 20.258 -4.816 355 HZ PHE 567 HZ PHE 567 5.719 19.932 -6.209 356 HA PRO 568 HA PRO 568 9.972 19.223 1.291 357 HB2 PRO 568 1HB PRO 568 9.413 19.555 3.927 358 HB3 PRO 568 2HB PRO 568 9.025 20.769 2.702 359 HG2 PRO 568 1HG PRO 568 7.248 18.719 3.969 360 HG3 PRO 568 2HG PRO 568 6.914 20.425 3.616 361 HD2 PRO 568 1HD PRO 568 6.025 18.411 2.040 362 HD3 PRO 568 2HD PRO 568 6.458 20.007 1.396 363 H LEU 569 H LEU 569 7.967 16.914 3.105 364 HA LEU 569 HA LEU 569 9.913 15.652 4.597 365 HB2 LEU 569 1HB LEU 569 7.327 15.300 4.425 366 HB3 LEU 569 2HB LEU 569 7.774 14.032 3.286 367 HG LEU 569 HG LEU 569 7.368 13.145 5.528 368 HD11 LEU 569 1HD1 LEU 569 9.157 11.686 5.546 369 HD12 LEU 569 2HD1 LEU 569 10.316 12.933 5.091 370 HD13 LEU 569 3HD1 LEU 569 9.192 12.294 3.891 371 HD21 LEU 569 3HD2 LEU 569 8.548 13.783 7.425 372 HD22 LEU 569 1HD2 LEU 569 8.227 15.319 6.619 373 HD23 LEU 569 2HD2 LEU 569 9.820 14.572 6.491 374 H ILE 570 H ILE 570 9.001 15.081 1.231 375 HA ILE 570 HA ILE 570 10.796 12.874 0.891 376 HB ILE 570 HB ILE 570 9.250 14.557 -1.071 377 HG12 ILE 570 1HG1 ILE 570 8.898 11.622 -0.783 378 HG13 ILE 570 2HG1 ILE 570 8.346 12.621 0.557 379 HG21 ILE 570 1HG2 ILE 570 9.946 12.627 -2.666 380 HG22 ILE 570 2HG2 ILE 570 11.050 13.974 -2.394 381 HG23 ILE 570 3HG2 ILE 570 11.304 12.442 -1.557 382 HD11 ILE 570 3HD1 ILE 570 6.748 11.982 -1.416 383 HD12 ILE 570 1HD1 ILE 570 6.675 13.576 -0.665 384 HD13 ILE 570 2HD1 ILE 570 7.521 13.361 -2.198 385 H GLN 571 H GLN 571 10.932 16.337 0.347 386 HA GLN 571 HA GLN 571 13.184 16.493 -1.278 387 HB2 GLN 571 1HB GLN 571 12.146 18.366 0.846 388 HB3 GLN 571 2HB GLN 571 13.507 18.764 -0.194 389 HG2 GLN 571 1HG GLN 571 12.174 18.812 -2.115 390 HG3 GLN 571 2HG GLN 571 10.848 17.966 -1.320 391 HE21 GLN 571 2HE2 GLN 571 12.796 20.805 -0.465 392 HE22 GLN 571 1HE2 GLN 571 11.455 21.869 -0.233 393 H ALA 572 H ALA 572 12.910 15.567 2.010 394 HA ALA 572 HA ALA 572 15.354 16.281 3.094 395 HB1 ALA 572 3HB ALA 572 15.077 14.423 4.625 396 HB2 ALA 572 1HB ALA 572 13.531 15.228 4.361 397 HB3 ALA 572 2HB ALA 572 13.875 13.695 3.559 398 H MET 573 H MET 573 14.604 13.811 0.750 399 HA MET 573 HA MET 573 17.464 13.111 0.646 400 HB2 MET 573 1HB MET 573 16.713 10.855 -0.183 401 HB3 MET 573 2HB MET 573 16.346 11.188 1.504 402 HG2 MET 573 1HG MET 573 14.123 12.064 0.040 403 HG3 MET 573 2HG MET 573 14.581 10.505 -0.642 404 HE1 MET 573 3HE MET 573 11.664 11.119 1.999 405 HE2 MET 573 1HE MET 573 12.818 11.795 3.149 406 HE3 MET 573 2HE MET 573 12.761 12.406 1.495 407 H HIS 574 H HIS 574 14.463 13.565 -1.143 408 HA HIS 574 HA HIS 574 16.064 13.936 -3.588 409 HB2 HIS 574 1HB HIS 574 13.454 12.513 -3.188 410 HB3 HIS 574 2HB HIS 574 13.821 13.255 -4.743 411 HD1 HIS 574 HD1 HIS 574 15.761 12.207 -6.126 412 HD2 HIS 574 HD2 HIS 574 14.861 10.183 -2.611 413 HE1 HIS 574 HE1 HIS 574 16.924 9.985 -6.313 414 HA PRO 575 HA PRO 575 13.816 17.863 -2.575 415 HB2 PRO 575 1HB PRO 575 15.930 19.480 -3.111 416 HB3 PRO 575 2HB PRO 575 15.671 18.729 -1.532 417 HG2 PRO 575 1HG PRO 575 17.482 17.880 -3.759 418 HG3 PRO 575 2HG PRO 575 17.801 17.932 -2.015 419 HD2 PRO 575 1HD PRO 575 17.178 15.639 -3.314 420 HD3 PRO 575 2HD PRO 575 16.710 15.939 -1.628 421 H THR 576 H THR 576 15.241 16.409 -5.269 422 HA THR 576 HA THR 576 14.452 18.579 -7.079 423 HB THR 576 HB THR 576 15.537 16.873 -8.788 424 HG1 THR 576 HG1 THR 576 15.830 15.356 -6.915 425 HG21 THR 576 3HG2 THR 576 17.805 17.911 -8.181 426 HG22 THR 576 1HG2 THR 576 16.933 18.745 -6.896 427 HG23 THR 576 2HG2 THR 576 16.485 19.009 -8.581 428 H LEU 577 H LEU 577 13.951 15.116 -6.510 429 HA LEU 577 HA LEU 577 11.773 15.100 -8.461 430 HB2 LEU 577 1HB LEU 577 13.120 12.879 -6.936 431 HB3 LEU 577 2HB LEU 577 11.767 12.643 -8.040 432 HG LEU 577 HG LEU 577 13.678 12.036 -9.257 433 HD11 LEU 577 1HD1 LEU 577 12.060 13.974 -10.154 434 HD12 LEU 577 2HD1 LEU 577 13.381 13.298 -11.106 435 HD13 LEU 577 3HD1 LEU 577 13.606 14.818 -10.241 436 HD21 LEU 577 3HD2 LEU 577 15.164 14.559 -8.931 437 HD22 LEU 577 1HD2 LEU 577 15.748 12.898 -9.031 438 HD23 LEU 577 2HD2 LEU 577 15.100 13.515 -7.511 439 H ALA 578 H ALA 578 11.787 16.304 -5.647 440 HA ALA 578 HA ALA 578 10.152 14.853 -3.929 441 HB1 ALA 578 3HB ALA 578 9.729 17.780 -4.043 442 HB2 ALA 578 1HB ALA 578 10.063 16.732 -2.664 443 HB3 ALA 578 2HB ALA 578 11.373 17.218 -3.740 444 H GLY 579 H GLY 579 9.158 17.374 -6.259 445 HA2 GLY 579 1HA GLY 579 6.424 17.225 -5.905 446 HA3 GLY 579 2HA GLY 579 7.197 17.644 -7.427 447 H LYS 580 H LYS 580 8.368 15.350 -8.227 448 HA LYS 580 HA LYS 580 6.226 13.879 -9.292 449 HB2 LYS 580 1HB LYS 580 9.162 13.745 -9.360 450 HB3 LYS 580 2HB LYS 580 8.364 12.191 -9.567 451 HG2 LYS 580 1HG LYS 580 7.852 14.658 -11.217 452 HG3 LYS 580 2HG LYS 580 8.827 13.270 -11.706 453 HD2 LYS 580 1HD LYS 580 6.645 11.930 -11.152 454 HD3 LYS 580 2HD LYS 580 5.867 13.498 -11.382 455 HE2 LYS 580 1HE LYS 580 7.810 12.576 -13.435 456 HE3 LYS 580 2HE LYS 580 6.226 11.805 -13.386 457 HZ1 LYS 580 3HZ LYS 580 6.807 14.119 -14.665 458 HZ2 LYS 580 1HZ LYS 580 6.103 14.670 -13.229 459 HZ3 LYS 580 2HZ LYS 580 5.254 13.607 -14.233 460 H ILE 581 H ILE 581 8.539 13.066 -6.716 461 HA ILE 581 HA ILE 581 7.589 10.507 -6.140 462 HB ILE 581 HB ILE 581 8.873 12.533 -4.308 463 HG12 ILE 581 1HG1 ILE 581 10.197 10.060 -5.343 464 HG13 ILE 581 2HG1 ILE 581 10.034 11.445 -6.417 465 HG21 ILE 581 1HG2 ILE 581 7.666 10.974 -2.941 466 HG22 ILE 581 2HG2 ILE 581 8.301 9.610 -3.858 467 HG23 ILE 581 3HG2 ILE 581 9.383 10.579 -2.859 468 HD11 ILE 581 3HD1 ILE 581 11.625 11.168 -3.913 469 HD12 ILE 581 1HD1 ILE 581 12.112 11.774 -5.495 470 HD13 ILE 581 2HD1 ILE 581 11.090 12.761 -4.449 471 H THR 582 H THR 582 6.897 13.489 -4.303 472 HA THR 582 HA THR 582 4.927 12.466 -2.651 473 HB THR 582 HB THR 582 5.987 14.752 -2.490 474 HG1 THR 582 HG1 THR 582 3.184 15.026 -2.368 475 HG21 THR 582 3HG2 THR 582 3.854 15.448 -4.513 476 HG22 THR 582 1HG2 THR 582 5.593 15.467 -4.803 477 HG23 THR 582 2HG2 THR 582 4.878 16.597 -3.653 478 H GLY 583 H GLY 583 4.689 13.598 -5.969 479 HA2 GLY 583 1HA GLY 583 1.889 13.782 -6.152 480 HA3 GLY 583 2HA GLY 583 2.982 13.500 -7.499 481 H MET 584 H MET 584 3.972 11.122 -7.306 482 HA MET 584 HA MET 584 1.819 9.375 -7.830 483 HB2 MET 584 1HB MET 584 4.675 8.592 -7.240 484 HB3 MET 584 2HB MET 584 3.488 7.666 -8.149 485 HG2 MET 584 1HG MET 584 3.528 9.233 -9.942 486 HG3 MET 584 2HG MET 584 4.509 10.359 -9.006 487 HE1 MET 584 3HE MET 584 6.646 9.298 -7.758 488 HE2 MET 584 1HE MET 584 7.921 8.610 -8.765 489 HE3 MET 584 2HE MET 584 7.313 10.232 -9.099 490 H LEU 585 H LEU 585 3.982 9.724 -5.050 491 HA LEU 585 HA LEU 585 3.086 7.500 -3.594 492 HB2 LEU 585 1HB LEU 585 4.514 10.021 -2.960 493 HB3 LEU 585 2HB LEU 585 3.805 9.130 -1.615 494 HG LEU 585 HG LEU 585 5.145 7.175 -2.189 495 HD11 LEU 585 1HD1 LEU 585 5.220 7.701 -4.647 496 HD12 LEU 585 2HD1 LEU 585 6.740 7.158 -3.940 497 HD13 LEU 585 3HD1 LEU 585 6.488 8.870 -4.280 498 HD21 LEU 585 3HD2 LEU 585 6.258 9.769 -1.443 499 HD22 LEU 585 1HD2 LEU 585 7.455 8.640 -2.078 500 HD23 LEU 585 2HD2 LEU 585 6.463 8.185 -0.692 501 H LEU 586 H LEU 586 1.758 10.698 -4.001 502 HA LEU 586 HA LEU 586 -0.133 10.416 -1.836 503 HB2 LEU 586 1HB LEU 586 0.639 12.616 -2.273 504 HB3 LEU 586 2HB LEU 586 0.261 12.478 -3.989 505 HG LEU 586 HG LEU 586 -1.989 12.277 -2.059 506 HD11 LEU 586 1HD1 LEU 586 -0.177 14.506 -2.103 507 HD12 LEU 586 2HD1 LEU 586 -1.603 14.238 -1.100 508 HD13 LEU 586 3HD1 LEU 586 -1.769 14.993 -2.686 509 HD21 LEU 586 3HD2 LEU 586 -2.842 12.137 -4.153 510 HD22 LEU 586 1HD2 LEU 586 -1.510 13.040 -4.876 511 HD23 LEU 586 2HD2 LEU 586 -2.797 13.897 -4.027 512 H GLU 587 H GLU 587 0.033 9.567 -5.144 513 HA GLU 587 HA GLU 587 -2.793 9.576 -5.650 514 HB2 GLU 587 1HB GLU 587 -0.744 9.659 -7.316 515 HB3 GLU 587 2HB GLU 587 -0.897 7.909 -7.247 516 HG2 GLU 587 1HG GLU 587 -2.148 8.586 -9.109 517 HG3 GLU 587 2HG GLU 587 -3.327 8.224 -7.850 518 H ILE 588 H ILE 588 -0.390 6.966 -5.271 519 HA ILE 588 HA ILE 588 -1.809 4.721 -5.395 520 HB ILE 588 HB ILE 588 -0.543 4.126 -3.084 521 HG12 ILE 588 1HG1 ILE 588 1.185 6.285 -4.279 522 HG13 ILE 588 2HG1 ILE 588 0.076 6.618 -2.954 523 HG21 ILE 588 1HG2 ILE 588 -0.220 3.562 -5.711 524 HG22 ILE 588 2HG2 ILE 588 1.294 4.395 -5.361 525 HG23 ILE 588 3HG2 ILE 588 0.837 2.968 -4.431 526 HD11 ILE 588 3HD1 ILE 588 2.544 4.945 -2.978 527 HD12 ILE 588 1HD1 ILE 588 2.067 6.228 -1.867 528 HD13 ILE 588 2HD1 ILE 588 1.280 4.651 -1.784 529 H ASP 589 H ASP 589 -1.602 6.478 -2.295 530 HA ASP 589 HA ASP 589 -4.303 6.569 -1.721 531 HB2 ASP 589 1HB ASP 589 -3.271 3.911 -1.493 532 HB3 ASP 589 2HB ASP 589 -3.683 4.493 0.118 533 H ASN 590 H ASN 590 -4.152 8.312 -0.473 534 HA ASN 590 HA ASN 590 -2.004 9.112 1.063 535 HB2 ASN 590 1HB ASN 590 -4.916 9.776 1.076 536 HB3 ASN 590 2HB ASN 590 -3.918 10.359 2.405 537 HD21 ASN 590 2HD2 ASN 590 -5.281 11.484 -0.155 538 HD22 ASN 590 1HD2 ASN 590 -4.073 12.546 -0.785 539 H SER 591 H SER 591 -4.812 7.189 2.033 540 HA SER 591 HA SER 591 -4.375 7.064 4.765 541 HB2 SER 591 1HB SER 591 -6.254 6.030 3.183 542 HB3 SER 591 2HB SER 591 -5.275 4.577 3.386 543 HG SER 591 HG SER 591 -6.765 6.007 5.264 544 H GLU 592 H GLU 592 -2.923 5.159 2.174 545 HA GLU 592 HA GLU 592 -1.551 3.334 3.851 546 HB2 GLU 592 1HB GLU 592 -1.995 2.925 1.452 547 HB3 GLU 592 2HB GLU 592 -0.864 4.206 1.039 548 HG2 GLU 592 1HG GLU 592 0.318 2.204 0.760 549 HG3 GLU 592 2HG GLU 592 0.891 2.882 2.283 550 H LEU 593 H LEU 593 -0.779 6.514 2.602 551 HA LEU 593 HA LEU 593 1.983 6.462 3.285 552 HB2 LEU 593 1HB LEU 593 0.436 9.005 3.154 553 HB3 LEU 593 2HB LEU 593 2.065 8.652 2.581 554 HG LEU 593 HG LEU 593 -0.522 7.829 1.264 555 HD11 LEU 593 1HD1 LEU 593 0.722 10.255 1.186 556 HD12 LEU 593 2HD1 LEU 593 -0.320 9.606 -0.078 557 HD13 LEU 593 3HD1 LEU 593 1.430 9.433 -0.205 558 HD21 LEU 593 3HD2 LEU 593 2.271 7.417 0.224 559 HD22 LEU 593 1HD2 LEU 593 0.758 6.791 -0.432 560 HD23 LEU 593 2HD2 LEU 593 1.377 6.172 1.099 561 H LEU 594 H LEU 594 -0.946 7.488 4.942 562 HA LEU 594 HA LEU 594 0.282 8.803 7.108 563 HB2 LEU 594 1HB LEU 594 -2.390 7.639 6.558 564 HB3 LEU 594 2HB LEU 594 -1.975 7.962 8.240 565 HG LEU 594 HG LEU 594 -2.027 9.996 6.011 566 HD11 LEU 594 1HD1 LEU 594 -4.258 9.286 6.615 567 HD12 LEU 594 2HD1 LEU 594 -3.956 10.908 7.239 568 HD13 LEU 594 3HD1 LEU 594 -3.899 9.521 8.326 569 HD21 LEU 594 3HD2 LEU 594 -2.036 11.263 8.487 570 HD22 LEU 594 1HD2 LEU 594 -0.704 11.197 7.333 571 HD23 LEU 594 2HD2 LEU 594 -0.807 10.005 8.629 572 H HIS 595 H HIS 595 0.137 5.514 6.280 573 HA HIS 595 HA HIS 595 0.874 4.733 9.025 574 HB2 HIS 595 1HB HIS 595 -1.192 3.713 7.647 575 HB3 HIS 595 2HB HIS 595 0.084 2.649 7.061 576 HD1 HIS 595 HD1 HIS 595 1.680 2.356 9.705 577 HD2 HIS 595 HD2 HIS 595 -2.449 2.023 9.384 578 HE1 HIS 595 HE1 HIS 595 0.961 0.975 11.681 579 H MET 596 H MET 596 1.948 5.056 5.817 580 HA MET 596 HA MET 596 4.106 3.120 6.112 581 HB2 MET 596 1HB MET 596 3.278 3.055 3.938 582 HB3 MET 596 2HB MET 596 3.072 4.799 3.856 583 HG2 MET 596 1HG MET 596 5.838 3.831 4.164 584 HG3 MET 596 2HG MET 596 5.048 3.472 2.630 585 HE1 MET 596 3HE MET 596 3.344 5.225 1.849 586 HE2 MET 596 1HE MET 596 3.501 6.971 2.046 587 HE3 MET 596 2HE MET 596 4.407 6.142 0.780 588 H LEU 597 H LEU 597 3.555 6.572 6.157 589 HA LEU 597 HA LEU 597 6.240 7.410 5.937 590 HB2 LEU 597 1HB LEU 597 5.472 9.518 6.362 591 HB3 LEU 597 2HB LEU 597 3.987 8.734 5.826 592 HG LEU 597 HG LEU 597 3.384 10.046 7.681 593 HD11 LEU 597 1HD1 LEU 597 3.050 7.324 7.699 594 HD12 LEU 597 2HD1 LEU 597 2.220 8.471 8.750 595 HD13 LEU 597 3HD1 LEU 597 3.675 7.651 9.315 596 HD21 LEU 597 3HD2 LEU 597 5.994 9.889 8.433 597 HD22 LEU 597 1HD2 LEU 597 5.213 8.884 9.654 598 HD23 LEU 597 2HD2 LEU 597 4.697 10.555 9.426 599 H GLU 598 H GLU 598 4.649 5.746 8.393 600 HA GLU 598 HA GLU 598 6.385 6.763 10.511 601 HB2 GLU 598 1HB GLU 598 5.030 5.442 12.029 602 HB3 GLU 598 2HB GLU 598 3.989 6.414 10.998 603 HG2 GLU 598 1HG GLU 598 3.044 4.623 10.041 604 HG3 GLU 598 2HG GLU 598 4.560 3.725 9.979 605 H SER 599 H SER 599 7.497 5.264 8.285 606 HA SER 599 HA SER 599 8.937 3.277 9.830 607 HB2 SER 599 1HB SER 599 7.209 1.850 9.017 608 HB3 SER 599 2HB SER 599 7.281 2.564 7.406 609 HG SER 599 HG SER 599 8.979 0.707 8.616 610 HA PRO 600 HA PRO 600 12.191 5.006 7.394 611 HB2 PRO 600 1HB PRO 600 14.127 3.225 8.066 612 HB3 PRO 600 2HB PRO 600 13.566 4.493 9.162 613 HG2 PRO 600 1HG PRO 600 12.816 1.596 9.074 614 HG3 PRO 600 2HG PRO 600 13.176 2.616 10.479 615 HD2 PRO 600 1HD PRO 600 10.646 2.012 9.727 616 HD3 PRO 600 2HD PRO 600 11.071 3.556 10.494 617 H GLU 601 H GLU 601 11.929 1.444 7.364 618 HA GLU 601 HA GLU 601 13.169 1.125 4.844 619 HB2 GLU 601 1HB GLU 601 12.866 -0.644 6.636 620 HB3 GLU 601 2HB GLU 601 11.197 -0.782 6.100 621 HG2 GLU 601 1HG GLU 601 12.355 -2.513 5.027 622 HG3 GLU 601 2HG GLU 601 12.111 -1.273 3.798 623 H SER 602 H SER 602 9.947 1.926 5.799 624 HA SER 602 HA SER 602 8.760 1.229 3.257 625 HB2 SER 602 1HB SER 602 7.674 1.342 5.681 626 HB3 SER 602 2HB SER 602 7.364 3.011 5.203 627 HG SER 602 HG SER 602 6.531 1.896 3.174 628 H LEU 603 H LEU 603 9.664 4.187 4.983 629 HA LEU 603 HA LEU 603 8.709 6.024 3.089 630 HB2 LEU 603 1HB LEU 603 9.350 6.652 5.356 631 HB3 LEU 603 2HB LEU 603 11.033 6.274 4.995 632 HG LEU 603 HG LEU 603 10.266 8.742 5.019 633 HD11 LEU 603 1HD1 LEU 603 11.655 8.309 2.482 634 HD12 LEU 603 2HD1 LEU 603 12.341 7.421 3.842 635 HD13 LEU 603 3HD1 LEU 603 12.171 9.174 3.930 636 HD21 LEU 603 3HD2 LEU 603 8.294 8.328 3.561 637 HD22 LEU 603 1HD2 LEU 603 9.402 7.987 2.232 638 HD23 LEU 603 2HD2 LEU 603 9.370 9.592 2.964 639 H ARG 604 H ARG 604 12.047 4.861 3.587 640 HA ARG 604 HA ARG 604 13.151 6.093 1.332 641 HB2 ARG 604 1HB ARG 604 14.526 5.181 3.131 642 HB3 ARG 604 2HB ARG 604 14.002 3.551 2.731 643 HG2 ARG 604 1HG ARG 604 15.392 3.390 0.958 644 HG3 ARG 604 2HG ARG 604 15.253 5.102 0.553 645 HD2 ARG 604 1HD ARG 604 17.123 5.583 1.657 646 HD3 ARG 604 2HD ARG 604 16.544 4.760 3.104 647 HE ARG 604 HE ARG 604 18.424 3.766 1.210 648 HH11 ARG 604 1HH1 ARG 604 15.888 2.808 3.393 649 HH12 ARG 604 2HH1 ARG 604 16.510 1.207 3.620 650 HH21 ARG 604 1HH2 ARG 604 19.253 1.662 1.500 651 HH22 ARG 604 2HH2 ARG 604 18.425 0.556 2.544 652 H SER 605 H SER 605 11.496 3.019 1.712 653 HA SER 605 HA SER 605 12.168 1.878 -0.765 654 HB2 SER 605 1HB SER 605 11.203 0.430 0.837 655 HB3 SER 605 2HB SER 605 9.824 1.499 1.094 656 HG SER 605 HG SER 605 9.138 -0.162 -0.204 657 H LYS 606 H LYS 606 9.270 3.716 0.193 658 HA LYS 606 HA LYS 606 8.048 3.753 -2.325 659 HB2 LYS 606 1HB LYS 606 7.870 5.709 -0.029 660 HB3 LYS 606 2HB LYS 606 6.825 5.762 -1.443 661 HG2 LYS 606 1HG LYS 606 7.024 3.506 0.542 662 HG3 LYS 606 2HG LYS 606 5.707 4.672 0.404 663 HD2 LYS 606 1HD LYS 606 6.534 2.657 -1.685 664 HD3 LYS 606 2HD LYS 606 5.103 2.565 -0.656 665 HE2 LYS 606 1HE LYS 606 4.268 4.645 -1.663 666 HE3 LYS 606 2HE LYS 606 5.687 4.700 -2.708 667 HZ1 LYS 606 3HZ LYS 606 4.782 2.261 -3.241 668 HZ2 LYS 606 1HZ LYS 606 4.312 3.633 -4.112 669 HZ3 LYS 606 2HZ LYS 606 3.318 3.029 -2.885 670 H VAL 607 H VAL 607 9.922 6.354 -0.752 671 HA VAL 607 HA VAL 607 10.002 8.140 -2.851 672 HB VAL 607 HB VAL 607 12.151 7.581 -0.804 673 HG11 VAL 607 1HG1 VAL 607 12.075 9.416 -3.067 674 HG12 VAL 607 2HG1 VAL 607 12.380 10.221 -1.527 675 HG13 VAL 607 3HG1 VAL 607 13.433 8.911 -2.063 676 HG21 VAL 607 3HG2 VAL 607 10.286 9.913 -0.759 677 HG22 VAL 607 1HG2 VAL 607 9.737 8.343 -0.174 678 HG23 VAL 607 2HG2 VAL 607 11.130 9.124 0.573 679 H ASP 608 H ASP 608 12.413 5.622 -2.104 680 HA ASP 608 HA ASP 608 14.104 6.054 -4.267 681 HB2 ASP 608 1HB ASP 608 14.869 4.614 -2.549 682 HB3 ASP 608 2HB ASP 608 13.459 3.568 -2.690 683 H GLU 609 H GLU 609 11.321 3.852 -4.019 684 HA GLU 609 HA GLU 609 11.475 2.729 -6.559 685 HB2 GLU 609 1HB GLU 609 9.984 1.892 -4.800 686 HB3 GLU 609 2HB GLU 609 9.000 3.342 -4.936 687 HG2 GLU 609 1HG GLU 609 8.758 2.625 -7.420 688 HG3 GLU 609 2HG GLU 609 9.248 1.043 -6.817 689 H ALA 610 H ALA 610 9.512 5.516 -5.516 690 HA ALA 610 HA ALA 610 8.391 6.203 -7.936 691 HB1 ALA 610 3HB ALA 610 7.508 7.513 -6.322 692 HB2 ALA 610 1HB ALA 610 9.035 7.656 -5.451 693 HB3 ALA 610 2HB ALA 610 8.738 8.647 -6.880 694 H VAL 611 H VAL 611 11.350 7.663 -6.569 695 HA VAL 611 HA VAL 611 12.104 9.176 -8.746 696 HB VAL 611 HB VAL 611 14.017 7.709 -6.927 697 HG11 VAL 611 1HG1 VAL 611 14.658 10.411 -7.856 698 HG12 VAL 611 2HG1 VAL 611 15.671 8.969 -7.770 699 HG13 VAL 611 3HG1 VAL 611 14.581 9.203 -9.138 700 HG21 VAL 611 3HG2 VAL 611 13.608 10.417 -6.154 701 HG22 VAL 611 1HG2 VAL 611 12.037 9.624 -6.268 702 HG23 VAL 611 2HG2 VAL 611 13.293 8.947 -5.231 703 H ALA 612 H ALA 612 12.709 5.753 -8.129 704 HA ALA 612 HA ALA 612 14.478 5.279 -10.258 705 HB1 ALA 612 3HB ALA 612 12.519 3.261 -9.197 706 HB2 ALA 612 1HB ALA 612 14.122 2.980 -9.879 707 HB3 ALA 612 2HB ALA 612 13.957 3.754 -8.302 708 H VAL 613 H VAL 613 10.945 5.125 -10.071 709 HA VAL 613 HA VAL 613 10.513 4.109 -12.666 710 HB VAL 613 HB VAL 613 8.707 5.798 -10.931 711 HG11 VAL 613 1HG1 VAL 613 8.432 4.999 -13.667 712 HG12 VAL 613 2HG1 VAL 613 7.208 4.190 -12.686 713 HG13 VAL 613 3HG1 VAL 613 7.332 5.950 -12.668 714 HG21 VAL 613 3HG2 VAL 613 7.605 3.401 -10.811 715 HG22 VAL 613 1HG2 VAL 613 9.255 2.884 -11.157 716 HG23 VAL 613 2HG2 VAL 613 8.919 3.863 -9.730 717 H LEU 614 H LEU 614 10.777 7.400 -11.413 718 HA LEU 614 HA LEU 614 9.945 8.848 -13.614 719 HB2 LEU 614 1HB LEU 614 12.234 9.520 -11.771 720 HB3 LEU 614 2HB LEU 614 11.357 10.657 -12.794 721 HG LEU 614 HG LEU 614 10.356 9.228 -10.339 722 HD11 LEU 614 1HD1 LEU 614 10.210 11.346 -9.366 723 HD12 LEU 614 2HD1 LEU 614 10.353 12.171 -10.918 724 HD13 LEU 614 3HD1 LEU 614 11.755 11.364 -10.216 725 HD21 LEU 614 3HD2 LEU 614 8.873 10.539 -12.565 726 HD22 LEU 614 1HD2 LEU 614 8.287 10.739 -10.914 727 HD23 LEU 614 2HD2 LEU 614 8.447 9.124 -11.603 728 H GLN 615 H GLN 615 12.926 7.109 -13.107 729 HA GLN 615 HA GLN 615 14.542 8.266 -15.054 730 HB2 GLN 615 1HB GLN 615 15.135 6.479 -13.316 731 HB3 GLN 615 2HB GLN 615 14.513 5.311 -14.474 732 HG2 GLN 615 1HG GLN 615 16.591 7.279 -15.316 733 HG3 GLN 615 2HG GLN 615 17.049 5.845 -14.398 734 HE21 GLN 615 2HE2 GLN 615 17.819 6.494 -17.070 735 HE22 GLN 615 1HE2 GLN 615 17.208 5.246 -18.097 736 H ALA 616 H ALA 616 11.787 6.208 -15.376 737 HA ALA 616 HA ALA 616 12.348 5.324 -18.044 738 HB1 ALA 616 3HB ALA 616 10.944 3.916 -16.783 739 HB2 ALA 616 1HB ALA 616 9.885 5.249 -16.324 740 HB3 ALA 616 2HB ALA 616 9.898 4.664 -17.988 741 H HIS 617 H HIS 617 10.948 8.140 -16.626 742 HA HIS 617 HA HIS 617 9.784 8.978 -19.180 743 HB2 HIS 617 1HB HIS 617 8.536 9.174 -16.949 744 HB3 HIS 617 2HB HIS 617 9.639 10.497 -16.580 745 HD1 HIS 617 HD1 HIS 617 9.653 12.388 -18.668 746 HD2 HIS 617 HD2 HIS 617 6.264 10.052 -18.101 747 HE1 HIS 617 HE1 HIS 617 7.784 13.626 -19.808 748 H GLN 618 H GLN 618 12.274 9.836 -16.851 749 HA GLN 618 HA GLN 618 14.054 11.248 -16.954 750 HB2 GLN 618 1HB GLN 618 13.561 10.580 -19.823 751 HB3 GLN 618 2HB GLN 618 14.725 11.840 -19.438 752 HG2 GLN 618 1HG GLN 618 14.877 9.141 -18.153 753 HG3 GLN 618 2HG GLN 618 15.572 9.444 -19.745 754 HE21 GLN 618 2HE2 GLN 618 17.683 9.209 -19.183 755 HE22 GLN 618 1HE2 GLN 618 18.516 10.279 -18.114 756 H ALA 619 H ALA 619 12.522 12.814 -15.983 757 HA ALA 619 HA ALA 619 11.713 14.967 -17.800 758 HB1 ALA 619 3HB ALA 619 9.877 14.847 -16.538 759 HB2 ALA 619 1HB ALA 619 10.695 13.914 -15.285 760 HB3 ALA 619 2HB ALA 619 10.818 15.674 -15.297 761 H LYS 620 H LYS 620 12.817 15.037 -14.421 762 HA LYS 620 HA LYS 620 14.011 17.549 -14.573 763 HB2 LYS 620 1HB LYS 620 13.420 16.090 -12.512 764 HB3 LYS 620 2HB LYS 620 15.029 15.411 -12.722 765 HG2 LYS 620 1HG LYS 620 15.196 17.134 -11.107 766 HG3 LYS 620 2HG LYS 620 15.933 17.742 -12.591 767 HD2 LYS 620 1HD LYS 620 14.558 19.470 -11.621 768 HD3 LYS 620 2HD LYS 620 13.810 18.906 -13.118 769 HE2 LYS 620 1HE LYS 620 12.095 17.831 -12.008 770 HE3 LYS 620 2HE LYS 620 13.022 17.665 -10.518 771 HZ1 LYS 620 3HZ LYS 620 11.693 19.355 -9.886 772 HZ2 LYS 620 1HZ LYS 620 11.413 19.896 -11.465 773 HZ3 LYS 620 2HZ LYS 620 12.852 20.303 -10.674 774 H GLU 621 H GLU 621 15.192 14.437 -15.536 775 HA GLU 621 HA GLU 621 17.093 13.768 -16.591 776 HB2 GLU 621 1HB GLU 621 16.469 16.098 -17.764 777 HB3 GLU 621 2HB GLU 621 18.024 16.546 -17.076 778 HG2 GLU 621 1HG GLU 621 18.767 15.772 -19.056 779 HG3 GLU 621 2HG GLU 621 18.727 14.235 -18.195 780 H ALA 622 H ALA 622 17.138 14.245 -13.753 781 HA ALA 622 HA ALA 622 19.588 15.512 -13.021 782 HB1 ALA 622 3HB ALA 622 18.295 13.474 -11.273 783 HB2 ALA 622 1HB ALA 622 19.043 15.014 -10.848 784 HB3 ALA 622 2HB ALA 622 17.449 14.986 -11.602 785 H ALA 623 H ALA 623 21.205 14.568 -14.296 786 HA ALA 623 HA ALA 623 21.659 11.762 -14.404 787 HB1 ALA 623 3HB ALA 623 22.448 13.295 -16.146 788 HB2 ALA 623 1HB ALA 623 23.570 14.020 -14.994 789 HB3 ALA 623 2HB ALA 623 23.766 12.334 -15.475 Start of MODEL 11 1 H1 ALA 64 1H ALA 64 -0.285 -1.247 -0.181 2 HA ALA 64 HA ALA 64 0.644 0.152 -2.500 3 HB1 ALA 64 3HB ALA 64 2.852 -0.277 -0.885 4 HB2 ALA 64 1HB ALA 64 1.790 1.131 -0.863 5 HB3 ALA 64 2HB ALA 64 1.499 -0.211 0.244 6 H PHE 65 H PHE 65 1.931 -0.536 -4.112 7 HA PHE 65 HA PHE 65 2.850 -3.333 -4.003 8 HB2 PHE 65 1HB PHE 65 2.835 -3.104 -6.561 9 HB3 PHE 65 2HB PHE 65 1.277 -3.205 -5.749 10 HD1 PHE 65 HD2 PHE 65 -0.122 -1.197 -5.499 11 HD2 PHE 65 HD1 PHE 65 3.500 -1.147 -7.735 12 HE1 PHE 65 HE2 PHE 65 -0.816 0.906 -6.571 13 HE2 PHE 65 HE1 PHE 65 2.812 0.957 -8.809 14 HZ PHE 65 HZ PHE 65 0.651 1.986 -8.228 15 H SER 66 H SER 66 4.962 -3.526 -3.725 16 HA SER 66 HA SER 66 6.804 -1.418 -3.940 17 HB2 SER 66 1HB SER 66 8.535 -3.247 -3.778 18 HB3 SER 66 2HB SER 66 7.316 -3.271 -2.504 19 HG SER 66 HG SER 66 7.611 -5.351 -3.325 20 H ARG 67 H ARG 67 5.697 -3.792 -6.243 21 HA ARG 67 HA ARG 67 7.718 -3.730 -8.133 22 HB2 ARG 67 1HB ARG 67 5.406 -5.016 -8.023 23 HB3 ARG 67 2HB ARG 67 4.883 -3.700 -9.065 24 HG2 ARG 67 1HG ARG 67 6.265 -4.341 -10.796 25 HG3 ARG 67 2HG ARG 67 7.361 -5.223 -9.731 26 HD2 ARG 67 1HD ARG 67 6.084 -6.794 -11.040 27 HD3 ARG 67 2HD ARG 67 5.586 -6.899 -9.352 28 HE ARG 67 HE ARG 67 3.949 -5.113 -10.870 29 HH11 ARG 67 1HH1 ARG 67 4.497 -8.459 -10.078 30 HH12 ARG 67 2HH1 ARG 67 2.861 -8.936 -10.392 31 HH21 ARG 67 1HH2 ARG 67 1.793 -5.729 -11.286 32 HH22 ARG 67 2HH2 ARG 67 1.324 -7.382 -11.079 33 H GLN 68 H GLN 68 7.383 -2.719 -10.405 34 HA GLN 68 HA GLN 68 7.841 -0.004 -10.268 35 HB2 GLN 68 1HB GLN 68 8.334 -1.516 -12.212 36 HB3 GLN 68 2HB GLN 68 6.632 -1.423 -12.644 37 HG2 GLN 68 1HG GLN 68 6.796 0.926 -13.053 38 HG3 GLN 68 2HG GLN 68 8.442 0.967 -12.426 39 HE21 GLN 68 2HE2 GLN 68 8.148 2.025 -14.808 40 HE22 GLN 68 1HE2 GLN 68 8.738 0.990 -16.059 41 H LEU 69 H LEU 69 6.623 1.844 -10.617 42 HA LEU 69 HA LEU 69 3.701 1.481 -10.519 43 HB2 LEU 69 1HB LEU 69 3.710 3.680 -9.254 44 HB3 LEU 69 2HB LEU 69 4.270 2.251 -8.388 45 HG LEU 69 HG LEU 69 6.636 3.103 -9.136 46 HD11 LEU 69 1HD1 LEU 69 5.077 5.680 -9.090 47 HD12 LEU 69 2HD1 LEU 69 5.697 4.913 -10.551 48 HD13 LEU 69 3HD1 LEU 69 6.815 5.487 -9.314 49 HD21 LEU 69 3HD2 LEU 69 6.444 3.015 -6.880 50 HD22 LEU 69 1HD2 LEU 69 4.893 3.856 -6.867 51 HD23 LEU 69 2HD2 LEU 69 6.389 4.770 -7.061 52 H ASN 70 H ASN 70 2.532 3.559 -11.175 53 HA ASN 70 HA ASN 70 3.593 4.367 -13.753 54 HB2 ASN 70 1HB ASN 70 1.289 3.753 -13.775 55 HB3 ASN 70 2HB ASN 70 0.931 4.784 -12.393 56 HD21 ASN 70 2HD2 ASN 70 -0.426 6.263 -13.134 57 HD22 ASN 70 1HD2 ASN 70 -0.167 7.258 -14.523 58 H VAL 71 H VAL 71 4.275 6.374 -14.304 59 HA VAL 71 HA VAL 71 4.730 8.251 -12.117 60 HB VAL 71 HB VAL 71 6.652 7.747 -13.496 61 HG11 VAL 71 1HG1 VAL 71 4.799 7.737 -15.597 62 HG12 VAL 71 2HG1 VAL 71 5.909 9.067 -15.936 63 HG13 VAL 71 3HG1 VAL 71 6.534 7.435 -15.692 64 HG21 VAL 71 3HG2 VAL 71 6.048 10.157 -12.661 65 HG22 VAL 71 1HG2 VAL 71 7.440 9.896 -13.712 66 HG23 VAL 71 2HG2 VAL 71 5.926 10.500 -14.387 67 H ASN 72 H ASN 72 2.719 7.844 -14.881 68 HA ASN 72 HA ASN 72 2.104 10.580 -15.350 69 HB2 ASN 72 1HB ASN 72 1.054 7.956 -16.240 70 HB3 ASN 72 2HB ASN 72 -0.076 9.305 -16.310 71 HD21 ASN 72 2HD2 ASN 72 3.027 8.117 -17.416 72 HD22 ASN 72 1HD2 ASN 72 3.129 9.128 -18.813 73 H ALA 73 H ALA 73 1.334 8.509 -12.824 74 HA ALA 73 HA ALA 73 -1.285 9.083 -12.157 75 HB1 ALA 73 3HB ALA 73 0.862 8.924 -10.069 76 HB2 ALA 73 1HB ALA 73 -0.799 8.336 -10.000 77 HB3 ALA 73 2HB ALA 73 0.387 7.511 -11.012 78 H LYS 74 H LYS 74 -2.292 10.944 -11.836 79 HA LYS 74 HA LYS 74 -1.135 13.448 -11.754 80 HB2 LYS 74 1HB LYS 74 -3.487 13.181 -12.218 81 HB3 LYS 74 2HB LYS 74 -3.775 12.519 -10.615 82 HG2 LYS 74 1HG LYS 74 -3.041 14.729 -9.680 83 HG3 LYS 74 2HG LYS 74 -3.052 15.347 -11.333 84 HD2 LYS 74 1HD LYS 74 -5.163 15.932 -10.630 85 HD3 LYS 74 2HD LYS 74 -5.477 14.358 -11.364 86 HE2 LYS 74 1HE LYS 74 -5.069 13.424 -8.995 87 HE3 LYS 74 2HE LYS 74 -5.304 15.088 -8.461 88 HZ1 LYS 74 3HZ LYS 74 -7.269 13.254 -8.886 89 HZ2 LYS 74 1HZ LYS 74 -7.339 14.217 -10.276 90 HZ3 LYS 74 2HZ LYS 74 -7.490 14.926 -8.747 91 HA PRO 75 HA PRO 75 0.637 13.762 -7.725 92 HB2 PRO 75 1HB PRO 75 0.874 16.465 -7.620 93 HB3 PRO 75 2HB PRO 75 1.933 15.445 -8.601 94 HG2 PRO 75 1HG PRO 75 -0.462 17.038 -9.430 95 HG3 PRO 75 2HG PRO 75 1.105 16.867 -10.244 96 HD2 PRO 75 1HD PRO 75 -1.095 15.489 -11.014 97 HD3 PRO 75 2HD PRO 75 0.546 14.829 -11.164 98 H PHE 76 H PHE 76 -0.959 16.847 -7.706 99 HA PHE 76 HA PHE 76 -3.318 16.097 -6.339 100 HB2 PHE 76 1HB PHE 76 -2.800 16.779 -4.088 101 HB3 PHE 76 2HB PHE 76 -1.625 15.562 -4.577 102 HD1 PHE 76 HD1 PHE 76 0.572 16.567 -5.668 103 HD2 PHE 76 HD2 PHE 76 -2.031 18.659 -3.028 104 HE1 PHE 76 HE1 PHE 76 2.404 18.101 -5.083 105 HE2 PHE 76 HE2 PHE 76 -0.203 20.197 -2.440 106 HZ PHE 76 HZ PHE 76 2.018 19.920 -3.468 107 H VAL 77 H VAL 77 -3.974 18.238 -4.895 108 HA VAL 77 HA VAL 77 -3.696 20.464 -6.804 109 HB VAL 77 HB VAL 77 -5.814 21.321 -5.680 110 HG11 VAL 77 1HG1 VAL 77 -5.463 19.830 -7.876 111 HG12 VAL 77 2HG1 VAL 77 -6.507 18.746 -6.955 112 HG13 VAL 77 3HG1 VAL 77 -7.046 20.383 -7.331 113 HG21 VAL 77 3HG2 VAL 77 -5.332 19.242 -3.928 114 HG22 VAL 77 1HG2 VAL 77 -6.828 20.167 -4.060 115 HG23 VAL 77 2HG2 VAL 77 -6.655 18.641 -4.928 116 HA PRO 78 HA PRO 78 -1.419 21.939 -3.095 117 HB2 PRO 78 1HB PRO 78 0.356 23.418 -4.519 118 HB3 PRO 78 2HB PRO 78 0.568 21.689 -4.221 119 HG2 PRO 78 1HG PRO 78 -0.486 23.077 -6.655 120 HG3 PRO 78 2HG PRO 78 0.640 21.712 -6.545 121 HD2 PRO 78 1HD PRO 78 -1.987 21.391 -7.117 122 HD3 PRO 78 2HD PRO 78 -1.051 20.180 -6.216 123 H ASN 79 H ASN 79 -0.711 24.319 -2.658 124 HA ASN 79 HA ASN 79 -2.977 26.026 -3.415 125 HB2 ASN 79 1HB ASN 79 -1.098 26.079 -1.053 126 HB3 ASN 79 2HB ASN 79 -2.200 27.403 -1.419 127 HD21 ASN 79 2HD2 ASN 79 -1.894 24.164 -0.265 128 HD22 ASN 79 1HD2 ASN 79 -3.523 23.980 0.282 129 H VAL 80 H VAL 80 -0.899 25.696 -5.276 130 HA VAL 80 HA VAL 80 -0.034 28.463 -5.525 131 HB VAL 80 HB VAL 80 2.290 27.772 -6.134 132 HG11 VAL 80 1HG1 VAL 80 3.080 27.931 -3.959 133 HG12 VAL 80 2HG1 VAL 80 1.459 28.616 -3.831 134 HG13 VAL 80 3HG1 VAL 80 1.762 26.961 -3.302 135 HG21 VAL 80 3HG2 VAL 80 1.553 25.324 -6.423 136 HG22 VAL 80 1HG2 VAL 80 3.126 25.640 -5.692 137 HG23 VAL 80 2HG2 VAL 80 1.752 25.207 -4.675 138 H HIS 81 H HIS 81 0.400 29.097 -7.651 139 HA HIS 81 HA HIS 81 -0.943 27.566 -9.659 140 HB2 HIS 81 1HB HIS 81 0.699 30.097 -9.887 141 HB3 HIS 81 2HB HIS 81 -0.299 29.419 -11.171 142 HD1 HIS 81 HD1 HIS 81 -2.560 30.395 -11.317 143 HD2 HIS 81 HD2 HIS 81 -0.998 30.698 -7.479 144 HE1 HIS 81 HE1 HIS 81 -4.276 31.670 -9.992 145 H ALA 82 H ALA 82 2.432 28.646 -9.272 146 HA ALA 82 HA ALA 82 3.363 27.053 -11.460 147 HB1 ALA 82 3HB ALA 82 5.181 28.116 -9.341 148 HB2 ALA 82 1HB ALA 82 5.444 27.975 -11.079 149 HB3 ALA 82 2HB ALA 82 4.372 29.226 -10.447 150 H1 GLY 541 1H GLY 541 12.918 19.041 14.055 151 HA2 GLY 541 1HA GLY 541 15.081 17.439 13.477 152 HA3 GLY 541 2HA GLY 541 14.306 16.675 14.856 153 H GLN 542 H GLN 542 11.703 16.832 14.449 154 HA GLN 542 HA GLN 542 10.833 16.382 11.792 155 HB2 GLN 542 1HB GLN 542 12.171 14.207 12.857 156 HB3 GLN 542 2HB GLN 542 10.480 13.825 13.154 157 HG2 GLN 542 1HG GLN 542 10.179 14.483 10.654 158 HG3 GLN 542 2HG GLN 542 11.915 14.185 10.567 159 HE21 GLN 542 2HE2 GLN 542 9.353 12.793 9.600 160 HE22 GLN 542 1HE2 GLN 542 9.621 11.138 10.014 161 H GLU 543 H GLU 543 8.654 16.517 11.669 162 HA GLU 543 HA GLU 543 7.031 15.971 14.026 163 HB2 GLU 543 1HB GLU 543 7.177 18.675 12.691 164 HB3 GLU 543 2HB GLU 543 5.877 18.195 13.773 165 HG2 GLU 543 1HG GLU 543 7.680 17.740 15.497 166 HG3 GLU 543 2HG GLU 543 8.779 18.596 14.417 167 HA PRO 544 HA PRO 544 5.136 14.727 9.960 168 HB2 PRO 544 1HB PRO 544 4.556 12.190 10.731 169 HB3 PRO 544 2HB PRO 544 6.114 12.649 10.035 170 HG2 PRO 544 1HG PRO 544 5.365 12.256 12.907 171 HG3 PRO 544 2HG PRO 544 6.826 11.731 12.049 172 HD2 PRO 544 1HD PRO 544 6.776 13.928 13.630 173 HD3 PRO 544 2HD PRO 544 7.810 13.810 12.192 174 H LEU 545 H LEU 545 2.979 14.762 9.538 175 HA LEU 545 HA LEU 545 1.191 15.530 11.600 176 HB2 LEU 545 1HB LEU 545 0.303 14.529 8.922 177 HB3 LEU 545 2HB LEU 545 -0.421 15.777 9.933 178 HG LEU 545 HG LEU 545 2.126 16.735 9.277 179 HD11 LEU 545 1HD1 LEU 545 2.646 16.175 7.182 180 HD12 LEU 545 2HD1 LEU 545 0.973 16.297 6.640 181 HD13 LEU 545 3HD1 LEU 545 1.546 14.814 7.402 182 HD21 LEU 545 3HD2 LEU 545 -0.373 17.698 9.415 183 HD22 LEU 545 1HD2 LEU 545 -0.187 17.611 7.663 184 HD23 LEU 545 2HD2 LEU 545 0.952 18.554 8.624 185 H THR 546 H THR 546 -1.176 14.236 11.051 186 HA THR 546 HA THR 546 -0.740 11.382 11.437 187 HB THR 546 HB THR 546 -0.636 12.266 13.720 188 HG1 THR 546 HG1 THR 546 -1.648 10.242 13.418 189 HG21 THR 546 3HG2 THR 546 -1.843 14.279 13.671 190 HG22 THR 546 1HG2 THR 546 -2.839 13.200 14.646 191 HG23 THR 546 2HG2 THR 546 -3.264 13.513 12.963 192 H ALA 547 H ALA 547 -2.855 10.192 11.554 193 HA ALA 547 HA ALA 547 -4.466 10.832 9.361 194 HB1 ALA 547 3HB ALA 547 -4.277 8.564 10.164 195 HB2 ALA 547 1HB ALA 547 -5.045 9.005 11.689 196 HB3 ALA 547 2HB ALA 547 -5.970 9.057 10.188 197 H SER 548 H SER 548 -4.572 11.944 12.609 198 HA SER 548 HA SER 548 -7.278 12.545 12.924 199 HB2 SER 548 1HB SER 548 -4.970 14.201 13.964 200 HB3 SER 548 2HB SER 548 -6.594 14.093 14.643 201 HG SER 548 HG SER 548 -6.060 12.303 15.613 202 H MET 549 H MET 549 -4.667 14.470 11.489 203 HA MET 549 HA MET 549 -6.006 16.833 11.016 204 HB2 MET 549 1HB MET 549 -3.779 15.411 9.625 205 HB3 MET 549 2HB MET 549 -4.483 16.825 8.853 206 HG2 MET 549 1HG MET 549 -2.615 17.572 10.084 207 HG3 MET 549 2HG MET 549 -4.048 18.083 10.972 208 HE1 MET 549 3HE MET 549 -1.000 17.887 11.913 209 HE2 MET 549 1HE MET 549 -2.157 18.455 13.117 210 HE3 MET 549 2HE MET 549 -1.046 17.144 13.512 211 H LEU 550 H LEU 550 -5.773 14.039 8.813 212 HA LEU 550 HA LEU 550 -7.674 15.159 6.977 213 HB2 LEU 550 1HB LEU 550 -6.915 12.269 7.017 214 HB3 LEU 550 2HB LEU 550 -7.284 13.306 5.641 215 HG LEU 550 HG LEU 550 -4.742 13.245 7.258 216 HD11 LEU 550 1HD1 LEU 550 -4.642 13.024 4.351 217 HD12 LEU 550 2HD1 LEU 550 -5.516 11.707 5.132 218 HD13 LEU 550 3HD1 LEU 550 -3.850 12.054 5.594 219 HD21 LEU 550 3HD2 LEU 550 -5.863 15.308 5.453 220 HD22 LEU 550 1HD2 LEU 550 -4.154 14.915 5.268 221 HD23 LEU 550 2HD2 LEU 550 -4.767 15.472 6.825 222 H ALA 551 H ALA 551 -7.927 13.533 9.909 223 HA ALA 551 HA ALA 551 -10.188 11.912 9.514 224 HB1 ALA 551 3HB ALA 551 -9.592 13.345 12.084 225 HB2 ALA 551 1HB ALA 551 -10.340 11.765 11.849 226 HB3 ALA 551 2HB ALA 551 -8.620 11.985 11.522 227 H SER 552 H SER 552 -9.953 15.244 10.760 228 HA SER 552 HA SER 552 -12.843 15.547 10.444 229 HB2 SER 552 1HB SER 552 -11.712 16.280 12.560 230 HB3 SER 552 2HB SER 552 -10.866 17.512 11.624 231 HG SER 552 HG SER 552 -12.719 18.403 12.531 232 H ALA 553 H ALA 553 -11.159 15.361 8.109 233 HA ALA 553 HA ALA 553 -11.766 17.981 6.921 234 HB1 ALA 553 3HB ALA 553 -9.209 17.193 7.416 235 HB2 ALA 553 1HB ALA 553 -9.441 16.628 5.762 236 HB3 ALA 553 2HB ALA 553 -9.688 18.329 6.156 237 HA PRO 554 HA PRO 554 -13.718 15.804 3.649 238 HB2 PRO 554 1HB PRO 554 -13.068 17.304 1.481 239 HB3 PRO 554 2HB PRO 554 -14.213 17.844 2.715 240 HG2 PRO 554 1HG PRO 554 -11.321 18.540 2.380 241 HG3 PRO 554 2HG PRO 554 -12.686 19.597 2.783 242 HD2 PRO 554 1HD PRO 554 -10.962 18.668 4.653 243 HD3 PRO 554 2HD PRO 554 -12.676 18.975 5.003 244 HA PRO 555 HA PRO 555 -11.028 13.048 1.528 245 HB2 PRO 555 1HB PRO 555 -12.316 12.641 -0.827 246 HB3 PRO 555 2HB PRO 555 -12.896 11.989 0.711 247 HG2 PRO 555 1HG PRO 555 -13.793 14.431 -0.770 248 HG3 PRO 555 2HG PRO 555 -14.769 13.199 0.052 249 HD2 PRO 555 1HD PRO 555 -14.213 15.602 1.170 250 HD3 PRO 555 2HD PRO 555 -14.412 14.123 2.133 251 H GLN 556 H GLN 556 -11.564 16.173 0.332 252 HA GLN 556 HA GLN 556 -9.666 15.866 -1.872 253 HB2 GLN 556 1HB GLN 556 -11.941 17.244 -1.846 254 HB3 GLN 556 2HB GLN 556 -10.891 18.498 -1.200 255 HG2 GLN 556 1HG GLN 556 -10.660 18.987 -3.387 256 HG3 GLN 556 2HG GLN 556 -9.404 17.754 -3.280 257 HE21 GLN 556 2HE2 GLN 556 -10.927 18.583 -5.591 258 HE22 GLN 556 1HE2 GLN 556 -11.756 17.181 -6.165 259 H GLU 557 H GLU 557 -10.102 17.670 1.144 260 HA GLU 557 HA GLU 557 -7.705 19.145 1.001 261 HB2 GLU 557 1HB GLU 557 -9.530 18.357 3.251 262 HB3 GLU 557 2HB GLU 557 -8.020 19.195 3.579 263 HG2 GLU 557 1HG GLU 557 -8.715 21.068 2.234 264 HG3 GLU 557 2HG GLU 557 -10.182 20.218 1.753 265 H GLN 558 H GLN 558 -8.351 15.859 1.790 266 HA GLN 558 HA GLN 558 -6.253 15.210 3.482 267 HB2 GLN 558 1HB GLN 558 -7.349 13.507 1.238 268 HB3 GLN 558 2HB GLN 558 -6.464 12.929 2.644 269 HG2 GLN 558 1HG GLN 558 -8.511 14.305 3.801 270 HG3 GLN 558 2HG GLN 558 -9.279 13.650 2.356 271 HE21 GLN 558 2HE2 GLN 558 -9.675 12.994 5.182 272 HE22 GLN 558 1HE2 GLN 558 -9.386 11.296 5.318 273 H LYS 559 H LYS 559 -6.250 14.711 -0.052 274 HA LYS 559 HA LYS 559 -3.512 14.197 -0.271 275 HB2 LYS 559 1HB LYS 559 -3.799 14.673 -2.674 276 HB3 LYS 559 2HB LYS 559 -5.070 13.630 -2.048 277 HG2 LYS 559 1HG LYS 559 -6.582 15.547 -1.924 278 HG3 LYS 559 2HG LYS 559 -5.307 16.589 -2.559 279 HD2 LYS 559 1HD LYS 559 -6.853 15.940 -4.326 280 HD3 LYS 559 2HD LYS 559 -5.251 15.258 -4.617 281 HE2 LYS 559 1HE LYS 559 -5.969 13.109 -3.794 282 HE3 LYS 559 2HE LYS 559 -7.535 13.771 -3.325 283 HZ1 LYS 559 3HZ LYS 559 -7.487 14.404 -5.905 284 HZ2 LYS 559 1HZ LYS 559 -8.134 12.955 -5.318 285 HZ3 LYS 559 2HZ LYS 559 -6.564 12.987 -5.947 286 H GLN 560 H GLN 560 -5.298 17.214 -0.259 287 HA GLN 560 HA GLN 560 -3.258 18.900 -1.211 288 HB2 GLN 560 1HB GLN 560 -5.544 19.498 0.674 289 HB3 GLN 560 2HB GLN 560 -4.537 20.717 -0.096 290 HG2 GLN 560 1HG GLN 560 -5.396 20.268 -2.212 291 HG3 GLN 560 2HG GLN 560 -6.038 18.701 -1.720 292 HE21 GLN 560 2HE2 GLN 560 -8.134 19.008 -2.251 293 HE22 GLN 560 1HE2 GLN 560 -9.157 20.193 -1.520 294 H MET 561 H MET 561 -4.375 18.605 2.167 295 HA MET 561 HA MET 561 -2.181 19.904 3.306 296 HB2 MET 561 1HB MET 561 -3.884 17.757 4.582 297 HB3 MET 561 2HB MET 561 -2.915 18.959 5.424 298 HG2 MET 561 1HG MET 561 -4.330 20.731 4.638 299 HG3 MET 561 2HG MET 561 -5.235 19.609 3.625 300 HE1 MET 561 3HE MET 561 -6.517 17.147 6.269 301 HE2 MET 561 1HE MET 561 -7.535 17.967 5.084 302 HE3 MET 561 2HE MET 561 -5.927 17.405 4.626 303 H LEU 562 H LEU 562 -2.826 16.394 3.191 304 HA LEU 562 HA LEU 562 -0.468 15.489 4.282 305 HB2 LEU 562 1HB LEU 562 -2.375 14.057 3.731 306 HB3 LEU 562 2HB LEU 562 -2.021 14.248 2.015 307 HG LEU 562 HG LEU 562 0.134 13.135 3.718 308 HD11 LEU 562 1HD1 LEU 562 -2.527 11.921 3.457 309 HD12 LEU 562 2HD1 LEU 562 -1.253 11.629 4.640 310 HD13 LEU 562 3HD1 LEU 562 -1.174 10.863 3.054 311 HD21 LEU 562 3HD2 LEU 562 -0.418 11.643 1.379 312 HD22 LEU 562 1HD2 LEU 562 0.945 12.716 1.698 313 HD23 LEU 562 2HD2 LEU 562 -0.524 13.353 0.957 314 H GLY 563 H GLY 563 -1.110 15.757 0.776 315 HA2 GLY 563 1HA GLY 563 1.484 15.235 -0.088 316 HA3 GLY 563 2HA GLY 563 0.301 16.174 -0.986 317 H GLU 564 H GLU 564 0.012 18.312 0.845 318 HA GLU 564 HA GLU 564 2.060 20.012 0.004 319 HB2 GLU 564 1HB GLU 564 -0.109 20.178 2.041 320 HB3 GLU 564 2HB GLU 564 1.171 21.383 2.103 321 HG2 GLU 564 1HG GLU 564 0.529 22.374 0.168 322 HG3 GLU 564 2HG GLU 564 -0.085 20.875 -0.528 323 H ARG 565 H ARG 565 1.579 18.416 3.143 324 HA ARG 565 HA ARG 565 4.010 19.446 4.248 325 HB2 ARG 565 1HB ARG 565 1.932 17.483 5.119 326 HB3 ARG 565 2HB ARG 565 3.486 17.492 5.942 327 HG2 ARG 565 1HG ARG 565 2.438 18.976 7.270 328 HG3 ARG 565 2HG ARG 565 2.938 20.111 6.015 329 HD2 ARG 565 1HD ARG 565 0.785 19.984 4.962 330 HD3 ARG 565 2HD ARG 565 0.281 18.690 6.049 331 HE ARG 565 HE ARG 565 -0.164 20.258 7.668 332 HH11 ARG 565 1HH1 ARG 565 1.654 21.727 5.088 333 HH12 ARG 565 2HH1 ARG 565 1.436 23.341 5.678 334 HH21 ARG 565 1HH2 ARG 565 -0.458 22.378 8.455 335 HH22 ARG 565 2HH2 ARG 565 0.235 23.710 7.594 336 H LEU 566 H LEU 566 3.120 16.660 2.391 337 HA LEU 566 HA LEU 566 5.424 15.092 3.053 338 HB2 LEU 566 1HB LEU 566 3.034 14.801 1.473 339 HB3 LEU 566 2HB LEU 566 4.444 14.247 0.572 340 HG LEU 566 HG LEU 566 4.932 12.912 2.785 341 HD11 LEU 566 1HD1 LEU 566 3.300 13.540 4.269 342 HD12 LEU 566 2HD1 LEU 566 2.565 12.104 3.556 343 HD13 LEU 566 3HD1 LEU 566 2.069 13.708 3.017 344 HD21 LEU 566 3HD2 LEU 566 2.759 11.538 1.475 345 HD22 LEU 566 1HD2 LEU 566 4.486 11.181 1.465 346 HD23 LEU 566 2HD2 LEU 566 3.816 12.326 0.302 347 H PHE 567 H PHE 567 4.677 17.566 0.742 348 HA PHE 567 HA PHE 567 6.490 17.124 -1.277 349 HB2 PHE 567 1HB PHE 567 4.866 19.245 -0.465 350 HB3 PHE 567 2HB PHE 567 6.490 19.922 -0.504 351 HD1 PHE 567 HD2 PHE 567 7.851 18.991 -2.696 352 HD2 PHE 567 HD1 PHE 567 3.649 19.582 -2.365 353 HE1 PHE 567 HE2 PHE 567 7.695 19.224 -5.140 354 HE2 PHE 567 HE1 PHE 567 3.486 19.815 -4.809 355 HZ PHE 567 HZ PHE 567 5.510 19.637 -6.200 356 HA PRO 568 HA PRO 568 9.917 19.420 1.241 357 HB2 PRO 568 1HB PRO 568 9.420 19.896 3.867 358 HB3 PRO 568 2HB PRO 568 8.993 21.037 2.587 359 HG2 PRO 568 1HG PRO 568 7.263 19.051 4.008 360 HG3 PRO 568 2HG PRO 568 6.908 20.732 3.570 361 HD2 PRO 568 1HD PRO 568 5.996 18.627 2.131 362 HD3 PRO 568 2HD PRO 568 6.401 20.187 1.388 363 H LEU 569 H LEU 569 7.972 17.193 3.211 364 HA LEU 569 HA LEU 569 9.988 16.030 4.712 365 HB2 LEU 569 1HB LEU 569 7.386 15.687 4.665 366 HB3 LEU 569 2HB LEU 569 7.796 14.328 3.621 367 HG LEU 569 HG LEU 569 7.474 13.630 5.941 368 HD11 LEU 569 1HD1 LEU 569 10.407 13.396 5.414 369 HD12 LEU 569 2HD1 LEU 569 9.241 12.643 4.325 370 HD13 LEU 569 3HD1 LEU 569 9.278 12.188 6.029 371 HD21 LEU 569 3HD2 LEU 569 9.961 14.866 6.895 372 HD22 LEU 569 1HD2 LEU 569 8.426 14.609 7.724 373 HD23 LEU 569 2HD2 LEU 569 8.621 15.984 6.637 374 H ILE 570 H ILE 570 8.982 15.354 1.408 375 HA ILE 570 HA ILE 570 10.664 13.056 1.107 376 HB ILE 570 HB ILE 570 9.218 14.770 -0.910 377 HG12 ILE 570 1HG1 ILE 570 8.716 11.904 -0.100 378 HG13 ILE 570 2HG1 ILE 570 7.923 13.271 0.675 379 HG21 ILE 570 1HG2 ILE 570 11.132 13.907 -2.041 380 HG22 ILE 570 2HG2 ILE 570 10.896 12.308 -1.340 381 HG23 ILE 570 3HG2 ILE 570 9.745 12.930 -2.522 382 HD11 ILE 570 3HD1 ILE 570 6.465 13.493 -0.987 383 HD12 ILE 570 1HD1 ILE 570 7.712 13.329 -2.223 384 HD13 ILE 570 2HD1 ILE 570 6.995 11.890 -1.497 385 H GLN 571 H GLN 571 10.963 16.493 0.461 386 HA GLN 571 HA GLN 571 13.221 16.470 -1.176 387 HB2 GLN 571 1HB GLN 571 12.328 18.504 0.872 388 HB3 GLN 571 2HB GLN 571 13.622 18.779 -0.286 389 HG2 GLN 571 1HG GLN 571 12.152 18.748 -2.108 390 HG3 GLN 571 2HG GLN 571 10.858 18.019 -1.158 391 HE21 GLN 571 2HE2 GLN 571 9.649 19.830 -2.126 392 HE22 GLN 571 1HE2 GLN 571 9.662 21.350 -1.305 393 H ALA 572 H ALA 572 12.894 15.721 2.152 394 HA ALA 572 HA ALA 572 15.339 16.391 3.239 395 HB1 ALA 572 3HB ALA 572 13.299 15.250 4.321 396 HB2 ALA 572 1HB ALA 572 14.071 13.741 3.832 397 HB3 ALA 572 2HB ALA 572 14.907 14.846 4.924 398 H MET 573 H MET 573 14.563 13.856 0.967 399 HA MET 573 HA MET 573 17.408 13.088 0.930 400 HB2 MET 573 1HB MET 573 16.625 10.839 0.138 401 HB3 MET 573 2HB MET 573 16.193 11.221 1.799 402 HG2 MET 573 1HG MET 573 14.055 12.123 0.246 403 HG3 MET 573 2HG MET 573 14.505 10.556 -0.423 404 HE1 MET 573 3HE MET 573 11.524 11.296 2.050 405 HE2 MET 573 1HE MET 573 12.602 11.810 3.348 406 HE3 MET 573 2HE MET 573 12.738 12.540 1.748 407 H HIS 574 H HIS 574 14.469 13.617 -0.934 408 HA HIS 574 HA HIS 574 16.139 13.912 -3.342 409 HB2 HIS 574 1HB HIS 574 13.674 12.337 -2.921 410 HB3 HIS 574 2HB HIS 574 13.721 13.288 -4.402 411 HD1 HIS 574 HD1 HIS 574 15.781 12.764 -6.033 412 HD2 HIS 574 HD2 HIS 574 15.114 10.013 -2.993 413 HE1 HIS 574 HE1 HIS 574 17.049 10.699 -6.705 414 HA PRO 575 HA PRO 575 13.877 17.864 -2.441 415 HB2 PRO 575 1HB PRO 575 16.025 19.466 -2.882 416 HB3 PRO 575 2HB PRO 575 15.685 18.725 -1.314 417 HG2 PRO 575 1HG PRO 575 17.596 17.852 -3.445 418 HG3 PRO 575 2HG PRO 575 17.831 17.912 -1.689 419 HD2 PRO 575 1HD PRO 575 17.257 15.616 -3.004 420 HD3 PRO 575 2HD PRO 575 16.709 15.928 -1.345 421 H THR 576 H THR 576 15.443 16.397 -5.055 422 HA THR 576 HA THR 576 14.846 18.567 -6.919 423 HB THR 576 HB THR 576 15.836 16.829 -8.593 424 HG1 THR 576 HG1 THR 576 17.019 15.867 -6.194 425 HG21 THR 576 3HG2 THR 576 17.481 18.216 -6.477 426 HG22 THR 576 1HG2 THR 576 16.995 18.863 -8.043 427 HG23 THR 576 2HG2 THR 576 18.147 17.530 -7.958 428 H LEU 577 H LEU 577 14.218 15.059 -6.695 429 HA LEU 577 HA LEU 577 11.972 15.340 -8.526 430 HB2 LEU 577 1HB LEU 577 13.215 12.927 -7.217 431 HB3 LEU 577 2HB LEU 577 11.848 12.863 -8.328 432 HG LEU 577 HG LEU 577 13.720 12.269 -9.611 433 HD11 LEU 577 1HD1 LEU 577 12.199 14.322 -10.346 434 HD12 LEU 577 2HD1 LEU 577 13.537 13.733 -11.334 435 HD13 LEU 577 3HD1 LEU 577 13.757 15.149 -10.305 436 HD21 LEU 577 3HD2 LEU 577 15.817 12.888 -9.178 437 HD22 LEU 577 1HD2 LEU 577 15.177 13.678 -7.736 438 HD23 LEU 577 2HD2 LEU 577 15.405 14.603 -9.221 439 H ALA 578 H ALA 578 12.207 16.130 -5.499 440 HA ALA 578 HA ALA 578 10.495 14.672 -3.925 441 HB1 ALA 578 3HB ALA 578 10.089 17.562 -3.682 442 HB2 ALA 578 1HB ALA 578 10.650 16.387 -2.491 443 HB3 ALA 578 2HB ALA 578 11.780 17.060 -3.667 444 H GLY 579 H GLY 579 9.697 16.886 -6.531 445 HA2 GLY 579 1HA GLY 579 6.947 17.175 -6.000 446 HA3 GLY 579 2HA GLY 579 7.711 17.375 -7.570 447 H LYS 580 H LYS 580 8.250 15.300 -8.723 448 HA LYS 580 HA LYS 580 5.991 13.837 -9.271 449 HB2 LYS 580 1HB LYS 580 8.591 13.883 -10.205 450 HB3 LYS 580 2HB LYS 580 8.426 12.249 -9.576 451 HG2 LYS 580 1HG LYS 580 7.855 12.233 -11.893 452 HG3 LYS 580 2HG LYS 580 6.380 11.983 -10.955 453 HD2 LYS 580 1HD LYS 580 5.461 13.689 -12.045 454 HD3 LYS 580 2HD LYS 580 6.637 14.761 -11.280 455 HE2 LYS 580 1HE LYS 580 8.188 14.407 -13.112 456 HE3 LYS 580 2HE LYS 580 7.079 13.257 -13.858 457 HZ1 LYS 580 3HZ LYS 580 6.128 14.942 -14.902 458 HZ2 LYS 580 1HZ LYS 580 7.143 16.053 -14.129 459 HZ3 LYS 580 2HZ LYS 580 5.670 15.619 -13.421 460 H ILE 581 H ILE 581 8.546 13.095 -6.943 461 HA ILE 581 HA ILE 581 7.785 10.527 -6.215 462 HB ILE 581 HB ILE 581 8.983 12.703 -4.500 463 HG12 ILE 581 1HG1 ILE 581 10.411 10.303 -5.606 464 HG13 ILE 581 2HG1 ILE 581 10.173 11.733 -6.606 465 HG21 ILE 581 1HG2 ILE 581 8.674 9.755 -3.953 466 HG22 ILE 581 2HG2 ILE 581 9.704 10.842 -3.022 467 HG23 ILE 581 3HG2 ILE 581 7.958 11.088 -3.047 468 HD11 ILE 581 3HD1 ILE 581 11.707 11.511 -4.035 469 HD12 ILE 581 1HD1 ILE 581 12.319 11.910 -5.641 470 HD13 ILE 581 2HD1 ILE 581 11.286 13.053 -4.781 471 H THR 582 H THR 582 6.925 13.536 -4.497 472 HA THR 582 HA THR 582 5.079 12.391 -2.746 473 HB THR 582 HB THR 582 6.097 14.872 -2.983 474 HG1 THR 582 HG1 THR 582 4.874 15.286 -1.209 475 HG21 THR 582 3HG2 THR 582 3.213 15.214 -3.794 476 HG22 THR 582 1HG2 THR 582 4.559 15.316 -4.928 477 HG23 THR 582 2HG2 THR 582 4.436 16.470 -3.600 478 H GLY 583 H GLY 583 4.742 13.418 -6.069 479 HA2 GLY 583 1HA GLY 583 1.932 13.570 -6.195 480 HA3 GLY 583 2HA GLY 583 3.001 13.264 -7.556 481 H MET 584 H MET 584 4.027 10.910 -7.327 482 HA MET 584 HA MET 584 1.914 9.113 -7.779 483 HB2 MET 584 1HB MET 584 4.787 8.428 -7.139 484 HB3 MET 584 2HB MET 584 3.623 7.402 -7.967 485 HG2 MET 584 1HG MET 584 3.657 8.725 -9.896 486 HG3 MET 584 2HG MET 584 4.425 10.073 -9.060 487 HE1 MET 584 3HE MET 584 7.139 10.300 -8.805 488 HE2 MET 584 1HE MET 584 6.656 9.196 -7.516 489 HE3 MET 584 2HE MET 584 8.051 8.816 -8.526 490 H LEU 585 H LEU 585 4.050 9.572 -4.990 491 HA LEU 585 HA LEU 585 3.133 7.401 -3.466 492 HB2 LEU 585 1HB LEU 585 4.580 9.929 -2.912 493 HB3 LEU 585 2HB LEU 585 3.854 9.095 -1.540 494 HG LEU 585 HG LEU 585 5.204 7.153 -1.924 495 HD11 LEU 585 1HD1 LEU 585 5.521 6.735 -4.121 496 HD12 LEU 585 2HD1 LEU 585 7.039 7.582 -3.825 497 HD13 LEU 585 3HD1 LEU 585 5.674 8.441 -4.540 498 HD21 LEU 585 3HD2 LEU 585 6.224 9.007 -0.677 499 HD22 LEU 585 1HD2 LEU 585 6.905 9.631 -2.179 500 HD23 LEU 585 2HD2 LEU 585 7.425 8.063 -1.560 501 H LEU 586 H LEU 586 1.843 10.603 -3.973 502 HA LEU 586 HA LEU 586 -0.058 10.417 -1.812 503 HB2 LEU 586 1HB LEU 586 0.804 12.582 -2.433 504 HB3 LEU 586 2HB LEU 586 0.230 12.373 -4.087 505 HG LEU 586 HG LEU 586 -1.764 12.327 -1.874 506 HD11 LEU 586 1HD1 LEU 586 -0.977 14.296 -1.120 507 HD12 LEU 586 2HD1 LEU 586 -1.804 14.937 -2.539 508 HD13 LEU 586 3HD1 LEU 586 -0.069 14.624 -2.596 509 HD21 LEU 586 3HD2 LEU 586 -3.085 12.245 -3.658 510 HD22 LEU 586 1HD2 LEU 586 -1.722 12.514 -4.745 511 HD23 LEU 586 2HD2 LEU 586 -2.577 13.889 -4.047 512 H GLU 587 H GLU 587 0.101 9.434 -5.087 513 HA GLU 587 HA GLU 587 -2.727 9.424 -5.582 514 HB2 GLU 587 1HB GLU 587 -0.642 9.412 -7.240 515 HB3 GLU 587 2HB GLU 587 -0.887 7.674 -7.137 516 HG2 GLU 587 1HG GLU 587 -3.359 9.131 -7.588 517 HG3 GLU 587 2HG GLU 587 -2.162 9.399 -8.853 518 H ILE 588 H ILE 588 -0.329 6.816 -5.155 519 HA ILE 588 HA ILE 588 -1.770 4.580 -5.172 520 HB ILE 588 HB ILE 588 -0.446 4.038 -2.885 521 HG12 ILE 588 1HG1 ILE 588 1.328 6.102 -4.155 522 HG13 ILE 588 2HG1 ILE 588 0.178 6.568 -2.907 523 HG21 ILE 588 1HG2 ILE 588 0.992 2.900 -4.222 524 HG22 ILE 588 2HG2 ILE 588 -0.210 3.325 -5.440 525 HG23 ILE 588 3HG2 ILE 588 1.267 4.277 -5.288 526 HD11 ILE 588 3HD1 ILE 588 2.457 6.132 -2.061 527 HD12 ILE 588 1HD1 ILE 588 1.224 5.110 -1.322 528 HD13 ILE 588 2HD1 ILE 588 2.286 4.452 -2.567 529 H ASP 589 H ASP 589 -1.464 6.435 -2.137 530 HA ASP 589 HA ASP 589 -4.149 6.563 -1.493 531 HB2 ASP 589 1HB ASP 589 -3.049 3.914 -1.120 532 HB3 ASP 589 2HB ASP 589 -3.591 4.585 0.416 533 H ASN 590 H ASN 590 -4.015 8.309 -0.256 534 HA ASN 590 HA ASN 590 -1.819 9.205 1.152 535 HB2 ASN 590 1HB ASN 590 -4.763 9.739 1.469 536 HB3 ASN 590 2HB ASN 590 -3.583 10.507 2.526 537 HD21 ASN 590 2HD2 ASN 590 -5.440 11.442 0.315 538 HD22 ASN 590 1HD2 ASN 590 -4.425 12.408 -0.696 539 H SER 591 H SER 591 -4.596 7.369 2.404 540 HA SER 591 HA SER 591 -3.928 7.260 5.073 541 HB2 SER 591 1HB SER 591 -5.593 5.697 3.257 542 HB3 SER 591 2HB SER 591 -4.930 4.722 4.568 543 HG SER 591 HG SER 591 -6.255 5.670 5.883 544 H GLU 592 H GLU 592 -2.751 5.221 2.433 545 HA GLU 592 HA GLU 592 -1.280 3.410 4.000 546 HB2 GLU 592 1HB GLU 592 -1.885 3.167 1.558 547 HB3 GLU 592 2HB GLU 592 -0.584 4.293 1.199 548 HG2 GLU 592 1HG GLU 592 1.001 2.746 1.476 549 HG3 GLU 592 2HG GLU 592 0.218 2.055 2.897 550 H LEU 593 H LEU 593 -0.506 6.584 2.722 551 HA LEU 593 HA LEU 593 2.280 6.480 3.296 552 HB2 LEU 593 1HB LEU 593 0.793 9.058 3.235 553 HB3 LEU 593 2HB LEU 593 2.376 8.658 2.573 554 HG LEU 593 HG LEU 593 -0.310 7.944 1.402 555 HD11 LEU 593 1HD1 LEU 593 1.047 10.294 1.227 556 HD12 LEU 593 2HD1 LEU 593 -0.065 9.678 0.006 557 HD13 LEU 593 3HD1 LEU 593 1.670 9.420 -0.172 558 HD21 LEU 593 3HD2 LEU 593 0.808 6.800 -0.333 559 HD22 LEU 593 1HD2 LEU 593 1.494 6.182 1.170 560 HD23 LEU 593 2HD2 LEU 593 2.390 7.360 0.211 561 H LEU 594 H LEU 594 -0.554 7.626 5.054 562 HA LEU 594 HA LEU 594 0.770 8.907 7.166 563 HB2 LEU 594 1HB LEU 594 -1.920 7.639 6.859 564 HB3 LEU 594 2HB LEU 594 -1.394 8.221 8.437 565 HG LEU 594 HG LEU 594 -1.596 9.932 5.960 566 HD11 LEU 594 1HD1 LEU 594 -3.806 9.664 6.349 567 HD12 LEU 594 2HD1 LEU 594 -3.497 10.882 7.586 568 HD13 LEU 594 3HD1 LEU 594 -3.567 9.176 8.027 569 HD21 LEU 594 3HD2 LEU 594 -1.631 11.168 8.609 570 HD22 LEU 594 1HD2 LEU 594 -0.741 11.620 7.155 571 HD23 LEU 594 2HD2 LEU 594 -0.114 10.358 8.216 572 H HIS 595 H HIS 595 0.510 5.597 6.384 573 HA HIS 595 HA HIS 595 1.333 4.816 9.099 574 HB2 HIS 595 1HB HIS 595 -0.691 3.759 7.671 575 HB3 HIS 595 2HB HIS 595 0.624 2.729 7.115 576 HD1 HIS 595 HD1 HIS 595 2.187 2.198 9.613 577 HD2 HIS 595 HD2 HIS 595 -1.966 2.312 9.561 578 HE1 HIS 595 HE1 HIS 595 1.453 0.868 11.617 579 H MET 596 H MET 596 2.305 4.979 5.788 580 HA MET 596 HA MET 596 4.493 3.134 6.022 581 HB2 MET 596 1HB MET 596 3.424 4.949 3.933 582 HB3 MET 596 2HB MET 596 5.132 4.547 3.828 583 HG2 MET 596 1HG MET 596 4.411 2.117 4.005 584 HG3 MET 596 2HG MET 596 2.774 2.700 3.711 585 HE1 MET 596 3HE MET 596 4.170 5.260 1.468 586 HE2 MET 596 1HE MET 596 3.167 4.455 0.260 587 HE3 MET 596 2HE MET 596 2.563 4.675 1.902 588 H LEU 597 H LEU 597 4.121 6.653 6.075 589 HA LEU 597 HA LEU 597 6.850 7.307 6.188 590 HB2 LEU 597 1HB LEU 597 6.178 9.457 6.533 591 HB3 LEU 597 2HB LEU 597 4.700 8.772 5.862 592 HG LEU 597 HG LEU 597 4.032 10.139 7.661 593 HD11 LEU 597 1HD1 LEU 597 3.922 7.788 9.337 594 HD12 LEU 597 2HD1 LEU 597 3.552 7.404 7.656 595 HD13 LEU 597 3HD1 LEU 597 2.623 8.642 8.503 596 HD21 LEU 597 3HD2 LEU 597 5.218 10.541 9.519 597 HD22 LEU 597 1HD2 LEU 597 6.540 9.749 8.661 598 HD23 LEU 597 2HD2 LEU 597 5.550 8.831 9.796 599 H GLU 598 H GLU 598 4.846 5.813 8.474 600 HA GLU 598 HA GLU 598 6.040 6.774 10.865 601 HB2 GLU 598 1HB GLU 598 4.530 4.219 10.296 602 HB3 GLU 598 2HB GLU 598 4.997 4.758 11.903 603 HG2 GLU 598 1HG GLU 598 3.678 6.857 11.453 604 HG3 GLU 598 2HG GLU 598 3.054 6.053 10.014 605 H SER 599 H SER 599 6.930 4.380 