NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643563 | 6so9 | 34428 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HO5' ADN 1 H5T ADE 1 8.891 -2.513 -9.454 2 H5'1 ADN 1 H5' ADE 1 6.880 -0.675 -8.760 3 H5'2 ADN 1 H5'' ADE 1 7.513 -1.111 -10.353 4 H4' ADN 1 H4' ADE 1 8.139 1.134 -8.992 5 H3' ADN 1 H3' ADE 1 8.813 0.300 -11.448 6 H2' ADN 1 H2' ADE 1 10.595 -1.196 -10.801 7 HO2' ADN 1 HO2' ADE 1 12.429 0.757 -10.609 8 H1' ADN 1 H1' ADE 1 11.549 0.884 -8.762 9 H8 ADN 1 H8 ADE 1 10.369 -2.666 -8.139 10 HN61 ADN 1 H61 ADE 1 14.663 -4.620 -6.962 11 HN62 ADN 1 H62 ADE 1 16.301 -4.005 -6.974 12 H2 ADN 1 H2 ADE 1 16.087 0.218 -8.472 13 H5' U 2 H5' URI 2 10.284 5.845 -11.795 14 H5'' U 2 H5'' URI 2 10.569 4.611 -10.556 15 H4' U 2 H4' URI 2 9.022 6.852 -10.282 16 H3' U 2 H3' URI 2 9.901 5.073 -8.491 17 H2' U 2 H2' URI 2 8.336 3.300 -9.066 18 HO2' U 2 HO2' URI 2 7.366 4.967 -6.997 19 H1' U 2 H1' URI 2 6.147 5.460 -9.135 20 H3 U 2 H3 URI 2 2.866 3.031 -10.870 21 H5 U 2 H5 URI 2 6.253 0.724 -11.776 22 H6 U 2 H6 URI 2 7.597 2.434 -10.747 23 H5' C 3 H5' CYT 3 7.305 8.348 -6.384 24 H5'' C 3 H5'' CYT 3 8.156 9.585 -5.438 25 H4' C 3 H4' CYT 3 6.778 8.109 -4.063 26 H3' C 3 H3' CYT 3 9.219 9.003 -3.314 27 H2' C 3 H2' CYT 3 10.464 7.038 -3.972 28 HO2' C 3 HO2' CYT 3 9.421 6.480 -1.371 29 H1' C 3 H1' CYT 3 8.124 5.356 -2.894 30 H41 C 3 H41 CYT 3 11.841 1.575 -6.871 31 H42 C 3 H42 CYT 3 11.248 0.557 -5.580 32 H5 C 3 H5 CYT 3 11.322 3.936 -7.033 33 H6 C 3 H6 CYT 3 10.168 5.799 -5.967 34 H5' U 4 H5' URI 4 6.746 11.029 -1.318 35 H5'' U 4 H5'' URI 4 7.954 11.553 -0.129 36 H4' U 4 H4' URI 4 5.120 11.682 0.015 37 H3' U 4 H3' URI 4 7.002 13.294 0.994 38 H2' U 4 H2' URI 4 7.923 11.668 2.577 39 HO2' U 4 HO2' URI 4 6.018 13.409 3.706 40 H1' U 4 H1' URI 4 5.008 11.061 3.360 41 H3 U 4 H3 URI 4 6.684 8.532 6.683 42 H5 U 4 H5 URI 4 8.485 6.973 3.228 43 H6 U 4 H6 URI 4 7.502 8.788 1.990 44 H5' U 5 H5' URI 5 2.960 12.889 -0.706 45 H5'' U 5 H5'' URI 5 2.272 14.469 -1.131 46 H4' U 5 H4' URI 5 0.487 12.948 -0.839 47 H3' U 5 H3' URI 5 0.410 15.302 0.488 48 H2' U 5 H2' URI 5 1.239 14.432 2.598 49 HO2' U 5 HO2' URI 5 -1.550 13.825 2.728 50 H1' U 5 H1' URI 5 -0.571 11.993 2.067 51 H3 U 5 H3 URI 5 0.446 9.836 5.802 52 H5 U 5 H5 URI 5 3.983 11.961 5.019 53 H6 U 5 H6 URI 5 2.908 12.886 3.073 54 H5' A 6 H5' ADE 6 -3.558 15.499 -2.617 55 H5'' A 6 H5'' ADE 6 -2.213 15.630 -3.764 56 H4' A 6 H4' ADE 6 -3.523 17.674 -2.112 57 H3' A 6 H3' ADE 6 -3.242 17.541 -4.768 58 HO3' A 6 H3T ADE 6 -2.931 20.072 -4.155 59 H2' A 6 H2' ADE 6 -0.827 17.575 -4.847 60 HO2' A 6 HO2' ADE 6 -1.052 19.327 -6.079 61 H1' A 6 H1' ADE 6 -0.824 19.751 -2.684 62 H8 A 6 H8 ADE 6 1.422 18.613 -4.936 63 H61 A 6 H61 ADE 6 5.285 17.259 -2.327 64 H62 A 6 H62 ADE 6 5.521 16.889 -0.634 65 H2 A 6 H2 ADE 6 1.537 17.402 1.366 66 H1 GLY 510 HT1 GLY 510 17.482 -16.049 6.210 67 H2 GLY 510 HT2 GLY 510 18.604 -14.955 6.844 68 H3 GLY 510 HT3 GLY 510 18.379 -15.059 5.176 69 HA2 GLY 510 HA3 GLY 510 16.149 -14.208 5.364 70 HA3 GLY 510 HA2 GLY 510 16.320 -14.167 7.113 71 H ALA 511 HN ALA 511 15.612 -11.927 5.663 72 HA ALA 511 HA ALA 511 16.049 -9.708 5.520 73 HB1 ALA 511 HB1 ALA 511 16.797 -9.999 7.843 74 HB2 ALA 511 HB2 ALA 511 17.693 -8.734 7.003 75 HB3 ALA 511 HB3 ALA 511 18.433 -10.312 7.263 76 H MET 512 HN MET 512 17.491 -11.793 3.771 77 HA MET 512 HA MET 512 19.849 -10.407 2.866 78 HB2 MET 512 HB2 MET 512 19.719 -12.853 2.720 79 HB3 MET 512 HB3 MET 512 18.326 -12.724 1.656 80 HG2 MET 512 HG2 MET 512 19.729 -11.582 -0.005 81 HG3 MET 512 HG3 MET 512 21.122 -11.790 1.053 82 HE1 MET 512 HE1 MET 512 18.861 -15.195 -1.086 83 HE2 MET 512 HE2 MET 512 18.545 -13.475 -1.322 84 HE3 MET 512 HE3 MET 512 18.129 -14.247 0.207 85 H ALA 513 HN ALA 513 16.583 -11.007 1.662 86 HA ALA 513 HA ALA 513 16.968 -9.142 -0.531 87 HB1 ALA 513 HB1 ALA 513 14.701 -9.771 -1.193 88 HB2 ALA 513 HB2 ALA 513 14.523 -10.712 0.289 89 HB3 ALA 513 HB3 ALA 513 15.703 -11.198 -0.927 90 H GLN 514 HN GLN 514 17.439 -7.428 1.044 91 HA GLN 514 HA GLN 514 16.905 -5.410 1.921 92 HB2 GLN 514 HB2 GLN 514 14.068 -6.126 1.171 93 HB3 GLN 514 HB3 GLN 514 14.578 -4.558 1.784 94 HG2 GLN 514 HG2 GLN 514 15.976 -4.214 -0.150 95 HG3 GLN 514 HG3 GLN 514 15.594 -5.828 -0.746 96 HE21 GLN 514 HE21 GLN 514 15.192 -3.229 -1.983 97 HE22 GLN 514 HE22 GLN 514 13.506 -3.119 -2.327 98 H ARG 515 HN ARG 515 16.131 -4.470 3.870 99 HA ARG 515 HA ARG 515 15.846 -6.444 5.973 100 HB2 ARG 515 HB2 ARG 515 16.067 -3.432 6.167 101 HB3 ARG 515 HB3 ARG 515 16.219 -4.571 7.496 102 HG2 ARG 515 HG2 ARG 515 18.075 -4.396 5.135 103 HG3 ARG 515 HG3 ARG 515 18.385 -3.720 6.735 104 HD2 ARG 515 HD2 ARG 515 18.334 -5.928 7.711 105 HD3 ARG 515 HD3 ARG 515 17.907 -6.637 6.155 106 HE ARG 515 HE ARG 515 20.255 -5.300 5.709 107 HH11 ARG 515 HH11 ARG 515 19.238 -7.773 7.958 108 HH12 ARG 515 HH12 ARG 515 20.765 -8.597 7.944 109 HH21 ARG 515 HH21 ARG 515 22.276 -6.360 5.704 110 HH22 ARG 