8.530 606 HA SER 599 HA SER 599 9.216 3.612 10.224 607 HB2 SER 599 1HB SER 599 7.260 1.899 9.364 608 HB3 SER 599 2HB SER 599 8.474 1.718 8.098 609 HG SER 599 HG SER 599 9.147 0.314 9.588 610 HA PRO 600 HA PRO 600 11.839 5.130 7.040 611 HB2 PRO 600 1HB PRO 600 14.041 3.605 7.487 612 HB3 PRO 600 2HB PRO 600 13.556 4.928 8.554 613 HG2 PRO 600 1HG PRO 600 13.112 1.984 8.864 614 HG3 PRO 600 2HG PRO 600 13.609 3.175 10.080 615 HD2 PRO 600 1HD PRO 600 11.063 2.276 9.878 616 HD3 PRO 600 2HD PRO 600 11.454 3.923 10.412 617 H GLU 601 H GLU 601 11.777 1.582 7.370 618 HA GLU 601 HA GLU 601 12.756 0.937 4.845 619 HB2 GLU 601 1HB GLU 601 10.939 -0.490 6.763 620 HB3 GLU 601 2HB GLU 601 11.305 -1.189 5.192 621 HG2 GLU 601 1HG GLU 601 13.280 -0.486 7.349 622 HG3 GLU 601 2HG GLU 601 12.775 -2.103 6.862 623 H SER 602 H SER 602 9.680 2.172 5.793 624 HA SER 602 HA SER 602 8.402 1.414 3.290 625 HB2 SER 602 1HB SER 602 7.478 2.669 5.846 626 HB3 SER 602 2HB SER 602 6.514 2.891 4.386 627 HG SER 602 HG SER 602 7.196 0.479 5.695 628 H LEU 603 H LEU 603 9.109 4.434 5.048 629 HA LEU 603 HA LEU 603 8.342 6.218 3.060 630 HB2 LEU 603 1HB LEU 603 8.840 6.896 5.342 631 HB3 LEU 603 2HB LEU 603 10.540 6.497 5.106 632 HG LEU 603 HG LEU 603 9.793 8.972 5.027 633 HD11 LEU 603 1HD1 LEU 603 11.748 9.406 4.001 634 HD12 LEU 603 2HD1 LEU 603 11.370 8.389 2.611 635 HD13 LEU 603 3HD1 LEU 603 11.957 7.658 4.105 636 HD21 LEU 603 3HD2 LEU 603 7.929 8.587 3.454 637 HD22 LEU 603 1HD2 LEU 603 9.098 8.129 2.215 638 HD23 LEU 603 2HD2 LEU 603 9.092 9.772 2.858 639 H ARG 604 H ARG 604 11.688 5.219 3.807 640 HA ARG 604 HA ARG 604 12.929 6.379 1.628 641 HB2 ARG 604 1HB ARG 604 13.604 3.856 3.142 642 HB3 ARG 604 2HB ARG 604 14.659 4.548 1.917 643 HG2 ARG 604 1HG ARG 604 15.164 6.399 3.209 644 HG3 ARG 604 2HG ARG 604 13.725 6.216 4.213 645 HD2 ARG 604 1HD ARG 604 14.717 4.108 5.112 646 HD3 ARG 604 2HD ARG 604 16.193 4.487 4.225 647 HE ARG 604 HE ARG 604 15.413 6.655 5.882 648 HH11 ARG 604 1HH1 ARG 604 16.886 3.502 5.965 649 HH12 ARG 604 2HH1 ARG 604 17.807 3.826 7.396 650 HH21 ARG 604 1HH2 ARG 604 16.621 7.094 7.767 651 HH22 ARG 604 2HH2 ARG 604 17.655 5.869 8.420 652 H SER 605 H SER 605 11.525 3.127 1.881 653 HA SER 605 HA SER 605 12.231 2.113 -0.586 654 HB2 SER 605 1HB SER 605 11.187 0.573 0.818 655 HB3 SER 605 2HB SER 605 9.859 1.670 1.199 656 HG SER 605 HG SER 605 8.846 1.087 -0.581 657 H LYS 606 H LYS 606 9.286 3.944 0.223 658 HA LYS 606 HA LYS 606 8.175 4.006 -2.334 659 HB2 LYS 606 1HB LYS 606 7.973 5.974 -0.053 660 HB3 LYS 606 2HB LYS 606 7.003 6.087 -1.516 661 HG2 LYS 606 1HG LYS 606 6.998 3.809 0.453 662 HG3 LYS 606 2HG LYS 606 5.744 5.037 0.261 663 HD2 LYS 606 1HD LYS 606 6.578 2.987 -1.791 664 HD3 LYS 606 2HD LYS 606 5.085 2.981 -0.850 665 HE2 LYS 606 1HE LYS 606 4.431 5.101 -1.902 666 HE3 LYS 606 2HE LYS 606 5.915 5.080 -2.853 667 HZ1 LYS 606 3HZ LYS 606 3.799 3.000 -2.971 668 HZ2 LYS 606 1HZ LYS 606 5.187 3.074 -3.935 669 HZ3 LYS 606 2HZ LYS 606 3.986 4.254 -4.091 670 H VAL 607 H VAL 607 10.109 6.542 -0.733 671 HA VAL 607 HA VAL 607 10.302 8.331 -2.814 672 HB VAL 607 HB VAL 607 12.451 7.647 -0.802 673 HG11 VAL 607 1HG1 VAL 607 12.543 10.363 -1.570 674 HG12 VAL 607 2HG1 VAL 607 13.755 9.110 -1.845 675 HG13 VAL 607 3HG1 VAL 607 12.500 9.404 -3.049 676 HG21 VAL 607 3HG2 VAL 607 10.662 8.320 0.490 677 HG22 VAL 607 1HG2 VAL 607 11.477 9.855 0.190 678 HG23 VAL 607 2HG2 VAL 607 10.046 9.419 -0.744 679 H ASP 608 H ASP 608 12.557 5.668 -2.093 680 HA ASP 608 HA ASP 608 14.274 6.040 -4.256 681 HB2 ASP 608 1HB ASP 608 14.560 4.486 -2.247 682 HB3 ASP 608 2HB ASP 608 13.566 3.333 -3.133 683 H GLU 609 H GLU 609 11.530 3.774 -4.001 684 HA GLU 609 HA GLU 609 11.601 2.747 -6.564 685 HB2 GLU 609 1HB GLU 609 10.112 2.029 -4.645 686 HB3 GLU 609 2HB GLU 609 9.053 3.367 -5.071 687 HG2 GLU 609 1HG GLU 609 8.210 1.333 -6.027 688 HG3 GLU 609 2HG GLU 609 8.768 2.402 -7.313 689 H ALA 610 H ALA 610 9.711 5.547 -5.428 690 HA ALA 610 HA ALA 610 8.522 6.284 -7.802 691 HB1 ALA 610 3HB ALA 610 9.264 8.680 -6.510 692 HB2 ALA 610 1HB ALA 610 7.717 7.836 -6.439 693 HB3 ALA 610 2HB ALA 610 8.972 7.480 -5.252 694 H VAL 611 H VAL 611 11.552 7.675 -6.520 695 HA VAL 611 HA VAL 611 12.268 9.205 -8.691 696 HB VAL 611 HB VAL 611 14.198 7.643 -6.971 697 HG11 VAL 611 1HG1 VAL 611 14.722 9.166 -9.188 698 HG12 VAL 611 2HG1 VAL 611 14.938 10.319 -7.870 699 HG13 VAL 611 3HG1 VAL 611 15.864 8.818 -7.891 700 HG21 VAL 611 3HG2 VAL 611 13.926 10.357 -6.160 701 HG22 VAL 611 1HG2 VAL 611 12.321 9.627 -6.224 702 HG23 VAL 611 2HG2 VAL 611 13.587 8.892 -5.240 703 H ALA 612 H ALA 612 12.806 5.753 -8.178 704 HA ALA 612 HA ALA 612 14.471 5.284 -10.390 705 HB1 ALA 612 3HB ALA 612 14.535 3.391 -9.206 706 HB2 ALA 612 1HB ALA 612 12.947 3.678 -8.494 707 HB3 ALA 612 2HB ALA 612 13.078 2.939 -10.090 708 H VAL 613 H VAL 613 10.946 5.222 -10.059 709 HA VAL 613 HA VAL 613 10.371 4.271 -12.648 710 HB VAL 613 HB VAL 613 8.707 5.988 -10.802 711 HG11 VAL 613 1HG1 VAL 613 7.917 6.270 -13.067 712 HG12 VAL 613 2HG1 VAL 613 7.917 4.523 -13.317 713 HG13 VAL 613 3HG1 VAL 613 6.789 5.251 -12.173 714 HG21 VAL 613 3HG2 VAL 613 7.548 3.538 -10.857 715 HG22 VAL 613 1HG2 VAL 613 9.251 3.109 -11.022 716 HG23 VAL 613 2HG2 VAL 613 8.711 4.061 -9.639 717 H LEU 614 H LEU 614 10.725 7.547 -11.354 718 HA LEU 614 HA LEU 614 9.886 9.043 -13.509 719 HB2 LEU 614 1HB LEU 614 12.327 9.744 -11.905 720 HB3 LEU 614 2HB LEU 614 11.162 10.835 -12.651 721 HG LEU 614 HG LEU 614 10.891 9.229 -10.132 722 HD11 LEU 614 1HD1 LEU 614 10.449 11.313 -9.120 723 HD12 LEU 614 2HD1 LEU 614 10.227 12.110 -10.677 724 HD13 LEU 614 3HD1 LEU 614 11.833 11.574 -10.182 725 HD21 LEU 614 3HD2 LEU 614 8.786 9.992 -12.043 726 HD22 LEU 614 1HD2 LEU 614 8.480 10.420 -10.360 727 HD23 LEU 614 2HD2 LEU 614 8.796 8.741 -10.799 728 H GLN 615 H GLN 615 12.856 7.248 -13.107 729 HA GLN 615 HA GLN 615 14.462 8.366 -15.058 730 HB2 GLN 615 1HB GLN 615 15.018 6.485 -13.434 731 HB3 GLN 615 2HB GLN 615 14.258 5.395 -14.586 732 HG2 GLN 615 1HG GLN 615 15.872 6.277 -16.307 733 HG3 GLN 615 2HG GLN 615 16.715 7.076 -14.980 734 HE21 GLN 615 2HE2 GLN 615 16.206 4.163 -16.668 735 HE22 GLN 615 1HE2 GLN 615 17.231 3.155 -15.711 736 H ALA 616 H ALA 616 11.648 6.348 -15.406 737 HA ALA 616 HA ALA 616 12.066 5.567 -18.101 738 HB1 ALA 616 3HB ALA 616 10.536 4.278 -16.864 739 HB2 ALA 616 1HB ALA 616 9.617 5.699 -16.366 740 HB3 ALA 616 2HB ALA 616 9.561 5.155 -18.043 741 H HIS 617 H HIS 617 10.572 8.362 -16.585 742 HA HIS 617 HA HIS 617 9.808 9.419 -19.209 743 HB2 HIS 617 1HB HIS 617 8.783 9.707 -16.505 744 HB3 HIS 617 2HB HIS 617 9.043 11.271 -17.271 745 HD1 HIS 617 HD1 HIS 617 7.567 7.980 -18.514 746 HD2 HIS 617 HD2 HIS 617 6.728 12.048 -18.404 747 HE1 HIS 617 HE1 HIS 617 5.371 8.246 -19.712 748 H GLN 618 H GLN 618 11.002 11.029 -16.272 749 HA GLN 618 HA GLN 618 13.328 12.031 -17.682 750 HB2 GLN 618 1HB GLN 618 11.127 13.854 -16.709 751 HB3 GLN 618 2HB GLN 618 12.750 14.410 -17.097 752 HG2 GLN 618 1HG GLN 618 10.850 13.072 -19.010 753 HG3 GLN 618 2HG GLN 618 11.185 14.801 -18.926 754 HE21 GLN 618 2HE2 GLN 618 11.526 13.256 -21.229 755 HE22 GLN 618 1HE2 GLN 618 13.209 13.214 -21.617 756 H ALA 619 H ALA 619 15.006 12.252 -16.337 757 HA ALA 619 HA ALA 619 14.450 12.387 -13.444 758 HB1 ALA 619 3HB ALA 619 15.230 10.200 -13.797 759 HB2 ALA 619 1HB ALA 619 16.478 10.736 -14.922 760 HB3 ALA 619 2HB ALA 619 16.629 11.093 -13.201 761 H LYS 620 H LYS 620 14.634 14.763 -14.347 762 HA LYS 620 HA LYS 620 15.772 16.735 -14.385 763 HB2 LYS 620 1HB LYS 620 17.364 15.107 -12.420 764 HB3 LYS 620 2HB LYS 620 17.828 16.757 -12.814 765 HG2 LYS 620 1HG LYS 620 15.140 15.937 -11.732 766 HG3 LYS 620 2HG LYS 620 16.465 16.597 -10.771 767 HD2 LYS 620 1HD LYS 620 16.407 18.595 -12.340 768 HD3 LYS 620 2HD LYS 620 14.875 17.953 -12.937 769 HE2 LYS 620 1HE LYS 620 14.161 17.919 -10.472 770 HE3 LYS 620 2HE LYS 620 15.551 18.967 -10.193 771 HZ1 LYS 620 3HZ LYS 620 13.269 19.526 -12.010 772 HZ2 LYS 620 1HZ LYS 620 14.628 20.518 -11.828 773 HZ3 LYS 620 2HZ LYS 620 13.576 20.278 -10.526 774 H GLU 621 H GLU 621 16.427 14.721 -16.414 775 HA GLU 621 HA GLU 621 19.243 15.345 -16.963 776 HB2 GLU 621 1HB GLU 621 17.382 13.240 -18.057 777 HB3 GLU 621 2HB GLU 621 18.949 13.584 -18.776 778 HG2 GLU 621 1HG GLU 621 18.594 12.816 -15.894 779 HG3 GLU 621 2HG GLU 621 18.877 11.648 -17.184 780 H ALA 622 H ALA 622 17.234 17.352 -17.274 781 HA ALA 622 HA ALA 622 16.992 17.602 -20.190 782 HB1 ALA 622 3HB ALA 622 15.254 19.160 -19.839 783 HB2 ALA 622 1HB ALA 622 14.966 17.850 -18.694 784 HB3 ALA 622 2HB ALA 622 15.678 19.367 -18.140 785 H ALA 623 H ALA 623 19.084 18.257 -20.697 786 HA ALA 623 HA ALA 623 20.568 20.225 -19.380 787 HB1 ALA 623 3HB ALA 623 20.880 20.023 -22.314 788 HB2 ALA 623 1HB ALA 623 22.092 19.963 -21.033 789 HB3 ALA 623 2HB ALA 623 21.109 18.541 -21.385 Start of MODEL 12 1 H1 ALA 64 1H ALA 64 0.011 -2.358 -0.911 2 HA ALA 64 HA ALA 64 0.686 0.102 -2.309 3 HB1 ALA 64 3HB ALA 64 1.231 -0.001 0.355 4 HB2 ALA 64 1HB ALA 64 2.735 -0.607 -0.339 5 HB3 ALA 64 2HB ALA 64 2.116 0.974 -0.818 6 H PHE 65 H PHE 65 2.297 -0.146 -3.808 7 HA PHE 65 HA PHE 65 3.633 -2.764 -3.923 8 HB2 PHE 65 1HB PHE 65 3.390 -2.599 -6.447 9 HB3 PHE 65 2HB PHE 65 1.914 -2.944 -5.552 10 HD1 PHE 65 HD1 PHE 65 0.232 -1.159 -5.215 11 HD2 PHE 65 HD2 PHE 65 3.625 -0.624 -7.729 12 HE1 PHE 65 HE1 PHE 65 -0.865 0.769 -6.279 13 HE2 PHE 65 HE2 PHE 65 2.534 1.306 -8.796 14 HZ PHE 65 HZ PHE 65 0.287 2.005 -8.071 15 H SER 66 H SER 66 5.767 -2.678 -4.244 16 HA SER 66 HA SER 66 6.940 -0.069 -4.933 17 HB2 SER 66 1HB SER 66 7.802 -2.291 -3.134 18 HB3 SER 66 2HB SER 66 9.050 -1.326 -3.923 19 HG SER 66 HG SER 66 7.655 0.514 -3.069 20 H ARG 67 H ARG 67 6.436 -3.206 -6.079 21 HA ARG 67 HA ARG 67 8.711 -3.848 -7.496 22 HB2 ARG 67 1HB ARG 67 7.147 -4.976 -9.120 23 HB3 ARG 67 2HB ARG 67 6.915 -5.408 -7.431 24 HG2 ARG 67 1HG ARG 67 5.055 -3.747 -7.339 25 HG3 ARG 67 2HG ARG 67 5.232 -3.543 -9.083 26 HD2 ARG 67 1HD ARG 67 4.647 -5.814 -9.488 27 HD3 ARG 67 2HD ARG 67 4.747 -6.209 -7.773 28 HE ARG 67 HE ARG 67 2.539 -4.967 -9.148 29 HH11 ARG 67 1HH1 ARG 67 4.096 -5.500 -6.080 30 HH12 ARG 67 2HH1 ARG 67 2.657 -5.227 -5.154 31 HH21 ARG 67 1HH2 ARG 67 0.638 -4.606 -7.940 32 HH22 ARG 67 2HH2 ARG 67 0.690 -4.720 -6.214 33 H GLN 68 H GLN 68 6.019 -1.772 -8.536 34 HA GLN 68 HA GLN 68 7.615 0.017 -9.967 35 HB2 GLN 68 1HB GLN 68 8.091 -1.667 -11.567 36 HB3 GLN 68 2HB GLN 68 6.420 -2.215 -11.600 37 HG2 GLN 68 1HG GLN 68 5.717 -0.330 -12.818 38 HG3 GLN 68 2HG GLN 68 7.227 0.526 -12.512 39 HE21 GLN 68 2HE2 GLN 68 5.524 -1.180 -14.752 40 HE22 GLN 68 1HE2 GLN 68 6.817 -1.662 -15.790 41 H LEU 69 H LEU 69 6.459 1.795 -10.572 42 HA LEU 69 HA LEU 69 3.525 1.589 -10.500 43 HB2 LEU 69 1HB LEU 69 3.536 3.855 -9.408 44 HB3 LEU 69 2HB LEU 69 4.070 2.509 -8.402 45 HG LEU 69 HG LEU 69 6.455 3.272 -9.115 46 HD11 LEU 69 1HD1 LEU 69 5.832 4.875 -10.792 47 HD12 LEU 69 2HD1 LEU 69 6.575 5.725 -9.438 48 HD13 LEU 69 3HD1 LEU 69 4.823 5.750 -9.640 49 HD21 LEU 69 3HD2 LEU 69 6.188 3.503 -6.885 50 HD22 LEU 69 1HD2 LEU 69 4.616 4.287 -7.044 51 HD23 LEU 69 2HD2 LEU 69 6.095 5.217 -7.293 52 H ASN 70 H ASN 70 2.714 4.011 -11.158 53 HA ASN 70 HA ASN 70 3.878 4.421 -13.818 54 HB2 ASN 70 1HB ASN 70 1.764 5.494 -14.399 55 HB3 ASN 70 2HB ASN 70 1.467 3.902 -13.706 56 HD21 ASN 70 2HD2 ASN 70 -0.296 6.206 -13.894 57 HD22 ASN 70 1HD2 ASN 70 -0.770 6.583 -12.276 58 H VAL 71 H VAL 71 4.767 6.315 -14.437 59 HA VAL 71 HA VAL 71 5.333 8.267 -12.379 60 HB VAL 71 HB VAL 71 7.098 7.563 -13.947 61 HG11 VAL 71 1HG1 VAL 71 5.129 7.833 -15.876 62 HG12 VAL 71 2HG1 VAL 71 6.229 9.175 -16.194 63 HG13 VAL 71 3HG1 VAL 71 6.841 7.521 -16.160 64 HG21 VAL 71 3HG2 VAL 71 8.073 9.673 -14.195 65 HG22 VAL 71 1HG2 VAL 71 6.518 10.461 -14.463 66 HG23 VAL 71 2HG2 VAL 71 6.947 9.881 -12.854 67 H ASN 72 H ASN 72 3.197 7.927 -15.080 68 HA ASN 72 HA ASN 72 2.636 10.731 -15.365 69 HB2 ASN 72 1HB ASN 72 1.821 8.237 -16.670 70 HB3 ASN 72 2HB ASN 72 0.519 9.415 -16.538 71 HD21 ASN 72 2HD2 ASN 72 3.989 9.402 -17.297 72 HD22 ASN 72 1HD2 ASN 72 3.861 10.428 -18.681 73 H ALA 73 H ALA 73 1.889 8.544 -13.017 74 HA ALA 73 HA ALA 73 -0.800 8.833 -12.455 75 HB1 ALA 73 3HB ALA 73 1.380 7.714 -11.180 76 HB2 ALA 73 1HB ALA 73 0.813 8.939 -10.045 77 HB3 ALA 73 2HB ALA 73 -0.290 7.686 -10.614 78 H LYS 74 H LYS 74 -2.071 10.436 -11.759 79 HA LYS 74 HA LYS 74 -1.371 13.093 -11.825 80 HB2 LYS 74 1HB LYS 74 -3.684 12.430 -11.860 81 HB3 LYS 74 2HB LYS 74 -3.560 11.734 -10.249 82 HG2 LYS 74 1HG LYS 74 -3.038 14.057 -9.418 83 HG3 LYS 74 2HG LYS 74 -3.504 14.637 -11.018 84 HD2 LYS 74 1HD LYS 74 -5.318 12.881 -9.393 85 HD3 LYS 74 2HD LYS 74 -5.288 14.632 -9.173 86 HE2 LYS 74 1HE LYS 74 -5.801 13.223 -11.791 87 HE3 LYS 74 2HE LYS 74 -7.052 13.876 -10.735 88 HZ1 LYS 74 3HZ LYS 74 -5.955 16.077 -10.995 89 HZ2 LYS 74 1HZ LYS 74 -6.616 15.464 -12.427 90 HZ3 LYS 74 2HZ LYS 74 -4.946 15.394 -12.169 91 HA PRO 75 HA PRO 75 1.014 13.794 -8.182 92 HB2 PRO 75 1HB PRO 75 0.762 16.495 -8.064 93 HB3 PRO 75 2HB PRO 75 1.792 15.677 -9.244 94 HG2 PRO 75 1HG PRO 75 -0.968 16.786 -9.584 95 HG3 PRO 75 2HG PRO 75 0.426 16.898 -10.676 96 HD2 PRO 75 1HD PRO 75 -1.585 15.125 -11.058 97 HD3 PRO 75 2HD PRO 75 0.094 14.780 -11.521 98 H PHE 76 H PHE 76 -1.101 16.525 -7.809 99 HA PHE 76 HA PHE 76 -2.986 15.370 -6.048 100 HB2 PHE 76 1HB PHE 76 -2.194 16.204 -3.915 101 HB3 PHE 76 2HB PHE 76 -0.962 15.160 -4.618 102 HD1 PHE 76 HD2 PHE 76 0.872 16.392 -6.023 103 HD2 PHE 76 HD1 PHE 76 -1.580 18.258 -3.087 104 HE1 PHE 76 HE2 PHE 76 2.532 18.191 -5.786 105 HE2 PHE 76 HE1 PHE 76 0.076 20.062 -2.846 106 HZ PHE 76 HZ PHE 76 2.136 20.029 -4.195 107 H VAL 77 H VAL 77 -3.613 17.443 -4.398 108 HA VAL 77 HA VAL 77 -4.214 19.602 -6.309 109 HB VAL 77 HB VAL 77 -5.743 18.777 -3.837 110 HG11 VAL 77 1HG1 VAL 77 -6.464 20.896 -3.888 111 HG12 VAL 77 2HG1 VAL 77 -5.814 21.176 -5.504 112 HG13 VAL 77 3HG1 VAL 77 -7.385 20.397 -5.306 113 HG21 VAL 77 3HG2 VAL 77 -7.057 17.497 -5.123 114 HG22 VAL 77 1HG2 VAL 77 -7.081 18.678 -6.432 115 HG23 VAL 77 2HG2 VAL 77 -5.732 17.552 -6.286 116 HA PRO 78 HA PRO 78 -1.377 21.556 -3.253 117 HB2 PRO 78 1HB PRO 78 -0.204 23.193 -5.073 118 HB3 PRO 78 2HB PRO 78 0.323 21.529 -4.798 119 HG2 PRO 78 1HG PRO 78 -1.442 22.625 -6.953 120 HG3 PRO 78 2HG PRO 78 -0.129 21.439 -7.077 121 HD2 PRO 78 1HD PRO 78 -2.739 20.722 -7.027 122 HD3 PRO 78 2HD PRO 78 -1.456 19.705 -6.341 123 H ASN 79 H ASN 79 -0.939 24.045 -3.068 124 HA ASN 79 HA ASN 79 -3.492 25.441 -3.536 125 HB2 ASN 79 1HB ASN 79 -2.737 26.813 -1.474 126 HB3 ASN 79 2HB ASN 79 -3.386 25.197 -1.211 127 HD21 ASN 79 2HD2 ASN 79 -0.284 26.791 -1.859 128 HD22 ASN 79 1HD2 ASN 79 0.632 25.836 -0.747 129 H VAL 80 H VAL 80 -1.249 25.387 -5.342 130 HA VAL 80 HA VAL 80 -0.112 28.077 -5.087 131 HB VAL 80 HB VAL 80 0.582 25.922 -7.087 132 HG11 VAL 80 1HG1 VAL 80 1.487 28.695 -6.638 133 HG12 VAL 80 2HG1 VAL 80 2.747 27.504 -6.962 134 HG13 VAL 80 3HG1 VAL 80 1.438 27.742 -8.120 135 HG21 VAL 80 3HG2 VAL 80 1.608 26.533 -4.355 136 HG22 VAL 80 1HG2 VAL 80 1.326 24.975 -5.132 137 HG23 VAL 80 2HG2 VAL 80 2.730 25.942 -5.581 138 H HIS 81 H HIS 81 -1.753 29.424 -5.731 139 HA HIS 81 HA HIS 81 -3.287 28.928 -8.108 140 HB2 HIS 81 1HB HIS 81 -4.346 31.057 -7.651 141 HB3 HIS 81 2HB HIS 81 -4.198 30.156 -6.146 142 HD1 HIS 81 HD1 HIS 81 -2.402 31.017 -4.431 143 HD2 HIS 81 HD2 HIS 81 -3.007 33.474 -7.726 144 HE1 HIS 81 HE1 HIS 81 -1.342 33.217 -3.833 145 H ALA 82 H ALA 82 -0.487 30.856 -7.243 146 HA ALA 82 HA ALA 82 -0.371 32.466 -9.550 147 HB1 ALA 82 3HB ALA 82 0.943 33.155 -7.734 148 HB2 ALA 82 1HB ALA 82 1.711 31.575 -7.578 149 HB3 ALA 82 2HB ALA 82 2.102 32.615 -8.948 150 H1 GLY 541 1H GLY 541 8.179 21.055 14.891 151 HA2 GLY 541 1HA GLY 541 8.969 22.821 16.571 152 HA3 GLY 541 2HA GLY 541 7.872 23.876 15.691 153 H GLN 542 H GLN 542 5.733 22.153 15.277 154 HA GLN 542 HA GLN 542 4.891 20.777 17.585 155 HB2 GLN 542 1HB GLN 542 4.832 23.523 17.949 156 HB3 GLN 542 2HB GLN 542 3.175 23.133 17.507 157 HG2 GLN 542 1HG GLN 542 4.254 21.284 19.461 158 HG3 GLN 542 2HG GLN 542 4.294 22.955 20.020 159 HE21 GLN 542 2HE2 GLN 542 2.189 24.170 19.501 160 HE22 GLN 542 1HE2 GLN 542 0.731 23.329 19.888 161 H GLU 543 H GLU 543 2.410 20.489 17.553 162 HA GLU 543 HA GLU 543 0.641 19.608 16.420 163 HB2 GLU 543 1HB GLU 543 1.139 21.779 14.387 164 HB3 GLU 543 2HB GLU 543 -0.390 21.013 14.794 165 HG2 GLU 543 1HG GLU 543 -0.226 22.021 17.057 166 HG3 GLU 543 2HG GLU 543 1.213 22.886 16.518 167 HA PRO 544 HA PRO 544 3.452 17.407 13.446 168 HB2 PRO 544 1HB PRO 544 2.993 14.937 14.475 169 HB3 PRO 544 2HB PRO 544 4.243 16.020 15.098 170 HG2 PRO 544 1HG PRO 544 1.492 15.495 16.156 171 HG3 PRO 544 2HG PRO 544 3.020 15.651 17.042 172 HD2 PRO 544 1HD PRO 544 1.221 17.668 16.874 173 HD3 PRO 544 2HD PRO 544 2.970 17.955 16.973 174 H LEU 545 H LEU 545 2.862 15.537 12.010 175 HA LEU 545 HA LEU 545 0.102 15.852 11.147 176 HB2 LEU 545 1HB LEU 545 2.352 15.776 9.728 177 HB3 LEU 545 2HB LEU 545 1.986 14.052 9.728 178 HG LEU 545 HG LEU 545 -0.264 14.632 8.769 179 HD11 LEU 545 1HD1 LEU 545 0.989 17.344 8.804 180 HD12 LEU 545 2HD1 LEU 545 -0.651 16.859 9.235 181 HD13 LEU 545 3HD1 LEU 545 -0.165 16.916 7.541 182 HD21 LEU 545 3HD2 LEU 545 1.484 15.692 6.723 183 HD22 LEU 545 1HD2 LEU 545 0.626 14.152 6.788 184 HD23 LEU 545 2HD2 LEU 545 2.209 14.312 7.548 185 H THR 546 H THR 546 -1.353 14.153 10.870 186 HA THR 546 HA THR 546 -0.736 11.447 11.473 187 HB THR 546 HB THR 546 -0.654 12.356 13.775 188 HG1 THR 546 HG1 THR 546 -1.328 10.365 14.061 189 HG21 THR 546 3HG2 THR 546 -2.217 14.191 13.574 190 HG22 THR 546 1HG2 THR 546 -2.778 13.085 14.827 191 HG23 THR 546 2HG2 THR 546 -3.537 13.073 13.235 192 H ALA 547 H ALA 547 -2.812 10.131 11.723 193 HA ALA 547 HA ALA 547 -4.473 10.571 9.536 194 HB1 ALA 547 3HB ALA 547 -4.930 8.899 12.001 195 HB2 ALA 547 1HB ALA 547 -5.951 8.846 10.563 196 HB3 ALA 547 2HB ALA 547 -4.254 8.374 10.458 197 H SER 548 H SER 548 -4.812 11.575 12.881 198 HA SER 548 HA SER 548 -7.504 12.295 12.896 199 HB2 SER 548 1HB SER 548 -5.200 13.602 14.362 200 HB3 SER 548 2HB SER 548 -6.906 13.815 14.753 201 HG SER 548 HG SER 548 -7.027 11.681 15.344 202 H MET 549 H MET 549 -4.763 13.842 11.442 203 HA MET 549 HA MET 549 -5.771 16.451 11.182 204 HB2 MET 549 1HB MET 549 -3.855 14.929 9.408 205 HB3 MET 549 2HB MET 549 -4.145 16.660 9.311 206 HG2 MET 549 1HG MET 549 -3.076 15.228 11.731 207 HG3 MET 549 2HG MET 549 -2.094 16.077 10.540 208 HE1 MET 549 3HE MET 549 -1.008 17.642 11.295 209 HE2 MET 549 1HE MET 549 -1.781 19.212 11.080 210 HE3 MET 549 2HE MET 549 -1.324 18.669 12.694 211 H LEU 550 H LEU 550 -5.751 13.796 8.798 212 HA LEU 550 HA LEU 550 -7.529 15.205 7.038 213 HB2 LEU 550 1HB LEU 550 -6.973 12.272 6.858 214 HB3 LEU 550 2HB LEU 550 -7.270 13.429 5.562 215 HG LEU 550 HG LEU 550 -4.743 13.097 7.172 216 HD11 LEU 550 1HD1 LEU 550 -5.690 11.977 4.730 217 HD12 LEU 550 2HD1 LEU 550 -4.140 11.733 5.535 218 HD13 LEU 550 3HD1 LEU 550 -4.336 13.051 4.379 219 HD21 LEU 550 3HD2 LEU 550 -4.681 15.359 6.884 220 HD22 LEU 550 1HD2 LEU 550 -5.708 15.319 5.451 221 HD23 LEU 550 2HD2 LEU 550 -4.012 14.850 5.333 222 H ALA 551 H ALA 551 -7.862 12.987 9.660 223 HA ALA 551 HA ALA 551 -10.260 11.728 9.140 224 HB1 ALA 551 3HB ALA 551 -10.481 11.390 11.476 225 HB2 ALA 551 1HB ALA 551 -8.752 11.393 11.128 226 HB3 ALA 551 2HB ALA 551 -9.511 12.816 11.844 227 H SER 552 H SER 552 -9.783 14.896 10.695 228 HA SER 552 HA SER 552 -12.648 15.426 10.480 229 HB2 SER 552 1HB SER 552 -11.066 15.930 12.543 230 HB3 SER 552 2HB SER 552 -10.733 17.407 11.640 231 HG SER 552 HG SER 552 -13.228 16.471 12.598 232 H ALA 553 H ALA 553 -11.247 15.291 8.050 233 HA ALA 553 HA ALA 553 -11.665 18.024 7.091 234 HB1 ALA 553 3HB ALA 553 -9.401 16.712 5.788 235 HB2 ALA 553 1HB ALA 553 -9.584 18.374 6.347 236 HB3 ALA 553 2HB ALA 553 -9.125 17.106 7.484 237 HA PRO 554 HA PRO 554 -13.719 16.154 3.695 238 HB2 PRO 554 1HB PRO 554 -13.048 17.789 1.634 239 HB3 PRO 554 2HB PRO 554 -14.162 18.271 2.919 240 HG2 PRO 554 1HG PRO 554 -11.253 18.903 2.598 241 HG3 PRO 554 2HG PRO 554 -12.581 19.968 3.095 242 HD2 PRO 554 1HD PRO 554 -10.866 18.852 4.869 243 HD3 PRO 554 2HD PRO 554 -12.565 19.184 5.263 244 HA PRO 555 HA PRO 555 -11.139 13.484 1.339 245 HB2 PRO 555 1HB PRO 555 -12.463 13.295 -1.024 246 HB3 PRO 555 2HB PRO 555 -13.048 12.547 0.467 247 HG2 PRO 555 1HG PRO 555 -13.882 15.120 -0.815 248 HG3 PRO 555 2HG PRO 555 -14.888 13.861 -0.076 249 HD2 PRO 555 1HD PRO 555 -14.246 16.154 1.212 250 HD3 PRO 555 2HD PRO 555 -14.481 14.614 2.064 251 H GLN 556 H GLN 556 -11.593 16.704 0.382 252 HA GLN 556 HA GLN 556 -9.727 16.505 -1.861 253 HB2 GLN 556 1HB GLN 556 -11.578 18.648 -0.869 254 HB3 GLN 556 2HB GLN 556 -10.258 19.050 -1.959 255 HG2 GLN 556 1HG GLN 556 -12.209 16.880 -2.624 256 HG3 GLN 556 2HG GLN 556 -12.571 18.574 -2.953 257 HE21 GLN 556 2HE2 GLN 556 -11.996 19.307 -4.864 258 HE22 GLN 556 1HE2 GLN 556 -10.790 18.627 -5.897 259 H GLU 557 H GLU 557 -10.070 18.083 1.290 260 HA GLU 557 HA GLU 557 -7.611 19.472 1.216 261 HB2 GLU 557 1HB GLU 557 -9.451 18.629 3.439 262 HB3 GLU 557 2HB GLU 557 -7.918 19.420 3.782 263 HG2 GLU 557 1HG GLU 557 -8.597 21.353 2.483 264 HG3 GLU 557 2HG GLU 557 -10.115 20.559 2.069 265 H GLN 558 H GLN 558 -8.411 16.181 1.818 266 HA GLN 558 HA GLN 558 -6.350 15.336 3.467 267 HB2 GLN 558 1HB GLN 558 -7.606 13.866 1.143 268 HB3 GLN 558 2HB GLN 558 -6.628 13.120 2.400 269 HG2 GLN 558 1HG GLN 558 -8.580 14.505 3.792 270 HG3 GLN 558 2HG GLN 558 -9.429 13.824 2.406 271 HE21 GLN 558 2HE2 GLN 558 -9.787 13.106 5.138 272 HE22 GLN 558 1HE2 GLN 558 -9.360 11.440 5.296 273 H LYS 559 H LYS 559 -6.318 14.772 -0.048 274 HA LYS 559 HA LYS 559 -3.604 14.266 -0.270 275 HB2 LYS 559 1HB LYS 559 -3.882 14.871 -2.682 276 HB3 LYS 559 2HB LYS 559 -5.076 13.726 -2.083 277 HG2 LYS 559 1HG LYS 559 -6.565 15.787 -1.717 278 HG3 LYS 559 2HG LYS 559 -5.426 16.616 -2.780 279 HD2 LYS 559 1HD LYS 559 -6.854 14.059 -3.499 280 HD3 LYS 559 2HD LYS 559 -7.427 15.669 -3.942 281 HE2 LYS 559 1HE LYS 559 -6.213 15.385 -5.801 282 HE3 LYS 559 2HE LYS 559 -4.824 15.734 -4.774 283 HZ1 LYS 559 3HZ LYS 559 -5.185 13.103 -4.364 284 HZ2 LYS 559 1HZ LYS 559 -4.103 13.758 -5.488 285 HZ3 LYS 559 2HZ LYS 559 -5.636 13.246 -5.988 286 H GLN 560 H GLN 560 -5.297 17.314 -0.121 287 HA GLN 560 HA GLN 560 -3.239 18.979 -1.090 288 HB2 GLN 560 1HB GLN 560 -5.615 19.668 -0.810 289 HB3 GLN 560 2HB GLN 560 -5.377 19.668 0.932 290 HG2 GLN 560 1HG GLN 560 -3.525 21.295 -0.712 291 HG3 GLN 560 2HG GLN 560 -5.182 21.866 -0.522 292 HE21 GLN 560 2HE2 GLN 560 -2.697 23.018 0.462 293 HE22 GLN 560 1HE2 GLN 560 -2.862 23.127 2.178 294 H MET 561 H MET 561 -4.302 18.676 2.302 295 HA MET 561 HA MET 561 -2.041 19.863 3.421 296 HB2 MET 561 1HB MET 561 -3.786 17.750 4.696 297 HB3 MET 561 2HB MET 561 -2.768 18.912 5.536 298 HG2 MET 561 1HG MET 561 -4.146 20.733 4.811 299 HG3 MET 561 2HG MET 561 -5.096 19.660 3.786 300 HE1 MET 561 3HE MET 561 -7.369 17.971 5.266 301 HE2 MET 561 1HE MET 561 -5.761 17.413 4.803 302 HE3 MET 561 2HE MET 561 -6.340 17.164 6.450 303 H LEU 562 H LEU 562 -2.798 16.392 3.115 304 HA LEU 562 HA LEU 562 -0.477 15.356 4.197 305 HB2 LEU 562 1HB LEU 562 -2.451 14.033 3.560 306 HB3 LEU 562 2HB LEU 562 -2.038 14.259 1.862 307 HG LEU 562 HG LEU 562 -0.015 12.989 3.634 308 HD11 LEU 562 1HD1 LEU 562 -2.694 11.917 3.134 309 HD12 LEU 562 2HD1 LEU 562 -1.494 11.464 4.344 310 HD13 LEU 562 3HD1 LEU 562 -1.377 10.826 2.704 311 HD21 LEU 562 3HD2 LEU 562 -0.482 11.689 1.145 312 HD22 LEU 562 1HD2 LEU 562 0.932 12.604 1.667 313 HD23 LEU 562 2HD2 LEU 562 -0.406 13.429 0.867 314 H GLY 563 H GLY 563 -1.105 15.822 0.709 315 HA2 GLY 563 1HA GLY 563 1.460 15.238 -0.193 316 HA3 GLY 563 2HA GLY 563 0.322 16.283 -1.029 317 H GLU 564 H GLU 564 0.104 18.405 0.691 318 HA GLU 564 HA GLU 564 2.266 19.996 0.024 319 HB2 GLU 564 1HB GLU 564 0.034 20.211 1.974 320 HB3 GLU 564 2HB GLU 564 1.385 21.318 2.179 321 HG2 GLU 564 1HG GLU 564 0.331 21.086 -0.558 322 HG3 GLU 564 2HG GLU 564 -0.752 21.815 0.627 323 H ARG 565 H ARG 565 1.620 18.352 3.109 324 HA ARG 565 HA ARG 565 4.036 19.226 4.336 325 HB2 ARG 565 1HB ARG 565 1.922 18.457 5.516 326 HB3 ARG 565 2HB ARG 565 2.405 16.813 5.120 327 HG2 ARG 565 1HG ARG 565 3.322 16.933 7.179 328 HG3 ARG 565 2HG ARG 565 4.663 17.635 6.271 329 HD2 ARG 565 1HD ARG 565 3.668 19.889 6.721 330 HD3 ARG 565 2HD ARG 565 2.514 19.097 7.793 331 HE ARG 565 HE ARG 565 4.154 18.952 9.375 332 HH11 ARG 565 1HH1 ARG 565 5.630 19.523 6.275 333 HH12 ARG 565 2HH1 ARG 565 7.223 19.730 6.926 334 HH21 ARG 565 1HH2 ARG 565 6.245 19.221 10.244 335 HH22 ARG 565 2HH2 ARG 565 7.572 19.556 9.183 336 H LEU 566 H LEU 566 3.168 16.557 2.295 337 HA LEU 566 HA LEU 566 5.444 14.936 2.920 338 HB2 LEU 566 1HB LEU 566 3.092 14.755 1.271 339 HB3 LEU 566 2HB LEU 566 4.518 14.249 0.367 340 HG LEU 566 HG LEU 566 5.003 12.699 2.342 341 HD11 LEU 566 1HD1 LEU 566 2.180 13.527 2.958 342 HD12 LEU 566 2HD1 LEU 566 3.585 13.548 4.023 343 HD13 LEU 566 3HD1 LEU 566 2.878 12.011 3.527 344 HD21 LEU 566 3HD2 LEU 566 4.392 11.513 0.502 345 HD22 LEU 566 1HD2 LEU 566 2.904 12.429 0.266 346 HD23 LEU 566 2HD2 LEU 566 2.983 11.182 1.511 347 H PHE 567 H PHE 567 4.804 17.579 0.788 348 HA PHE 567 HA PHE 567 6.624 17.251 -1.242 349 HB2 PHE 567 1HB PHE 567 5.082 19.362 -0.236 350 HB3 PHE 567 2HB PHE 567 6.734 19.969 -0.248 351 HD1 PHE 567 HD1 PHE 567 7.815 18.568 -2.616 352 HD2 PHE 567 HD2 PHE 567 4.068 20.489 -1.996 353 HE1 PHE 567 HE1 PHE 567 7.640 18.998 -5.033 354 HE2 PHE 567 HE2 PHE 567 3.886 20.921 -4.411 355 HZ PHE 567 HZ PHE 567 5.672 20.175 -5.933 356 HA PRO 568 HA PRO 568 10.114 19.191 1.478 357 HB2 PRO 568 1HB PRO 568 9.608 19.487 4.129 358 HB3 PRO 568 2HB PRO 568 9.244 20.739 2.935 359 HG2 PRO 568 1HG PRO 568 7.416 18.726 4.188 360 HG3 PRO 568 2HG PRO 568 7.137 20.450 3.875 361 HD2 PRO 568 1HD PRO 568 6.153 18.501 2.273 362 HD3 PRO 568 2HD PRO 568 6.632 20.094 1.655 363 H LEU 569 H LEU 569 8.048 16.881 3.207 364 HA LEU 569 HA LEU 569 9.938 15.530 4.689 365 HB2 LEU 569 1HB LEU 569 7.369 15.228 4.505 366 HB3 LEU 569 2HB LEU 569 7.767 14.041 3.263 367 HG LEU 569 HG LEU 569 7.340 13.017 5.458 368 HD11 LEU 569 1HD1 LEU 569 10.254 12.653 4.933 369 HD12 LEU 569 2HD1 LEU 569 9.081 12.211 3.694 370 HD13 LEU 569 3HD1 LEU 569 9.014 11.449 5.283 371 HD21 LEU 569 3HD2 LEU 569 8.350 13.630 7.372 372 HD22 LEU 569 1HD2 LEU 569 8.628 15.148 6.518 373 HD23 LEU 569 2HD2 LEU 569 9.900 13.928 6.582 374 H ILE 570 H ILE 570 9.042 15.031 1.299 375 HA ILE 570 HA ILE 570 10.854 12.842 0.931 376 HB ILE 570 HB ILE 570 9.292 14.537 -1.008 377 HG12 ILE 570 1HG1 ILE 570 8.999 11.584 -0.676 378 HG13 ILE 570 2HG1 ILE 570 8.346 12.634 0.578 379 HG21 ILE 570 1HG2 ILE 570 11.112 13.987 -2.328 380 HG22 ILE 570 2HG2 ILE 570 11.354 12.436 -1.526 381 HG23 ILE 570 3HG2 ILE 570 10.003 12.651 -2.638 382 HD11 ILE 570 3HD1 ILE 570 7.663 13.246 -2.241 383 HD12 ILE 570 1HD1 ILE 570 6.901 11.850 -1.479 384 HD13 ILE 570 2HD1 ILE 570 6.712 13.454 -0.771 385 H GLN 571 H GLN 571 10.963 16.312 0.433 386 HA GLN 571 HA GLN 571 13.222 16.496 -1.188 387 HB2 GLN 571 1HB GLN 571 12.154 18.355 0.935 388 HB3 GLN 571 2HB GLN 571 13.511 18.768 -0.104 389 HG2 GLN 571 1HG GLN 571 12.183 18.824 -2.020 390 HG3 GLN 571 2HG GLN 571 10.874 17.931 -1.247 391 HE21 GLN 571 2HE2 GLN 571 9.511 19.646 -2.028 392 HE22 GLN 571 1HE2 GLN 571 9.390 21.120 -1.136 393 H ALA 572 H ALA 572 12.937 15.536 2.084 394 HA ALA 572 HA ALA 572 15.352 16.283 3.206 395 HB1 ALA 572 3HB ALA 572 13.680 13.815 3.591 396 HB2 ALA 572 1HB ALA 572 15.128 14.140 4.545 397 HB3 ALA 572 2HB ALA 572 13.762 15.254 4.607 398 H MET 573 H MET 573 14.704 13.906 0.758 399 HA MET 573 HA MET 573 17.577 13.267 0.680 400 HB2 MET 573 1HB MET 573 16.660 11.019 -0.347 401 HB3 MET 573 2HB MET 573 16.797 11.227 1.394 402 HG2 MET 573 1HG MET 573 14.238 12.084 0.248 403 HG3 MET 573 2HG MET 573 14.581 10.361 0.110 404 HE1 MET 573 3HE MET 573 12.186 11.513 3.315 405 HE2 MET 573 1HE MET 573 12.550 12.559 1.942 406 HE3 MET 573 2HE MET 573 12.054 10.889 1.671 407 H HIS 574 H HIS 574 14.548 13.491 -1.135 408 HA HIS 574 HA HIS 574 16.136 13.971 -3.570 409 HB2 HIS 574 1HB HIS 574 13.530 12.524 -3.184 410 HB3 HIS 574 2HB HIS 574 13.955 13.217 -4.746 411 HD1 HIS 574 HD1 HIS 574 14.967 10.515 -2.348 412 HD2 HIS 574 HD2 HIS 574 15.889 11.830 -6.180 413 HE1 HIS 574 HE1 HIS 574 16.379 8.697 -3.361 414 HA PRO 575 HA PRO 575 13.779 17.834 -2.539 415 HB2 PRO 575 1HB PRO 575 15.853 19.511 -3.042 416 HB3 PRO 575 2HB PRO 575 15.599 18.742 -1.471 417 HG2 PRO 575 1HG PRO 575 17.454 17.958 -3.686 418 HG3 PRO 575 2HG PRO 575 17.755 18.006 -1.939 419 HD2 PRO 575 1HD PRO 575 17.207 15.707 -3.260 420 HD3 PRO 575 2HD PRO 575 16.714 15.982 -1.577 421 H THR 576 H THR 576 15.273 16.440 -5.228 422 HA THR 576 HA THR 576 14.548 18.613 -7.043 423 HB THR 576 HB THR 576 15.513 16.937 -8.779 424 HG1 THR 576 HG1 THR 576 16.793 15.924 -6.453 425 HG21 THR 576 3HG2 THR 576 17.815 17.675 -8.260 426 HG22 THR 576 1HG2 THR 576 17.259 18.236 -6.684 427 HG23 THR 576 2HG2 THR 576 16.645 18.991 -8.155 428 H LEU 577 H LEU 577 13.958 15.110 -6.727 429 HA LEU 577 HA LEU 577 11.663 15.333 -8.511 430 HB2 LEU 577 1HB LEU 577 12.968 12.949 -7.209 431 HB3 LEU 577 2HB LEU 577 11.578 12.861 -8.289 432 HG LEU 577 HG LEU 577 13.425 12.272 -9.607 433 HD11 LEU 577 1HD1 LEU 577 13.447 15.133 -10.347 434 HD12 LEU 577 2HD1 LEU 577 11.876 14.333 -10.309 435 HD13 LEU 577 3HD1 LEU 577 13.161 13.702 -11.339 436 HD21 LEU 577 3HD2 LEU 577 14.906 13.734 -7.779 437 HD22 LEU 577 1HD2 LEU 577 15.107 14.611 -9.296 438 HD23 LEU 577 2HD2 LEU 577 15.523 12.899 -9.206 439 H ALA 578 H ALA 578 11.844 16.339 -5.633 440 HA ALA 578 HA ALA 578 10.265 14.842 -3.916 441 HB1 ALA 578 3HB ALA 578 10.061 17.830 -4.022 442 HB2 ALA 578 1HB ALA 578 10.033 16.761 -2.618 443 HB3 ALA 578 2HB ALA 578 11.542 17.032 -3.491 444 H GLY 579 H GLY 579 9.265 17.226 -6.354 445 HA2 GLY 579 1HA GLY 579 6.517 17.198 -5.794 446 HA3 GLY 579 2HA GLY 579 7.233 17.620 -7.343 447 H LYS 580 H LYS 580 8.332 15.328 -8.224 448 HA LYS 580 HA LYS 580 6.118 13.887 -9.190 449 HB2 LYS 580 1HB LYS 580 9.072 13.266 -9.200 450 HB3 LYS 580 2HB LYS 580 7.878 12.264 -10.015 451 HG2 LYS 580 1HG LYS 580 7.191 14.327 -11.290 452 HG3 LYS 580 2HG LYS 580 8.623 15.112 -10.618 453 HD2 LYS 580 1HD LYS 580 10.018 13.998 -11.985 454 HD3 LYS 580 2HD LYS 580 9.130 12.482 -11.814 455 HE2 LYS 580 1HE LYS 580 9.103 13.375 -14.122 456 HE3 LYS 580 2HE LYS 580 7.493 13.204 -13.424 457 HZ1 LYS 580 3HZ LYS 580 8.274 15.392 -14.660 458 HZ2 LYS 580 1HZ LYS 580 8.808 15.787 -13.103 459 HZ3 LYS 580 2HZ LYS 580 7.177 15.429 -13.373 460 H ILE 581 H ILE 581 8.507 13.118 -6.686 461 HA ILE 581 HA ILE 581 7.660 10.518 -6.114 462 HB ILE 581 HB ILE 581 8.886 12.563 -4.261 463 HG12 ILE 581 1HG1 ILE 581 10.333 10.218 -5.422 464 HG13 ILE 581 2HG1 ILE 581 10.063 11.632 -6.435 465 HG21 ILE 581 1HG2 ILE 581 8.559 9.586 -3.916 466 HG22 ILE 581 2HG2 ILE 581 9.523 10.630 -2.872 467 HG23 ILE 581 3HG2 ILE 581 7.775 10.849 -2.966 468 HD11 ILE 581 3HD1 ILE 581 11.690 11.382 -3.942 469 HD12 ILE 581 1HD1 ILE 581 12.157 12.001 -5.526 470 HD13 ILE 581 2HD1 ILE 581 11.096 12.951 -4.485 471 H THR 582 H THR 582 6.895 13.477 -4.268 472 HA THR 582 HA THR 582 4.986 12.366 -2.588 473 HB THR 582 HB THR 582 5.993 14.666 -2.380 474 HG1 THR 582 HG1 THR 582 3.773 15.560 -1.748 475 HG21 THR 582 3HG2 THR 582 3.851 15.361 -4.395 476 HG22 THR 582 1HG2 THR 582 5.591 15.427 -4.673 477 HG23 THR 582 2HG2 THR 582 4.843 16.515 -3.504 478 H GLY 583 H GLY 583 4.676 13.550 -5.879 479 HA2 GLY 583 1HA GLY 583 1.874 13.690 -6.025 480 HA3 GLY 583 2HA GLY 583 2.952 13.435 -7.389 481 H MET 584 H MET 584 3.975 11.070 -7.236 482 HA MET 584 HA MET 584 1.871 9.296 -7.791 483 HB2 MET 584 1HB MET 584 4.734 8.600 -7.115 484 HB3 MET 584 2HB MET 584 3.587 7.579 -7.972 485 HG2 MET 584 1HG MET 584 3.600 8.989 -9.866 486 HG3 MET 584 2HG MET 584 4.449 10.265 -8.995 487 HE1 MET 584 3HE MET 584 7.191 10.284 -8.689 488 HE2 MET 584 1HE MET 584 6.620 9.133 -7.481 489 HE3 MET 584 2HE MET 584 7.992 8.722 -8.510 490 H LEU 585 H LEU 585 3.987 9.584 -4.955 491 HA LEU 585 HA LEU 585 2.996 7.388 -3.529 492 HB2 LEU 585 1HB LEU 585 4.451 9.881 -2.832 493 HB3 LEU 585 2HB LEU 585 3.714 8.965 -1.520 494 HG LEU 585 HG LEU 585 5.082 7.069 -1.969 495 HD11 LEU 585 1HD1 LEU 585 6.873 7.459 -3.871 496 HD12 LEU 585 2HD1 LEU 585 5.588 8.463 -4.542 497 HD13 LEU 585 3HD1 LEU 585 5.293 6.755 -4.216 498 HD21 LEU 585 3HD2 LEU 585 6.511 9.699 -1.925 499 HD22 LEU 585 1HD2 LEU 585 7.411 8.183 -1.945 500 HD23 LEU 585 2HD2 LEU 585 6.291 8.526 -0.627 501 H LEU 586 H LEU 586 1.744 10.608 -3.965 502 HA LEU 586 HA LEU 586 -0.182 10.397 -1.829 503 HB2 LEU 586 1HB LEU 586 0.716 12.565 -2.421 504 HB3 LEU 586 2HB LEU 586 0.120 12.389 -4.070 505 HG LEU 586 HG LEU 586 -1.850 12.321 -1.837 506 HD11 LEU 586 1HD1 LEU 586 -0.176 14.642 -2.587 507 HD12 LEU 586 2HD1 LEU 586 -0.963 14.254 -1.058 508 HD13 LEU 586 3HD1 LEU 586 -1.905 14.929 -2.387 509 HD21 LEU 586 3HD2 LEU 586 -2.678 13.932 -3.963 510 HD22 LEU 586 1HD2 LEU 586 -3.185 12.280 -3.611 511 HD23 LEU 586 2HD2 LEU 586 -1.834 12.572 -4.706 512 H GLU 587 H GLU 587 0.001 9.487 -5.128 513 HA GLU 587 HA GLU 587 -2.825 9.492 -5.637 514 HB2 GLU 587 1HB GLU 587 -0.817 9.591 -7.319 515 HB3 GLU 587 2HB GLU 587 -0.883 7.838 -7.204 516 HG2 GLU 587 1HG GLU 587 -3.354 9.400 -7.813 517 HG3 GLU 587 2HG GLU 587 -2.183 9.045 -9.082 518 H ILE 588 H ILE 588 -0.424 6.880 -5.260 519 HA ILE 588 HA ILE 588 -1.861 4.641 -5.351 520 HB ILE 588 HB ILE 588 -0.550 4.049 -3.064 521 HG12 ILE 588 1HG1 ILE 588 1.237 6.123 -4.294 522 HG13 ILE 588 2HG1 ILE 588 0.082 6.581 -3.048 523 HG21 ILE 588 1HG2 ILE 588 1.193 4.314 -5.433 524 HG22 ILE 588 2HG2 ILE 588 0.856 2.910 -4.421 525 HG23 ILE 588 3HG2 ILE 588 -0.304 3.408 -5.652 526 HD11 ILE 588 3HD1 ILE 588 2.294 6.152 -2.126 527 HD12 ILE 588 1HD1 ILE 588 1.103 5.009 -1.506 528 HD13 ILE 588 2HD1 ILE 588 2.241 4.506 -2.756 529 H ASP 589 H ASP 589 -1.573 6.404 -2.260 530 HA ASP 589 HA ASP 589 -4.265 6.511 -1.631 531 HB2 ASP 589 1HB ASP 589 -3.320 3.855 -1.484 532 HB3 ASP 589 2HB ASP 589 -3.503 4.409 0.179 533 H ASN 590 H ASN 590 -4.154 8.217 -0.338 534 HA ASN 590 HA ASN 590 -1.962 9.077 1.108 535 HB2 ASN 590 1HB ASN 590 -4.908 9.616 1.392 536 HB3 ASN 590 2HB ASN 590 -3.745 10.346 2.496 537 HD21 ASN 590 2HD2 ASN 590 -5.530 11.521 0.459 538 HD22 ASN 590 1HD2 ASN 590 -4.499 12.448 -0.571 539 H SER 591 H SER 591 -4.712 7.133 2.224 540 HA SER 591 HA SER 591 -4.152 6.982 4.916 541 HB2 SER 591 1HB SER 591 -6.072 5.914 3.456 542 HB3 SER 591 2HB SER 591 -5.027 4.495 3.499 543 HG SER 591 HG SER 591 -6.720 5.056 5.289 544 H GLU 592 H GLU 592 -2.833 4.982 2.301 545 HA GLU 592 HA GLU 592 -1.320 3.243 3.894 546 HB2 GLU 592 1HB GLU 592 -1.833 2.973 1.445 547 HB3 GLU 592 2HB GLU 592 -0.600 4.182 1.116 548 HG2 GLU 592 1HG GLU 592 0.470 2.140 0.790 549 HG3 GLU 592 2HG GLU 592 0.998 2.666 2.387 550 H LEU 593 H LEU 593 -0.573 6.415 2.550 551 HA LEU 593 HA LEU 593 2.170 6.441 3.222 552 HB2 LEU 593 1HB LEU 593 0.559 8.948 3.185 553 HB3 LEU 593 2HB LEU 593 2.180 8.647 2.562 554 HG LEU 593 HG LEU 593 -0.434 7.833 1.297 555 HD11 LEU 593 1HD1 LEU 593 -0.231 9.617 -0.031 556 HD12 LEU 593 2HD1 LEU 593 1.508 9.396 -0.221 557 HD13 LEU 593 3HD1 LEU 593 0.875 10.232 1.197 558 HD21 LEU 593 3HD2 LEU 593 2.305 7.387 0.148 559 HD22 LEU 593 1HD2 LEU 593 0.760 6.735 -0.398 560 HD23 LEU 593 2HD2 LEU 593 1.478 6.159 1.107 561 H LEU 594 H LEU 594 -0.735 7.377 4.976 562 HA LEU 594 HA LEU 594 0.535 8.664 7.138 563 HB2 LEU 594 1HB LEU 594 -2.139 7.423 6.693 564 HB3 LEU 594 2HB LEU 594 -1.664 7.869 8.331 565 HG LEU 594 HG LEU 594 -1.801 9.771 5.992 566 HD11 LEU 594 1HD1 LEU 594 -4.020 9.419 6.360 567 HD12 LEU 594 2HD1 LEU 594 -3.717 10.644 7.592 568 HD13 LEU 594 3HD1 LEU 594 -3.783 8.940 8.041 569 HD21 LEU 594 3HD2 LEU 594 -1.862 10.844 8.698 570 HD22 LEU 594 1HD2 LEU 594 -0.897 11.333 7.305 571 HD23 LEU 594 2HD2 LEU 594 -0.360 9.997 8.325 572 H HIS 595 H HIS 595 0.420 5.399 6.239 573 HA HIS 595 HA HIS 595 1.137 4.537 8.962 574 HB2 HIS 595 1HB HIS 595 -0.826 3.483 7.512 575 HB3 HIS 595 2HB HIS 595 0.504 2.555 6.824 576 HD1 HIS 595 HD1 HIS 595 1.605 0.781 8.312 577 HD2 HIS 595 HD2 HIS 595 -1.421 2.906 10.205 578 HE1 HIS 595 HE1 HIS 595 1.128 -0.477 10.437 579 H MET 596 H MET 596 2.303 5.017 5.790 580 HA MET 596 HA MET 596 4.562 3.209 6.119 581 HB2 MET 596 1HB MET 596 3.586 4.949 3.871 582 HB3 MET 596 2HB MET 596 5.195 4.241 3.837 583 HG2 MET 596 1HG MET 596 4.120 2.003 4.135 584 HG3 MET 596 2HG MET 596 2.562 2.797 3.915 585 HE1 MET 596 3HE MET 596 3.072 4.340 0.318 586 HE2 MET 596 1HE MET 596 2.483 4.682 1.945 587 HE3 MET 596 2HE MET 596 4.162 5.024 1.526 588 H LEU 597 H LEU 597 3.827 6.637 6.169 589 HA LEU 597 HA LEU 597 6.478 7.601 6.122 590 HB2 LEU 597 1HB LEU 597 5.586 9.667 6.497 591 HB3 LEU 597 2HB LEU 597 4.173 8.817 5.874 592 HG LEU 597 HG LEU 597 3.400 10.094 7.689 593 HD11 LEU 597 1HD1 LEU 597 2.250 8.462 8.683 594 HD12 LEU 597 2HD1 LEU 597 3.705 7.716 9.343 595 HD13 LEU 597 3HD1 LEU 597 3.202 7.356 7.692 596 HD21 LEU 597 3HD2 LEU 597 5.162 9.017 9.768 597 HD22 LEU 597 1HD2 LEU 597 4.585 10.663 9.505 598 HD23 LEU 597 2HD2 LEU 597 5.967 10.057 8.593 599 H GLU 598 H GLU 598 4.816 5.849 8.466 600 HA GLU 598 HA GLU 598 6.348 6.940 10.700 601 HB2 GLU 598 1HB GLU 598 4.969 5.572 12.122 602 HB3 GLU 598 2HB GLU 598 3.932 6.416 10.980 603 HG2 GLU 598 1HG GLU 598 3.138 4.518 10.158 604 HG3 GLU 598 2HG GLU 598 4.753 3.839 9.965 605 H SER 599 H SER 599 7.680 5.519 8.530 606 HA SER 599 HA SER 599 9.278 3.756 10.126 607 HB2 SER 599 1HB SER 599 7.125 2.512 9.020 608 HB3 SER 599 2HB SER 599 8.318 2.307 7.738 609 HG SER 599 HG SER 599 8.512 1.487 10.443 610 HA PRO 600 HA PRO 600 12.265 5.262 7.261 611 HB2 PRO 600 1HB PRO 600 14.263 3.498 7.781 612 HB3 PRO 600 2HB PRO 600 13.825 4.806 8.886 613 HG2 PRO 600 1HG PRO 600 13.069 1.911 8.983 614 HG3 PRO 600 2HG PRO 600 13.581 2.979 10.303 615 HD2 PRO 600 1HD PRO 600 10.984 2.359 9.855 616 HD3 PRO 600 2HD PRO 600 11.491 3.927 10.515 617 H GLU 601 H GLU 601 11.998 1.703 7.387 618 HA GLU 601 HA GLU 601 13.006 1.215 4.820 619 HB2 GLU 601 1HB GLU 601 11.748 -0.974 5.025 620 HB3 GLU 601 2HB GLU 601 12.883 -0.616 6.319 621 HG2 GLU 601 1HG GLU 601 11.195 -0.172 7.849 622 HG3 GLU 601 2HG GLU 601 9.987 0.080 6.589 623 H SER 602 H SER 602 9.958 2.412 5.854 624 HA SER 602 HA SER 602 8.577 1.704 3.406 625 HB2 SER 602 1HB SER 602 7.825 3.068 5.959 626 HB3 SER 602 2HB SER 602 6.825 3.334 4.531 627 HG SER 602 HG SER 602 6.664 1.018 4.376 628 H LEU 603 H LEU 603 9.430 4.757 5.044 629 HA LEU 603 HA LEU 603 8.716 6.495 3.003 630 HB2 LEU 603 1HB LEU 603 9.190 7.499 5.037 631 HB3 LEU 603 2HB LEU 603 10.714 6.631 5.221 632 HG LEU 603 HG LEU 603 11.699 8.050 3.455 633 HD11 LEU 603 1HD1 LEU 603 10.578 9.746 2.389 634 HD12 LEU 603 2HD1 LEU 603 9.359 9.886 3.655 635 HD13 LEU 603 3HD1 LEU 603 9.304 8.534 2.524 636 HD21 LEU 603 3HD2 LEU 603 11.017 10.256 5.019 637 HD22 LEU 603 1HD2 LEU 603 12.389 9.170 5.245 638 HD23 LEU 603 2HD2 LEU 603 10.874 8.865 6.095 639 H ARG 604 H ARG 604 11.954 5.161 3.680 640 HA ARG 604 HA ARG 604 13.258 6.263 1.477 641 HB2 ARG 604 1HB ARG 604 14.353 5.142 3.427 642 HB3 ARG 604 2HB ARG 604 13.860 3.593 2.756 643 HG2 ARG 604 1HG ARG 604 15.122 4.487 0.628 644 HG3 ARG 604 2HG ARG 604 15.949 5.487 1.824 645 HD2 ARG 604 1HD ARG 604 17.301 3.624 1.772 646 HD3 ARG 604 2HD ARG 604 16.218 3.233 3.107 647 HE ARG 604 HE ARG 604 15.210 2.246 0.643 648 HH11 ARG 604 1HH1 ARG 604 17.588 1.632 3.110 649 HH12 ARG 604 2HH1 ARG 604 17.638 -0.076 2.820 650 HH21 ARG 604 1HH2 ARG 604 15.266 -0.001 0.252 651 HH22 ARG 604 2HH2 ARG 604 16.318 -1.003 1.194 652 H SER 605 H SER 605 11.598 3.145 1.808 653 HA SER 605 HA SER 605 12.196 2.069 -0.682 654 HB2 SER 605 1HB SER 605 11.151 0.574 0.764 655 HB3 SER 605 2HB SER 605 9.896 1.728 1.215 656 HG SER 605 HG SER 605 10.150 0.501 -1.333 657 H LYS 606 H LYS 606 9.292 3.925 0.234 658 HA LYS 606 HA LYS 606 8.116 4.058 -2.278 659 HB2 LYS 606 1HB LYS 606 8.045 6.068 -0.022 660 HB3 LYS 606 2HB LYS 606 6.983 6.115 -1.422 661 HG2 LYS 606 1HG LYS 606 7.120 3.948 0.662 662 HG3 LYS 606 2HG LYS 606 5.825 5.126 0.436 663 HD2 LYS 606 1HD LYS 606 6.646 2.981 -1.523 664 HD3 LYS 606 2HD LYS 606 5.204 2.965 -0.505 665 HE2 LYS 606 1HE LYS 606 4.383 4.970 -1.638 666 HE3 LYS 606 2HE LYS 606 5.830 4.998 -2.646 667 HZ1 LYS 606 3HZ LYS 606 4.041 3.999 -3.857 668 HZ2 LYS 606 1HZ LYS 606 3.735 2.895 -2.612 669 HZ3 LYS 606 2HZ LYS 606 5.173 2.795 -3.496 670 H VAL 607 H VAL 607 10.100 6.592 -0.730 671 HA VAL 607 HA VAL 607 10.284 8.343 -2.845 672 HB VAL 607 HB VAL 607 12.457 7.697 -0.847 673 HG11 VAL 607 1HG1 VAL 607 12.683 10.352 -1.487 674 HG12 VAL 607 2HG1 VAL 607 13.693 9.054 -2.127 675 HG13 VAL 607 3HG1 VAL 607 12.293 9.616 -3.041 676 HG21 VAL 607 3HG2 VAL 607 10.516 9.980 -0.701 677 HG22 VAL 607 1HG2 VAL 607 10.134 8.399 -0.018 678 HG23 VAL 607 2HG2 VAL 607 11.527 9.303 0.576 679 H ASP 608 H ASP 608 12.547 5.697 -2.082 680 HA ASP 608 HA ASP 608 14.259 6.023 -4.250 681 HB2 ASP 608 1HB ASP 608 14.896 4.561 -2.466 682 HB3 ASP 608 2HB ASP 608 13.478 3.546 -2.710 683 H GLU 609 H GLU 609 11.533 3.734 -3.977 684 HA GLU 609 HA GLU 609 11.595 2.710 -6.537 685 HB2 GLU 609 1HB GLU 609 9.288 3.214 -4.667 686 HB3 GLU 609 2HB GLU 609 9.073 2.416 -6.219 687 HG2 GLU 609 1HG GLU 609 10.727 1.475 -3.893 688 HG3 GLU 609 2HG GLU 609 9.258 0.743 -4.536 689 H ALA 610 H ALA 610 9.665 5.484 -5.402 690 HA ALA 610 HA ALA 610 8.467 6.210 -7.770 691 HB1 ALA 610 3HB ALA 610 8.910 7.411 -5.225 692 HB2 ALA 610 1HB ALA 610 9.204 8.614 -6.480 693 HB3 ALA 610 2HB ALA 610 7.658 7.767 -6.415 694 H VAL 611 H VAL 611 11.495 7.625 -6.508 695 HA VAL 611 HA VAL 611 12.184 9.157 -8.688 696 HB VAL 611 HB VAL 611 14.088 7.628 -6.909 697 HG11 VAL 611 1HG1 VAL 611 14.517 9.388 -9.153 698 HG12 VAL 611 2HG1 VAL 611 15.225 10.053 -7.680 699 HG13 VAL 611 3HG1 VAL 611 15.683 8.441 -8.230 700 HG21 VAL 611 3HG2 VAL 611 13.638 10.494 -6.454 701 HG22 VAL 611 1HG2 VAL 611 12.253 9.459 -6.103 702 HG23 VAL 611 2HG2 VAL 611 13.796 9.171 -5.299 703 H ALA 612 H ALA 612 12.732 5.711 -8.171 704 HA ALA 612 HA ALA 612 14.399 5.249 -10.388 705 HB1 ALA 612 3HB ALA 612 13.555 3.730 -8.330 706 HB2 ALA 612 1HB ALA 612 12.557 3.079 -9.630 707 HB3 ALA 612 2HB ALA 612 14.314 3.080 -9.782 708 H VAL 613 H VAL 613 10.877 5.157 -10.034 709 HA VAL 613 HA VAL 613 10.283 4.179 -12.604 710 HB VAL 613 HB VAL 613 8.650 5.908 -10.745 711 HG11 VAL 613 1HG1 VAL 613 8.180 5.173 -13.501 712 HG12 VAL 613 2HG1 VAL 613 6.919 4.545 -12.438 713 HG13 VAL 613 3HG1 VAL 613 7.277 6.272 -12.459 714 HG21 VAL 613 3HG2 VAL 613 7.444 3.485 -10.834 715 HG22 VAL 613 1HG2 VAL 613 9.135 3.023 -11.031 716 HG23 VAL 613 2HG2 VAL 613 8.634 3.956 -9.621 717 H LEU 614 H LEU 614 10.664 7.473 -11.367 718 HA LEU 614 HA LEU 614 9.811 8.941 -13.535 719 HB2 LEU 614 1HB LEU 614 12.257 9.610 -11.915 720 HB3 LEU 614 2HB LEU 614 11.178 10.729 -12.746 721 HG LEU 614 HG LEU 614 10.660 9.180 -10.219 722 HD11 LEU 614 1HD1 LEU 614 11.764 11.169 -9.706 723 HD12 LEU 614 2HD1 LEU 614 10.059 11.564 -9.495 724 HD13 LEU 614 3HD1 LEU 614 10.909 12.077 -10.953 725 HD21 LEU 614 3HD2 LEU 614 8.731 10.542 -12.070 726 HD22 LEU 614 1HD2 LEU 614 8.403 10.381 -10.345 727 HD23 LEU 614 2HD2 LEU 614 8.622 8.940 -11.338 728 H GLN 615 H GLN 615 12.764 7.120 -13.148 729 HA GLN 615 HA GLN 615 14.361 8.196 -15.129 730 HB2 GLN 615 1HB GLN 615 15.068 6.419 -13.561 731 HB3 GLN 615 2HB GLN 615 14.071 5.267 -14.440 732 HG2 GLN 615 1HG GLN 615 15.429 5.601 -16.436 733 HG3 GLN 615 2HG GLN 615 16.423 6.769 -15.566 734 HE21 GLN 615 2HE2 GLN 615 18.260 5.989 -14.849 735 HE22 GLN 615 1HE2 GLN 615 18.568 4.353 -14.387 736 H ALA 616 H ALA 616 11.542 6.163 -15.421 737 HA ALA 616 HA ALA 616 11.902 5.340 -18.098 738 HB1 ALA 616 3HB ALA 616 10.332 4.181 -16.720 739 HB2 ALA 616 1HB ALA 616 9.407 5.656 -16.440 740 HB3 ALA 616 2HB ALA 616 9.440 4.927 -18.046 741 H HIS 617 H HIS 617 10.477 8.213 -16.653 742 HA HIS 617 HA HIS 617 9.749 9.230 -19.300 743 HB2 HIS 617 1HB HIS 617 8.038 9.424 -17.578 744 HB3 HIS 617 2HB HIS 617 9.153 10.298 -16.532 745 HD1 HIS 617 HD1 HIS 617 9.026 12.767 -16.669 746 HD2 HIS 617 HD2 HIS 617 7.482 10.943 -20.068 747 HE1 HIS 617 HE1 HIS 617 8.090 14.635 -18.068 748 H GLN 618 H GLN 618 11.040 10.859 -16.412 749 HA GLN 618 HA GLN 618 13.416 11.701 -17.813 750 HB2 GLN 618 1HB GLN 618 11.099 13.522 -17.394 751 HB3 GLN 618 2HB GLN 618 12.709 14.180 -17.133 752 HG2 GLN 618 1HG GLN 618 13.162 13.065 -19.480 753 HG3 GLN 618 2HG GLN 618 11.417 13.256 -19.637 754 HE21 GLN 618 2HE2 GLN 618 13.266 14.560 -21.266 755 HE22 GLN 618 1HE2 GLN 618 13.167 16.258 -20.963 756 H ALA 619 H ALA 619 15.022 12.446 -16.446 757 HA ALA 619 HA ALA 619 14.357 12.636 -13.589 758 HB1 ALA 619 3HB ALA 619 16.501 11.387 -13.124 759 HB2 ALA 619 1HB ALA 619 15.176 10.428 -13.785 760 HB3 ALA 619 2HB ALA 619 16.505 10.935 -14.829 761 H LYS 620 H LYS 620 14.528 14.948 -14.515 762 HA LYS 620 HA LYS 620 15.637 16.934 -14.664 763 HB2 LYS 620 1HB LYS 620 17.517 15.542 -12.748 764 HB3 LYS 620 2HB LYS 620 17.436 17.277 -13.020 765 HG2 LYS 620 1HG LYS 620 15.249 15.554 -11.872 766 HG3 LYS 620 2HG LYS 620 16.284 16.670 -10.978 767 HD2 LYS 620 1HD LYS 620 14.356 17.431 -13.173 768 HD3 LYS 620 2HD LYS 620 14.082 17.645 -11.442 769 HE2 LYS 620 1HE LYS 620 16.281 18.925 -13.064 770 HE3 LYS 620 2HE LYS 620 14.817 19.725 -12.494 771 HZ1 LYS 620 3HZ LYS 620 15.578 19.101 -10.193 772 HZ2 LYS 620 1HZ LYS 620 16.504 20.280 -10.977 773 HZ3 LYS 620 2HZ LYS 620 17.069 18.689 -10.876 774 H GLU 621 H GLU 621 16.332 14.856 -16.602 775 HA GLU 621 HA GLU 621 19.168 15.312 -17.109 776 HB2 GLU 621 1HB GLU 621 17.877 13.058 -17.380 777 HB3 GLU 621 2HB GLU 621 17.365 13.742 -18.917 778 HG2 GLU 621 1HG GLU 621 19.445 13.619 -19.830 779 HG3 GLU 621 2HG GLU 621 20.259 13.789 -18.276 780 H ALA 622 H ALA 622 18.895 17.600 -17.527 781 HA ALA 622 HA ALA 622 18.749 18.184 -20.287 782 HB1 ALA 622 3HB ALA 622 16.769 19.488 -20.444 783 HB2 ALA 622 1HB ALA 622 16.309 17.936 -19.742 784 HB3 ALA 622 2HB ALA 622 16.469 19.359 -18.711 785 H ALA 623 H ALA 623 19.763 20.080 -20.733 786 HA ALA 623 HA ALA 623 20.995 21.965 -20.405 787 HB1 ALA 623 3HB ALA 623 18.701 22.703 -19.540 788 HB2 ALA 623 1HB ALA 623 19.392 22.512 -17.929 789 HB3 ALA 623 2HB ALA 623 20.103 23.659 -19.064 Start of MODEL 13 1 H1 ALA 64 1H ALA 64 -2.449 -0.815 -1.141 2 HA ALA 64 HA ALA 64 -0.438 0.727 -2.650 3 HB1 ALA 64 3HB ALA 64 -0.648 0.220 0.147 4 HB2 ALA 64 1HB ALA 64 0.804 -0.568 -0.470 5 HB3 ALA 64 2HB ALA 64 0.565 1.161 -0.721 6 H PHE 65 H PHE 65 1.029 -0.357 -3.853 7 HA PHE 65 HA PHE 65 0.833 -3.296 -3.858 8 HB2 PHE 65 1HB PHE 65 1.761 -3.016 -6.249 9 HB3 PHE 65 2HB PHE 65 0.075 -2.597 -5.964 10 HD1 PHE 65 HD2 PHE 65 3.405 -0.919 -5.759 11 HD2 PHE 65 HD1 PHE 65 -0.662 -0.694 -6.992 12 HE1 PHE 65 HE2 PHE 65 3.813 1.325 -6.681 13 HE2 PHE 65 HE1 PHE 65 -0.261 1.551 -7.917 14 HZ PHE 65 HZ PHE 65 1.979 2.563 -7.761 15 H SER 66 H SER 66 2.913 -4.262 -4.948 16 HA SER 66 HA SER 66 5.196 -3.156 -3.461 17 HB2 SER 66 1HB SER 66 4.416 -5.506 -2.952 18 HB3 SER 66 2HB SER 66 4.930 -5.954 -4.578 19 HG SER 66 HG SER 66 7.032 -5.421 -4.033 20 H ARG 67 H ARG 67 4.305 -4.596 -6.579 21 HA ARG 67 HA ARG 67 6.768 -4.370 -7.858 22 HB2 ARG 67 1HB ARG 67 4.005 -4.116 -9.061 23 HB3 ARG 67 2HB ARG 67 5.484 -4.417 -9.963 24 HG2 ARG 67 1HG ARG 67 4.254 -6.237 -7.904 25 HG3 ARG 67 2HG ARG 67 4.238 -6.468 -9.653 26 HD2 ARG 67 1HD ARG 67 6.624 -6.507 -7.815 27 HD3 ARG 67 2HD ARG 67 5.957 -7.854 -8.737 28 HE ARG 67 HE ARG 67 6.643 -5.884 -10.565 29 HH11 ARG 67 1HH1 ARG 67 8.240 -7.911 -8.228 30 HH12 ARG 67 2HH1 ARG 67 9.735 -7.965 -9.103 31 HH21 ARG 67 1HH2 ARG 67 8.605 -5.947 -11.725 32 HH22 ARG 67 2HH2 ARG 67 9.942 -6.846 -11.091 33 H GLN 68 H GLN 68 6.864 -2.867 -9.962 34 HA GLN 68 HA GLN 68 7.468 -0.301 -9.072 35 HB2 GLN 68 1HB GLN 68 7.911 0.253 -11.324 36 HB3 GLN 68 2HB GLN 68 8.270 -1.463 -11.188 37 HG2 GLN 68 1HG GLN 68 5.665 -1.532 -11.931 38 HG3 GLN 68 2HG GLN 68 6.222 -0.079 -12.758 39 HE21 GLN 68 2HE2 GLN 68 5.367 -2.329 -14.121 40 HE22 GLN 68 1HE2 GLN 68 6.711 -3.034 -14.947 41 H LEU 69 H LEU 69 6.478 1.676 -10.415 42 HA LEU 69 HA LEU 69 3.548 1.536 -10.238 43 HB2 LEU 69 1HB LEU 69 3.599 3.839 -9.258 44 HB3 LEU 69 2HB LEU 69 4.181 2.556 -8.200 45 HG LEU 69 HG LEU 69 6.531 3.302 -9.077 46 HD11 LEU 69 1HD1 LEU 69 4.835 5.739 -9.588 47 HD12 LEU 69 2HD1 LEU 69 5.801 4.847 -10.762 48 HD13 LEU 69 3HD1 LEU 69 6.595 5.749 -9.472 49 HD21 LEU 69 3HD2 LEU 69 6.279 5.276 -7.292 50 HD22 LEU 69 1HD2 LEU 69 6.348 3.573 -6.836 51 HD23 LEU 69 2HD2 LEU 69 4.790 4.394 -6.948 52 H ASN 70 H ASN 70 2.771 3.940 -11.009 53 HA ASN 70 HA ASN 70 4.009 4.274 -13.659 54 HB2 ASN 70 1HB ASN 70 1.852 5.043 -14.457 55 HB3 ASN 70 2HB ASN 70 1.650 3.491 -13.651 56 HD21 ASN 70 2HD2 ASN 70 0.045 6.126 -14.127 57 HD22 ASN 70 1HD2 ASN 70 -0.718 6.373 -12.596 58 H VAL 71 H VAL 71 4.650 6.259 -14.348 59 HA VAL 71 HA VAL 71 4.838 8.341 -12.328 60 HB VAL 71 HB VAL 71 6.802 7.707 -13.739 61 HG11 VAL 71 1HG1 VAL 71 6.935 8.329 -16.026 62 HG12 VAL 71 2HG1 VAL 71 5.430 7.427 -15.834 63 HG13 VAL 71 3HG1 VAL 71 5.396 9.187 -15.952 64 HG21 VAL 71 3HG2 VAL 71 6.090 10.575 -14.250 65 HG22 VAL 71 1HG2 VAL 71 6.386 9.983 -12.615 66 HG23 VAL 71 2HG2 VAL 71 7.655 9.876 -13.835 67 H ASN 72 H ASN 72 2.685 7.508 -14.730 68 HA ASN 72 HA ASN 72 2.038 10.127 -15.699 69 HB2 ASN 72 1HB ASN 72 1.025 7.377 -16.085 70 HB3 ASN 72 2HB ASN 72 -0.168 8.657 -16.280 71 HD21 