515 HH22 ARG 515 22.499 -7.783 6.666 111 H LYS 516 HN LYS 516 13.611 -6.856 4.871 112 HA LYS 516 HA LYS 516 11.588 -4.975 5.828 113 HB2 LYS 516 HB2 LYS 516 11.195 -7.493 4.203 114 HB3 LYS 516 HB3 LYS 516 9.994 -6.250 4.515 115 HG2 LYS 516 HG2 LYS 516 12.488 -5.976 2.854 116 HG3 LYS 516 HG3 LYS 516 10.823 -6.027 2.275 117 HD2 LYS 516 HD2 LYS 516 10.379 -3.931 3.542 118 HD3 LYS 516 HD3 LYS 516 12.095 -3.865 3.956 119 HE2 LYS 516 HE2 LYS 516 12.575 -3.929 1.483 120 HE3 LYS 516 HE3 LYS 516 10.848 -3.706 1.219 121 HZ1 LYS 516 HZ1 LYS 516 10.972 -1.609 2.406 122 HZ2 LYS 516 HZ2 LYS 516 12.056 -1.618 1.108 123 HZ3 LYS 516 HZ3 LYS 516 12.625 -1.832 2.686 124 H GLY 517 HN GLY 517 12.576 -5.812 8.004 125 HA2 GLY 517 HA2 GLY 517 10.663 -7.826 8.999 126 HA3 GLY 517 HA3 GLY 517 12.363 -7.920 9.450 127 H ALA 518 HN ALA 518 13.269 -5.894 10.429 128 HA ALA 518 HA ALA 518 11.433 -4.773 12.381 129 HB1 ALA 518 HB1 ALA 518 13.429 -3.669 13.297 130 HB2 ALA 518 HB2 ALA 518 14.384 -4.279 11.947 131 HB3 ALA 518 HB3 ALA 518 13.682 -5.403 13.110 132 H GLY 519 HN GLY 519 10.186 -3.876 10.533 133 HA2 GLY 519 HA2 GLY 519 9.715 -1.525 9.872 134 HA3 GLY 519 HA3 GLY 519 11.418 -1.421 9.451 135 H ARG 520 HN ARG 520 8.453 -1.714 8.124 136 HA ARG 520 HA ARG 520 9.640 -2.951 5.732 137 HB2 ARG 520 HB2 ARG 520 6.810 -3.399 6.702 138 HB3 ARG 520 HB3 ARG 520 7.516 -4.052 5.232 139 HG2 ARG 520 HG2 ARG 520 8.765 -5.612 6.360 140 HG3 ARG 520 HG3 ARG 520 8.782 -4.673 7.856 141 HD2 ARG 520 HD2 ARG 520 6.434 -6.156 6.681 142 HD3 ARG 520 HD3 ARG 520 7.349 -6.602 8.122 143 HE ARG 520 HE ARG 520 5.573 -4.250 7.863 144 HH11 ARG 520 HH11 ARG 520 7.307 -6.570 9.859 145 HH12 ARG 520 HH12 ARG 520 6.605 -5.999 11.338 146 HH21 ARG 520 HH21 ARG 520 4.681 -3.498 9.798 147 HH22 ARG 520 HH22 ARG 520 5.104 -4.264 11.304 148 H VAL 521 HN VAL 521 9.370 -1.768 3.954 149 HA VAL 521 HA VAL 521 7.114 0.107 3.879 150 HB VAL 521 HB VAL 521 9.713 0.357 2.369 151 HG11 VAL 521 HG11 VAL 521 8.696 2.569 1.679 152 HG12 VAL 521 HG12 VAL 521 7.153 1.908 2.223 153 HG13 VAL 521 HG13 VAL 521 8.033 1.125 0.917 154 HG21 VAL 521 HG21 VAL 521 9.880 0.999 4.714 155 HG22 VAL 521 HG22 VAL 521 8.500 2.078 4.515 156 HG23 VAL 521 HG23 VAL 521 10.003 2.401 3.654 157 H VAL 522 HN VAL 522 5.546 -0.496 2.596 158 HA VAL 522 HA VAL 522 6.205 -2.062 0.190 159 HB VAL 522 HB VAL 522 3.598 -2.162 1.718 160 HG11 VAL 522 HG11 VAL 522 4.672 -3.875 -0.519 161 HG12 VAL 522 HG12 VAL 522 3.376 -2.683 -0.642 162 HG13 VAL 522 HG13 VAL 522 3.150 -4.136 0.334 163 HG21 VAL 522 HG21 VAL 522 5.356 -3.117 3.093 164 HG22 VAL 522 HG22 VAL 522 5.879 -4.136 1.751 165 HG23 VAL 522 HG23 VAL 522 4.295 -4.388 2.486 166 H HIS 523 HN HIS 523 5.765 -0.941 -1.661 167 HA HIS 523 HA HIS 523 4.246 1.535 -1.326 168 HB2 HIS 523 HB2 HIS 523 6.562 1.841 -1.974 169 HB3 HIS 523 HB3 HIS 523 6.392 0.684 -3.285 170 HD1 HIS 523 HD1 HIS 523 5.411 1.524 -5.481 171 HD2 HIS 523 HD2 HIS 523 5.471 4.409 -2.490 172 HE1 HIS 523 HE1 HIS 523 4.982 3.706 -6.641 173 HE2 HIS 523 HE2 HIS 523 5.258 5.449 -4.855 174 H ILE 524 HN ILE 524 2.434 1.836 -2.393 175 HA ILE 524 HA ILE 524 1.697 -0.069 -4.515 176 HB ILE 524 HB ILE 524 -0.154 1.612 -2.807 177 HG12 ILE 524 HG12 ILE 524 0.601 -1.309 -2.589 178 HG13 ILE 524 HG13 ILE 524 0.934 -0.046 -1.414 179 HG21 ILE 524 HG21 ILE 524 -1.913 0.128 -3.721 180 HG22 ILE 524 HG22 ILE 524 -0.706 -0.601 -4.781 181 HG23 ILE 524 HG23 ILE 524 -1.119 1.103 -4.959 182 HD11 ILE 524 HD11 ILE 524 -1.792 -1.064 -2.170 183 HD12 ILE 524 HD12 ILE 524 -1.444 0.183 -0.972 184 HD13 ILE 524 HD13 ILE 524 -0.895 -1.475 -0.708 185 H CYS 525 HN CYS 525 0.936 0.815 -6.462 186 HA CYS 525 HA CYS 525 0.944 3.716 -6.668 187 HB2 CYS 525 HB2 CYS 525 2.411 3.369 -8.807 188 HB3 CYS 525 HB3 CYS 525 3.163 3.494 -7.223 189 HG CYS 525 HG CYS 525 2.656 0.370 -7.456 190 H ASN 526 HN ASN 526 0.298 4.476 -8.782 191 HA ASN 526 HA ASN 526 -0.878 4.454 -10.744 192 HB2 ASN 526 HB2 ASN 526 -1.457 1.543 -10.156 193 HB3 ASN 526 HB3 ASN 526 -2.041 2.402 -11.576 194 HD21 ASN 526 HD21 ASN 526 -0.349 0.078 -11.477 195 HD22 ASN 526 HD22 ASN 526 1.139 0.514 -12.251 196 H LEU 527 HN LEU 527 -1.659 5.069 -8.040 197 HA LEU 527 HA LEU 527 -4.543 4.604 -8.033 198 HB2 LEU 527 HB2 LEU 527 -2.666 5.899 -6.059 199 HB3 LEU 527 HB1 LEU 527 -4.406 5.929 -5.870 200 HG LEU 527 HG LEU 527 -2.796 3.381 -6.020 201 HD11 LEU 527 HD11 LEU 527 -3.794 4.880 -3.600 202 HD12 LEU 527 HD12 LEU 527 -2.108 4.661 -4.067 203 HD13 LEU 527 HD13 LEU 527 -3.078 3.269 -3.585 204 HD21 LEU 527 HD21 LEU 527 -4.815 2.383 -5.085 205 HD22 LEU 527 HD22 LEU 527 -5.162 3.184 -6.617 206 HD23 LEU 527 HD23 LEU 527 -5.608 3.959 -5.098 207 HA PRO 528 HA PRO 528 -4.847 8.499 -10.186 208 HB2 PRO 528 HB2 PRO 528 -7.726 8.336 -9.929 209 HB3 PRO 528 HB1 PRO 528 -6.736 8.119 -11.371 210 HG2 PRO 528 HG2 PRO 528 -8.127 6.095 -10.140 211 HG3 PRO 528 HG3 PRO 528 -6.691 5.848 -11.147 212 HD2 PRO 528 HD2 PRO 528 -6.953 5.858 -8.179 213 