ASN 72 2HD2 ASN 72 2.799 7.295 -17.479 72 HD22 ASN 72 1HD2 ASN 72 2.800 8.123 -18.995 73 H ALA 73 H ALA 73 1.423 8.473 -12.831 74 HA ALA 73 HA ALA 73 -1.181 9.293 -12.189 75 HB1 ALA 73 3HB ALA 73 0.777 9.159 -9.984 76 HB2 ALA 73 1HB ALA 73 -0.795 8.378 -10.160 77 HB3 ALA 73 2HB ALA 73 0.617 7.712 -10.981 78 H LYS 74 H LYS 74 -1.950 11.283 -12.014 79 HA LYS 74 HA LYS 74 -0.505 13.631 -12.081 80 HB2 LYS 74 1HB LYS 74 -2.602 14.658 -11.021 81 HB3 LYS 74 2HB LYS 74 -2.800 13.803 -12.545 82 HG2 LYS 74 1HG LYS 74 -3.765 11.929 -11.479 83 HG3 LYS 74 2HG LYS 74 -3.291 12.507 -9.880 84 HD2 LYS 74 1HD LYS 74 -4.769 14.541 -10.395 85 HD3 LYS 74 2HD LYS 74 -5.434 13.558 -11.701 86 HE2 LYS 74 1HE LYS 74 -6.805 13.382 -9.696 87 HE3 LYS 74 2HE LYS 74 -6.059 11.833 -10.085 88 HZ1 LYS 74 3HZ LYS 74 -5.056 11.801 -8.123 89 HZ2 LYS 74 1HZ LYS 74 -5.946 13.170 -7.680 90 HZ3 LYS 74 2HZ LYS 74 -4.402 13.345 -8.347 91 HA PRO 75 HA PRO 75 1.188 14.333 -8.093 92 HB2 PRO 75 1HB PRO 75 0.926 17.024 -7.849 93 HB3 PRO 75 2HB PRO 75 2.094 16.268 -8.938 94 HG2 PRO 75 1HG PRO 75 -0.601 17.417 -9.553 95 HG3 PRO 75 2HG PRO 75 0.918 17.581 -10.454 96 HD2 PRO 75 1HD PRO 75 -1.031 15.850 -11.187 97 HD3 PRO 75 2HD PRO 75 0.692 15.518 -11.458 98 H PHE 76 H PHE 76 -0.945 17.059 -7.817 99 HA PHE 76 HA PHE 76 -3.047 15.827 -6.388 100 HB2 PHE 76 1HB PHE 76 -2.522 16.512 -4.119 101 HB3 PHE 76 2HB PHE 76 -1.238 15.473 -4.728 102 HD1 PHE 76 HD1 PHE 76 0.786 16.731 -5.819 103 HD2 PHE 76 HD2 PHE 76 -1.961 18.484 -3.080 104 HE1 PHE 76 HE1 PHE 76 2.449 18.456 -5.260 105 HE2 PHE 76 HE2 PHE 76 -0.303 20.213 -2.518 106 HZ PHE 76 HZ PHE 76 1.905 20.201 -3.609 107 H VAL 77 H VAL 77 -3.841 17.803 -4.681 108 HA VAL 77 HA VAL 77 -4.179 20.093 -6.503 109 HB VAL 77 HB VAL 77 -6.242 20.561 -5.091 110 HG11 VAL 77 1HG1 VAL 77 -7.550 19.394 -6.558 111 HG12 VAL 77 2HG1 VAL 77 -5.996 19.275 -7.385 112 HG13 VAL 77 3HG1 VAL 77 -6.588 17.923 -6.419 113 HG21 VAL 77 3HG2 VAL 77 -6.442 17.730 -4.355 114 HG22 VAL 77 1HG2 VAL 77 -5.233 18.639 -3.448 115 HG23 VAL 77 2HG2 VAL 77 -6.914 19.173 -3.457 116 HA PRO 78 HA PRO 78 -1.708 21.776 -2.996 117 HB2 PRO 78 1HB PRO 78 -0.280 23.486 -4.546 118 HB3 PRO 78 2HB PRO 78 0.175 21.794 -4.312 119 HG2 PRO 78 1HG PRO 78 -1.278 23.066 -6.600 120 HG3 PRO 78 2HG PRO 78 0.016 21.854 -6.631 121 HD2 PRO 78 1HD PRO 78 -2.593 21.208 -6.957 122 HD3 PRO 78 2HD PRO 78 -1.429 20.116 -6.180 123 H ASN 79 H ASN 79 -1.204 24.272 -2.680 124 HA ASN 79 HA ASN 79 -3.545 25.841 -3.515 125 HB2 ASN 79 1HB ASN 79 -3.681 24.856 -1.128 126 HB3 ASN 79 2HB ASN 79 -2.443 26.041 -0.722 127 HD21 ASN 79 2HD2 ASN 79 -3.001 28.125 -0.435 128 HD22 ASN 79 1HD2 ASN 79 -4.614 28.728 -0.574 129 H VAL 80 H VAL 80 -0.797 25.814 -4.473 130 HA VAL 80 HA VAL 80 -0.029 28.567 -3.748 131 HB VAL 80 HB VAL 80 2.300 28.009 -4.178 132 HG11 VAL 80 1HG1 VAL 80 1.636 27.789 -1.909 133 HG12 VAL 80 2HG1 VAL 80 0.892 26.218 -2.210 134 HG13 VAL 80 3HG1 VAL 80 2.645 26.392 -2.282 135 HG21 VAL 80 3HG2 VAL 80 2.887 25.547 -4.402 136 HG22 VAL 80 1HG2 VAL 80 1.191 25.288 -4.813 137 HG23 VAL 80 2HG2 VAL 80 2.195 26.325 -5.826 138 H HIS 81 H HIS 81 1.374 29.582 -5.507 139 HA HIS 81 HA HIS 81 -0.112 29.628 -7.921 140 HB2 HIS 81 1HB HIS 81 2.418 30.926 -6.974 141 HB3 HIS 81 2HB HIS 81 1.976 31.022 -8.676 142 HD1 HIS 81 HD1 HIS 81 0.510 31.878 -5.280 143 HD2 HIS 81 HD2 HIS 81 0.239 33.028 -9.263 144 HE1 HIS 81 HE1 HIS 81 -0.991 33.896 -5.297 145 H ALA 82 H ALA 82 2.892 28.088 -6.951 146 HA ALA 82 HA ALA 82 2.934 26.694 -9.545 147 HB1 ALA 82 3HB ALA 82 5.244 26.871 -9.738 148 HB2 ALA 82 1HB ALA 82 4.764 28.463 -9.149 149 HB3 ALA 82 2HB ALA 82 5.453 27.282 -8.035 150 H1 GLY 541 1H GLY 541 10.698 20.027 15.167 151 HA2 GLY 541 1HA GLY 541 9.300 22.528 14.797 152 HA3 GLY 541 2HA GLY 541 8.794 21.259 13.692 153 H GLN 542 H GLN 542 7.036 22.422 15.497 154 HA GLN 542 HA GLN 542 6.584 20.207 17.388 155 HB2 GLN 542 1HB GLN 542 5.370 21.889 18.804 156 HB3 GLN 542 2HB GLN 542 7.106 22.142 18.687 157 HG2 GLN 542 1HG GLN 542 6.885 24.037 17.408 158 HG3 GLN 542 2HG GLN 542 5.293 23.574 16.808 159 HE21 GLN 542 2HE2 GLN 542 4.871 25.856 17.392 160 HE22 GLN 542 1HE2 GLN 542 4.363 26.196 19.007 161 H GLU 543 H GLU 543 5.642 19.915 14.871 162 HA GLU 543 HA GLU 543 2.783 19.897 15.314 163 HB2 GLU 543 1HB GLU 543 3.297 22.117 14.240 164 HB3 GLU 543 2HB GLU 543 3.868 21.232 12.833 165 HG2 GLU 543 1HG GLU 543 1.711 21.759 12.240 166 HG3 GLU 543 2HG GLU 543 1.533 20.126 12.880 167 HA PRO 544 HA PRO 544 4.546 16.222 13.080 168 HB2 PRO 544 1HB PRO 544 3.392 14.381 14.709 169 HB3 PRO 544 2HB PRO 544 4.960 15.120 15.053 170 HG2 PRO 544 1HG PRO 544 2.262 15.804 16.154 171 HG3 PRO 544 2HG PRO 544 3.815 15.674 17.000 172 HD2 PRO 544 1HD PRO 544 2.746 18.053 16.274 173 HD3 PRO 544 2HD PRO 544 4.498 17.771 16.331 174 H LEU 545 H LEU 545 3.465 14.910 11.636 175 HA LEU 545 HA LEU 545 0.686 15.595 11.151 176 HB2 LEU 545 1HB LEU 545 2.564 15.413 9.399 177 HB3 LEU 545 2HB LEU 545 2.318 13.672 9.530 178 HG LEU 545 HG LEU 545 -0.021 13.972 8.816 179 HD11 LEU 545 1HD1 LEU 545 0.454 16.656 9.461 180 HD12 LEU 545 2HD1 LEU 545 -1.012 15.955 8.778 181 HD13 LEU 545 3HD1 LEU 545 0.231 16.609 7.712 182 HD21 LEU 545 3HD2 LEU 545 2.029 15.169 6.954 183 HD22 LEU 545 1HD2 LEU 545 0.463 14.512 6.477 184 HD23 LEU 545 2HD2 LEU 545 1.692 13.450 7.166 185 H THR 546 H THR 546 -1.022 14.151 11.108 186 HA THR 546 HA THR 546 -0.608 11.362 11.745 187 HB THR 546 HB THR 546 -2.446 12.741 13.642 188 HG1 THR 546 HG1 THR 546 -0.571 12.968 15.073 189 HG21 THR 546 3HG2 THR 546 -1.199 10.902 15.089 190 HG22 THR 546 1HG2 THR 546 -0.867 10.224 13.496 191 HG23 THR 546 2HG2 THR 546 -2.533 10.484 14.013 192 H ALA 547 H ALA 547 -2.754 10.202 11.923 193 HA ALA 547 HA ALA 547 -4.325 10.759 9.663 194 HB1 ALA 547 3HB ALA 547 -5.217 8.743 10.047 195 HB2 ALA 547 1HB ALA 547 -4.010 8.614 11.326 196 HB3 ALA 547 2HB ALA 547 -5.648 9.146 11.709 197 H SER 548 H SER 548 -4.558 11.820 12.955 198 HA SER 548 HA SER 548 -7.235 12.448 13.209 199 HB2 SER 548 1HB SER 548 -4.753 13.776 14.278 200 HB3 SER 548 2HB SER 548 -6.359 14.394 14.663 201 HG SER 548 HG SER 548 -5.063 12.331 15.755 202 H MET 549 H MET 549 -4.681 14.246 11.567 203 HA MET 549 HA MET 549 -6.139 16.590 11.044 204 HB2 MET 549 1HB MET 549 -3.739 15.295 9.809 205 HB3 MET 549 2HB MET 549 -4.474 16.683 9.019 206 HG2 MET 549 1HG MET 549 -4.288 17.734 11.419 207 HG3 MET 549 2HG MET 549 -3.027 16.517 11.607 208 HE1 MET 549 3HE MET 549 -1.692 20.199 11.038 209 HE2 MET 549 1HE MET 549 -2.460 19.118 12.200 210 HE3 MET 549 2HE MET 549 -0.813 18.799 11.655 211 H LEU 550 H LEU 550 -5.844 13.556 9.264 212 HA LEU 550 HA LEU 550 -7.685 14.543 7.218 213 HB2 LEU 550 1HB LEU 550 -5.858 12.184 7.428 214 HB3 LEU 550 2HB LEU 550 -7.180 12.183 6.262 215 HG LEU 550 HG LEU 550 -6.207 14.296 5.309 216 HD11 LEU 550 1HD1 LEU 550 -3.634 14.359 5.871 217 HD12 LEU 550 2HD1 LEU 550 -4.189 13.697 7.408 218 HD13 LEU 550 3HD1 LEU 550 -4.808 15.248 6.841 219 HD21 LEU 550 3HD2 LEU 550 -4.788 13.139 3.889 220 HD22 LEU 550 1HD2 LEU 550 -5.821 11.860 4.526 221 HD23 LEU 550 2HD2 LEU 550 -4.196 12.084 5.173 222 H ALA 551 H ALA 551 -8.536 13.958 9.971 223 HA ALA 551 HA ALA 551 -10.290 11.640 9.550 224 HB1 ALA 551 3HB ALA 551 -10.130 11.207 11.737 225 HB2 ALA 551 1HB ALA 551 -8.770 12.331 11.723 226 HB3 ALA 551 2HB ALA 551 -10.377 12.895 12.183 227 H SER 552 H SER 552 -10.391 15.008 10.697 228 HA SER 552 HA SER 552 -13.291 15.030 10.251 229 HB2 SER 552 1HB SER 552 -11.438 16.699 11.920 230 HB3 SER 552 2HB SER 552 -13.005 17.345 11.436 231 HG SER 552 HG SER 552 -14.017 15.781 12.576 232 H ALA 553 H ALA 553 -11.312 15.130 8.091 233 HA ALA 553 HA ALA 553 -12.043 17.751 6.959 234 HB1 ALA 553 3HB ALA 553 -9.937 18.197 6.375 235 HB2 ALA 553 1HB ALA 553 -9.477 16.917 7.498 236 HB3 ALA 553 2HB ALA 553 -9.665 16.559 5.781 237 HA PRO 554 HA PRO 554 -13.813 15.685 3.516 238 HB2 PRO 554 1HB PRO 554 -13.108 17.292 1.445 239 HB3 PRO 554 2HB PRO 554 -14.313 17.754 2.652 240 HG2 PRO 554 1HG PRO 554 -11.425 18.520 2.468 241 HG3 PRO 554 2HG PRO 554 -12.828 19.532 2.860 242 HD2 PRO 554 1HD PRO 554 -11.162 18.554 4.757 243 HD3 PRO 554 2HD PRO 554 -12.894 18.812 5.049 244 HA PRO 555 HA PRO 555 -10.980 13.077 1.394 245 HB2 PRO 555 1HB PRO 555 -12.167 12.743 -1.025 246 HB3 PRO 555 2HB PRO 555 -12.791 12.015 0.460 247 HG2 PRO 555 1HG PRO 555 -13.685 14.498 -0.952 248 HG3 PRO 555 2HG PRO 555 -14.664 13.212 -0.222 249 HD2 PRO 555 1HD PRO 555 -14.206 15.576 1.016 250 HD3 PRO 555 2HD PRO 555 -14.408 14.055 1.908 251 H GLN 556 H GLN 556 -11.574 16.229 0.267 252 HA GLN 556 HA GLN 556 -9.584 16.060 -1.864 253 HB2 GLN 556 1HB GLN 556 -11.200 18.456 -0.986 254 HB3 GLN 556 2HB GLN 556 -10.268 18.297 -2.468 255 HG2 GLN 556 1HG GLN 556 -11.790 16.439 -3.137 256 HG3 GLN 556 2HG GLN 556 -12.778 16.818 -1.727 257 HE21 GLN 556 2HE2 GLN 556 -11.849 17.758 -4.907 258 HE22 GLN 556 1HE2 GLN 556 -12.975 19.056 -5.087 259 H GLU 557 H GLU 557 -10.154 17.760 1.196 260 HA GLU 557 HA GLU 557 -7.797 19.279 1.211 261 HB2 GLU 557 1HB GLU 557 -9.646 18.299 3.361 262 HB3 GLU 557 2HB GLU 557 -8.163 19.142 3.785 263 HG2 GLU 557 1HG GLU 557 -9.946 20.399 1.777 264 HG3 GLU 557 2HG GLU 557 -10.457 20.408 3.464 265 H GLN 558 H GLN 558 -8.370 15.933 1.855 266 HA GLN 558 HA GLN 558 -6.236 15.283 3.508 267 HB2 GLN 558 1HB GLN 558 -7.360 13.626 1.242 268 HB3 GLN 558 2HB GLN 558 -6.409 13.019 2.591 269 HG2 GLN 558 1HG GLN 558 -8.445 14.316 3.865 270 HG3 GLN 558 2HG GLN 558 -9.247 13.672 2.433 271 HE21 GLN 558 2HE2 GLN 558 -9.629 12.912 5.187 272 HE22 GLN 558 1HE2 GLN 558 -9.243 11.232 5.298 273 H LYS 559 H LYS 559 -6.250 14.718 -0.013 274 HA LYS 559 HA LYS 559 -3.529 14.300 -0.301 275 HB2 LYS 559 1HB LYS 559 -3.883 14.974 -2.696 276 HB3 LYS 559 2HB LYS 559 -4.999 13.751 -2.103 277 HG2 LYS 559 1HG LYS 559 -6.657 15.585 -1.707 278 HG3 LYS 559 2HG LYS 559 -5.549 16.675 -2.544 279 HD2 LYS 559 1HD LYS 559 -7.198 15.898 -4.110 280 HD3 LYS 559 2HD LYS 559 -5.645 15.165 -4.516 281 HE2 LYS 559 1HE LYS 559 -6.285 13.076 -3.649 282 HE3 LYS 559 2HE LYS 559 -7.656 13.764 -2.781 283 HZ1 LYS 559 3HZ LYS 559 -8.700 14.240 -4.925 284 HZ2 LYS 559 1HZ LYS 559 -8.401 12.586 -4.732 285 HZ3 LYS 559 2HZ LYS 559 -7.400 13.515 -5.729 286 H GLN 560 H GLN 560 -5.327 17.313 -0.187 287 HA GLN 560 HA GLN 560 -3.290 19.028 -1.096 288 HB2 GLN 560 1HB GLN 560 -5.604 19.760 -0.954 289 HB3 GLN 560 2HB GLN 560 -5.586 19.566 0.794 290 HG2 GLN 560 1HG GLN 560 -4.015 21.363 1.035 291 HG3 GLN 560 2HG GLN 560 -3.840 21.495 -0.714 292 HE21 GLN 560 2HE2 GLN 560 -5.662 22.224 -1.939 293 HE22 GLN 560 1HE2 GLN 560 -6.843 23.252 -1.209 294 H MET 561 H MET 561 -4.417 18.672 2.271 295 HA MET 561 HA MET 561 -2.220 19.933 3.442 296 HB2 MET 561 1HB MET 561 -3.930 17.768 4.675 297 HB3 MET 561 2HB MET 561 -2.966 18.958 5.539 298 HG2 MET 561 1HG MET 561 -4.381 20.738 4.794 299 HG3 MET 561 2HG MET 561 -5.269 19.646 3.734 300 HE1 MET 561 3HE MET 561 -5.888 17.379 4.706 301 HE2 MET 561 1HE MET 561 -6.412 17.070 6.361 302 HE3 MET 561 2HE MET 561 -7.519 17.822 5.213 303 H LEU 562 H LEU 562 -2.882 16.429 3.278 304 HA LEU 562 HA LEU 562 -0.501 15.519 4.338 305 HB2 LEU 562 1HB LEU 562 -2.422 14.088 3.860 306 HB3 LEU 562 2HB LEU 562 -2.133 14.270 2.132 307 HG LEU 562 HG LEU 562 0.024 13.117 3.838 308 HD11 LEU 562 1HD1 LEU 562 -1.003 11.187 4.281 309 HD12 LEU 562 2HD1 LEU 562 -1.771 11.127 2.695 310 HD13 LEU 562 3HD1 LEU 562 -2.505 12.067 3.995 311 HD21 LEU 562 3HD2 LEU 562 0.921 12.902 1.818 312 HD22 LEU 562 1HD2 LEU 562 -0.572 13.434 1.044 313 HD23 LEU 562 2HD2 LEU 562 -0.341 11.729 1.434 314 H GLY 563 H GLY 563 -1.242 15.780 0.851 315 HA2 GLY 563 1HA GLY 563 1.284 15.202 -0.124 316 HA3 GLY 563 2HA GLY 563 0.118 16.228 -0.945 317 H GLU 564 H GLU 564 -0.038 18.403 0.694 318 HA GLU 564 HA GLU 564 2.129 19.950 -0.074 319 HB2 GLU 564 1HB GLU 564 -0.018 20.276 1.982 320 HB3 GLU 564 2HB GLU 564 1.307 21.431 1.943 321 HG2 GLU 564 1HG GLU 564 -0.140 20.810 -0.582 322 HG3 GLU 564 2HG GLU 564 -0.900 21.863 0.610 323 H ARG 565 H ARG 565 1.532 18.339 3.029 324 HA ARG 565 HA ARG 565 3.952 19.279 4.224 325 HB2 ARG 565 1HB ARG 565 1.813 17.336 4.968 326 HB3 ARG 565 2HB ARG 565 3.351 17.248 5.816 327 HG2 ARG 565 1HG ARG 565 2.198 19.941 5.601 328 HG3 ARG 565 2HG ARG 565 1.275 18.795 6.575 329 HD2 ARG 565 1HD ARG 565 3.202 18.345 7.952 330 HD3 ARG 565 2HD ARG 565 4.217 19.353 6.920 331 HE ARG 565 HE ARG 565 2.476 20.234 9.009 332 HH11 ARG 565 1HH1 ARG 565 3.913 21.128 5.966 333 HH12 ARG 565 2HH1 ARG 565 3.823 22.831 6.276 334 HH21 ARG 565 1HH2 ARG 565 2.353 22.473 9.428 335 HH22 ARG 565 2HH2 ARG 565 2.937 23.595 8.245 336 H LEU 566 H LEU 566 3.068 16.567 2.254 337 HA LEU 566 HA LEU 566 5.341 14.951 2.909 338 HB2 LEU 566 1HB LEU 566 2.985 14.747 1.260 339 HB3 LEU 566 2HB LEU 566 4.411 14.198 0.381 340 HG LEU 566 HG LEU 566 4.879 12.664 2.326 341 HD11 LEU 566 1HD1 LEU 566 2.260 12.385 3.301 342 HD12 LEU 566 2HD1 LEU 566 2.655 14.100 3.410 343 HD13 LEU 566 3HD1 LEU 566 3.696 12.905 4.183 344 HD21 LEU 566 3HD2 LEU 566 4.075 11.434 0.604 345 HD22 LEU 566 1HD2 LEU 566 2.654 12.457 0.391 346 HD23 LEU 566 2HD2 LEU 566 2.692 11.259 1.685 347 H PHE 567 H PHE 567 4.674 17.514 0.671 348 HA PHE 567 HA PHE 567 6.509 17.130 -1.332 349 HB2 PHE 567 1HB PHE 567 4.945 19.266 -0.407 350 HB3 PHE 567 2HB PHE 567 6.592 19.886 -0.457 351 HD1 PHE 567 HD1 PHE 567 7.808 18.722 -2.736 352 HD2 PHE 567 HD2 PHE 567 3.771 19.976 -2.241 353 HE1 PHE 567 HE1 PHE 567 7.614 19.045 -5.167 354 HE2 PHE 567 HE2 PHE 567 3.570 20.301 -4.671 355 HZ PHE 567 HZ PHE 567 5.493 19.834 -6.138 356 HA PRO 568 HA PRO 568 9.963 19.213 1.329 357 HB2 PRO 568 1HB PRO 568 9.443 19.592 3.966 358 HB3 PRO 568 2HB PRO 568 9.066 20.798 2.729 359 HG2 PRO 568 1HG PRO 568 7.261 18.804 4.043 360 HG3 PRO 568 2HG PRO 568 6.960 20.512 3.672 361 HD2 PRO 568 1HD PRO 568 6.009 18.497 2.133 362 HD3 PRO 568 2HD PRO 568 6.469 20.074 1.462 363 H LEU 569 H LEU 569 7.926 16.954 3.163 364 HA LEU 569 HA LEU 569 9.848 15.675 4.671 365 HB2 LEU 569 1HB LEU 569 7.395 15.309 4.797 366 HB3 LEU 569 2HB LEU 569 7.501 14.353 3.320 367 HG LEU 569 HG LEU 569 7.360 13.095 5.531 368 HD11 LEU 569 1HD1 LEU 569 8.707 12.559 3.129 369 HD12 LEU 569 2HD1 LEU 569 8.090 11.400 4.305 370 HD13 LEU 569 3HD1 LEU 569 9.753 11.975 4.423 371 HD21 LEU 569 3HD2 LEU 569 10.300 13.656 5.707 372 HD22 LEU 569 1HD2 LEU 569 9.235 12.922 6.906 373 HD23 LEU 569 2HD2 LEU 569 9.122 14.649 6.566 374 H ILE 570 H ILE 570 8.947 15.106 1.304 375 HA ILE 570 HA ILE 570 10.696 12.861 0.981 376 HB ILE 570 HB ILE 570 9.226 14.586 -1.005 377 HG12 ILE 570 1HG1 ILE 570 8.796 11.656 -0.607 378 HG13 ILE 570 2HG1 ILE 570 8.164 12.769 0.601 379 HG21 ILE 570 1HG2 ILE 570 11.202 13.868 -2.133 380 HG22 ILE 570 2HG2 ILE 570 11.029 12.229 -1.508 381 HG23 ILE 570 3HG2 ILE 570 9.872 12.849 -2.685 382 HD11 ILE 570 3HD1 ILE 570 7.482 13.686 -2.025 383 HD12 ILE 570 1HD1 ILE 570 6.983 12.008 -1.812 384 HD13 ILE 570 2HD1 ILE 570 6.429 13.244 -0.681 385 H GLN 571 H GLN 571 10.931 16.320 0.469 386 HA GLN 571 HA GLN 571 13.213 16.409 -1.134 387 HB2 GLN 571 1HB GLN 571 12.190 18.334 0.954 388 HB3 GLN 571 2HB GLN 571 13.557 18.688 -0.095 389 HG2 GLN 571 1HG GLN 571 12.214 18.703 -2.020 390 HG3 GLN 571 2HG GLN 571 10.867 17.933 -1.183 391 HE21 GLN 571 2HE2 GLN 571 9.781 19.819 -2.235 392 HE22 GLN 571 1HE2 GLN 571 9.701 21.290 -1.332 393 H ALA 572 H ALA 572 12.849 15.517 2.152 394 HA ALA 572 HA ALA 572 15.325 16.194 3.237 395 HB1 ALA 572 3HB ALA 572 13.731 13.709 3.843 396 HB2 ALA 572 1HB ALA 572 14.923 14.486 4.885 397 HB3 ALA 572 2HB ALA 572 13.404 15.304 4.519 398 H MET 573 H MET 573 14.421 13.606 1.067 399 HA MET 573 HA MET 573 17.232 12.719 1.034 400 HB2 MET 573 1HB MET 573 16.353 10.496 0.294 401 HB3 MET 573 2HB MET 573 15.907 10.937 1.937 402 HG2 MET 573 1HG MET 573 13.820 11.906 0.418 403 HG3 MET 573 2HG MET 573 14.234 10.381 -0.361 404 HE1 MET 573 3HE MET 573 12.006 11.166 3.409 405 HE2 MET 573 1HE MET 573 12.606 12.266 2.168 406 HE3 MET 573 2HE MET 573 11.301 11.141 1.792 407 H HIS 574 H HIS 574 14.448 13.703 -0.784 408 HA HIS 574 HA HIS 574 16.101 13.775 -3.205 409 HB2 HIS 574 1HB HIS 574 13.570 12.296 -2.813 410 HB3 HIS 574 2HB HIS 574 13.681 13.236 -4.299 411 HD1 HIS 574 HD1 HIS 574 15.197 10.291 -2.549 412 HD2 HIS 574 HD2 HIS 574 15.467 12.254 -6.201 413 HE1 HIS 574 HE1 HIS 574 16.531 8.764 -4.036 414 HA PRO 575 HA PRO 575 13.952 17.800 -2.322 415 HB2 PRO 575 1HB PRO 575 16.163 19.332 -2.687 416 HB3 PRO 575 2HB PRO 575 15.752 18.593 -1.135 417 HG2 PRO 575 1HG PRO 575 17.697 17.671 -3.216 418 HG3 PRO 575 2HG PRO 575 17.880 17.712 -1.453 419 HD2 PRO 575 1HD PRO 575 17.271 15.445 -2.803 420 HD3 PRO 575 2HD PRO 575 16.684 15.763 -1.158 421 H THR 576 H THR 576 15.530 16.292 -4.900 422 HA THR 576 HA THR 576 15.061 18.495 -6.764 423 HB THR 576 HB THR 576 16.051 16.738 -8.420 424 HG1 THR 576 HG1 THR 576 17.216 15.741 -6.039 425 HG21 THR 576 3HG2 THR 576 17.472 18.493 -8.145 426 HG22 THR 576 1HG2 THR 576 18.407 17.280 -7.270 427 HG23 THR 576 2HG2 THR 576 17.395 18.421 -6.384 428 H LEU 577 H LEU 577 14.342 15.001 -6.609 429 HA LEU 577 HA LEU 577 12.151 15.364 -8.490 430 HB2 LEU 577 1HB LEU 577 13.307 12.903 -7.191 431 HB3 LEU 577 2HB LEU 577 11.964 12.886 -8.332 432 HG LEU 577 HG LEU 577 13.854 12.268 -9.579 433 HD11 LEU 577 1HD1 LEU 577 13.670 13.724 -11.290 434 HD12 LEU 577 2HD1 LEU 577 14.009 15.128 -10.278 435 HD13 LEU 577 3HD1 LEU 577 12.397 14.412 -10.281 436 HD21 LEU 577 3HD2 LEU 577 15.299 13.619 -7.658 437 HD22 LEU 577 1HD2 LEU 577 15.568 14.571 -9.119 438 HD23 LEU 577 2HD2 LEU 577 15.954 12.850 -9.104 439 H ALA 578 H ALA 578 12.311 16.123 -5.461 440 HA ALA 578 HA ALA 578 10.536 14.679 -3.943 441 HB1 ALA 578 3HB ALA 578 10.166 17.569 -3.681 442 HB2 ALA 578 1HB ALA 578 10.687 16.377 -2.491 443 HB3 ALA 578 2HB ALA 578 11.850 17.048 -3.636 444 H GLY 579 H GLY 579 9.850 16.885 -6.578 445 HA2 GLY 579 1HA GLY 579 7.092 17.239 -6.114 446 HA3 GLY 579 2HA GLY 579 7.900 17.421 -7.664 447 H LYS 580 H LYS 580 8.379 15.377 -8.845 448 HA LYS 580 HA LYS 580 6.114 13.942 -9.414 449 HB2 LYS 580 1HB LYS 580 8.921 12.847 -9.634 450 HB3 LYS 580 2HB LYS 580 7.521 12.361 -10.581 451 HG2 LYS 580 1HG LYS 580 7.746 15.115 -10.966 452 HG3 LYS 580 2HG LYS 580 9.396 14.491 -11.041 453 HD2 LYS 580 1HD LYS 580 7.464 12.843 -12.483 454 HD3 LYS 580 2HD LYS 580 7.582 14.491 -13.106 455 HE2 LYS 580 1HE LYS 580 10.162 13.238 -12.511 456 HE3 LYS 580 2HE LYS 580 9.241 12.427 -13.776 457 HZ1 LYS 580 3HZ LYS 580 9.430 15.334 -13.926 458 HZ2 LYS 580 1HZ LYS 580 9.424 14.184 -15.167 459 HZ3 LYS 580 2HZ LYS 580 10.835 14.458 -14.275 460 H ILE 581 H ILE 581 8.659 13.117 -7.098 461 HA ILE 581 HA ILE 581 7.833 10.564 -6.394 462 HB ILE 581 HB ILE 581 9.099 12.685 -4.659 463 HG12 ILE 581 1HG1 ILE 581 10.437 10.267 -5.845 464 HG13 ILE 581 2HG1 ILE 581 10.267 11.753 -6.774 465 HG21 ILE 581 1HG2 ILE 581 9.781 10.787 -3.211 466 HG22 ILE 581 2HG2 ILE 581 8.042 11.076 -3.223 467 HG23 ILE 581 3HG2 ILE 581 8.720 9.739 -4.152 468 HD11 ILE 581 3HD1 ILE 581 11.433 12.933 -4.891 469 HD12 ILE 581 1HD1 ILE 581 11.779 11.342 -4.213 470 HD13 ILE 581 2HD1 ILE 581 12.416 11.783 -5.798 471 H THR 582 H THR 582 7.064 13.577 -4.640 472 HA THR 582 HA THR 582 5.222 12.492 -2.865 473 HB THR 582 HB THR 582 6.240 14.974 -3.207 474 HG1 THR 582 HG1 THR 582 3.834 14.345 -1.808 475 HG21 THR 582 3HG2 THR 582 4.517 16.542 -3.766 476 HG22 THR 582 1HG2 THR 582 3.322 15.255 -3.919 477 HG23 THR 582 2HG2 THR 582 4.635 15.382 -5.089 478 H GLY 583 H GLY 583 4.827 13.492 -6.198 479 HA2 GLY 583 1HA GLY 583 2.014 13.613 -6.274 480 HA3 GLY 583 2HA GLY 583 3.062 13.315 -7.654 481 H MET 584 H MET 584 4.130 10.968 -7.403 482 HA MET 584 HA MET 584 2.012 9.149 -7.810 483 HB2 MET 584 1HB MET 584 4.914 8.497 -7.272 484 HB3 MET 584 2HB MET 584 3.733 7.460 -8.062 485 HG2 MET 584 1HG MET 584 3.693 8.777 -9.991 486 HG3 MET 584 2HG MET 584 4.457 10.142 -9.179 487 HE1 MET 584 3HE MET 584 7.197 10.377 -8.927 488 HE2 MET 584 1HE MET 584 6.724 9.240 -7.664 489 HE3 MET 584 2HE MET 584 8.110 8.885 -8.696 490 H LEU 585 H LEU 585 4.215 9.667 -5.089 491 HA LEU 585 HA LEU 585 3.417 7.475 -3.533 492 HB2 LEU 585 1HB LEU 585 4.789 10.052 -3.036 493 HB3 LEU 585 2HB LEU 585 4.113 9.222 -1.636 494 HG LEU 585 HG LEU 585 5.471 7.237 -2.193 495 HD11 LEU 585 1HD1 LEU 585 6.880 8.967 -4.205 496 HD12 LEU 585 2HD1 LEU 585 5.609 7.830 -4.651 497 HD13 LEU 585 3HD1 LEU 585 7.093 7.243 -3.900 498 HD21 LEU 585 3HD2 LEU 585 6.380 8.697 -0.565 499 HD22 LEU 585 1HD2 LEU 585 6.881 9.865 -1.789 500 HD23 LEU 585 2HD2 LEU 585 7.697 8.306 -1.673 501 H LEU 586 H LEU 586 1.987 10.617 -4.027 502 HA LEU 586 HA LEU 586 0.137 10.346 -1.823 503 HB2 LEU 586 1HB LEU 586 0.768 12.556 -2.264 504 HB3 LEU 586 2HB LEU 586 0.539 12.367 -4.001 505 HG LEU 586 HG LEU 586 -1.858 12.123 -2.264 506 HD11 LEU 586 1HD1 LEU 586 -1.352 14.058 -1.229 507 HD12 LEU 586 2HD1 LEU 586 -1.897 14.771 -2.747 508 HD13 LEU 586 3HD1 LEU 586 -0.174 14.533 -2.454 509 HD21 LEU 586 3HD2 LEU 586 -2.738 12.101 -4.306 510 HD22 LEU 586 1HD2 LEU 586 -1.200 12.556 -5.040 511 HD23 LEU 586 2HD2 LEU 586 -2.294 13.804 -4.443 512 H GLU 587 H GLU 587 0.282 9.403 -5.105 513 HA GLU 587 HA GLU 587 -2.548 9.331 -5.578 514 HB2 GLU 587 1HB GLU 587 -0.429 9.334 -7.232 515 HB3 GLU 587 2HB GLU 587 -0.736 7.604 -7.170 516 HG2 GLU 587 1HG GLU 587 -3.163 9.136 -7.578 517 HG3 GLU 587 2HG GLU 587 -1.959 9.430 -8.831 518 H ILE 588 H ILE 588 -0.081 6.796 -5.122 519 HA ILE 588 HA ILE 588 -1.430 4.509 -5.165 520 HB ILE 588 HB ILE 588 -0.169 4.028 -2.830 521 HG12 ILE 588 1HG1 ILE 588 1.445 6.258 -4.070 522 HG13 ILE 588 2HG1 ILE 588 0.372 6.510 -2.698 523 HG21 ILE 588 1HG2 ILE 588 1.364 2.946 -4.109 524 HG22 ILE 588 2HG2 ILE 588 0.186 3.311 -5.368 525 HG23 ILE 588 3HG2 ILE 588 1.615 4.327 -5.176 526 HD11 ILE 588 3HD1 ILE 588 1.780 4.499 -1.710 527 HD12 ILE 588 1HD1 ILE 588 2.980 5.121 -2.842 528 HD13 ILE 588 2HD1 ILE 588 2.318 6.174 -1.591 529 H ASP 589 H ASP 589 -1.321 6.416 -2.148 530 HA ASP 589 HA ASP 589 -4.030 6.417 -1.602 531 HB2 ASP 589 1HB ASP 589 -2.876 3.825 -1.217 532 HB3 ASP 589 2HB ASP 589 -3.347 4.474 0.352 533 H ASN 590 H ASN 590 -3.830 8.307 -0.561 534 HA ASN 590 HA ASN 590 -1.750 9.179 1.025 535 HB2 ASN 590 1HB ASN 590 -4.661 9.900 0.910 536 HB3 ASN 590 2HB ASN 590 -3.619 10.636 2.125 537 HD21 ASN 590 2HD2 ASN 590 -5.028 11.768 -0.211 538 HD22 ASN 590 1HD2 ASN 590 -3.808 12.571 -1.134 539 H SER 591 H SER 591 -4.661 7.413 1.990 540 HA SER 591 HA SER 591 -4.369 7.511 4.746 541 HB2 SER 591 1HB SER 591 -5.867 5.926 2.838 542 HB3 SER 591 2HB SER 591 -5.336 4.937 4.199 543 HG SER 591 HG SER 591 -7.413 6.166 4.372 544 H GLU 592 H GLU 592 -2.810 5.412 2.390 545 HA GLU 592 HA GLU 592 -1.605 3.669 4.285 546 HB2 GLU 592 1HB GLU 592 -1.949 3.087 1.898 547 HB3 GLU 592 2HB GLU 592 -0.735 4.278 1.454 548 HG2 GLU 592 1HG GLU 592 0.118 1.967 1.471 549 HG3 GLU 592 2HG GLU 592 0.981 3.038 2.575 550 H LEU 593 H LEU 593 -0.683 6.719 2.839 551 HA LEU 593 HA LEU 593 2.044 6.637 3.677 552 HB2 LEU 593 1HB LEU 593 0.622 9.210 3.210 553 HB3 LEU 593 2HB LEU 593 2.254 8.728 2.752 554 HG LEU 593 HG LEU 593 -0.304 7.867 1.403 555 HD11 LEU 593 1HD1 LEU 593 1.753 9.310 -0.100 556 HD12 LEU 593 2HD1 LEU 593 0.971 10.257 1.165 557 HD13 LEU 593 3HD1 LEU 593 -0.001 9.501 -0.097 558 HD21 LEU 593 3HD2 LEU 593 1.552 6.164 1.459 559 HD22 LEU 593 1HD2 LEU 593 2.524 7.311 0.537 560 HD23 LEU 593 2HD2 LEU 593 1.030 6.670 -0.148 561 H LEU 594 H LEU 594 -0.949 7.817 5.069 562 HA LEU 594 HA LEU 594 0.142 9.375 7.139 563 HB2 LEU 594 1HB LEU 594 -2.467 8.080 6.594 564 HB3 LEU 594 2HB LEU 594 -2.140 8.565 8.256 565 HG LEU 594 HG LEU 594 -2.136 10.392 5.854 566 HD11 LEU 594 1HD1 LEU 594 -4.076 11.281 7.531 567 HD12 LEU 594 2HD1 LEU 594 -4.213 9.536 7.738 568 HD13 LEU 594 3HD1 LEU 594 -4.356 10.247 6.131 569 HD21 LEU 594 3HD2 LEU 594 -2.304 11.687 8.409 570 HD22 LEU 594 1HD2 LEU 594 -1.131 11.919 7.113 571 HD23 LEU 594 2HD2 LEU 594 -0.860 10.677 8.336 572 H HIS 595 H HIS 595 0.104 6.009 6.659 573 HA HIS 595 HA HIS 595 0.832 5.564 9.481 574 HB2 HIS 595 1HB HIS 595 -1.269 4.400 8.234 575 HB3 HIS 595 2HB HIS 595 -0.005 3.232 7.862 576 HD1 HIS 595 HD1 HIS 595 0.603 1.612 9.666 577 HD2 HIS 595 HD2 HIS 595 -1.654 4.796 11.090 578 HE1 HIS 595 HE1 HIS 595 0.058 1.035 12.052 579 H MET 596 H MET 596 1.845 5.458 6.241 580 HA MET 596 HA MET 596 3.949 3.506 6.701 581 HB2 MET 596 1HB MET 596 2.924 3.410 4.543 582 HB3 MET 596 2HB MET 596 3.150 5.136 4.291 583 HG2 MET 596 1HG MET 596 5.635 3.693 4.786 584 HG3 MET 596 2HG MET 596 4.775 3.156 3.345 585 HE1 MET 596 3HE MET 596 3.555 6.494 2.376 586 HE2 MET 596 1HE MET 596 4.578 5.982 1.032 587 HE3 MET 596 2HE MET 596 3.594 4.797 1.892 588 H LEU 597 H LEU 597 3.486 6.883 6.914 589 HA LEU 597 HA LEU 597 6.146 7.733 6.392 590 HB2 LEU 597 1HB LEU 597 5.474 9.841 7.114 591 HB3 LEU 597 2HB LEU 597 4.012 9.130 6.432 592 HG LEU 597 HG LEU 597 3.331 10.251 8.384 593 HD11 LEU 597 1HD1 LEU 597 2.459 7.940 8.099 594 HD12 LEU 597 2HD1 LEU 597 2.454 8.507 9.768 595 HD13 LEU 597 3HD1 LEU 597 3.697 7.382 9.224 596 HD21 LEU 597 3HD2 LEU 597 5.104 8.847 10.270 597 HD22 LEU 597 1HD2 LEU 597 4.534 10.516 10.270 598 HD23 LEU 597 2HD2 LEU 597 5.882 10.044 9.234 599 H GLU 598 H GLU 598 4.893 5.890 8.859 600 HA GLU 598 HA GLU 598 6.697 6.904 10.915 601 HB2 GLU 598 1HB GLU 598 4.750 4.595 11.045 602 HB3 GLU 598 2HB GLU 598 5.607 5.313 12.402 603 HG2 GLU 598 1HG GLU 598 4.401 7.500 11.571 604 HG3 GLU 598 2HG GLU 598 3.278 6.336 10.871 605 H SER 599 H SER 599 6.691 4.626 8.425 606 HA SER 599 HA SER 599 8.678 2.918 9.735 607 HB2 SER 599 1HB SER 599 8.302 1.896 7.195 608 HB3 SER 599 2HB SER 599 7.475 1.349 8.653 609 HG SER 599 HG SER 599 6.549 3.402 6.923 610 HA PRO 600 HA PRO 600 11.894 5.212 7.706 611 HB2 PRO 600 1HB PRO 600 13.936 3.588 8.454 612 HB3 PRO 600 2HB PRO 600 13.174 4.740 9.555 613 HG2 PRO 600 1HG PRO 600 12.716 1.794 9.282 614 HG3 PRO 600 2HG PRO 600 12.869 2.771 10.754 615 HD2 PRO 600 1HD PRO 600 10.473 1.973 9.776 616 HD3 PRO 600 2HD PRO 600 10.688 3.509 10.641 617 H GLU 601 H GLU 601 11.942 1.649 7.492 618 HA GLU 601 HA GLU 601 13.408 1.574 5.069 619 HB2 GLU 601 1HB GLU 601 12.933 -0.286 6.866 620 HB3 GLU 601 2HB GLU 601 11.540 -0.629 5.850 621 HG2 GLU 601 1HG GLU 601 13.166 -0.795 3.917 622 HG3 GLU 601 2HG GLU 601 14.447 -0.791 5.128 623 H SER 602 H SER 602 10.128 2.218 5.772 624 HA SER 602 HA SER 602 9.121 1.428 3.179 625 HB2 SER 602 1HB SER 602 7.822 2.953 5.448 626 HB3 SER 602 2HB SER 602 6.990 2.435 3.982 627 HG SER 602 HG SER 602 7.413 0.291 4.559 628 H LEU 603 H LEU 603 9.500 4.512 4.925 629 HA LEU 603 HA LEU 603 8.719 6.248 2.934 630 HB2 LEU 603 1HB LEU 603 9.107 7.237 4.985 631 HB3 LEU 603 2HB LEU 603 10.673 6.454 5.181 632 HG LEU 603 HG LEU 603 11.662 7.978 3.566 633 HD11 LEU 603 1HD1 LEU 603 9.603 9.931 3.343 634 HD12 LEU 603 2HD1 LEU 603 8.980 8.381 2.779 635 HD13 LEU 603 3HD1 LEU 603 10.444 9.056 2.064 636 HD21 LEU 603 3HD2 LEU 603 12.023 9.043 5.507 637 HD22 LEU 603 1HD2 LEU 603 10.346 8.877 6.027 638 HD23 LEU 603 2HD2 LEU 603 10.802 10.173 4.922 639 H ARG 604 H ARG 604 12.113 5.401 3.650 640 HA ARG 604 HA ARG 604 13.258 6.580 1.421 641 HB2 ARG 604 1HB ARG 604 14.349 5.454 3.495 642 HB3 ARG 604 2HB ARG 604 14.312 3.992 2.518 643 HG2 ARG 604 1HG ARG 604 15.598 5.192 0.768 644 HG3 ARG 604 2HG ARG 604 15.727 6.567 1.867 645 HD2 ARG 604 1HD ARG 604 17.164 5.474 3.284 646 HD3 ARG 604 2HD ARG 604 16.559 3.879 2.839 647 HE ARG 604 HE ARG 604 18.718 5.297 1.623 648 HH11 ARG 604 1HH1 ARG 604 16.170 3.002 1.022 649 HH12 ARG 604 2HH1 ARG 604 16.981 2.254 -0.313 650 HH21 ARG 604 1HH2 ARG 604 19.796 4.319 -0.133 651 HH22 ARG 604 2HH2 ARG 604 19.044 3.003 -0.969 652 H SER 605 H SER 605 11.870 3.351 1.780 653 HA SER 605 HA SER 605 12.662 2.292 -0.687 654 HB2 SER 605 1HB SER 605 11.779 0.795 0.945 655 HB3 SER 605 2HB SER 605 10.278 1.712 1.075 656 HG SER 605 HG SER 605 10.065 -0.189 -0.210 657 H LYS 606 H LYS 606 9.590 3.862 0.207 658 HA LYS 606 HA LYS 606 8.364 3.788 -2.281 659 HB2 LYS 606 1HB LYS 606 8.155 5.854 -0.086 660 HB3 LYS 606 2HB LYS 606 7.084 5.795 -1.480 661 HG2 LYS 606 1HG LYS 606 7.408 3.629 0.588 662 HG3 LYS 606 2HG LYS 606 6.063 4.766 0.474 663 HD2 LYS 606 1HD LYS 606 6.840 2.715 -1.600 664 HD3 LYS 606 2HD LYS 606 5.467 2.608 -0.496 665 HE2 LYS 606 1HE LYS 606 4.533 4.654 -1.503 666 HE3 LYS 606 2HE LYS 606 5.884 4.694 -2.636 667 HZ1 LYS 606 3HZ LYS 606 5.099 2.330 -3.224 668 HZ2 LYS 606 1HZ LYS 606 4.232 3.649 -3.833 669 HZ3 LYS 606 2HZ LYS 606 3.641 2.790 -2.501 670 H VAL 607 H VAL 607 10.218 6.498 -0.883 671 HA VAL 607 HA VAL 607 10.180 8.202 -3.052 672 HB VAL 607 HB VAL 607 12.460 7.780 -1.116 673 HG11 VAL 607 1HG1 VAL 607 13.569 9.211 -2.416 674 HG12 VAL 607 2HG1 VAL 607 12.137 9.554 -3.388 675 HG13 VAL 607 3HG1 VAL 607 12.418 10.437 -1.887 676 HG21 VAL 607 3HG2 VAL 607 10.588 8.321 0.179 677 HG22 VAL 607 1HG2 VAL 607 11.397 9.867 -0.077 678 HG23 VAL 607 2HG2 VAL 607 9.969 9.452 -1.024 679 H ASP 608 H ASP 608 12.461 5.574 -2.371 680 HA ASP 608 HA ASP 608 14.191 5.990 -4.527 681 HB2 ASP 608 1HB ASP 608 14.910 4.497 -2.838 682 HB3 ASP 608 2HB ASP 608 13.451 3.520 -2.968 683 H GLU 609 H GLU 609 11.490 3.668 -4.290 684 HA GLU 609 HA GLU 609 11.549 2.701 -6.873 685 HB2 GLU 609 1HB GLU 609 9.436 2.984 -4.802 686 HB3 GLU 609 2HB GLU 609 8.908 2.627 -6.441 687 HG2 GLU 609 1HG GLU 609 9.156 0.509 -5.711 688 HG3 GLU 609 2HG GLU 609 10.818 0.789 -6.228 689 H ALA 610 H ALA 610 9.704 5.489 -5.653 690 HA ALA 610 HA ALA 610 8.437 6.243 -7.992 691 HB1 ALA 610 3HB ALA 610 7.664 7.808 -6.625 692 HB2 ALA 610 1HB ALA 610 8.889 7.376 -5.432 693 HB3 ALA 610 2HB ALA 610 9.233 8.611 -6.643 694 H VAL 611 H VAL 611 11.496 7.612 -6.757 695 HA VAL 611 HA VAL 611 12.159 9.192 -8.907 696 HB VAL 611 HB VAL 611 14.066 7.590 -7.195 697 HG11 VAL 611 1HG1 VAL 611 15.383 9.865 -7.882 698 HG12 VAL 611 2HG1 VAL 611 15.567 8.314 -8.703 699 HG13 VAL 611 3HG1 VAL 611 14.474 9.534 -9.356 700 HG21 VAL 611 3HG2 VAL 611 12.313 9.392 -6.276 701 HG22 VAL 611 1HG2 VAL 611 13.928 9.190 -5.595 702 HG23 VAL 611 2HG2 VAL 611 13.615 10.481 -6.756 703 H ALA 612 H ALA 612 12.746 5.731 -8.483 704 HA ALA 612 HA ALA 612 14.317 5.334 -10.780 705 HB1 ALA 612 3HB ALA 612 12.493 3.173 -9.869 706 HB2 ALA 612 1HB ALA 612 14.200 3.106 -10.306 707 HB3 ALA 612 2HB ALA 612 13.715 3.763 -8.742 708 H VAL 613 H VAL 613 10.819 5.247 -10.277 709 HA VAL 613 HA VAL 613 10.130 4.299 -12.847 710 HB VAL 613 HB VAL 613 8.520 5.979 -10.921 711 HG11 VAL 613 1HG1 VAL 613 6.981 6.162 -12.510 712 HG12 VAL 613 2HG1 VAL 613 7.986 5.240 -13.629 713 HG13 VAL 613 3HG1 VAL 613 6.856 4.404 -12.562 714 HG21 VAL 613 3HG2 VAL 613 9.113 3.101 -11.147 715 HG22 VAL 613 1HG2 VAL 613 8.678 4.065 -9.736 716 HG23 VAL 613 2HG2 VAL 613 7.425 3.516 -10.849 717 H LEU 614 H LEU 614 10.655 7.532 -11.550 718 HA LEU 614 HA LEU 614 9.618 9.104 -13.558 719 HB2 LEU 614 1HB LEU 614 12.231 9.621 -12.154 720 HB3 LEU 614 2HB LEU 614 11.157 10.816 -12.877 721 HG LEU 614 HG LEU 614 10.751 9.241 -10.347 722 HD11 LEU 614 1HD1 LEU 614 12.053 11.222 -10.047 723 HD12 LEU 614 2HD1 LEU 614 10.431 11.536 -9.430 724 HD13 LEU 614 3HD1 LEU 614 10.917 12.177 -10.999 725 HD21 LEU 614 3HD2 LEU 614 8.761 10.609 -12.097 726 HD22 LEU 614 1HD2 LEU 614 8.565 10.679 -10.346 727 HD23 LEU 614 2HD2 LEU 614 8.608 9.118 -11.166 728 H GLN 615 H GLN 615 12.536 7.189 -13.564 729 HA GLN 615 HA GLN 615 13.957 8.294 -15.653 730 HB2 GLN 615 1HB GLN 615 14.910 6.497 -14.399 731 HB3 GLN 615 2HB GLN 615 13.606 5.407 -14.851 732 HG2 GLN 615 1HG GLN 615 14.401 5.165 -17.029 733 HG3 GLN 615 2HG GLN 615 15.424 6.596 -16.910 734 HE21 GLN 615 2HE2 GLN 615 17.216 6.465 -15.338 735 HE22 GLN 615 1HE2 GLN 615 18.028 4.951 -15.157 736 H ALA 616 H ALA 616 11.029 6.405 -15.744 737 HA ALA 616 HA ALA 616 11.081 5.730 -18.492 738 HB1 ALA 616 3HB ALA 616 9.055 4.779 -18.138 739 HB2 ALA 616 1HB ALA 616 9.547 4.949 -16.452 740 HB3 ALA 616 2HB ALA 616 8.461 6.134 -17.179 741 H HIS 617 H HIS 617 9.875 8.521 -16.716 742 HA HIS 617 HA HIS 617 8.922 9.731 -19.207 743 HB2 HIS 617 1HB HIS 617 7.374 9.812 -17.327 744 HB3 HIS 617 2HB HIS 617 8.591 10.603 -16.329 745 HD1 HIS 617 HD1 HIS 617 7.085 11.363 -19.752 746 HD2 HIS 617 HD2 HIS 617 8.020 13.227 -16.158 747 HE1 HIS 617 HE1 HIS 617 6.407 13.766 -20.045 748 H GLN 618 H GLN 618 10.461 11.167 -16.342 749 HA GLN 618 HA GLN 618 12.675 12.138 -17.950 750 HB2 GLN 618 1HB GLN 618 10.622 13.949 -16.692 751 HB3 GLN 618 2HB GLN 618 12.251 14.499 -17.061 752 HG2 GLN 618 1HG GLN 618 11.918 14.035 -19.407 753 HG3 GLN 618 2HG GLN 618 10.321 13.368 -19.073 754 HE21 GLN 618 2HE2 GLN 618 9.056 14.766 -20.145 755 HE22 GLN 618 1HE2 GLN 618 8.971 16.461 -19.823 756 H ALA 619 H ALA 619 14.508 12.438 -16.784 757 HA ALA 619 HA ALA 619 14.304 11.981 -13.883 758 HB1 ALA 619 3HB ALA 619 16.762 11.540 -15.556 759 HB2 ALA 619 1HB ALA 619 16.419 10.939 -13.933 760 HB3 ALA 619 2HB ALA 619 15.535 10.296 -15.318 761 H LYS 620 H LYS 620 13.877 14.299 -13.651 762 HA LYS 620 HA LYS 620 14.484 16.438 -13.165 763 HB2 LYS 620 1HB LYS 620 15.999 15.063 -11.643 764 HB3 LYS 620 2HB LYS 620 17.278 15.359 -12.813 765 HG2 LYS 620 1HG LYS 620 16.356 17.878 -12.386 766 HG3 LYS 620 2HG LYS 620 16.110 17.139 -10.802 767 HD2 LYS 620 1HD LYS 620 18.707 17.008 -12.327 768 HD3 LYS 620 2HD LYS 620 18.340 18.243 -11.121 769 HE2 LYS 620 1HE LYS 620 19.366 16.757 -9.752 770 HE3 LYS 620 2HE LYS 620 17.745 16.069 -9.690 771 HZ1 LYS 620 3HZ LYS 620 19.951 14.694 -10.340 772 HZ2 LYS 620 1HZ LYS 620 19.380 15.118 -11.875 773 HZ3 LYS 620 2HZ LYS 620 18.386 14.257 -10.811 774 H GLU 621 H GLU 621 14.703 15.507 -15.948 775 HA GLU 621 HA GLU 621 16.839 17.267 -16.940 776 HB2 GLU 621 1HB GLU 621 15.342 14.997 -18.246 777 HB3 GLU 621 2HB GLU 621 16.379 16.096 -19.143 778 HG2 GLU 621 1HG GLU 621 17.481 14.705 -16.756 779 HG3 GLU 621 2HG GLU 621 17.280 13.806 -18.259 780 H ALA 622 H ALA 622 14.586 18.506 -15.920 781 HA ALA 622 HA ALA 622 13.260 19.490 -18.363 782 HB1 ALA 622 3HB ALA 622 11.764 20.086 -15.978 783 HB2 ALA 622 1HB ALA 622 11.265 19.214 -17.427 784 HB3 ALA 622 2HB ALA 622 12.062 18.353 -16.110 785 H ALA 623 H ALA 623 14.349 20.379 -15.100 786 HA ALA 623 HA ALA 623 14.619 23.161 -16.038 787 HB1 ALA 623 3HB ALA 623 14.386 22.344 -13.157 788 HB2 ALA 623 1HB ALA 623 14.172 23.944 -13.866 789 HB3 ALA 623 2HB ALA 623 12.976 22.682 -14.160 Start of MODEL 14 1 H1 ALA 64 1H ALA 64 -0.967 -1.373 -0.426 2 HA ALA 64 HA ALA 64 0.257 0.323 -2.481 3 HB1 ALA 64 3HB ALA 64 2.287 -0.554 -0.821 4 HB2 ALA 64 1HB ALA 64 1.461 1.002 -0.736 5 HB3 ALA 64 2HB ALA 64 0.912 -0.344 0.264 6 H PHE 65 H PHE 65 1.774 -0.440 -3.922 7 HA PHE 65 HA PHE 65 2.094 -3.367 -4.028 8 HB2 PHE 65 1HB PHE 65 2.348 -2.938 -6.563 9 HB3 PHE 65 2HB PHE 65 0.730 -2.888 -5.870 10 HD1 PHE 65 HD1 PHE 65 -0.430 -0.756 -5.574 11 HD2 PHE 65 HD2 PHE 65 3.384 -0.977 -7.453 12 HE1 PHE 65 HE1 PHE 65 -0.751 1.506 -6.486 13 HE2 PHE 65 HE2 PHE 65 3.068 1.285 -8.367 14 HZ PHE 65 HZ PHE 65 0.999 2.530 -7.883 15 H SER 66 H SER 66 4.115 -4.097 -3.976 16 HA SER 66 HA SER 66 6.318 -2.346 -3.691 17 HB2 SER 66 1HB SER 66 7.684 -4.413 -3.700 18 HB3 SER 66 2HB SER 66 6.292 -4.543 -2.624 19 HG SER 66 HG SER 66 6.468 -5.575 -5.265 20 H ARG 67 H ARG 67 5.107 -4.277 -6.381 21 HA ARG 67 HA ARG 67 7.217 -4.106 -8.148 22 HB2 ARG 67 1HB ARG 67 5.604 -4.417 -9.928 23 HB3 ARG 67 2HB ARG 67 5.146 -5.400 -8.543 24 HG2 ARG 67 1HG ARG 67 3.371 -3.963 -7.978 25 HG3 ARG 67 2HG ARG 67 3.959 -2.691 -9.052 26 HD2 ARG 67 1HD ARG 67 2.869 -5.375 -9.893 27 HD3 ARG 67 2HD ARG 67 2.033 -3.828 -10.018 28 HE ARG 67 HE ARG 67 4.278 -3.389 -11.432 29 HH11 ARG 67 1HH1 ARG 67 1.921 -5.951 -11.499 30 HH12 ARG 67 2HH1 ARG 67 2.133 -6.278 -13.187 31 HH21 ARG 67 1HH2 ARG 67 4.566 -3.811 -13.655 32 HH22 ARG 67 2HH2 ARG 67 3.639 -5.061 -14.412 33 H GLN 68 H GLN 68 7.244 -2.756 -10.201 34 HA GLN 68 HA GLN 68 7.793 -0.116 -9.625 35 HB2 GLN 68 1HB GLN 68 8.034 0.239 -11.938 36 HB3 GLN 68 2HB GLN 68 8.408 -1.463 -11.706 37 HG2 GLN 68 1HG GLN 68 5.772 -1.629 -12.204 38 HG3 GLN 68 2HG GLN 68 6.177 -0.190 -13.138 39 HE21 GLN 68 2HE2 GLN 68 5.299 -2.189 -14.575 40 HE22 GLN 68 1HE2 GLN 68 6.570 -3.004 -15.415 41 H LEU 69 H LEU 69 6.720 1.858 -10.359 42 HA LEU 69 HA LEU 69 3.786 1.628 -10.200 43 HB2 LEU 69 1HB LEU 69 3.880 3.947 -9.229 44 HB3 LEU 69 2HB LEU 69 4.505 2.654 -8.207 45 HG LEU 69 HG LEU 69 6.817 3.377 -9.145 46 HD11 LEU 69 1HD1 LEU 69 5.130 5.805 -9.718 47 HD12 LEU 69 2HD1 LEU 69 6.086 4.870 -10.867 48 HD13 LEU 69 3HD1 LEU 69 6.891 5.818 -9.616 49 HD21 LEU 69 3HD2 LEU 69 7.038 4.070 -7.050 50 HD22 LEU 69 1HD2 LEU 69 5.282 4.099 -6.887 51 HD23 LEU 69 2HD2 LEU 69 6.142 5.545 -7.418 52 H ASN 70 H ASN 70 2.911 4.016 -10.905 53 HA ASN 70 HA ASN 70 3.862 4.307 -13.667 54 HB2 ASN 70 1HB ASN 70 1.538 3.776 -13.595 55 HB3 ASN 70 2HB ASN 70 1.232 4.978 -12.344 56 HD21 ASN 70 2HD2 ASN 70 -0.062 6.426 -13.234 57 HD22 ASN 70 1HD2 ASN 70 0.206 7.228 -14.740 58 H VAL 71 H VAL 71 4.615 6.206 -14.451 59 HA VAL 71 HA VAL 71 5.182 8.301 -12.508 60 HB VAL 71 HB VAL 71 7.018 7.539 -13.927 61 HG11 VAL 71 1HG1 VAL 71 6.070 8.802 -16.383 62 HG12 VAL 71 2HG1 VAL 71 6.890 7.258 -16.144 63 HG13 VAL 71 3HG1 VAL 71 5.145 7.375 -15.917 64 HG21 VAL 71 3HG2 VAL 71 6.266 10.327 -14.774 65 HG22 VAL 71 1HG2 VAL 71 6.810 9.934 -13.143 66 HG23 VAL 71 2HG2 VAL 71 7.880 9.663 -14.518 67 H ASN 72 H ASN 72 3.034 7.659 -15.108 68 HA ASN 72 HA ASN 72 2.494 10.349 -15.869 69 HB2 ASN 72 1HB ASN 72 1.272 7.686 -16.387 70 HB3 ASN 72 2HB ASN 72 0.256 9.101 -16.642 71 HD21 ASN 72 2HD2 ASN 72 3.414 7.745 -17.456 72 HD22 ASN 72 1HD2 ASN 72 3.507 8.450 -19.031 73 H ALA 73 H ALA 73 1.718 8.549 -13.124 74 HA ALA 73 HA ALA 73 -0.848 9.389 -12.460 75 HB1 ALA 73 3HB ALA 73 0.882 9.317 -10.144 76 HB2 ALA 73 1HB ALA 73 -0.451 8.251 -10.591 77 HB3 ALA 73 2HB ALA 73 1.170 7.947 -11.216 78 H LYS 74 H LYS 74 -1.677 11.333 -12.112 79 HA LYS 74 HA LYS 74 -0.307 13.724 -12.240 80 HB2 LYS 74 1HB LYS 74 -2.981 12.909 -11.218 81 HB3 LYS 74 2HB LYS 74 -2.407 14.516 -10.792 82 HG2 LYS 74 1HG LYS 74 -2.262 15.165 -13.065 83 HG3 LYS 74 2HG LYS 74 -2.498 13.507 -13.622 84 HD2 LYS 74 1HD LYS 74 -4.578 14.917 -11.980 85 HD3 LYS 74 2HD LYS 74 -4.496 15.122 -13.732 86 HE2 LYS 74 1HE LYS 74 -4.966 12.865 -14.132 87 HE3 LYS 74 2HE LYS 74 -4.563 12.396 -12.481 88 HZ1 LYS 74 3HZ LYS 74 -7.063 13.214 -13.548 89 HZ2 LYS 74 1HZ LYS 74 -6.621 14.209 -12.253 90 HZ3 LYS 74 2HZ LYS 74 -6.717 12.534 -12.039 91 HA PRO 75 HA PRO 75 1.605 14.479 -8.364 92 HB2 PRO 75 1HB PRO 75 1.116 17.120 -7.966 93 HB3 PRO 75 2HB PRO 75 2.252 16.525 -9.184 94 HG2 PRO 75 1HG PRO 75 -0.581 17.433 -9.519 95 HG3 PRO 75 2HG PRO 75 0.833 17.780 -10.532 96 HD2 PRO 75 1HD PRO 75 -1.002 15.901 -11.188 97 HD3 PRO 75 2HD PRO 75 0.714 15.749 -11.614 98 H PHE 76 H PHE 76 -0.767 16.960 -7.803 99 HA PHE 76 HA PHE 76 -2.589 15.461 -6.248 100 HB2 PHE 76 1HB PHE 76 -1.949 16.148 -4.010 101 HB3 PHE 76 2HB PHE 76 -0.612 15.282 -4.759 102 HD1 PHE 76 HD1 PHE 76 1.139 16.810 -5.989 103 HD2 PHE 76 HD2 PHE 76 -1.519 18.132 -2.938 104 HE1 PHE 76 HE1 PHE 76 2.633 18.706 -5.513 105 HE2 PHE 76 HE2 PHE 76 -0.030 20.030 -2.458 106 HZ PHE 76 HZ PHE 76 2.049 20.320 -3.746 107 H VAL 77 H VAL 77 -3.456 17.290 -4.421 108 HA VAL 77 HA VAL 77 -4.200 19.570 -6.131 109 HB VAL 77 HB VAL 77 -5.719 18.360 -3.816 110 HG11 VAL 77 1HG1 VAL 77 -6.824 20.282 -3.702 111 HG12 VAL 77 2HG1 VAL 77 -5.879 20.944 -5.036 112 HG13 VAL 77 3HG1 VAL 77 -7.358 20.042 -5.365 113 HG21 VAL 77 3HG2 VAL 77 -7.202 17.430 -5.382 114 HG22 VAL 77 1HG2 VAL 77 -6.549 18.400 -6.702 115 HG23 VAL 77 2HG2 VAL 77 -5.597 17.081 -6.022 116 HA PRO 78 HA PRO 78 -1.654 21.440 -2.777 117 HB2 PRO 78 1HB PRO 78 -0.564 23.343 -4.377 118 HB3 PRO 78 2HB PRO 78 0.098 21.711 -4.239 119 HG2 PRO 78 1HG PRO 78 -1.676 22.862 -6.357 120 HG3 PRO 78 2HG PRO 78 -0.260 21.810 -6.535 121 HD2 PRO 78 1HD PRO 78 -2.797 20.873 -6.672 122 HD3 PRO 78 2HD PRO 78 -1.454 19.905 -6.029 123 H ASN 79 H ASN 79 -1.355 24.052 -2.591 124 HA ASN 79 HA ASN 79 -4.015 25.011 -2.115 125 HB2 ASN 79 1HB ASN 79 -2.816 27.074 -1.309 126 HB3 ASN 79 2HB ASN 79 -2.334 25.583 -0.505 127 HD21 ASN 79 2HD2 ASN 79 -0.440 26.838 0.077 128 HD22 ASN 79 1HD2 ASN 79 0.875 26.941 -1.039 129 H VAL 80 H VAL 80 -4.476 24.771 -4.530 130 HA VAL 80 HA VAL 80 -4.647 27.378 -5.659 131 HB VAL 80 HB VAL 80 -2.304 26.827 -6.266 132 HG11 VAL 80 1HG1 VAL 80 -3.156 24.871 -8.302 133 HG12 VAL 80 2HG1 VAL 80 -1.676 24.945 -7.344 134 HG13 VAL 80 3HG1 VAL 80 -3.156 24.299 -6.634 135 HG21 VAL 80 3HG2 VAL 80 -3.441 26.773 -8.923 136 HG22 VAL 80 1HG2 VAL 80 -4.325 27.873 -7.864 137 HG23 VAL 80 2HG2 VAL 80 -2.587 28.073 -8.091 138 H HIS 81 H HIS 81 -6.333 27.497 -7.039 139 HA HIS 81 HA HIS 81 -7.783 25.025 -7.582 140 HB2 HIS 81 1HB HIS 81 -8.489 27.908 -7.429 141 HB3 HIS 81 2HB HIS 81 -9.438 26.910 -8.526 142 HD1 HIS 81 HD1 HIS 81 -9.778 24.366 -6.927 143 HD2 HIS 81 HD2 HIS 81 -10.078 28.156 -5.252 144 HE1 HIS 81 HE1 HIS 81 -11.159 24.074 -4.846 145 H ALA 82 H ALA 82 -6.676 27.902 -9.366 146 HA ALA 82 HA ALA 82 -7.333 26.843 -11.923 147 HB1 ALA 82 3HB ALA 82 -5.256 28.959 -11.545 148 HB2 ALA 82 1HB ALA 82 -6.476 28.797 -12.809 149 HB3 ALA 82 2HB ALA 82 -6.948 29.304 -11.186 150 H1 GLY 541 1H GLY 541 7.898 23.395 4.909 151 HA2 GLY 541 1HA GLY 541 9.706 21.204 5.537 152 HA3 GLY 541 2HA GLY 541 10.029 22.919 5.749 153 H GLN 542 H GLN 542 7.373 23.180 7.164 154 HA GLN 542 HA GLN 542 8.008 21.788 9.666 155 HB2 GLN 542 1HB GLN 542 7.867 23.759 10.978 156 HB3 GLN 542 2HB GLN 542 8.955 24.134 9.648 157 HG2 GLN 542 1HG GLN 542 6.816 25.054 8.503 158 HG3 GLN 542 2HG GLN 542 6.174 25.091 10.144 159 HE21 GLN 542 2HE2 GLN 542 6.046 27.395 9.810 160 HE22 GLN 542 1HE2 GLN 542 7.448 28.373 10.058 161 H GLU 543 H GLU 543 6.090 22.812 11.293 162 HA GLU 543 HA GLU 543 3.900 22.576 11.863 163 HB2 GLU 543 1HB GLU 543 3.782 23.682 9.101 164 HB3 GLU 543 2HB GLU 543 2.293 23.052 9.791 165 HG2 GLU 543 1HG GLU 543 2.386 24.592 11.601 166 HG3 GLU 543 2HG GLU 543 4.013 25.104 11.156 167 HA PRO 544 HA PRO 544 3.885 18.299 10.054 168 HB2 PRO 544 1HB PRO 544 3.859 17.033 12.455 169 HB3 PRO 544 2HB PRO 544 5.350 17.539 11.652 170 HG2 PRO 544 1HG PRO 544 3.839 18.879 13.862 171 HG3 PRO 544 2HG PRO 544 5.588 18.645 13.684 172 HD2 PRO 544 1HD PRO 544 4.366 20.991 13.107 173 HD3 PRO 544 2HD PRO 544 5.806 20.425 12.236 174 H LEU 545 H LEU 545 2.267 16.568 10.432 175 HA LEU 545 HA LEU 545 -0.331 17.760 11.020 176 HB2 LEU 545 1HB LEU 545 0.649 15.819 9.172 177 HB3 LEU 545 2HB LEU 545 -0.597 15.074 10.171 178 HG LEU 545 HG LEU 545 -2.087 17.019 9.538 179 HD11 LEU 545 1HD1 LEU 545 -1.530 18.435 7.776 180 HD12 LEU 545 2HD1 LEU 545 -0.184 17.421 7.258 181 HD13 LEU 545 3HD1 LEU 545 -0.054 18.371 8.739 182 HD21 LEU 545 3HD2 LEU 545 -1.233 14.741 7.920 183 HD22 LEU 545 1HD2 LEU 545 -2.019 16.020 6.994 184 HD23 LEU 545 2HD2 LEU 545 -2.854 15.279 8.360 185 H THR 546 H THR 546 -1.908 15.789 11.802 186 HA THR 546 HA THR 546 -0.661 14.627 14.203 187 HB THR 546 HB THR 546 -3.477 15.705 14.190 188 HG1 THR 546 HG1 THR 546 -2.692 17.598 15.019 189 HG21 THR 546 3HG2 THR 546 -3.583 14.900 16.267 190 HG22 THR 546 1HG2 THR 546 -2.074 15.697 16.709 191 HG23 THR 546 2HG2 THR 546 -2.042 14.094 15.974 192 H ALA 547 H ALA 547 -2.061 13.942 11.363 193 HA ALA 547 HA ALA 547 -2.975 12.061 10.463 194 HB1 ALA 547 3HB ALA 547 -1.529 11.164 12.702 195 HB2 ALA 547 1HB ALA 547 -3.071 10.309 12.725 196 HB3 ALA 547 2HB ALA 547 -2.039 10.230 11.296 197 H SER 548 H SER 548 -4.467 14.023 12.388 198 HA SER 548 HA SER 548 -6.919 12.400 12.591 199 HB2 SER 548 1HB SER 548 -5.806 13.266 14.762 200 HB3 SER 548 2HB SER 548 -6.410 14.847 14.268 201 HG SER 548 HG SER 548 -8.167 14.198 15.229 202 H MET 549 H MET 549 -5.500 15.470 11.681 203 HA MET 549 HA MET 549 -7.740 16.989 11.145 204 HB2 MET 549 1HB MET 549 -5.013 16.862 9.913 205 HB3 MET 549 2HB MET 549 -6.236 17.910 9.206 206 HG2 MET 549 1HG MET 549 -6.374 18.503 11.889 207 HG3 MET 549 2HG MET 549 -4.652 18.246 11.615 208 HE1 MET 549 3HE MET 549 -4.052 20.760 8.605 209 HE2 MET 549 1HE MET 549 -3.227 19.688 9.738 210 HE3 MET 549 2HE MET 549 -4.401 19.030 8.598 211 H LEU 550 H LEU 550 -6.203 14.531 9.117 212 HA LEU 550 HA LEU 550 -7.821 14.919 6.838 213 HB2 LEU 550 1HB LEU 550 -5.984 12.825 7.831 214 HB3 LEU 550 2HB LEU 550 -7.153 12.334 6.607 215 HG LEU 550 HG LEU 550 -6.234 14.377 5.285 216 HD11 LEU 550 1HD1 LEU 550 -4.904 15.325 7.077 217 HD12 LEU 550 2HD1 LEU 550 -3.866 14.824 5.743 218 HD13 LEU 550 3HD1 LEU 550 -3.968 13.835 7.199 219 HD21 LEU 550 3HD2 LEU 550 -5.973 12.155 4.472 220 HD22 LEU 550 1HD2 LEU 550 -4.751 11.787 5.690 221 HD23 LEU 550 2HD2 LEU 550 -4.389 12.930 4.396 222 H ALA 551 H ALA 551 -8.280 13.130 9.797 223 HA ALA 551 HA ALA 551 -10.355 11.423 8.996 224 HB1 ALA 551 3HB ALA 551 -10.549 10.868 11.192 225 HB2 ALA 551 1HB ALA 551 -8.973 11.657 11.252 226 HB3 ALA 551 2HB ALA 551 -10.420 12.538 11.743 227 H SER 552 H SER 552 -10.500 14.650 10.498 228 HA SER 552 HA SER 552 -13.365 14.773 9.924 229 HB2 SER 552 1HB SER 552 -11.516 16.378 11.670 230 HB3 SER 552 2HB SER 552 -13.099 17.011 11.219 231 HG SER 552 HG SER 552 -12.433 14.914 12.910 232 H ALA 553 H ALA 553 -11.476 14.878 7.754 233 HA ALA 553 HA ALA 553 -12.115 17.560 6.725 234 HB1 ALA 553 3HB ALA 553 -9.892 17.135 5.356 235 HB2 ALA 553 1HB ALA 553 -9.869 17.875 6.956 236 HB3 ALA 553 2HB ALA 553 -9.496 16.161 6.771 237 HA PRO 554 HA PRO 554 -13.786 15.607 3.169 238 HB2 PRO 554 1HB PRO 554 -13.042 17.292 1.175 239 HB3 PRO 554 2HB PRO 554 -14.280 17.703 2.368 240 HG2 PRO 554 1HG PRO 554 -11.394 18.494 2.283 241 HG3 PRO 554 2HG PRO 554 -12.813 19.481 2.676 242 HD2 PRO 554 1HD PRO 554 -11.187 18.446 4.578 243 HD3 PRO 554 2HD PRO 554 -12.928 18.683 4.835 244 HA PRO 555 HA PRO 555 -10.884 13.096 1.024 245 HB2 PRO 555 1HB PRO 555 -12.007 12.844 -1.434 246 HB3 PRO 555 2HB PRO 555 -12.663 12.058 0.006 247 HG2 PRO 555 1HG PRO 555 -13.539 14.586 -1.336 248 HG3 PRO 555 2HG PRO 555 -14.527 13.268 -0.678 249 HD2 PRO 555 1HD PRO 555 -14.117 15.588 0.657 250 HD3 PRO 555 2HD PRO 555 -14.330 14.034 1.487 251 H GLN 556 H GLN 556 -11.462 16.286 0.010 252 HA GLN 556 HA GLN 556 -9.420 16.206 -2.077 253 HB2 GLN 556 1HB GLN 556 -11.027 18.592 -1.165 254 HB3 GLN 556 2HB GLN 556 -10.120 18.420 -2.663 255 HG2 GLN 556 1HG GLN 556 -11.692 16.567 -3.285 256 HG3 GLN 556 2HG GLN 556 -12.661 17.020 -1.884 257 HE21 GLN 556 2HE2 GLN 556 -14.107 18.595 -2.099 258 HE22 GLN 556 1HE2 GLN 556 -14.258 19.633 -3.472 259 H GLU 557 H GLU 557 -10.076 17.756 1.040 260 HA GLU 557 HA GLU 557 -7.705 19.277 1.156 261 HB2 GLU 557 1HB GLU 557 -9.645 18.292 3.227 262 HB3 GLU 557 2HB GLU 557 -8.179 19.137 3.703 263 HG2 GLU 557 1HG GLU 557 -8.851 21.065 2.367 264 HG3 GLU 557 2HG GLU 557 -10.320 20.218 1.884 265 H GLN 558 H GLN 558 -8.365 15.935 1.744 266 HA GLN 558 HA GLN 558 -6.327 15.217 3.477 267 HB2 GLN 558 1HB GLN 558 -7.468 13.682 1.138 268 HB3 GLN 558 2HB GLN 558 -6.427 12.979 2.369 269 HG2 GLN 558 1HG GLN 558 -8.421 14.201 3.831 270 HG3 GLN 558 2HG GLN 558 -9.269 13.541 2.433 271 HE21 GLN 558 2HE2 GLN 558 -9.471 12.717 5.183 272 HE22 GLN 558 1HE2 GLN 558 -8.996 11.057 5.244 273 H LYS 559 H LYS 559 -6.114 14.566 -0.013 274 HA LYS 559 HA LYS 559 -3.380 14.212 -0.129 275 HB2 LYS 559 1HB LYS 559 -3.616 14.868 -2.567 276 HB3 LYS 559 2HB LYS 559 -4.670 13.574 -2.012 277 HG2 LYS 559 1HG LYS 559 -6.521 15.146 -1.824 278 HG3 LYS 559 2HG LYS 559 -5.466 16.459 -2.353 279 HD2 LYS 559 1HD LYS 559 -5.463 15.764 -4.524 280 HD3 LYS 559 2HD LYS 559 -5.637 14.061 -4.092 281 HE2 LYS 559 1HE LYS 559 -7.978 14.403 -3.573 282 HE3 LYS 559 2HE LYS 559 -7.822 16.131 -3.884 283 HZ1 LYS 559 3HZ LYS 559 -8.380 14.078 -5.710 284 HZ2 LYS 559 1HZ LYS 559 -6.896 14.770 -6.137 285 HZ3 LYS 559 2HZ LYS 559 -8.274 15.741 -6.000 286 H GLN 560 H GLN 560 -5.217 17.180 -0.078 287 HA GLN 560 HA GLN 560 -3.228 18.942 -0.992 288 HB2 GLN 560 1HB GLN 560 -5.637 19.514 -0.734 289 HB3 GLN 560 2HB GLN 560 -5.417 19.520 1.011 290 HG2 GLN 560 1HG GLN 560 -3.650 21.295 0.642 291 HG3 GLN 560 2HG GLN 560 -4.250 21.402 -1.013 292 HE21 GLN 560 2HE2 GLN 560 -6.871 21.306 -0.851 293 HE22 GLN 560 1HE2 GLN 560 -7.508 22.577 0.131 294 H MET 561 H MET 561 -4.296 18.510 2.387 295 HA MET 561 HA MET 561 -2.083 19.810 3.519 296 HB2 MET 561 1HB MET 561 -3.779 17.670 4.813 297 HB3 MET 561 2HB MET 561 -2.823 18.896 5.635 298 HG2 MET 561 1HG MET 561 -4.267 20.636 4.852 299 HG3 MET 561 2HG MET 561 -5.148 19.505 3.828 300 HE1 MET 561 3HE MET 561 -7.436 17.923 5.118 301 HE2 MET 561 1HE MET 561 -5.822 17.261 4.860 302 HE3 MET 561 2HE MET 561 -6.608 17.080 6.427 303 H LEU 562 H LEU 562 -2.780 16.311 3.385 304 HA LEU 562 HA LEU 562 -0.415 15.374 4.448 305 HB2 LEU 562 1HB LEU 562 -2.338 13.957 3.955 306 HB3 LEU 562 2HB LEU 562 -2.051 14.156 2.227 307 HG LEU 562 HG LEU 562 0.136 12.993 3.870 308 HD11 LEU 562 1HD1 LEU 562 -1.805 11.036 2.865 309 HD12 LEU 562 2HD1 LEU 562 -2.344 11.970 4.260 310 HD13 LEU 562 3HD1 LEU 562 -0.850 11.036 4.348 311 HD21 LEU 562 3HD2 LEU 562 -0.489 13.336 1.132 312 HD22 LEU 562 1HD2 LEU 562 -0.486 11.604 1.465 313 HD23 LEU 562 2HD2 LEU 562 0.935 12.577 1.844 314 H GLY 563 H GLY 563 -1.129 15.714 0.963 315 HA2 GLY 563 1HA GLY 563 1.428 15.114 0.029 316 HA3 GLY 563 2HA GLY 563 0.253 16.101 -0.827 317 H GLU 564 H GLU 564 0.092 18.190 1.123 318 HA GLU 564 HA GLU 564 2.223 19.817 0.244 319 HB2 GLU 564 1HB GLU 564 0.001 20.109 2.211 320 HB3 GLU 564 2HB GLU 564 1.324 21.264 2.280 321 HG2 GLU 564 1HG GLU 564 0.037 20.719 -0.344 322 HG3 GLU 564 