HD3 PRO 528 HD3 PRO 528 -5.911 4.873 -9.225 214 H GLU 529 HN GLU 529 -4.797 10.529 -9.418 215 HA GLU 529 HA GLU 529 -5.528 11.215 -6.781 216 HB2 GLU 529 HB2 GLU 529 -3.849 12.505 -7.927 217 HB3 GLU 529 HB3 GLU 529 -4.976 12.917 -9.214 218 HG2 GLU 529 HG2 GLU 529 -6.316 14.199 -7.596 219 HG3 GLU 529 HG3 GLU 529 -5.126 13.832 -6.349 220 H GLY 530 HN GLY 530 -7.424 11.928 -5.933 221 HA2 GLY 530 HA2 GLY 530 -9.649 12.708 -5.999 222 HA3 GLY 530 HA3 GLY 530 -9.634 12.532 -7.751 223 H SER 531 HN SER 531 -8.214 9.883 -6.415 224 HA SER 531 HA SER 531 -10.629 8.356 -5.939 225 HB2 SER 531 HB2 SER 531 -8.713 7.667 -8.178 226 HB3 SER 531 HB3 SER 531 -10.079 6.677 -7.657 227 HG SER 531 HG SER 531 -10.747 9.277 -8.218 228 H CYS 532 HN CYS 532 -7.727 9.213 -4.963 229 HA CYS 532 HA CYS 532 -6.704 6.599 -4.153 230 HB2 CYS 532 HB2 CYS 532 -5.690 9.380 -3.501 231 HB3 CYS 532 HB3 CYS 532 -4.859 7.876 -3.130 232 HG CYS 532 HG CYS 532 -5.577 8.358 -6.376 233 H THR 533 HN THR 533 -8.422 5.933 -2.769 234 HA THR 533 HA THR 533 -8.990 7.708 -0.511 235 HB THR 533 HB THR 533 -10.879 6.176 -0.063 236 HG1 THR 533 HG1 THR 533 -11.227 4.403 -1.351 237 HG21 THR 533 HG21 THR 533 -12.211 6.696 -2.060 238 HG22 THR 533 HG22 THR 533 -10.736 7.101 -2.939 239 HG23 THR 533 HG23 THR 533 -11.239 8.080 -1.560 240 H GLU 534 HN GLU 534 -8.779 6.979 1.618 241 HA GLU 534 HA GLU 534 -6.486 5.370 2.059 242 HB2 GLU 534 HB2 GLU 534 -8.477 6.442 4.063 243 HB3 GLU 534 HB3 GLU 534 -6.878 5.814 4.422 244 HG2 GLU 534 HG2 GLU 534 -5.822 7.631 3.225 245 HG3 GLU 534 HG3 GLU 534 -7.401 8.206 2.673 246 H ASN 535 HN ASN 535 -9.885 4.882 2.208 247 HA ASN 535 HA ASN 535 -9.867 2.534 3.793 248 HB2 ASN 535 HB2 ASN 535 -11.833 4.151 3.200 249 HB3 ASN 535 HB3 ASN 535 -12.029 3.107 1.797 250 HD21 ASN 535 HD21 ASN 535 -12.335 3.387 5.224 251 HD22 ASN 535 HD22 ASN 535 -13.193 1.904 5.484 252 H ASP 536 HN ASP 536 -9.832 3.067 0.257 253 HA ASP 536 HA ASP 536 -10.362 0.310 -0.342 254 HB2 ASP 536 HB2 ASP 536 -9.529 2.658 -2.042 255 HB3 ASP 536 HB3 ASP 536 -9.723 1.038 -2.703 256 H VAL 537 HN VAL 537 -7.532 2.355 -0.371 257 HA VAL 537 HA VAL 537 -5.650 0.534 -1.406 258 HB VAL 537 HB VAL 537 -5.130 2.681 0.672 259 HG11 VAL 537 HG11 VAL 537 -2.864 2.730 -0.196 260 HG12 VAL 537 HG12 VAL 537 -3.261 1.463 -1.358 261 HG13 VAL 537 HG13 VAL 537 -3.257 1.102 0.370 262 HG21 VAL 537 HG21 VAL 537 -4.586 4.103 -1.267 263 HG22 VAL 537 HG22 VAL 537 -6.280 3.615 -1.236 264 HG23 VAL 537 HG23 VAL 537 -5.152 2.824 -2.339 265 H ILE 538 HN ILE 538 -6.588 1.219 1.927 266 HA ILE 538 HA ILE 538 -5.106 -0.895 3.074 267 HB ILE 538 HB ILE 538 -7.475 0.649 4.112 268 HG12 ILE 538 HG12 ILE 538 -4.502 0.766 4.619 269 HG13 ILE 538 HG13 ILE 538 -5.502 1.999 3.856 270 HG21 ILE 538 HG21 ILE 538 -7.471 -1.511 5.181 271 HG22 ILE 538 HG22 ILE 538 -6.871 -0.301 6.313 272 HG23 ILE 538 HG23 ILE 538 -5.743 -1.386 5.501 273 HD11 ILE 538 HD11 ILE 538 -6.687 2.325 5.969 274 HD12 ILE 538 HD12 ILE 538 -4.955 2.622 6.119 275 HD13 ILE 538 HD13 ILE 538 -5.648 1.118 6.725 276 H ASN 539 HN ASN 539 -8.357 -0.708 1.694 277 HA ASN 539 HA ASN 539 -9.382 -3.129 2.593 278 HB2 ASN 539 HB2 ASN 539 -9.793 -1.805 -0.093 279 HB3 ASN 539 HB3 ASN 539 -10.670 -3.232 0.424 280 HD21 ASN 539 HD21 ASN 539 -10.822 -2.142 3.218 281 HD22 ASN 539 HD22 ASN 539 -12.047 -0.939 3.145 282 H LEU 540 HN LEU 540 -6.996 -2.481 0.119 283 HA LEU 540 HA LEU 540 -6.933 -5.183 -0.833 284 HB2 LEU 540 HB2 LEU 540 -4.847 -3.001 -0.955 285 HB3 LEU 540 HB1 LEU 540 -4.787 -4.505 -1.851 286 HG LEU 540 HG LEU 540 -6.797 -2.287 -2.212 287 HD11 LEU 540 HD11 LEU 540 -5.740 -2.088 -4.422 288 HD12 LEU 540 HD12 LEU 540 -4.543 -3.291 -3.939 289 HD13 LEU 540 HD13 LEU 540 -4.625 -1.740 -3.102 290 HD21 LEU 540 HD21 LEU 540 -7.610 -3.605 -4.120 291 HD22 LEU 540 HD22 LEU 540 -7.867 -4.433 -2.584 292 HD23 LEU 540 HD23 LEU 540 -6.549 -4.931 -3.645 293 H GLY 541 HN GLY 541 -5.042 -3.234 1.453 294 HA2 GLY 541 HA2 GLY 541 -3.176 -5.171 2.161 295 HA3 GLY 541 HA3 GLY 541 -3.651 -3.810 3.163 296 H LEU 542 HN LEU 542 -6.208 -4.439 3.895 297 HA LEU 542 HA LEU 542 -5.543 -5.890 6.169 298 HB2 LEU 542 HB2 LEU 542 -8.142 -4.944 5.071 299 HB3 LEU 542 HB1 LEU 542 -8.092 -5.907 6.535 300 HG LEU 542 HG LEU 542 -6.555 -3.340 6.183 301 HD11 LEU 542 HD11 LEU 542 -8.910 -2.845 6.036 302 HD12 LEU 542 HD12 LEU 542 -8.294 -2.339 7.608 303 HD13 LEU 542 HD13 LEU 542 -9.236 -3.821 7.465 304 HD21 LEU 542 HD21 LEU 542 -5.669 -4.883 7.858 305 HD22 LEU 542 HD22 LEU 542 -7.254 -4.969 8.621 306 HD23 LEU 542 HD23 LEU 542 -6.363 -3.449 8.609 307 HA PRO 543 HA PRO 543 -8.309 -9.576 4.576 308 HB2 PRO 543 HB2 PRO 543 -7.662 -9.407 1.673 309 HB3 PRO 543 HB1 PRO 543 -9.172 -9.876 2.467 310 HG2 PRO 543 HG2 PRO 543 -9.005 -7.498 1.344 311 HG3 PRO 543 HG3 PRO 543 -9.751 -7.648 2.953 312 HD2 PRO 543 HD2 PRO 543 -6.956 -6.782 2.242 313 HD3 PRO 543 HD3 PRO 543 -8.112 -6.020 3.355 314 H PHE 544 HN PHE 544 -5.175 -8.720 3.124 315 HA