2HG GLU 564 -0.810 21.723 0.831 323 H ARG 565 H ARG 565 1.628 18.101 3.276 324 HA ARG 565 HA ARG 565 3.981 19.122 4.556 325 HB2 ARG 565 1HB ARG 565 1.917 18.353 5.764 326 HB3 ARG 565 2HB ARG 565 2.346 16.704 5.330 327 HG2 ARG 565 1HG ARG 565 4.481 16.983 6.549 328 HG3 ARG 565 2HG ARG 565 3.938 18.583 7.059 329 HD2 ARG 565 1HD ARG 565 2.501 17.750 8.584 330 HD3 ARG 565 2HD ARG 565 2.043 16.390 7.560 331 HE ARG 565 HE ARG 565 3.978 16.374 9.634 332 HH11 ARG 565 1HH1 ARG 565 3.286 15.052 6.489 333 HH12 ARG 565 2HH1 ARG 565 4.217 13.613 6.746 334 HH21 ARG 565 1HH2 ARG 565 5.206 14.484 9.984 335 HH22 ARG 565 2HH2 ARG 565 5.308 13.291 8.734 336 H LEU 566 H LEU 566 3.148 16.266 2.705 337 HA LEU 566 HA LEU 566 5.563 14.848 3.315 338 HB2 LEU 566 1HB LEU 566 3.156 14.416 1.726 339 HB3 LEU 566 2HB LEU 566 4.611 13.772 0.970 340 HG LEU 566 HG LEU 566 4.985 12.667 3.312 341 HD11 LEU 566 1HD1 LEU 566 3.310 13.532 4.648 342 HD12 LEU 566 2HD1 LEU 566 2.629 11.984 4.147 343 HD13 LEU 566 3HD1 LEU 566 2.107 13.473 3.359 344 HD21 LEU 566 3HD2 LEU 566 4.461 10.772 2.249 345 HD22 LEU 566 1HD2 LEU 566 4.034 11.809 0.887 346 HD23 LEU 566 2HD2 LEU 566 2.784 11.266 2.006 347 H PHE 567 H PHE 567 4.587 17.205 0.972 348 HA PHE 567 HA PHE 567 6.304 16.801 -1.128 349 HB2 PHE 567 1HB PHE 567 4.901 18.591 -1.489 350 HB3 PHE 567 2HB PHE 567 5.137 19.239 0.130 351 HD1 PHE 567 HD1 PHE 567 7.389 18.458 -2.744 352 HD2 PHE 567 HD2 PHE 567 6.059 21.331 0.100 353 HE1 PHE 567 HE1 PHE 567 9.005 20.085 -3.637 354 HE2 PHE 567 HE2 PHE 567 7.671 22.963 -0.789 355 HZ PHE 567 HZ PHE 567 9.146 22.341 -2.660 356 HA PRO 568 HA PRO 568 9.790 19.246 1.160 357 HB2 PRO 568 1HB PRO 568 9.429 19.736 3.805 358 HB3 PRO 568 2HB PRO 568 8.890 20.847 2.540 359 HG2 PRO 568 1HG PRO 568 7.314 18.820 4.081 360 HG3 PRO 568 2HG PRO 568 6.877 20.482 3.646 361 HD2 PRO 568 1HD PRO 568 5.957 18.330 2.284 362 HD3 PRO 568 2HD PRO 568 6.264 19.895 1.503 363 H LEU 569 H LEU 569 8.055 17.022 3.330 364 HA LEU 569 HA LEU 569 10.191 15.935 4.696 365 HB2 LEU 569 1HB LEU 569 7.606 15.507 4.819 366 HB3 LEU 569 2HB LEU 569 7.992 14.147 3.766 367 HG LEU 569 HG LEU 569 7.835 13.490 6.125 368 HD11 LEU 569 1HD1 LEU 569 9.482 12.490 4.397 369 HD12 LEU 569 2HD1 LEU 569 9.665 12.073 6.101 370 HD13 LEU 569 3HD1 LEU 569 10.722 13.281 5.371 371 HD21 LEU 569 3HD2 LEU 569 10.339 15.044 6.663 372 HD22 LEU 569 1HD2 LEU 569 9.200 14.333 7.807 373 HD23 LEU 569 2HD2 LEU 569 8.749 15.774 6.895 374 H ILE 570 H ILE 570 9.044 15.218 1.455 375 HA ILE 570 HA ILE 570 10.748 12.945 1.084 376 HB ILE 570 HB ILE 570 9.197 14.629 -0.881 377 HG12 ILE 570 1HG1 ILE 570 8.747 11.792 0.067 378 HG13 ILE 570 2HG1 ILE 570 7.926 13.197 0.739 379 HG21 ILE 570 1HG2 ILE 570 11.056 12.332 -1.308 380 HG22 ILE 570 2HG2 ILE 570 9.655 12.532 -2.358 381 HG23 ILE 570 3HG2 ILE 570 10.863 13.811 -2.248 382 HD11 ILE 570 3HD1 ILE 570 6.462 13.259 -0.930 383 HD12 ILE 570 1HD1 ILE 570 7.714 13.045 -2.154 384 HD13 ILE 570 2HD1 ILE 570 7.035 11.640 -1.331 385 H GLN 571 H GLN 571 10.970 16.385 0.456 386 HA GLN 571 HA GLN 571 13.132 16.416 -1.304 387 HB2 GLN 571 1HB GLN 571 12.333 18.405 0.823 388 HB3 GLN 571 2HB GLN 571 13.559 18.714 -0.398 389 HG2 GLN 571 1HG GLN 571 11.842 18.342 -2.145 390 HG3 GLN 571 2HG GLN 571 10.635 18.188 -0.869 391 HE21 GLN 571 2HE2 GLN 571 11.483 20.167 0.858 392 HE22 GLN 571 1HE2 GLN 571 11.272 21.707 0.105 393 H ALA 572 H ALA 572 13.002 15.603 2.020 394 HA ALA 572 HA ALA 572 15.522 16.283 2.950 395 HB1 ALA 572 3HB ALA 572 14.453 13.627 3.725 396 HB2 ALA 572 1HB ALA 572 15.084 14.935 4.727 397 HB3 ALA 572 2HB ALA 572 13.454 15.041 4.060 398 H MET 573 H MET 573 14.554 13.688 0.809 399 HA MET 573 HA MET 573 17.379 12.874 0.599 400 HB2 MET 573 1HB MET 573 16.528 10.650 -0.129 401 HB3 MET 573 2HB MET 573 16.101 11.056 1.528 402 HG2 MET 573 1HG MET 573 13.965 11.997 0.060 403 HG3 MET 573 2HG MET 573 14.401 10.493 -0.748 404 HE1 MET 573 3HE MET 573 12.851 11.601 3.156 405 HE2 MET 573 1HE MET 573 12.595 12.254 1.537 406 HE3 MET 573 2HE MET 573 11.529 10.994 2.158 407 H HIS 574 H HIS 574 14.438 13.715 -1.082 408 HA HIS 574 HA HIS 574 15.988 13.954 -3.564 409 HB2 HIS 574 1HB HIS 574 13.481 12.411 -3.118 410 HB3 HIS 574 2HB HIS 574 13.631 13.298 -4.632 411 HD1 HIS 574 HD1 HIS 574 15.626 12.583 -6.212 412 HD2 HIS 574 HD2 HIS 574 14.950 10.086 -2.961 413 HE1 HIS 574 HE1 HIS 574 16.873 10.461 -6.724 414 HA PRO 575 HA PRO 575 13.724 17.863 -2.525 415 HB2 PRO 575 1HB PRO 575 15.823 19.494 -3.079 416 HB3 PRO 575 2HB PRO 575 15.584 18.738 -1.499 417 HG2 PRO 575 1HG PRO 575 17.377 17.905 -3.746 418 HG3 PRO 575 2HG PRO 575 17.714 17.954 -2.006 419 HD2 PRO 575 1HD PRO 575 17.092 15.661 -3.304 420 HD3 PRO 575 2HD PRO 575 16.638 15.954 -1.613 421 H THR 576 H THR 576 15.151 16.435 -5.238 422 HA THR 576 HA THR 576 14.335 18.603 -7.035 423 HB THR 576 HB THR 576 15.396 16.929 -8.769 424 HG1 THR 576 HG1 THR 576 17.227 15.883 -7.557 425 HG21 THR 576 3HG2 THR 576 16.528 18.909 -8.657 426 HG22 THR 576 1HG2 THR 576 17.731 17.866 -7.901 427 HG23 THR 576 2HG2 THR 576 16.670 18.857 -6.901 428 H LEU 577 H LEU 577 13.939 15.084 -6.655 429 HA LEU 577 HA LEU 577 11.687 15.119 -8.504 430 HB2 LEU 577 1HB LEU 577 13.079 12.868 -7.064 431 HB3 LEU 577 2HB LEU 577 11.710 12.652 -8.152 432 HG LEU 577 HG LEU 577 13.606 12.095 -9.415 433 HD11 LEU 577 1HD1 LEU 577 13.247 13.392 -11.222 434 HD12 LEU 577 2HD1 LEU 577 13.509 14.893 -10.335 435 HD13 LEU 577 3HD1 LEU 577 11.959 14.061 -10.220 436 HD21 LEU 577 3HD2 LEU 577 14.974 13.755 -7.659 437 HD22 LEU 577 1HD2 LEU 577 15.159 14.528 -9.233 438 HD23 LEU 577 2HD2 LEU 577 15.659 12.851 -9.010 439 H ALA 578 H ALA 578 11.815 16.174 -5.592 440 HA ALA 578 HA ALA 578 10.190 14.676 -3.921 441 HB1 ALA 578 3HB ALA 578 9.912 17.648 -3.989 442 HB2 ALA 578 1HB ALA 578 9.991 16.558 -2.605 443 HB3 ALA 578 2HB ALA 578 11.450 16.920 -3.527 444 H GLY 579 H GLY 579 9.166 17.292 -6.129 445 HA2 GLY 579 1HA GLY 579 6.443 17.174 -5.722 446 HA3 GLY 579 2HA GLY 579 7.186 17.609 -7.254 447 H LYS 580 H LYS 580 8.300 15.306 -8.119 448 HA LYS 580 HA LYS 580 6.096 13.888 -9.146 449 HB2 LYS 580 1HB LYS 580 9.007 13.072 -9.066 450 HB3 LYS 580 2HB LYS 580 7.770 12.350 -10.087 451 HG2 LYS 580 1HG LYS 580 8.755 15.193 -10.216 452 HG3 LYS 580 2HG LYS 580 9.122 13.898 -11.359 453 HD2 LYS 580 1HD LYS 580 6.380 15.028 -10.795 454 HD3 LYS 580 2HD LYS 580 7.372 15.391 -12.209 455 HE2 LYS 580 1HE LYS 580 7.334 12.983 -12.793 456 HE3 LYS 580 2HE LYS 580 6.244 12.702 -11.436 457 HZ1 LYS 580 3HZ LYS 580 5.020 14.699 -12.775 458 HZ2 LYS 580 1HZ LYS 580 4.645 13.056 -12.933 459 HZ3 LYS 580 2HZ LYS 580 5.688 13.796 -14.040 460 H ILE 581 H ILE 581 8.491 13.012 -6.670 461 HA ILE 581 HA ILE 581 7.567 10.442 -6.118 462 HB ILE 581 HB ILE 581 8.858 12.427 -4.245 463 HG12 ILE 581 1HG1 ILE 581 10.236 10.057 -5.438 464 HG13 ILE 581 2HG1 ILE 581 9.994 11.485 -6.439 465 HG21 ILE 581 1HG2 ILE 581 8.444 9.456 -3.936 466 HG22 ILE 581 2HG2 ILE 581 9.450 10.454 -2.887 467 HG23 ILE 581 3HG2 ILE 581 7.710 10.730 -2.962 468 HD11 ILE 581 3HD1 ILE 581 11.035 12.698 -4.345 469 HD12 ILE 581 1HD1 ILE 581 11.725 11.100 -4.064 470 HD13 ILE 581 2HD1 ILE 581 12.045 11.945 -5.579 471 H THR 582 H THR 582 6.894 13.390 -4.220 472 HA THR 582 HA THR 582 4.974 12.317 -2.537 473 HB THR 582 HB THR 582 6.020 14.598 -2.334 474 HG1 THR 582 HG1 THR 582 4.331 14.184 -0.963 475 HG21 THR 582 3HG2 THR 582 3.877 15.340 -4.329 476 HG22 THR 582 1HG2 THR 582 5.614 15.361 -4.630 477 HG23 THR 582 2HG2 THR 582 4.909 16.469 -3.453 478 H GLY 583 H GLY 583 4.647 13.533 -5.819 479 HA2 GLY 583 1HA GLY 583 1.848 13.709 -5.938 480 HA3 GLY 583 2HA GLY 583 2.909 13.446 -7.314 481 H MET 584 H MET 584 3.899 11.065 -7.183 482 HA MET 584 HA MET 584 1.731 9.328 -7.679 483 HB2 MET 584 1HB MET 584 4.602 8.537 -7.174 484 HB3 MET 584 2HB MET 584 3.390 7.621 -8.061 485 HG2 MET 584 1HG MET 584 3.394 9.178 -9.847 486 HG3 MET 584 2HG MET 584 4.351 10.333 -8.922 487 HE1 MET 584 3HE MET 584 7.095 10.230 -8.820 488 HE2 MET 584 1HE MET 584 6.533 9.066 -7.619 489 HE3 MET 584 2HE MET 584 7.826 8.626 -8.735 490 H LEU 585 H LEU 585 3.972 9.622 -4.952 491 HA LEU 585 HA LEU 585 3.089 7.381 -3.510 492 HB2 LEU 585 1HB LEU 585 4.575 9.868 -2.873 493 HB3 LEU 585 2HB LEU 585 3.902 8.954 -1.525 494 HG LEU 585 HG LEU 585 5.197 6.998 -2.186 495 HD11 LEU 585 1HD1 LEU 585 6.732 7.004 -3.995 496 HD12 LEU 585 2HD1 LEU 585 6.471 8.721 -4.299 497 HD13 LEU 585 3HD1 LEU 585 5.185 7.561 -4.634 498 HD21 LEU 585 3HD2 LEU 585 7.517 8.504 -2.166 499 HD22 LEU 585 1HD2 LEU 585 6.635 7.916 -0.756 500 HD23 LEU 585 2HD2 LEU 585 6.331 9.540 -1.372 501 H LEU 586 H LEU 586 1.758 10.564 -3.887 502 HA LEU 586 HA LEU 586 -0.038 10.322 -1.635 503 HB2 LEU 586 1HB LEU 586 0.739 12.511 -2.154 504 HB3 LEU 586 2HB LEU 586 0.244 12.351 -3.838 505 HG LEU 586 HG LEU 586 -1.866 12.193 -1.751 506 HD11 LEU 586 1HD1 LEU 586 -0.047 14.381 -1.899 507 HD12 LEU 586 2HD1 LEU 586 -1.478 14.194 -0.886 508 HD13 LEU 586 3HD1 LEU 586 -1.623 14.904 -2.494 509 HD21 LEU 586 3HD2 LEU 586 -2.183 13.881 -4.121 510 HD22 LEU 586 1HD2 LEU 586 -3.232 12.619 -3.474 511 HD23 LEU 586 2HD2 LEU 586 -1.848 12.186 -4.479 512 H GLU 587 H GLU 587 -0.025 9.493 -4.968 513 HA GLU 587 HA GLU 587 -2.874 9.464 -5.314 514 HB2 GLU 587 1HB GLU 587 -0.866 9.558 -7.072 515 HB3 GLU 587 2HB GLU 587 -1.112 7.818 -7.056 516 HG2 GLU 587 1HG GLU 587 -3.291 7.997 -7.874 517 HG3 GLU 587 2HG GLU 587 -3.391 9.713 -7.481 518 H ILE 588 H ILE 588 -0.406 6.902 -5.062 519 HA ILE 588 HA ILE 588 -1.776 4.624 -5.160 520 HB ILE 588 HB ILE 588 -0.418 4.032 -2.905 521 HG12 ILE 588 1HG1 ILE 588 1.271 6.208 -4.103 522 HG13 ILE 588 2HG1 ILE 588 0.127 6.574 -2.816 523 HG21 ILE 588 1HG2 ILE 588 0.854 4.444 -5.607 524 HG22 ILE 588 2HG2 ILE 588 1.409 3.353 -4.339 525 HG23 ILE 588 3HG2 ILE 588 -0.129 3.054 -5.148 526 HD11 ILE 588 3HD1 ILE 588 2.297 4.504 -2.605 527 HD12 ILE 588 1HD1 ILE 588 2.449 6.170 -2.046 528 HD13 ILE 588 2HD1 ILE 588 1.253 5.099 -1.314 529 H ASP 589 H ASP 589 -1.512 6.377 -2.060 530 HA ASP 589 HA ASP 589 -4.201 6.366 -1.400 531 HB2 ASP 589 1HB ASP 589 -2.945 3.771 -1.069 532 HB3 ASP 589 2HB ASP 589 -3.565 4.383 0.462 533 H ASN 590 H ASN 590 -4.063 8.146 -0.199 534 HA ASN 590 HA ASN 590 -1.902 9.038 1.267 535 HB2 ASN 590 1HB ASN 590 -4.854 9.578 1.541 536 HB3 ASN 590 2HB ASN 590 -3.669 10.374 2.572 537 HD21 ASN 590 2HD2 ASN 590 -5.522 10.985 0.096 538 HD22 ASN 590 1HD2 ASN 590 -4.517 12.026 -0.849 539 H SER 591 H SER 591 -4.647 7.082 2.361 540 HA SER 591 HA SER 591 -4.104 7.013 5.078 541 HB2 SER 591 1HB SER 591 -6.032 5.934 3.580 542 HB3 SER 591 2HB SER 591 -5.038 4.493 3.789 543 HG SER 591 HG SER 591 -6.328 6.057 5.751 544 H GLU 592 H GLU 592 -2.740 5.074 2.465 545 HA GLU 592 HA GLU 592 -1.306 3.266 4.093 546 HB2 GLU 592 1HB GLU 592 -1.824 2.981 1.645 547 HB3 GLU 592 2HB GLU 592 -0.561 4.157 1.306 548 HG2 GLU 592 1HG GLU 592 0.130 1.777 1.067 549 HG3 GLU 592 2HG GLU 592 1.122 2.727 2.172 550 H LEU 593 H LEU 593 -0.561 6.451 2.824 551 HA LEU 593 HA LEU 593 2.207 6.408 3.491 552 HB2 LEU 593 1HB LEU 593 0.689 8.962 3.360 553 HB3 LEU 593 2HB LEU 593 2.287 8.568 2.730 554 HG LEU 593 HG LEU 593 -0.364 7.787 1.521 555 HD11 LEU 593 1HD1 LEU 593 -0.165 9.533 0.134 556 HD12 LEU 593 2HD1 LEU 593 1.580 9.338 -0.024 557 HD13 LEU 593 3HD1 LEU 593 0.911 10.187 1.369 558 HD21 LEU 593 3HD2 LEU 593 2.387 7.291 0.404 559 HD22 LEU 593 1HD2 LEU 593 0.841 6.718 -0.221 560 HD23 LEU 593 2HD2 LEU 593 1.469 6.078 1.298 561 H LEU 594 H LEU 594 -0.708 7.535 5.130 562 HA LEU 594 HA LEU 594 0.525 8.849 7.278 563 HB2 LEU 594 1HB LEU 594 -2.145 7.591 6.842 564 HB3 LEU 594 2HB LEU 594 -1.695 8.118 8.463 565 HG LEU 594 HG LEU 594 -1.860 9.876 6.015 566 HD11 LEU 594 1HD1 LEU 594 -4.054 9.189 6.764 567 HD12 LEU 594 2HD1 LEU 594 -3.779 10.880 7.184 568 HD13 LEU 594 3HD1 LEU 594 -3.656 9.633 8.424 569 HD21 LEU 594 3HD2 LEU 594 -0.598 10.224 8.600 570 HD22 LEU 594 1HD2 LEU 594 -1.836 11.443 8.298 571 HD23 LEU 594 2HD2 LEU 594 -0.510 11.231 7.154 572 H HIS 595 H HIS 595 0.361 5.540 6.509 573 HA HIS 595 HA HIS 595 1.172 4.819 9.249 574 HB2 HIS 595 1HB HIS 595 -0.963 3.798 7.943 575 HB3 HIS 595 2HB HIS 595 0.283 2.670 7.417 576 HD1 HIS 595 HD1 HIS 595 -0.054 4.223 10.859 577 HD2 HIS 595 HD2 HIS 595 -0.295 0.520 8.991 578 HE1 HIS 595 HE1 HIS 595 -0.297 2.548 12.718 579 H MET 596 H MET 596 2.173 5.120 6.045 580 HA MET 596 HA MET 596 4.173 3.036 6.115 581 HB2 MET 596 1HB MET 596 3.129 3.631 3.991 582 HB3 MET 596 2HB MET 596 3.712 5.283 4.146 583 HG2 MET 596 1HG MET 596 5.994 3.728 4.377 584 HG3 MET 596 2HG MET 596 5.046 2.937 3.120 585 HE1 MET 596 3HE MET 596 3.715 6.306 2.078 586 HE2 MET 596 1HE MET 596 4.398 5.678 0.578 587 HE3 MET 596 2HE MET 596 3.553 4.594 1.683 588 H LEU 597 H LEU 597 3.966 6.447 6.786 589 HA LEU 597 HA LEU 597 6.752 6.999 6.725 590 HB2 LEU 597 1HB LEU 597 6.221 9.098 7.576 591 HB3 LEU 597 2HB LEU 597 4.803 8.643 6.633 592 HG LEU 597 HG LEU 597 3.966 9.648 8.583 593 HD11 LEU 597 1HD1 LEU 597 3.923 6.681 9.110 594 HD12 LEU 597 2HD1 LEU 597 2.873 7.526 7.973 595 HD13 LEU 597 3HD1 LEU 597 2.766 7.875 9.698 596 HD21 LEU 597 3HD2 LEU 597 6.338 9.081 9.734 597 HD22 LEU 597 1HD2 LEU 597 5.306 7.894 10.532 598 HD23 LEU 597 2HD2 LEU 597 4.912 9.610 10.628 599 H GLU 598 H GLU 598 4.978 5.081 8.766 600 HA GLU 598 HA GLU 598 6.388 5.708 11.213 601 HB2 GLU 598 1HB GLU 598 4.697 3.267 10.704 602 HB3 GLU 598 2HB GLU 598 5.057 4.037 12.243 603 HG2 GLU 598 1HG GLU 598 3.799 6.059 11.318 604 HG3 GLU 598 2HG GLU 598 3.202 4.956 10.079 605 H SER 599 H SER 599 7.351 4.282 8.475 606 HA SER 599 HA SER 599 9.331 2.646 9.879 607 HB2 SER 599 1HB SER 599 7.308 1.313 8.841 608 HB3 SER 599 2HB SER 599 8.180 1.574 7.330 609 HG SER 599 HG SER 599 9.875 0.419 8.099 610 HA PRO 600 HA PRO 600 12.013 4.911 7.189 611 HB2 PRO 600 1HB PRO 600 14.279 3.504 7.697 612 HB3 PRO 600 2HB PRO 600 13.597 4.671 8.836 613 HG2 PRO 600 1HG PRO 600 13.360 1.687 8.811 614 HG3 PRO 600 2HG PRO 600 13.651 2.775 10.181 615 HD2 PRO 600 1HD PRO 600 11.212 1.728 9.644 616 HD3 PRO 600 2HD PRO 600 11.423 3.334 10.373 617 H GLU 601 H GLU 601 12.346 1.356 7.179 618 HA GLU 601 HA GLU 601 13.499 1.129 4.644 619 HB2 GLU 601 1HB GLU 601 13.390 -0.684 6.352 620 HB3 GLU 601 2HB GLU 601 11.680 -0.873 5.991 621 HG2 GLU 601 1HG GLU 601 12.337 -1.357 3.619 622 HG3 GLU 601 2HG GLU 601 14.010 -1.403 4.171 623 H SER 602 H SER 602 10.267 1.818 5.580 624 HA SER 602 HA SER 602 9.112 1.027 3.040 625 HB2 SER 602 1HB SER 602 7.881 2.499 5.383 626 HB3 SER 602 2HB SER 602 7.002 1.880 3.985 627 HG SER 602 HG SER 602 8.612 0.134 5.479 628 H LEU 603 H LEU 603 9.519 4.075 4.842 629 HA LEU 603 HA LEU 603 8.567 5.830 2.934 630 HB2 LEU 603 1HB LEU 603 9.131 6.510 5.193 631 HB3 LEU 603 2HB LEU 603 10.840 6.221 4.875 632 HG LEU 603 HG LEU 603 9.922 8.646 4.872 633 HD11 LEU 603 1HD1 LEU 603 12.130 7.460 3.822 634 HD12 LEU 603 2HD1 LEU 603 11.839 9.199 3.853 635 HD13 LEU 603 3HD1 LEU 603 11.457 8.268 2.406 636 HD21 LEU 603 3HD2 LEU 603 9.101 9.430 2.745 637 HD22 LEU 603 1HD2 LEU 603 8.046 8.147 3.339 638 HD23 LEU 603 2HD2 LEU 603 9.215 7.806 2.063 639 H ARG 604 H ARG 604 11.988 4.946 3.447 640 HA ARG 604 HA ARG 604 12.991 6.264 1.194 641 HB2 ARG 604 1HB ARG 604 13.994 3.941 2.821 642 HB3 ARG 604 2HB ARG 604 14.884 4.526 1.422 643 HG2 ARG 604 1HG ARG 604 14.073 6.381 3.628 644 HG3 ARG 604 2HG ARG 604 15.537 5.402 3.738 645 HD2 ARG 604 1HD ARG 604 14.943 7.204 1.404 646 HD3 ARG 604 2HD ARG 604 15.822 7.747 2.832 647 HE ARG 604 HE ARG 604 16.937 5.376 1.685 648 HH11 ARG 604 1HH1 ARG 604 16.824 8.847 1.449 649 HH12 ARG 604 2HH1 ARG 604 18.374 8.976 0.685 650 HH21 ARG 604 1HH2 ARG 604 18.979 5.533 0.680 651 HH22 ARG 604 2HH2 ARG 604 19.598 7.090 0.247 652 H SER 605 H SER 605 11.625 3.050 1.581 653 HA SER 605 HA SER 605 12.407 1.920 -0.847 654 HB2 SER 605 1HB SER 605 10.299 1.406 1.156 655 HB3 SER 605 2HB SER 605 9.965 0.786 -0.461 656 HG SER 605 HG SER 605 12.282 -0.024 -0.224 657 H LYS 606 H LYS 606 9.411 3.674 -0.056 658 HA LYS 606 HA LYS 606 8.321 3.601 -2.649 659 HB2 LYS 606 1HB LYS 606 7.863 5.341 -0.246 660 HB3 LYS 606 2HB LYS 606 7.059 5.699 -1.768 661 HG2 LYS 606 1HG LYS 606 6.872 3.069 -0.316 662 HG3 LYS 606 2HG LYS 606 5.681 4.367 -0.210 663 HD2 LYS 606 1HD LYS 606 6.490 2.933 -2.740 664 HD3 LYS 606 2HD LYS 606 5.015 2.631 -1.818 665 HE2 LYS 606 1HE LYS 606 4.366 4.998 -2.186 666 HE3 LYS 606 2HE LYS 606 5.789 5.195 -3.207 667 HZ1 LYS 606 3HZ LYS 606 3.658 4.719 -4.402 668 HZ2 LYS 606 1HZ LYS 606 3.696 3.165 -3.735 669 HZ3 LYS 606 2HZ LYS 606 4.933 3.670 -4.772 670 H VAL 607 H VAL 607 10.113 6.185 -0.974 671 HA VAL 607 HA VAL 607 10.144 8.078 -2.985 672 HB VAL 607 HB VAL 607 12.337 7.451 -1.003 673 HG11 VAL 607 1HG1 VAL 607 13.572 8.967 -2.058 674 HG12 VAL 607 2HG1 VAL 607 12.265 9.305 -3.195 675 HG13 VAL 607 3HG1 VAL 607 12.350 10.176 -1.663 676 HG21 VAL 607 3HG2 VAL 607 11.305 8.883 0.485 677 HG22 VAL 607 1HG2 VAL 607 10.405 9.718 -0.780 678 HG23 VAL 607 2HG2 VAL 607 9.918 8.101 -0.273 679 H ASP 608 H ASP 608 12.589 5.555 -2.381 680 HA ASP 608 HA ASP 608 14.241 6.116 -4.553 681 HB2 ASP 608 1HB ASP 608 14.775 4.567 -2.657 682 HB3 ASP 608 2HB ASP 608 13.708 3.375 -3.393 683 H GLU 609 H GLU 609 11.585 3.752 -4.333 684 HA GLU 609 HA GLU 609 11.711 2.775 -6.929 685 HB2 GLU 609 1HB GLU 609 9.388 3.106 -5.038 686 HB3 GLU 609 2HB GLU 609 9.217 2.330 -6.606 687 HG2 GLU 609 1HG GLU 609 11.347 1.367 -4.772 688 HG3 GLU 609 2HG GLU 609 9.672 0.940 -4.426 689 H ALA 610 H ALA 610 9.695 5.436 -5.684 690 HA ALA 610 HA ALA 610 8.429 6.169 -8.022 691 HB1 ALA 610 3HB ALA 610 7.557 7.655 -6.627 692 HB2 ALA 610 1HB ALA 610 8.809 7.290 -5.439 693 HB3 ALA 610 2HB ALA 610 9.072 8.557 -6.638 694 H VAL 611 H VAL 611 11.395 7.683 -6.729 695 HA VAL 611 HA VAL 611 11.992 9.321 -8.860 696 HB VAL 611 HB VAL 611 14.033 7.828 -7.208 697 HG11 VAL 611 1HG1 VAL 611 15.610 9.139 -8.102 698 HG12 VAL 611 2HG1 VAL 611 14.432 9.457 -9.377 699 HG13 VAL 611 3HG1 VAL 611 14.591 10.575 -8.021 700 HG21 VAL 611 3HG2 VAL 611 13.640 10.468 -6.271 701 HG22 VAL 611 1HG2 VAL 611 12.052 9.712 -6.402 702 HG23 VAL 611 2HG2 VAL 611 13.313 8.952 -5.432 703 H ALA 612 H ALA 612 12.818 5.907 -8.426 704 HA ALA 612 HA ALA 612 14.457 5.600 -10.673 705 HB1 ALA 612 3HB ALA 612 14.302 3.310 -10.327 706 HB2 ALA 612 1HB ALA 612 13.990 3.975 -8.724 707 HB3 ALA 612 2HB ALA 612 12.649 3.411 -9.722 708 H VAL 613 H VAL 613 10.947 5.270 -10.313 709 HA VAL 613 HA VAL 613 10.414 4.366 -12.926 710 HB VAL 613 HB VAL 613 8.629 5.932 -11.058 711 HG11 VAL 613 1HG1 VAL 613 8.259 5.207 -13.779 712 HG12 VAL 613 2HG1 VAL 613 7.175 4.224 -12.793 713 HG13 VAL 613 3HG1 VAL 613 7.118 5.984 -12.682 714 HG21 VAL 613 3HG2 VAL 613 8.899 4.027 -9.863 715 HG22 VAL 613 1HG2 VAL 613 7.681 3.426 -10.988 716 HG23 VAL 613 2HG2 VAL 613 9.388 3.083 -11.270 717 H LEU 614 H LEU 614 10.646 7.605 -11.542 718 HA LEU 614 HA LEU 614 9.634 9.135 -13.597 719 HB2 LEU 614 1HB LEU 614 12.059 9.761 -11.918 720 HB3 LEU 614 2HB LEU 614 11.089 10.929 -12.813 721 HG LEU 614 HG LEU 614 10.283 9.359 -10.370 722 HD11 LEU 614 1HD1 LEU 614 10.221 11.420 -9.260 723 HD12 LEU 614 2HD1 LEU 614 10.288 12.334 -10.766 724 HD13 LEU 614 3HD1 LEU 614 11.713 11.463 -10.200 725 HD21 LEU 614 3HD2 LEU 614 8.422 9.451 -11.966 726 HD22 LEU 614 1HD2 LEU 614 8.595 11.204 -12.057 727 HD23 LEU 614 2HD2 LEU 614 8.114 10.443 -10.540 728 H GLN 615 H GLN 615 12.767 7.564 -13.359 729 HA GLN 615 HA GLN 615 14.147 8.803 -15.405 730 HB2 GLN 615 1HB GLN 615 15.133 7.128 -13.897 731 HB3 GLN 615 2HB GLN 615 14.195 5.867 -14.686 732 HG2 GLN 615 1HG GLN 615 15.398 6.728 -16.838 733 HG3 GLN 615 2HG GLN 615 16.561 7.374 -15.682 734 HE21 GLN 615 2HE2 GLN 615 14.921 4.420 -16.685 735 HE22 GLN 615 1HE2 GLN 615 16.184 3.341 -16.209 736 H ALA 616 H ALA 616 11.552 6.478 -15.579 737 HA ALA 616 HA ALA 616 11.862 5.660 -18.250 738 HB1 ALA 616 3HB ALA 616 9.366 5.862 -16.571 739 HB2 ALA 616 1HB ALA 616 9.478 5.026 -18.120 740 HB3 ALA 616 2HB ALA 616 10.417 4.456 -16.740 741 H HIS 617 H HIS 617 10.408 8.506 -16.821 742 HA HIS 617 HA HIS 617 9.519 9.408 -19.471 743 HB2 HIS 617 1HB HIS 617 7.980 9.404 -17.390 744 HB3 HIS 617 2HB HIS 617 8.907 10.813 -16.883 745 HD1 HIS 617 HD1 HIS 617 5.994 11.260 -17.373 746 HD2 HIS 617 HD2 HIS 617 8.830 11.570 -20.393 747 HE1 HIS 617 HE1 HIS 617 4.945 12.719 -19.132 748 H GLN 618 H GLN 618 10.817 11.033 -16.573 749 HA GLN 618 HA GLN 618 12.906 12.253 -18.206 750 HB2 GLN 618 1HB GLN 618 10.821 13.801 -16.670 751 HB3 GLN 618 2HB GLN 618 12.351 14.502 -17.179 752 HG2 GLN 618 1HG GLN 618 10.514 13.202 -19.152 753 HG3 GLN 618 2HG GLN 618 10.277 14.873 -18.640 754 HE21 GLN 618 2HE2 GLN 618 10.804 15.929 -20.463 755 HE22 GLN 618 1HE2 GLN 618 12.351 15.856 -21.227 756 H ALA 619 H ALA 619 14.776 12.142 -17.165 757 HA ALA 619 HA ALA 619 15.126 11.074 -14.636 758 HB1 ALA 619 3HB ALA 619 17.007 11.020 -15.995 759 HB2 ALA 619 1HB ALA 619 16.890 12.734 -16.395 760 HB3 ALA 619 2HB ALA 619 17.426 12.237 -14.789 761 H LYS 620 H LYS 620 15.950 14.457 -15.382 762 HA LYS 620 HA LYS 620 15.022 15.176 -12.680 763 HB2 LYS 620 1HB LYS 620 17.529 15.462 -13.575 764 HB3 LYS 620 2HB LYS 620 16.860 16.975 -14.172 765 HG2 LYS 620 1HG LYS 620 16.297 17.694 -11.988 766 HG3 LYS 620 2HG LYS 620 16.612 16.096 -11.309 767 HD2 LYS 620 1HD LYS 620 18.998 16.355 -11.972 768 HD3 LYS 620 2HD LYS 620 18.634 18.007 -12.476 769 HE2 LYS 620 1HE LYS 620 18.120 18.667 -10.264 770 HE3 LYS 620 2HE LYS 620 18.068 16.997 -9.700 771 HZ1 LYS 620 3HZ LYS 620 20.591 17.460 -10.807 772 HZ2 LYS 620 1HZ LYS 620 20.201 17.150 -9.190 773 HZ3 LYS 620 2HZ LYS 620 20.257 18.743 -9.756 774 H GLU 621 H GLU 621 14.683 15.763 -16.057 775 HA GLU 621 HA GLU 621 13.320 18.293 -15.735 776 HB2 GLU 621 1HB GLU 621 14.737 17.626 -17.745 777 HB3 GLU 621 2HB GLU 621 13.400 16.588 -18.220 778 HG2 GLU 621 1HG GLU 621 13.265 18.656 -19.422 779 HG3 GLU 621 2HG GLU 621 11.927 18.562 -18.279 780 H ALA 622 H ALA 622 11.959 16.757 -14.129 781 HA ALA 622 HA ALA 622 9.664 15.663 -15.595 782 HB1 ALA 622 3HB ALA 622 9.115 14.428 -13.666 783 HB2 ALA 622 1HB ALA 622 10.867 14.308 -13.821 784 HB3 ALA 622 2HB ALA 622 10.160 15.412 -12.641 785 H ALA 623 H ALA 623 8.669 17.630 -16.144 786 HA ALA 623 HA ALA 623 7.206 18.856 -13.924 787 HB1 ALA 623 3HB ALA 623 7.649 21.098 -14.676 788 HB2 ALA 623 1HB ALA 623 9.182 20.276 -14.389 789 HB3 ALA 623 2HB ALA 623 8.595 20.497 -16.037 Start of MODEL 15 1 H1 ALA 64 1H ALA 64 -3.020 -0.710 -1.631 2 HA ALA 64 HA ALA 64 -0.989 0.879 -3.058 3 HB1 ALA 64 3HB ALA 64 -0.081 -0.528 -0.667 4 HB2 ALA 64 1HB ALA 64 0.152 1.151 -1.155 5 HB3 ALA 64 2HB ALA 64 -1.342 0.664 -0.352 6 H PHE 65 H PHE 65 1.166 -0.307 -3.228 7 HA PHE 65 HA PHE 65 0.887 -3.189 -3.573 8 HB2 PHE 65 1HB PHE 65 2.017 -2.924 -5.873 9 HB3 PHE 65 2HB PHE 65 0.295 -2.574 -5.760 10 HD1 PHE 65 HD1 PHE 65 3.527 -0.755 -5.314 11 HD2 PHE 65 HD2 PHE 65 -0.429 -0.721 -6.885 12 HE1 PHE 65 HE1 PHE 65 3.926 1.481 -6.260 13 HE2 PHE 65 HE2 PHE 65 -0.036 1.515 -7.835 14 HZ PHE 65 HZ PHE 65 2.144 2.618 -7.524 15 H SER 66 H SER 66 3.178 -3.915 -4.653 16 HA SER 66 HA SER 66 5.239 -2.669 -2.953 17 HB2 SER 66 1HB SER 66 4.800 -4.880 -2.133 18 HB3 SER 66 2HB SER 66 4.865 -5.559 -3.759 19 HG SER 66 HG SER 66 6.888 -5.890 -3.310 20 H ARG 67 H ARG 67 4.630 -4.299 -6.037 21 HA ARG 67 HA ARG 67 7.196 -4.021 -7.127 22 HB2 ARG 67 1HB ARG 67 4.496 -4.157 -8.476 23 HB3 ARG 67 2HB ARG 67 6.027 -4.241 -9.336 24 HG2 ARG 67 1HG ARG 67 5.612 -6.458 -9.121 25 HG3 ARG 67 2HG ARG 67 6.469 -6.193 -7.602 26 HD2 ARG 67 1HD ARG 67 4.528 -6.273 -6.343 27 HD3 ARG 67 2HD ARG 67 3.501 -5.869 -7.718 28 HE ARG 67 HE ARG 67 4.643 -8.319 -8.291 29 HH11 ARG 67 1HH1 ARG 67 2.557 -6.978 -5.848 30 HH12 ARG 67 2HH1 ARG 67 1.730 -8.471 -5.550 31 HH21 ARG 67 1HH2 ARG 67 3.561 -10.290 -7.908 32 HH22 ARG 67 2HH2 ARG 67 2.303 -10.355 -6.722 33 H GLN 68 H GLN 68 7.203 -2.693 -9.419 34 HA GLN 68 HA GLN 68 7.705 -0.055 -8.744 35 HB2 GLN 68 1HB GLN 68 7.992 0.372 -11.057 36 HB3 GLN 68 2HB GLN 68 8.469 -1.304 -10.813 37 HG2 GLN 68 1HG GLN 68 5.884 -1.659 -11.424 38 HG3 GLN 68 2HG GLN 68 6.202 -0.174 -12.319 39 HE21 GLN 68 2HE2 GLN 68 6.625 -3.549 -12.190 40 HE22 GLN 68 1HE2 GLN 68 7.567 -3.723 -13.627 41 H LEU 69 H LEU 69 6.598 1.847 -9.967 42 HA LEU 69 HA LEU 69 3.677 1.587 -9.709 43 HB2 LEU 69 1HB LEU 69 3.690 3.941 -8.846 44 HB3 LEU 69 2HB LEU 69 4.353 2.727 -7.755 45 HG LEU 69 HG LEU 69 6.645 3.482 -8.705 46 HD11 LEU 69 1HD1 LEU 69 6.622 5.909 -9.300 47 HD12 LEU 69 2HD1 LEU 69 4.870 5.794 -9.460 48 HD13 LEU 69 3HD1 LEU 69 5.915 4.846 -10.518 49 HD21 LEU 69 3HD2 LEU 69 6.553 4.011 -6.522 50 HD22 LEU 69 1HD2 LEU 69 4.911 4.645 -6.638 51 HD23 LEU 69 2HD2 LEU 69 6.279 5.648 -7.120 52 H ASN 70 H ASN 70 2.762 3.909 -10.556 53 HA ASN 70 HA ASN 70 3.784 4.097 -13.303 54 HB2 ASN 70 1HB ASN 70 1.585 4.966 -13.902 55 HB3 ASN 70 2HB ASN 70 1.417 3.438 -13.044 56 HD21 ASN 70 2HD2 ASN 70 -0.553 5.495 -13.371 57 HD22 ASN 70 1HD2 ASN 70 -0.978 6.042 -11.788 58 H VAL 71 H VAL 71 4.527 5.973 -14.132 59 HA VAL 71 HA VAL 71 4.964 8.170 -12.286 60 HB VAL 71 HB VAL 71 6.782 7.342 -13.781 61 HG11 VAL 71 1HG1 VAL 71 6.538 7.162 -15.986 62 HG12 VAL 71 2HG1 VAL 71 4.824 7.508 -15.749 63 HG13 VAL 71 3HG1 VAL 71 5.946 8.817 -16.121 64 HG21 VAL 71 3HG2 VAL 71 6.582 9.704 -12.806 65 HG22 VAL 71 1HG2 VAL 71 7.719 9.457 -14.132 66 HG23 VAL 71 2HG2 VAL 71 6.151 10.202 -14.442 67 H ASN 72 H ASN 72 2.788 7.338 -14.786 68 HA ASN 72 HA ASN 72 2.152 9.951 -15.708 69 HB2 ASN 72 1HB ASN 72 1.000 7.231 -15.997 70 HB3 ASN 72 2HB ASN 72 -0.096 8.582 -16.267 71 HD21 ASN 72 2HD2 ASN 72 2.379 6.669 -17.554 72 HD22 ASN 72 1HD2 ASN 72 2.615 7.538 -19.029 73 H ALA 73 H ALA 73 1.348 8.178 -12.888 74 HA ALA 73 HA ALA 73 -1.148 9.114 -12.185 75 HB1 ALA 73 3HB ALA 73 -0.623 8.570 -9.951 76 HB2 ALA 73 1HB ALA 73 0.306 7.451 -10.948 77 HB3 ALA 73 2HB ALA 73 1.101 8.841 -10.209 78 H LYS 74 H LYS 74 -1.963 11.065 -11.825 79 HA LYS 74 HA LYS 74 -0.595 13.445 -12.114 80 HB2 LYS 74 1HB LYS 74 -3.218 12.674 -10.947 81 HB3 LYS 74 2HB LYS 74 -2.622 14.287 -10.581 82 HG2 LYS 74 1HG LYS 74 -2.243 14.375 -13.184 83 HG3 LYS 74 2HG LYS 74 -3.489 13.124 -13.174 84 HD2 LYS 74 1HD LYS 74 -3.884 15.658 -11.631 85 HD3 LYS 74 2HD LYS 74 -4.182 15.622 -13.370 86 HE2 LYS 74 1HE LYS 74 -5.411 13.638 -11.474 87 HE3 LYS 74 2HE LYS 74 -6.174 15.182 -11.854 88 HZ1 LYS 74 3HZ LYS 74 -5.403 13.172 -13.896 89 HZ2 LYS 74 1HZ LYS 74 -6.318 14.575 -14.138 90 HZ3 LYS 74 2HZ LYS 74 -6.954 13.296 -13.233 91 HA PRO 75 HA PRO 75 1.517 14.323 -8.370 92 HB2 PRO 75 1HB PRO 75 1.077 16.984 -8.059 93 HB3 PRO 75 2HB PRO 75 2.146 16.326 -9.303 94 HG2 PRO 75 1HG PRO 75 -0.689 17.256 -9.540 95 HG3 PRO 75 2HG PRO 75 0.677 17.544 -10.633 96 HD2 PRO 75 1HD PRO 75 -1.208 15.663 -11.122 97 HD3 PRO 75 2HD PRO 75 0.484 15.472 -11.623 98 H PHE 76 H PHE 76 -0.796 16.857 -7.798 99 HA PHE 76 HA PHE 76 -2.558 15.446 -6.098 100 HB2 PHE 76 1HB PHE 76 -1.804 16.179 -3.924 101 HB3 PHE 76 2HB PHE 76 -0.487 15.317 -4.713 102 HD1 PHE 76 HD1 PHE 76 1.190 16.831 -6.044 103 HD2 PHE 76 HD2 PHE 76 -1.373 18.209 -2.937 104 HE1 PHE 76 HE1 PHE 76 2.671 18.763 -5.683 105 HE2 PHE 76 HE2 PHE 76 0.103 20.143 -2.572 106 HZ PHE 76 HZ PHE 76 2.128 20.422 -3.946 107 H VAL 77 H VAL 77 -3.292 17.373 -4.298 108 HA VAL 77 HA VAL 77 -4.345 19.434 -6.081 109 HB VAL 77 HB VAL 77 -5.122 18.714 -3.251 110 HG11 VAL 77 1HG1 VAL 77 -7.197 20.122 -4.050 111 HG12 VAL 77 2HG1 VAL 77 -5.778 20.908 -3.354 112 HG13 VAL 77 3HG1 VAL 77 -6.000 20.873 -5.104 113 HG21 VAL 77 3HG2 VAL 77 -6.890 18.342 -5.621 114 HG22 VAL 77 1HG2 VAL 77 -5.613 17.165 -5.315 115 HG23 VAL 77 2HG2 VAL 77 -6.851 17.461 -4.094 116 HA PRO 78 HA PRO 78 -1.187 22.131 -4.343 117 HB2 PRO 78 1HB PRO 78 -1.620 24.147 -6.110 118 HB3 PRO 78 2HB PRO 78 -0.665 22.712 -6.504 119 HG2 PRO 78 1HG PRO 78 -3.519 23.329 -7.166 120 HG3 PRO 78 2HG PRO 78 -2.262 22.613 -8.192 121 HD2 PRO 78 1HD PRO 78 -4.168 21.127 -6.971 122 HD3 PRO 78 2HD PRO 78 -2.528 20.517 -7.271 123 H ASN 79 H ASN 79 -1.408 24.759 -4.152 124 HA ASN 79 HA ASN 79 -3.675 25.112 -2.354 125 HB2 ASN 79 1HB ASN 79 -1.564 27.194 -2.789 126 HB3 ASN 79 2HB ASN 79 -2.464 26.809 -1.325 127 HD21 ASN 79 2HD2 ASN 79 0.445 27.049 -1.913 128 HD22 ASN 79 1HD2 ASN 79 1.136 25.571 -1.346 129 H VAL 80 H VAL 80 -4.515 25.015 -4.948 130 HA VAL 80 HA VAL 80 -5.547 27.719 -5.310 131 HB VAL 80 HB VAL 80 -5.184 27.562 -7.792 132 HG11 VAL 80 1HG1 VAL 80 -2.745 28.183 -7.645 133 HG12 VAL 80 2HG1 VAL 80 -3.824 29.073 -6.569 134 HG13 VAL 80 3HG1 VAL 80 -2.825 27.766 -5.934 135 HG21 VAL 80 3HG2 VAL 80 -3.147 25.460 -7.075 136 HG22 VAL 80 1HG2 VAL 80 -4.730 25.097 -7.764 137 HG23 VAL 80 2HG2 VAL 80 -3.565 26.052 -8.683 138 H HIS 81 H HIS 81 -7.485 27.813 -6.557 139 HA HIS 81 HA HIS 81 -9.027 25.354 -6.387 140 HB2 HIS 81 1HB HIS 81 -9.985 27.447 -5.512 141 HB3 HIS 81 2HB HIS 81 -9.894 28.160 -7.120 142 HD1 HIS 81 HD1 HIS 81 -11.485 27.052 -8.959 143 HD2 HIS 81 HD2 HIS 81 -12.242 25.978 -5.017 144 HE1 HIS 81 HE1 HIS 81 -13.791 26.049 -8.966 145 H ALA 82 H ALA 82 -7.770 27.559 -8.806 146 HA ALA 82 HA ALA 82 -8.979 25.931 -10.932 147 HB1 ALA 82 3HB ALA 82 -9.422 27.893 -11.869 148 HB2 ALA 82 1HB ALA 82 -8.494 28.744 -10.634 149 HB3 ALA 82 2HB ALA 82 -7.689 28.136 -12.081 150 H1 GLY 541 1H GLY 541 11.577 21.110 13.068 151 HA2 GLY 541 1HA GLY 541 10.302 23.560 12.268 152 HA3 GLY 541 2HA GLY 541 9.889 22.206 11.227 153 H GLN 542 H GLN 542 7.783 23.197 12.341 154 HA GLN 542 HA GLN 542 7.166 21.376 14.567 155 HB2 GLN 542 1HB GLN 542 7.070 24.257 14.551 156 HB3 GLN 542 2HB GLN 542 5.462 23.598 14.820 157 HG2 GLN 542 1HG GLN 542 6.035 22.635 16.816 158 HG3 GLN 542 2HG GLN 542 7.741 22.506 16.388 159 HE21 GLN 542 2HE2 GLN 542 8.541 24.926 15.776 160 HE22 GLN 542 1HE2 GLN 542 8.298 26.041 17.072 161 H GLU 543 H GLU 543 4.568 21.579 14.869 162 HA GLU 543 HA GLU 543 2.555 20.921 14.037 163 HB2 GLU 543 1HB GLU 543 2.979 23.190 12.823 164 HB3 GLU 543 2HB GLU 543 3.241 22.185 11.405 165 HG2 GLU 543 1HG GLU 543 0.986 22.881 11.353 166 HG3 GLU 543 2HG GLU 543 0.986 21.179 11.811 167 HA PRO 544 HA PRO 544 4.643 17.434 11.780 168 HB2 PRO 544 1HB PRO 544 3.773 15.502 13.477 169 HB3 PRO 544 2HB PRO 544 5.258 16.421 13.748 170 HG2 PRO 544 1HG PRO 544 2.544 16.810 14.949 171 HG3 PRO 544 2HG PRO 544 4.134 16.873 15.732 172 HD2 PRO 544 1HD PRO 544 2.770 19.102 15.022 173 HD3 PRO 544 2HD PRO 544 4.544 19.023 15.010 174 H LEU 545 H LEU 545 3.604 15.472 10.868 175 HA LEU 545 HA LEU 545 0.827 16.062 10.164 176 HB2 LEU 545 1HB LEU 545 2.547 15.709 8.395 177 HB3 LEU 545 2HB LEU 545 2.704 14.042 8.946 178 HG LEU 545 HG LEU 545 0.440 13.558 8.265 179 HD11 LEU 545 1HD1 LEU 545 0.212 16.446 8.262 180 HD12 LEU 545 2HD1 LEU 545 -1.046 15.211 8.332 181 HD13 LEU 545 3HD1 LEU 545 -0.404 15.728 6.773 182 HD21 LEU 545 3HD2 LEU 545 0.808 13.476 5.990 183 HD22 LEU 545 1HD2 LEU 545 2.445 13.707 6.606 184 HD23 LEU 545 2HD2 LEU 545 1.551 15.076 5.944 185 H THR 546 H THR 546 -0.812 14.492 10.256 186 HA THR 546 HA THR 546 -0.372 11.891 11.349 187 HB THR 546 HB THR 546 -0.146 13.158 13.428 188 HG1 THR 546 HG1 THR 546 -1.186 11.141 13.568 189 HG21 THR 546 3HG2 THR 546 -2.952 14.142 12.900 190 HG22 THR 546 1HG2 THR 546 -1.493 15.120 12.740 191 HG23 THR 546 2HG2 THR 546 -1.963 14.489 14.319 192 H ALA 547 H ALA 547 -2.394 10.684 11.625 193 HA ALA 547 HA ALA 547 -4.175 11.096 9.499 194 HB1 ALA 547 3HB ALA 547 -3.966 8.891 10.243 195 HB2 ALA 547 1HB ALA 547 -4.265 9.333 11.924 196 HB3 ALA 547 2HB ALA 547 -5.585 9.367 10.754 197 H SER 548 H SER 548 -4.157 12.313 12.733 198 HA SER 548 HA SER 548 -6.824 12.814 13.233 199 HB2 SER 548 1HB SER 548 -4.668 13.323 14.643 200 HB3 SER 548 2HB SER 548 -4.788 14.914 13.892 201 HG SER 548 HG SER 548 -6.094 14.063 15.988 202 H MET 549 H MET 549 -4.520 14.881 11.479 203 HA MET 549 HA MET 549 -6.253 16.984 10.899 204 HB2 MET 549 1HB MET 549 -3.790 15.912 9.566 205 HB3 MET 549 2HB MET 549 -4.696 17.219 8.816 206 HG2 MET 549 1HG MET 549 -4.469 18.189 11.309 207 HG3 MET 549 2HG MET 549 -3.000 17.220 11.222 208 HE1 MET 549 3HE MET 549 -1.125 18.473 8.276 209 HE2 MET 549 1HE MET 549 -2.083 17.060 8.719 210 HE3 MET 549 2HE MET 549 -2.683 18.184 7.500 211 H LEU 550 H LEU 550 -5.793 13.892 9.295 212 HA LEU 550 HA LEU 550 -7.714 14.622 7.216 213 HB2 LEU 550 1HB LEU 550 -5.769 12.382 7.584 214 HB3 LEU 550 2HB LEU 550 -7.115 12.205 6.460 215 HG LEU 550 HG LEU 550 -6.244 14.368 5.384 216 HD11 LEU 550 1HD1 LEU 550 -4.659 15.310 6.700 217 HD12 LEU 550 2HD1 LEU 550 -3.606 14.270 5.742 218 HD13 LEU 550 3HD1 LEU 550 -4.118 13.763 7.352 219 HD21 LEU 550 3HD2 LEU 550 -6.098 12.212 4.299 220 HD22 LEU 550 1HD2 LEU 550 -4.663 11.804 5.239 221 HD23 LEU 550 2HD2 LEU 550 -4.598 13.107 4.051 222 H ALA 551 H ALA 551 -8.448 14.182 10.058 223 HA ALA 551 HA ALA 551 -10.218 11.849 9.755 224 HB1 ALA 551 3HB ALA 551 -8.643 11.808 11.673 225 HB2 ALA 551 1HB ALA 551 -9.442 13.245 12.311 226 HB3 ALA 551 2HB ALA 551 -10.339 11.735 12.152 227 H SER 552 H SER 552 -10.101 15.279 10.198 228 HA SER 552 HA SER 552 -13.046 15.340 10.267 229 HB2 SER 552 1HB SER 552 -11.854 16.054 12.427 230 HB3 SER 552 2HB SER 552 -11.324 17.473 11.524 231 HG SER 552 HG SER 552 -13.194 18.147 12.340 232 H ALA 553 H ALA 553 -11.250 15.397 7.982 233 HA ALA 553 HA ALA 553 -11.998 18.037 6.914 234 HB1 ALA 553 3HB ALA 553 -9.754 18.402 6.991 235 HB2 ALA 553 1HB ALA 553 -9.357 16.688 6.873 236 HB3 ALA 553 2HB ALA 553 -9.844 17.582 5.432 237 HA PRO 554 HA PRO 554 -13.834 15.962 3.512 238 HB2 PRO 554 1HB PRO 554 -13.226 17.598 1.433 239 HB3 PRO 554 2HB PRO 554 -14.402 18.027 2.682 240 HG2 PRO 554 1HG PRO 554 -11.537 18.853 2.414 241 HG3 PRO 554 2HG PRO 554 -12.947 19.832 2.858 242 HD2 PRO 554 1HD PRO 554 -11.203 18.874 4.694 243 HD3 PRO 554 2HD PRO 554 -12.930 19.095 5.041 244 HA PRO 555 HA PRO 555 -11.030 13.437 1.253 245 HB2 PRO 555 1HB PRO 555 -12.253 13.160 -1.154 246 HB3 PRO 555 2HB PRO 555 -12.849 12.388 0.320 247 HG2 PRO 555 1HG PRO 555 -13.781 14.902 -1.012 248 HG3 PRO 555 2HG PRO 555 -14.740 13.591 -0.301 249 HD2 PRO 555 1HD PRO 555 -14.277 15.925 0.992 250 HD3 PRO 555 2HD PRO 555 -14.456 14.379 1.847 251 H GLN 556 H GLN 556 -11.607 16.625 0.283 252 HA GLN 556 HA GLN 556 -9.693 16.529 -1.922 253 HB2 GLN 556 1HB GLN 556 -10.302 18.994 -2.111 254 HB3 GLN 556 2HB GLN 556 -11.580 17.838 -2.464 255 HG2 GLN 556 1HG GLN 556 -12.597 18.211 -0.335 256 HG3 GLN 556 2HG GLN 556 -11.240 19.204 0.193 257 HE21 GLN 556 2HE2 GLN 556 -10.852 21.194 -1.045 258 HE22 GLN 556 1HE2 GLN 556 -12.216 22.056 -1.662 259 H GLU 557 H GLU 557 -10.125 18.020 1.258 260 HA GLU 557 HA GLU 557 -7.667 19.450 1.217 261 HB2 GLU 557 1HB GLU 557 -9.799 19.734 2.727 262 HB3 GLU 557 2HB GLU 557 -8.967 18.591 3.772 263 HG2 GLU 557 1HG GLU 557 -6.987 20.151 3.696 264 HG3 GLU 557 2HG GLU 557 -8.055 21.323 2.927 265 H GLN 558 H GLN 558 -8.446 16.175 1.700 266 HA GLN 558 HA GLN 558 -6.469 15.367 3.513 267 HB2 GLN 558 1HB GLN 558 -7.754 13.880 1.220 268 HB3 GLN 558 2HB GLN 558 -6.707 13.123 2.413 269 HG2 GLN 558 1HG GLN 558 -8.615 14.500 3.901 270 HG3 GLN 558 2HG GLN 558 -9.507 13.767 2.569 271 HE21 GLN 558 2HE2 GLN 558 -9.542 13.147 5.422 272 HE22 GLN 558 1HE2 GLN 558 -9.124 11.476 5.552 273 H LYS 559 H LYS 559 -6.355 14.755 0.005 274 HA LYS 559 HA LYS 559 -3.636 14.205 -0.127 275 HB2 LYS 559 1HB LYS 559 -3.844 14.742 -2.558 276 HB3 LYS 559 2HB LYS 559 -5.074 13.634 -1.963 277 HG2 LYS 559 1HG LYS 559 -6.482 15.812 -1.667 278 HG3 LYS 559 2HG LYS 559 -5.341 16.468 -2.843 279 HD2 LYS 559 1HD LYS 559 -6.979 13.963 -3.231 280 HD3 LYS 559 2HD LYS 559 -7.386 15.550 -3.889 281 HE2 LYS 559 1HE LYS 559 -6.229 14.893 -5.689 282 HE3 LYS 559 2HE LYS 559 -4.799 15.228 -4.714 283 HZ1 LYS 559 3HZ LYS 559 -6.043 12.642 -5.352 284 HZ2 LYS 559 1HZ LYS 559 -5.153 12.803 -3.922 285 HZ3 LYS 559 2HZ LYS 559 -4.414 13.092 -5.416 286 H GLN 560 H GLN 560 -5.306 17.264 -0.067 287 HA GLN 560 HA GLN 560 -3.241 18.906 -1.045 288 HB2 GLN 560 1HB GLN 560 -5.715 19.477 -0.605 289 HB3 GLN 560 2HB GLN 560 -5.210 19.782 1.052 290 HG2 GLN 560 1HG GLN 560 -4.057 21.665 0.506 291 HG3 GLN 560 2HG GLN 560 -3.688 21.101 -1.123 292 HE21 GLN 560 2HE2 GLN 560 -4.509 23.653 -0.760 293 HE22 GLN 560 1HE2 GLN 560 -6.108 23.864 -1.377 294 H MET 561 H MET 561 -4.278 18.557 2.353 295 HA MET 561 HA MET 561 -2.007 19.770 3.453 296 HB2 MET 561 1HB MET 561 -3.783 17.686 4.736 297 HB3 MET 561 2HB MET 561 -2.725 18.811 5.579 298 HG2 MET 561 1HG MET 561 -4.056 20.677 4.880 299 HG3 MET 561 2HG MET 561 -5.043 19.641 3.852 300 HE1 MET 561 3HE MET 561 -5.843 17.361 4.941 301 HE2 MET 561 1HE MET 561 -6.828 17.369 6.404 302 HE3 MET 561 2HE MET 561 -7.350 18.277 4.986 303 H LEU 562 H LEU 562 -2.790 16.304 3.156 304 HA LEU 562 HA LEU 562 -0.494 15.238 4.246 305 HB2 LEU 562 1HB LEU 562 -2.468 13.940 3.556 306 HB3 LEU 562 2HB LEU 562 -2.021 14.184 1.869 307 HG LEU 562 HG LEU 562 -0.012 12.893 3.628 308 HD11 LEU 562 1HD1 LEU 562 -1.930 11.006 2.482 309 HD12 LEU 562 2HD1 LEU 562 -2.569 11.966 3.816 310 HD13 LEU 562 3HD1 LEU 562 -1.116 10.993 4.047 311 HD21 LEU 562 3HD2 LEU 562 -0.580 11.588 1.146 312 HD22 LEU 562 1HD2 LEU 562 0.886 12.427 1.655 313 HD23 LEU 562 2HD2 LEU 562 -0.418 13.324 0.878 314 H GLY 563 H GLY 563 -1.056 15.750 0.753 315 HA2 GLY 563 1HA GLY 563 1.567 15.191 -0.055 316 HA3 GLY 563 2HA GLY 563 0.409 16.147 -0.967 317 H GLU 564 H GLU 564 0.131 18.149 1.155 318 HA GLU 564 HA GLU 564 2.194 19.903 0.326 319 HB2 GLU 564 1HB GLU 564 -0.060 20.031 2.271 320 HB3 GLU 564 2HB GLU 564 1.223 21.223 2.422 321 HG2 GLU 564 1HG GLU 564 0.762 22.175 0.365 322 HG3 GLU 564 2HG GLU 564 -0.083 20.743 -0.220 323 H ARG 565 H ARG 565 1.618 18.109 3.326 324 HA ARG 565 HA ARG 565 3.962 19.142 4.616 325 HB2 ARG 565 1HB ARG 565 1.864 17.131 5.271 326 HB3 ARG 565 2HB ARG 565 3.392 17.035 6.136 327 HG2 ARG 565 1HG ARG 565 2.167 18.372 7.534 328 HG3 ARG 565 2HG ARG 565 2.993 19.580 6.546 329 HD2 ARG 565 1HD ARG 565 0.988 19.681 5.088 330 HD3 ARG 565 2HD ARG 565 0.172 18.575 6.192 331 HE ARG 565 HE ARG 565 0.930 20.571 7.827 332 HH11 ARG 565 1HH1 ARG 565 -0.733 20.542 4.769 333 HH12 ARG 565 2HH1 ARG 565 -1.645 21.976 5.103 334 HH21 ARG 565 1HH2 ARG 565 -0.264 22.461 8.278 335 HH22 ARG 565 2HH2 ARG 565 -1.377 23.068 7.099 336 H LEU 566 H LEU 566 3.148 16.287 2.754 337 HA LEU 566 HA LEU 566 5.575 14.887 3.352 338 HB2 LEU 566 1HB LEU 566 3.160 14.433 1.796 339 HB3 LEU 566 2HB LEU 566 4.608 13.835 0.988 340 HG LEU 566 HG LEU 566 4.935 12.829 3.499 341 HD11 LEU 566 1HD1 LEU 566 2.961 13.207 4.547 342 HD12 LEU 566 2HD1 LEU 566 2.519 11.726 3.698 343 HD13 LEU 566 3HD1 LEU 566 2.047 13.293 3.041 344 HD21 LEU 566 3HD2 LEU 566 3.634 10.798 2.283 345 HD22 LEU 566 1HD2 LEU 566 5.300 11.257 1.930 346 HD23 LEU 566 2HD2 LEU 566 3.990 11.830 0.897 347 H PHE 567 H PHE 567 4.570 17.238 1.011 348 HA PHE 567 HA PHE 567 6.289 16.858 -1.090 349 HB2 PHE 567 1HB PHE 567 4.870 18.638 -1.443 350 HB3 PHE 567 2HB PHE 567 5.103 19.283 0.179 351 HD1 PHE 567 HD2 PHE 567 7.361 18.530 -2.699 352 HD2 PHE 567 HD1 PHE 567 6.001 21.385 0.150 353 HE1 PHE 567 HE2 PHE 567 8.960 20.174 -3.589 354 HE2 PHE 567 HE1 PHE 567 7.597 23.034 -0.736 355 HZ PHE 567 HZ PHE 567 9.080 22.430 -2.607 356 HA PRO 568 HA PRO 568 9.758 19.326 1.199 357 HB2 PRO 568 1HB PRO 568 9.398 19.807 3.846 358 HB3 PRO 568 2HB PRO 568 8.847 20.916 2.585 359 HG2 PRO 568 1HG PRO 568 7.291 18.872 4.122 360 HG3 PRO 568 2HG PRO 568 6.839 20.532 3.693 361 HD2 PRO 568 1HD PRO 568 5.934 18.376 2.327 362 HD3 PRO 568 2HD PRO 568 6.227 19.945 1.549 363 H LEU 569 H LEU 569 8.041 17.071 3.349 364 HA LEU 569 HA LEU 569 10.176 16.002 4.726 365 HB2 LEU 569 1HB LEU 569 7.613 15.534 4.847 366 HB3 LEU 569 2HB LEU 569 7.992 14.216 3.740 367 HG LEU 569 HG LEU 569 7.853 13.477 6.080 368 HD11 LEU 569 1HD1 LEU 569 10.734 13.233 5.394 369 HD12 LEU 569 2HD1 LEU 569 9.543 12.614 4.251 370 HD13 LEU 569 3HD1 LEU 569 9.582 11.999 5.903 371 HD21 LEU 569 3HD2 LEU 569 10.345 15.080 6.589 372 HD22 LEU 569 1HD2 LEU 569 9.344 14.208 7.750 373 HD23 LEU 569 2HD2 LEU 569 8.734 15.676 6.988 374 H ILE 570 H ILE 570 9.067 15.278 1.470 375 HA ILE 570 HA ILE 570 10.825 13.047 1.099 376 HB ILE 570 HB ILE 570 9.261 14.708 -0.876 377 HG12 ILE 570 1HG1 ILE 570 8.837 11.868 0.072 378 HG13 ILE 570 2HG1 ILE 570 7.995 13.264 0.736 379 HG21 ILE 570 1HG2 ILE 570 11.178 12.462 -1.278 380 HG22 ILE 570 2HG2 ILE 570 9.764 12.581 -2.323 381 HG23 ILE 570 3HG2 ILE 570 10.919 13.910 -2.249 382 HD11 ILE 570 3HD1 ILE 570 7.165 11.690 -1.365 383 HD12 ILE 570 1HD1 ILE 570 6.529 13.276 -0.927 384 HD13 ILE 570 2HD1 ILE 570 7.794 13.139 -2.149 385 H GLN 571 H GLN 571 10.970 16.494 0.471 386 HA GLN 571 HA GLN 571 13.143 16.583 -1.268 387 HB2 GLN 571 1HB GLN 571 12.300 18.540 0.873 388 HB3 GLN 571 2HB GLN 571 13.517 18.882 -0.349 389 HG2 GLN 571 1HG GLN 571 11.799 18.476 -2.093 390 HG3 GLN 571 2HG GLN 571 10.601 18.307 -0.811 391 HE21 GLN 571 2HE2 GLN 571 11.422 20.298 0.910 392 HE22 GLN 571 1HE2 GLN 571 11.189 21.835 0.156 393 H ALA 572 H ALA 572 13.013 15.777 2.066 394 HA ALA 572 HA ALA 572 15.490 16.492 3.036 395 HB1 ALA 572 3HB ALA 572 13.734 15.427 4.381 396 HB2 ALA 572 1HB ALA 572 14.053 13.894 3.569 397 HB3 ALA 572 2HB ALA 572 15.295 14.631 4.582 398 H MET 573 H MET 573 14.670 13.938 0.789 399 HA MET 573 HA MET 573 17.533 13.271 0.583 400 HB2 MET 573 1HB MET 573 16.795 11.022 -0.211 401 HB3 MET 573 2HB MET 573 16.372 11.360 1.462 402 HG2 MET 573 1HG MET 573 14.181 12.227 -0.013 403 HG3 MET 573 2HG MET 573 14.676 10.718 -0.777 404 HE1 MET 573 3HE MET 573 12.861 11.689 3.129 405 HE2 MET 573 1HE MET 573 12.931 12.531 1.581 406 HE3 MET 573 2HE MET 573 11.745 11.251 1.834 407 H HIS 574 H HIS 574 14.510 13.815 -1.127 408 HA HIS 574 HA HIS 574 16.062 14.223 -3.594 409 HB2 HIS 574 1HB HIS 574 13.631 12.576 -3.142 410 HB3 HIS 574 2HB HIS 574 13.690 13.515 -4.631 411 HD1 HIS 574 HD1 HIS 574 14.918 10.432 -3.097 412 HD2 HIS 574 HD2 HIS 574 15.956 12.841 -6.319 413 HE1 HIS 574 HE1 HIS 574 16.432 9.024 -4.529 414 HA PRO 575 HA PRO 575 13.690 18.051 -2.497 415 HB2 PRO 575 1HB PRO 575 15.737 19.750 -3.040 416 HB3 PRO 575 2HB PRO 575 15.529 18.968 -1.468 417 HG2 PRO 575 1HG PRO 575 17.335 18.215 -3.734 418 HG3 PRO 575 2HG PRO 575 17.678 18.254 -1.995 419 HD2 PRO 575 1HD PRO 575 17.117 15.959 -3.318 420 HD3 PRO 575 2HD PRO 575 16.664 16.218 -1.621 421 H THR 576 H THR 576 15.145 16.698 -5.233 422 HA THR 576 HA THR 576 14.256 18.861 -7.000 423 HB THR 576 HB THR 576 15.360 17.245 -8.759 424 HG1 THR 576 HG1 THR 576 17.022 16.005 -7.823 425 HG21 THR 576 3HG2 THR 576 17.669 18.235 -7.897 426 HG22 THR 576 1HG2 THR 576 16.594 19.174 -6.863 427 HG23 THR 576 2HG2 THR 576 16.429 19.261 -8.617 428 H LEU 577 H LEU 577 13.967 15.328 -6.659 429 HA LEU 577 HA LEU 577 11.715 15.310 -8.506 430 HB2 LEU 577 1HB LEU 577 13.157 13.092 -7.063 431 HB3 LEU 577 2HB LEU 577 11.801 12.846 -8.161 432 HG LEU 577 HG LEU 577 13.720 12.339 -9.413 433 HD11 LEU 577 1HD1 LEU 577 13.544 15.145 -10.312 434 HD12 LEU 577 2HD1 LEU 577 12.028 14.248 -10.236 435 HD13 LEU 577 3HD1 LEU 577 13.361 13.644 -11.220 436 HD21 LEU 577 3HD2 LEU 577 15.211 14.808 -9.211 437 HD22 LEU 577 1HD2 LEU 577 15.749 13.144 -8.989 438 HD23 LEU 577 2HD2 LEU 577 15.033 14.026 -7.640 439 H ALA 578 H ALA 578 11.847 16.319 -5.553 440 HA ALA 578 HA ALA 578 10.238 14.787 -3.911 441 HB1 ALA 578 3HB ALA 578 10.106 16.610 -2.552 442 HB2 ALA 578 1HB ALA 578 11.442 17.123 -3.583 443 HB3 ALA 578 2HB ALA 578 9.812 17.724 -3.887 444 H GLY 579 H GLY 579 9.175 17.381 -6.124 445 HA2 GLY 579 1HA GLY 579 6.454 17.227 -5.715 446 HA3 GLY 579 2HA GLY 579 7.191 17.667 -7.248 447 H LYS 580 H LYS 580 8.339 15.378 -8.104 448 HA LYS 580 HA LYS 580 6.155 13.923 -9.124 449 HB2 LYS 580 1HB LYS 580 9.057 13.079 -9.038 450 HB3 LYS 580 2HB LYS 580 7.819 12.451 -10.118 451 HG2 LYS 580 1HG LYS 580 8.724 15.321 -10.082 452 HG3 LYS 580 2HG LYS 580 9.369 14.087 -11.166 453 HD2 LYS 580 1HD LYS 580 6.420 14.589 -11.019 454 HD3 LYS 580 2HD LYS 580 7.457 15.632 -11.995 455 HE2 LYS 580 1HE LYS 580 7.450 12.635 -12.252 456 HE3 LYS 580 2HE LYS 580 6.376 13.673 -13.188 457 HZ1 LYS 580 3HZ LYS 580 9.024 14.634 -13.358 458 HZ2 LYS 580 1HZ LYS 580 8.011 14.090 -14.599 459 HZ3 LYS 580 2HZ LYS 580 8.999 12.994 -13.772 460 H ILE 581 H ILE 581 8.560 13.101 -6.641 461 HA ILE 581 HA ILE 581 7.696 10.515 -6.081 462 HB ILE 581 HB ILE 581 8.889 12.531 -4.174 463 HG12 ILE 581 1HG1 ILE 581 10.425 10.273 -5.371 464 HG13 ILE 581 2HG1 ILE 581 10.076 11.661 -6.395 465 HG21 ILE 581 1HG2 ILE 581 7.795 10.716 -2.977 466 HG22 ILE 581 2HG2 ILE 581 8.674 9.532 -3.943 467 HG23 ILE 581 3HG2 ILE 581 9.548 10.589 -2.834 468 HD11 ILE 581 3HD1 ILE 581 12.170 12.108 -5.489 469 HD12 ILE 581 1HD1 ILE 581 11.063 13.067 -4.508 470 HD13 ILE 581 2HD1 ILE 581 11.700 11.545 -3.885 471 H THR 582 H THR 582 6.909 13.465 -4.230 472 HA THR 582 HA THR 582 4.987 12.323 -2.572 473 HB THR 582 HB THR 582 6.008 14.608 -2.302 474 HG1 THR 582 HG1 THR 582 4.324 14.210 -0.953 475 HG21 THR 582 3HG2 THR 582 3.897 15.375 -4.321 476 HG22 THR 582 1HG2 THR 582 5.639 15.416 -4.588 477 HG23 THR 582 2HG2 THR 582 4.903 16.493 -3.402 478 H GLY 583 H GLY 583 4.715 13.585 -5.839 479 HA2 GLY 583 1HA GLY 583 1.919 13.756 -6.010 480 HA3 GLY 583 2HA GLY 583 3.006 13.509 -7.369 481 H MET 584 H MET 584 4.001 11.128 -7.237 482 HA MET 584 HA MET 584 1.878 9.390 -7.841 483 HB2 MET 584 1HB MET 584 4.730 8.655 -7.159 484 HB3 MET 584 2HB MET 584 3.577 7.652 -8.030 485 HG2 MET 584 1HG MET 584 3.615 9.070 -9.913 486 HG3 MET 584 2HG MET 584 4.452 10.343 -9.027 487 HE1 MET 584 3HE MET 584 7.171 10.367 -8.670 488 HE2 MET 584 1HE MET 584 6.623 9.172 -7.494 489 HE3 MET 584 2HE MET 584 8.002 8.817 -8.534 490 H LEU 585 H LEU 585 3.986 9.590 -4.990 491 HA LEU 585 HA LEU 585 2.956 7.389 -3.607 492 HB2 LEU 585 1HB LEU 585 4.452 9.842 -2.874 493 HB3 LEU 585 2HB LEU 585 3.671 8.949 -1.570 494 HG LEU 585 HG LEU 585 4.982 6.997 -2.037 495 HD11 LEU 585 1HD1 LEU 585 6.875 7.485 -3.861 496 HD12 LEU 585 2HD1 LEU 585 5.558 8.429 -4.556 497 HD13 LEU 585 3HD1 LEU 585 5.342 6.706 -4.250 498 HD21 LEU 585 3HD2 LEU 585 7.327 8.504 -2.187 499 HD22 LEU 585 1HD2 LEU 585 6.499 7.957 -0.730 500 HD23 LEU 585 2HD2 LEU 585 6.147 9.551 -1.397 501 H LEU 586 H LEU 586 1.741 10.628 -3.999 502 HA LEU 586 HA LEU 586 -0.203 10.400 -1.880 503 HB2 LEU 586 1HB LEU 586 0.723 12.568 -2.421 504 HB3 LEU 586 2HB LEU 586 0.144 12.431 -4.080 505 HG LEU 586 HG LEU 586 -1.858 12.337 -1.879 506 HD11 LEU 586 1HD1 LEU 586 -1.871 14.958 -2.346 507 HD12 LEU 586 2HD1 LEU 586 -0.144 14.658 -2.542 508 HD13 LEU 586 3HD1 LEU 586 -0.947 14.232 -1.030 509 HD21 LEU 586 3HD2 LEU 586 -1.803 12.632 -4.731 510 HD22 LEU 586 1HD2 LEU 586 -2.595 14.026 -3.996 511 HD23 LEU 586 2HD2 LEU 586 -3.183 12.398 -3.657 512 H GLU 587 H GLU 587 -0.007 9.572 -5.204 513 HA GLU 587 HA GLU 587 -2.832 9.605 -5.719 514 HB2 GLU 587 1HB GLU 587 -0.783 9.723 -7.380 515 HB3 GLU 587 2HB GLU 587 -0.933 7.972 -7.347 516 HG2 GLU 587 1HG GLU 587 -3.443 9.433 -7.779 517 HG3 GLU 587 2HG GLU 587 -2.245 9.589 -9.062 518 H ILE 588 H ILE 588 -0.438 6.978 -5.410 519 HA ILE 588 HA ILE 588 -1.869 4.743 -5.579 520 HB ILE 588 HB ILE 588 -0.589 4.093 -3.286 521 HG12 ILE 588 1HG1 ILE 588 1.209 6.198 -4.451 522 HG13 ILE 588 2HG1 ILE 588 0.046 6.619 -3.198 523 HG21 ILE 588 1HG2 ILE 588 1.466 3.995 -5.082 524 HG22 ILE 588 2HG2 ILE 588 0.174 2.804 -4.949 525 HG23 ILE 588 3HG2 ILE 588 0.056 4.102 -6.136 526 HD11 ILE 588 3HD1 ILE 588 1.063 4.881 -1.753 527 HD12 ILE 588 1HD1 ILE 588 2.294 4.634 -2.992 528 HD13 ILE 588 2HD1 ILE 588 2.161 6.194 -2.179 529 H ASP 589 H ASP 589 -1.624 6.411 -2.431 530 HA ASP 589 HA ASP 589 -4.324 6.504 -1.837 531 HB2 ASP 589 1HB ASP 589 -3.291 3.837 -1.671 532 HB3 ASP 589 2HB ASP 589 -3.713 4.387 -0.051 533 H ASN 590 H ASN 590 -4.236 8.160 -0.480 534 HA ASN 590 HA ASN 590 -2.060 8.967 1.023 535 HB2 ASN 590 1HB ASN 590 -5.010 9.490 1.387 536 HB3 ASN 590 2HB ASN 590 -3.781 10.266 2.382 537 HD21 ASN 590 2HD2 ASN 590 -5.555 11.679 0.786 538 HD22 ASN 590 1HD2 ASN 590 -4.670 12.455 -0.479 539 H SER 591 H SER 591 -4.845 7.019 2.045 540 HA SER 591 HA SER 591 -4.326 6.774 4.734 541 HB2 SER 591 1HB SER 591 -6.191 5.723 3.135 542 HB3 SER 591 2HB SER 591 -5.165 4.299 3.304 543 HG SER 591 HG SER 591 -6.816 4.465 4.925 544 H GLU 592 H GLU 592 -2.970 4.848 2.082 545 HA GLU 592 HA GLU 592 -1.488 3.058 3.647 546 HB2 GLU 592 1HB GLU 592 -1.940 2.785 1.220 547 HB3 GLU 592 2HB GLU 592 -0.806 4.087 0.888 548 HG2 GLU 592 1HG GLU 592 0.468 2.205 0.524 549 HG3 GLU 592 2HG GLU 592 0.888 2.635 2.180 550 H LEU 593 H LEU 593 -0.679 6.246 2.361 551 HA LEU 593 HA LEU 593 2.041 6.251 3.082 552 HB2 LEU 593 1HB LEU 593 0.424 8.757 3.117 553 HB3 LEU 593 2HB LEU 593 2.058 8.487 2.515 554 HG LEU 593 HG LEU 593 -0.530 7.720 1.172 555 HD11 LEU 593 1HD1 LEU 593 0.772 10.116 1.178 556 HD12 LEU 593 2HD1 LEU 593 -0.284 9.536 -0.110 557 HD13 LEU 593 3HD1 LEU 593 1.462 9.328 -0.240 558 HD21 LEU 593 3HD2 LEU 593 0.691 6.670 -0.535 559 HD22 LEU 593 1HD2 LEU 593 1.378 6.044 0.964 560 HD23 LEU 593 2HD2 LEU 593 2.229 7.297 0.061 561 H LEU 594 H LEU 594 -0.875 7.149 4.844 562 HA LEU 594 HA LEU 594 0.389 8.342 7.063 563 HB2 LEU 594 1HB LEU 594 -2.295 7.210 6.491 564 HB3 LEU 594 2HB LEU 594 -1.852 7.452 8.180 565 HG LEU 594 HG LEU 594 -1.863 9.614 6.075 566 HD11 LEU 594 1HD1 LEU 594 -3.837 10.416 7.481 567 HD12 LEU 594 2HD1 LEU 594 -3.901 8.770 8.109 568 HD13 LEU 594 3HD1 LEU 594 -4.116 9.064 6.384 569 HD21 LEU 594 3HD2 LEU 594 -1.003 11.004 7.603 570 HD22 LEU 594 1HD2 LEU 594 -0.478 9.538 8.433 571 HD23 LEU 594 2HD2 LEU 594 -1.982 10.329 8.907 572 H HIS 595 H HIS 595 0.244 5.112 6.045 573 HA HIS 595 HA HIS 595 0.923 4.143 8.740 574 HB2 HIS 595 1HB HIS 595 -1.031 3.165 7.223 575 HB3 HIS 595 2HB HIS 595 0.300 2.244 6.528 576 HD1 HIS 595 HD1 HIS 595 -1.271 2.896 9.923 577 HD2 HIS 595 HD2 HIS 595 0.956 0.011 7.929 578 HE1 HIS 595 HE1 HIS 595 -1.134 0.942 11.501 579 H MET 596 H MET 596 2.144 4.756 5.621 580 HA MET 596 HA MET 596 4.377 2.904 5.900 581 HB2 MET 596 1HB MET 596 3.469 4.755 3.709 582 HB3 MET 596 2HB MET 596 5.051 3.990 3.667 583 HG2 MET 596 1HG MET 596 3.887 1.783 3.871 584 HG3 MET 596 2HG MET 596 2.365 2.645 3.653 585 HE1 MET 596 3HE MET 596 2.545 4.674 1.882 586 HE2 MET 596 1HE MET 596 4.158 4.849 1.188 587 HE3 MET 596 2HE MET 596 2.825 4.274 0.186 588 H LEU 597 H LEU 597 3.677 6.339 6.055 589 HA LEU 597 HA LEU 597 6.337 7.274 6.086 590 HB2 LEU 597 1HB LEU 597 5.461 9.336 6.526 591 HB3 LEU 597 2HB LEU 597 4.051 8.524 5.848 592 HG LEU 597 HG LEU 597 3.261 9.742 7.697 593 HD11 LEU 597 1HD1 LEU 597 3.035 7.007 7.592 594 HD12 LEU 597 2HD1 LEU 597 2.072 8.086 8.601 595 HD13 LEU 597 3HD1 LEU 597 3.505 7.302 9.266 596 HD21 LEU 597 3HD2 LEU 597 4.970 8.564 9.765 597 HD22 LEU 597 1HD2 LEU 597 4.421 10.227 9.553 598 HD23 LEU 597 2HD2 LEU 597 5.812 9.636 8.644 599 H GLU 598 H GLU 598 4.614 5.467 8.347 600 HA GLU 598 HA GLU 598 6.134 6.455 10.635 601 HB2 GLU 598 1HB GLU 598 4.724 5.009 11.982 602 HB3 GLU 598 2HB GLU 598 3.729 5.990 10.915 603 HG2 GLU 598 1HG GLU 598 3.014 4.212 9.711 604 HG3 GLU 598 2HG GLU 598 4.517 3.317 9.929 605 H SER 599 H SER 599 7.470 5.084 8.436 606 HA SER 599 HA SER 599 8.937 3.161 10.012 607 HB2 SER 599 1HB SER 599 6.937 2.289 8.114 608 HB3 SER 599 2HB SER 599 8.539 1.738 7.624 609 HG SER 599 HG SER 599 7.259 0.391 9.168 610 HA PRO 600 HA PRO 600 12.174 4.949 7.607 611 HB2 PRO 600 1HB PRO 600 14.138 3.181 8.233 612 HB3 PRO 600 2HB PRO 600 13.556 4.411 9.362 613 HG2 PRO 600 1HG PRO 600 12.852 1.506 9.197 614 HG3 PRO 600 2HG PRO 600 13.196 2.494 10.629 615 HD2 PRO 600 1HD PRO 600 10.676 1.870 9.860 616 HD3 PRO 600 2HD PRO 600 11.077 3.400 10.668 617 H GLU 601 H GLU 601 11.958 1.387 7.482 618 HA GLU 601 HA GLU 601 13.225 1.123 4.978 619 HB2 GLU 601 1HB GLU 601 12.745 -0.667 6.781 620 HB3 GLU 601 2HB GLU 601 11.174 -0.819 6.006 621 HG2 GLU 601 1HG GLU 601 12.084 -1.647 4.036 622 HG3 GLU 601 2HG GLU 601 13.695 -1.039 4.413 623 H SER 602 H SER 602 10.129 2.229 5.815 624 HA SER 602 HA SER 602 8.924 1.525 3.260 625 HB2 SER 602 1HB SER 602 7.838 3.034 5.648 626 HB3 SER 602 2HB SER 602 6.912 2.682 4.189 627 HG SER 602 HG SER 602 6.431 0.971 5.369 628 H LEU 603 H LEU 603 9.755 4.467 5.078 629 HA LEU 603 HA LEU 603 8.976 6.365 3.222 630 HB2 LEU 603 1HB LEU 603 9.743 6.845 5.515 631 HB3 LEU 603 2HB LEU 603 11.394 6.475 5.021 632 HG LEU 603 HG LEU 603 10.696 8.938 5.213 633 HD11 LEU 603 1HD1 LEU 603 11.855 8.210 2.546 634 HD12 LEU 603 2HD1 LEU 603 12.732 7.903 4.045 635 HD13 LEU 603 3HD1 LEU 603 12.274 9.551 3.613 636 HD21 LEU 603 3HD2 LEU 603 8.609 8.275 3.694 637 HD22 LEU 603 1HD2 LEU 603 9.741 8.723 2.417 638 HD23 LEU 603 2HD2 LEU 603 9.324 9.888 3.675 639 H ARG 604 H ARG 604 12.330 5.223 3.664 640 HA ARG 604 HA ARG 604 13.389 6.365 1.370 641 HB2 ARG 604 1HB ARG 604 15.181 4.656 1.557 642 HB3 ARG 604 2HB ARG 604 14.823 5.453 3.084 643 HG2 ARG 604 1HG ARG 604 13.192 3.338 3.297 644 HG3 ARG 604 2HG ARG 604 14.452 2.642 2.276 645 HD2 ARG 604 1HD ARG 604 15.168 4.181 4.741 646 HD3 ARG 604 2HD ARG 604 14.674 2.493 4.855 647 HE ARG 604 HE ARG 604 17.176 3.494 3.894 648 HH11 ARG 604 1HH1 ARG 604 14.887 0.883 3.635 649 HH12 ARG 604 2HH1 ARG 604 16.067 -0.272 3.111 650 HH21 ARG 604 1HH2 ARG 604 18.738 1.982 3.205 651 HH22 ARG 604 2HH2 ARG 604 18.257 0.353 2.868 652 H SER 605 H SER 605 11.921 3.169 1.804 653 HA SER 605 HA SER 605 12.430 2.072 -0.683 654 HB2 SER 605 1HB SER 605 11.454 0.593 0.831 655 HB3 SER 605 2HB SER 605 10.188 1.734 1.284 656 HG SER 605 HG SER 605 9.514 -0.043 -0.102 657 H LYS 606 H LYS 606 9.573 3.965 0.293 658 HA LYS 606 HA LYS 606 8.323 4.013 -2.208 659 HB2 LYS 606 1HB LYS 606 8.223 5.989 0.074 660 HB3 LYS 606 2HB LYS 606 7.167 6.067 -1.329 661 HG2 LYS 606 1HG LYS 606 7.320 3.811 0.660 662 HG3 LYS 606 2HG LYS 606 6.037 5.017 0.535 663 HD2 LYS 606 1HD LYS 606 6.778 2.980 -1.565 664 HD3 LYS 606 2HD LYS 606 5.362 2.923 -0.513 665 HE2 LYS 606 1HE LYS 606 4.557 5.018 -1.504 666 HE3 LYS 606 2HE LYS 606 5.966 5.053 -2.563 667 HZ1 LYS 606 3HZ LYS 606 4.173 4.155 -3.794 668 HZ2 LYS 606 1HZ LYS 606 3.761 3.070 -2.562 669 HZ3 LYS 606 2HZ LYS 606 5.197 2.858 -3.431 670 H VAL 607 H VAL 607 10.294 6.573 -0.690 671 HA VAL 607 HA VAL 607 10.383 8.359 -2.779 672 HB VAL 607 HB VAL 607 12.632 7.704 -0.870 673 HG11 VAL 607 1HG1 VAL 607 12.550 9.461 -3.107 674 HG12 VAL 607 2HG1 VAL 607 12.617 10.429 -1.633 675 HG13 VAL 607 3HG1 VAL 607 13.853 9.211 -1.946 676 HG21 VAL 607 3HG2 VAL 607 10.149 8.585 -0.218 677 HG22 VAL 607 1HG2 VAL 607 11.609 8.941 0.705 678 HG23 VAL 607 2HG2 VAL 607 10.998 10.111 -0.465 679 H ASP 608 H ASP 608 12.725 5.747 -2.143 680 HA ASP 608 HA ASP 608 14.332 6.131 -4.381 681 HB2 ASP 608 1HB ASP 608 14.727 4.587 -2.384 682 HB3 ASP 608 2HB ASP 608 13.713 3.416 -3.224 683 H GLU 609 H GLU 609 11.603 3.868 -4.003 684 HA GLU 609 HA GLU 609 11.582 2.801 -6.550 685 HB2 GLU 609 1HB GLU 609 10.166 2.045 -4.644 686 HB3 GLU 609 2HB GLU 609 9.142 3.453 -4.891 687 HG2 GLU 609 1HG GLU 609 8.255 2.638 -6.848 688 HG3 GLU 609 2HG GLU 609 9.636 1.588 -7.161 689 H ALA 610 H ALA 610 9.742 5.627 -5.397 690 HA ALA 610 HA ALA 610 8.494 6.330 -7.757 691 HB1 ALA 610 3HB ALA 610 9.253 8.739 -6.490 692 HB2 ALA 610 1HB ALA 610 7.706 7.897 -6.401 693 HB3 ALA 610 2HB ALA 610 8.973 7.544 -5.224 694 H VAL 611 H VAL 611 11.539 7.748 -6.540 695 HA VAL 611 HA VAL 611 12.205 9.258 -8.744 696 HB VAL 611 HB VAL 611 14.187 7.744 -7.041 697 HG11 VAL 611 1HG1 VAL 611 14.553 10.415 -8.370 698 HG12 VAL 611 2HG1 VAL 611 15.781 9.355 -7.675 699 HG13 VAL 611 3HG1 VAL 611 14.963 8.898 -9.170 700 HG21 VAL 611 3HG2 VAL 611 12.284 9.709 -6.275 701 HG22 VAL 611 1HG2 VAL 611 13.557 8.971 -5.302 702 HG23 VAL 611 2HG2 VAL 611 13.886 10.444 -6.215 703 H ALA 612 H ALA 612 12.705 5.814 -8.209 704 HA ALA 612 HA ALA 612 14.365 5.338 -10.444 705 HB1 ALA 612 3HB ALA 612 14.506 3.424 -9.323 706 HB2 ALA 612 1HB ALA 612 13.030 3.770 -8.423 707 HB3 ALA 612 2HB ALA 612 12.937 2.991 -10.002 708 H VAL 613 H VAL 613 10.855 5.245 -10.008 709 HA VAL 613 HA VAL 613 10.224 4.217 -12.560 710 HB VAL 613 HB VAL 613 8.555 5.965 -10.746 711 HG11 VAL 613 1HG1 VAL 613 8.095 5.121 -13.416 712 HG12 VAL 613 2HG1 VAL 613 6.993 4.231 -12.363 713 HG13 VAL 613 3HG1 VAL 613 7.009 5.995 -12.337 714 HG21 VAL 613 3HG2 VAL 613 9.178 3.078 -10.808 715 HG22 VAL 613 1HG2 VAL 613 8.753 4.121 -9.451 716 HG23 VAL 613 2HG2 VAL 613 7.492 3.511 -10.523 717 H LEU 614 H LEU 614 10.575 7.518 -11.339 718 HA LEU 614 HA LEU 614 9.627 8.965 -13.483 719 HB2 LEU 614 1HB LEU 614 12.056 9.617 -11.822 720 HB3 LEU 614 2HB LEU 614 11.110 10.759 -12.774 721 HG LEU 614 HG LEU 614 10.294 9.342 -10.246 722 HD11 LEU 614 1HD1 LEU 614 10.277 11.444 -9.254 723 HD12 LEU 614 2HD1 LEU 614 10.239 12.284 -10.804 724 HD13 LEU 614 3HD1 LEU 614 11.718 11.484 -10.272 725 HD21 LEU 614 3HD2 LEU 614 8.612 10.987 -12.132 726 HD22 LEU 614 1HD2 LEU 614 8.134 10.521 -10.500 727 HD23 LEU 614 2HD2 LEU 614 8.395 9.283 -11.730 728 H GLN 615 H GLN 615 12.628 7.208 -13.177 729 HA GLN 615 HA GLN 615 14.149 8.311 -15.199 730 HB2 GLN 615 1HB GLN 615 14.928 6.542 -13.658 731 HB3 GLN 615 2HB GLN 615 13.925 5.376 -14.511 732 HG2 GLN 615 1HG GLN 615 15.986 6.956 -15.987 733 HG3 GLN 615 2HG GLN 615 16.445 5.533 -15.053 734 HE21 GLN 615 2HE2 GLN 615 16.709 5.833 -17.857 735 HE22 GLN 615 1HE2 GLN 615 15.706 4.645 -18.610 736 H ALA 616 H ALA 616 11.340 6.266 -15.423 737 HA ALA 616 HA ALA 616 11.655 5.473 -18.127 738 HB1 ALA 616 3HB ALA 616 10.145 4.399 -16.425 739 HB2 ALA 616 1HB ALA 616 9.043 5.756 -16.658 740 HB3 ALA 616 2HB ALA 616 9.420 4.684 -18.007 741 H HIS 617 H HIS 617 10.181 8.262 -16.574 742 HA HIS 617 HA HIS 617 9.335 9.302 -19.180 743 HB2 HIS 617 1HB HIS 617 7.649 9.362 -17.419 744 HB3 HIS 617 2HB HIS 617 8.739 10.272 -16.377 745 HD1 HIS 617 HD1 HIS 617 6.583 10.643 -19.425 746 HD2 HIS 617 HD2 HIS 617 8.868 13.002 -16.880 747 HE1 HIS 617 HE1 HIS 617 6.003 13.019 -20.010 748 H GLN 618 H GLN 618 10.566 10.948 -16.279 749 HA GLN 618 HA GLN 618 12.788 12.039 -17.821 750 HB2 GLN 618 1HB GLN 618 10.751 13.571 -17.995 751 HB3 GLN 618 2HB GLN 618 10.975 13.887 -16.280 752 HG2 GLN 618 1HG GLN 618 13.034 14.942 -16.626 753 HG3 GLN 618 2HG GLN 618 13.186 14.296 -18.259 754 HE21 GLN 618 2HE2 GLN 618 11.677 16.692 -16.249 755 HE22 GLN 618 1HE2 GLN 618 11.092 17.693 -17.530 756 H ALA 619 H ALA 619 14.554 11.779 -16.643 757 HA ALA 619 HA ALA 619 14.319 11.581 -13.731 758 HB1 ALA 619 3HB ALA 619 15.517 9.858 -15.265 759 HB2 ALA 619 1HB ALA 619 16.844 11.020 -15.227 760 HB3 ALA 619 2HB ALA 619 16.247 10.312 -13.725 761 H LYS 620 H LYS 620 13.975 14.131 -14.453 762 HA LYS 620 HA LYS 620 14.743 16.266 -14.240 763 HB2 LYS 620 1HB LYS 620 15.338 14.997 -11.977 764 HB3 LYS 620 2HB LYS 620 16.981 15.345 -12.501 765 HG2 LYS 620 1HG LYS 620 15.014 17.568 -12.523 766 HG3 LYS 620 2HG LYS 620 15.623 17.004 -10.965 767 HD2 LYS 620 1HD LYS 620 17.950 17.186 -12.185 768 HD3 LYS 620 2HD LYS 620 17.072 18.319 -13.214 769 HE2 LYS 620 1HE LYS 620 16.301 19.360 -10.962 770 HE3 LYS 620 2HE LYS 620 17.681 18.493 -10.289 771 HZ1 LYS 620 3HZ LYS 620 17.852 20.404 -12.555 772 HZ2 LYS 620 1HZ LYS 620 19.145 19.661 -11.755 773 HZ3 LYS 620 2HZ LYS 620 18.191 20.799 -10.946 774 H GLU 621 H GLU 621 15.606 15.277 -16.561 775 HA GLU 621 HA GLU 621 18.414 16.158 -16.724 776 HB2 GLU 621 1HB GLU 621 18.116 13.739 -17.202 777 HB3 GLU 621 2HB GLU 621 17.029 14.158 -18.519 778 HG2 GLU 621 1HG GLU 621 19.191 13.654 -19.412 779 HG3 GLU 621 2HG GLU 621 18.874 15.377 -19.611 780 H ALA 622 H ALA 622 17.674 18.320 -17.048 781 HA ALA 622 HA ALA 622 16.818 18.802 -19.814 782 HB1 ALA 622 3HB ALA 622 15.374 20.660 -19.030 783 HB2 ALA 622 1HB ALA 622 14.819 19.069 -18.508 784 HB3 ALA 622 2HB ALA 622 15.653 20.129 -17.371 785 H ALA 623 H ALA 623 18.218 20.077 -20.819 786 HA ALA 623 HA ALA 623 19.995 21.773 -19.208 787 HB1 ALA 623 3HB ALA 623 21.646 21.123 -20.544 788 HB2 ALA 623 1HB ALA 623 20.519 19.989 -21.290 789 HB3 ALA 623 2HB ALA 623 20.742 21.596 -21.983 Start of MODEL 16 1 H1 ALA 64 1H ALA 64 1.664 -1.655 -0.951 2 HA ALA 64 HA ALA 64 0.207 0.247 -2.630 3 HB1 ALA 64 3HB ALA 64 2.258 1.608 -2.493 4 HB2 ALA 64 1HB ALA 64 1.599 1.212 -0.906 5 HB3 ALA 64 2HB ALA 64 3.008 0.345 -1.517 6 H PHE 65 H PHE 65 3.529 -0.998 -2.866 7 HA PHE 65 HA PHE 65 2.997 -2.072 -5.513 8 HB2 PHE 65 1HB PHE 65 4.557 0.407 -5.006 9 HB3 PHE 65 2HB PHE 65 5.214 -0.724 -6.185 10 HD1 PHE 65 HD1 PHE 65 3.739 -1.426 -8.120 11 HD2 PHE 65 HD2 PHE 65 2.823 1.860 -5.574 12 HE1 PHE 65 HE1 PHE 65 2.217 -0.528 -9.832 13 HE2 PHE 65 HE2 PHE 65 1.299 2.762 -7.281 14 HZ PHE 65 HZ PHE 65 0.993 1.568 -9.413 15 H SER 66 H SER 66 4.261 -3.785 -5.984 16 HA SER 66 HA SER 66 6.575 -4.298 -4.235 17 HB2 SER 66 1HB SER 66 5.982 -6.738 -4.412 18 HB3 SER 66 2HB SER 66 4.821 -5.771 -3.502 19 HG SER 66 HG SER 66 3.686 -7.060 -4.921 20 H ARG 67 H ARG 67 6.631 -3.055 -6.800 21 HA ARG 67 HA ARG 67 8.640 -4.612 -8.048 22 HB2 ARG 67 1HB ARG 67 7.134 -4.558 -10.288 23 HB3 ARG 67 2HB ARG 67 7.253 -5.956 -9.228 24 HG2 ARG 67 1HG ARG 67 5.156 -5.655 -8.362 25 HG3 ARG 67 2HG ARG 67 5.157 -3.919 -8.678 26 HD2 ARG 67 1HD ARG 67 4.997 -4.406 -11.101 27 HD3 ARG 67 2HD ARG 67 4.880 -6.123 -10.717 28 HE ARG 67 HE ARG 67 2.809 -4.144 -10.472 29 HH11 ARG 67 1HH1 ARG 67 3.967 -7.234 -9.363 30 HH12 ARG 67 2HH1 ARG 67 2.402 -7.790 -8.870 31 HH21 ARG 67 1HH2 ARG 67 0.743 -4.865 -9.827 32 HH22 ARG 67 2HH2 ARG 67 0.569 -6.442 -9.135 33 H GLN 68 H GLN 68 6.176 -2.505 -9.509 34 HA GLN 68 HA GLN 68 7.847 -0.184 -9.420 35 HB2 GLN 68 1HB GLN 68 9.023 -1.247 -11.212 36 HB3 GLN 68 2HB GLN 68 7.522 -1.677 -12.021 37 HG2 GLN 68 1HG GLN 68 7.139 0.494 -12.743 38 HG3 GLN 68 2HG GLN 68 8.233 1.187 -11.547 39 HE21 GLN 68 2HE2 GLN 68 7.874 0.329 -14.732 40 HE22 GLN 68 1HE2 GLN 68 9.535 0.332 -15.206 41 H LEU 69 H LEU 69 6.768 1.701 -10.059 42 HA LEU 69 HA LEU 69 3.883 1.336 -10.516 43 HB2 LEU 69 1HB LEU 69 3.643 3.594 -9.518 44 HB3 LEU 69 2HB LEU 69 4.287 2.382 -8.412 45 HG LEU 69 HG LEU 69 6.596 3.378 -9.117 46 HD11 LEU 69 1HD1 LEU 69 6.360 5.856 -9.494 47 HD12 LEU 69 2HD1 LEU 69 4.666 5.556 -9.877 48 HD13 LEU 69 3HD1 LEU 69 5.934 4.831 -10.865 49 HD21 LEU 69 3HD2 LEU 69 6.267 3.695 -6.912 50 HD22 LEU 69 1HD2 LEU 69 4.601 4.231 -7.129 51 HD23 LEU 69 2HD2 LEU 69 5.931 5.356 -7.403 52 H ASN 70 H ASN 70 3.058 3.718 -11.353 53 HA ASN 70 HA ASN 70 4.538 4.132 -13.864 54 HB2 ASN 70 1HB ASN 70 2.317 4.984 -14.731 55 HB3 ASN 70 2HB ASN 70 2.375 3.263 -14.362 56 HD21 ASN 70 2HD2 ASN 70 0.777 6.172 -13.834 57 HD22 ASN 70 1HD2 ASN 70 -0.273 5.657 -12.562 58 H VAL 71 H VAL 71 5.198 6.135 -14.427 59 HA VAL 71 HA VAL 71 5.079 8.205 -12.418 60 HB VAL 71 HB VAL 71 7.142 7.742 -13.740 61 HG11 VAL 71 1HG1 VAL 71 6.175 9.309 -16.035 62 HG12 VAL 71 2HG1 VAL 71 7.268 7.924 -15.982 63 HG13 VAL 71 3HG1 VAL 71 5.523 7.676 -15.905 64 HG21 VAL 71 3HG2 VAL 71 6.230 10.555 -14.252 65 HG22 VAL 71 1HG2 VAL 71 6.528 9.963 -12.618 66 HG23 VAL 71 2HG2 VAL 71 7.834 9.976 -13.803 67 H ASN 72 H ASN 72 3.147 7.293 -15.005 68 HA ASN 72 HA ASN 72 2.361 9.843 -15.985 69 HB2 ASN 72 1HB ASN 72 1.416 7.045 -16.272 70 HB3 ASN 72 2HB ASN 72 0.231 8.309 -16.590 71 HD21 ASN 72 2HD2 ASN 72 3.447 7.165 -17.456 72 HD22 ASN 72 1HD2 ASN 72 3.439 7.805 -19.061 73 H ALA 73 H ALA 73 1.618 8.083 -13.151 74 HA ALA 73 HA ALA 73 -0.973 8.879 -12.559 75 HB1 ALA 73 3HB ALA 73 -0.599 8.046 -10.485 76 HB2 ALA 73 1HB ALA 73 0.827 7.379 -11.280 77 HB3 ALA 73 2HB ALA 73 0.960 8.853 -10.320 78 H LYS 74 H LYS 74 -1.890 10.778 -12.152 79 HA LYS 74 HA LYS 74 -0.650 13.224 -12.416 80 HB2 LYS 74 1HB LYS 74 -2.663 14.105 -11.088 81 HB3 LYS 74 2HB LYS 74 -2.989 13.226 -12.576 82 HG2 LYS 74 1HG LYS 74 -3.786 11.363 -11.454 83 HG3 LYS 74 2HG LYS 74 -2.977 11.802 -9.947 84 HD2 LYS 74 1HD LYS 74 -4.584 13.355 -9.382 85 HD3 LYS 74 2HD LYS 74 -5.076 13.611 -11.057 86 HE2 LYS 74 1HE LYS 74 -6.339 11.648 -11.109 87 HE3 LYS 74 2HE LYS 74 -5.525 10.978 -9.696 88 HZ1 LYS 74 3HZ LYS 74 -7.909 12.001 -9.518 89 HZ2 LYS 74 1HZ LYS 74 -7.056 13.455 -9.377 90 HZ3 LYS 74 2HZ LYS 74 -6.786 12.206 -8.269 91 HA PRO 75 HA PRO 75 1.486 14.120 -8.688 92 HB2 PRO 75 1HB PRO 75 1.038 16.784 -8.418 93 HB3 PRO 75 2HB PRO 75 2.111 16.111 -9.651 94 HG2 PRO 75 1HG PRO 75 -0.727 17.029 -9.906 95 HG3 PRO 75 2HG PRO 75 0.641 17.304 -11.001 96 HD2 PRO 75 1HD PRO 75 -1.238 15.411 -11.465 97 HD3 PRO 75 2HD PRO 75 0.455 15.217 -11.960 98 H PHE 76 H PHE 76 -0.822 16.662 -8.148 99 HA PHE 76 HA PHE 76 -2.598 15.279 -6.443 100 HB2 PHE 76 1HB PHE 76 -1.842 16.033 -4.269 101 HB3 PHE 76 2HB PHE 76 -0.546 15.127 -5.044 102 HD1 PHE 76 HD1 PHE 76 1.133 16.619 -6.441 103 HD2 PHE 76 HD2 PHE 76 -1.322 18.025 -3.260 104 HE1 PHE 76 HE1 PHE 76 2.662 18.517 -6.104 105 HE2 PHE 76 HE2 PHE 76 0.203 19.925 -2.919 106 HZ PHE 76 HZ PHE 76 2.197 20.174 -4.342 107 H VAL 77 H VAL 77 -3.375 17.186 -4.680 108 HA VAL 77 HA VAL 77 -4.120 19.421 -6.447 109 HB VAL 77 HB VAL 77 -5.594 18.301 -4.060 110 HG11 VAL 77 1HG1 VAL 77 -6.433 20.374 -3.918 111 HG12 VAL 77 2HG1 VAL 77 -5.826 20.832 -5.510 112 HG13 VAL 77 3HG1 VAL 77 -7.342 19.941 -5.365 113 HG21 VAL 77 3HG2 VAL 77 -5.679 16.900 -6.092 114 HG22 VAL 77 1HG2 VAL 77 -7.253 17.570 -5.662 115 HG23 VAL 77 2HG2 VAL 77 -6.327 18.274 -6.987 116 HA PRO 78 HA PRO 78 -1.439 21.363 -3.247 117 HB2 PRO 78 1HB PRO 78 -0.388 23.204 -4.943 118 HB3 PRO 78 2HB PRO 78 0.260 21.567 -4.781 119 HG2 PRO 78 1HG PRO 78 -1.580 22.678 -6.865 120 HG3 PRO 78 2HG PRO 78 -0.184 21.603 -7.063 121 HD2 PRO 78 1HD PRO 78 -2.735 20.695 -7.077 122 HD3 PRO 78 2HD PRO 78 -1.381 19.729 -6.456 123 H ASN 79 H ASN 79 -1.219 23.814 -2.805 124 HA ASN 79 HA ASN 79 -3.786 25.147 -3.364 125 HB2 ASN 79 1HB ASN 79 -3.927 25.936 -1.125 126 HB3 ASN 79 2HB ASN 79 -3.556 24.218 -1.011 127 HD21 ASN 79 2HD2 ASN 79 -3.007 26.812 0.597 128 HD22 ASN 79 1HD2 ASN 79 -1.349 26.635 1.047 129 H VAL 80 H VAL 80 -1.216 25.408 -4.719 130 HA VAL 80 HA VAL 80 -0.419 28.131 -3.950 131 HB VAL 80 HB VAL 80 0.985 26.189 -5.791 132 HG11 VAL 80 1HG1 VAL 80 1.967 28.048 -6.555 133 HG12 VAL 80 2HG1 VAL 80 1.349 29.030 -5.225 134 HG13 VAL 80 3HG1 VAL 80 2.814 28.072 -5.008 135 HG21 VAL 80 3HG2 VAL 80 2.686 26.447 -3.774 136 HG22 VAL 80 1HG2 VAL 80 1.195 26.753 -2.883 137 HG23 VAL 80 2HG2 VAL 80 1.404 25.237 -3.759 138 H HIS 81 H HIS 81 -2.309 29.077 -4.909 139 HA HIS 81 HA HIS 81 -3.092 28.758 -7.574 140 HB2 HIS 81 1HB HIS 81 -4.332 29.955 -5.686 141 HB3 HIS 81 2HB HIS 81 -3.323 31.351 -6.051 142 HD1 HIS 81 HD1 HIS 81 -6.284 29.480 -7.228 143 HD2 HIS 81 HD2 HIS 81 -3.829 32.540 -8.596 144 HE1 HIS 81 HE1 HIS 81 -7.525 30.531 -9.146 145 H ALA 82 H ALA 82 -0.889 31.133 -6.112 146 HA ALA 82 HA ALA 82 -0.279 32.455 -8.548 147 HB1 ALA 82 3HB ALA 82 0.113 33.704 -6.610 148 HB2 ALA 82 1HB ALA 82 1.021 32.401 -5.844 149 HB3 ALA 82 2HB ALA 82 1.725 33.292 -7.194 150 H1 GLY 541 1H GLY 541 12.988 19.904 13.468 151 HA2 GLY 541 1HA GLY 541 11.028 20.024 12.242 152 HA3 GLY 541 2HA GLY 541 10.798 18.302 12.510 153 H GLN 542 H GLN 542 9.697 21.372 13.267 154 HA GLN 542 HA GLN 542 8.486 20.554 15.798 155 HB2 GLN 542 1HB GLN 542 7.898 22.861 16.106 156 HB3 GLN 542 2HB GLN 542 9.578 22.790 15.589 157 HG2 GLN 542 1HG GLN 542 8.483 23.101 13.206 158 HG3 GLN 542 2HG GLN 542 7.192 23.824 14.165 159 HE21 GLN 542 2HE2 GLN 542 7.361 25.915 14.489 160 HE22 GLN 542 1HE2 GLN 542 8.821 26.836 14.481 161 H GLU 543 H GLU 543 6.231 20.667 16.160 162 HA GLU 543 HA GLU 543 4.067 20.178 15.646 163 HB2 GLU 543 1HB GLU 543 4.430 22.580 14.711 164 HB3 GLU 543 2HB GLU 543 4.363 21.799 13.138 165 HG2 GLU 543 1HG GLU 543 2.182 22.431 13.431 166 HG3 GLU 543 2HG GLU 543 2.151 20.775 14.035 167 HA PRO 544 HA PRO 544 5.427 16.988 12.541 168 HB2 PRO 544 1HB PRO 544 4.798 14.855 14.097 169 HB3 PRO 544 2HB PRO 544 6.365 15.668 14.170 170 HG2 PRO 544 1HG PRO 544 3.989 15.969 15.966 171 HG3 PRO 544 2HG PRO 544 5.707 15.856 16.393 172 HD2 PRO 544 1HD PRO 544 4.379 18.215 16.308 173 HD3 PRO 544 2HD PRO 544 6.102 18.075 15.907 174 H LEU 545 H LEU 545 4.098 15.662 11.281 175 HA LEU 545 HA LEU 545 1.357 16.387 11.189 176 HB2 LEU 545 1HB LEU 545 2.857 15.680 9.264 177 HB3 LEU 545 2HB LEU 545 2.598 14.024 9.806 178 HG LEU 545 HG LEU 545 0.208 14.244 9.373 179 HD11 LEU 545 1HD1 LEU 545 -0.576 16.340 9.570 180 HD12 LEU 545 2HD1 LEU 545 -0.187 16.445 7.853 181 HD13 LEU 545 3HD1 LEU 545 0.944 17.071 9.053 182 HD21 LEU 545 3HD2 LEU 545 0.532 13.635 7.255 183 HD22 LEU 545 1HD2 LEU 545 2.230 14.046 7.496 184 HD23 LEU 545 2HD2 LEU 545 1.125 15.235 6.806 185 H THR 546 H THR 546 -0.436 14.783 11.155 186 HA THR 546 HA THR 546 -0.114 12.354 12.661 187 HB THR 546 HB THR 546 -1.999 14.306 13.928 188 HG1 THR 546 HG1 THR 546 0.631 14.018 14.909 189 HG21 THR 546 3HG2 THR 546 -2.147 11.972 14.582 190 HG22 THR 546 1HG2 THR 546 -1.510 12.928 15.920 191 HG23 THR 546 2HG2 THR 546 -0.421 11.939 14.946 192 H ALA 547 H ALA 547 -1.947 11.013 12.590 193 HA ALA 547 HA ALA 547 -3.493 11.099 10.306 194 HB1 ALA 547 3HB ALA 547 -3.425 9.018 11.287 195 HB2 ALA 547 1HB ALA 547 -3.762 9.648 12.900 196 HB3 ALA 547 2HB ALA 547 -5.056 9.544 11.705 197 H SER 548 H SER 548 -4.049 12.615 13.396 198 HA SER 548 HA SER 548 -6.770 13.108 13.309 199 HB2 SER 548 1HB SER 548 -5.493 13.668 15.276 200 HB3 SER 548 2HB SER 548 -4.534 14.844 14.378 201 HG SER 548 HG SER 548 -6.025 16.253 14.777 202 H MET 549 H MET 549 -4.139 14.818 11.701 203 HA MET 549 HA MET 549 -5.462 17.068 10.795 204 HB2 MET 549 1HB MET 549 -3.195 15.439 9.725 205 HB3 MET 549 2HB MET 549 -3.865 16.724 8.727 206 HG2 MET 549 1HG MET 549 -2.052 17.675 9.871 207 HG3 MET 549 2HG MET 549 -3.498 18.269 10.683 208 HE1 MET 549 3HE MET 549 -0.609 17.805 13.412 209 HE2 MET 549 1HE MET 549 -0.568 18.403 11.753 210 HE3 MET 549 2HE MET 549 -1.822 18.961 12.860 211 H LEU 550 H LEU 550 -5.162 13.931 9.129 212 HA LEU 550 HA LEU 550 -7.241 14.749 7.245 213 HB2 LEU 550 1HB LEU 550 -5.296 12.466 7.332 214 HB3 LEU 550 2HB LEU 550 -6.660 12.474 6.216 215 HG LEU 550 HG LEU 550 -5.749 14.667 5.331 216 HD11 LEU 550 1HD1 LEU 550 -3.594 13.908 7.241 217 HD12 LEU 550 2HD1 LEU 550 -4.258 15.496 6.860 218 HD13 LEU 550 3HD1 LEU 550 -3.161 14.705 5.729 219 HD21 LEU 550 3HD2 LEU 550 -5.402 12.214 4.454 220 HD22 LEU 550 1HD2 LEU 550 -3.726 12.524 4.906 221 HD23 LEU 550 2HD2 LEU 550 -4.530 13.568 3.733 222 H ALA 551 H ALA 551 -7.883 14.198 10.030 223 HA ALA 551 HA ALA 551 -9.440 11.718 9.820 224 HB1 ALA 551 3HB ALA 551 -9.577 11.696 12.179 225 HB2 ALA 551 1HB ALA 551 -7.910 12.121 11.790 226 HB3 ALA 551 2HB ALA 551 -9.044 13.373 12.300 227 H SER 552 H SER 552 -9.796 15.123 10.790 228 HA SER 552 HA SER 552 -12.703 14.857 10.446 229 HB2 SER 552 1HB SER 552 -11.011 16.811 11.999 230 HB3 SER 552 2HB SER 552 -12.711 17.124 11.650 231 HG SER 552 HG SER 552 -12.698 16.100 13.585 232 H ALA 553 H ALA 553 -10.878 15.075 8.214 233 HA ALA 553 HA ALA 553 -11.788 17.652 7.111 234 HB1 ALA 553 3HB ALA 553 -9.741 18.181 6.390 235 HB2 ALA 553 1HB ALA 553 -9.166 16.955 7.520 236 HB3 ALA 553 2HB ALA 553 -9.420 16.543 5.823 237 HA PRO 554 HA PRO 554 -13.650 15.485 3.781 238 HB2 PRO 554 1HB PRO 554 -13.134 17.109 1.667 239 HB3 PRO 554 2HB PRO 554 -14.290 17.524 2.937 240 HG2 PRO 554 1HG PRO 554 -11.454 18.419 2.590 241 HG3 PRO 554 2HG PRO 554 -12.878 19.368 3.055 242 HD2 PRO 554 1HD PRO 554 -11.067 18.479 4.861 243 HD3 PRO 554 2HD PRO 554 -12.790 18.660 5.247 244 HA PRO 555 HA PRO 555 -10.823 12.994 1.514 245 HB2 PRO 555 1HB PRO 555 -12.124 12.593 -0.835 246 HB3 PRO 555 2HB PRO 555 -12.632 11.846 0.685 247 HG2 PRO 555 1HG PRO 555 -13.714 14.279 -0.685 248 HG3 PRO 555 2HG PRO 555 -14.592 12.955 0.102 249 HD2 PRO 555 1HD PRO 555 -14.174 15.344 1.305 250 HD3 PRO 555 2HD PRO 555 -14.258 13.820 2.212 251 H GLN 556 H GLN 556 -11.611 16.112 0.419 252 HA GLN 556 HA GLN 556 -9.728 16.017 -1.813 253 HB2 GLN 556 1HB GLN 556 -12.065 17.204 -1.791 254 HB3 GLN 556 2HB GLN 556 -11.190 18.493 -0.974 255 HG2 GLN 556 1HG GLN 556 -9.884 18.960 -2.821 256 HG3 GLN 556 2HG GLN 556 -10.156 17.373 -3.541 257 HE21 GLN 556 2HE2 GLN 556 -12.515 16.943 -4.079 258 HE22 GLN 556 1HE2 GLN 556 -13.371 18.235 -4.842 259 H GLU 557 H GLU 557 -10.216 17.649 1.288 260 HA GLU 557 HA GLU 557 -7.902 19.273 1.145 261 HB2 GLU 557 1HB GLU 557 -9.807 19.699 2.675 262 HB3 GLU 557 2HB GLU 557 -9.351 18.278 3.605 263 HG2 GLU 557 1HG GLU 557 -8.011 19.534 4.826 264 HG3 GLU 557 2HG GLU 557 -7.045 19.874 3.391 265 H GLN 558 H GLN 558 -8.361 15.945 1.792 266 HA GLN 558 HA GLN 558 -6.224 15.380 3.496 267 HB2 GLN 558 1HB GLN 558 -7.401 13.689 1.285 268 HB3 GLN 558 2HB GLN 558 -6.313 13.093 2.532 269 HG2 GLN 558 1HG GLN 558 -8.325 14.349 3.951 270 HG3 GLN 558 2HG GLN 558 -9.167 13.552 2.623 271 HE21 GLN 558 2HE2 GLN 558 -9.382 12.891 5.373 272 HE22 GLN 558 1HE2 GLN 558 -8.799 11.276 5.570 273 H LYS 559 H LYS 559 -6.249 14.823 -0.027 274 HA LYS 559 HA LYS 559 -3.532 14.409 -0.340 275 HB2 LYS 559 1HB LYS 559 -3.906 15.160 -2.721 276 HB3 LYS 559 2HB LYS 559 -4.982 13.891 -2.152 277 HG2 LYS 559 1HG LYS 559 -6.728 15.572 -1.754 278 HG3 LYS 559 2HG LYS 559 -5.648 16.819 -2.382 279 HD2 LYS 559 1HD LYS 559 -7.145 16.165 -4.138 280 HD3 LYS 559 2HD LYS 559 -5.537 15.548 -4.524 281 HE2 LYS 559 1HE LYS 559 -6.191 13.349 -3.638 282 HE3 LYS 559 2HE LYS 559 -7.803 13.976 -3.300 283 HZ1 LYS 559 3HZ LYS 559 -7.323 14.571 -5.941 284 HZ2 LYS 559 1HZ LYS 559 -8.341 13.358 -5.345 285 HZ3 LYS 559 2HZ LYS 559 -6.738 12.996 -5.743 286 H GLN 560 H GLN 560 -5.300 17.405 -0.035 287 HA GLN 560 HA GLN 560 -3.307 19.159 -0.980 288 HB2 GLN 560 1HB GLN 560 -5.630 19.513 0.900 289 HB3 GLN 560 2HB GLN 560 -4.541 20.841 0.519 290 HG2 GLN 560 1HG GLN 560 -5.253 20.983 -1.659 291 HG3 GLN 560 2HG GLN 560 -5.802 19.309 -1.702 292 HE21 GLN 560 2HE2 GLN 560 -6.476 22.239 0.191 293 HE22 GLN 560 1HE2 GLN 560 -8.196 22.097 0.114 294 H MET 561 H MET 561 -4.277 18.657 2.418 295 HA MET 561 HA MET 561 -1.983 19.853 3.507 296 HB2 MET 561 1HB MET 561 -3.713 17.745 4.808 297 HB3 MET 561 2HB MET 561 -2.690 18.919 5.624 298 HG2 MET 561 1HG MET 561 -4.095 20.724 4.923 299 HG3 MET 561 2HG MET 561 -5.049 19.645 3.908 300 HE1 MET 561 3HE MET 561 -5.873 17.520 4.774 301 HE2 MET 561 1HE MET 561 -5.974 17.060 6.474 302 HE3 MET 561 2HE MET 561 -7.337 17.865 5.696 303 H LEU 562 H LEU 562 -2.806 16.396 3.201 304 HA LEU 562 HA LEU 562 -0.460 15.329 4.207 305 HB2 LEU 562 1HB LEU 562 -2.469 14.025 3.672 306 HB3 LEU 562 2HB LEU 562 -2.147 14.248 1.953 307 HG LEU 562 HG LEU 562 -0.027 12.963 3.586 308 HD11 LEU 562 1HD1 LEU 562 -1.515 11.517 4.460 309 HD12 LEU 562 2HD1 LEU 562 -1.434 10.787 2.857 310 HD13 LEU 562 3HD1 LEU 562 -2.750 11.890 3.257 311 HD21 LEU 562 3HD2 LEU 562 0.750 12.628 1.535 312 HD22 LEU 562 1HD2 LEU 562 -0.718 13.310 0.834 313 HD23 LEU 562 2HD2 LEU 562 -0.636 11.588 1.204 314 H GLY 563 H GLY 563 -1.228 15.911 0.767 315 HA2 GLY 563 1HA GLY 563 1.295 15.239 -0.243 316 HA3 GLY 563 2HA GLY 563 0.135 16.293 -1.038 317 H GLU 564 H GLU 564 0.020 18.400 0.755 318 HA GLU 564 HA GLU 564 2.255 19.916 -0.006 319 HB2 GLU 564 1HB GLU 564 0.048 20.334 1.985 320 HB3 GLU 564 2HB GLU 564 1.370 21.486 1.868 321 HG2 GLU 564 1HG GLU 564 0.101 20.763 -0.681 322 HG3 GLU 564 2HG GLU 564 -0.917 21.646 0.454 323 H ARG 565 H ARG 565 1.507 18.171 2.961 324 HA ARG 565 HA ARG 565 3.803 19.144 4.377 325 HB2 ARG 565 1HB ARG 565 1.542 18.169 5.288 326 HB3 ARG 565 2HB ARG 565 2.372 16.626 5.133 327 HG2 ARG 565 1HG ARG 565 3.829 18.782 6.533 328 HG3 ARG 565 2HG ARG 565 2.427 18.093 7.356 329 HD2 ARG 565 1HD ARG 565 3.358 15.908 7.291 330 HD3 ARG 565 2HD ARG 565 4.635 16.417 6.186 331 HE ARG 565 HE ARG 565 4.950 17.953 8.446 332 HH11 ARG 565 1HH1 ARG 565 4.939 14.557 7.683 333 HH12 ARG 565 2HH1 ARG 565 6.038 14.134 8.954 334 HH21 ARG 565 1HH2 ARG 565 6.398 17.410 10.123 335 HH22 ARG 565 2HH2 ARG 565 6.866 15.758 10.342 336 H LEU 566 H LEU 566 3.053 16.359 2.393 337 HA LEU 566 HA LEU 566 5.422 14.900 3.082 338 HB2 LEU 566 1HB LEU 566 3.069 14.504 1.458 339 HB3 LEU 566 2HB LEU 566 4.521 13.993 0.600 340 HG LEU 566 HG LEU 566 4.934 12.773 2.962 341 HD11 LEU 566 1HD1 LEU 566 2.446 11.739 3.193 342 HD12 LEU 566 2HD1 LEU 566 2.072 13.426 2.843 343 HD13 LEU 566 3HD1 LEU 566 3.091 13.017 4.223 344 HD21 LEU 566 3HD2 LEU 566 3.183 11.641 0.785 345 HD22 LEU 566 1HD2 LEU 566 4.227 10.750 1.892 346 HD23 LEU 566 2HD2 LEU 566 4.935 11.804 0.668 347 H PHE 567 H PHE 567 4.596 17.355 0.787 348 HA PHE 567 HA PHE 567 6.422 17.004 -1.234 349 HB2 PHE 567 1HB PHE 567 5.047 18.813 -1.612 350 HB3 PHE 567 2HB PHE 567 5.197 19.407 0.038 351 HD1 PHE 567 HD1 PHE 567 7.607 18.702 -2.726 352 HD2 PHE 567 HD2 PHE 567 6.120 21.498 0.119 353 HE1 PHE 567 HE1 PHE 567 9.276 20.348 -3.476 354 HE2 PHE 567 HE2 PHE 567 7.785 23.148 -0.627 355 HZ PHE 567 HZ PHE 567 9.366 22.574 -2.427 356 HA PRO 568 HA PRO 568 9.783 19.354 1.325 357 HB2 PRO 568 1HB PRO 568 9.276 19.760 3.961 358 HB3 PRO 568 2HB PRO 568 8.813 20.914 2.705 359 HG2 PRO 568 1HG PRO 568 7.146 18.847 4.087 360 HG3 PRO 568 2HG PRO 568 6.739 20.525 3.683 361 HD2 PRO 568 1HD PRO 568 5.889 18.424 2.202 362 HD3 PRO 568 2HD PRO 568 6.246 20.011 1.491 363 H LEU 569 H LEU 569 7.937 17.121 3.403 364 HA LEU 569 HA LEU 569 10.018 15.966 4.794 365 HB2 LEU 569 1HB LEU 569 7.406 15.593 4.823 366 HB3 LEU 569 2HB LEU 569 7.823 14.213 3.809 367 HG LEU 569 HG LEU 569 7.568 13.586 6.162 368 HD11 LEU 569 1HD1 LEU 569 9.325 12.599 4.510 369 HD12 LEU 569 2HD1 LEU 569 9.367 12.152 6.215 370 HD13 LEU 569 3HD1 LEU 569 10.489 13.362 5.593 371 HD21 LEU 569 3HD2 LEU 569 8.325 15.792 7.068 372 HD22 LEU 569 1HD2 LEU 569 9.980 15.308 6.700 373 HD23 LEU 569 2HD2 LEU 569 9.032 14.387 7.866 374 H ILE 570 H ILE 570 8.947 15.349 1.513 375 HA ILE 570 HA ILE 570 10.592 13.029 1.145 376 HB ILE 570 HB ILE 570 9.103 14.782 -0.803 377 HG12 ILE 570 1HG1 ILE 570 8.643 11.902 -0.007 378 HG13 ILE 570 2HG1 ILE 570 7.826 13.265 0.751 379 HG21 ILE 570 1HG2 ILE 570 10.820 14.022 -2.153 380 HG22 ILE 570 2HG2 ILE 570 10.961 12.493 -1.288 381 HG23 ILE 570 3HG2 ILE 570 9.596 12.771 -2.368 382 HD11 ILE 570 3HD1 ILE 570 6.890 11.851 -1.372 383 HD12 ILE 570 1HD1 ILE 570 6.389 13.485 -0.939 384 HD13 ILE 570 2HD1 ILE 570 7.636 13.239 -2.162 385 H GLN 571 H GLN 571 10.935 16.471 0.628 386 HA GLN 571 HA GLN 571 13.139 16.471 -1.093 387 HB2 GLN 571 1HB GLN 571 12.333 18.450 1.043 388 HB3 GLN 571 2HB GLN 571 13.598 18.744 -0.143 389 HG2 GLN 571 1HG GLN 571 11.715 18.181 -1.860 390 HG3 GLN 571 2HG GLN 571 10.648 18.587 -0.516 391 HE21 GLN 571 2HE2 GLN 571 10.533 20.692 0.204 392 HE22 GLN 571 1HE2 GLN 571 11.200 22.019 -0.678 393 H ALA 572 H ALA 572 12.894 15.589 2.202 394 HA ALA 572 HA ALA 572 15.368 16.201 3.259 395 HB1 ALA 572 3HB ALA 572 13.622 15.215 4.602 396 HB2 ALA 572 1HB ALA 572 13.722 13.711 3.686 397 HB3 ALA 572 2HB ALA 572 15.073 14.217 4.701 398 H MET 573 H MET 573 14.542 13.836 0.846 399 HA MET 573 HA MET 573 17.376 13.043 0.718 400 HB2 MET 573 1HB MET 573 16.543 10.833 -0.172 401 HB3 MET 573 2HB MET 573 16.223 11.128 1.531 402 HG2 MET 573 1HG MET 573 13.998 12.113 0.138 403 HG3 MET 573 2HG MET 573 14.392 10.557 -0.590 404 HE1 MET 573 3HE MET 573 11.616 11.271 2.268 405 HE2 MET 573 1HE MET 573 12.909 11.851 3.318 406 HE3 MET 573 2HE MET 573 12.744 12.495 1.685 407 H HIS 574 H HIS 574 14.385 13.656 -1.032 408 HA HIS 574 HA HIS 574 15.984 14.088 -3.465 409 HB2 HIS 574 1HB HIS 574 13.448 12.542 -3.114 410 HB3 HIS 574 2HB HIS 574 13.720 13.398 -4.629 411 HD1 HIS 574 HD1 HIS 574 14.774 10.413 -2.708 412 HD2 HIS 574 HD2 HIS 574 15.892 12.407 -6.177 413 HE1 HIS 574 HE1 HIS 574 16.273 8.819 -3.947 414 HA PRO 575 HA PRO 575 13.631 17.922 -2.352 415 HB2 PRO 575 1HB PRO 575 15.702 19.609 -2.841 416 HB3 PRO 575 2HB PRO 575 15.463 18.807 -1.284 417 HG2 PRO 575 1HG PRO 575 17.295 18.068 -3.533 418 HG3 PRO 575 2HG PRO 575 17.613 18.080 -1.788 419 HD2 PRO 575 1HD PRO 575 17.050 15.809 -3.152 420 HD3 PRO 575 2HD PRO 575 16.574 16.049 -1.458 421 H THR 576 H THR 576 15.111 16.592 -5.085 422 HA THR 576 HA THR 576 14.258 18.787 -6.833 423 HB THR 576 HB THR 576 15.396 17.208 -8.600 424 HG1 THR 576 HG1 THR 576 16.994 16.472 -6.410 425 HG21 THR 576 3HG2 THR 576 16.570 19.130 -8.477 426 HG22 THR 576 1HG2 THR 576 17.694 18.171 -7.514 427 HG23 THR 576 2HG2 THR 576 16.491 19.184 -6.716 428 H LEU 577 H LEU 577 13.899 15.275 -6.437 429 HA LEU 577 HA LEU 577 11.725 15.252 -8.381 430 HB2 LEU 577 1HB LEU 577 13.083 13.036 -6.857 431 HB3 LEU 577 2HB LEU 577 11.768 12.794 -8.005 432 HG LEU 577 HG LEU 577 13.724 12.246 -9.176 433 HD11 LEU 577 1HD1 LEU 577 13.455 13.536 -11.009 434 HD12 LEU 577 2HD1 LEU 577 13.631 15.043 -10.111 435 HD13 LEU 577 3HD1 LEU 577 12.097 14.175 -10.083 436 HD21 LEU 577 3HD2 LEU 577 15.031 13.818 -7.360 437 HD22 LEU 577 1HD2 LEU 577 15.196 14.749 -8.849 438 HD23 LEU 577 2HD2 LEU 577 15.763 13.080 -8.786 439 H ALA 578 H ALA 578 11.727 16.352 -5.485 440 HA ALA 578 HA ALA 578 10.065 14.854 -3.852 441 HB1 ALA 578 3HB ALA 578 9.984 16.680 -2.526 442 HB2 ALA 578 1HB ALA 578 11.252 17.251 -3.612 443 HB3 ALA 578 2HB ALA 578 9.582 17.764 -3.858 444 H GLY 579 H GLY 579 9.079 17.433 -6.120 445 HA2 GLY 579 1HA GLY 579 6.348 17.276 -5.816 446 HA3 GLY 579 2HA GLY 579 7.140 17.700 -7.326 447 H LYS 580 H LYS 580 8.306 15.418 -8.140 448 HA LYS 580 HA LYS 580 6.164 13.948 -9.215 449 HB2 LYS 580 1HB LYS 580 9.100 13.247 -9.032 450 HB3 LYS 580 2HB LYS 580 7.927 12.385 -10.019 451 HG2 LYS 580 1HG LYS 580 7.477 14.587 -11.175 452 HG3 LYS 580 2HG LYS 580 8.905 15.206 -10.342 453 HD2 LYS 580 1HD LYS 580 10.292 14.164 -11.751 454 HD3 LYS 580 2HD LYS 580 9.394 12.649 -11.637 455 HE2 LYS 580 1HE LYS 580 9.444 13.570 -13.928 456 HE3 LYS 580 2HE LYS 580 7.810 13.413 -13.287 457 HZ1 LYS 580 3HZ LYS 580 9.342 15.949 -13.207 458 HZ2 LYS 580 1HZ LYS 580 7.693 15.728 -12.900 459 HZ3 LYS 580 2HZ LYS 580 8.293 15.543 -14.470 460 H ILE 581 H ILE 581 8.505 13.107 -6.672 461 HA ILE 581 HA ILE 581 7.593 10.542 -6.111 462 HB ILE 581 HB ILE 581 8.779 12.573 -4.216 463 HG12 ILE 581 1HG1 ILE 581 10.240 10.209 -5.318 464 HG13 ILE 581 2HG1 ILE 581 10.011 11.615 -6.352 465 HG21 ILE 581 1HG2 ILE 581 9.351 10.625 -2.811 466 HG22 ILE 581 2HG2 ILE 581 7.613 10.882 -2.949 467 HG23 ILE 581 3HG2 ILE 581 8.391 9.602 -3.880 468 HD11 ILE 581 3HD1 ILE 581 12.069 12.005 -5.394 469 HD12 ILE 581 1HD1 ILE 581 10.986 12.936 -4.360 470 HD13 ILE 581 2HD1 ILE 581 11.578 11.363 -3.827 471 H THR 582 H THR 582 6.783 13.512 -4.301 472 HA THR 582 HA THR 582 4.807 12.401 -2.688 473 HB THR 582 HB THR 582 5.842 14.686 -2.421 474 HG1 THR 582 HG1 THR 582 3.067 14.188 -2.229 475 HG21 THR 582 3HG2 THR 582 3.780 15.421 -4.503 476 HG22 THR 582 1HG2 THR 582 5.530 15.491 -4.706 477 HG23 THR 582 2HG2 THR 582 4.732 16.562 -3.554 478 H GLY 583 H GLY 583 4.646 13.587 -5.983 479 HA2 GLY 583 1HA GLY 583 1.857 13.805 -6.239 480 HA3 GLY 583 2HA GLY 583 2.979 13.506 -7.558 481 H MET 584 H MET 584 3.920 11.118 -7.366 482 HA MET 584 HA MET 584 1.767 9.403 -7.953 483 HB2 MET 584 1HB MET 584 4.604 8.623 -7.261 484 HB3 MET 584 2HB MET 584 3.436 7.645 -8.140 485 HG2 MET 584 1HG MET 584 3.533 9.034 -10.029 486 HG3 MET 584 2HG MET 584 4.346 10.320 -9.140 487 HE1 MET 584 3HE MET 584 7.900 8.830 -8.575 488 HE2 MET 584 1HE MET 584 7.042 10.365 -8.717 489 HE3 MET 584 2HE MET 584 6.501 9.157 -7.551 490 H LEU 585 H LEU 585 3.869 9.645 -5.104 491 HA LEU 585 HA LEU 585 2.846 7.469 -3.682 492 HB2 LEU 585 1HB LEU 585 4.319 9.946 -2.994 493 HB3 LEU 585 2HB LEU 585 3.529 9.087 -1.674 494 HG LEU 585 HG LEU 585 4.848 7.124 -2.084 495 HD11 LEU 585 1HD1 LEU 585 5.432 8.493 -4.628 496 HD12 LEU 585 2HD1 LEU 585 5.270 6.774 -4.270 497 HD13 LEU 585 3HD1 LEU 585 6.773 7.615 -3.892 498 HD21 LEU 585 3HD2 LEU 585 7.164 8.739 -2.266 499 HD22 LEU 585 1HD2 LEU 585 6.417 8.052 -0.823 500 HD23 LEU 585 2HD2 LEU 585 5.942 9.656 -1.382 501 H LEU 586 H LEU 586 1.638 10.721 -4.090 502 HA LEU 586 HA LEU 586 -0.338 10.489 -2.006 503 HB2 LEU 586 1HB LEU 586 0.561 12.661 -2.508 504 HB3 LEU 586 2HB LEU 586 0.076 12.516 -4.196 505 HG LEU 586 HG LEU 586 -2.096 12.362 -2.198 506 HD11 LEU 586 1HD1 LEU 586 -0.227 14.612 -2.325 507 HD12 LEU 586 2HD1 LEU 586 -1.403 14.177 -1.086 508 HD13 LEU 586 3HD1 LEU 586 -1.922 15.057 -2.523 509 HD21 LEU 586 3HD2 LEU 586 -2.810 14.171 -4.073 510 HD22 LEU 586 1HD2 LEU 586 -3.049 12.431 -4.235 511 HD23 LEU 586 2HD2 LEU 586 -1.649 13.202 -4.982 512 H GLU 587 H GLU 587 -0.096 9.619 -5.308 513 HA GLU 587 HA GLU 587 -2.905 9.675 -5.889 514 HB2 GLU 587 1HB GLU 587 -1.265 9.896 -7.683 515 HB3 GLU 587 2HB GLU 587 -0.617 8.305 -7.312 516 HG2 GLU 587 1HG GLU 587 -2.156 8.447 -9.297 517 HG3 GLU 587 2HG GLU 587 -2.547 7.218 -8.096 518 H ILE 588 H ILE 588 -0.574 7.000 -5.501 519 HA ILE 588 HA ILE 588 -2.077 4.805 -5.623 520 HB ILE 588 HB ILE 588 -0.788 4.146 -3.343 521 HG12 ILE 588 1HG1 ILE 588 1.058 6.190 -4.539 522 HG13 ILE 588 2HG1 ILE 588 -0.086 6.657 -3.286 523 HG21 ILE 588 1HG2 ILE 588 0.005 4.246 -6.201 524 HG22 ILE 588 2HG2 ILE 588 1.239 3.816 -5.018 525 HG23 ILE 588 3HG2 ILE 588 -0.237 2.859 -5.140 526 HD11 ILE 588 3HD1 ILE 588 0.891 5.028 -1.772 527 HD12 ILE 588 1HD1 ILE 588 2.018 4.522 -3.030 528 HD13 ILE 588 2HD1 ILE 588 2.110 6.154 -2.367 529 H ASP 589 H ASP 589 -1.742 6.524 -2.512 530 HA ASP 589 HA ASP 589 -4.429 6.706 -1.885 531 HB2 ASP 589 1HB ASP 589 -3.522 4.017 -1.730 532 HB3 ASP 589 2HB ASP 589 -3.790 4.581 -0.083 533 H ASN 590 H ASN 590 -4.254 8.400 -0.582 534 HA ASN 590 HA ASN 590 -2.041 9.163 0.884 535 HB2 ASN 590 1HB ASN 590 -4.966 9.806 1.170 536 HB3 ASN 590 2HB ASN 590 -3.775 10.490 2.272 537 HD21 ASN 590 2HD2 ASN 590 -5.517 11.759 0.273 538 HD22 ASN 590 1HD2 ASN 590 -4.459 12.643 -0.768 539 H SER 591 H SER 591 -4.881 7.339 1.986 540 HA SER 591 HA SER 591 -4.313 7.133 4.674 541 HB2 SER 591 1HB SER 591 -5.872 5.572 2.729 542 HB3 SER 591 2HB SER 591 -5.339 4.650 4.134 543 HG SER 591 HG SER 591 -7.333 6.401 3.971 544 H GLU 592 H GLU 592 -3.092 5.132 2.018 545 HA GLU 592 HA GLU 592 -1.679 3.276 3.581 546 HB2 GLU 592 1HB GLU 592 -2.218 3.086 1.124 547 HB3 GLU 592 2HB GLU 592 -0.906 4.216 0.818 548 HG2 GLU 592 1HG GLU 592 0.179 2.243 0.499 549 HG3 GLU 592 2HG GLU 592 0.484 2.487 2.218 550 H LEU 593 H LEU 593 -0.784 6.436 2.310 551 HA LEU 593 HA LEU 593 1.964 6.305 2.954 552 HB2 LEU 593 1HB LEU 593 0.477 8.889 2.986 553 HB3 LEU 593 2HB LEU 593 2.080 8.526 2.349 554 HG LEU 593 HG LEU 593 -0.573 7.865 1.077 555 HD11 LEU 593 1HD1 LEU 593 -0.288 9.663 -0.222 556 HD12 LEU 593 2HD1 LEU 593 1.443 9.380 -0.400 557 HD13 LEU 593 3HD1 LEU 593 0.828 10.207 1.031 558 HD21 LEU 593 3HD2 LEU 593 2.144 7.318 -0.084 559 HD22 LEU 593 1HD2 LEU 593 0.571 6.765 -0.657 560 HD23 LEU 593 2HD2 LEU 593 1.247 6.107 0.833 561 H LEU 594 H LEU 594 -0.865 7.454 4.732 562 HA LEU 594 HA LEU 594 0.502 8.571 6.920 563 HB2 LEU 594 1HB LEU 594 -2.255 7.643 6.373 564 HB3 LEU 594 2HB LEU 594 -1.791 7.810 8.065 565 HG LEU 594 HG LEU 594 -1.653 10.015 6.010 566 HD11 LEU 594 1HD1 LEU 594 -3.671 9.497 8.189 567 HD12 LEU 594 2HD1 LEU 594 -3.957 9.398 6.452 568 HD13 LEU 594 3HD1 LEU 594 -3.583 10.952 7.196 569 HD21 LEU 594 3HD2 LEU 594 -0.312 9.752 8.420 570 HD22 LEU 594 1HD2 LEU 594 -1.708 10.757 8.810 571 HD23 LEU 594 2HD2 LEU 594 -0.596 11.250 7.532 572 H HIS 595 H HIS 595 0.080 5.333 5.968 573 HA HIS 595 HA HIS 595 0.719 4.358 8.669 574 HB2 HIS 595 1HB HIS 595 -1.266 3.476 7.125 575 HB3 HIS 595 2HB HIS 595 0.025 2.474 6.467 576 HD1 HIS 595 HD1 HIS 595 -2.124 2.919 9.460 577 HD2 HIS 595 HD2 HIS 595 1.087 0.565 8.272 578 HE1 HIS 595 HE1 HIS 595 -1.983 1.067 11.156 579 H MET 596 H MET 596 1.968 4.801 5.508 580 HA MET 596 HA MET 596 4.074 2.833 5.787 581 HB2 MET 596 1HB MET 596 3.250 4.785 3.677 582 HB3 MET 596 2HB MET 596 4.882 4.132 3.644 583 HG2 MET 596 1HG MET 596 3.852 1.842 3.702 584 HG3 MET 596 2HG MET 596 2.293 2.624 3.452 585 HE1 MET 596 3HE MET 596 2.344 4.701 1.711 586 HE2 MET 596 1HE MET 596 4.018 5.067 1.292 587 HE3 MET 596 2HE MET 596 2.912 4.465 0.058 588 H LEU 597 H LEU 597 3.741 6.354 5.883 589 HA LEU 597 HA LEU 597 6.473 6.963 6.157 590 HB2 LEU 597 1HB LEU 597 5.816 9.121 6.485 591 HB3 LEU 597 2HB LEU 597 4.371 8.467 5.718 592 HG LEU 597 HG LEU 597 3.611 9.823 7.486 593 HD11 LEU 597 1HD1 LEU 597 3.385 7.450 9.126 594 HD12 LEU 597 2HD1 LEU 597 3.090 7.102 7.423 595 HD13 LEU 597 3HD1 LEU 597 2.141 8.340 8.247 596 HD21 LEU 597 3HD2 LEU 597 4.688 10.197 9.415 597 HD22 LEU 597 1HD2 LEU 597 6.050 9.400 8.628 598 HD23 LEU 597 2HD2 LEU 597 4.987 8.482 9.695 599 H GLU 598 H GLU 598 4.323 5.464 8.295 600 HA GLU 598 HA GLU 598 5.350 6.387 10.772 601 HB2 GLU 598 1HB GLU 598 3.973 4.824 11.768 602 HB3 GLU 598 2HB GLU 598 3.166 5.057 10.224 603 HG2 GLU 598 1HG GLU 598 4.472 3.049 9.400 604 HG3 GLU 598 2HG GLU 598 4.892 2.761 11.088 605 H SER 599 H SER 599 6.609 4.311 8.396 606 HA SER 599 HA SER 599 8.663 3.364 10.284 607 HB2 SER 599 1HB SER 599 6.921 1.683 9.120 608 HB3 SER 599 2HB SER 599 8.135 1.753 7.843 609 HG SER 599 HG SER 599 8.472 0.089 9.465 610 HA PRO 600 HA PRO 600 11.579 5.350 7.655 611 HB2 PRO 600 1HB PRO 600 13.799 3.935 8.320 612 HB3 PRO 600 2HB PRO 600 13.066 5.135 9.393 613 HG2 PRO 600 1HG PRO 600 12.800 2.153 9.423 614 HG3 PRO 600 2HG PRO 600 13.026 3.270 10.782 615 HD2 PRO 600 1HD PRO 600 10.610 2.234 10.134 616 HD3 PRO 600 2HD PRO 600 10.797 3.853 10.836 617 H GLU 601 H GLU 601 11.888 1.794 7.747 618 HA GLU 601 HA GLU 601 13.178 1.492 5.291 619 HB2 GLU 601 1HB GLU 601 12.750 -0.239 7.158 620 HB3 GLU 601 2HB GLU 601 11.214 -0.523 6.351 621 HG2 GLU 601 1HG GLU 601 12.252 -1.336 4.415 622 HG3 GLU 601 2HG GLU 601 13.823 -0.691 4.886 623 H SER 602 H SER 602 9.880 2.183 6.025 624 HA SER 602 HA SER 602 8.886 1.380 3.428 625 HB2 SER 602 1HB SER 602 7.358 1.111 5.252 626 HB3 SER 602 2HB SER 602 7.598 2.778 5.778 627 HG SER 602 HG SER 602 6.090 1.772 3.656 628 H LEU 603 H LEU 603 9.336 4.438 5.189 629 HA LEU 603 HA LEU 603 8.460 6.208 3.262 630 HB2 LEU 603 1HB LEU 603 9.064 6.893 5.508 631 HB3 LEU 603 2HB LEU 603 10.757 6.521 5.189 632 HG LEU 603 HG LEU 603 9.951 8.987 5.156 633 HD11 LEU 603 1HD1 LEU 603 11.458 8.512 2.692 634 HD12 LEU 603 2HD1 LEU 603 12.097 7.682 4.110 635 HD13 LEU 603 3HD1 LEU 603 11.891 9.433 4.132 636 HD21 LEU 603 3HD2 LEU 603 8.050 8.548 3.631 637 HD22 LEU 603 1HD2 LEU 603 9.203 8.149 2.358 638 HD23 LEU 603 2HD2 LEU 603 9.157 9.781 3.025 639 H ARG 604 H ARG 604 11.891 5.388 3.814 640 HA ARG 604 HA ARG 604 12.906 6.566 1.522 641 HB2 ARG 604 1HB ARG 604 14.827 5.005 1.785 642 HB3 ARG 604 2HB ARG 604 14.376 5.819 3.276 643 HG2 ARG 604 1HG ARG 604 12.905 3.570 3.490 644 HG3 ARG 604 2HG ARG 604 14.288 2.968 2.574 645 HD2 ARG 604 1HD ARG 604 14.335 4.385 5.234 646 HD3 ARG 604 2HD ARG 604 14.731 2.696 4.920 647 HE ARG 604 HE ARG 604 16.447 4.185 3.358 648 HH11 ARG 604 1HH1 ARG 604 15.739 3.852 6.750 649 HH12 ARG 604 2HH1 ARG 604 17.348 4.246 7.258 650 HH21 ARG 604 1HH2 ARG 604 18.569 4.705 4.014 651 HH22 ARG 604 2HH2 ARG 604 18.957 4.732 5.701 652 H SER 605 H SER 605 11.711 3.262 1.987 653 HA SER 605 HA SER 605 12.375 2.145 -0.444 654 HB2 SER 605 1HB SER 605 11.418 0.718 1.189 655 HB3 SER 605 2HB SER 605 9.977 1.724 1.338 656 HG SER 605 HG SER 605 10.685 0.378 -1.053 657 H LYS 606 H LYS 606 9.392 3.918 0.355 658 HA LYS 606 HA LYS 606 8.247 3.803 -2.203 659 HB2 LYS 606 1HB LYS 606 7.907 5.749 0.075 660 HB3 LYS 606 2HB LYS 606 6.971 5.863 -1.409 661 HG2 LYS 606 1HG LYS 606 7.019 3.490 0.444 662 HG3 LYS 606 2HG LYS 606 5.750 4.715 0.372 663 HD2 LYS 606 1HD LYS 606 6.561 2.863 -1.870 664 HD3 LYS 606 2HD LYS 606 5.112 2.714 -0.874 665 HE2 LYS 606 1HE LYS 606 4.380 4.935 -1.689 666 HE3 LYS 606 2HE LYS 606 5.787 4.977 -2.751 667 HZ1 LYS 606 3HZ LYS 606 4.907 2.821 -3.691 668 HZ2 LYS 606 1HZ LYS 606 4.022 4.214 -4.063 669 HZ3 LYS 606 2HZ LYS 606 3.463 3.149 -2.873 670 H VAL 607 H VAL 607 10.068 6.455 -0.664 671 HA VAL 607 HA VAL 607 10.109 8.242 -2.761 672 HB VAL 607 HB VAL 607 12.326 7.690 -0.783 673 HG11 VAL 607 1HG1 VAL 607 12.075 9.615 -2.977 674 HG12 VAL 607 2HG1 VAL 607 12.503 10.333 -1.422 675 HG13 VAL 607 3HG1 VAL 607 13.507 9.058 -2.113 676 HG21 VAL 607 3HG2 VAL 607 11.236 8.968 0.724 677 HG22 VAL 607 1HG2 VAL 607 10.585 10.050 -0.507 678 HG23 VAL 607 2HG2 VAL 607 9.815 8.492 -0.206 679 H ASP 608 H ASP 608 12.439 5.635 -2.102 680 HA ASP 608 HA ASP 608 14.140 6.096 -4.266 681 HB2 ASP 608 1HB ASP 608 14.618 4.564 -2.357 682 HB3 ASP 608 2HB ASP 608 13.470 3.414 -3.038 683 H GLU 609 H GLU 609 11.405 3.823 -4.026 684 HA GLU 609 HA GLU 609 11.490 2.798 -6.594 685 HB2 GLU 609 1HB GLU 609 9.270 3.227 -4.630 686 HB3 GLU 609 2HB GLU 609 8.896 2.650 -6.248 687 HG2 GLU 609 1HG GLU 609 10.945 1.293 -4.535 688 HG3 GLU 609 2HG GLU 609 9.227 0.922 -4.399 689 H ALA 610 H ALA 610 9.563 5.571 -5.451 690 HA ALA 610 HA ALA 610 8.397 6.315 -7.836 691 HB1 ALA 610 3HB ALA 610 7.545 7.841 -6.472 692 HB2 ALA 610 1HB ALA 610 8.780 7.483 -5.264 693 HB3 ALA 610 2HB ALA 610 9.082 8.706 -6.499 694 H VAL 611 H VAL 611 11.378 7.747 -6.486 695 HA VAL 611 HA VAL 611 12.105 9.311 -8.628 696 HB VAL 611 HB VAL 611 13.992 7.770 -6.840 697 HG11 VAL 611 1HG1 VAL 611 14.437 9.585 -9.034 698 HG12 VAL 611 2HG1 VAL 611 15.094 10.239 -7.533 699 HG13 VAL 611 3HG1 VAL 611 15.601 8.647 -8.099 700 HG21 VAL 611 3HG2 VAL 611 13.588 10.590 -6.261 701 HG22 VAL 611 1HG2 VAL 611 12.107 9.646 -6.102 702 HG23 VAL 611 2HG2 VAL 611 13.543 9.196 -5.181 703 H ALA 612 H ALA 612 12.790 5.876 -8.110 704 HA ALA 612 HA ALA 612 14.465 5.468 -10.316 705 HB1 ALA 612 3HB ALA 612 14.061 3.879 -8.410 706 HB2 ALA 612 1HB ALA 612 12.549 3.432 -9.201 707 HB3 ALA 612 2HB ALA 612 14.088 3.144 -10.013 708 H VAL 613 H VAL 613 10.944 5.363 -10.025 709 HA VAL 613 HA VAL 613 10.417 4.380 -12.620 710 HB VAL 613 HB VAL 613 8.683 6.075 -10.817 711 HG11 VAL 613 1HG1 VAL 613 8.321 5.317 -13.541 712 HG12 VAL 613 2HG1 VAL 613 7.146 4.453 -12.548 713 HG13 VAL 613 3HG1 VAL 613 7.228 6.214 -12.487 714 HG21 VAL 613 3HG2 VAL 613 9.343 3.217 -10.927 715 HG22 VAL 613 1HG2 VAL 613 8.727 4.191 -9.592 716 HG23 VAL 613 2HG2 VAL 613 7.620 3.574 -10.819 717 H LEU 614 H LEU 614 10.782 7.644 -11.326 718 HA LEU 614 HA LEU 614 9.888 9.157 -13.449 719 HB2 LEU 614 1HB LEU 614 12.365 9.817 -11.877 720 HB3 LEU 614 2HB LEU 614 11.228 10.935 -12.627 721 HG LEU 614 HG LEU 614 10.814 9.271 -10.151 722 HD11 LEU 614 1HD1 LEU 614 11.120 12.188 -10.742 723 HD12 LEU 614 2HD1 LEU 614 11.941 11.201 -9.534 724 HD13 LEU 614 3HD1 LEU 614 10.249 11.644 -9.309 725 HD21 LEU 614 3HD2 LEU 614 8.734 9.116 -11.201 726 HD22 LEU 614 1HD2 LEU 614 8.842 10.747 -11.862 727 HD23 LEU 614 2HD2 LEU 614 8.570 10.513 -10.135 728 H GLN 615 H GLN 615 12.821 7.299 -13.163 729 HA GLN 615 HA GLN 615 14.428 8.418 -15.104 730 HB2 GLN 615 1HB GLN 615 15.220 6.607 -13.721 731 HB3 GLN 615 2HB GLN 615 14.031 5.507 -14.405 732 HG2 GLN 615 1HG GLN 615 15.136 5.717 -16.595 733 HG3 GLN 615 2HG GLN 615 16.357 6.749 -15.854 734 HE21 GLN 615 2HE2 GLN 615 18.172 5.664 -15.648 735 HE22 GLN 615 1HE2 GLN 615 18.330 4.032 -15.104 736 H ALA 616 H ALA 616 11.532 6.520 -15.481 737 HA ALA 616 HA ALA 616 11.877 5.874 -18.227 738 HB1 ALA 616 3HB ALA 616 10.023 4.678 -17.927 739 HB2 ALA 616 1HB ALA 616 10.076 5.190 -16.240 740 HB3 ALA 616 2HB ALA 616 9.106 6.091 -17.406 741 H HIS 617 H HIS 617 10.385 8.566 -16.512 742 HA HIS 617 HA HIS 617 9.367 9.758 -18.939 743 HB2 HIS 617 1HB HIS 617 8.422 9.918 -16.492 744 HB3 HIS 617 2HB HIS 617 9.573 11.243 -16.347 745 HD1 HIS 617 HD1 HIS 617 7.620 12.940 -16.122 746 HD2 HIS 617 HD2 HIS 617 7.690 10.873 -19.725 747 HE1 HIS 617 HE1 HIS 617 6.036 14.174 -17.636 748 H GLN 618 H GLN 618 12.092 10.200 -16.762 749 HA GLN 618 HA GLN 618 13.998 11.433 -16.914 750 HB2 GLN 618 1HB GLN 618 13.258 11.097 -19.805 751 HB3 GLN 618 2HB GLN 618 14.667 12.042 -19.342 752 HG2 GLN 618 1HG GLN 618 15.298 9.922 -17.974 753 HG3 GLN 618 2HG GLN 618 14.175 9.115 -19.066 754 HE21 GLN 618 2HE2 GLN 618 15.032 8.313 -20.836 755 HE22 GLN 618 1HE2 GLN 618 16.488 8.844 -21.598 756 H ALA 619 H ALA 619 12.113 12.951 -15.948 757 HA ALA 619 HA ALA 619 11.667 15.317 -17.553 758 HB1 ALA 619 3HB ALA 619 10.325 16.106 -15.745 759 HB2 ALA 619 1HB ALA 619 9.962 14.396 -15.977 760 HB3 ALA 619 2HB ALA 619 11.001 14.904 -14.645 761 H LYS 620 H LYS 620 12.900 14.993 -14.226 762 HA LYS 620 HA LYS 620 14.429 17.413 -14.483 763 HB2 LYS 620 1HB LYS 620 13.267 16.397 -12.371 764 HB3 LYS 620 2HB LYS 620 14.758 15.476 -12.218 765 HG2 LYS 620 1HG LYS 620 15.072 17.349 -10.864 766 HG3 LYS 620 2HG LYS 620 15.961 17.718 -12.344 767 HD2 LYS 620 1HD LYS 620 13.875 18.933 -13.125 768 HD3 LYS 620 2HD LYS 620 13.280 18.772 -11.471 769 HE2 LYS 620 1HE LYS 620 14.283 20.902 -11.586 770 HE3 LYS 620 2HE LYS 620 15.437 19.877 -10.735 771 HZ1 LYS 620 3HZ LYS 620 16.321 21.389 -12.560 772 HZ2 LYS 620 1HZ LYS 620 15.621 20.303 -13.652 773 HZ3 LYS 620 2HZ LYS 620 16.822 19.774 -12.585 774 H GLU 621 H GLU 621 15.023 14.020 -14.834 775 HA GLU 621 HA GLU 621 17.895 14.265 -14.630 776 HB2 GLU 621 1HB GLU 621 16.161 11.956 -15.525 777 HB3 GLU 621 2HB GLU 621 17.901 11.877 -15.290 778 HG2 GLU 621 1HG GLU 621 16.015 12.663 -13.093 779 HG3 GLU 621 2HG GLU 621 16.449 10.986 -13.421 780 H ALA 622 H ALA 622 17.352 16.077 -16.420 781 HA ALA 622 HA ALA 622 17.677 14.854 -19.074 782 HB1 ALA 622 3HB ALA 622 15.798 16.408 -18.848 783 HB2 ALA 622 1HB ALA 622 16.915 17.686 -18.367 784 HB3 ALA 622 2HB ALA 622 17.000 17.004 -19.992 785 H ALA 623 H ALA 623 19.860 14.426 -19.110 786 HA ALA 623 HA ALA 623 21.764 16.501 -18.411 787 HB1 ALA 623 3HB ALA 623 21.840 13.621 -18.807 788 HB2 ALA 623 1HB ALA 623 23.207 14.451 -19.552 789 HB3 ALA 623 2HB ALA 623 22.880 14.658 -17.831 Start of MODEL 17 1 H1 ALA 64 1H ALA 64 1.336 1.214 -2.981 2 HA ALA 64 HA ALA 64 4.232 0.815 -3.369 3 HB1 ALA 64 3HB ALA 64 3.144 1.058 -0.972 4 HB2 ALA 64 1HB ALA 64 2.797 -0.653 -1.222 5 HB3 ALA 64 2HB ALA 64 4.462 -0.072 -1.281 6 H PHE 65 H PHE 65 4.638 -0.668 -4.861 7 HA PHE 65 HA PHE 65 2.826 -2.982 -5.073 8 HB2 PHE 65 1HB PHE 65 4.439 -1.902 -7.376 9 HB3 PHE 65 2HB PHE 65 3.070 -3.008 -7.424 10 HD1 PHE 65 HD2 PHE 65 1.185 -1.566 -5.633 11 HD2 PHE 65 HD1 PHE 65 3.732 -0.148 -8.735 12 HE1 PHE 65 HE2 PHE 65 -0.334 0.333 -6.009 13 HE2 PHE 65 HE1 PHE 65 2.217 1.753 -9.115 14 HZ PHE 65 HZ PHE 65 0.180 1.995 -7.752 15 H SER 66 H SER 66 4.272 -4.543 -6.788 16 HA SER 66 HA SER 66 6.671 -5.149 -5.192 17 HB2 SER 66 1HB SER 66 4.705 -6.816 -5.294 18 HB3 SER 66 2HB SER 66 5.237 -7.136 -6.944 19 HG SER 66 HG SER 66 6.400 -8.559 -5.836 20 H ARG 67 H ARG 67 5.464 -4.442 -8.344 21 HA ARG 67 HA ARG 67 8.025 -5.157 -9.582 22 HB2 ARG 67 1HB ARG 67 5.788 -5.887 -10.575 23 HB3 ARG 67 2HB ARG 67 5.551 -4.200 -11.011 24 HG2 ARG 67 1HG ARG 67 6.412 -5.201 -12.935 25 HG3 ARG 67 2HG ARG 67 7.789 -4.366 -12.213 26 HD2 ARG 67 1HD ARG 67 8.557 -6.457 -11.228 27 HD3 ARG 67 2HD ARG 67 7.161 -7.299 -11.898 28 HE ARG 67 HE ARG 67 8.472 -6.097 -14.024 29 HH11 ARG 67 1HH1 ARG 67 9.139 -8.520 -11.614 30 HH12 ARG 67 2HH1 ARG 67 10.241 -9.403 -12.619 31 HH21 ARG 67 1HH2 ARG 67 9.921 -7.251 -15.356 32 HH22 ARG 67 2HH2 ARG 67 10.685 -8.679 -14.747 33 H GLN 68 H GLN 68 5.694 -2.526 -10.158 34 HA GLN 68 HA GLN 68 7.394 -0.432 -9.370 35 HB2 GLN 68 1HB GLN 68 8.317 0.371 -11.363 36 HB3 GLN 68 2HB GLN 68 8.577 -1.366 -11.455 37 HG2 