PHE 544 HA PHE 544 -4.369 -11.525 3.322 316 HB2 PHE 544 HB2 PHE 544 -2.900 -9.146 2.179 317 HB3 PHE 544 HB3 PHE 544 -2.317 -10.803 2.152 318 HD1 PHE 544 HD1 PHE 544 -3.553 -12.500 0.800 319 HD2 PHE 544 HD2 PHE 544 -4.401 -8.339 0.567 320 HE1 PHE 544 HE1 PHE 544 -4.706 -12.860 -1.344 321 HE2 PHE 544 HE2 PHE 544 -5.558 -8.688 -1.576 322 HZ PHE 544 HZ PHE 544 -5.711 -10.953 -2.534 323 H GLY 545 HN GLY 545 -4.223 -8.635 5.105 324 HA2 GLY 545 HA2 GLY 545 -2.950 -9.790 7.308 325 HA3 GLY 545 HA3 GLY 545 -1.725 -8.925 6.391 326 H LYS 546 HN LYS 546 -2.676 -8.329 9.068 327 HA LYS 546 HA LYS 546 -4.522 -6.192 9.020 328 HB2 LYS 546 HB2 LYS 546 -4.128 -7.425 11.058 329 HB3 LYS 546 HB3 LYS 546 -2.433 -6.967 11.057 330 HG2 LYS 546 HG2 LYS 546 -2.973 -4.692 11.530 331 HG3 LYS 546 HG3 LYS 546 -4.693 -4.999 11.303 332 HD2 LYS 546 HD2 LYS 546 -4.095 -4.846 13.676 333 HD3 LYS 546 HD3 LYS 546 -4.720 -6.440 13.262 334 HE2 LYS 546 HE2 LYS 546 -1.771 -5.960 13.223 335 HE3 LYS 546 HE3 LYS 546 -2.589 -6.183 14.768 336 HZ1 LYS 546 HZ1 LYS 546 -3.428 -8.312 13.961 337 HZ2 LYS 546 HZ2 LYS 546 -1.739 -8.273 13.940 338 HZ3 LYS 546 HZ3 LYS 546 -2.605 -8.105 12.498 339 H VAL 547 HN VAL 547 -4.290 -4.121 8.567 340 HA VAL 547 HA VAL 547 -1.728 -3.121 7.673 341 HB VAL 547 HB VAL 547 -4.505 -1.934 7.636 342 HG11 VAL 547 HG11 VAL 547 -3.657 -0.133 6.292 343 HG12 VAL 547 HG12 VAL 547 -2.027 -0.814 6.331 344 HG13 VAL 547 HG13 VAL 547 -2.753 -0.177 7.806 345 HG21 VAL 547 HG21 VAL 547 -4.182 -2.235 5.160 346 HG22 VAL 547 HG22 VAL 547 -4.350 -3.714 6.099 347 HG23 VAL 547 HG23 VAL 547 -2.757 -3.198 5.547 348 H THR 548 HN THR 548 -0.375 -2.233 9.064 349 HA THR 548 HA THR 548 -1.366 -1.068 11.534 350 HB THR 548 HB THR 548 1.117 -0.866 12.032 351 HG1 THR 548 HG1 THR 548 2.529 -1.656 10.580 352 HG21 THR 548 HG21 THR 548 -0.231 -2.748 12.856 353 HG22 THR 548 HG22 THR 548 1.402 -3.267 12.439 354 HG23 THR 548 HG23 THR 548 0.060 -3.616 11.349 355 H ASN 549 HN ASN 549 0.264 -0.092 8.585 356 HA ASN 549 HA ASN 549 -0.271 2.717 9.226 357 HB2 ASN 549 HB2 ASN 549 2.449 1.652 8.419 358 HB3 ASN 549 HB3 ASN 549 2.017 3.351 8.386 359 HD21 ASN 549 HD21 ASN 549 0.580 3.457 10.819 360 HD22 ASN 549 HD22 ASN 549 1.709 3.225 12.103 361 H TYR 550 HN TYR 550 -0.254 4.098 7.377 362 HA TYR 550 HA TYR 550 0.126 3.025 4.744 363 HB2 TYR 550 HB2 TYR 550 -2.226 3.436 4.018 364 HB3 TYR 550 HB3 TYR 550 -2.076 2.104 5.158 365 HD1 TYR 550 HD1 TYR 550 -3.915 4.959 4.361 366 HD2 TYR 