GLN 68 1HG GLN 68 6.337 0.128 -12.799 38 HG3 GLN 68 2HG GLN 68 7.823 -0.409 -13.581 39 HE21 GLN 68 2HE2 GLN 68 7.949 -2.436 -14.329 40 HE22 GLN 68 1HE2 GLN 68 6.724 -3.638 -14.136 41 H LEU 69 H LEU 69 6.543 1.700 -9.969 42 HA LEU 69 HA LEU 69 3.650 1.552 -10.471 43 HB2 LEU 69 1HB LEU 69 3.545 3.751 -9.357 44 HB3 LEU 69 2HB LEU 69 4.177 2.472 -8.322 45 HG LEU 69 HG LEU 69 6.496 3.450 -9.159 46 HD11 LEU 69 1HD1 LEU 69 6.379 5.895 -9.335 47 HD12 LEU 69 2HD1 LEU 69 4.618 5.802 -9.339 48 HD13 LEU 69 3HD1 LEU 69 5.541 5.094 -10.665 49 HD21 LEU 69 3HD2 LEU 69 4.721 4.028 -6.898 50 HD22 LEU 69 1HD2 LEU 69 5.983 5.230 -7.168 51 HD23 LEU 69 2HD2 LEU 69 6.416 3.538 -6.919 52 H ASN 70 H ASN 70 2.770 3.682 -11.432 53 HA ASN 70 HA ASN 70 4.408 4.316 -13.790 54 HB2 ASN 70 1HB ASN 70 2.225 5.020 -14.815 55 HB3 ASN 70 2HB ASN 70 2.318 3.308 -14.410 56 HD21 ASN 70 2HD2 ASN 70 0.778 6.315 -13.783 57 HD22 ASN 70 1HD2 ASN 70 -0.421 5.722 -12.689 58 H VAL 71 H VAL 71 4.935 6.382 -14.286 59 HA VAL 71 HA VAL 71 4.653 8.367 -12.226 60 HB VAL 71 HB VAL 71 6.713 8.098 -13.635 61 HG11 VAL 71 1HG1 VAL 71 4.961 8.172 -15.745 62 HG12 VAL 71 2HG1 VAL 71 5.686 9.781 -15.784 63 HG13 VAL 71 3HG1 VAL 71 6.712 8.348 -15.857 64 HG21 VAL 71 3HG2 VAL 71 7.246 10.395 -13.604 65 HG22 VAL 71 1HG2 VAL 71 5.567 10.868 -13.862 66 HG23 VAL 71 2HG2 VAL 71 6.060 10.171 -12.319 67 H ASN 72 H ASN 72 2.619 7.357 -14.611 68 HA ASN 72 HA ASN 72 1.665 9.823 -15.652 69 HB2 ASN 72 1HB ASN 72 0.743 6.991 -15.667 70 HB3 ASN 72 2HB ASN 72 -0.452 8.236 -16.023 71 HD21 ASN 72 2HD2 ASN 72 2.162 6.412 -17.192 72 HD22 ASN 72 1HD2 ASN 72 2.282 7.143 -18.753 73 H ALA 73 H ALA 73 1.215 8.192 -12.676 74 HA ALA 73 HA ALA 73 -1.343 9.014 -11.926 75 HB1 ALA 73 3HB ALA 73 -0.331 8.909 -9.556 76 HB2 ALA 73 1HB ALA 73 -0.368 7.437 -10.527 77 HB3 ALA 73 2HB ALA 73 1.131 8.355 -10.372 78 H LYS 74 H LYS 74 -2.175 10.967 -11.652 79 HA LYS 74 HA LYS 74 -0.832 13.361 -11.945 80 HB2 LYS 74 1HB LYS 74 -3.455 12.602 -10.731 81 HB3 LYS 74 2HB LYS 74 -2.877 14.251 -10.529 82 HG2 LYS 74 1HG LYS 74 -2.721 13.253 -13.276 83 HG3 LYS 74 2HG LYS 74 -4.358 13.355 -12.624 84 HD2 LYS 74 1HD LYS 74 -3.600 15.722 -11.838 85 HD3 LYS 74 2HD LYS 74 -2.354 15.529 -13.073 86 HE2 LYS 74 1HE LYS 74 -4.465 14.803 -14.521 87 HE3 LYS 74 2HE LYS 74 -5.291 15.839 -13.359 88 HZ1 LYS 74 3HZ LYS 74 -3.848 17.651 -13.952 89 HZ2 LYS 74 1HZ LYS 74 -4.566 17.037 -15.356 90 HZ3 LYS 74 2HZ LYS 74 -2.956 16.664 -14.997 91 HA PRO 75 HA PRO 75 1.207 14.299 -8.175 92 HB2 PRO 75 1HB PRO 75 0.750 16.963 -7.914 93 HB3 PRO 75 2HB PRO 75 1.846 16.290 -9.127 94 HG2 PRO 75 1HG PRO 75 -0.988 17.204 -9.434 95 HG3 PRO 75 2HG PRO 75 0.399 17.481 -10.504 96 HD2 PRO 75 1HD PRO 75 -1.469 15.584 -11.001 97 HD3 PRO 75 2HD PRO 75 0.234 15.392 -11.466 98 H PHE 76 H PHE 76 -1.127 16.831 -7.688 99 HA PHE 76 HA PHE 76 -2.917 15.439 -6.002 100 HB2 PHE 76 1HB PHE 76 -2.208 16.247 -3.824 101 HB3 PHE 76 2HB PHE 76 -0.904 15.320 -4.559 102 HD1 PHE 76 HD1 PHE 76 0.853 16.726 -5.892 103 HD2 PHE 76 HD2 PHE 76 -1.744 18.306 -2.913 104 HE1 PHE 76 HE1 PHE 76 2.385 18.623 -5.568 105 HE2 PHE 76 HE2 PHE 76 -0.217 20.207 -2.585 106 HZ PHE 76 HZ PHE 76 1.851 20.368 -3.913 107 H VAL 77 H VAL 77 -3.711 17.378 -4.254 108 HA VAL 77 HA VAL 77 -4.488 19.565 -6.067 109 HB VAL 77 HB VAL 77 -5.943 18.487 -3.649 110 HG11 VAL 77 1HG1 VAL 77 -6.955 20.465 -3.563 111 HG12 VAL 77 2HG1 VAL 77 -6.133 21.013 -5.026 112 HG13 VAL 77 3HG1 VAL 77 -7.645 20.112 -5.146 113 HG21 VAL 77 3HG2 VAL 77 -7.508 17.543 -5.137 114 HG22 VAL 77 1HG2 VAL 77 -6.848 18.425 -6.515 115 HG23 VAL 77 2HG2 VAL 77 -5.926 17.110 -5.785 116 HA PRO 78 HA PRO 78 -1.819 21.597 -2.908 117 HB2 PRO 78 1HB PRO 78 -0.766 23.395 -4.648 118 HB3 PRO 78 2HB PRO 78 -0.114 21.766 -4.438 119 HG2 PRO 78 1HG PRO 78 -1.946 22.814 -6.561 120 HG3 PRO 78 2HG PRO 78 -0.545 21.739 -6.723 121 HD2 PRO 78 1HD PRO 78 -3.092 20.822 -6.726 122 HD3 PRO 78 2HD PRO 78 -1.738 19.878 -6.072 123 H ASN 79 H ASN 79 -1.563 24.116 -2.646 124 HA ASN 79 HA ASN 79 -4.237 25.301 -3.009 125 HB2 ASN 79 1HB ASN 79 -3.484 24.758 -0.637 126 HB3 ASN 79 2HB ASN 79 -2.281 26.030 -0.829 127 HD21 ASN 79 2HD2 ASN 79 -2.859 27.918 -0.064 128 HD22 ASN 79 1HD2 ASN 79 -4.475 28.516 0.072 129 H VAL 80 H VAL 80 -1.904 25.426 -4.818 130 HA VAL 80 HA VAL 80 -1.096 28.229 -4.622 131 HB VAL 80 HB VAL 80 0.652 26.567 -5.095 132 HG11 VAL 80 1HG1 VAL 80 -0.565 24.898 -6.293 133 HG12 VAL 80 2HG1 VAL 80 -0.980 26.039 -7.573 134 HG13 VAL 80 3HG1 VAL 80 0.691 25.516 -7.364 135 HG21 VAL 80 3HG2 VAL 80 0.366 28.138 -7.618 136 HG22 VAL 80 1HG2 VAL 80 0.530 28.985 -6.080 137 HG23 VAL 80 2HG2 VAL 80 1.791 27.873 -6.614 138 H HIS 81 H HIS 81 -3.156 26.123 -6.453 139 HA HIS 81 HA HIS 81 -4.491 28.319 -7.681 140 HB2 HIS 81 1HB HIS 81 -2.370 27.947 -9.099 141 HB3 HIS 81 2HB HIS 81 -3.153 26.465 -9.640 142 HD1 HIS 81 HD1 HIS 81 -3.233 30.153 -10.039 143 HD2 HIS 81 HD2 HIS 81 -5.438 26.855 -11.273 144 HE1 HIS 81 HE1 HIS 81 -4.727 30.994 -11.878 145 H ALA 82 H ALA 82 -6.497 27.643 -7.300 146 HA ALA 82 HA ALA 82 -7.229 24.878 -7.263 147 HB1 ALA 82 3HB ALA 82 -8.964 27.343 -7.174 148 HB2 ALA 82 1HB ALA 82 -9.492 25.697 -6.823 149 HB3 ALA 82 2HB ALA 82 -8.305 26.484 -5.782 150 H1 GLY 541 1H GLY 541 7.786 23.847 15.601 151 HA2 GLY 541 1HA GLY 541 7.441 26.031 16.232 152 HA3 GLY 541 2HA GLY 541 7.109 26.394 14.545 153 H GLN 542 H GLN 542 4.887 25.004 13.968 154 HA GLN 542 HA GLN 542 2.857 25.042 15.921 155 HB2 GLN 542 1HB GLN 542 3.506 27.597 14.810 156 HB3 GLN 542 2HB GLN 542 1.906 27.128 14.249 157 HG2 GLN 542 1HG GLN 542 1.549 26.544 16.786 158 HG3 GLN 542 2HG GLN 542 2.861 27.701 17.002 159 HE21 GLN 542 2HE2 GLN 542 0.386 28.187 18.050 160 HE22 GLN 542 1HE2 GLN 542 -0.362 29.493 17.202 161 H GLU 543 H GLU 543 0.668 24.777 14.944 162 HA GLU 543 HA GLU 543 -0.692 23.556 13.583 163 HB2 GLU 543 1HB GLU 543 0.933 24.895 11.413 164 HB3 GLU 543 2HB GLU 543 -0.652 24.161 11.212 165 HG2 GLU 543 1HG GLU 543 -0.227 26.390 13.160 166 HG3 GLU 543 2HG GLU 543 -0.485 26.713 11.446 167 HA PRO 544 HA PRO 544 2.627 20.340 12.930 168 HB2 PRO 544 1HB PRO 544 1.538 18.511 14.615 169 HB3 PRO 544 2HB PRO 544 2.662 19.763 15.154 170 HG2 PRO 544 1HG PRO 544 -0.326 19.702 15.321 171 HG3 PRO 544 2HG PRO 544 0.852 20.220 16.541 172 HD2 PRO 544 1HD PRO 544 -0.513 21.975 14.996 173 HD3 PRO 544 2HD PRO 544 1.139 22.289 15.568 174 H LEU 545 H LEU 545 2.312 18.099 12.141 175 HA LEU 545 HA LEU 545 -0.292 17.793 10.796 176 HB2 LEU 545 1HB LEU 545 1.918 18.299 9.469 177 HB3 LEU 545 2HB LEU 545 2.197 16.574 9.699 178 HG LEU 545 HG LEU 545 1.209 17.077 7.511 179 HD11 LEU 545 1HD1 LEU 545 -1.007 15.711 8.912 180 HD12 LEU 545 2HD1 LEU 545 0.607 15.031 9.120 181 HD13 LEU 545 3HD1 LEU 545 -0.071 15.212 7.502 182 HD21 LEU 545 3HD2 LEU 545 -0.246 18.973 8.796 183 HD22 LEU 545 1HD2 LEU 545 -1.442 17.690 8.615 184 HD23 LEU 545 2HD2 LEU 545 -0.623 18.338 7.194 185 H THR 546 H THR 546 -1.342 15.906 11.022 186 HA THR 546 HA THR 546 0.009 13.473 11.752 187 HB THR 546 HB THR 546 -2.096 14.213 13.723 188 HG1 THR 546 HG1 THR 546 -0.879 15.635 14.738 189 HG21 THR 546 3HG2 THR 546 -1.347 12.075 14.115 190 HG22 THR 546 1HG2 THR 546 -0.252 12.987 15.152 191 HG23 THR 546 2HG2 THR 546 0.291 12.432 13.569 192 H ALA 547 H ALA 547 -1.622 11.673 12.111 193 HA ALA 547 HA ALA 547 -3.302 11.429 9.925 194 HB1 ALA 547 3HB ALA 547 -2.446 9.752 11.892 195 HB2 ALA 547 1HB ALA 547 -4.165 9.889 12.262 196 HB3 ALA 547 2HB ALA 547 -3.647 9.342 10.667 197 H SER 548 H SER 548 -3.910 12.866 13.033 198 HA SER 548 HA SER 548 -6.708 12.803 13.069 199 HB2 SER 548 1HB SER 548 -6.488 14.839 14.550 200 HB3 SER 548 2HB SER 548 -5.537 13.444 15.059 201 HG SER 548 HG SER 548 -4.428 15.539 15.039 202 H MET 549 H MET 549 -4.459 15.078 11.576 203 HA MET 549 HA MET 549 -6.223 17.082 10.830 204 HB2 MET 549 1HB MET 549 -3.794 16.041 9.363 205 HB3 MET 549 2HB MET 549 -4.619 17.544 8.974 206 HG2 MET 549 1HG MET 549 -3.555 17.033 11.723 207 HG3 MET 549 2HG MET 549 -2.514 17.634 10.434 208 HE1 MET 549 3HE MET 549 -3.671 20.743 9.298 209 HE2 MET 549 1HE MET 549 -2.466 20.896 10.576 210 HE3 MET 549 2HE MET 549 -2.408 19.524 9.470 211 H LEU 550 H LEU 550 -5.560 13.983 9.293 212 HA LEU 550 HA LEU 550 -7.455 14.590 7.151 213 HB2 LEU 550 1HB LEU 550 -5.392 12.476 7.598 214 HB3 LEU 550 2HB LEU 550 -6.701 12.190 6.453 215 HG LEU 550 HG LEU 550 -5.965 14.337 5.306 216 HD11 LEU 550 1HD1 LEU 550 -4.613 15.433 6.843 217 HD12 LEU 550 2HD1 LEU 550 -3.452 14.737 5.713 218 HD13 LEU 550 3HD1 LEU 550 -3.737 13.964 7.272 219 HD21 LEU 550 3HD2 LEU 550 -5.433 11.874 4.694 220 HD22 LEU 550 1HD2 LEU 550 -3.804 12.270 5.243 221 HD23 LEU 550 2HD2 LEU 550 -4.530 13.173 3.913 222 H ALA 551 H ALA 551 -8.231 14.119 9.986 223 HA ALA 551 HA ALA 551 -9.818 11.663 9.697 224 HB1 ALA 551 3HB ALA 551 -8.384 11.875 11.707 225 HB2 ALA 551 1HB ALA 551 -9.331 13.282 12.193 226 HB3 ALA 551 2HB ALA 551 -10.097 11.696 12.087 227 H SER 552 H SER 552 -10.064 15.114 10.395 228 HA SER 552 HA SER 552 -12.992 14.908 10.180 229 HB2 SER 552 1HB SER 552 -13.144 16.965 11.419 230 HB3 SER 552 2HB SER 552 -12.037 15.901 12.286 231 HG SER 552 HG SER 552 -11.428 18.229 11.848 232 H ALA 553 H ALA 553 -11.064 14.965 7.948 233 HA ALA 553 HA ALA 553 -12.060 17.398 6.616 234 HB1 ALA 553 3HB ALA 553 -9.559 16.319 5.547 235 HB2 ALA 553 1HB ALA 553 -10.024 17.985 5.891 236 HB3 ALA 553 2HB ALA 553 -9.432 16.948 7.190 237 HA PRO 554 HA PRO 554 -13.640 14.866 3.399 238 HB2 PRO 554 1HB PRO 554 -13.135 16.354 1.185 239 HB3 PRO 554 2HB PRO 554 -14.368 16.789 2.374 240 HG2 PRO 554 1HG PRO 554 -11.581 17.837 2.066 241 HG3 PRO 554 2HG PRO 554 -13.080 18.724 2.400 242 HD2 PRO 554 1HD PRO 554 -11.296 18.095 4.338 243 HD3 PRO 554 2HD PRO 554 -13.043 18.193 4.642 244 HA PRO 555 HA PRO 555 -10.572 12.400 1.440 245 HB2 PRO 555 1HB PRO 555 -11.739 11.747 -0.922 246 HB3 PRO 555 2HB PRO 555 -12.270 11.083 0.627 247 HG2 PRO 555 1HG PRO 555 -13.431 13.336 -0.965 248 HG3 PRO 555 2HG PRO 555 -14.264 12.020 -0.116 249 HD2 PRO 555 1HD PRO 555 -14.044 14.513 0.918 250 HD3 PRO 555 2HD PRO 555 -14.078 13.057 1.934 251 H GLN 556 H GLN 556 -11.469 15.385 0.112 252 HA GLN 556 HA GLN 556 -9.488 15.242 -2.036 253 HB2 GLN 556 1HB GLN 556 -11.841 16.230 -2.329 254 HB3 GLN 556 2HB GLN 556 -11.246 17.604 -1.405 255 HG2 GLN 556 1HG GLN 556 -9.683 18.178 -3.058 256 HG3 GLN 556 2HG GLN 556 -9.853 16.624 -3.873 257 HE21 GLN 556 2HE2 GLN 556 -10.482 17.312 -5.843 258 HE22 GLN 556 1HE2 GLN 556 -11.942 18.182 -6.150 259 H GLU 557 H GLU 557 -10.213 17.021 0.929 260 HA GLU 557 HA GLU 557 -8.039 18.820 0.771 261 HB2 GLU 557 1HB GLU 557 -9.817 17.874 2.994 262 HB3 GLU 557 2HB GLU 557 -8.423 18.884 3.349 263 HG2 GLU 557 1HG GLU 557 -10.369 19.738 1.258 264 HG3 GLU 557 2HG GLU 557 -10.757 19.957 2.964 265 H GLN 558 H GLN 558 -8.247 15.500 1.610 266 HA GLN 558 HA GLN 558 -6.109 15.206 3.372 267 HB2 GLN 558 1HB GLN 558 -7.021 13.287 1.222 268 HB3 GLN 558 2HB GLN 558 -6.007 12.875 2.598 269 HG2 GLN 558 1HG GLN 558 -8.193 14.039 3.779 270 HG3 GLN 558 2HG GLN 558 -8.895 13.163 2.420 271 HE21 GLN 558 2HE2 GLN 558 -9.181 12.633 5.244 272 HE22 GLN 558 1HE2 GLN 558 -8.587 11.033 5.510 273 H LYS 559 H LYS 559 -6.024 14.543 -0.134 274 HA LYS 559 HA LYS 559 -3.293 14.269 -0.408 275 HB2 LYS 559 1HB LYS 559 -3.678 15.048 -2.796 276 HB3 LYS 559 2HB LYS 559 -4.650 13.685 -2.255 277 HG2 LYS 559 1HG LYS 559 -6.545 15.172 -1.883 278 HG3 LYS 559 2HG LYS 559 -5.571 16.549 -2.402 279 HD2 LYS 559 1HD LYS 559 -7.014 15.765 -4.208 280 HD3 LYS 559 2HD LYS 559 -5.312 15.532 -4.613 281 HE2 LYS 559 1HE LYS 559 -5.435 13.208 -4.200 282 HE3 LYS 559 2HE LYS 559 -7.000 13.358 -3.402 283 HZ1 LYS 559 3HZ LYS 559 -6.369 13.456 -6.274 284 HZ2 LYS 559 1HZ LYS 559 -7.747 14.249 -5.694 285 HZ3 LYS 559 2HZ LYS 559 -7.575 12.581 -5.472 286 H GLN 560 H GLN 560 -5.211 17.200 -0.232 287 HA GLN 560 HA GLN 560 -3.265 19.027 -1.104 288 HB2 GLN 560 1HB GLN 560 -5.670 19.560 -0.835 289 HB3 GLN 560 2HB GLN 560 -5.471 19.487 0.911 290 HG2 GLN 560 1HG GLN 560 -4.221 21.435 0.981 291 HG3 GLN 560 2HG GLN 560 -3.800 21.343 -0.728 292 HE21 GLN 560 2HE2 GLN 560 -5.723 21.483 -2.227 293 HE22 GLN 560 1HE2 GLN 560 -6.921 22.665 -1.838 294 H MET 561 H MET 561 -4.342 18.680 2.274 295 HA MET 561 HA MET 561 -2.110 19.920 3.399 296 HB2 MET 561 1HB MET 561 -3.846 17.806 4.685 297 HB3 MET 561 2HB MET 561 -2.848 18.987 5.521 298 HG2 MET 561 1HG MET 561 -4.245 20.771 4.882 299 HG3 MET 561 2HG MET 561 -5.088 19.783 3.692 300 HE1 MET 561 3HE MET 561 -7.451 17.942 4.836 301 HE2 MET 561 1HE MET 561 -5.797 17.448 4.476 302 HE3 MET 561 2HE MET 561 -6.509 17.067 6.043 303 H LEU 562 H LEU 562 -2.827 16.428 3.227 304 HA LEU 562 HA LEU 562 -0.499 15.450 4.321 305 HB2 LEU 562 1HB LEU 562 -2.424 14.066 3.729 306 HB3 LEU 562 2HB LEU 562 -2.065 14.294 2.018 307 HG LEU 562 HG LEU 562 0.062 13.093 3.701 308 HD11 LEU 562 1HD1 LEU 562 -1.240 10.858 2.994 309 HD12 LEU 562 2HD1 LEU 562 -2.615 11.912 3.321 310 HD13 LEU 562 3HD1 LEU 562 -1.409 11.622 4.575 311 HD21 LEU 562 3HD2 LEU 562 -0.497 13.459 0.962 312 HD22 LEU 562 1HD2 LEU 562 -0.565 11.724 1.274 313 HD23 LEU 562 2HD2 LEU 562 0.884 12.639 1.692 314 H GLY 563 H GLY 563 -1.104 15.817 0.817 315 HA2 GLY 563 1HA GLY 563 1.489 15.256 -0.034 316 HA3 GLY 563 2HA GLY 563 0.332 16.233 -0.924 317 H GLU 564 H GLU 564 0.065 18.340 0.950 318 HA GLU 564 HA GLU 564 2.149 20.020 0.159 319 HB2 GLU 564 1HB GLU 564 0.006 20.188 2.237 320 HB3 GLU 564 2HB GLU 564 1.282 21.398 2.231 321 HG2 GLU 564 1HG GLU 564 0.622 22.289 0.222 322 HG3 GLU 564 2HG GLU 564 -0.165 20.801 -0.302 323 H ARG 565 H ARG 565 1.618 18.371 3.262 324 HA ARG 565 HA ARG 565 4.058 19.334 4.405 325 HB2 ARG 565 1HB ARG 565 1.838 18.426 5.530 326 HB3 ARG 565 2HB ARG 565 2.696 16.893 5.450 327 HG2 ARG 565 1HG ARG 565 3.407 17.549 7.487 328 HG3 ARG 565 2HG ARG 565 4.624 18.389 6.524 329 HD2 ARG 565 1HD ARG 565 2.116 19.866 6.942 330 HD3 ARG 565 2HD ARG 565 3.063 19.571 8.399 331 HE ARG 565 HE ARG 565 4.889 20.516 6.628 332 HH11 ARG 565 1HH1 ARG 565 1.813 21.670 7.779 333 HH12 ARG 565 2HH1 ARG 565 2.223 23.343 7.592 334 HH21 ARG 565 1HH2 ARG 565 5.441 22.714 6.378 335 HH22 ARG 565 2HH2 ARG 565 4.287 23.936 6.794 336 H LEU 566 H LEU 566 3.145 16.615 2.467 337 HA LEU 566 HA LEU 566 5.416 14.991 3.110 338 HB2 LEU 566 1HB LEU 566 3.046 14.793 1.473 339 HB3 LEU 566 2HB LEU 566 4.466 14.213 0.605 340 HG LEU 566 HG LEU 566 4.873 12.807 2.761 341 HD11 LEU 566 1HD1 LEU 566 2.000 13.628 3.020 342 HD12 LEU 566 2HD1 LEU 566 3.269 13.635 4.244 343 HD13 LEU 566 3HD1 LEU 566 2.595 12.105 3.683 344 HD21 LEU 566 3HD2 LEU 566 4.404 11.220 1.285 345 HD22 LEU 566 1HD2 LEU 566 3.476 12.367 0.318 346 HD23 LEU 566 2HD2 LEU 566 2.683 11.448 1.598 347 H PHE 567 H PHE 567 4.734 17.538 0.859 348 HA PHE 567 HA PHE 567 6.561 17.125 -1.152 349 HB2 PHE 567 1HB PHE 567 4.965 19.248 -0.298 350 HB3 PHE 567 2HB PHE 567 6.600 19.899 -0.292 351 HD1 PHE 567 HD2 PHE 567 7.981 19.030 -2.491 352 HD2 PHE 567 HD1 PHE 567 3.779 19.648 -2.206 353 HE1 PHE 567 HE2 PHE 567 7.865 19.341 -4.928 354 HE2 PHE 567 HE1 PHE 567 3.656 19.960 -4.643 355 HZ PHE 567 HZ PHE 567 5.701 19.808 -6.008 356 HA PRO 568 HA PRO 568 10.001 19.283 1.471 357 HB2 PRO 568 1HB PRO 568 9.486 19.680 4.107 358 HB3 PRO 568 2HB PRO 568 9.090 20.869 2.861 359 HG2 PRO 568 1HG PRO 568 7.314 18.866 4.199 360 HG3 PRO 568 2HG PRO 568 6.990 20.566 3.813 361 HD2 PRO 568 1HD PRO 568 6.059 18.525 2.297 362 HD3 PRO 568 2HD PRO 568 6.497 20.103 1.610 363 H LEU 569 H LEU 569 7.993 16.992 3.290 364 HA LEU 569 HA LEU 569 9.961 15.756 4.802 365 HB2 LEU 569 1HB LEU 569 7.382 15.437 4.734 366 HB3 LEU 569 2HB LEU 569 7.747 14.169 3.566 367 HG LEU 569 HG LEU 569 7.410 13.293 5.836 368 HD11 LEU 569 1HD1 LEU 569 9.108 11.743 5.722 369 HD12 LEU 569 2HD1 LEU 569 10.313 12.936 5.240 370 HD13 LEU 569 3HD1 LEU 569 9.105 12.386 4.079 371 HD21 LEU 569 3HD2 LEU 569 9.956 14.187 6.904 372 HD22 LEU 569 1HD2 LEU 569 8.359 14.167 7.653 373 HD23 LEU 569 2HD2 LEU 569 8.837 15.524 6.633 374 H ILE 570 H ILE 570 9.011 15.194 1.454 375 HA ILE 570 HA ILE 570 10.708 12.914 1.107 376 HB ILE 570 HB ILE 570 9.277 14.683 -0.871 377 HG12 ILE 570 1HG1 ILE 570 8.781 11.773 -0.271 378 HG13 ILE 570 2HG1 ILE 570 8.040 13.049 0.689 379 HG21 ILE 570 1HG2 ILE 570 9.846 12.909 -2.541 380 HG22 ILE 570 2HG2 ILE 570 11.215 13.883 -2.007 381 HG23 ILE 570 3HG2 ILE 570 10.988 12.255 -1.368 382 HD11 ILE 570 3HD1 ILE 570 6.960 11.931 -1.537 383 HD12 ILE 570 1HD1 ILE 570 6.535 13.516 -0.890 384 HD13 ILE 570 2HD1 ILE 570 7.715 13.383 -2.195 385 H GLN 571 H GLN 571 11.009 16.370 0.598 386 HA GLN 571 HA GLN 571 13.290 16.406 -1.013 387 HB2 GLN 571 1HB GLN 571 12.342 18.373 1.074 388 HB3 GLN 571 2HB GLN 571 13.667 18.689 -0.039 389 HG2 GLN 571 1HG GLN 571 12.250 18.719 -1.899 390 HG3 GLN 571 2HG GLN 571 10.936 17.941 -1.018 391 HE21 GLN 571 2HE2 GLN 571 12.990 20.690 -0.160 392 HE22 GLN 571 1HE2 GLN 571 11.699 21.824 0.022 393 H ALA 572 H ALA 572 12.911 15.538 2.276 394 HA ALA 572 HA ALA 572 15.349 16.192 3.411 395 HB1 ALA 572 3HB ALA 572 13.763 13.668 3.869 396 HB2 ALA 572 1HB ALA 572 14.981 14.346 4.950 397 HB3 ALA 572 2HB ALA 572 13.476 15.219 4.657 398 H MET 573 H MET 573 14.592 13.755 1.047 399 HA MET 573 HA MET 573 17.422 12.938 1.047 400 HB2 MET 573 1HB MET 573 16.647 10.710 0.225 401 HB3 MET 573 2HB MET 573 16.150 11.076 1.871 402 HG2 MET 573 1HG MET 573 14.061 12.011 0.321 403 HG3 MET 573 2HG MET 573 14.549 10.514 -0.470 404 HE1 MET 573 3HE MET 573 12.484 11.453 3.272 405 HE2 MET 573 1HE MET 573 12.587 12.226 1.690 406 HE3 MET 573 2HE MET 573 11.455 10.899 1.950 407 H HIS 574 H HIS 574 14.505 13.499 -0.850 408 HA HIS 574 HA HIS 574 16.210 13.840 -3.228 409 HB2 HIS 574 1HB HIS 574 13.637 12.368 -2.902 410 HB3 HIS 574 2HB HIS 574 13.913 13.223 -4.417 411 HD1 HIS 574 HD1 HIS 574 15.165 10.334 -2.390 412 HD2 HIS 574 HD2 HIS 574 15.830 12.091 -6.096 413 HE1 HIS 574 HE1 HIS 574 16.577 8.692 -3.669 414 HA PRO 575 HA PRO 575 13.944 17.782 -2.279 415 HB2 PRO 575 1HB PRO 575 16.106 19.385 -2.637 416 HB3 PRO 575 2HB PRO 575 15.730 18.611 -1.093 417 HG2 PRO 575 1HG PRO 575 17.684 17.779 -3.202 418 HG3 PRO 575 2HG PRO 575 17.881 17.799 -1.440 419 HD2 PRO 575 1HD PRO 575 17.329 15.535 -2.819 420 HD3 PRO 575 2HD PRO 575 16.746 15.812 -1.165 421 H THR 576 H THR 576 15.553 16.363 -4.890 422 HA THR 576 HA THR 576 15.055 18.578 -6.722 423 HB THR 576 HB THR 576 15.991 16.860 -8.422 424 HG1 THR 576 HG1 THR 576 17.475 15.398 -7.149 425 HG21 THR 576 3HG2 THR 576 17.396 18.408 -6.329 426 HG22 THR 576 1HG2 THR 576 17.503 18.521 -8.085 427 HG23 THR 576 2HG2 THR 576 18.368 17.244 -7.229 428 H LEU 577 H LEU 577 14.272 15.096 -6.611 429 HA LEU 577 HA LEU 577 12.031 15.553 -8.417 430 HB2 LEU 577 1HB LEU 577 13.206 13.027 -7.268 431 HB3 LEU 577 2HB LEU 577 11.830 13.074 -8.368 432 HG LEU 577 HG LEU 577 13.671 12.499 -9.701 433 HD11 LEU 577 1HD1 LEU 577 13.569 14.093 -11.328 434 HD12 LEU 577 2HD1 LEU 577 13.754 15.428 -10.192 435 HD13 LEU 577 3HD1 LEU 577 12.204 14.598 -10.332 436 HD21 LEU 577 3HD2 LEU 577 15.427 14.758 -9.171 437 HD22 LEU 577 1HD2 LEU 577 15.793 13.036 -9.270 438 HD23 LEU 577 2HD2 LEU 577 15.193 13.724 -7.761 439 H ALA 578 H ALA 578 12.260 16.241 -5.404 440 HA ALA 578 HA ALA 578 10.563 14.734 -3.853 441 HB1 ALA 578 3HB ALA 578 11.886 17.030 -3.458 442 HB2 ALA 578 1HB ALA 578 10.245 17.660 -3.604 443 HB3 ALA 578 2HB ALA 578 10.619 16.448 -2.378 444 H GLY 579 H GLY 579 9.750 17.028 -6.385 445 HA2 GLY 579 1HA GLY 579 7.003 17.299 -5.828 446 HA3 GLY 579 2HA GLY 579 7.757 17.552 -7.395 447 H LYS 580 H LYS 580 8.298 15.510 -8.613 448 HA LYS 580 HA LYS 580 6.042 14.072 -9.216 449 HB2 LYS 580 1HB LYS 580 8.652 14.126 -10.123 450 HB3 LYS 580 2HB LYS 580 8.470 12.477 -9.540 451 HG2 LYS 580 1HG LYS 580 6.914 11.938 -11.121 452 HG3 LYS 580 2HG LYS 580 6.340 13.600 -11.282 453 HD2 LYS 580 1HD LYS 580 8.729 14.029 -12.244 454 HD3 LYS 580 2HD LYS 580 8.726 12.285 -12.514 455 HE2 LYS 580 1HE LYS 580 7.859 13.016 -14.505 456 HE3 LYS 580 2HE LYS 580 6.377 12.780 -13.580 457 HZ1 LYS 580 3HZ LYS 580 7.397 15.158 -14.720 458 HZ2 LYS 580 1HZ LYS 580 7.225 15.358 -13.049 459 HZ3 LYS 580 2HZ LYS 580 5.897 14.889 -13.985 460 H ILE 581 H ILE 581 8.577 13.241 -6.893 461 HA ILE 581 HA ILE 581 7.776 10.664 -6.240 462 HB ILE 581 HB ILE 581 9.009 12.768 -4.461 463 HG12 ILE 581 1HG1 ILE 581 10.405 10.388 -5.643 464 HG13 ILE 581 2HG1 ILE 581 10.181 11.847 -6.601 465 HG21 ILE 581 1HG2 ILE 581 7.961 11.120 -3.062 466 HG22 ILE 581 2HG2 ILE 581 8.661 9.809 -4.011 467 HG23 ILE 581 3HG2 ILE 581 9.704 10.852 -3.044 468 HD11 ILE 581 3HD1 ILE 581 12.326 11.988 -5.645 469 HD12 ILE 581 1HD1 ILE 581 11.307 13.102 -4.734 470 HD13 ILE 581 2HD1 ILE 581 11.727 11.531 -4.050 471 H THR 582 H THR 582 6.956 13.647 -4.458 472 HA THR 582 HA THR 582 5.110 12.502 -2.714 473 HB THR 582 HB THR 582 6.128 14.990 -2.966 474 HG1 THR 582 HG1 THR 582 3.646 14.656 -1.652 475 HG21 THR 582 3HG2 THR 582 4.554 15.443 -4.870 476 HG22 THR 582 1HG2 THR 582 4.433 16.579 -3.528 477 HG23 THR 582 2HG2 THR 582 3.225 15.309 -3.719 478 H GLY 583 H GLY 583 4.751 13.571 -6.026 479 HA2 GLY 583 1HA GLY 583 1.938 13.704 -6.129 480 HA3 GLY 583 2HA GLY 583 3.000 13.432 -7.504 481 H MET 584 H MET 584 4.071 11.072 -7.256 482 HA MET 584 HA MET 584 1.949 9.268 -7.732 483 HB2 MET 584 1HB MET 584 4.862 8.652 -7.210 484 HB3 MET 584 2HB MET 584 3.693 7.566 -7.948 485 HG2 MET 584 1HG MET 584 3.582 8.825 -9.909 486 HG3 MET 584 2HG MET 584 4.314 10.236 -9.148 487 HE1 MET 584 3HE MET 584 6.622 9.495 -7.667 488 HE2 MET 584 1HE MET 584 8.009 9.107 -8.685 489 HE3 MET 584 2HE MET 584 7.072 10.570 -8.991 490 H LEU 585 H LEU 585 4.137 9.719 -4.986 491 HA LEU 585 HA LEU 585 3.308 7.501 -3.481 492 HB2 LEU 585 1HB LEU 585 4.727 10.038 -2.938 493 HB3 LEU 585 2HB LEU 585 4.012 9.222 -1.550 494 HG LEU 585 HG LEU 585 5.347 7.249 -1.979 495 HD11 LEU 585 1HD1 LEU 585 5.778 8.569 -4.547 496 HD12 LEU 585 2HD1 LEU 585 5.865 6.861 -4.118 497 HD13 LEU 585 3HD1 LEU 585 7.248 7.915 -3.825 498 HD21 LEU 585 3HD2 LEU 585 6.379 8.868 -0.568 499 HD22 LEU 585 1HD2 LEU 585 6.892 9.834 -1.951 500 HD23 LEU 585 2HD2 LEU 585 7.619 8.253 -1.662 501 H LEU 586 H LEU 586 1.918 10.669 -3.916 502 HA LEU 586 HA LEU 586 0.050 10.364 -1.728 503 HB2 LEU 586 1HB LEU 586 0.861 12.571 -2.225 504 HB3 LEU 586 2HB LEU 586 0.321 12.437 -3.897 505 HG LEU 586 HG LEU 586 -1.719 12.239 -1.739 506 HD11 LEU 586 1HD1 LEU 586 -0.027 14.584 -2.248 507 HD12 LEU 586 2HD1 LEU 586 -1.012 14.173 -0.844 508 HD13 LEU 586 3HD1 LEU 586 -1.763 14.892 -2.268 509 HD21 LEU 586 3HD2 LEU 586 -3.036 12.316 -3.521 510 HD22 LEU 586 1HD2 LEU 586 -1.636 12.521 -4.574 511 HD23 LEU 586 2HD2 LEU 586 -2.433 13.935 -3.882 512 H GLU 587 H GLU 587 0.206 9.534 -5.041 513 HA GLU 587 HA GLU 587 -2.621 9.519 -5.535 514 HB2 GLU 587 1HB GLU 587 -0.908 9.775 -7.330 515 HB3 GLU 587 2HB GLU 587 -0.427 8.106 -7.059 516 HG2 GLU 587 1HG GLU 587 -1.934 7.499 -8.555 517 HG3 GLU 587 2HG GLU 587 -3.188 8.016 -7.429 518 H ILE 588 H ILE 588 -0.191 6.940 -5.133 519 HA ILE 588 HA ILE 588 -1.564 4.672 -5.273 520 HB ILE 588 HB ILE 588 -0.344 4.099 -2.937 521 HG12 ILE 588 1HG1 ILE 588 1.414 6.263 -4.060 522 HG13 ILE 588 2HG1 ILE 588 0.208 6.633 -2.832 523 HG21 ILE 588 1HG2 ILE 588 0.161 2.961 -4.962 524 HG22 ILE 588 2HG2 ILE 588 0.874 4.409 -5.671 525 HG23 ILE 588 3HG2 ILE 588 1.682 3.593 -4.332 526 HD11 ILE 588 3HD1 ILE 588 1.257 5.179 -1.266 527 HD12 ILE 588 1HD1 ILE 588 2.352 4.554 -2.498 528 HD13 ILE 588 2HD1 ILE 588 2.497 6.226 -1.955 529 H ASP 589 H ASP 589 -1.475 6.467 -2.188 530 HA ASP 589 HA ASP 589 -4.197 6.478 -1.686 531 HB2 ASP 589 1HB ASP 589 -3.151 3.865 -1.447 532 HB3 ASP 589 2HB ASP 589 -3.441 4.437 0.193 533 H ASN 590 H ASN 590 -4.129 8.263 -0.488 534 HA ASN 590 HA ASN 590 -2.050 9.167 1.086 535 HB2 ASN 590 1HB ASN 590 -4.944 9.734 1.720 536 HB3 ASN 590 2HB ASN 590 -3.553 10.787 1.961 537 HD21 ASN 590 2HD2 ASN 590 -3.274 12.315 0.515 538 HD22 ASN 590 1HD2 ASN 590 -3.886 12.313 -1.101 539 H SER 591 H SER 591 -4.881 7.268 2.069 540 HA SER 591 HA SER 591 -4.456 7.210 4.806 541 HB2 SER 591 1HB SER 591 -6.337 6.154 3.230 542 HB3 SER 591 2HB SER 591 -5.386 4.696 3.506 543 HG SER 591 HG SER 591 -6.790 6.285 5.351 544 H GLU 592 H GLU 592 -2.968 5.287 2.263 545 HA GLU 592 HA GLU 592 -1.662 3.436 3.964 546 HB2 GLU 592 1HB GLU 592 -2.079 3.219 1.460 547 HB3 GLU 592 2HB GLU 592 -0.701 4.288 1.237 548 HG2 GLU 592 1HG GLU 592 -0.396 1.838 2.904 549 HG3 GLU 592 2HG GLU 592 -0.406 1.701 1.146 550 H LEU 593 H LEU 593 -0.820 6.613 2.749 551 HA LEU 593 HA LEU 593 1.916 6.517 3.559 552 HB2 LEU 593 1HB LEU 593 0.482 9.105 3.303 553 HB3 LEU 593 2HB LEU 593 2.092 8.648 2.751 554 HG LEU 593 HG LEU 593 -0.525 7.915 1.440 555 HD11 LEU 593 1HD1 LEU 593 -0.249 9.654 0.064 556 HD12 LEU 593 2HD1 LEU 593 1.493 9.406 -0.056 557 HD13 LEU 593 3HD1 LEU 593 0.820 10.287 1.315 558 HD21 LEU 593 3HD2 LEU 593 0.745 6.820 -0.249 559 HD22 LEU 593 1HD2 LEU 593 1.268 6.167 1.304 560 HD23 LEU 593 2HD2 LEU 593 2.269 7.353 0.465 561 H LEU 594 H LEU 594 -1.083 7.576 5.042 562 HA LEU 594 HA LEU 594 0.031 8.969 7.223 563 HB2 LEU 594 1HB LEU 594 -2.606 7.618 6.766 564 HB3 LEU 594 2HB LEU 594 -2.217 8.369 8.312 565 HG LEU 594 HG LEU 594 -2.330 9.789 5.651 566 HD11 LEU 594 1HD1 LEU 594 -4.546 9.440 6.106 567 HD12 LEU 594 2HD1 LEU 594 -4.269 10.936 6.996 568 HD13 LEU 594 3HD1 LEU 594 -4.297 9.395 7.851 569 HD21 LEU 594 3HD2 LEU 594 -2.455 11.480 7.957 570 HD22 LEU 594 1HD2 LEU 594 -1.300 11.496 6.624 571 HD23 LEU 594 2HD2 LEU 594 -1.005 10.478 8.034 572 H HIS 595 H HIS 595 -0.041 5.659 6.483 573 HA HIS 595 HA HIS 595 0.625 4.978 9.273 574 HB2 HIS 595 1HB HIS 595 -1.467 3.945 7.956 575 HB3 HIS 595 2HB HIS 595 -0.222 2.831 7.398 576 HD1 HIS 595 HD1 HIS 595 1.303 1.909 9.606 577 HD2 HIS 595 HD2 HIS 595 -2.650 3.042 10.199 578 HE1 HIS 595 HE1 HIS 595 0.598 0.794 11.747 579 H MET 596 H MET 596 1.721 5.152 6.069 580 HA MET 596 HA MET 596 3.802 3.148 6.409 581 HB2 MET 596 1HB MET 596 2.917 3.175 4.225 582 HB3 MET 596 2HB MET 596 2.968 4.931 4.133 583 HG2 MET 596 1HG MET 596 5.563 3.599 4.513 584 HG3 MET 596 2HG MET 596 4.764 3.302 2.971 585 HE1 MET 596 3HE MET 596 4.441 5.986 1.071 586 HE2 MET 596 1HE MET 596 3.267 5.302 2.196 587 HE3 MET 596 2HE MET 596 3.715 7.004 2.316 588 H LEU 597 H LEU 597 3.352 6.523 6.823 589 HA LEU 597 HA LEU 597 6.030 7.381 6.463 590 HB2 LEU 597 1HB LEU 597 5.349 9.435 7.317 591 HB3 LEU 597 2HB LEU 597 3.903 8.788 6.545 592 HG LEU 597 HG LEU 597 3.179 9.773 8.556 593 HD11 LEU 597 1HD1 LEU 597 2.223 7.950 9.760 594 HD12 LEU 597 2HD1 LEU 597 3.487 6.850 9.211 595 HD13 LEU 597 3HD1 LEU 597 2.310 7.484 8.061 596 HD21 LEU 597 3HD2 LEU 597 4.878 8.206 10.381 597 HD22 LEU 597 1HD2 LEU 597 4.331 9.879 10.489 598 HD23 LEU 597 2HD2 LEU 597 5.703 9.465 9.461 599 H GLU 598 H GLU 598 4.677 5.387 8.764 600 HA GLU 598 HA GLU 598 6.428 6.228 10.937 601 HB2 GLU 598 1HB GLU 598 4.464 3.933 10.828 602 HB3 GLU 598 2HB GLU 598 5.290 4.525 12.262 603 HG2 GLU 598 1HG GLU 598 4.127 6.788 11.571 604 HG3 GLU 598 2HG GLU 598 3.008 5.690 10.767 605 H SER 599 H SER 599 6.473 4.118 8.294 606 HA SER 599 HA SER 599 8.445 2.339 9.533 607 HB2 SER 599 1HB SER 599 6.511 2.082 7.343 608 HB3 SER 599 2HB SER 599 8.103 1.429 6.956 609 HG SER 599 HG SER 599 7.576 -0.216 8.132 610 HA PRO 600 HA PRO 600 11.627 4.814 7.641 611 HB2 PRO 600 1HB PRO 600 13.703 3.275 8.471 612 HB3 PRO 600 2HB PRO 600 12.857 4.402 9.537 613 HG2 PRO 600 1HG PRO 600 12.526 1.439 9.266 614 HG3 PRO 600 2HG PRO 600 12.586 2.428 10.737 615 HD2 PRO 600 1HD PRO 600 10.261 1.531 9.679 616 HD3 PRO 600 2HD PRO 600 10.384 3.078 10.541 617 H GLU 601 H GLU 601 11.833 1.255 7.453 618 HA GLU 601 HA GLU 601 13.401 1.199 5.109 619 HB2 GLU 601 1HB GLU 601 11.618 -0.847 6.418 620 HB3 GLU 601 2HB GLU 601 12.518 -1.192 4.948 621 HG2 GLU 601 1HG GLU 601 13.863 -0.186 7.430 622 HG3 GLU 601 2HG GLU 601 13.553 -1.900 7.159 623 H SER 602 H SER 602 10.039 1.697 5.639 624 HA SER 602 HA SER 602 9.237 0.969 2.961 625 HB2 SER 602 1HB SER 602 7.743 2.339 5.208 626 HB3 SER 602 2HB SER 602 7.020 1.887 3.665 627 HG SER 602 HG SER 602 7.267 -0.232 4.158 628 H LEU 603 H LEU 603 9.518 3.987 4.823 629 HA LEU 603 HA LEU 603 8.715 5.799 2.914 630 HB2 LEU 603 1HB LEU 603 9.244 6.392 5.222 631 HB3 LEU 603 2HB LEU 603 10.955 6.107 4.909 632 HG LEU 603 HG LEU 603 10.068 8.532 4.970 633 HD11 LEU 603 1HD1 LEU 603 11.629 7.886 2.503 634 HD12 LEU 603 2HD1 LEU 603 12.307 7.572 4.100 635 HD13 LEU 603 3HD1 LEU 603 11.840 9.211 3.647 636 HD21 LEU 603 3HD2 LEU 603 8.911 9.373 3.195 637 HD22 LEU 603 1HD2 LEU 603 8.251 7.737 3.219 638 HD23 LEU 603 2HD2 LEU 603 9.525 8.157 2.074 639 H ARG 604 H ARG 604 12.075 4.755 3.511 640 HA ARG 604 HA ARG 604 13.261 6.101 1.390 641 HB2 ARG 604 1HB ARG 604 14.293 4.708 3.350 642 HB3 ARG 604 2HB ARG 604 14.223 3.381 2.198 643 HG2 ARG 604 1HG ARG 604 15.483 4.937 0.608 644 HG3 ARG 604 2HG ARG 604 15.808 5.917 2.039 645 HD2 ARG 604 1HD ARG 604 16.724 3.832 3.117 646 HD3 ARG 604 2HD ARG 604 16.607 3.058 1.537 647 HE ARG 604 HE ARG 604 18.510 4.151 0.927 648 HH11 ARG 604 1HH1 ARG 604 17.082 5.832 3.621 649 HH12 ARG 604 2HH1 ARG 604 18.394 6.951 3.785 650 HH21 ARG 604 1HH2 ARG 604 20.243 5.619 1.134 651 HH22 ARG 604 2HH2 ARG 604 20.191 6.830 2.370 652 H SER 605 H SER 605 11.652 2.968 1.468 653 HA SER 605 HA SER 605 12.392 2.115 -1.116 654 HB2 SER 605 1HB SER 605 11.455 0.610 0.618 655 HB3 SER 605 2HB SER 605 9.892 1.408 0.440 656 HG SER 605 HG SER 605 9.573 0.405 -1.406 657 H LYS 606 H LYS 606 9.545 3.863 0.073 658 HA LYS 606 HA LYS 606 8.142 3.996 -2.345 659 HB2 LYS 606 1HB LYS 606 8.178 5.918 -0.013 660 HB3 LYS 606 2HB LYS 606 7.012 5.980 -1.328 661 HG2 LYS 606 1HG LYS 606 7.374 3.741 0.651 662 HG3 LYS 606 2HG LYS 606 6.033 4.885 0.576 663 HD2 LYS 606 1HD LYS 606 6.757 2.844 -1.526 664 HD3 LYS 606 2HD LYS 606 5.398 2.748 -0.404 665 HE2 LYS 606 1HE LYS 606 4.436 4.763 -1.392 666 HE3 LYS 606 2HE LYS 606 5.805 4.884 -2.497 667 HZ1 LYS 606 3HZ LYS 606 4.163 3.852 -3.744 668 HZ2 LYS 606 1HZ LYS 606 3.638 2.880 -2.462 669 HZ3 LYS 606 2HZ LYS 606 5.111 2.550 -3.225 670 H VAL 607 H VAL 607 10.199 6.504 -0.854 671 HA VAL 607 HA VAL 607 10.157 8.328 -2.939 672 HB VAL 607 HB VAL 607 12.465 7.760 -1.073 673 HG11 VAL 607 1HG1 VAL 607 12.527 10.428 -1.620 674 HG12 VAL 607 2HG1 VAL 607 13.525 9.211 -2.418 675 HG13 VAL 607 3HG1 VAL 607 12.027 9.757 -3.172 676 HG21 VAL 607 3HG2 VAL 607 10.676 8.246 0.331 677 HG22 VAL 607 1HG2 VAL 607 11.430 9.822 0.089 678 HG23 VAL 607 2HG2 VAL 607 9.970 9.397 -0.804 679 H ASP 608 H ASP 608 12.531 5.741 -2.343 680 HA ASP 608 HA ASP 608 14.163 6.184 -4.548 681 HB2 ASP 608 1HB ASP 608 14.797 4.652 -2.767 682 HB3 ASP 608 2HB ASP 608 13.472 3.571 -3.189 683 H GLU 609 H GLU 609 11.425 3.914 -4.279 684 HA GLU 609 HA GLU 609 11.432 2.927 -6.855 685 HB2 GLU 609 1HB GLU 609 9.257 3.376 -4.846 686 HB3 GLU 609 2HB GLU 609 8.844 2.818 -6.461 687 HG2 GLU 609 1HG GLU 609 10.255 0.871 -6.183 688 HG3 GLU 609 2HG GLU 609 10.759 1.440 -4.593 689 H ALA 610 H ALA 610 9.601 5.736 -5.650 690 HA ALA 610 HA ALA 610 8.387 6.517 -8.000 691 HB1 ALA 610 3HB ALA 610 9.171 8.882 -6.663 692 HB2 ALA 610 1HB ALA 610 7.609 8.064 -6.617 693 HB3 ALA 610 2HB ALA 610 8.853 7.658 -5.434 694 H VAL 611 H VAL 611 11.437 7.870 -6.722 695 HA VAL 611 HA VAL 611 12.142 9.426 -8.880 696 HB VAL 611 HB VAL 611 14.036 7.846 -7.134 697 HG11 VAL 611 1HG1 VAL 611 14.453 9.714 -9.316 698 HG12 VAL 611 2HG1 VAL 611 15.230 10.242 -7.822 699 HG13 VAL 611 3HG1 VAL 611 15.603 8.656 -8.499 700 HG21 VAL 611 3HG2 VAL 611 12.212 9.764 -6.355 701 HG22 VAL 611 1HG2 VAL 611 13.663 9.289 -5.472 702 HG23 VAL 611 2HG2 VAL 611 13.707 10.678 -6.558 703 H ALA 612 H ALA 612 12.586 5.962 -8.437 704 HA ALA 612 HA ALA 612 14.261 5.520 -10.666 705 HB1 ALA 612 3HB ALA 612 13.785 3.951 -8.715 706 HB2 ALA 612 1HB ALA 612 12.319 3.499 -9.586 707 HB3 ALA 612 2HB ALA 612 13.901 3.227 -10.319 708 H VAL 613 H VAL 613 10.744 5.474 -10.275 709 HA VAL 613 HA VAL 613 10.117 4.527 -12.855 710 HB VAL 613 HB VAL 613 8.478 6.286 -11.025 711 HG11 VAL 613 1HG1 VAL 613 6.550 5.532 -12.315 712 HG12 VAL 613 2HG1 VAL 613 7.699 6.391 -13.343 713 HG13 VAL 613 3HG1 VAL 613 7.614 4.630 -13.394 714 HG21 VAL 613 3HG2 VAL 613 7.358 3.820 -10.925 715 HG22 VAL 613 1HG2 VAL 613 9.063 3.407 -11.103 716 HG23 VAL 613 2HG2 VAL 613 8.537 4.423 -9.761 717 H LEU 614 H LEU 614 10.568 7.789 -11.568 718 HA LEU 614 HA LEU 614 9.680 9.310 -13.688 719 HB2 LEU 614 1HB LEU 614 12.189 9.957 -12.168 720 HB3 LEU 614 2HB LEU 614 11.019 11.073 -12.869 721 HG LEU 614 HG LEU 614 10.795 9.452 -10.352 722 HD11 LEU 614 1HD1 LEU 614 10.246 12.365 -10.873 723 HD12 LEU 614 2HD1 LEU 614 11.817 11.743 -10.367 724 HD13 LEU 614 3HD1 LEU 614 10.414 11.554 -9.316 725 HD21 LEU 614 3HD2 LEU 614 8.417 10.739 -10.500 726 HD22 LEU 614 1HD2 LEU 614 8.661 9.047 -10.933 727 HD23 LEU 614 2HD2 LEU 614 8.656 10.286 -12.189 728 H GLN 615 H GLN 615 12.605 7.429 -13.410 729 HA GLN 615 HA GLN 615 14.193 8.519 -15.383 730 HB2 GLN 615 1HB GLN 615 14.890 6.674 -13.908 731 HB3 GLN 615 2HB GLN 615 13.816 5.582 -14.771 732 HG2 GLN 615 1HG GLN 615 15.144 5.553 -16.660 733 HG3 GLN 615 2HG GLN 615 15.938 7.072 -16.249 734 HE21 GLN 615 2HE2 GLN 615 17.694 7.066 -14.910 735 HE22 GLN 615 1HE2 GLN 615 18.481 5.621 -14.382 736 H ALA 616 H ALA 616 11.300 6.601 -15.700 737 HA ALA 616 HA ALA 616 11.595 5.876 -18.418 738 HB1 ALA 616 3HB ALA 616 9.883 5.136 -16.506 739 HB2 ALA 616 1HB ALA 616 8.867 6.302 -17.356 740 HB3 ALA 616 2HB ALA 616 9.548 4.925 -18.224 741 H HIS 617 H HIS 617 10.238 8.701 -16.814 742 HA HIS 617 HA HIS 617 9.523 9.860 -19.410 743 HB2 HIS 617 1HB HIS 617 7.793 9.951 -17.691 744 HB3 HIS 617 2HB HIS 617 8.894 10.784 -16.598 745 HD1 HIS 617 HD1 HIS 617 8.932 11.875 -20.135 746 HD2 HIS 617 HD2 HIS 617 7.063 12.964 -16.589 747 HE1 HIS 617 HE1 HIS 617 7.948 14.149 -20.565 748 H GLN 618 H GLN 618 10.750 11.350 -16.424 749 HA GLN 618 HA GLN 618 13.182 12.219 -17.684 750 HB2 GLN 618 1HB GLN 618 12.773 14.581 -17.648 751 HB3 GLN 618 2HB GLN 618 11.480 13.824 -18.569 752 HG2 GLN 618 1HG GLN 618 10.223 13.849 -16.287 753 HG3 GLN 618 2HG GLN 618 11.392 15.104 -15.881 754 HE21 GLN 618 2HE2 GLN 618 9.199 16.212 -15.727 755 HE22 GLN 618 1HE2 GLN 618 8.661 17.033 -17.149 756 H ALA 619 H ALA 619 14.709 12.923 -16.217 757 HA ALA 619 HA ALA 619 13.892 13.262 -13.427 758 HB1 ALA 619 3HB ALA 619 16.170 11.435 -14.136 759 HB2 ALA 619 1HB ALA 619 15.384 11.652 -12.572 760 HB3 ALA 619 2HB ALA 619 14.525 10.851 -13.888 761 H LYS 620 H LYS 620 14.416 15.490 -14.190 762 HA LYS 620 HA LYS 620 15.775 17.315 -14.299 763 HB2 LYS 620 1HB LYS 620 17.542 15.624 -12.520 764 HB3 LYS 620 2HB LYS 620 17.625 17.372 -12.698 765 HG2 LYS 620 1HG LYS 620 15.346 15.792 -11.526 766 HG3 LYS 620 2HG LYS 620 16.493 16.808 -10.650 767 HD2 LYS 620 1HD LYS 620 14.536 17.762 -12.741 768 HD3 LYS 620 2HD LYS 620 14.347 17.946 -10.995 769 HE2 LYS 620 1HE LYS 620 16.605 19.092 -12.635 770 HE3 LYS 620 2HE LYS 620 15.192 19.991 -12.084 771 HZ1 LYS 620 3HZ LYS 620 15.965 19.116 -9.771 772 HZ2 LYS 620 1HZ LYS 620 16.698 20.480 -10.454 773 HZ3 LYS 620 2HZ LYS 620 17.468 18.976 -10.535 774 H GLU 621 H GLU 621 16.133 15.218 -16.322 775 HA GLU 621 HA GLU 621 18.971 15.615 -16.993 776 HB2 GLU 621 1HB GLU 621 16.994 13.484 -17.777 777 HB3 GLU 621 2HB GLU 621 18.489 13.730 -18.668 778 HG2 GLU 621 1HG GLU 621 19.727 13.404 -16.524 779 HG3 GLU 621 2HG GLU 621 18.194 12.955 -15.779 780 H ALA 622 H ALA 622 17.766 17.843 -17.487 781 HA ALA 622 HA ALA 622 17.071 17.796 -20.352 782 HB1 ALA 622 3HB ALA 622 16.042 19.598 -18.171 783 HB2 ALA 622 1HB ALA 622 15.799 19.908 -19.890 784 HB3 ALA 622 2HB ALA 622 15.125 18.454 -19.152 785 H ALA 623 H ALA 623 18.735 18.516 -21.504 786 HA ALA 623 HA ALA 623 20.627 20.403 -20.357 787 HB1 ALA 623 3HB ALA 623 21.900 18.928 -21.498 788 HB2 ALA 623 1HB ALA 623 20.615 18.536 -22.642 789 HB3 ALA 623 2HB ALA 623 21.558 20.013 -22.846 Start of MODEL 18 1 H1 ALA 64 1H ALA 64 -1.884 -1.363 -1.167 2 HA ALA 64 HA ALA 64 -0.318 0.657 -2.595 3 HB1 ALA 64 3HB ALA 64 0.362 1.497 -0.630 4 HB2 ALA 64 1HB ALA 64 -0.176 0.081 0.274 5 HB3 ALA 64 2HB ALA 64 1.382 0.060 -0.554 6 H PHE 65 H PHE 65 1.666 -0.100 -3.435 7 HA PHE 65 HA PHE 65 2.151 -2.985 -3.231 8 HB2 PHE 65 1HB PHE 65 2.609 -2.951 -5.746 9 HB3 PHE 65 2HB PHE 65 0.922 -2.891 -5.247 10 HD1 PHE 65 HD1 PHE 65 -0.378 -0.850 -5.494 11 HD2 PHE 65 HD2 PHE 65 3.664 -1.075 -6.809 12 HE1 PHE 65 HE1 PHE 65 -0.697 1.200 -6.816 13 HE2 PHE 65 HE2 PHE 65 3.351 0.975 -8.132 14 HZ PHE 65 HZ PHE 65 1.169 2.116 -8.137 15 H SER 66 H SER 66 4.253 -3.531 -3.114 16 HA SER 66 HA SER 66 6.197 -1.442 -2.848 17 HB2 SER 66 1HB SER 66 6.013 -3.768 -1.617 18 HB3 SER 66 2HB SER 66 6.969 -4.332 -2.988 19 HG SER 66 HG SER 66 7.639 -2.304 -1.124 20 H ARG 67 H ARG 67 5.323 -3.764 -5.304 21 HA ARG 67 HA ARG 67 7.613 -3.770 -6.873 22 HB2 ARG 67 1HB ARG 67 4.696 -4.077 -7.521 23 HB3 ARG 67 2HB ARG 67 5.905 -4.099 -8.798 24 HG2 ARG 67 1HG ARG 67 5.629 -6.338 -8.324 25 HG3 ARG 67 2HG ARG 67 7.046 -5.918 -7.359 26 HD2 ARG 67 1HD ARG 67 5.671 -5.705 -5.377 27 HD3 ARG 67 2HD ARG 67 4.215 -6.005 -6.324 28 HE ARG 67 HE ARG 67 6.075 -8.142 -6.570 29 HH11 ARG 67 1HH1 ARG 67 3.690 -6.760 -4.443 30 HH12 ARG 67 2HH1 ARG 67 3.324 -8.263 -3.663 31 HH21 ARG 67 1HH2 ARG 67 5.601 -10.128 -5.551 32 HH22 ARG 67 2HH2 ARG 67 4.412 -10.178 -4.294 33 H GLN 68 H GLN 68 7.544 -2.789 -9.215 34 HA GLN 68 HA GLN 68 8.075 -0.087 -9.042 35 HB2 GLN 68 1HB GLN 68 8.632 -1.753 -10.922 36 HB3 GLN 68 2HB GLN 68 7.051 -1.346 -11.575 37 HG2 GLN 68 1HG GLN 68 7.664 0.852 -12.022 38 HG3 GLN 68 2HG GLN 68 9.047 0.787 -10.931 39 HE21 GLN 68 2HE2 GLN 68 8.467 1.216 -13.969 40 HE22 GLN 68 1HE2 GLN 68 9.740 0.320 -14.718 41 H LEU 69 H LEU 69 6.946 1.702 -10.215 42 HA LEU 69 HA LEU 69 4.020 1.460 -10.041 43 HB2 LEU 69 1HB LEU 69 3.995 3.798 -9.144 44 HB3 LEU 69 2HB LEU 69 4.619 2.571 -8.043 45 HG LEU 69 HG LEU 69 6.943 3.366 -8.959 46 HD11 LEU 69 1HD1 LEU 69 6.932 5.791 -9.433 47 HD12 LEU 69 2HD1 LEU 69 5.171 5.741 -9.507 48 HD13 LEU 69 3HD1 LEU 69 6.128 4.839 -10.681 49 HD21 LEU 69 3HD2 LEU 69 5.189 4.374 -6.824 50 HD22 LEU 69 1HD2 LEU 69 6.559 5.409 -7.230 51 HD23 LEU 69 2HD2 LEU 69 6.832 3.736 -6.743 52 H ASN 70 H ASN 70 3.166 3.819 -10.885 53 HA ASN 70 HA ASN 70 4.357 4.078 -13.564 54 HB2 ASN 70 1HB ASN 70 2.209 4.682 -14.395 55 HB3 ASN 70 2HB ASN 70 1.956 3.286 -13.352 56 HD21 ASN 70 2HD2 ASN 70 0.371 5.777 -14.231 57 HD22 ASN 70 1HD2 ASN 70 -0.331 6.333 -12.753 58 H VAL 71 H VAL 71 5.002 6.029 -14.319 59 HA VAL 71 HA VAL 71 5.206 8.188 -12.390 60 HB VAL 71 HB VAL 71 7.145 7.519 -13.813 61 HG11 VAL 71 1HG1 VAL 71 5.622 8.850 -16.047 62 HG12 VAL 71 2HG1 VAL 71 7.223 8.111 -16.134 63 HG13 VAL 71 3HG1 VAL 71 5.798 7.105 -15.867 64 HG21 VAL 71 3HG2 VAL 71 6.277 10.365 -14.293 65 HG22 VAL 71 1HG2 VAL 71 6.897 9.771 -12.752 66 HG23 VAL 71 2HG2 VAL 71 7.926 9.747 -14.184 67 H ASN 72 H ASN 72 3.171 7.292 -14.962 68 HA ASN 72 HA ASN 72 2.439 9.874 -15.898 69 HB2 ASN 72 1HB ASN 72 1.420 7.105 -16.218 70 HB3 ASN 72 2HB ASN 72 0.271 8.406 -16.517 71 HD21 ASN 72 2HD2 ASN 72 3.699 7.780 -17.211 72 HD22 ASN 72 1HD2 ASN 72 3.611 8.207 -18.883 73 H ALA 73 H ALA 73 1.718 8.137 -13.061 74 HA ALA 73 HA ALA 73 -0.866 8.957 -12.442 75 HB1 ALA 73 3HB ALA 73 1.121 7.545 -11.155 76 HB2 ALA 73 1HB ALA 73 0.892 8.961 -10.128 77 HB3 ALA 73 2HB ALA 73 -0.478 7.916 -10.509 78 H LYS 74 H LYS 74 -1.734 10.887 -12.104 79 HA LYS 74 HA LYS 74 -0.420 13.301 -12.315 80 HB2 LYS 74 1HB LYS 74 -3.038 12.503 -11.095 81 HB3 LYS 74 2HB LYS 74 -2.480 14.164 -10.943 82 HG2 LYS 74 1HG LYS 74 -2.743 12.742 -13.579 83 HG3 LYS 74 2HG LYS 74 -4.026 13.718 -12.860 84 HD2 LYS 74 1HD LYS 74 -1.280 14.856 -13.228 85 HD3 LYS 74 2HD LYS 74 -2.412 14.801 -14.581 86 HE2 LYS 74 1HE LYS 74 -3.999 16.138 -13.396 87 HE3 LYS 74 2HE LYS 74 -3.061 16.029 -11.907 88 HZ1 LYS 74 3HZ LYS 74 -2.896 18.137 -13.367 89 HZ2 LYS 74 1HZ LYS 74 -1.847 17.207 -14.314 90 HZ3 LYS 74 2HZ LYS 74 -1.487 17.493 -12.687 91 HA PRO 75 HA PRO 75 1.575 14.165 -8.504 92 HB2 PRO 75 1HB PRO 75 1.104 16.821 -8.196 93 HB3 PRO 75 2HB PRO 75 2.217 16.178 -9.409 94 HG2 PRO 75 1HG PRO 75 -0.617 17.085 -9.732 95 HG3 PRO 75 2HG PRO 75 0.781 17.389 -10.779 96 HD2 PRO 75 1HD PRO 75 -1.072 15.495 -11.336 97 HD3 PRO 75 2HD PRO 75 0.637 15.320 -11.784 98 H PHE 76 H PHE 76 -0.769 16.681 -7.990 99 HA PHE 76 HA PHE 76 -2.579 15.250 -6.358 100 HB2 PHE 76 1HB PHE 76 -1.897 15.999 -4.154 101 HB3 PHE 76 2HB PHE 76 -0.576 15.103 -4.897 102 HD1 PHE 76 HD1 PHE 76 1.151 16.594 -6.215 103 HD2 PHE 76 HD2 PHE 76 -1.428 18.001 -3.135 104 HE1 PHE 76 HE1 PHE 76 2.664 18.495 -5.821 105 HE2 PHE 76 HE2 PHE 76 0.080 19.904 -2.737 106 HZ PHE 76 HZ PHE 76 2.128 20.153 -4.081 107 H VAL 77 H VAL 77 -3.403 17.143 -4.579 108 HA VAL 77 HA VAL 77 -4.152 19.375 -6.349 109 HB VAL 77 HB VAL 77 -5.646 18.248 -3.977 110 HG11 VAL 77 1HG1 VAL 77 -6.275 20.462 -3.952 111 HG12 VAL 77 2HG1 VAL 77 -6.075 20.650 -5.695 112 HG13 VAL 77 3HG1 VAL 77 -7.470 19.780 -5.056 113 HG21 VAL 77 3HG2 VAL 77 -5.738 16.768 -5.898 114 HG22 VAL 77 1HG2 VAL 77 -7.301 17.550 -5.661 115 HG23 VAL 77 2HG2 VAL 77 -6.219 18.109 -6.937 116 HA PRO 78 HA PRO 78 -1.539 21.327 -3.095 117 HB2 PRO 78 1HB PRO 78 -0.459 23.170 -4.770 118 HB3 PRO 78 2HB PRO 78 0.192 21.537 -4.591 119 HG2 PRO 78 1HG PRO 78 -1.606 22.637 -6.717 120 HG3 PRO 78 2HG PRO 78 -0.201 21.568 -6.883 121 HD2 PRO 78 1HD PRO 78 -2.747 20.649 -6.952 122 HD3 PRO 78 2HD PRO 78 -1.403 19.690 -6.300 123 H ASN 79 H ASN 79 -1.293 23.835 -2.756 124 HA ASN 79 HA ASN 79 -3.883 25.121 -3.314 125 HB2 ASN 79 1HB ASN 79 -3.391 24.206 -0.889 126 HB3 ASN 79 2HB ASN 79 -2.440 25.682 -0.753 127 HD21 ASN 79 2HD2 ASN 79 -5.502 24.314 -0.546 128 HD22 ASN 79 1HD2 ASN 79 -6.421 25.771 -0.407 129 H VAL 80 H VAL 80 -1.432 25.415 -4.770 130 HA VAL 80 HA VAL 80 -0.982 28.283 -4.318 131 HB VAL 80 HB VAL 80 1.403 28.015 -4.905 132 HG11 VAL 80 1HG1 VAL 80 0.649 26.331 -2.522 133 HG12 VAL 80 2HG1 VAL 80 2.138 27.248 -2.758 134 HG13 VAL 80 3HG1 VAL 80 0.604 28.093 -2.545 135 HG21 VAL 80 3HG2 VAL 80 1.454 26.004 -6.143 136 HG22 VAL 80 1HG2 VAL 80 2.350 25.676 -4.660 137 HG23 VAL 80 2HG2 VAL 80 0.696 25.091 -4.838 138 H HIS 81 H HIS 81 -0.245 29.441 -6.210 139 HA HIS 81 HA HIS 81 -1.433 28.368 -8.634 140 HB2 HIS 81 1HB HIS 81 -1.786 30.746 -7.780 141 HB3 HIS 81 2HB HIS 81 -0.137 31.072 -8.305 142 HD1 HIS 81 HD1 HIS 81 -3.028 29.290 -10.037 143 HD2 HIS 81 HD2 HIS 81 -0.330 32.389 -10.650 144 HE1 HIS 81 HE1 HIS 81 -3.492 30.136 -12.359 145 H ALA 82 H ALA 82 1.692 29.802 -7.694 146 HA ALA 82 HA ALA 82 2.949 29.001 -10.150 147 HB1 ALA 82 3HB ALA 82 4.810 29.658 -8.045 148 HB2 ALA 82 1HB ALA 82 4.488 30.494 -9.565 149 HB3 ALA 82 2HB ALA 82 3.510 30.845 -8.140 150 H1 GLY 541 1H GLY 541 4.092 24.519 19.048 151 HA2 GLY 541 1HA GLY 541 2.348 23.038 18.412 152 HA3 GLY 541 2HA GLY 541 3.269 23.271 16.934 153 H GLN 542 H GLN 542 5.455 21.764 17.214 154 HA GLN 542 HA GLN 542 6.052 19.607 16.680 155 HB2 GLN 542 1HB GLN 542 6.062 18.146 18.628 156 HB3 GLN 542 2HB GLN 542 6.501 19.785 19.091 157 HG2 GLN 542 1HG GLN 542 4.461 20.160 20.154 158 HG3 GLN 542 2HG GLN 542 3.686 18.800 19.344 159 HE21 GLN 542 2HE2 GLN 542 3.902 19.449 22.193 160 HE22 GLN 542 1HE2 GLN 542 4.641 18.075 22.934 161 H GLU 543 H GLU 543 3.596 20.192 15.512 162 HA GLU 543 HA GLU 543 2.212 17.601 15.741 163 HB2 GLU 543 1HB GLU 543 0.145 18.841 14.992 164 HB3 GLU 543 2HB GLU 543 0.703 19.213 16.617 165 HG2 GLU 543 1HG GLU 543 1.785 21.248 15.750 166 HG3 GLU 543 2HG GLU 543 1.132 20.886 14.153 167 HA PRO 544 HA PRO 544 3.876 18.234 11.429 168 HB2 PRO 544 1HB PRO 544 5.056 15.795 11.257 169 HB3 PRO 544 2HB PRO 544 5.871 17.211 11.931 170 HG2 PRO 544 1HG PRO 544 4.508 14.956 13.351 171 HG3 PRO 544 2HG PRO 544 6.049 15.747 13.729 172 HD2 PRO 544 1HD PRO 544 3.756 16.318 15.050 173 HD3 PRO 544 2HD PRO 544 5.023 17.530 14.769 174 H LEU 545 H LEU 545 3.782 16.270 9.678 175 HA LEU 545 HA LEU 545 1.112 15.866 9.097 176 HB2 LEU 545 1HB LEU 545 3.048 15.624 7.535 177 HB3 LEU 545 2HB LEU 545 3.367 14.050 8.261 178 HG LEU 545 HG LEU 545 2.135 14.064 6.045 179 HD11 LEU 545 1HD1 LEU 545 0.418 12.702 8.042 180 HD12 LEU 545 2HD1 LEU 545 2.132 12.289 8.016 181 HD13 LEU 545 3HD1 LEU 545 1.153 12.082 6.563 182 HD21 LEU 545 3HD2 LEU 545 0.637 15.935 6.524 183 HD22 LEU 545 1HD2 LEU 545 -0.127 14.999 7.809 184 HD23 LEU 545 2HD2 LEU 545 -0.269 14.473 6.132 185 H THR 546 H THR 546 -0.414 14.486 9.745 186 HA THR 546 HA THR 546 0.266 11.903 10.861 187 HB THR 546 HB THR 546 -1.468 13.618 12.600 188 HG1 THR 546 HG1 THR 546 0.267 14.852 12.834 189 HG21 THR 546 3HG2 THR 546 -1.510 11.340 13.198 190 HG22 THR 546 1HG2 THR 546 -0.382 12.083 14.332 191 HG23 THR 546 2HG2 THR 546 0.228 11.159 12.959 192 H ALA 547 H ALA 547 -1.707 10.623 11.374 193 HA ALA 547 HA ALA 547 -3.557 10.761 9.243 194 HB1 ALA 547 3HB ALA 547 -3.034 8.997 11.503 195 HB2 ALA 547 1HB ALA 547 -4.745 9.115 11.090 196 HB3 ALA 547 2HB ALA 547 -3.575 8.617 9.868 197 H SER 548 H SER 548 -3.562 12.047 12.471 198 HA SER 548 HA SER 548 -6.327 12.438 12.807 199 HB2 SER 548 1HB SER 548 -4.238 12.765 14.438 200 HB3 SER 548 2HB SER 548 -4.435 14.445 13.936 201 HG SER 548 HG SER 548 -5.668 13.907 15.810 202 H MET 549 H MET 549 -3.850 14.354 11.207 203 HA MET 549 HA MET 549 -5.168 16.757 10.868 204 HB2 MET 549 1HB MET 549 -3.112 15.279 9.295 205 HB3 MET 549 2HB MET 549 -3.869 16.682 8.553 206 HG2 MET 549 1HG MET 549 -3.179 17.492 11.131 207 HG3 MET 549 2HG MET 549 -1.808 16.552 10.548 208 HE1 MET 549 3HE MET 549 -0.978 18.415 7.186 209 HE2 MET 549 1HE MET 549 -0.815 16.920 8.108 210 HE3 MET 549 2HE MET 549 -2.319 17.270 7.256 211 H LEU 550 H LEU 550 -5.529 13.754 9.063 212 HA LEU 550 HA LEU 550 -7.594 14.998 7.392 213 HB2 LEU 550 1HB LEU 550 -6.632 12.192 7.042 214 HB3 LEU 550 2HB LEU 550 -7.279 13.309 5.841 215 HG LEU 550 HG LEU 550 -4.517 13.294 7.042 216 HD11 LEU 550 1HD1 LEU 550 -5.426 11.859 4.972 217 HD12 LEU 550 2HD1 LEU 550 -3.785 12.500 5.058 218 HD13 LEU 550 3HD1 LEU 550 -5.018 13.356 4.133 219 HD21 LEU 550 3HD2 LEU 550 -6.026 15.443 5.660 220 HD22 LEU 550 1HD2 LEU 550 -4.333 15.216 5.224 221 HD23 LEU 550 2HD2 LEU 550 -4.774 15.551 6.898 222 H ALA 551 H ALA 551 -8.140 14.488 10.140 223 HA ALA 551 HA ALA 551 -9.803 12.102 10.199 224 HB1 ALA 551 3HB ALA 551 -9.538 14.156 12.379 225 HB2 ALA 551 1HB ALA 551 -10.041 12.471 12.518 226 HB3 ALA 551 2HB ALA 551 -8.363 12.863 12.137 227 H SER 552 H SER 552 -10.420 15.467 11.207 228 HA SER 552 HA SER 552 -13.213 15.143 10.414 229 HB2 SER 552 1HB SER 552 -13.442 17.411 11.569 230 HB3 SER 552 2HB SER 552 -13.003 16.047 12.598 231 HG SER 552 HG SER 552 -11.374 17.247 13.149 232 H ALA 553 H ALA 553 -11.425 15.267 8.284 233 HA ALA 553 HA ALA 553 -12.133 17.872 7.105 234 HB1 ALA 553 3HB ALA 553 -9.576 17.151 7.673 235 HB2 ALA 553 1HB ALA 553 -9.733 16.595 6.006 236 HB3 ALA 553 2HB ALA 553 -10.042 18.285 6.405 237 HA PRO 554 HA PRO 554 -13.923 15.706 3.734 238 HB2 PRO 554 1HB PRO 554 -13.257 17.274 1.619 239 HB3 PRO 554 2HB PRO 554 -14.454 17.750 2.829 240 HG2 PRO 554 1HG PRO 554 -11.576 18.543 2.597 241 HG3 PRO 554 2HG PRO 554 -12.986 19.548 2.981 242 HD2 PRO 554 1HD PRO 554 -11.289 18.630 4.881 243 HD3 PRO 554 2HD PRO 554 -13.021 18.877 5.186 244 HA PRO 555 HA PRO 555 -11.090 13.085 1.628 245 HB2 PRO 555 1HB PRO 555 -12.285 12.709 -0.781 246 HB3 PRO 555 2HB PRO 555 -12.899 12.000 0.717 247 HG2 PRO 555 1HG PRO 555 -13.812 14.457 -0.727 248 HG3 PRO 555 2HG PRO 555 -14.781 13.177 0.026 249 HD2 PRO 555 1HD PRO 555 -14.330 15.562 1.227 250 HD3 PRO 555 2HD PRO 555 -14.520 14.053 2.142 251 H GLN 556 H GLN 556 -11.645 16.232 0.528 252 HA GLN 556 HA GLN 556 -9.751 16.055 -1.681 253 HB2 GLN 556 1HB GLN 556 -11.912 17.423 -1.744 254 HB3 GLN 556 2HB GLN 556 -11.096 18.555 -0.673 255 HG2 GLN 556 1HG GLN 556 -9.412 18.993 -2.321 256 HG3 GLN 556 2HG GLN 556 -10.055 17.732 -3.372 257 HE21 GLN 556 2HE2 GLN 556 -12.000 18.089 -4.463 258 HE22 GLN 556 1HE2 GLN 556 -12.641 19.678 -4.684 259 H GLU 557 H GLU 557 -10.129 17.926 1.329 260 HA GLU 557 HA GLU 557 -7.635 19.180 1.273 261 HB2 GLU 557 1HB GLU 557 -9.783 19.333 2.901 262 HB3 GLU 557 2HB GLU 557 -8.695 18.411 3.929 263 HG2 GLU 557 1HG GLU 557 -7.252 20.142 4.201 264 HG3 GLU 557 2HG GLU 557 -7.611 20.837 2.622 265 H GLN 558 H GLN 558 -8.510 15.935 2.062 266 HA GLN 558 HA GLN 558 -6.484 15.120 3.747 267 HB2 GLN 558 1HB GLN 558 -7.764 13.612 1.463 268 HB3 GLN 558 2HB GLN 558 -6.748 12.870 2.692 269 HG2 GLN 558 1HG GLN 558 -8.657 14.279 4.130 270 HG3 GLN 558 2HG GLN 558 -9.545 13.569 2.783 271 HE21 GLN 558 2HE2 GLN 558 -9.750 12.918 5.576 272 HE22 GLN 558 1HE2 GLN 558 -9.334 11.249 5.734 273 H LYS 559 H LYS 559 -6.424 14.764 0.196 274 HA LYS 559 HA LYS 559 -3.682 14.121 0.072 275 HB2 LYS 559 1HB LYS 559 -3.915 14.616 -2.362 276 HB3 LYS 559 2HB LYS 559 -5.134 13.509 -1.744 277 HG2 LYS 559 1HG LYS 559 -6.742 15.355 -1.632 278 HG3 LYS 559 2HG LYS 559 -5.518 16.448 -2.283 279 HD2 LYS 559 1HD LYS 559 -5.581 15.480 -4.382 280 HD3 LYS 559 2HD LYS 559 -6.213 13.950 -3.769 281 HE2 LYS 559 1HE LYS 559 -8.364 15.035 -3.310 282 HE3 LYS 559 2HE LYS 559 -7.728 16.554 -3.938 283 HZ1 LYS 559 3HZ LYS 559 -7.292 14.590 -5.868 284 HZ2 LYS 559 1HZ LYS 559 -8.340 15.916 -5.950 285 HZ3 LYS 559 2HZ LYS 559 -8.897 14.434 -5.356 286 H GLN 560 H GLN 560 -5.367 17.135 0.269 287 HA GLN 560 HA GLN 560 -3.340 18.808 -0.797 288 HB2 GLN 560 1HB GLN 560 -5.633 19.589 -0.597 289 HB3 GLN 560 2HB GLN 560 -5.570 19.412 1.152 290 HG2 GLN 560 1HG GLN 560 -5.286 21.685 0.821 291 HG3 GLN 560 2HG GLN 560 -3.642 21.094 1.058 292 HE21 GLN 560 2HE2 GLN 560 -5.989 22.099 -1.351 293 HE22 GLN 560 1HE2 GLN 560 -4.838 22.550 -2.558 294 H MET 561 H MET 561 -4.357 18.433 2.606 295 HA MET 561 HA MET 561 -2.102 19.694 3.694 296 HB2 MET 561 1HB MET 561 -3.792 17.574 5.027 297 HB3 MET 561 2HB MET 561 -2.815 18.800 5.823 298 HG2 MET 561 1HG MET 561 -4.264 20.545 5.007 299 HG3 MET 561 2HG MET 561 -5.198 19.374 4.080 300 HE1 MET 561 3HE MET 561 -6.732 17.116 6.505 301 HE2 MET 561 1HE MET 561 -7.746 18.296 5.674 302 HE3 MET 561 2HE MET 561 -6.360 17.585 4.846 303 H LEU 562 H LEU 562 -2.798 16.260 3.142 304 HA LEU 562 HA LEU 562 -0.450 15.240 4.301 305 HB2 LEU 562 1HB LEU 562 -2.414 13.876 3.768 306 HB3 LEU 562 2HB LEU 562 -2.102 14.104 2.048 307 HG LEU 562 HG LEU 562 0.060 12.884 3.673 308 HD11 LEU 562 1HD1 LEU 562 -2.628 11.807 3.558 309 HD12 LEU 562 2HD1 LEU 562 -1.238 11.283 4.508 310 HD13 LEU 562 3HD1 LEU 562 -1.439 10.713 2.851 311 HD21 LEU 562 3HD2 LEU 562 -0.705 11.578 1.220 312 HD22 LEU 562 1HD2 LEU 562 0.823 12.343 1.658 313 HD23 LEU 562 2HD2 LEU 562 -0.482 13.311 0.972 314 H GLY 563 H GLY 563 -1.208 15.748 0.846 315 HA2 GLY 563 1HA GLY 563 1.347 15.149 -0.130 316 HA3 GLY 563 2HA GLY 563 0.157 16.146 -0.954 317 H GLU 564 H GLU 564 -0.012 18.213 0.990 318 HA GLU 564 HA GLU 564 2.135 19.843 0.150 319 HB2 GLU 564 1HB GLU 564 -0.056 20.155 2.178 320 HB3 GLU 564 2HB GLU 564 1.219 21.359 2.058 321 HG2 GLU 564 1HG GLU 564 -0.126 20.584 -0.456 322 HG3 GLU 564 2HG GLU 564 -1.066 21.521 0.703 323 H ARG 565 H ARG 565 1.495 18.081 3.139 324 HA ARG 565 HA ARG 565 3.800 19.120 4.494 325 HB2 ARG 565 1HB ARG 565 1.630 17.209 5.091 326 HB3 ARG 565 2HB ARG 565 3.157 16.891 5.902 327 HG2 ARG 565 1HG ARG 565 3.060 19.388 6.558 328 HG3 ARG 565 2HG ARG 565 1.349 19.257 6.145 329 HD2 ARG 565 1HD ARG 565 1.087 17.441 7.743 330 HD3 ARG 565 2HD ARG 565 2.806 17.511 8.126 331 HE ARG 565 HE ARG 565 0.750 19.211 9.144 332 HH11 ARG 565 1HH1 ARG 565 4.126 19.070 8.307 333 HH12 ARG 565 2HH1 ARG 565 4.585 20.326 9.408 334 HH21 ARG 565 1HH2 ARG 565 1.342 20.866 10.597 335 HH22 ARG 565 2HH2 ARG 565 3.001 21.346 10.711 336 H LEU 566 H LEU 566 3.043 16.258 2.610 337 HA LEU 566 HA LEU 566 5.479 14.888 3.244 338 HB2 LEU 566 1HB LEU 566 3.090 14.401 1.660 339 HB3 LEU 566 2HB LEU 566 4.553 13.823 0.867 340 HG LEU 566 HG LEU 566 5.012 12.668 3.158 341 HD11 LEU 566 1HD1 LEU 566 2.085 13.315 3.304 342 HD12 LEU 566 2HD1 LEU 566 3.332 13.562 4.525 343 HD13 LEU 566 3HD1 LEU 566 2.783 11.930 4.144 344 HD21 LEU 566 3HD2 LEU 566 3.060 11.820 1.046 345 HD22 LEU 566 1HD2 LEU 566 3.471 10.760 2.395 346 HD23 LEU 566 2HD2 LEU 566 4.730 11.306 1.287 347 H PHE 567 H PHE 567 4.490 17.242 0.907 348 HA PHE 567 HA PHE 567 6.232 16.876 -1.181 349 HB2 PHE 567 1HB PHE 567 4.801 18.645 -1.543 350 HB3 PHE 567 2HB PHE 567 5.015 19.289 0.081 351 HD1 PHE 567 HD1 PHE 567 7.310 18.553 -2.771 352 HD2 PHE 567 HD2 PHE 567 5.894 21.400 0.058 353 HE1 PHE 567 HE1 PHE 567 8.906 20.209 -3.645 354 HE2 PHE 567 HE2 PHE 567 7.487 23.061 -0.811 355 HZ PHE 567 HZ PHE 567 8.995 22.467 -2.666 356 HA PRO 568 HA PRO 568 9.656 19.366 1.150 357 HB2 PRO 568 1HB PRO 568 9.261 19.846 3.793 358 HB3 PRO 568 2HB PRO 568 8.718 20.950 2.524 359 HG2 PRO 568 1HG PRO 568 7.157 18.897 4.044 360 HG3 PRO 568 2HG PRO 568 6.699 20.554 3.608 361 HD2 PRO 568 1HD PRO 568 5.826 18.391 2.233 362 HD3 PRO 568 2HD PRO 568 6.118 19.961 1.458 363 H LEU 569 H LEU 569 7.933 17.113 3.301 364 HA LEU 569 HA LEU 569 10.062 16.056 4.693 365 HB2 LEU 569 1HB LEU 569 7.503 15.579 4.806 366 HB3 LEU 569 2HB LEU 569 7.887 14.262 3.699 367 HG LEU 569 HG LEU 569 7.741 13.526 6.041 368 HD11 LEU 569 1HD1 LEU 569 10.618 13.299 5.285 369 HD12 LEU 569 2HD1 LEU 569 9.382 12.606 4.237 370 HD13 LEU 569 3HD1 LEU 569 9.519 12.071 5.912 371 HD21 LEU 569 3HD2 LEU 569 8.637 15.731 6.937 372 HD22 LEU 569 1HD2 LEU 569 10.243 15.108 6.557 373 HD23 LEU 569 2HD2 LEU 569 9.220 14.259 7.716 374 H ILE 570 H ILE 570 8.970 15.304 1.436 375 HA ILE 570 HA ILE 570 10.746 13.084 1.087 376 HB ILE 570 HB ILE 570 9.179 14.719 -0.907 377 HG12 ILE 570 1HG1 ILE 570 8.766 11.888 0.073 378 HG13 ILE 570 2HG1 ILE 570 7.908 13.287 0.709 379 HG21 ILE 570 1HG2 ILE 570 11.070 12.437 -1.285 380 HG22 ILE 570 2HG2 ILE 570 9.690 12.629 -2.364 381 HG23 ILE 570 3HG2 ILE 570 10.891 13.913 -2.232 382 HD11 ILE 570 3HD1 ILE 570 6.470 13.294 -0.983 383 HD12 ILE 570 1HD1 ILE 570 7.746 13.088 -2.183 384 HD13 ILE 570 2HD1 ILE 570 7.082 11.682 -1.351 385 H GLN 571 H GLN 571 10.861 16.527 0.417 386 HA GLN 571 HA GLN 571 13.049 16.608 -1.306 387 HB2 GLN 571 1HB GLN 571 12.125 18.587 0.779 388 HB3 GLN 571 2HB GLN 571 13.396 18.928 -0.387 389 HG2 GLN 571 1HG GLN 571 11.800 18.554 -2.213 390 HG3 GLN 571 2HG GLN 571 10.531 18.265 -1.025 391 HE21 GLN 571 2HE2 GLN 571 11.461 20.445 -3.123 392 HE22 GLN 571 1HE2 GLN 571 11.059 21.911 -2.303 393 H ALA 572 H ALA 572 12.895 15.867 2.044 394 HA ALA 572 HA ALA 572 15.377 16.625 2.995 395 HB1 ALA 572 3HB ALA 572 13.988 15.756 4.616 396 HB2 ALA 572 1HB ALA 572 13.549 14.354 3.640 397 HB3 ALA 572 2HB ALA 572 15.142 14.441 4.394 398 H MET 573 H MET 573 14.536 13.999 0.846 399 HA MET 573 HA MET 573 17.384 13.256 0.712 400 HB2 MET 573 1HB MET 573 16.405 11.044 -0.227 401 HB3 MET 573 2HB MET 573 16.367 11.323 1.508 402 HG2 MET 573 1HG MET 573 14.011 12.200 -0.048 403 HG3 MET 573 2HG MET 573 14.262 10.465 0.131 404 HE1 MET 573 3HE MET 573 11.423 11.406 2.640 405 HE2 MET 573 1HE MET 573 11.775 11.368 0.912 406 HE3 MET 573 2HE MET 573 12.015 9.922 1.892 407 H HIS 574 H HIS 574 14.409 13.780 -1.105 408 HA HIS 574 HA HIS 574 16.044 14.140 -3.527 409 HB2 HIS 574 1HB HIS 574 13.548 12.562 -3.130 410 HB3 HIS 574 2HB HIS 574 13.735 13.429 -4.652 411 HD1 HIS 574 HD1 HIS 574 15.728 12.689 -6.192 412 HD2 HIS 574 HD2 HIS 574 15.102 10.290 -2.858 413 HE1 HIS 574 HE1 HIS 574 17.035 10.584 -6.623 414 HA PRO 575 HA PRO 575 13.670 18.010 -2.571 415 HB2 PRO 575 1HB PRO 575 15.755 19.681 -3.049 416 HB3 PRO 575 2HB PRO 575 15.472 18.923 -1.477 417 HG2 PRO 575 1HG PRO 575 17.366 18.122 -3.653 418 HG3 PRO 575 2HG PRO 575 17.635 18.182 -1.901 419 HD2 PRO 575 1HD PRO 575 17.108 15.874 -3.216 420 HD3 PRO 575 2HD PRO 575 16.586 16.161 -1.544 421 H THR 576 H THR 576 15.226 16.605 -5.224 422 HA THR 576 HA THR 576 14.435 18.752 -7.057 423 HB THR 576 HB THR 576 15.594 17.072 -8.737 424 HG1 THR 576 HG1 THR 576 15.848 15.596 -6.770 425 HG21 THR 576 3HG2 THR 576 17.827 18.134 -8.077 426 HG22 THR 576 1HG2 THR 576 16.928 18.933 -6.788 427 HG23 THR 576 2HG2 THR 576 16.501 19.227 -8.473 428 H LEU 577 H LEU 577 13.952 15.293 -6.466 429 HA LEU 577 HA LEU 577 11.805 15.261 -8.462 430 HB2 LEU 577 1HB LEU 577 13.220 13.034 -7.007 431 HB3 LEU 577 2HB LEU 577 11.870 12.793 -8.114 432 HG LEU 577 HG LEU 577 13.797 12.278 -9.351 433 HD11 LEU 577 1HD1 LEU 577 13.458 13.583 -11.164 434 HD12 LEU 577 2HD1 LEU 577 13.620 15.084 -10.254 435 HD13 LEU 577 3HD1 LEU 577 12.110 14.176 -10.194 436 HD21 LEU 577 3HD2 LEU 577 15.267 14.773 -9.107 437 HD22 LEU 577 1HD2 LEU 577 15.830 13.108 -8.964 438 HD23 LEU 577 2HD2 LEU 577 15.117 13.920 -7.570 439 H ALA 578 H ALA 578 11.857 16.304 -5.542 440 HA ALA 578 HA ALA 578 10.225 14.762 -3.915 441 HB1 ALA 578 3HB ALA 578 9.945 17.741 -3.983 442 HB2 ALA 578 1HB ALA 578 9.933 16.648 -2.598 443 HB3 ALA 578 2HB ALA 578 11.445 16.991 -3.439 444 H GLY 579 H GLY 579 9.224 17.347 -6.166 445 HA2 GLY 579 1HA GLY 579 6.496 17.233 -5.806 446 HA3 GLY 579 2HA GLY 579 7.265 17.634 -7.334 447 H LYS 580 H LYS 580 8.389 15.327 -8.145 448 HA LYS 580 HA LYS 580 6.201 13.877 -9.162 449 HB2 LYS 580 1HB LYS 580 9.071 12.945 -9.033 450 HB3 LYS 580 2HB LYS 580 7.834 12.414 -10.165 451 HG2 LYS 580 1HG LYS 580 9.064 15.158 -10.015 452 HG3 LYS 580 2HG LYS 580 9.362 13.932 -11.250 453 HD2 LYS 580 1HD LYS 580 6.683 15.204 -10.690 454 HD3 LYS 580 2HD LYS 580 7.780 15.688 -11.986 455 HE2 LYS 580 1HE LYS 580 7.650 13.374 -12.880 456 HE3 LYS 580 2HE LYS 580 6.448 13.004 -11.646 457 HZ1 LYS 580 3HZ LYS 580 6.194 14.620 -14.062 458 HZ2 LYS 580 1HZ LYS 580 5.330 15.136 -12.702 459 HZ3 LYS 580 2HZ LYS 580 5.073 13.587 -13.328 460 H ILE 581 H ILE 581 8.604 13.030 -6.680 461 HA ILE 581 HA ILE 581 7.696 10.475 -6.080 462 HB ILE 581 HB ILE 581 8.911 12.504 -4.201 463 HG12 ILE 581 1HG1 ILE 581 10.395 10.189 -5.365 464 HG13 ILE 581 2HG1 ILE 581 10.102 11.591 -6.388 465 HG21 ILE 581 1HG2 ILE 581 8.617 9.517 -3.909 466 HG22 ILE 581 2HG2 ILE 581 9.536 10.564 -2.828 467 HG23 ILE 581 3HG2 ILE 581 7.787 10.749 -2.958 468 HD11 ILE 581 3HD1 ILE 581 11.090 12.925 -4.401 469 HD12 ILE 581 1HD1 ILE 581 11.753 11.365 -3.916 470 HD13 ILE 581 2HD1 ILE 581 12.167 12.049 -5.488 471 H THR 582 H THR 582 6.941 13.452 -4.260 472 HA THR 582 HA THR 582 4.999 12.359 -2.598 473 HB THR 582 HB THR 582 6.046 14.646 -2.379 474 HG1 THR 582 HG1 THR 582 3.223 14.822 -2.253 475 HG21 THR 582 3HG2 THR 582 3.909 15.377 -4.385 476 HG22 THR 582 1HG2 THR 582 5.648 15.423 -4.668 477 HG23 THR 582 2HG2 THR 582 4.917 16.514 -3.491 478 H GLY 583 H GLY 583 4.753 13.552 -5.890 479 HA2 GLY 583 1HA GLY 583 1.964 13.764 -6.083 480 HA3 GLY 583 2HA GLY 583 3.053 13.454 -7.427 481 H MET 584 H MET 584 3.993 11.063 -7.237 482 HA MET 584 HA MET 584 1.809 9.352 -7.745 483 HB2 MET 584 1HB MET 584 4.660 8.540 -7.163 484 HB3 MET 584 2HB MET 584 3.454 7.604 -8.036 485 HG2 MET 584 1HG MET 584 3.525 9.043 -9.890 486 HG3 MET 584 2HG MET 584 4.388 10.288 -8.990 487 HE1 MET 584 3HE MET 584 6.571 9.089 -7.508 488 HE2 MET 584 1HE MET 584 7.930 8.744 -8.577 489 HE3 MET 584 2HE MET 584 7.096 10.294 -8.685 490 H LEU 585 H LEU 585 4.027 9.607 -4.988 491 HA LEU 585 HA LEU 585 3.078 7.430 -3.519 492 HB2 LEU 585 1HB LEU 585 4.554 9.924 -2.895 493 HB3 LEU 585 2HB LEU 585 3.829 9.054 -1.544 494 HG LEU 585 HG LEU 585 5.125 7.064 -2.124 495 HD11 LEU 585 1HD1 LEU 585 6.531 8.741 -4.187 496 HD12 LEU 585 2HD1 LEU 585 5.227 7.621 -4.581 497 HD13 LEU 585 3HD1 LEU 585 6.721 7.017 -3.866 498 HD21 LEU 585 3HD2 LEU 585 6.619 7.903 -0.716 499 HD22 LEU 585 1HD2 LEU 585 6.158 9.545 -1.165 500 HD23 LEU 585 2HD2 LEU 585 7.420 8.706 -2.068 501 H LEU 586 H LEU 586 1.806 10.651 -3.923 502 HA LEU 586 HA LEU 586 -0.087 10.400 -1.755 503 HB2 LEU 586 1HB LEU 586 0.667 12.589 -2.134 504 HB3 LEU 586 2HB LEU 586 0.419 12.462 -3.874 505 HG LEU 586 HG LEU 586 -1.977 12.281 -2.128 506 HD11 LEU 586 1HD1 LEU 586 -1.945 14.919 -2.475 507 HD12 LEU 586 2HD1 LEU 586 -0.209 14.648 -2.327 508 HD13 LEU 586 3HD1 LEU 586 -1.293 14.145 -1.031 509 HD21 LEU 586 3HD2 LEU 586 -2.700 12.199 -4.262 510 HD22 LEU 586 1HD2 LEU 586 -1.268 13.012 -4.894 511 HD23 LEU 586 2HD2 LEU 586 -2.563 13.955 -4.155 512 H GLU 587 H GLU 587 0.060 9.554 -5.064 513 HA GLU 587 HA GLU 587 -2.758 9.630 -5.584 514 HB2 GLU 587 1HB GLU 587 -0.989 9.783 -7.352 515 HB3 GLU 587 2HB GLU 587 -0.626 8.087 -7.067 516 HG2 GLU 587 1HG GLU 587 -2.388 7.385 -8.243 517 HG3 GLU 587 2HG GLU 587 -3.452 8.622 -7.574 518 H ILE 588 H ILE 588 -0.442 6.951 -5.154 519 HA ILE 588 HA ILE 588 -1.934 4.751 -5.260 520 HB ILE 588 HB ILE 588 -0.696 4.129 -2.948 521 HG12 ILE 588 1HG1 ILE 588 1.062 6.278 -4.131 522 HG13 ILE 588 2HG1 ILE 588 -0.006 6.579 -2.764 523 HG21 ILE 588 1HG2 ILE 588 0.027 4.101 -5.787 524 HG22 ILE 588 2HG2 ILE 588 1.391 3.943 -4.682 525 HG23 ILE 588 3HG2 ILE 588 0.050 2.802 -4.596 526 HD11 ILE 588 3HD1 ILE 588 2.407 6.061 -2.235 527 HD12 ILE 588 1HD1 ILE 588 1.193 5.113 -1.376 528 HD13 ILE 588 2HD1 ILE 588 2.062 4.407 -2.740 529 H ASP 589 H ASP 589 -1.698 6.582 -2.204 530 HA ASP 589 HA ASP 589 -4.401 6.726 -1.642 531 HB2 ASP 589 1HB ASP 589 -3.351 4.069 -1.263 532 HB3 ASP 589 2HB ASP 589 -3.882 4.734 0.280 533 H ASN 590 H ASN 590 -4.072 8.590 -0.580 534 HA ASN 590 HA ASN 590 -1.944 9.308 1.014 535 HB2 ASN 590 1HB ASN 590 -3.669 10.880 2.133 536 HB3 ASN 590 2HB ASN 590 -3.379 11.055 0.405 537 HD21 ASN 590 2HD2 ASN 590 -5.681 10.596 2.801 538 HD22 ASN 590 1HD2 ASN 590 -7.032 10.223 1.790 539 H SER 591 H SER 591 -4.953 7.705 1.969 540 HA SER 591 HA SER 591 -4.633 7.732 4.724 541 HB2 SER 591 1HB SER 591 -6.560 6.801 3.157 542 HB3 SER 591 2HB SER 591 -5.732 5.270 3.437 543 HG SER 591 HG SER 591 -7.066 5.362 5.120 544 H GLU 592 H GLU 592 -3.288 5.523 2.323 545 HA GLU 592 HA GLU 592 -2.176 3.678 4.154 546 HB2 GLU 592 1HB GLU 592 -2.555 3.284 1.698 547 HB3 GLU 592 2HB GLU 592 -1.163 4.309 1.380 548 HG2 GLU 592 1HG GLU 592 -0.665 2.147 3.290 549 HG3 GLU 592 2HG GLU 592 -1.084 1.612 1.663 550 H LEU 593 H LEU 593 -1.027 6.695 2.792 551 HA LEU 593 HA LEU 593 1.674 6.405 3.657 552 HB2 LEU 593 1HB LEU 593 0.445 9.085 3.256 553 HB3 LEU 593 2HB LEU 593 2.039 8.496 2.787 554 HG LEU 593 HG LEU 593 -0.572 7.865 1.410 555 HD11 LEU 593 1HD1 LEU 593 1.591 9.199 -0.046 556 HD12 LEU 593 2HD1 LEU 593 0.873 10.163 1.244 557 HD13 LEU 593 3HD1 LEU 593 -0.144 9.515 -0.043 558 HD21 LEU 593 3HD2 LEU 593 0.676 6.619 -0.173 559 HD22 LEU 593 1HD2 LEU 593 1.157 6.031 1.419 560 HD23 LEU 593 2HD2 LEU 593 2.212 7.130 0.530 561 H LEU 594 H LEU 594 -1.241 7.774 5.049 562 HA LEU 594 HA LEU 594 -0.080 9.196 7.169 563 HB2 LEU 594 1HB LEU 594 -2.761 7.898 6.805 564 HB3 LEU 594 2HB LEU 594 -2.337 8.746 8.291 565 HG LEU 594 HG LEU 594 -2.395 9.990 5.542 566 HD11 LEU 594 1HD1 LEU 594 -4.322 11.205 7.065 567 HD12 LEU 594 2HD1 LEU 594 -4.475 9.511 7.528 568 HD13 LEU 594 3HD1 LEU 594 -4.608 9.977 5.832 569 HD21 LEU 594 3HD2 LEU 594 -1.446 11.793 6.435 570 HD22 LEU 594 1HD2 LEU 594 -1.062 10.802 7.842 571 HD23 LEU 594 2HD2 LEU 594 -2.539 11.765 7.820 572 H HIS 595 H HIS 595 -0.322 5.844 6.611 573 HA HIS 595 HA HIS 595 0.389 5.296 9.418 574 HB2 HIS 595 1HB HIS 595 -1.770 4.273 8.086 575 HB3 HIS 595 2HB HIS 595 -0.563 3.019 7.816 576 HD1 HIS 595 HD1 HIS 595 -2.423 4.756 10.591 577 HD2 HIS 595 HD2 HIS 595 0.018 1.445 10.009 578 HE1 HIS 595 HE1 HIS 595 -2.541 3.449 12.736 579 H MET 596 H MET 596 1.390 5.213 6.180 580 HA MET 596 HA MET 596 3.343 3.099 6.552 581 HB2 MET 596 1HB MET 596 2.191 3.378 4.385 582 HB3 MET 596 2HB MET 596 2.923 4.967 4.212 583 HG2 MET 596 1HG MET 596 5.005 3.124 4.715 584 HG3 MET 596 2HG MET 596 3.963 2.430 3.475 585 HE1 MET 596 3HE MET 596 3.186 3.839 1.327 586 HE2 MET 596 1HE MET 596 2.876 5.323 2.228 587 HE3 MET 596 2HE MET 596 3.937 5.353 0.820 588 H LEU 597 H LEU 597 3.144 6.497 6.919 589 HA LEU 597 HA LEU 597 5.869 7.157 6.479 590 HB2 LEU 597 1HB LEU 597 5.355 9.270 7.316 591 HB3 LEU 597 2HB LEU 597 3.858 8.717 6.569 592 HG LEU 597 HG LEU 597 3.233 9.783 8.574 593 HD11 LEU 597 1HD1 LEU 597 2.179 8.039 9.834 594 HD12 LEU 597 2HD1 LEU 597 3.327 6.845 9.232 595 HD13 LEU 597 3HD1 LEU 597 2.166 7.584 8.130 596 HD21 LEU 597 3HD2 LEU 597 4.410 9.827 10.494 597 HD22 LEU 597 1HD2 LEU 597 5.735 9.298 9.457 598 HD23 LEU 597 2HD2 LEU 597 4.830 8.116 10.402 599 H GLU 598 H GLU 598 4.431 5.304 8.843 600 HA GLU 598 HA GLU 598 6.187 6.084 11.015 601 HB2 GLU 598 1HB GLU 598 4.262 3.761 10.818 602 HB3 GLU 598 2HB GLU 598 5.074 4.308 12.278 603 HG2 GLU 598 1HG GLU 598 3.781 6.564 11.281 604 HG3 GLU 598 2HG GLU 598 2.634 5.241 11.075 605 H SER 599 H SER 599 6.294 4.004 8.340 606 HA SER 599 HA SER 599 8.314 2.272 9.570 607 HB2 SER 599 1HB SER 599 6.498 1.157 8.335 608 HB3 SER 599 2HB SER 599 6.942 2.046 6.879 609 HG SER 599 HG SER 599 8.540 0.162 8.278 610 HA PRO 600 HA PRO 600 11.423 4.837 7.675 611 HB2 PRO 600 1HB PRO 600 13.542 3.350 8.491 612 HB3 PRO 600 2HB PRO 600 12.670 4.449 9.565 613 HG2 PRO 600 1HG PRO 600 12.417 1.480 9.283 614 HG3 PRO 600 2HG PRO 600 12.457 2.464 10.757 615 HD2 PRO 600 1HD PRO 600 10.151 1.511 9.704 616 HD3 PRO 600 2HD PRO 600 10.237 3.057 10.573 617 H GLU 601 H GLU 601 11.668 1.284 7.456 618 HA GLU 601 HA GLU 601 13.262 1.255 5.130 619 HB2 GLU 601 1HB GLU 601 12.967 -0.660 6.710 620 HB3 GLU 601 2HB GLU 601 11.348 -0.889 6.063 621 HG2 GLU 601 1HG GLU 601 12.877 -2.457 5.058 622 HG3 GLU 601 2HG GLU 601 12.300 -1.313 3.848 623 H SER 602 H SER 602 9.927 1.847 5.610 624 HA SER 602 HA SER 602 9.154 1.134 2.908 625 HB2 SER 602 1HB SER 602 7.553 2.565 5.042 626 HB3 SER 602 2HB SER 602 6.920 1.851 3.559 627 HG SER 602 HG SER 602 6.648 0.180 4.821 628 H LEU 603 H LEU 603 9.397 4.105 4.849 629 HA LEU 603 HA LEU 603 8.624 5.960 2.964 630 HB2 LEU 603 1HB LEU 603 9.060 6.555 5.264 631 HB3 LEU 603 2HB LEU 603 10.773 6.189 5.065 632 HG LEU 603 HG LEU 603 9.962 8.659 5.078 633 HD11 LEU 603 1HD1 LEU 603 12.244 7.637 4.465 634 HD12 LEU 603 2HD1 LEU 603 11.880 9.275 3.922 635 HD13 LEU 603 3HD1 LEU 603 11.755 7.924 2.795 636 HD21 LEU 603 3HD2 LEU 603 9.715 8.310 2.139 637 HD22 LEU 603 1HD2 LEU 603 9.028 9.543 3.197 638 HD23 LEU 603 2HD2 LEU 603 8.312 7.932 3.140 639 H ARG 604 H ARG 604 12.017 5.106 3.677 640 HA ARG 604 HA ARG 604 13.141 6.433 1.500 641 HB2 ARG 604 1HB ARG 604 14.107 3.994 2.999 642 HB3 ARG 604 2HB ARG 604 15.081 4.877 1.831 643 HG2 ARG 604 1HG ARG 604 13.865 6.291 4.167 644 HG3 ARG 604 2HG ARG 604 15.364 5.377 4.344 645 HD2 ARG 604 1HD ARG 604 15.124 7.324 2.103 646 HD3 ARG 604 2HD ARG 604 15.386 7.939 3.734 647 HE ARG 604 HE ARG 604 17.283 6.010 3.441 648 HH11 ARG 604 1HH1 ARG 604 16.386 8.848 1.636 649 HH12 ARG 604 2HH1 ARG 604 17.992 9.146 1.056 650 HH21 ARG 604 1HH2 ARG 604 19.400 6.391 2.684 651 HH22 ARG 604 2HH2 ARG 604 19.705 7.747 1.652 652 H SER 605 H SER 605 11.785 3.200 1.759 653 HA SER 605 HA SER 605 12.711 2.170 -0.684 654 HB2 SER 605 1HB SER 605 11.830 0.529 0.696 655 HB3 SER 605 2HB SER 605 10.438 1.511 1.150 656 HG SER 605 HG SER 605 10.648 -0.307 -0.809 657 H LYS 606 H LYS 606 9.669 3.817 0.130 658 HA LYS 606 HA LYS 606 8.537 3.716 -2.439 659 HB2 LYS 606 1HB LYS 606 8.112 5.518 -0.069 660 HB3 LYS 606 2HB LYS 606 7.242 5.778 -1.574 661 HG2 LYS 606 1HG LYS 606 7.202 3.201 -0.022 662 HG3 LYS 606 2HG LYS 606 5.983 4.470 0.115 663 HD2 LYS 606 1HD LYS 606 6.697 3.037 -2.443 664 HD3 LYS 606 2HD LYS 606 5.321 2.633 -1.413 665 HE2 LYS 606 1HE LYS 606 4.454 4.923 -1.735 666 HE3 LYS 606 2HE LYS 606 5.798 5.256 -2.827 667 HZ1 LYS 606 3HZ LYS 606 3.898 3.033 -3.290 668 HZ2 LYS 606 1HZ LYS 606 4.988 3.722 -4.385 669 HZ3 LYS 606 2HZ LYS 606 3.626 4.592 -3.886 670 H VAL 607 H VAL 607 10.273 6.378 -0.821 671 HA VAL 607 HA VAL 607 10.266 8.225 -2.865 672 HB VAL 607 HB VAL 607 12.484 7.678 -0.889 673 HG11 VAL 607 1HG1 VAL 607 13.661 9.112 -2.140 674 HG12 VAL 607 2HG1 VAL 607 12.241 9.616 -3.060 675 HG13 VAL 607 3HG1 VAL 607 12.583 10.348 -1.492 676 HG21 VAL 607 3HG2 VAL 607 11.174 8.612 0.642 677 HG22 VAL 607 1HG2 VAL 607 10.963 10.040 -0.371 678 HG23 VAL 607 2HG2 VAL 607 9.866 8.669 -0.539 679 H ASP 608 H ASP 608 12.740 5.738 -2.247 680 HA ASP 608 HA ASP 608 14.382 6.298 -4.428 681 HB2 ASP 608 1HB ASP 608 15.167 4.837 -2.692 682 HB3 ASP 608 2HB ASP 608 13.854 3.699 -2.981 683 H GLU 609 H GLU 609 11.741 3.922 -4.176 684 HA GLU 609 HA GLU 609 11.870 2.915 -6.762 685 HB2 GLU 609 1HB GLU 609 9.567 3.236 -4.848 686 HB3 GLU 609 2HB GLU 609 9.367 2.475 -6.420 687 HG2 GLU 609 1HG GLU 609 11.371 1.546 -4.385 688 HG3 GLU 609 2HG GLU 609 9.727 0.918 -4.488 689 H ALA 610 H ALA 610 9.858 5.585 -5.535 690 HA ALA 610 HA ALA 610 8.571 6.280 -7.878 691 HB1 ALA 610 3HB ALA 610 9.191 8.689 -6.530 692 HB2 ALA 610 1HB ALA 610 7.690 7.764 -6.487 693 HB3 ALA 610 2HB ALA 610 8.961 7.438 -5.308 694 H VAL 611 H VAL 611 11.531 7.825 -6.609 695 HA VAL 611 HA VAL 611 12.113 9.449 -8.754 696 HB VAL 611 HB VAL 611 14.172 7.974 -7.108 697 HG11 VAL 611 1HG1 VAL 611 14.559 9.581 -9.283 698 HG12 VAL 611 2HG1 VAL 611 14.689 10.728 -7.948 699 HG13 VAL 611 3HG1 VAL 611 15.736 9.308 -7.999 700 HG21 VAL 611 3HG2 VAL 611 13.489 9.113 -5.328 701 HG22 VAL 611 1HG2 VAL 611 13.739 10.628 -6.195 702 HG23 VAL 611 2HG2 VAL 611 12.177 9.815 -6.274 703 H ALA 612 H ALA 612 12.975 6.045 -8.298 704 HA ALA 612 HA ALA 612 14.585 5.743 -10.571 705 HB1 ALA 612 3HB ALA 612 14.850 3.809 -9.506 706 HB2 ALA 612 1HB ALA 612 13.344 4.019 -8.612 707 HB3 ALA 612 2HB ALA 612 13.322 3.294 -10.220 708 H VAL 613 H VAL 613 11.090 5.389 -10.138 709 HA VAL 613 HA VAL 613 10.513 4.415 -12.717 710 HB VAL 613 HB VAL 613 8.765 6.002 -10.832 711 HG11 VAL 613 1HG1 VAL 613 8.333 5.235 -13.547 712 HG12 VAL 613 2HG1 VAL 613 7.238 4.322 -12.508 713 HG13 VAL 613 3HG1 VAL 613 7.247 6.085 -12.449 714 HG21 VAL 613 3HG2 VAL 613 9.555 3.175 -11.014 715 HG22 VAL 613 1HG2 VAL 613 8.981 4.110 -9.633 716 HG23 VAL 613 2HG2 VAL 613 7.828 3.461 -10.799 717 H LEU 614 H LEU 614 10.785 7.683 -11.423 718 HA LEU 614 HA LEU 614 9.707 9.176 -13.466 719 HB2 LEU 614 1HB LEU 614 12.233 9.839 -11.961 720 HB3 LEU 614 2HB LEU 614 11.165 10.979 -12.776 721 HG LEU 614 HG LEU 614 10.630 9.428 -10.252 722 HD11 LEU 614 1HD1 LEU 614 11.967 11.556 -10.179 723 HD12 LEU 614 2HD1 LEU 614 10.492 11.553 -9.212 724 HD13 LEU 614 3HD1 LEU 614 10.528 12.391 -10.764 725 HD21 LEU 614 3HD2 LEU 614 8.616 9.357 -11.594 726 HD22 LEU 614 1HD2 LEU 614 8.721 11.092 -11.890 727 HD23 LEU 614 2HD2 LEU 614 8.409 10.494 -10.261 728 H GLN 615 H GLN 615 12.766 7.484 -13.376 729 HA GLN 615 HA GLN 615 14.119 8.675 -15.473 730 HB2 GLN 615 1HB GLN 615 15.132 6.973 -14.051 731 HB3 GLN 615 2HB GLN 615 14.051 5.751 -14.708 732 HG2 GLN 615 1HG GLN 615 15.067 6.033 -16.910 733 HG3 GLN 615 2HG GLN 615 16.151 7.258 -16.251 734 HE21 GLN 615 2HE2 GLN 615 17.787 6.628 -14.817 735 HE22 GLN 615 1HE2 GLN 615 18.330 4.991 -14.726 736 H ALA 616 H ALA 616 11.541 6.278 -15.556 737 HA ALA 616 HA ALA 616 11.665 5.555 -18.244 738 HB1 ALA 616 3HB ALA 616 10.224 4.567 -16.385 739 HB2 ALA 616 1HB ALA 616 9.076 5.855 -16.752 740 HB3 ALA 616 2HB ALA 616 9.506 4.675 -17.992 741 H HIS 617 H HIS 617 10.378 8.422 -16.718 742 HA HIS 617 HA HIS 617 9.322 9.361 -19.290 743 HB2 HIS 617 1HB HIS 617 7.751 9.526 -17.451 744 HB3 HIS 617 2HB HIS 617 8.927 10.406 -16.480 745 HD1 HIS 617 HD1 HIS 617 8.789 12.881 -16.595 746 HD2 HIS 617 HD2 HIS 617 6.931 11.064 -19.836 747 HE1 HIS 617 HE1 HIS 617 7.702 14.749 -17.881 748 H GLN 618 H GLN 618 10.803 11.070 -16.543 749 HA GLN 618 HA GLN 618 13.004 11.989 -18.169 750 HB2 GLN 618 1HB GLN 618 11.275 13.556 -18.858 751 HB3 GLN 618 2HB GLN 618 10.908 13.928 -17.179 752 HG2 GLN 618 1HG GLN 618 12.917 15.086 -16.876 753 HG3 GLN 618 2HG GLN 618 13.631 14.400 -18.334 754 HE21 GLN 618 2HE2 GLN 618 11.413 16.754 -17.059 755 HE22 GLN 618 1HE2 GLN 618 11.258 17.689 -18.503 756 H ALA 619 H ALA 619 14.739 12.611 -16.963 757 HA ALA 619 HA ALA 619 14.421 12.398 -14.051 758 HB1 ALA 619 3HB ALA 619 16.766 11.849 -13.957 759 HB2 ALA 619 1HB ALA 619 15.976 10.821 -15.152 760 HB3 ALA 619 2HB ALA 619 16.952 12.194 -15.676 761 H LYS 620 H LYS 620 13.529 14.719 -14.488 762 HA LYS 620 HA LYS 620 13.758 16.973 -14.256 763 HB2 LYS 620 1HB LYS 620 14.881 15.986 -12.149 764 HB3 LYS 620 2HB LYS 620 16.397 16.437 -12.918 765 HG2 LYS 620 1HG LYS 620 15.854 18.206 -11.472 766 HG3 LYS 620 2HG LYS 620 15.464 18.778 -13.096 767 HD2 LYS 620 1HD LYS 620 13.183 18.651 -12.734 768 HD3 LYS 620 2HD LYS 620 13.351 17.462 -11.440 769 HE2 LYS 620 1HE LYS 620 12.688 19.629 -10.548 770 HE3 LYS 620 2HE LYS 620 14.296 19.182 -9.982 771 HZ1 LYS 620 3HZ LYS 620 15.242 20.622 -11.692 772 HZ2 LYS 620 1HZ LYS 620 14.235 21.490 -10.646 773 HZ3 LYS 620 2HZ LYS 620 13.690 21.072 -12.191 774 H GLU 621 H GLU 621 14.859 15.769 -16.661 775 HA GLU 621 HA GLU 621 16.134 16.295 -18.473 776 HB2 GLU 621 1HB GLU 621 15.692 18.947 -17.148 777 HB3 GLU 621 2HB GLU 621 16.721 18.841 -18.569 778 HG2 GLU 621 1HG GLU 621 14.658 17.543 -19.556 779 HG3 GLU 621 2HG GLU 621 13.789 18.442 -18.313 780 H ALA 622 H ALA 622 17.655 15.007 -16.752 781 HA ALA 622 HA ALA 622 20.163 16.553 -16.621 782 HB1 ALA 622 3HB ALA 622 19.383 16.043 -14.393 783 HB2 ALA 622 1HB ALA 622 19.227 14.335 -14.804 784 HB3 ALA 622 2HB ALA 622 20.822 15.087 -14.746 785 H ALA 623 H ALA 623 18.868 13.250 -16.950 786 HA ALA 623 HA ALA 623 21.225 12.586 -18.590 787 HB1 ALA 623 3HB ALA 623 21.142 10.377 -17.837 788 HB2 ALA 623 1HB ALA 623 20.819 11.335 -16.392 789 HB3 ALA 623 2HB ALA 623 19.490 10.544 -17.242 Start of MODEL 19 1 H1 ALA 64 1H ALA 64 -0.210 -2.085 -0.815 2 HA ALA 64 HA ALA 64 0.422 0.166 -2.472 3 HB1 ALA 64 3HB ALA 64 1.529 0.002 0.237 4 HB2 ALA 64 1HB ALA 64 2.729 0.244 -1.033 5 HB3 ALA 64 2HB ALA 64 1.392 1.381 -0.854 6 H PHE 65 H PHE 65 2.151 -0.235 -3.882 7 HA PHE 65 HA PHE 65 3.230 -2.975 -3.774 8 HB2 PHE 65 1HB PHE 65 3.276 -2.800 -6.322 9 HB3 PHE 65 2HB PHE 65 1.694 -2.991 -5.572 10 HD1 PHE 65 HD2 PHE 65 0.165 -1.061 -5.406 11 HD2 PHE 65 HD1 PHE 65 3.840 -0.847 -7.542 12 HE1 PHE 65 HE2 PHE 65 -0.627 0.964 -6.558 13 HE2 PHE 65 HE1 PHE 65 3.055 1.179 -8.697 14 HZ PHE 65 HZ PHE 65 0.818 2.086 -8.206 15 H SER 66 H SER 66 5.344 -2.972 -3.450 16 HA SER 66 HA SER 66 6.950 -0.644 -3.732 17 HB2 SER 66 1HB SER 66 7.406 -2.409 -2.054 18 HB3 SER 66 2HB SER 66 7.827 -3.519 -3.358 19 HG SER 66 HG SER 66 9.513 -2.087 -2.168 20 H ARG 67 H ARG 67 6.137 -3.270 -5.825 21 HA ARG 67 HA ARG 67 8.314 -3.283 -7.567 22 HB2 ARG 67 1HB ARG 67 5.387 -3.809 -8.098 23 HB3 ARG 67 2HB ARG 67 6.663 -4.124 -9.265 24 HG2 ARG 67 1HG ARG 67 7.712 -5.598 -7.470 25 HG3 ARG 67 2HG ARG 67 6.160 -5.476 -6.638 26 HD2 ARG 67 1HD ARG 67 5.062 -6.316 -8.711 27 HD3 ARG 67 2HD ARG 67 6.664 -6.573 -9.400 28 HE ARG 67 HE ARG 67 6.451 -7.878 -6.902 29 HH11 ARG 67 1HH1 ARG 67 5.389 -8.114 -10.210 30 HH12 ARG 67 2HH1 ARG 67 5.222 -9.838 -10.170 31 HH21 ARG 67 1HH2 ARG 67 6.235 -10.148 -6.838 32 HH22 ARG 67 2HH2 ARG 67 5.703 -10.994 -8.252 33 H GLN 68 H GLN 68 7.791 -2.645 -10.040 34 HA GLN 68 HA GLN 68 8.199 0.072 -10.266 35 HB2 GLN 68 1HB GLN 68 8.636 -1.623 -12.042 36 HB3 GLN 68 2HB GLN 68 6.907 -1.689 -12.356 37 HG2 GLN 68 1HG GLN 68 6.858 0.417 -13.291 38 HG3 GLN 68 2HG GLN 68 8.339 0.925 -12.480 39 HE21 GLN 68 2HE2 GLN 68 10.029 1.097 -13.749 40 HE22 GLN 68 1HE2 GLN 68 10.313 0.210 -15.204 41 H LEU 69 H LEU 69 6.939 1.855 -10.602 42 HA LEU 69 HA LEU 69 4.024 1.461 -10.421 43 HB2 LEU 69 1HB LEU 69 4.026 3.716 -9.266 44 HB3 LEU 69 2HB LEU 69 4.639 2.345 -8.344 45 HG LEU 69 HG LEU 69 6.965 3.208 -9.207 46 HD11 LEU 69 1HD1 LEU 69 5.331 5.740 -9.240 47 HD12 LEU 69 2HD1 LEU 69 5.967 4.931 -10.672 48 HD13 LEU 69 3HD1 LEU 69 7.074 5.598 -9.472 49 HD21 LEU 69 3HD2 LEU 69 6.905 3.257 -6.956 50 HD22 LEU 69 1HD2 LEU 69 5.283 3.948 -6.908 51 HD23 LEU 69 2HD2 LEU 69 6.677 4.989 -7.197 52 H ASN 70 H ASN 70 2.795 3.441 -11.186 53 HA ASN 70 HA ASN 70 3.848 4.186 -13.793 54 HB2 ASN 70 1HB ASN 70 1.616 4.885 -14.329 55 HB3 ASN 70 2HB ASN 70 1.499 3.342 -13.488 56 HD21 ASN 70 2HD2 ASN 70 -0.200 5.903 -13.821 57 HD22 ASN 70 1HD2 ASN 70 -0.766 6.199 -12.216 58 H VAL 71 H VAL 71 4.402 6.212 -14.416 59 HA VAL 71 HA VAL 71 4.664 8.207 -12.300 60 HB VAL 71 HB VAL 71 6.641 7.671 -13.682 61 HG11 VAL 71 1HG1 VAL 71 6.769 8.284 -15.993 62 HG12 VAL 71 2HG1 VAL 71 5.359 7.245 -15.780 63 HG13 VAL 71 3HG1 VAL 71 5.154 8.989 -15.948 64 HG21 VAL 71 3HG2 VAL 71 5.701 10.496 -14.151 65 HG22 VAL 71 1HG2 VAL 71 6.308 9.900 -12.606 66 HG23 VAL 71 2HG2 VAL 71 7.365 9.928 -14.017 67 H ASN 72 H ASN 72 2.620 7.472 -14.891 68 HA ASN 72 HA ASN 72 1.924 10.101 -15.720 69 HB2 ASN 72 1HB ASN 72 0.865 7.362 -16.145 70 HB3 ASN 72 2HB ASN 72 -0.274 8.686 -16.373 71 HD21 ASN 72 2HD2 ASN 72 3.170 8.216 -17.095 72 HD22 ASN 72 1HD2 ASN 72 3.053 8.655 -18.762 73 H ALA 73 H ALA 73 1.335 8.413 -12.880 74 HA ALA 73 HA ALA 73 -1.278 9.178 -12.213 75 HB1 ALA 73 3HB ALA 73 0.842 8.995 -10.120 76 HB2 ALA 73 1HB ALA 73 -0.825 8.420 -10.086 77 HB3 ALA 73 2HB ALA 73 0.387 7.556 -11.033 78 H LYS 74 H LYS 74 -2.107 11.135 -11.952 79 HA LYS 74 HA LYS 74 -0.735 13.525 -12.062 80 HB2 LYS 74 1HB LYS 74 -2.750 14.574 -11.625 81 HB3 LYS 74 2HB LYS 74 -3.290 12.997 -12.184 82 HG2 LYS 74 1HG LYS 74 -3.025 13.832 -9.303 83 HG3 LYS 74 2HG LYS 74 -4.532 13.750 -10.220 84 HD2 LYS 74 1HD LYS 74 -2.694 11.412 -9.704 85 HD3 LYS 74 2HD LYS 74 -4.158 11.768 -8.783 86 HE2 LYS 74 1HE LYS 74 -5.493 11.542 -10.817 87 HE3 LYS 74 2HE LYS 74 -4.033 11.206 -11.745 88 HZ1 LYS 74 3HZ LYS 74 -3.774 9.149 -10.749 89 HZ2 LYS 74 1HZ LYS 74 -5.453 9.249 -10.936 90 HZ3 LYS 74 2HZ LYS 74 -4.751 9.536 -9.424 91 HA PRO 75 HA PRO 75 1.108 14.234 -8.142 92 HB2 PRO 75 1HB PRO 75 0.820 16.921 -7.886 93 HB3 PRO 75 2HB PRO 75 1.956 16.181 -9.019 94 HG2 PRO 75 1HG PRO 75 -0.775 17.294 -9.531 95 HG3 PRO 75 2HG PRO 75 0.706 17.479 -10.488 96 HD2 PRO 75 1HD PRO 75 -1.245 15.722 -11.149 97 HD3 PRO 75 2HD PRO 75 0.471 15.414 -11.484 98 H PHE 76 H PHE 76 -1.069 16.923 -7.801 99 HA PHE 76 HA PHE 76 -3.081 15.652 -6.277 100 HB2 PHE 76 1HB PHE 76 -2.487 16.379 -4.040 101 HB3 PHE 76 2HB PHE 76 -1.195 15.374 -4.688 102 HD1 PHE 76 HD1 PHE 76 0.741 16.684 -5.875 103 HD2 PHE 76 HD2 PHE 76 -1.947 18.379 -3.044 104 HE1 PHE 76 HE1 PHE 76 2.369 18.468 -5.402 105 HE2 PHE 76 HE2 PHE 76 -0.325 20.165 -2.567 106 HZ PHE 76 HZ PHE 76 1.836 20.212 -3.747 107 H VAL 77 H VAL 77 -3.873 17.624 -4.572 108 HA VAL 77 HA VAL 77 -4.340 19.881 -6.405 109 HB VAL 77 HB VAL 77 -6.059 18.891 -4.125 110 HG11 VAL 77 1HG1 VAL 77 -6.059 21.381 -5.691 111 HG12 VAL 77 2HG1 VAL 77 -7.627 20.588 -5.528 112 HG13 VAL 77 3HG1 VAL 77 -6.714 21.045 -4.089 113 HG21 VAL 77 3HG2 VAL 77 -5.871 17.682 -6.474 114 HG22 VAL 77 1HG2 VAL 77 -7.418 17.867 -5.647 115 HG23 VAL 77 2HG2 VAL 77 -6.978 18.970 -6.951 116 HA PRO 78 HA PRO 78 -1.795 21.680 -3.013 117 HB2 PRO 78 1HB PRO 78 -0.482 23.417 -4.634 118 HB3 PRO 78 2HB PRO 78 0.035 21.743 -4.401 119 HG2 PRO 78 1HG PRO 78 -1.544 22.943 -6.643 120 HG3 PRO 78 2HG PRO 78 -0.214 21.772 -6.713 121 HD2 PRO 78 1HD PRO 78 -2.812 21.041 -6.931 122 HD3 PRO 78 2HD PRO 78 -1.585 19.995 -6.189 123 H ASN 79 H ASN 79 -1.283 24.268 -2.925 124 HA ASN 79 HA ASN 79 -3.888 25.587 -3.326 125 HB2 ASN 79 1HB ASN 79 -1.904 25.864 -1.064 126 HB3 ASN 79 2HB ASN 79 -3.232 26.993 -1.322 127 HD21 ASN 79 2HD2 ASN 79 -2.318 24.424 0.426 128 HD22 ASN 79 1HD2 ASN 79 -3.858 23.722 0.774 129 H VAL 80 H VAL 80 -1.553 25.504 -5.120 130 HA VAL 80 HA VAL 80 -0.513 28.227 -5.000 131 HB VAL 80 HB VAL 80 0.110 26.081 -7.030 132 HG11 VAL 80 1HG1 VAL 80 1.600 27.491 -7.949 133 HG12 VAL 80 2HG1 VAL 80 0.620 28.743 -7.183 134 HG13 VAL 80 3HG1 VAL 80 2.083 28.158 -6.390 135 HG21 VAL 80 3HG2 VAL 80 1.032 25.037 -5.255 136 HG22 VAL 80 1HG2 VAL 80 2.318 26.223 -5.482 137 HG23 VAL 80 2HG2 VAL 80 1.063 26.503 -4.275 138 H HIS 81 H HIS 81 -2.159 26.141 -7.378 139 HA HIS 81 HA HIS 81 -3.287 28.581 -8.586 140 HB2 HIS 81 1HB HIS 81 -3.354 27.278 -10.736 141 HB3 HIS 81 2HB HIS 81 -1.734 27.656 -10.159 142 HD1 HIS 81 HD1 HIS 81 -3.968 24.839 -10.985 143 HD2 HIS 81 HD2 HIS 81 -0.301 25.409 -9.117 144 HE1 HIS 81 HE1 HIS 81 -2.917 22.558 -10.858 145 H ALA 82 H ALA 82 -4.599 27.411 -6.498 146 HA ALA 82 HA ALA 82 -6.620 25.611 -7.566 147 HB1 ALA 82 3HB ALA 82 -5.958 25.003 -5.406 148 HB2 ALA 82 1HB ALA 82 -6.021 26.666 -4.821 149 HB3 ALA 82 2HB ALA 82 -7.515 25.798 -5.177 150 H1 GLY 541 1H GLY 541 12.535 17.509 11.809 151 HA2 GLY 541 1HA GLY 541 11.870 19.573 13.464 152 HA3 GLY 541 2HA GLY 541 10.747 18.877 12.304 153 H GLN 542 H GLN 542 9.344 19.783 14.163 154 HA GLN 542 HA GLN 542 8.820 17.563 16.024 155 HB2 GLN 542 1HB GLN 542 8.112 19.200 17.713 156 HB3 GLN 542 2HB GLN 542 9.799 19.419 17.267 157 HG2 GLN 542 1HG GLN 542 9.272 21.326 15.933 158 HG3 GLN 542 2HG GLN 542 7.542 21.044 16.124 159 HE21 GLN 542 2HE2 GLN 542 6.885 22.798 17.193 160 HE22 GLN 542 1HE2 GLN 542 7.507 23.324 18.716 161 H GLU 543 H GLU 543 6.549 17.590 16.870 162 HA GLU 543 HA GLU 543 4.333 17.333 16.407 163 HB2 GLU 543 1HB GLU 543 4.884 20.110 15.385 164 HB3 GLU 543 2HB GLU 543 3.269 19.416 15.338 165 HG2 GLU 543 1HG GLU 543 3.648 18.970 17.855 166 HG3 GLU 543 2HG GLU 543 4.930 20.169 17.702 167 HA PRO 544 HA PRO 544 5.259 16.058 12.016 168 HB2 PRO 544 1HB PRO 544 4.821 13.410 12.429 169 HB3 PRO 544 2HB PRO 544 6.393 14.175 12.687 170 HG2 PRO 544 1HG PRO 544 4.285 13.458 14.687 171 HG3 PRO 544 2HG PRO 544 6.043 13.250 14.791 172 HD2 PRO 544 1HD PRO 544 4.743 15.289 16.009 173 HD3 PRO 544 2HD PRO 544 6.395 15.450 15.380 174 H LEU 545 H LEU 545 3.792 14.742 10.570 175 HA LEU 545 HA LEU 545 1.107 15.643 10.900 176 HB2 LEU 545 1HB LEU 545 2.011 15.544 8.699 177 HB3 LEU 545 2HB LEU 545 2.426 13.841 8.884 178 HG LEU 545 HG LEU 545 0.038 13.271 8.890 179 HD11 LEU 545 1HD1 LEU 545 -0.300 15.993 9.443 180 HD12 LEU 545 2HD1 LEU 545 -1.556 14.779 9.201 181 HD13 LEU 545 3HD1 LEU 545 -0.982 15.738 7.836 182 HD21 LEU 545 3HD2 LEU 545 -0.380 14.240 6.470 183 HD22 LEU 545 1HD2 LEU 545 0.843 13.005 6.769 184 HD23 LEU 545 2HD2 LEU 545 1.318 14.697 6.616 185 H THR 546 H THR 546 -0.753 14.478 11.299 186 HA THR 546 HA THR 546 -0.477 11.645 11.996 187 HB THR 546 HB THR 546 -0.248 12.878 14.109 188 HG1 THR 546 HG1 THR 546 -2.840 11.821 14.252 189 HG21 THR 546 3HG2 THR 546 -1.397 14.907 13.731 190 HG22 THR 546 1HG2 THR 546 -2.340 14.057 14.954 191 HG23 THR 546 2HG2 THR 546 -2.882 14.072 13.276 192 H ALA 547 H ALA 547 -2.669 10.635 12.386 193 HA ALA 547 HA ALA 547 -4.304 10.984 10.151 194 HB1 ALA 547 3HB ALA 547 -4.774 9.600 12.777 195 HB2 ALA 547 1HB ALA 547 -5.958 9.584 11.469 196 HB3 ALA 547 2HB ALA 547 -4.357 8.886 11.220 197 H SER 548 H SER 548 -4.305 12.583 13.222 198 HA SER 548 HA SER 548 -6.911 13.454 13.472 199 HB2 SER 548 1HB SER 548 -4.418 15.065 14.072 200 HB3 SER 548 2HB SER 548 -6.022 15.342 14.749 201 HG SER 548 HG SER 548 -4.955 12.792 15.043 202 H MET 549 H MET 549 -4.295 14.873 11.546 203 HA MET 549 HA MET 549 -5.629 17.153 10.654 204 HB2 MET 549 1HB MET 549 -3.397 15.491 9.544 205 HB3 MET 549 2HB MET 549 -4.070 16.799 8.581 206 HG2 MET 549 1HG MET 549 -2.238 17.738 9.674 207 HG3 MET 549 2HG MET 549 -3.640 18.294 10.585 208 HE1 MET 549 3HE MET 549 -0.335 17.593 12.816 209 HE2 MET 549 1HE MET 549 -0.789 18.499 11.372 210 HE3 MET 549 2HE MET 549 -1.649 18.768 12.888 211 H LEU 550 H LEU 550 -5.387 13.956 9.103 212 HA LEU 550 HA LEU 550 -7.469 14.728 7.204 213 HB2 LEU 550 1HB LEU 550 -5.541 12.440 7.376 214 HB3 LEU 550 2HB LEU 550 -6.938 12.370 6.303 215 HG LEU 550 HG LEU 550 -6.052 14.533 5.280 216 HD11 LEU 550 1HD1 LEU 550 -4.451 15.401 6.654 217 HD12 LEU 550 2HD1 LEU 550 -3.430 14.477 5.553 218 HD13 LEU 550 3HD1 LEU 550 -3.843 13.817 7.135 219 HD21 LEU 550 3HD2 LEU 550 -5.930 12.284 4.238 220 HD22 LEU 550 1HD2 LEU 550 -4.345 12.067 4.979 221 HD23 LEU 550 2HD2 LEU 550 -4.593 13.344 3.787 222 H ALA 551 H ALA 551 -8.083 14.307 10.025 223 HA ALA 551 HA ALA 551 -9.688 11.852 9.945 224 HB1 ALA 551 3HB ALA 551 -9.933 13.095 12.462 225 HB2 ALA 551 1HB ALA 551 -9.043 11.628 12.054 226 HB3 ALA 551 2HB ALA 551 -8.233 13.194 12.004 227 H SER 552 H SER 552 -9.997 15.300 10.781 228 HA SER 552 HA SER 552 -12.905 15.061 10.424 229 HB2 SER 552 1HB SER 552 -12.873 17.377 11.552 230 HB3 SER 552 2HB SER 552 -12.488 15.979 12.555 231 HG SER 552 HG SER 552 -10.971 18.123 11.991 232 H ALA 553 H ALA 553 -10.989 15.222 8.226 233 HA ALA 553 HA ALA 553 -11.864 17.775 7.038 234 HB1 ALA 553 3HB ALA 553 -9.253 16.945 7.447 235 HB2 ALA 553 1HB ALA 553 -9.550 16.612 5.740 236 HB3 ALA 553 2HB ALA 553 -9.790 18.240 6.376 237 HA PRO 554 HA PRO 554 -13.780 15.578 3.758 238 HB2 PRO 554 1HB PRO 554 -13.203 17.122 1.602 239 HB3 PRO 554 2HB PRO 554 -14.350 17.612 2.854 240 HG2 PRO 554 1HG PRO 554 -11.485 18.402 2.496 241 HG3 PRO 554 2HG PRO 554 -12.878 19.411 2.926 242 HD2 PRO 554 1HD PRO 554 -11.104 18.515 4.766 243 HD3 PRO 554 2HD PRO 554 -12.822 18.764 5.138 244 HA PRO 555 HA PRO 555 -11.028 12.931 1.578 245 HB2 PRO 555 1HB PRO 555 -12.333 12.505 -0.764 246 HB3 PRO 555 2HB PRO 555 -12.871 11.819 0.774 247 HG2 PRO 555 1HG PRO 555 -13.867 14.245 -0.670 248 HG3 PRO 555 2HG PRO 555 -14.791 12.974 0.151 249 HD2 PRO 555 1HD PRO 555 -14.300 15.382 1.287 250 HD3 PRO 555 2HD PRO 555 -14.437 13.889 2.237 251 H GLN 556 H GLN 556 -11.688 16.047 0.414 252 HA GLN 556 HA GLN 556 -9.843 15.831 -1.838 253 HB2 GLN 556 1HB GLN 556 -11.757 17.940 -0.893 254 HB3 GLN 556 2HB GLN 556 -10.480 18.346 -2.032 255 HG2 GLN 556 1HG GLN 556 -12.256 17.892 -3.420 256 HG3 GLN 556 2HG GLN 556 -11.393 16.355 -3.400 257 HE21 GLN 556 2HE2 GLN 556 -13.327 15.315 -4.025 258 HE22 GLN 556 1HE2 GLN 556 -14.579 14.999 -2.878 259 H GLU 557 H GLU 557 -10.237 17.792 1.110 260 HA GLU 557 HA GLU 557 -7.827 19.181 0.953 261 HB2 GLU 557 1HB GLU 557 -9.568 18.380 3.269 262 HB3 GLU 557 2HB GLU 557 -8.071 19.265 3.524 263 HG2 GLU 557 1HG GLU 557 -10.258 20.226 1.703 264 HG3 GLU 557 2HG GLU 557 -10.160 20.650 3.411 265 H GLN 558 H GLN 558 -8.464 15.900 1.798 266 HA GLN 558 HA GLN 558 -6.341 15.236 3.430 267 HB2 GLN 558 1HB GLN 558 -7.547 13.605 1.189 268 HB3 GLN 558 2HB GLN 558 -6.504 12.961 2.451 269 HG2 GLN 558 1HG GLN 558 -8.497 14.289 3.838 270 HG3 GLN 558 2HG GLN 558 -9.340 13.520 2.494 271 HE21 GLN 558 2HE2 GLN 558 -9.447 12.932 5.347 272 HE22 GLN 558 1HE2 GLN 558 -8.993 11.273 5.512 273 H LYS 559 H LYS 559 -6.362 14.817 -0.115 274 HA LYS 559 HA LYS 559 -3.635 14.290 -0.378 275 HB2 LYS 559 1HB LYS 559 -3.978 15.048 -2.773 276 HB3 LYS 559 2HB LYS 559 -5.044 13.767 -2.210 277 HG2 LYS 559 1HG LYS 559 -6.863 15.289 -1.963 278 HG3 LYS 559 2HG LYS 559 -5.813 16.675 -2.265 279 HD2 LYS 559 1HD LYS 559 -7.021 16.258 -4.274 280 HD3 LYS 559 2HD LYS 559 -5.364 15.710 -4.542 281 HE2 LYS 559 1HE LYS 559 -7.376 13.758 -3.535 282 HE3 LYS 559 2HE LYS 559 -7.429 14.226 -5.234 283 HZ1 LYS 559 3HZ LYS 559 -5.693 12.938 -5.666 284 HZ2 LYS 559 1HZ LYS 559 -5.799 12.326 -4.092 285 HZ3 LYS 559 2HZ LYS 559 -4.773 13.629 -4.425 286 H GLN 560 H GLN 560 -5.382 17.333 -0.258 287 HA GLN 560 HA GLN 560 -3.312 19.021 -1.139 288 HB2 GLN 560 1HB GLN 560 -5.468 19.717 0.858 289 HB3 GLN 560 2HB GLN 560 -4.582 20.829 -0.178 290 HG2 GLN 560 1HG GLN 560 -5.638 19.226 -2.047 291 HG3 GLN 560 2HG GLN 560 -6.867 19.073 -0.792 292 HE21 GLN 560 2HE2 GLN 560 -8.491 20.254 -1.586 293 HE22 GLN 560 1HE2 GLN 560 -8.385 21.924 -2.015 294 H MET 561 H MET 561 -4.457 18.665 2.222 295 HA MET 561 HA MET 561 -2.246 19.875 3.412 296 HB2 MET 561 1HB MET 561 -4.020 17.731 4.594 297 HB3 MET 561 2HB MET 561 -3.002 18.845 5.497 298 HG2 MET 561 1HG MET 561 -4.337 20.708 4.853 299 HG3 MET 561 2HG MET 561 -5.252 19.726 3.712 300 HE1 MET 561 3HE MET 561 -6.019 17.452 4.510 301 HE2 MET 561 1HE MET 561 -6.574 17.052 6.136 302 HE3 MET 561 2HE MET 561 -7.630 17.941 5.039 303 H LEU 562 H LEU 562 -2.955 16.380 3.237 304 HA LEU 562 HA LEU 562 -0.587 15.430 4.282 305 HB2 LEU 562 1HB LEU 562 -2.545 14.042 3.771 306 HB3 LEU 562 2HB LEU 562 -2.207 14.212 2.049 307 HG LEU 562 HG LEU 562 -0.129 13.020 3.832 308 HD11 LEU 562 1HD1 LEU 562 -1.203 11.100 4.208 309 HD12 LEU 562 2HD1 LEU 562 -1.917 11.076 2.596 310 HD13 LEU 562 3HD1 LEU 562 -2.676 12.014 3.882 311 HD21 LEU 562 3HD2 LEU 562 0.845 12.837 1.842 312 HD22 LEU 562 1HD2 LEU 562 -0.625 13.342 1.009 313 HD23 LEU 562 2HD2 LEU 562 -0.384 11.644 1.421 314 H GLY 563 H GLY 563 -1.318 15.732 0.796 315 HA2 GLY 563 1HA GLY 563 1.204 15.130 -0.177 316 HA3 GLY 563 2HA GLY 563 0.052 16.177 -0.993 317 H GLU 564 H GLU 564 -0.073 18.316 0.742 318 HA GLU 564 HA GLU 564 2.122 19.847 -0.031 319 HB2 GLU 564 1HB GLU 564 -0.034 20.199 2.015 320 HB3 GLU 564 2HB GLU 564 1.298 21.344 1.963 321 HG2 GLU 564 1HG GLU 564 -0.031 20.752 -0.604 322 HG3 GLU 564 2HG GLU 564 -0.967 21.656 0.584 323 H ARG 565 H ARG 565 1.462 18.220 3.049 324 HA ARG 565 HA ARG 565 3.865 19.126 4.297 325 HB2 ARG 565 1HB ARG 565 1.617 17.348 4.984 326 HB3 ARG 565 2HB ARG 565 3.150 16.925 5.735 327 HG2 ARG 565 1HG ARG 565 3.136 19.551 6.239 328 HG3 ARG 565 2HG ARG 565 1.397 19.256 6.178 329 HD2 ARG 565 1HD ARG 565 2.124 18.994 8.444 330 HD3 ARG 565 2HD ARG 565 1.720 17.401 7.805 331 HE ARG 565 HE ARG 565 3.924 16.787 8.009 332 HH11 ARG 565 1HH1 ARG 565 3.628 20.233 8.406 333 HH12 ARG 565 2HH1 ARG 565 5.262 20.443 8.944 334 HH21 ARG 565 1HH2 ARG 565 6.077 17.051 8.716 335 HH22 ARG 565 2HH2 ARG 565 6.654 18.632 9.119 336 H LEU 566 H LEU 566 2.996 16.423 2.295 337 HA LEU 566 HA LEU 566 5.279 14.820 2.949 338 HB2 LEU 566 1HB LEU 566 2.937 14.621 1.255 339 HB3 LEU 566 2HB LEU 566 4.383 14.020 0.445 340 HG LEU 566 HG LEU 566 4.754 12.527 2.431 341 HD11 LEU 566 1HD1 LEU 566 2.117 13.719 3.188 342 HD12 LEU 566 2HD1 LEU 566 3.550 13.453 4.181 343 HD13 LEU 566 3HD1 LEU 566 2.548 12.086 3.695 344 HD21 LEU 566 3HD2 LEU 566 3.936 11.364 0.631 345 HD22 LEU 566 1HD2 LEU 566 2.452 12.314 0.551 346 HD23 LEU 566 2HD2 LEU 566 2.649 11.090 1.805 347 H PHE 567 H PHE 567 4.587 17.371 0.704 348 HA PHE 567 HA PHE 567 6.431 16.997 -1.295 349 HB2 PHE 567 1HB PHE 567 4.820 19.103 -0.420 350 HB3 PHE 567 2HB PHE 567 6.453 19.760 -0.406 351 HD1 PHE 567 HD2 PHE 567 7.818 18.804 -2.627 352 HD2 PHE 567 HD1 PHE 567 3.655 19.633 -2.309 353 HE1 PHE 567 HE2 PHE 567 7.702 19.139 -5.062 354 HE2 PHE 567 HE1 PHE 567 3.533 19.969 -4.744 355 HZ PHE 567 HZ PHE 567 5.558 19.723 -6.123 356 HA PRO 568 HA PRO 568 9.845 19.142 1.372 357 HB2 PRO 568 1HB PRO 568 9.314 19.504 4.009 358 HB3 PRO 568 2HB PRO 568 8.918 20.706 2.776 359 HG2 PRO 568 1HG PRO 568 7.146 18.677 4.081 360 HG3 PRO 568 2HG PRO 568 6.815 20.380 3.714 361 HD2 PRO 568 1HD PRO 568 5.903 18.353 2.168 362 HD3 PRO 568 2HD PRO 568 6.336 19.941 1.502 363 H LEU 569 H LEU 569 7.842 16.829 3.172 364 HA LEU 569 HA LEU 569 9.792 15.583 4.683 365 HB2 LEU 569 1HB LEU 569 7.235 15.227 4.592 366 HB3 LEU 569 2HB LEU 569 7.604 14.018 3.364 367 HG LEU 569 HG LEU 569 7.263 13.052 5.608 368 HD11 LEU 569 1HD1 LEU 569 10.135 12.581 5.127 369 HD12 LEU 569 2HD1 LEU 569 9.060 12.328 3.752 370 HD13 LEU 569 3HD1 LEU 569 8.798 11.437 5.251 371 HD21 LEU 569 3HD2 LEU 569 8.791 13.443 7.392 372 HD22 LEU 569 1HD2 LEU 569 8.223 15.017 6.833 373 HD23 LEU 569 2HD2 LEU 569 9.825 14.442 6.369 374 H ILE 570 H ILE 570 8.892 15.021 1.316 375 HA ILE 570 HA ILE 570 10.661 12.795 0.977 376 HB ILE 570 HB ILE 570 9.188 14.523 -1.006 377 HG12 ILE 570 1HG1 ILE 570 8.732 11.599 -0.642 378 HG13 ILE 570 2HG1 ILE 570 8.142 12.684 0.613 379 HG21 ILE 570 1HG2 ILE 570 11.170 13.789 -2.121 380 HG22 ILE 570 2HG2 ILE 570 10.973 12.149 -1.504 381 HG23 ILE 570 3HG2 ILE 570 9.831 12.791 -2.685 382 HD11 ILE 570 3HD1 ILE 570 7.410 13.683 -1.970 383 HD12 ILE 570 1HD1 ILE 570 6.895 12.006 -1.792 384 HD13 ILE 570 2HD1 ILE 570 6.384 13.216 -0.614 385 H GLN 571 H GLN 571 10.873 16.258 0.520 386 HA GLN 571 HA GLN 571 13.158 16.372 -1.090 387 HB2 GLN 571 1HB GLN 571 12.108 18.289 0.992 388 HB3 GLN 571 2HB GLN 571 13.468 18.656 -0.060 389 HG2 GLN 571 1HG GLN 571 12.121 18.645 -1.984 390 HG3 GLN 571 2HG GLN 571 10.783 17.869 -1.138 391 HE21 GLN 571 2HE2 GLN 571 9.783 19.807 -2.293 392 HE22 GLN 571 1HE2 GLN 571 9.654 21.257 -1.362 393 H ALA 572 H ALA 572 12.785 15.454 2.183 394 HA ALA 572 HA ALA 572 15.270 16.164 3.260 395 HB1 ALA 572 3HB ALA 572 14.125 13.583 4.118 396 HB2 ALA 572 1HB ALA 572 14.641 14.973 5.073 397 HB3 ALA 572 2HB ALA 572 13.074 14.992 4.263 398 H MET 573 H MET 573 14.340 13.576 1.117 399 HA MET 573 HA MET 573 17.128 12.620 1.131 400 HB2 MET 573 1HB MET 573 16.218 10.412 0.405 401 HB3 MET 573 2HB MET 573 15.731 10.883 2.028 402 HG2 MET 573 1HG MET 573 13.691 11.877 0.516 403 HG3 MET 573 2HG MET 573 14.121 10.410 -0.360 404 HE1 MET 573 3HE MET 573 11.819 10.925 3.414 405 HE2 MET 573 1HE MET 573 12.452 12.113 2.275 406 HE3 MET 573 2HE MET 573 11.150 11.029 1.785 407 H HIS 574 H HIS 574 14.427 13.720 -0.722 408 HA HIS 574 HA HIS 574 16.111 13.767 -3.111 409 HB2 HIS 574 1HB HIS 574 13.571 12.265 -2.798 410 HB3 HIS 574 2HB HIS 574 13.775 13.163 -4.299 411 HD1 HIS 574 HD1 HIS 574 15.431 12.251 -6.000 412 HD2 HIS 574 HD2 HIS 574 15.419 10.138 -2.423 413 HE1 HIS 574 HE1 HIS 574 16.789 10.180 -6.438 414 HA PRO 575 HA PRO 575 13.860 17.746 -2.296 415 HB2 PRO 575 1HB PRO 575 16.042 19.323 -2.646 416 HB3 PRO 575 2HB PRO 575 15.628 18.586 -1.094 417 HG2 PRO 575 1HG PRO 575 17.617 17.692 -3.145 418 HG3 PRO 575 2HG PRO 575 17.779 17.749 -1.380 419 HD2 PRO 575 1HD PRO 575 17.235 15.460 -2.721 420 HD3 PRO 575 2HD PRO 575 16.621 15.777 -1.086 421 H THR 576 H THR 576 15.495 16.253 -4.845 422 HA THR 576 HA THR 576 15.052 18.434 -6.733 423 HB THR 576 HB THR 576 16.008 16.660 -8.374 424 HG1 THR 576 HG1 THR 576 17.009 15.589 -5.937 425 HG21 THR 576 3HG2 THR 576 17.373 18.292 -6.322 426 HG22 THR 576 1HG2 THR 576 17.516 18.329 -8.079 427 HG23 THR 576 2HG2 THR 576 18.366 17.093 -7.151 428 H LEU 577 H LEU 577 14.292 14.945 -6.639 429 HA LEU 577 HA LEU 577 12.072 15.383 -8.469 430 HB2 LEU 577 1HB LEU 577 13.229 12.875 -7.265 431 HB3 LEU 577 2HB LEU 577 11.868 12.903 -8.385 432 HG LEU 577 HG LEU 577 13.732 12.310 -9.681 433 HD11 LEU 577 1HD1 LEU 577 13.511 13.812 -11.341 434 HD12 LEU 577 2HD1 LEU 577 13.922 15.180 -10.306 435 HD13 LEU 577 3HD1 LEU 577 12.291 14.510 -10.275 436 HD21 LEU 577 3HD2 LEU 577 15.311 13.248 -7.809 437 HD22 LEU 577 1HD2 LEU 577 15.352 14.671 -8.851 438 HD23 LEU 577 2HD2 LEU 577 15.875 13.106 -9.475 439 H ALA 578 H ALA 578 12.264 16.079 -5.440 440 HA ALA 578 HA ALA 578 10.521 14.598 -3.920 441 HB1 ALA 578 3HB ALA 578 10.709 16.266 -2.443 442 HB2 ALA 578 1HB ALA 578 11.819 16.986 -3.610 443 HB3 ALA 578 2HB ALA 578 10.123 17.472 -3.589 444 H GLY 579 H GLY 579 9.783 16.850 -6.503 445 HA2 GLY 579 1HA GLY 579 7.030 17.176 -5.993 446 HA3 GLY 579 2HA GLY 579 7.814 17.391 -7.551 447 H LYS 580 H LYS 580 8.305 15.357 -8.761 448 HA LYS 580 HA LYS 580 6.043 13.927 -9.346 449 HB2 LYS 580 1HB LYS 580 8.934 13.097 -9.625 450 HB3 LYS 580 2HB LYS 580 7.595 12.205 -10.336 451 HG2 LYS 580 1HG LYS 580 6.978 14.211 -11.625 452 HG3 LYS 580 2HG LYS 580 8.380 15.047 -10.952 453 HD2 LYS 580 1HD LYS 580 9.851 13.905 -12.248 454 HD3 LYS 580 2HD LYS 580 8.890 12.424 -12.221 455 HE2 LYS 580 1HE LYS 580 8.858 13.253 -14.453 456 HE3 LYS 580 2HE LYS 580 7.267 13.557 -13.756 457 HZ1 LYS 580 3HZ LYS 580 8.189 15.450 -15.031 458 HZ2 LYS 580 1HZ LYS 580 9.433 15.582 -13.892 459 HZ3 LYS 580 2HZ LYS 580 7.828 15.838 -13.424 460 H ILE 581 H ILE 581 8.569 13.100 -7.014 461 HA ILE 581 HA ILE 581 7.753 10.531 -6.342 462 HB ILE 581 HB ILE 581 8.994 12.641 -4.576 463 HG12 ILE 581 1HG1 ILE 581 10.375 10.249 -5.758 464 HG13 ILE 581 2HG1 ILE 581 10.170 11.719 -6.706 465 HG21 ILE 581 1HG2 ILE 581 9.682 10.729 -3.149 466 HG22 ILE 581 2HG2 ILE 581 7.941 11.005 -3.168 467 HG23 ILE 581 3HG2 ILE 581 8.635 9.686 -4.110 468 HD11 ILE 581 3HD1 ILE 581 11.772 11.291 -4.219 469 HD12 ILE 581 1HD1 ILE 581 12.283 11.936 -5.778 470 HD13 ILE 581 2HD1 ILE 581 11.265 12.906 -4.713 471 H THR 582 H THR 582 6.962 13.524 -4.563 472 HA THR 582 HA THR 582 5.108 12.411 -2.816 473 HB THR 582 HB THR 582 6.133 14.891 -3.092 474 HG1 THR 582 HG1 THR 582 3.885 13.914 -1.687 475 HG21 THR 582 3HG2 THR 582 3.236 15.215 -3.866 476 HG22 THR 582 1HG2 THR 582 4.571 15.328 -5.012 477 HG23 THR 582 2HG2 THR 582 4.449 16.482 -3.683 478 H GLY 583 H GLY 583 4.743 13.454 -6.138 479 HA2 GLY 583 1HA GLY 583 1.933 13.591 -6.242 480 HA3 GLY 583 2HA GLY 583 2.992 13.295 -7.613 481 H MET 584 H MET 584 4.031 10.943 -7.398 482 HA MET 584 HA MET 584 1.902 9.143 -7.817 483 HB2 MET 584 1HB MET 584 4.794 8.449 -7.286 484 HB3 MET 584 2HB MET 584 3.603 7.450 -8.109 485 HG2 MET 584 1HG MET 584 3.585 8.834 -10.000 486 HG3 MET 584 2HG MET 584 4.395 10.147 -9.148 487 HE1 MET 584 3HE MET 584 7.108 10.283 -8.856 488 HE2 MET 584 1HE MET 584 6.653 9.071 -7.659 489 HE3 MET 584 2HE MET 584 8.016 8.775 -8.739 490 H LEU 585 H LEU 585 4.139 9.584 -5.106 491 HA LEU 585 HA LEU 585 3.318 7.391 -3.571 492 HB2 LEU 585 1HB LEU 585 4.719 9.947 -3.046 493 HB3 LEU 585 2HB LEU 585 4.045 9.102 -1.654 494 HG LEU 585 HG LEU 585 5.423 7.186 -2.070 495 HD11 LEU 585 1HD1 LEU 585 7.201 7.663 -4.021 496 HD12 LEU 585 2HD1 LEU 585 5.788 8.471 -4.700 497 HD13 LEU 585 3HD1 LEU 585 5.704 6.763 -4.269 498 HD21 LEU 585 3HD2 LEU 585 6.914 8.330 -0.877 499 HD22 LEU 585 1HD2 LEU 585 6.523 9.840 -1.700 500 HD23 LEU 585 2HD2 LEU 585 7.700 8.731 -2.406 501 H LEU 586 H LEU 586 1.913 10.548 -4.026 502 HA LEU 586 HA LEU 586 0.074 10.270 -1.812 503 HB2 LEU 586 1HB LEU 586 0.739 12.478 -2.233 504 HB3 LEU 586 2HB LEU 586 0.476 12.316 -3.968 505 HG LEU 586 HG LEU 586 -1.887 12.085 -2.180 506 HD11 LEU 586 1HD1 LEU 586 -0.756 13.996 -1.226 507 HD12 LEU 586 2HD1 LEU 586 -2.148 14.534 -2.166 508 HD13 LEU 586 3HD1 LEU 586 -0.521 14.693 -2.830 509 HD21 LEU 586 3HD2 LEU 586 -2.338 13.777 -4.356 510 HD22 LEU 586 1HD2 LEU 586 -2.830 12.092 -4.191 511 HD23 LEU 586 2HD2 LEU 586 -1.299 12.490 -4.969 512 H GLU 587 H GLU 587 0.192 9.377 -5.110 513 HA GLU 587 HA GLU 587 -2.639 9.343 -5.571 514 HB2 GLU 587 1HB GLU 587 -0.858 9.538 -7.359 515 HB3 GLU 587 2HB GLU 587 -0.525 7.830 -7.104 516 HG2 GLU 587 1HG GLU 587 -3.345 8.332 -7.521 517 HG3 GLU 587 2HG GLU 587 -2.358 8.914 -8.861 518 H ILE 588 H ILE 588 -0.199 6.778 -5.139 519 HA ILE 588 HA ILE 588 -1.567 4.504 -5.215 520 HB ILE 588 HB ILE 588 -0.322 3.988 -2.878 521 HG12 ILE 588 1HG1 ILE 588 1.310 6.220 -4.089 522 HG13 ILE 588 2HG1 ILE 588 0.242 6.459 -2.710 523 HG21 ILE 588 1HG2 ILE 588 0.231 3.720 -5.660 524 HG22 ILE 588 2HG2 ILE 588 1.735 4.078 -4.813 525 HG23 ILE 588 3HG2 ILE 588 0.755 2.696 -4.324 526 HD11 ILE 588 3HD1 ILE 588 1.671 4.380 -1.815 527 HD12 ILE 588 1HD1 ILE 588 2.864 5.133 -2.872 528 HD13 ILE 588 2HD1 ILE 588 2.133 6.062 -1.563 529 H ASP 589 H ASP 589 -1.464 6.390 -2.185 530 HA ASP 589 HA ASP 589 -4.179 6.390 -1.654 531 HB2 ASP 589 1HB ASP 589 -3.103 3.794 -1.345 532 HB3 ASP 589 2HB ASP 589 -3.395 4.413 0.278 533 H ASN 590 H ASN 590 -4.007 8.271 -0.598 534 HA ASN 590 HA ASN 590 -1.934 9.160 0.989 535 HB2 ASN 590 1HB ASN 590 -4.844 9.855 0.841 536 HB3 ASN 590 2HB ASN 590 -3.850 10.569 2.107 537 HD21 ASN 590 2HD2 ASN 590 -5.201 11.665 -0.332 538 HD22 ASN 590 1HD2 ASN 590 -3.961 12.537 -1.160 539 H SER 591 H SER 591 -4.866 7.428 1.982 540 HA SER 591 HA SER 591 -4.535 7.498 4.729 541 HB2 SER 591 1HB SER 591 -6.408 6.436 3.175 542 HB3 SER 591 2HB SER 591 -5.499 4.957 3.489 543 HG SER 591 HG SER 591 -7.164 5.339 5.037 544 H GLU 592 H GLU 592 -3.050 5.361 2.352 545 HA GLU 592 HA GLU 592 -1.845 3.593 4.206 546 HB2 GLU 592 1HB GLU 592 -2.195 3.126 1.770 547 HB3 GLU 592 2HB GLU 592 -0.893 4.252 1.416 548 HG2 GLU 592 1HG GLU 592 0.720 2.817 2.076 549 HG3 GLU 592 2HG GLU 592 -0.281 2.094 3.334 550 H LEU 593 H LEU 593 -0.867 6.653 2.807 551 HA LEU 593 HA LEU 593 1.846 6.528 3.675 552 HB2 LEU 593 1HB LEU 593 0.463 9.127 3.244 553 HB3 LEU 593 2HB LEU 593 2.090 8.629 2.785 554 HG LEU 593 HG LEU 593 -0.481 7.856 1.407 555 HD11 LEU 593 1HD1 LEU 593 -0.121 9.520 -0.035 556 HD12 LEU 593 2HD1 LEU 593 1.613 9.210 -0.103 557 HD13 LEU 593 3HD1 LEU 593 0.943 10.188 1.203 558 HD21 LEU 593 3HD2 LEU 593 2.340 7.186 0.592 559 HD22 LEU 593 1HD2 LEU 593 0.840 6.645 -0.161 560 HD23 LEU 593 2HD2 LEU 593 1.276 6.069 1.448 561 H LEU 594 H LEU 594 -1.142 7.748 5.053 562 HA LEU 594 HA LEU 594 -0.056 9.250 7.159 563 HB2 LEU 594 1HB LEU 594 -2.667 8.022 6.534 564 HB3 LEU 594 2HB LEU 594 -2.364 8.381 8.233 565 HG LEU 594 HG LEU 594 -2.294 10.376 5.969 566 HD11 LEU 594 1HD1 LEU 594 -4.490 10.511 6.225 567 HD12 LEU 594 2HD1 LEU 594 -4.236 11.017 7.895 568 HD13 LEU 594 3HD1 LEU 594 -4.453 9.309 7.515 569 HD21 LEU 594 3HD2 LEU 594 -1.471 10.480 8.800 570 HD22 LEU 594 1HD2 LEU 594 -2.436 11.838 8.221 571 HD23 LEU 594 2HD2 LEU 594 -0.920 11.428 7.418 572 H HIS 595 H HIS 595 -0.137 5.886 6.633 573 HA HIS 595 HA HIS 595 0.587 5.398 9.449 574 HB2 HIS 595 1HB HIS 595 -1.521 4.269 8.158 575 HB3 HIS 595 2HB HIS 595 -0.262 3.084 7.824 576 HD1 HIS 595 HD1 HIS 595 -2.483 4.329 10.494 577 HD2 HIS 595 HD2 HIS 595 0.812 1.821 10.157 578 HE1 HIS 595 HE1 HIS 595 -2.386 3.051 12.658 579 H MET 596 H MET 596 1.615 5.345 6.221 580 HA MET 596 HA MET 596 3.686 3.350 6.649 581 HB2 MET 596 1HB MET 596 2.556 3.414 4.482 582 HB3 MET 596 2HB MET 596 3.066 5.080 4.248 583 HG2 MET 596 1HG MET 596 5.342 3.429 4.793 584 HG3 MET 596 2HG MET 596 4.398 2.746 3.471 585 HE1 MET 596 3HE MET 596 3.276 5.891 2.229 586 HE2 MET 596 1HE MET 596 4.293 5.498 0.843 587 HE3 MET 596 2HE MET 596 3.387 4.225 1.661 588 H LEU 597 H LEU 597 3.269 6.724 6.934 589 HA LEU 597 HA LEU 597 5.941 7.552 6.431 590 HB2 LEU 597 1HB LEU 597 5.295 9.652 7.199 591 HB3 LEU 597 2HB LEU 597 3.826 8.976 6.499 592 HG LEU 597 HG LEU 597 3.154 10.060 8.474 593 HD11 LEU 597 1HD1 LEU 597 2.261 8.294 9.825 594 HD12 LEU 597 2HD1 LEU 597 3.487 7.167 9.245 595 HD13 LEU 597 3HD1 LEU 597 2.251 7.770 8.141 596 HD21 LEU 597 3HD2 LEU 597 4.910 8.596 10.331 597 HD22 LEU 597 1HD2 LEU 597 4.358 10.271 10.367 598 HD23 LEU 597 2HD2 LEU 597 5.702 9.808 9.323 599 H GLU 598 H GLU 598 4.665 5.669 8.854 600 HA GLU 598 HA GLU 598 6.434 6.625 10.958 601 HB2 GLU 598 1HB GLU 598 4.549 4.262 10.951 602 HB3 GLU 598 2HB GLU 598 5.380 4.923 12.353 603 HG2 GLU 598 1HG GLU 598 4.030 7.090 11.282 604 HG3 GLU 598 2HG GLU 598 2.905 5.745 11.108 605 H SER 599 H SER 599 6.501 4.416 8.391 606 HA SER 599 HA SER 599 8.547 2.743 9.652 607 HB2 SER 599 1HB SER 599 6.807 1.521 8.486 608 HB3 SER 599 2HB SER 599 7.078 2.462 7.019 609 HG SER 599 HG SER 599 8.199 0.213 7.601 610 HA PRO 600 HA PRO 600 11.653 5.261 7.698 611 HB2 PRO 600 1HB PRO 600 13.773 3.780 8.524 612 HB3 PRO 600 2HB PRO 600 12.910 4.898 9.587 613 HG2 PRO 600 1HG PRO 600 12.647 1.925 9.348 614 HG3 PRO 600 2HG PRO 600 12.698 2.931 10.808 615 HD2 PRO 600 1HD PRO 600 10.384 1.968 9.782 616 HD3 PRO 600 2HD PRO 600 10.479 3.526 10.627 617 H GLU 601 H GLU 601 11.707 1.712 7.469 618 HA GLU 601 HA GLU 601 13.332 1.661 5.128 619 HB2 GLU 601 1HB GLU 601 11.658 -0.380 6.562 620 HB3 GLU 601 2HB GLU 601 12.392 -0.751 5.008 621 HG2 GLU 601 1HG GLU 601 14.097 0.353 7.182 622 HG3 GLU 601 2HG GLU 601 13.605 -1.338 7.248 623 H SER 602 H SER 602 10.015 2.234 5.694 624 HA SER 602 HA SER 602 9.144 1.416 3.056 625 HB2 SER 602 1HB SER 602 7.786 1.434 5.315 626 HB3 SER 602 2HB SER 602 7.464 3.109 4.867 627 HG SER 602 HG SER 602 6.594 0.748 3.690 628 H LEU 603 H LEU 603 9.409 4.483 4.847 629 HA LEU 603 HA LEU 603 8.612 6.232 2.871 630 HB2 LEU 603 1HB LEU 603 8.948 7.208 4.934 631 HB3 LEU 603 2HB LEU 603 10.520 6.442 5.154 632 HG LEU 603 HG LEU 603 11.526 7.999 3.585 633 HD11 LEU 603 1HD1 LEU 603 10.333 9.077 2.063 634 HD12 LEU 603 2HD1 LEU 603 9.441 9.923 3.327 635 HD13 LEU 603 3HD1 LEU 603 8.861 8.369 2.728 636 HD21 LEU 603 3HD2 LEU 603 10.139 8.850 6.021 637 HD22 LEU 603 1HD2 LEU 603 10.590 10.167 4.939 638 HD23 LEU 603 2HD2 LEU 603 11.823 9.058 5.539 639 H ARG 604 H ARG 604 12.018 5.474 3.628 640 HA ARG 604 HA ARG 604 13.145 6.696 1.407 641 HB2 ARG 604 1HB ARG 604 14.101 4.276 2.945 642 HB3 ARG 604 2HB ARG 604 15.079 5.161 1.782 643 HG2 ARG 604 1HG ARG 604 14.551 7.215 3.263 644 HG3 ARG 604 2HG ARG 604 14.126 6.011 4.482 645 HD2 ARG 604 1HD ARG 604 16.444 6.707 4.729 646 HD3 ARG 604 2HD ARG 604 16.348 5.009 4.263 647 HE ARG 604 HE ARG 604 17.418 5.523 2.305 648 HH11 ARG 604 1HH1 ARG 604 16.266 8.457 3.783 649 HH12 ARG 604 2HH1 ARG 604 17.089 9.496 2.668 650 HH21 ARG 604 1HH2 ARG 604 18.507 6.881 0.830 651 HH22 ARG 604 2HH2 ARG 604 18.363 8.599 0.988 652 H SER 605 H SER 605 11.816 3.453 1.764 653 HA SER 605 HA SER 605 12.713 2.368 -0.658 654 HB2 SER 605 1HB SER 605 11.807 0.868 0.949 655 HB3 SER 605 2HB SER 605 10.297 1.773 1.051 656 HG SER 605 HG SER 605 9.834 0.090 -0.253 657 H LYS 606 H LYS 606 9.608 3.932 0.116 658 HA LYS 606 HA LYS 606 8.477 3.795 -2.427 659 HB2 LYS 606 1HB LYS 606 8.108 5.816 -0.215 660 HB3 LYS 606 2HB LYS 606 7.124 5.791 -1.672 661 HG2 LYS 606 1HG LYS 606 7.357 3.531 0.305 662 HG3 LYS 606 2HG LYS 606 6.027 4.690 0.224 663 HD2 LYS 606 1HD LYS 606 6.842 2.787 -1.973 664 HD3 LYS 606 2HD LYS 606 5.464 2.579 -0.891 665 HE2 LYS 606 1HE LYS 606 4.524 4.699 -1.743 666 HE3 LYS 606 2HE LYS 606 5.872 4.817 -2.873 667 HZ1 LYS 606 3HZ LYS 606 4.031 3.886 -4.021 668 HZ2 LYS 606 1HZ LYS 606 3.761 2.734 -2.811 669 HZ3 LYS 606 2HZ LYS 606 5.144 2.635 -3.780 670 H VAL 607 H VAL 607 10.217 6.534 -0.944 671 HA VAL 607 HA VAL 607 10.210 8.262 -3.095 672 HB VAL 607 HB VAL 607 12.434 7.864 -1.089 673 HG11 VAL 607 1HG1 VAL 607 13.567 9.433 -2.174 674 HG12 VAL 607 2HG1 VAL 607 12.296 9.525 -3.395 675 HG13 VAL 607 3HG1 VAL 607 12.220 10.550 -1.961 676 HG21 VAL 607 3HG2 VAL 607 10.596 8.391 0.207 677 HG22 VAL 607 1HG2 VAL 607 11.256 9.989 -0.146 678 HG23 VAL 607 2HG2 VAL 607 9.865 9.390 -1.049 679 H ASP 608 H ASP 608 12.530 5.679 -2.366 680 HA ASP 608 HA ASP 608 14.310 6.155 -4.469 681 HB2 ASP 608 1HB ASP 608 14.579 4.573 -2.473 682 HB3 ASP 608 2HB ASP 608 13.657 3.407 -3.419 683 H GLU 609 H GLU 609 11.663 3.766 -4.320 684 HA GLU 609 HA GLU 609 11.825 2.825 -6.913 685 HB2 GLU 609 1HB GLU 609 9.531 3.108 -4.998 686 HB3 GLU 609 2HB GLU 609 9.262 2.490 -6.621 687 HG2 GLU 609 1HG GLU 609 11.205 1.313 -4.649 688 HG3 GLU 609 2HG GLU 609 9.565 0.727 -4.917 689 H ALA 610 H ALA 610 9.821 5.510 -5.707 690 HA ALA 610 HA ALA 610 8.587 6.253 -8.058 691 HB1 ALA 610 3HB ALA 610 9.196 8.655 -6.749 692 HB2 ALA 610 1HB ALA 610 7.721 7.697 -6.613 693 HB3 ALA 610 2HB ALA 610 9.050 7.435 -5.484 694 H VAL 611 H VAL 611 11.568 7.728 -6.755 695 HA VAL 611 HA VAL 611 12.210 9.339 -8.892 696 HB VAL 611 HB VAL 611 14.149 7.825 -7.137 697 HG11 VAL 611 1HG1 VAL 611 14.606 9.473 -9.399 698 HG12 VAL 611 2HG1 VAL 611 15.128 10.360 -7.966 699 HG13 VAL 611 3HG1 VAL 611 15.789 8.760 -8.303 700 HG21 VAL 611 3HG2 VAL 611 13.671 10.668 -6.631 701 HG22 VAL 611 1HG2 VAL 611 12.269 9.638 -6.343 702 HG23 VAL 611 2HG2 VAL 611 13.786 9.318 -5.502 703 H ALA 612 H ALA 612 12.977 5.914 -8.431 704 HA ALA 612 HA ALA 612 14.617 5.570 -10.675 705 HB1 ALA 612 3HB ALA 612 13.307 3.883 -8.739 706 HB2 ALA 612 1HB ALA 612 13.250 3.164 -10.348 707 HB3 ALA 612 2HB ALA 612 14.800 3.614 -9.637 708 H VAL 613 H VAL 613 11.106 5.380 -10.314 709 HA VAL 613 HA VAL 613 10.547 4.416 -12.909 710 HB VAL 613 HB VAL 613 8.819 6.045 -11.042 711 HG11 VAL 613 1HG1 VAL 613 8.001 6.260 -13.308 712 HG12 VAL 613 2HG1 VAL 613 8.078 4.511 -13.531 713 HG13 VAL 613 3HG1 VAL 613 6.930 5.206 -12.386 714 HG21 VAL 613 3HG2 VAL 613 9.023 4.111 -9.876 715 HG22 VAL 613 1HG2 VAL 613 7.768 3.583 -10.997 716 HG23 VAL 613 2HG2 VAL 613 9.455 3.168 -11.302 717 H LEU 614 H LEU 614 10.820 7.680 -11.579 718 HA LEU 614 HA LEU 614 9.871 9.178 -13.691 719 HB2 LEU 614 1HB LEU 614 12.321 9.928 -12.121 720 HB3 LEU 614 2HB LEU 614 11.123 10.999 -12.843 721 HG LEU 614 HG LEU 614 10.866 9.319 -10.362 722 HD11 LEU 614 1HD1 LEU 614 11.860 11.434 -9.947 723 HD12 LEU 614 2HD1 LEU 614 10.177 11.547 -9.435 724 HD13 LEU 614 3HD1 LEU 614 10.682 12.262 -10.966 725 HD21 LEU 614 3HD2 LEU 614 8.501 10.448 -10.398 726 HD22 LEU 614 1HD2 LEU 614 8.781 8.921 -11.235 727 HD23 LEU 614 2HD2 LEU 614 8.750 10.432 -12.144 728 H GLN 615 H GLN 615 12.868 7.426 -13.416 729 HA GLN 615 HA GLN 615 14.437 8.625 -15.342 730 HB2 GLN 615 1HB GLN 615 15.138 6.743 -13.875 731 HB3 GLN 615 2HB GLN 615 14.182 5.651 -14.867 732 HG2 GLN 615 1HG GLN 615 15.636 5.755 -16.634 733 HG3 GLN 615 2HG GLN 615 16.256 7.339 -16.171 734 HE21 GLN 615 2HE2 GLN 615 18.270 7.285 -15.518 735 HE22 GLN 615 1HE2 GLN 615 19.038 5.995 -14.663 736 H ALA 616 H ALA 616 11.621 6.611 -15.742 737 HA ALA 616 HA ALA 616 11.997 6.013 -18.496 738 HB1 ALA 616 3HB ALA 616 10.463 4.556 -17.744 739 HB2 ALA 616 1HB ALA 616 9.875 5.659 -16.499 740 HB3 ALA 616 2HB ALA 616 9.313 5.826 -18.163 741 H HIS 617 H HIS 617 10.228 8.542 -16.761 742 HA HIS 617 HA HIS 617 9.390 9.771 -19.261 743 HB2 HIS 617 1HB HIS 617 8.630 9.988 -16.428 744 HB3 HIS 617 2HB HIS 617 8.638 11.521 -17.295 745 HD1 HIS 617 HD1 HIS 617 6.127 11.826 -17.410 746 HD2 HIS 617 HD2 HIS 617 7.399 8.191 -18.970 747 HE1 HIS 617 HE1 HIS 617 4.113 10.841 -18.551 748 H GLN 618 H GLN 618 10.728 11.272 -16.328 749 HA GLN 618 HA GLN 618 12.785 12.565 -17.969 750 HB2 GLN 618 1HB GLN 618 11.002 14.030 -16.017 751 HB3 GLN 618 2HB GLN 618 12.336 14.732 -16.923 752 HG2 GLN 618 1HG GLN 618 11.183 14.432 -18.990 753 HG3 GLN 618 2HG GLN 618 9.913 13.497 -18.204 754 HE21 GLN 618 2HE2 GLN 618 9.202 15.595 -19.728 755 HE22 GLN 618 1HE2 GLN 618 8.636 16.899 -18.747 756 H ALA 619 H ALA 619 14.733 12.664 -17.021 757 HA ALA 619 HA ALA 619 14.924 11.746 -14.236 758 HB1 ALA 619 3HB ALA 619 17.167 11.049 -14.735 759 HB2 ALA 619 1HB ALA 619 16.091 10.425 -15.985 760 HB3 ALA 619 2HB ALA 619 17.105 11.830 -16.315 761 H LYS 620 H LYS 620 14.336 13.943 -13.541 762 HA LYS 620 HA LYS 620 14.871 15.955 -12.626 763 HB2 LYS 620 1HB LYS 620 16.921 14.396 -11.979 764 HB3 LYS 620 2HB LYS 620 17.789 15.497 -13.040 765 HG2 LYS 620 1HG LYS 620 17.133 17.384 -11.682 766 HG3 LYS 620 2HG LYS 620 16.149 16.336 -10.657 767 HD2 LYS 620 1HD LYS 620 18.234 16.770 -9.542 768 HD3 LYS 620 2HD LYS 620 18.211 15.082 -10.058 769 HE2 LYS 620 1HE LYS 620 19.737 15.463 -11.778 770 HE3 LYS 620 2HE LYS 620 19.443 17.201 -11.782 771 HZ1 LYS 620 3HZ LYS 620 21.144 15.607 -10.015 772 HZ2 LYS 620 1HZ LYS 620 20.389 16.971 -9.357 773 HZ3 LYS 620 2HZ LYS 620 21.418 17.134 -10.689 774 H GLU 621 H GLU 621 14.496 15.727 -15.494 775 HA GLU 621 HA GLU 621 16.358 17.261 -16.936 776 HB2 GLU 621 1HB GLU 621 14.731 17.372 -18.662 777 HB3 GLU 621 2HB GLU 621 14.523 15.808 -17.887 778 HG2 GLU 621 1HG GLU 621 12.353 16.480 -18.076 779 HG3 GLU 621 2HG GLU 621 12.739 17.085 -16.466 780 H ALA 622 H ALA 622 13.738 18.145 -14.823 781 HA ALA 622 HA ALA 622 14.000 20.969 -15.564 782 HB1 ALA 622 3HB ALA 622 11.917 19.397 -14.109 783 HB2 ALA 622 1HB ALA 622 12.026 21.143 -13.883 784 HB3 ALA 622 2HB ALA 622 11.745 20.477 -15.492 785 H ALA 623 H ALA 623 15.590 21.985 -14.522 786 HA ALA 623 HA ALA 623 15.554 22.163 -11.663 787 HB1 ALA 623 3HB ALA 623 18.004 20.926 -12.907 788 HB2 ALA 623 1HB ALA 623 17.732 21.268 -11.198 789 HB3 ALA 623 2HB ALA 623 16.776 20.030 -12.013 Start of MODEL 20 1 H1 ALA 64 1H ALA 64 0.045 -1.718 -0.056 2 HA ALA 64 HA ALA 64 0.643 0.134 -2.225 3 HB1 ALA 64 3HB ALA 64 2.883 0.144 -0.731 4 HB2 ALA 64 1HB ALA 64 1.475 1.151 -0.394 5 HB3 ALA 64 2HB ALA 64 1.704 -0.366 0.478 6 H PHE 65 H PHE 65 2.083 -0.225 -3.828 7 HA PHE 65 HA PHE 65 3.415 -2.854 -3.864 8 HB2 PHE 65 1HB PHE 65 3.343 -2.559 -6.393 9 HB3 PHE 65 2HB PHE 65 1.801 -2.863 -5.599 10 HD1 PHE 65 HD1 PHE 65 0.195 -1.012 -5.275 11 HD2 PHE 65 HD2 PHE 65 3.758 -0.538 -7.554 12 HE1 PHE 65 HE1 PHE 65 -0.736 1.022 -6.302 13 HE2 PHE 65 HE2 PHE 65 2.833 1.496 -8.584 14 HZ PHE 65 HZ PHE 65 0.584 2.279 -7.957 15 H SER 66 H SER 66 5.536 -2.731 -3.622 16 HA SER 66 HA SER 66 6.925 -0.242 -4.257 17 HB2 SER 66 1HB SER 66 7.840 -2.723 -2.783 18 HB3 SER 66 2HB SER 66 8.837 -1.293 -3.048 19 HG SER 66 HG SER 66 7.810 -0.305 -1.501 20 H ARG 67 H ARG 67 6.331 -3.277 -5.622 21 HA ARG 67 HA ARG 67 8.663 -3.974 -6.913 22 HB2 ARG 67 1HB ARG 67 6.428 -5.188 -6.928 23 HB3 ARG 67 2HB ARG 67 5.950 -4.100 -8.225 24 HG2 ARG 67 1HG ARG 67 8.483 -5.645 -8.489 25 HG3 ARG 67 2HG ARG 67 6.938 -6.457 -8.754 26 HD2 ARG 67 1HD ARG 67 6.410 -4.481 -10.315 27 HD3 ARG 67 2HD ARG 67 8.143 -4.159 -10.259 28 HE ARG 67 HE ARG 67 8.474 -5.943 -11.645 29 HH11 ARG 67 1HH1 ARG 67 5.305 -6.193 -10.227 30 HH12 ARG 67 2HH1 ARG 67 4.835 -7.550 -11.197 31 HH21 ARG 67 1HH2 ARG 67 7.867 -7.729 -12.928 32 HH22 ARG 67 2HH2 ARG 67 6.294 -8.423 -12.733 33 H GLN 68 H GLN 68 6.059 -1.998 -8.352 34 HA GLN 68 HA GLN 68 7.864 -0.092 -9.438 35 HB2 GLN 68 1HB GLN 68 8.450 -1.759 -11.033 36 HB3 GLN 68 2HB GLN 68 6.770 -2.219 -11.273 37 HG2 GLN 68 1HG GLN 68 6.301 -0.316 -12.529 38 HG3 GLN 68 2HG GLN 68 7.731 0.534 -11.946 39 HE21 GLN 68 2HE2 GLN 68 7.027 0.274 -14.650 40 HE22 GLN 68 1HE2 GLN 68 8.243 -0.666 -15.438 41 H LEU 69 H LEU 69 6.811 1.701 -10.275 42 HA LEU 69 HA LEU 69 3.869 1.584 -10.290 43 HB2 LEU 69 1HB LEU 69 3.929 3.931 -9.398 44 HB3 LEU 69 2HB LEU 69 4.415 2.667 -8.269 45 HG LEU 69 HG LEU 69 6.831 3.321 -9.064 46 HD11 LEU 69 1HD1 LEU 69 6.962 5.772 -9.476 47 HD12 LEU 69 2HD1 LEU 69 5.213 5.781 -9.699 48 HD13 LEU 69 3HD1 LEU 69 6.236 4.858 -10.798 49 HD21 LEU 69 3HD2 LEU 69 6.242 5.443 -7.341 50 HD22 LEU 69 1HD2 LEU 69 6.821 3.835 -6.904 51 HD23 LEU 69 2HD2 LEU 69 5.089 4.170 -6.937 52 H ASN 70 H ASN 70 3.159 3.972 -11.170 53 HA ASN 70 HA ASN 70 4.491 4.189 -13.785 54 HB2 ASN 70 1HB ASN 70 2.346 5.093 -14.615 55 HB3 ASN 70 2HB ASN 70 2.165 3.474 -13.944 56 HD21 ASN 70 2HD2 ASN 70 0.824 6.455 -14.062 57 HD22 ASN 70 1HD2 ASN 70 -0.100 6.420 -12.602 58 H VAL 71 H VAL 71 5.195 6.135 -14.528 59 HA VAL 71 HA VAL 71 5.439 8.263 -12.577 60 HB VAL 71 HB VAL 71 7.388 7.655 -13.926 61 HG11 VAL 71 1HG1 VAL 71 7.402 7.475 -16.165 62 HG12 VAL 71 2HG1 VAL 71 5.649 7.367 -15.995 63 HG13 VAL 71 3HG1 VAL 71 6.405 8.912 -16.388 64 HG21 VAL 71 3HG2 VAL 71 6.459 10.408 -14.718 65 HG22 VAL 71 1HG2 VAL 71 7.004 9.999 -13.091 66 HG23 VAL 71 2HG2 VAL 71 8.113 9.856 -14.455 67 H ASN 72 H ASN 72 3.393 7.470 -15.185 68 HA ASN 72 HA ASN 72 2.715 10.092 -16.045 69 HB2 ASN 72 1HB ASN 72 1.586 7.359 -16.422 70 HB3 ASN 72 2HB ASN 72 0.544 8.734 -16.775 71 HD21 ASN 72 2HD2 ASN 72 3.985 8.018 -17.273 72 HD22 ASN 72 1HD2 ASN 72 3.991 8.388 -18.961 73 H ALA 73 H ALA 73 1.901 8.243 -13.291 74 HA ALA 73 HA ALA 73 -0.653 9.049 -12.641 75 HB1 ALA 73 3HB ALA 73 1.255 7.607 -11.382 76 HB2 ALA 73 1HB ALA 73 1.240 9.065 -10.390 77 HB3 ALA 73 2HB ALA 73 -0.245 8.141 -10.623 78 H LYS 74 H LYS 74 -1.572 10.952 -12.276 79 HA LYS 74 HA LYS 74 -0.325 13.401 -12.510 80 HB2 LYS 74 1HB LYS 74 -2.922 12.484 -11.390 81 HB3 LYS 74 2HB LYS 74 -2.415 14.123 -11.004 82 HG2 LYS 74 1HG LYS 74 -1.990 14.183 -13.630 83 HG3 LYS 74 2HG LYS 74 -3.253 12.951 -13.587 84 HD2 LYS 74 1HD LYS 74 -4.748 14.452 -12.444 85 HD3 LYS 74 2HD LYS 74 -3.474 15.662 -12.281 86 HE2 LYS 74 1HE LYS 74 -3.455 16.089 -14.607 87 HE3 LYS 74 2HE LYS 74 -4.423 14.657 -14.953 88 HZ1 LYS 74 3HZ LYS 74 -6.097 15.943 -13.380 89 HZ2 LYS 74 1HZ LYS 74 -6.041 16.215 -15.049 90 HZ3 LYS 74 2HZ LYS 74 -5.261 17.280 -13.992 91 HA PRO 75 HA PRO 75 1.678 14.346 -8.723 92 HB2 PRO 75 1HB PRO 75 1.087 16.974 -8.383 93 HB3 PRO 75 2HB PRO 75 2.208 16.394 -9.620 94 HG2 PRO 75 1HG PRO 75 -0.671 17.168 -9.887 95 HG3 PRO 75 2HG PRO 75 0.693 17.547 -10.955 96 HD2 PRO 75 1HD PRO 75 -1.078 15.572 -11.497 97 HD3 PRO 75 2HD PRO 75 0.629 15.481 -11.976 98 H PHE 76 H PHE 76 -0.773 16.743 -8.146 99 HA PHE 76 HA PHE 76 -2.483 15.213 -6.495 100 HB2 PHE 76 1HB PHE 76 -1.798 15.953 -4.299 101 HB3 PHE 76 2HB PHE 76 -0.430 15.168 -5.081 102 HD1 PHE 76 HD1 PHE 76 1.174 16.794 -6.384 103 HD2 PHE 76 HD2 PHE 76 -1.465 17.972 -3.259 104 HE1 PHE 76 HE1 PHE 76 2.554 18.790 -5.975 105 HE2 PHE 76 HE2 PHE 76 -0.090 19.970 -2.846 106 HZ PHE 76 HZ PHE 76 1.922 20.382 -4.205 107 H VAL 77 H VAL 77 -3.342 17.068 -4.676 108 HA VAL 77 HA VAL 77 -4.256 19.255 -6.424 109 HB VAL 77 HB VAL 77 -5.607 18.063 -3.998 110 HG11 VAL 77 1HG1 VAL 77 -6.478 20.146 -3.883 111 HG12 VAL 77 2HG1 VAL 77 -6.093 20.518 -5.565 112 HG13 VAL 77 3HG1 VAL 77 -7.512 19.543 -5.178 113 HG21 VAL 77 3HG2 VAL 77 -7.292 17.294 -5.622 114 HG22 VAL 77 1HG2 VAL 77 -6.285 17.907 -6.934 115 HG23 VAL 77 2HG2 VAL 77 -5.705 16.585 -5.920 116 HA PRO 78 HA PRO 78 -1.625 21.363 -3.291 117 HB2 PRO 78 1HB PRO 78 -0.745 23.272 -5.010 118 HB3 PRO 78 2HB PRO 78 0.012 21.681 -4.872 119 HG2 PRO 78 1HG PRO 78 -1.954 22.674 -6.899 120 HG3 PRO 78 2HG PRO 78 -0.497 21.692 -7.141 121 HD2 PRO 78 1HD PRO 78 -2.983 20.621 -7.086 122 HD3 PRO 78 2HD PRO 78 -1.552 19.744 -6.507 123 H ASN 79 H ASN 79 -1.545 23.834 -2.865 124 HA ASN 79 HA ASN 79 -4.312 24.785 -2.891 125 HB2 ASN 79 1HB ASN 79 -2.913 24.595 -0.750 126 HB3 ASN 79 2HB ASN 79 -2.030 26.000 -1.340 127 HD21 ASN 79 2HD2 ASN 79 -5.440 25.020 -1.174 128 HD22 ASN 79 1HD2 ASN 79 -5.999 26.484 -0.446 129 H VAL 80 H VAL 80 -3.995 25.304 -5.226 130 HA VAL 80 HA VAL 80 -3.225 28.098 -5.474 131 HB VAL 80 HB VAL 80 -1.173 26.881 -6.080 132 HG11 VAL 80 1HG1 VAL 80 -2.814 24.989 -7.127 133 HG12 VAL 80 2HG1 VAL 80 -2.274 25.821 -8.587 134 HG13 VAL 80 3HG1 VAL 80 -1.092 25.124 -7.479 135 HG21 VAL 80 3HG2 VAL 80 -0.678 28.255 -7.832 136 HG22 VAL 80 1HG2 VAL 80 -2.176 27.886 -8.687 137 HG23 VAL 80 2HG2 VAL 80 -2.193 28.996 -7.316 138 H HIS 81 H HIS 81 -4.520 29.196 -6.840 139 HA HIS 81 HA HIS 81 -6.936 28.181 -7.708 140 HB2 HIS 81 1HB HIS 81 -5.357 30.536 -8.751 141 HB3 HIS 81 2HB HIS 81 -7.022 30.198 -9.213 142 HD1 HIS 81 HD1 HIS 81 -5.026 31.885 -6.684 143 HD2 HIS 81 HD2 HIS 81 -8.861 30.309 -6.937 144 HE1 HIS 81 HE1 HIS 81 -6.299 32.902 -4.768 145 H ALA 82 H ALA 82 -3.908 28.510 -9.513 146 HA ALA 82 HA ALA 82 -5.109 26.947 -11.702 147 HB1 ALA 82 3HB ALA 82 -3.841 28.078 -13.219 148 HB2 ALA 82 1HB ALA 82 -3.987 29.330 -11.985 149 HB3 ALA 82 2HB ALA 82 -2.522 28.352 -12.081 150 H1 GLY 541 1H GLY 541 7.839 23.231 13.337 151 HA2 GLY 541 1HA GLY 541 7.574 23.900 15.516 152 HA3 GLY 541 2HA GLY 541 5.953 24.387 15.047 153 H GLN 542 H GLN 542 7.806 21.445 15.820 154 HA GLN 542 HA GLN 542 7.096 19.449 16.719 155 HB2 GLN 542 1HB GLN 542 6.263 19.716 19.002 156 HB3 GLN 542 2HB GLN 542 7.574 20.841 18.676 157 HG2 GLN 542 1HG GLN 542 5.994 22.648 18.381 158 HG3 GLN 542 2HG GLN 542 4.646 21.534 18.604 159 HE21 GLN 542 2HE2 GLN 542 5.177 23.882 20.124 160 HE22 GLN 542 1HE2 GLN 542 5.443 23.392 21.758 161 H GLU 543 H GLU 543 5.391 20.158 14.648 162 HA GLU 543 HA GLU 543 2.874 19.010 15.619 163 HB2 GLU 543 1HB GLU 543 3.225 21.571 14.114 164 HB3 GLU 543 2HB GLU 543 1.797 20.592 13.812 165 HG2 GLU 543 1HG GLU 543 1.325 20.655 16.258 166 HG3 GLU 543 2HG GLU 543 2.657 21.796 16.429 167 HA PRO 544 HA PRO 544 4.574 16.834 11.881 168 HB2 PRO 544 1HB PRO 544 4.256 14.337 12.900 169 HB3 PRO 544 2HB PRO 544 5.702 15.314 13.183 170 HG2 PRO 544 1HG PRO 544 3.332 14.879 14.960 171 HG3 PRO 544 2HG PRO 544 5.055 14.900 15.378 172 HD2 PRO 544 1HD PRO 544 3.424 17.018 15.811 173 HD3 PRO 544 2HD PRO 544 5.146 17.203 15.418 174 H LEU 545 H LEU 545 3.435 15.549 10.369 175 HA LEU 545 HA LEU 545 0.577 15.871 10.491 176 HB2 LEU 545 1HB LEU 545 1.964 16.182 8.428 177 HB3 LEU 545 2HB LEU 545 2.205 14.436 8.402 178 HG LEU 545 HG LEU 545 -0.365 14.296 8.308 179 HD11 LEU 545 1HD1 LEU 545 -0.589 16.756 6.853 180 HD12 LEU 545 2HD1 LEU 545 -0.081 17.076 8.511 181 HD13 LEU 545 3HD1 LEU 545 -1.557 16.161 8.202 182 HD21 LEU 545 3HD2 LEU 545 0.825 15.508 5.848 183 HD22 LEU 545 1HD2 LEU 545 -0.273 14.137 6.005 184 HD23 LEU 545 2HD2 LEU 545 1.424 13.962 6.454 185 H THR 546 H THR 546 -0.962 14.324 10.747 186 HA THR 546 HA THR 546 -0.166 11.522 10.934 187 HB THR 546 HB THR 546 -1.100 11.147 13.090 188 HG1 THR 546 HG1 THR 546 -2.100 12.871 14.255 189 HG21 THR 546 3HG2 THR 546 0.382 12.331 14.497 190 HG22 THR 546 1HG2 THR 546 0.411 13.729 13.423 191 HG23 THR 546 2HG2 THR 546 1.199 12.228 12.938 192 H ALA 547 H ALA 547 -2.307 10.231 11.591 193 HA ALA 547 HA ALA 547 -4.090 10.559 9.430 194 HB1 ALA 547 3HB ALA 547 -3.828 8.743 11.724 195 HB2 ALA 547 1HB ALA 547 -5.470 8.945 11.111 196 HB3 ALA 547 2HB ALA 547 -4.186 8.396 10.032 197 H SER 548 H SER 548 -4.102 11.748 12.700 198 HA SER 548 HA SER 548 -6.849 12.359 12.920 199 HB2 SER 548 1HB SER 548 -6.305 13.417 14.905 200 HB3 SER 548 2HB SER 548 -4.911 12.354 14.712 201 HG SER 548 HG SER 548 -4.163 14.404 15.164 202 H MET 549 H MET 549 -4.189 13.960 11.357 203 HA MET 549 HA MET 549 -5.229 16.554 11.163 204 HB2 MET 549 1HB MET 549 -3.342 14.998 9.403 205 HB3 MET 549 2HB MET 549 -3.763 16.673 9.076 206 HG2 MET 549 1HG MET 549 -2.679 15.840 11.738 207 HG3 MET 549 2HG MET 549 -1.612 16.175 10.376 208 HE1 MET 549 3HE MET 549 -0.925 19.739 10.869 209 HE2 MET 549 1HE MET 549 -0.296 18.101 11.051 210 HE3 MET 549 2HE MET 549 -1.018 18.602 9.523 211 H LEU 550 H LEU 550 -5.487 13.809 8.914 212 HA LEU 550 HA LEU 550 -7.358 15.265 7.246 213 HB2 LEU 550 1HB LEU 550 -6.756 12.356 6.935 214 HB3 LEU 550 2HB LEU 550 -7.142 13.554 5.701 215 HG LEU 550 HG LEU 550 -4.521 13.184 7.142 216 HD11 LEU 550 1HD1 LEU 550 -3.728 12.262 5.240 217 HD12 LEU 550 2HD1 LEU 550 -4.742 13.261 4.200 218 HD13 LEU 550 3HD1 LEU 550 -5.425 11.847 5.002 219 HD21 LEU 550 3HD2 LEU 550 -5.545 15.441 5.463 220 HD22 LEU 550 1HD2 LEU 550 -3.829 15.036 5.477 221 HD23 LEU 550 2HD2 LEU 550 -4.639 15.495 6.975 222 H ALA 551 H ALA 551 -7.440 13.049 9.868 223 HA ALA 551 HA ALA 551 -9.801 11.672 9.509 224 HB1 ALA 551 3HB ALA 551 -8.316 11.255 11.383 225 HB2 ALA 551 1HB ALA 551 -8.720 12.826 12.077 226 HB3 ALA 551 2HB ALA 551 -9.953 11.571 11.959 227 H SER 552 H SER 552 -9.397 14.874 11.022 228 HA SER 552 HA SER 552 -12.288 15.266 10.963 229 HB2 SER 552 1HB SER 552 -10.841 15.849 12.982 230 HB3 SER 552 2HB SER 552 -10.227 17.200 12.027 231 HG SER 552 HG SER 552 -12.528 17.771 11.767 232 H ALA 553 H ALA 553 -11.130 15.140 8.443 233 HA ALA 553 HA ALA 553 -11.747 17.815 7.459 234 HB1 ALA 553 3HB ALA 553 -9.546 18.261 7.284 235 HB2 ALA 553 1HB ALA 553 -9.088 16.558 7.326 236 HB3 ALA 553 2HB ALA 553 -9.671 17.279 5.825 237 HA PRO 554 HA PRO 554 -13.787 15.707 4.196 238 HB2 PRO 554 1HB PRO 554 -13.335 17.336 2.071 239 HB3 PRO 554 2HB PRO 554 -14.428 17.763 3.394 240 HG2 PRO 554 1HG PRO 554 -11.594 18.610 2.928 241 HG3 PRO 554 2HG PRO 554 -12.980 19.581 3.461 242 HD2 PRO 554 1HD PRO 554 -11.107 18.648 5.180 243 HD3 PRO 554 2HD PRO 554 -12.809 18.857 5.642 244 HA PRO 555 HA PRO 555 -11.115 13.188 1.777 245 HB2 PRO 555 1HB PRO 555 -12.508 12.862 -0.531 246 HB3 PRO 555 2HB PRO 555 -12.982 12.102 0.993 247 HG2 PRO 555 1HG PRO 555 -14.046 14.585 -0.297 248 HG3 PRO 555 2HG PRO 555 -14.931 13.270 0.499 249 HD2 PRO 555 1HD PRO 555 -14.409 15.627 1.725 250 HD3 PRO 555 2HD PRO 555 -14.501 14.091 2.610 251 H GLN 556 H GLN 556 -11.803 16.356 0.818 252 HA GLN 556 HA GLN 556 -10.063 16.257 -1.526 253 HB2 GLN 556 1HB GLN 556 -11.604 18.591 -0.379 254 HB3 GLN 556 2HB GLN 556 -10.770 18.554 -1.927 255 HG2 GLN 556 1HG GLN 556 -12.347 16.538 -2.410 256 HG3 GLN 556 2HG GLN 556 -13.316 17.238 -1.115 257 HE21 GLN 556 2HE2 GLN 556 -14.931 18.341 -1.942 258 HE22 GLN 556 1HE2 GLN 556 -14.852 19.403 -3.302 259 H GLU 557 H GLU 557 -10.308 17.946 1.592 260 HA GLU 557 HA GLU 557 -7.898 19.374 1.386 261 HB2 GLU 557 1HB GLU 557 -9.719 18.596 3.608 262 HB3 GLU 557 2HB GLU 557 -8.105 19.147 4.035 263 HG2 GLU 557 1HG GLU 557 -9.741 20.959 4.079 264 HG3 GLU 557 2HG GLU 557 -8.474 21.240 2.886 265 H GLN 558 H GLN 558 -8.549 16.065 2.104 266 HA GLN 558 HA GLN 558 -6.365 15.316 3.626 267 HB2 GLN 558 1HB GLN 558 -7.683 13.767 1.389 268 HB3 GLN 558 2HB GLN 558 -6.622 13.078 2.610 269 HG2 GLN 558 1HG GLN 558 -8.555 14.417 4.071 270 HG3 GLN 558 2HG GLN 558 -9.444 13.686 2.736 271 HE21 GLN 558 2HE2 GLN 558 -9.572 13.025 5.537 272 HE22 GLN 558 1HE2 GLN 558 -9.112 11.366 5.679 273 H LYS 559 H LYS 559 -6.501 14.685 0.126 274 HA LYS 559 HA LYS 559 -3.808 14.257 -0.265 275 HB2 LYS 559 1HB LYS 559 -4.224 14.880 -2.645 276 HB3 LYS 559 2HB LYS 559 -5.392 13.736 -1.996 277 HG2 LYS 559 1HG LYS 559 -6.873 15.761 -1.546 278 HG3 LYS 559 2HG LYS 559 -5.765 16.650 -2.594 279 HD2 LYS 559 1HD LYS 559 -6.316 15.360 -4.466 280 HD3 LYS 559 2HD LYS 559 -7.020 14.074 -3.483 281 HE2 LYS 559 1HE LYS 559 -8.905 15.443 -2.930 282 HE3 LYS 559 2HE LYS 559 -8.164 16.855 -3.683 283 HZ1 LYS 559 3HZ LYS 559 -8.200 15.033 -5.686 284 HZ2 LYS 559 1HZ LYS 559 -9.335 16.269 -5.468 285 HZ3 LYS 559 2HZ LYS 559 -9.655 14.715 -4.883 286 H GLN 560 H GLN 560 -5.537 17.290 -0.028 287 HA GLN 560 HA GLN 560 -3.527 18.980 -1.052 288 HB2 GLN 560 1HB GLN 560 -5.816 19.448 0.849 289 HB3 GLN 560 2HB GLN 560 -4.722 20.739 0.369 290 HG2 GLN 560 1HG GLN 560 -5.511 20.807 -1.772 291 HG3 GLN 560 2HG GLN 560 -6.011 19.116 -1.758 292 HE21 GLN 560 2HE2 GLN 560 -8.089 19.341 -2.373 293 HE22 GLN 560 1HE2 GLN 560 -9.283 20.208 -1.476 294 H MET 561 H MET 561 -4.499 18.790 2.370 295 HA MET 561 HA MET 561 -2.211 19.951 3.415 296 HB2 MET 561 1HB MET 561 -3.920 17.841 4.742 297 HB3 MET 561 2HB MET 561 -2.863 18.985 5.557 298 HG2 MET 561 1HG MET 561 -4.243 20.823 4.917 299 HG3 MET 561 2HG MET 561 -5.218 19.792 3.873 300 HE1 MET 561 3HE MET 561 -7.463 17.959 5.512 301 HE2 MET 561 1HE MET 561 -5.901 17.545 4.806 302 HE3 MET 561 2HE MET 561 -6.227 17.179 6.500 303 H LEU 562 H LEU 562 -2.953 16.466 3.228 304 HA LEU 562 HA LEU 562 -0.586 15.467 4.222 305 HB2 LEU 562 1HB LEU 562 -2.592 14.137 3.655 306 HB3 LEU 562 2HB LEU 562 -2.189 14.307 1.947 307 HG LEU 562 HG LEU 562 -0.096 13.130 3.672 308 HD11 LEU 562 1HD1 LEU 562 -2.808 12.018 3.467 309 HD12 LEU 562 2HD1 LEU 562 -1.539 11.713 4.652 310 HD13 LEU 562 3HD1 LEU 562 -1.500 10.896 3.090 311 HD21 LEU 562 3HD2 LEU 562 -0.855 13.237 0.900 312 HD22 LEU 562 1HD2 LEU 562 -0.654 11.565 1.423 313 HD23 LEU 562 2HD2 LEU 562 0.666 12.717 1.628 314 H GLY 563 H GLY 563 -1.338 15.870 0.751 315 HA2 GLY 563 1HA GLY 563 1.176 15.278 -0.253 316 HA3 GLY 563 2HA GLY 563 0.022 16.348 -1.036 317 H GLU 564 H GLU 564 -0.084 18.445 0.755 318 HA GLU 564 HA GLU 564 2.106 19.991 0.001 319 HB2 GLU 564 1HB GLU 564 0.112 20.329 2.239 320 HB3 GLU 564 2HB GLU 564 1.330 21.540 1.862 321 HG2 GLU 564 1HG GLU 564 0.297 22.195 -0.045 322 HG3 GLU 564 2HG GLU 564 -0.367 20.595 -0.369 323 H ARG 565 H ARG 565 1.453 18.376 3.098 324 HA ARG 565 HA ARG 565 3.892 19.210 4.307 325 HB2 ARG 565 1HB ARG 565 2.078 16.907 5.050 326 HB3 ARG 565 2HB ARG 565 3.332 17.602 6.069 327 HG2 ARG 565 1HG ARG 565 1.357 19.530 5.086 328 HG3 ARG 565 2HG ARG 565 0.708 18.280 6.150 329 HD2 ARG 565 1HD ARG 565 1.361 19.702 7.774 330 HD3 ARG 565 2HD ARG 565 2.933 18.948 7.509 331 HE ARG 565 HE ARG 565 2.610 21.146 5.768 332 HH11 ARG 565 1HH1 ARG 565 3.159 20.387 9.121 333 HH12 ARG 565 2HH1 ARG 565 4.004 21.863 9.452 334 HH21 ARG 565 1HH2 ARG 565 3.721 23.093 6.191 335 HH22 ARG 565 2HH2 ARG 565 4.322 23.402 7.785 336 H LEU 566 H LEU 566 2.973 16.564 2.262 337 HA LEU 566 HA LEU 566 5.222 14.901 2.876 338 HB2 LEU 566 1HB LEU 566 2.856 14.756 1.254 339 HB3 LEU 566 2HB LEU 566 4.262 14.252 0.318 340 HG LEU 566 HG LEU 566 4.780 12.633 2.181 341 HD11 LEU 566 1HD1 LEU 566 3.529 13.598 3.977 342 HD12 LEU 566 2HD1 LEU 566 2.839 12.017 3.613 343 HD13 LEU 566 3HD1 LEU 566 2.027 13.482 3.061 344 HD21 LEU 566 3HD2 LEU 566 2.607 12.515 0.218 345 HD22 LEU 566 1HD2 LEU 566 2.490 11.323 1.513 346 HD23 LEU 566 2HD2 LEU 566 3.940 11.396 0.510 347 H PHE 567 H PHE 567 4.583 17.517 0.687 348 HA PHE 567 HA PHE 567 6.427 17.155 -1.313 349 HB2 PHE 567 1HB PHE 567 4.848 19.266 -0.403 350 HB3 PHE 567 2HB PHE 567 6.491 19.897 -0.354 351 HD1 PHE 567 HD1 PHE 567 7.686 18.479 -2.658 352 HD2 PHE 567 HD2 PHE 567 3.895 20.362 -2.216 353 HE1 PHE 567 HE1 PHE 567 7.606 18.878 -5.085 354 HE2 PHE 567 HE2 PHE 567 3.808 20.763 -4.642 355 HZ PHE 567 HZ PHE 567 5.664 20.021 -6.080 356 HA PRO 568 HA PRO 568 9.872 19.177 1.409 357 HB2 PRO 568 1HB PRO 568 9.338 19.498 4.051 358 HB3 PRO 568 2HB PRO 568 8.970 20.732 2.840 359 HG2 PRO 568 1HG PRO 568 7.154 18.712 4.099 360 HG3 PRO 568 2HG PRO 568 6.858 20.428 3.765 361 HD2 PRO 568 1HD PRO 568 5.912 18.450 2.176 362 HD3 PRO 568 2HD PRO 568 6.378 20.042 1.543 363 H LEU 569 H LEU 569 7.815 16.855 3.130 364 HA LEU 569 HA LEU 569 9.708 15.545 4.649 365 HB2 LEU 569 1HB LEU 569 7.144 15.212 4.447 366 HB3 LEU 569 2HB LEU 569 7.566 14.017 3.222 367 HG LEU 569 HG LEU 569 7.132 13.013 5.426 368 HD11 LEU 569 1HD1 LEU 569 9.079 12.374 3.662 369 HD12 LEU 569 2HD1 LEU 569 8.672 11.415 5.085 370 HD13 LEU 569 3HD1 LEU 569 10.019 12.551 5.144 371 HD21 LEU 569 3HD2 LEU 569 8.387 13.469 7.327 372 HD22 LEU 569 1HD2 LEU 569 8.124 15.067 6.629 373 HD23 LEU 569 2HD2 LEU 569 9.674 14.254 6.411 374 H ILE 570 H ILE 570 8.855 15.012 1.255 375 HA ILE 570 HA ILE 570 10.681 12.831 0.922 376 HB ILE 570 HB ILE 570 9.129 14.509 -1.038 377 HG12 ILE 570 1HG1 ILE 570 8.839 11.566 -0.832 378 HG13 ILE 570 2HG1 ILE 570 8.277 12.501 0.549 379 HG21 ILE 570 1HG2 ILE 570 9.877 12.858 -2.760 380 HG22 ILE 570 2HG2 ILE 570 11.143 13.942 -2.184 381 HG23 ILE 570 3HG2 ILE 570 11.073 12.279 -1.601 382 HD11 ILE 570 3HD1 ILE 570 6.688 11.903 -1.454 383 HD12 ILE 570 1HD1 ILE 570 6.569 13.450 -0.617 384 HD13 ILE 570 2HD1 ILE 570 7.415 13.346 -2.161 385 H GLN 571 H GLN 571 10.790 16.299 0.423 386 HA GLN 571 HA GLN 571 13.070 16.483 -1.170 387 HB2 GLN 571 1HB GLN 571 11.966 18.349 0.929 388 HB3 GLN 571 2HB GLN 571 13.335 18.762 -0.095 389 HG2 GLN 571 1HG GLN 571 12.027 18.786 -2.033 390 HG3 GLN 571 2HG GLN 571 10.706 17.916 -1.255 391 HE21 GLN 571 2HE2 GLN 571 12.588 20.796 -0.388 392 HE22 GLN 571 1HE2 GLN 571 11.223 21.833 -0.173 393 H ALA 572 H ALA 572 12.737 15.548 2.107 394 HA ALA 572 HA ALA 572 15.160 16.304 3.231 395 HB1 ALA 572 3HB ALA 572 13.299 15.258 4.469 396 HB2 ALA 572 1HB ALA 572 13.696 13.713 3.717 397 HB3 ALA 572 2HB ALA 572 14.853 14.491 4.798 398 H MET 573 H MET 573 14.481 13.893 0.835 399 HA MET 573 HA MET 573 17.330 13.148 0.833 400 HB2 MET 573 1HB MET 573 16.340 10.934 -0.212 401 HB3 MET 573 2HB MET 573 16.456 11.144 1.530 402 HG2 MET 573 1HG MET 573 13.956 12.067 0.268 403 HG3 MET 573 2HG MET 573 14.239 10.327 0.278 404 HE1 MET 573 3HE MET 573 11.642 11.701 2.841 405 HE2 MET 573 1HE MET 573 11.920 11.067 1.219 406 HE3 MET 573 2HE MET 573 11.893 9.971 2.601 407 H HIS 574 H HIS 574 14.367 13.503 -1.064 408 HA HIS 574 HA HIS 574 16.044 13.934 -3.449 409 HB2 HIS 574 1HB HIS 574 13.532 12.369 -3.092 410 HB3 HIS 574 2HB HIS 574 13.759 13.227 -4.613 411 HD1 HIS 574 HD1 HIS 574 15.724 12.435 -6.136 412 HD2 HIS 574 HD2 HIS 574 15.118 10.115 -2.742 413 HE1 HIS 574 HE1 HIS 574 17.037 10.325 -6.520 414 HA PRO 575 HA PRO 575 13.664 17.806 -2.516 415 HB2 PRO 575 1HB PRO 575 15.758 19.475 -2.962 416 HB3 PRO 575 2HB PRO 575 15.452 18.714 -1.396 417 HG2 PRO 575 1HG PRO 575 17.374 17.914 -3.548 418 HG3 PRO 575 2HG PRO 575 17.620 17.970 -1.792 419 HD2 PRO 575 1HD PRO 575 17.107 15.666 -3.120 420 HD3 PRO 575 2HD PRO 575 16.562 15.950 -1.454 421 H THR 576 H THR 576 15.236 16.395 -5.151 422 HA THR 576 HA THR 576 14.572 18.561 -6.997 423 HB THR 576 HB THR 576 15.591 16.877 -8.694 424 HG1 THR 576 HG1 THR 576 16.768 15.872 -6.307 425 HG21 THR 576 3HG2 THR 576 17.950 17.486 -7.457 426 HG22 THR 576 1HG2 THR 576 16.853 18.670 -6.747 427 HG23 THR 576 2HG2 THR 576 17.044 18.583 -8.499 428 H LEU 577 H LEU 577 13.978 15.057 -6.696 429 HA LEU 577 HA LEU 577 11.757 15.257 -8.567 430 HB2 LEU 577 1HB LEU 577 12.964 12.895 -7.135 431 HB3 LEU 577 2HB LEU 577 11.638 12.795 -8.291 432 HG LEU 577 HG LEU 577 13.549 12.153 -9.486 433 HD11 LEU 577 1HD1 LEU 577 13.658 14.992 -10.293 434 HD12 LEU 577 2HD1 LEU 577 12.074 14.219 -10.323 435 HD13 LEU 577 3HD1 LEU 577 13.403 13.542 -11.263 436 HD21 LEU 577 3HD2 LEU 577 15.220 14.506 -9.081 437 HD22 LEU 577 1HD2 LEU 577 15.639 12.794 -9.032 438 HD23 LEU 577 2HD2 LEU 577 14.958 13.575 -7.606 439 H ALA 578 H ALA 578 11.939 16.182 -5.579 440 HA ALA 578 HA ALA 578 10.185 14.769 -3.990 441 HB1 ALA 578 3HB ALA 578 10.064 16.634 -2.636 442 HB2 ALA 578 1HB ALA 578 11.564 16.922 -3.519 443 HB3 ALA 578 2HB ALA 578 10.084 17.755 -3.998 444 H GLY 579 H GLY 579 9.482 16.934 -6.660 445 HA2 GLY 579 1HA GLY 579 6.716 17.260 -6.167 446 HA3 GLY 579 2HA GLY 579 7.517 17.484 -7.714 447 H LYS 580 H LYS 580 8.323 15.180 -8.580 448 HA LYS 580 HA LYS 580 5.990 13.800 -9.322 449 HB2 LYS 580 1HB LYS 580 8.920 13.157 -9.570 450 HB3 LYS 580 2HB LYS 580 7.684 12.045 -10.144 451 HG2 LYS 580 1HG LYS 580 6.799 14.136 -11.425 452 HG3 LYS 580 2HG LYS 580 8.441 14.736 -11.177 453 HD2 LYS 580 1HD LYS 580 9.337 12.732 -12.255 454 HD3 LYS 580 2HD LYS 580 7.698 12.120 -12.489 455 HE2 LYS 580 1HE LYS 580 8.969 14.545 -13.741 456 HE3 LYS 580 2HE LYS 580 8.386 13.089 -14.548 457 HZ1 LYS 580 3HZ LYS 580 6.130 13.775 -13.558 458 HZ2 LYS 580 1HZ LYS 580 6.704 14.604 -14.917 459 HZ3 LYS 580 2HZ LYS 580 6.832 15.304 -13.382 460 H ILE 581 H ILE 581 8.460 13.107 -6.895 461 HA ILE 581 HA ILE 581 7.663 10.525 -6.194 462 HB ILE 581 HB ILE 581 8.898 12.674 -4.472 463 HG12 ILE 581 1HG1 ILE 581 10.263 10.253 -5.622 464 HG13 ILE 581 2HG1 ILE 581 10.096 11.731 -6.563 465 HG21 ILE 581 1HG2 ILE 581 8.540 9.730 -3.938 466 HG22 ILE 581 2HG2 ILE 581 9.577 10.800 -2.995 467 HG23 ILE 581 3HG2 ILE 581 7.834 11.069 -3.033 468 HD11 ILE 581 3HD1 ILE 581 11.636 11.284 -4.035 469 HD12 ILE 581 1HD1 ILE 581 12.213 11.863 -5.597 470 HD13 ILE 581 2HD1 ILE 581 11.203 12.901 -4.590 471 H THR 582 H THR 582 6.894 13.534 -4.433 472 HA THR 582 HA THR 582 5.002 12.434 -2.712 473 HB THR 582 HB THR 582 6.043 14.739 -2.554 474 HG1 THR 582 HG1 THR 582 4.176 15.561 -1.512 475 HG21 THR 582 3HG2 THR 582 4.844 16.580 -3.630 476 HG22 THR 582 1HG2 THR 582 3.809 15.425 -4.468 477 HG23 THR 582 2HG2 THR 582 5.533 15.489 -4.831 478 H GLY 583 H GLY 583 4.673 13.613 -6.004 479 HA2 GLY 583 1HA GLY 583 1.880 13.799 -6.140 480 HA3 GLY 583 2HA GLY 583 2.942 13.486 -7.505 481 H MET 584 H MET 584 3.908 11.100 -7.302 482 HA MET 584 HA MET 584 1.724 9.371 -7.756 483 HB2 MET 584 1HB MET 584 4.587 8.571 -7.221 484 HB3 MET 584 2HB MET 584 3.370 7.636 -8.079 485 HG2 MET 584 1HG MET 584 3.395 9.117 -9.920 486 HG3 MET 584 2HG MET 584 4.332 10.315 -9.031 487 HE1 MET 584 3HE MET 584 6.483 9.032 -7.628 488 HE2 MET 584 1HE MET 584 7.803 8.580 -8.707 489 HE3 MET 584 2HE MET 584 7.086 10.188 -8.818 490 H LEU 585 H LEU 585 4.014 9.640 -5.056 491 HA LEU 585 HA LEU 585 3.107 7.477 -3.548 492 HB2 LEU 585 1HB LEU 585 4.578 9.986 -2.977 493 HB3 LEU 585 2HB LEU 585 3.884 9.128 -1.602 494 HG LEU 585 HG LEU 585 5.174 7.129 -2.216 495 HD11 LEU 585 1HD1 LEU 585 5.270 7.743 -4.668 496 HD12 LEU 585 2HD1 LEU 585 6.755 7.105 -3.964 497 HD13 LEU 585 3HD1 LEU 585 6.586 8.838 -4.246 498 HD21 LEU 585 3HD2 LEU 585 6.864 7.861 -0.961 499 HD22 LEU 585 1HD2 LEU 585 6.089 9.444 -1.019 500 HD23 LEU 585 2HD2 LEU 585 7.360 9.041 -2.175 501 H LEU 586 H LEU 586 1.783 10.669 -3.972 502 HA LEU 586 HA LEU 586 -0.055 10.426 -1.753 503 HB2 LEU 586 1HB LEU 586 0.637 12.621 -2.150 504 HB3 LEU 586 2HB LEU 586 0.416 12.471 -3.892 505 HG LEU 586 HG LEU 586 -2.018 12.251 -2.221 506 HD11 LEU 586 1HD1 LEU 586 -1.233 14.063 -1.028 507 HD12 LEU 586 2HD1 LEU 586 -2.093 14.844 -2.355 508 HD13 LEU 586 3HD1 LEU 586 -0.335 14.713 -2.400 509 HD21 LEU 586 3HD2 LEU 586 -2.518 14.005 -4.219 510 HD22 LEU 586 1HD2 LEU 586 -2.686 12.256 -4.369 511 HD23 LEU 586 2HD2 LEU 586 -1.217 13.052 -4.935 512 H GLU 587 H GLU 587 0.027 9.560 -5.063 513 HA GLU 587 HA GLU 587 -2.811 9.580 -5.497 514 HB2 GLU 587 1HB GLU 587 -1.029 9.774 -7.294 515 HB3 GLU 587 2HB GLU 587 -0.749 8.051 -7.081 516 HG2 GLU 587 1HG GLU 587 -2.197 8.072 -8.856 517 HG3 GLU 587 2HG GLU 587 -3.303 7.851 -7.501 518 H ILE 588 H ILE 588 -0.403 6.975 -5.133 519 HA ILE 588 HA ILE 588 -1.809 4.723 -5.232 520 HB ILE 588 HB ILE 588 -0.537 4.152 -2.919 521 HG12 ILE 588 1HG1 ILE 588 1.121 6.364 -4.133 522 HG13 ILE 588 2HG1 ILE 588 0.076 6.613 -2.739 523 HG21 ILE 588 1HG2 ILE 588 1.237 4.448 -5.269 524 HG22 ILE 588 2HG2 ILE 588 0.935 3.046 -4.243 525 HG23 ILE 588 3HG2 ILE 588 -0.230 3.494 -5.488 526 HD11 ILE 588 3HD1 ILE 588 2.018 6.195 -1.661 527 HD12 ILE 588 1HD1 ILE 588 1.448 4.535 -1.829 528 HD13 ILE 588 2HD1 ILE 588 2.648 5.174 -2.953 529 H ASP 589 H ASP 589 -1.619 6.531 -2.159 530 HA ASP 589 HA ASP 589 -4.321 6.590 -1.584 531 HB2 ASP 589 1HB ASP 589 -3.216 3.956 -1.271 532 HB3 ASP 589 2HB ASP 589 -3.707 4.576 0.303 533 H ASN 590 H ASN 590 -4.099 8.418 -0.452 534 HA ASN 590 HA ASN 590 -1.970 9.197 1.124 535 HB2 ASN 590 1HB ASN 590 -4.886 9.957 1.205 536 HB3 ASN 590 2HB ASN 590 -3.700 10.705 2.271 537 HD21 ASN 590 2HD2 ASN 590 -5.364 11.745 0.028 538 HD22 ASN 590 1HD2 ASN 590 -4.242 12.522 -1.032 539 H SER 591 H SER 591 -4.865 7.393 2.044 540 HA SER 591 HA SER 591 -4.560 7.396 4.803 541 HB2 SER 591 1HB SER 591 -6.448 6.407 3.284 542 HB3 SER 591 2HB SER 591 -5.501 4.924 3.385 543 HG SER 591 HG SER 591 -6.163 4.664 5.359 544 H GLU 592 H GLU 592 -3.055 5.335 2.367 545 HA GLU 592 HA GLU 592 -1.820 3.547 4.186 546 HB2 GLU 592 1HB GLU 592 -2.188 3.076 1.767 547 HB3 GLU 592 2HB GLU 592 -0.941 4.254 1.382 548 HG2 GLU 592 1HG GLU 592 0.748 2.885 2.012 549 HG3 GLU 592 2HG GLU 592 -0.210 2.093 3.262 550 H LEU 593 H LEU 593 -0.885 6.632 2.813 551 HA LEU 593 HA LEU 593 1.841 6.522 3.636 552 HB2 LEU 593 1HB LEU 593 0.414 9.111 3.275 553 HB3 LEU 593 2HB LEU 593 2.045 8.650 2.792 554 HG LEU 593 HG LEU 593 -0.525 7.861 1.423 555 HD11 LEU 593 1HD1 LEU 593 1.568 9.294 -0.040 556 HD12 LEU 593 2HD1 LEU 593 0.807 10.225 1.249 557 HD13 LEU 593 3HD1 LEU 593 -0.181 9.527 -0.034 558 HD21 LEU 593 3HD2 LEU 593 1.268 6.104 1.421 559 HD22 LEU 593 1HD2 LEU 593 2.294 7.251 0.561 560 HD23 LEU 593 2HD2 LEU 593 0.792 6.690 -0.173 561 H LEU 594 H LEU 594 -1.132 7.722 5.078 562 HA LEU 594 HA LEU 594 0.007 9.159 7.209 563 HB2 LEU 594 1HB LEU 594 -2.648 7.802 6.851 564 HB3 LEU 594 2HB LEU 594 -2.233 8.669 8.328 565 HG LEU 594 HG LEU 594 -2.390 9.871 5.564 566 HD11 LEU 594 1HD1 LEU 594 -4.212 11.069 7.320 567 HD12 LEU 594 2HD1 LEU 594 -4.392 9.330 7.548 568 HD13 LEU 594 3HD1 LEU 594 -4.569 10.031 5.939 569 HD21 LEU 594 3HD2 LEU 594 -0.729 11.008 6.888 570 HD22 LEU 594 1HD2 LEU 594 -1.835 11.107 8.258 571 HD23 LEU 594 2HD2 LEU 594 -2.175 12.015 6.784 572 H HIS 595 H HIS 595 -0.137 5.819 6.596 573 HA HIS 595 HA HIS 595 0.564 5.239 9.400 574 HB2 HIS 595 1HB HIS 595 -1.565 4.191 8.094 575 HB3 HIS 595 2HB HIS 595 -0.334 2.998 7.691 576 HD1 HIS 595 HD1 HIS 595 -2.835 3.566 10.105 577 HD2 HIS 595 HD2 HIS 595 1.089 2.215 10.291 578 HE1 HIS 595 HE1 HIS 595 -2.648 2.345 12.295 579 H MET 596 H MET 596 1.652 5.336 6.217 580 HA MET 596 HA MET 596 3.634 3.235 6.525 581 HB2 MET 596 1HB MET 596 2.580 3.536 4.344 582 HB3 MET 596 2HB MET 596 3.151 5.198 4.277 583 HG2 MET 596 1HG MET 596 5.387 3.512 4.730 584 HG3 MET 596 2HG MET 596 4.447 2.843 3.399 585 HE1 MET 596 3HE MET 596 3.338 6.105 2.282 586 HE2 MET 596 1HE MET 596 4.276 5.674 0.851 587 HE3 MET 596 2HE MET 596 3.344 4.439 1.699 588 H LEU 597 H LEU 597 3.363 6.646 6.937 589 HA LEU 597 HA LEU 597 6.113 7.311 6.677 590 HB2 LEU 597 1HB LEU 597 5.539 9.428 7.463 591 HB3 LEU 597 2HB LEU 597 4.100 8.869 6.613 592 HG LEU 597 HG LEU 597 3.322 9.940 8.556 593 HD11 LEU 597 1HD1 LEU 597 3.404 6.985 9.146 594 HD12 LEU 597 2HD1 LEU 597 2.236 7.800 8.106 595 HD13 LEU 597 3HD1 LEU 597 2.273 8.151 9.834 596 HD21 LEU 597 3HD2 LEU 597 4.810 8.312 10.509 597 HD22 LEU 597 1HD2 LEU 597 4.358 10.016 10.556 598 HD23 LEU 597 2HD2 LEU 597 5.760 9.502 9.618 599 H GLU 598 H GLU 598 4.542 5.444 8.926 600 HA GLU 598 HA GLU 598 6.159 6.244 11.206 601 HB2 GLU 598 1HB GLU 598 4.352 3.840 11.081 602 HB3 GLU 598 2HB GLU 598 4.858 4.753 12.496 603 HG2 GLU 598 1HG GLU 598 3.575 6.708 11.490 604 HG3 GLU 598 2HG GLU 598 2.864 5.523 10.395 605 H SER 599 H SER 599 6.958 4.728 8.545 606 HA SER 599 HA SER 599 8.790 2.890 9.924 607 HB2 SER 599 1HB SER 599 7.013 1.521 8.947 608 HB3 SER 599 2HB SER 599 7.271 2.278 7.376 609 HG SER 599 HG SER 599 8.479 0.155 8.346 610 HA PRO 600 HA PRO 600 11.750 5.230 7.598 611 HB2 PRO 600 1HB PRO 600 13.918 3.727 8.242 612 HB3 PRO 600 2HB PRO 600 13.175 4.873 9.365 613 HG2 PRO 600 1HG PRO 600 12.849 1.902 9.197 614 HG3 PRO 600 2HG PRO 600 13.052 2.926 10.630 615 HD2 PRO 600 1HD PRO 600 10.639 1.985 9.842 616 HD3 PRO 600 2HD PRO 600 10.835 3.553 10.651 617 H GLU 601 H GLU 601 11.973 1.668 7.471 618 HA GLU 601 HA GLU 601 13.295 1.561 4.985 619 HB2 GLU 601 1HB GLU 601 13.105 -0.287 6.717 620 HB3 GLU 601 2HB GLU 601 11.486 -0.580 6.098 621 HG2 GLU 601 1HG GLU 601 12.862 -2.142 5.028 622 HG3 GLU 601 2HG GLU 601 12.551 -0.889 3.827 623 H SER 602 H SER 602 10.042 2.197 5.804 624 HA SER 602 HA SER 602 8.950 1.360 3.256 625 HB2 SER 602 1HB SER 602 7.648 2.954 5.476 626 HB3 SER 602 2HB SER 602 6.824 2.196 4.114 627 HG SER 602 HG SER 602 7.802 0.177 4.966 628 H LEU 603 H LEU 603 9.318 4.461 4.977 629 HA LEU 603 HA LEU 603 8.443 6.161 2.986 630 HB2 LEU 603 1HB LEU 603 8.821 7.197 5.007 631 HB3 LEU 603 2HB LEU 603 10.394 6.432 5.223 632 HG LEU 603 HG LEU 603 11.361 7.942 3.560 633 HD11 LEU 603 1HD1 LEU 603 8.718 8.301 2.757 634 HD12 LEU 603 2HD1 LEU 603 10.144 9.132 2.136 635 HD13 LEU 603 3HD1 LEU 603 9.205 9.850 3.445 636 HD21 LEU 603 3HD2 LEU 603 9.992 9.887 5.279 637 HD22 LEU 603 1HD2 LEU 603 11.712 9.547 5.089 638 HD23 LEU 603 2HD2 LEU 603 10.722 8.527 6.133 639 H ARG 604 H ARG 604 11.846 5.297 3.639 640 HA ARG 604 HA ARG 604 12.942 6.536 1.398 641 HB2 ARG 604 1HB ARG 604 14.049 5.379 3.488 642 HB3 ARG 604 2HB ARG 604 14.111 3.981 2.422 643 HG2 ARG 604 1HG ARG 604 15.529 5.070 0.898 644 HG3 ARG 604 2HG ARG 604 15.215 6.651 1.617 645 HD2 ARG 604 1HD ARG 604 16.557 4.400 3.097 646 HD3 ARG 604 2HD ARG 604 17.445 5.612 2.173 647 HE ARG 604 HE ARG 604 15.827 7.034 3.874 648 HH11 ARG 604 1HH1 ARG 604 18.319 4.627 4.212 649 HH12 ARG 604 2HH1 ARG 604 18.854 5.209 5.753 650 HH21 ARG 604 1HH2 ARG 604 16.522 7.810 5.904 651 HH22 ARG 604 2HH2 ARG 604 17.831 7.018 6.715 652 H SER 605 H SER 605 11.661 3.265 1.800 653 HA SER 605 HA SER 605 12.440 2.157 -0.621 654 HB2 SER 605 1HB SER 605 11.473 0.678 0.937 655 HB3 SER 605 2HB SER 605 10.042 1.688 1.140 656 HG SER 605 HG SER 605 10.747 0.071 -1.074 657 H LYS 606 H LYS 606 9.384 3.831 0.123 658 HA LYS 606 HA LYS 606 8.310 3.742 -2.457 659 HB2 LYS 606 1HB LYS 606 7.893 5.704 -0.201 660 HB3 LYS 606 2HB LYS 606 6.956 5.738 -1.689 661 HG2 LYS 606 1HG LYS 606 7.101 3.405 0.210 662 HG3 LYS 606 2HG LYS 606 5.795 4.591 0.147 663 HD2 LYS 606 1HD LYS 606 6.625 2.786 -2.125 664 HD3 LYS 606 2HD LYS 606 5.239 2.520 -1.065 665 HE2 LYS 606 1HE LYS 606 4.302 4.680 -1.810 666 HE3 LYS 606 2HE LYS 606 5.660 4.863 -2.919 667 HZ1 LYS 606 3HZ LYS 606 3.883 3.989 -4.168 668 HZ2 LYS 606 1HZ LYS 606 3.515 2.822 -3.001 669 HZ3 LYS 606 2HZ LYS 606 4.934 2.689 -3.910 670 H VAL 607 H VAL 607 10.053 6.411 -0.857 671 HA VAL 607 HA VAL 607 10.113 8.215 -2.940 672 HB VAL 607 HB VAL 607 12.296 7.686 -0.919 673 HG11 VAL 607 1HG1 VAL 607 12.177 9.491 -3.158 674 HG12 VAL 607 2HG1 VAL 607 12.277 10.386 -1.640 675 HG13 VAL 607 3HG1 VAL 607 13.502 9.181 -2.037 676 HG21 VAL 607 3HG2 VAL 607 9.996 8.227 -0.047 677 HG22 VAL 607 1HG2 VAL 607 11.269 9.349 0.433 678 HG23 VAL 607 2HG2 VAL 607 10.142 9.790 -0.849 679 H ASP 608 H ASP 608 12.547 5.717 -2.213 680 HA ASP 608 HA ASP 608 14.244 6.208 -4.365 681 HB2 ASP 608 1HB ASP 608 14.891 4.753 -2.525 682 HB3 ASP 608 2HB ASP 608 13.643 3.592 -2.969 683 H GLU 609 H GLU 609 11.563 3.874 -4.137 684 HA GLU 609 HA GLU 609 11.737 2.817 -6.698 685 HB2 GLU 609 1HB GLU 609 9.435 3.190 -4.805 686 HB3 GLU 609 2HB GLU 609 9.185 2.490 -6.398 687 HG2 GLU 609 1HG GLU 609 10.997 1.424 -4.245 688 HG3 GLU 609 2HG GLU 609 9.441 0.756 -4.735 689 H ALA 610 H ALA 610 9.726 5.537 -5.579 690 HA ALA 610 HA ALA 610 8.518 6.212 -7.965 691 HB1 ALA 610 3HB ALA 610 8.915 7.445 -5.413 692 HB2 ALA 610 1HB ALA 610 9.114 8.646 -6.689 693 HB3 ALA 610 2HB ALA 610 7.626 7.704 -6.588 694 H VAL 611 H VAL 611 11.471 7.738 -6.656 695 HA VAL 611 HA VAL 611 12.135 9.303 -8.818 696 HB VAL 611 HB VAL 611 14.125 7.825 -7.092 697 HG11 VAL 611 1HG1 VAL 611 15.737 9.104 -7.974 698 HG12 VAL 611 2HG1 VAL 611 14.596 9.377 -9.292 699 HG13 VAL 611 3HG1 VAL 611 14.722 10.546 -7.977 700 HG21 VAL 611 3HG2 VAL 611 13.712 10.514 -6.259 701 HG22 VAL 611 1HG2 VAL 611 12.146 9.707 -6.340 702 HG23 VAL 611 2HG2 VAL 611 13.440 9.025 -5.353 703 H ALA 612 H ALA 612 12.945 5.898 -8.268 704 HA ALA 612 HA ALA 612 14.604 5.509 -10.481 705 HB1 ALA 612 3HB ALA 612 14.139 3.936 -8.520 706 HB2 ALA 612 1HB ALA 612 12.742 3.393 -9.450 707 HB3 ALA 612 2HB ALA 612 14.367 3.211 -10.111 708 H VAL 613 H VAL 613 11.085 5.250 -10.178 709 HA VAL 613 HA VAL 613 10.577 4.266 -12.765 710 HB VAL 613 HB VAL 613 8.822 5.909 -10.938 711 HG11 VAL 613 1HG1 VAL 613 7.234 4.382 -12.658 712 HG12 VAL 613 2HG1 VAL 613 7.423 6.137 -12.651 713 HG13 VAL 613 3HG1 VAL 613 8.447 5.142 -13.687 714 HG21 VAL 613 3HG2 VAL 613 7.735 3.484 -10.892 715 HG22 VAL 613 1HG2 VAL 613 9.397 3.016 -11.249 716 HG23 VAL 613 2HG2 VAL 613 9.036 3.949 -9.797 717 H LEU 614 H LEU 614 10.807 7.558 -11.494 718 HA LEU 614 HA LEU 614 9.897 9.014 -13.647 719 HB2 LEU 614 1HB LEU 614 12.322 9.784 -12.046 720 HB3 LEU 614 2HB LEU 614 11.154 10.850 -12.824 721 HG LEU 614 HG LEU 614 10.813 9.231 -10.313 722 HD11 LEU 614 1HD1 LEU 614 10.783 12.150 -11.008 723 HD12 LEU 614 2HD1 LEU 614 11.789 11.304 -9.832 724 HD13 LEU 614 3HD1 LEU 614 10.069 11.535 -9.517 725 HD21 LEU 614 3HD2 LEU 614 8.773 8.848 -11.398 726 HD22 LEU 614 1HD2 LEU 614 8.731 10.473 -12.084 727 HD23 LEU 614 2HD2 LEU 614 8.467 10.238 -10.356 728 H GLN 615 H GLN 615 13.014 7.448 -13.211 729 HA GLN 615 HA GLN 615 14.467 8.593 -15.267 730 HB2 GLN 615 1HB GLN 615 15.166 6.829 -13.511 731 HB3 GLN 615 2HB GLN 615 14.612 5.647 -14.689 732 HG2 GLN 615 1HG GLN 615 16.178 6.679 -16.338 733 HG3 GLN 615 2HG GLN 615 16.817 7.663 -15.022 734 HE21 GLN 615 2HE2 GLN 615 18.460 6.003 -16.429 735 HE22 GLN 615 1HE2 GLN 615 18.960 4.685 -15.430 736 H ALA 616 H ALA 616 11.973 6.131 -15.402 737 HA ALA 616 HA ALA 616 12.363 5.185 -17.994 738 HB1 ALA 616 3HB ALA 616 10.744 4.365 -16.176 739 HB2 ALA 616 1HB ALA 616 9.626 5.563 -16.831 740 HB3 ALA 616 2HB ALA 616 10.227 4.261 -17.859 741 H HIS 617 H HIS 617 11.131 8.214 -16.878 742 HA HIS 617 HA HIS 617 10.291 8.905 -19.615 743 HB2 HIS 617 1HB HIS 617 8.733 9.098 -17.469 744 HB3 HIS 617 2HB HIS 617 9.574 10.636 -17.295 745 HD1 HIS 617 HD1 HIS 617 6.532 10.441 -17.932 746 HD2 HIS 617 HD2 HIS 617 9.528 10.966 -20.762 747 HE1 HIS 617 HE1 HIS 617 5.408 11.511 -19.911 748 H GLN 618 H GLN 618 11.569 10.606 -16.748 749 HA GLN 618 HA GLN 618 13.765 11.665 -18.313 750 HB2 GLN 618 1HB GLN 618 13.248 13.971 -18.027 751 HB3 GLN 618 2HB GLN 618 11.811 13.210 -18.698 752 HG2 GLN 618 1HG GLN 618 12.214 13.811 -15.778 753 HG3 GLN 618 2HG GLN 618 11.337 14.845 -16.905 754 HE21 GLN 618 2HE2 GLN 618 11.265 11.984 -15.001 755 HE22 GLN 618 1HE2 GLN 618 9.617 11.561 -15.303 756 H ALA 619 H ALA 619 15.508 12.253 -17.081 757 HA ALA 619 HA ALA 619 15.574 11.294 -14.394 758 HB1 ALA 619 3HB ALA 619 17.641 10.992 -15.231 759 HB2 ALA 619 1HB ALA 619 17.510 12.361 -16.335 760 HB3 ALA 619 2HB ALA 619 17.908 12.631 -14.638 761 H LYS 620 H LYS 620 16.567 14.508 -15.567 762 HA LYS 620 HA LYS 620 15.078 15.732 -13.357 763 HB2 LYS 620 1HB LYS 620 17.552 15.355 -12.802 764 HB3 LYS 620 2HB LYS 620 17.893 16.583 -14.014 765 HG2 LYS 620 1HG LYS 620 16.099 17.924 -12.571 766 HG3 LYS 620 2HG LYS 620 16.720 16.851 -11.314 767 HD2 LYS 620 1HD LYS 620 18.854 17.732 -11.434 768 HD3 LYS 620 2HD LYS 620 18.629 18.321 -13.083 769 HE2 LYS 620 1HE LYS 620 17.164 20.075 -12.294 770 HE3 LYS 620 2HE LYS 620 17.246 19.445 -10.649 771 HZ1 LYS 620 3HZ LYS 620 19.785 19.812 -10.995 772 HZ2 LYS 620 1HZ LYS 620 18.789 21.113 -10.574 773 HZ3 LYS 620 2HZ LYS 620 19.279 20.908 -12.180 774 H GLU 621 H GLU 621 14.735 15.551 -16.299 775 HA GLU 621 HA GLU 621 14.101 16.873 -18.039 776 HB2 GLU 621 1HB GLU 621 13.781 18.768 -15.723 777 HB3 GLU 621 2HB GLU 621 13.408 19.259 -17.369 778 HG2 GLU 621 1HG GLU 621 12.187 16.803 -16.173 779 HG3 GLU 621 2HG GLU 621 11.506 18.403 -15.882 780 H ALA 622 H ALA 622 16.826 16.542 -17.790 781 HA ALA 622 HA ALA 622 17.935 19.197 -18.410 782 HB1 ALA 622 3HB ALA 622 19.451 16.684 -17.720 783 HB2 ALA 622 1HB ALA 622 20.106 18.314 -17.885 784 HB3 ALA 622 2HB ALA 622 19.005 17.935 -16.560 785 H ALA 623 H ALA 623 17.794 19.562 -20.536 786 HA ALA 623 HA ALA 623 18.426 17.367 -22.390 787 HB1 ALA 623 3HB ALA 623 17.430 19.302 -23.993 788 HB2 ALA 623 1HB ALA 623 16.453 18.045 -23.232 789 HB3 ALA 623 2HB ALA 623 16.566 19.643 -22.493
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