550 HD2 TYR 550 -2.383 2.832 7.706 367 HE1 TYR 550 HE1 TYR 550 -5.595 6.020 5.809 368 HE2 TYR 550 HE2 TYR 550 -4.061 3.880 9.155 369 HH TYR 550 HH TYR 550 -5.523 5.678 9.267 370 H ILE 551 HN ILE 551 0.024 4.683 3.114 371 HA ILE 551 HA ILE 551 -0.199 7.442 4.059 372 HB ILE 551 HB ILE 551 2.249 6.414 2.612 373 HG12 ILE 551 HG12 ILE 551 2.059 7.248 5.519 374 HG13 ILE 551 HG13 ILE 551 2.155 5.580 4.967 375 HG21 ILE 551 HG21 ILE 551 1.652 9.091 3.855 376 HG22 ILE 551 HG22 ILE 551 1.730 8.726 2.130 377 HG23 ILE 551 HG23 ILE 551 3.187 8.624 3.122 378 HD11 ILE 551 HD11 ILE 551 4.306 6.383 5.742 379 HD12 ILE 551 HD12 ILE 551 4.256 7.695 4.564 380 HD13 ILE 551 HD13 ILE 551 4.354 6.021 4.017 381 H LEU 552 HN LEU 552 -1.262 8.579 2.422 382 HA LEU 552 HA LEU 552 -1.244 7.263 -0.203 383 HB2 LEU 552 HB2 LEU 552 -3.385 8.996 1.014 384 HB3 LEU 552 HB1 LEU 552 -3.390 8.411 -0.638 385 HG LEU 552 HG LEU 552 -3.724 6.841 1.897 386 HD11 LEU 552 HD11 LEU 552 -5.763 6.126 0.583 387 HD12 LEU 552 HD12 LEU 552 -5.382 7.447 -0.518 388 HD13 LEU 552 HD13 LEU 552 -5.732 7.783 1.177 389 HD21 LEU 552 HD21 LEU 552 -2.213 5.567 0.486 390 HD22 LEU 552 HD22 LEU 552 -3.299 5.772 -0.890 391 HD23 LEU 552 HD23 LEU 552 -3.813 4.826 0.509 392 H MET 553 HN MET 553 -0.240 8.368 -1.795 393 HA MET 553 HA MET 553 0.260 11.224 -1.256 394 HB2 MET 553 HB2 MET 553 1.869 9.329 -2.982 395 HB3 MET 553 HB3 MET 553 2.222 11.030 -2.726 396 HG2 MET 553 HG2 MET 553 2.626 10.599 -0.364 397 HG3 MET 553 HG3 MET 553 2.256 8.892 -0.611 398 HE1 MET 553 HE1 MET 553 3.633 8.379 -3.481 399 HE2 MET 553 HE2 MET 553 3.706 7.274 -2.111 400 HE3 MET 553 HE3 MET 553 5.188 7.752 -2.939 401 H LYS 554 HN LYS 554 -1.886 11.475 -2.115 402 HA LYS 554 HA LYS 554 -2.786 11.028 -4.590 403 HB2 LYS 554 HB2 LYS 554 -3.225 13.809 -3.688 404 HB3 LYS 554 HB3 LYS 554 -4.385 12.587 -4.182 405 HG2 LYS 554 HG2 LYS 554 -3.023 12.780 -1.498 406 HG3 LYS 554 HG3 LYS 554 -4.700 13.181 -1.855 407 HD2 LYS 554 HD2 LYS 554 -5.038 10.795 -2.523 408 HD3 LYS 554 HD3 LYS 554 -3.410 10.448 -1.940 409 HE2 LYS 554 HE2 LYS 554 -5.804 11.373 -0.361 410 HE3 LYS 554 HE3 LYS 554 -4.897 9.874 -0.186 411 HZ1 LYS 554 HZ1 LYS 554 -3.986 12.610 0.510 412 HZ2 LYS 554 HZ2 LYS 554 -2.967 11.256 0.510 413 HZ3 LYS 554 HZ3 LYS 554 -4.281 11.327 1.573 414 H SER 555 HN SER 555 -0.103 13.116 -3.849 415 HA SER 555 HA SER 555 -0.400 14.839 -6.092 416 HB2 SER 555 HB2 SER 555 1.890 15.582 -5.450 417 HB3 SER 555 HB3 SER 555 0.744 15.621 -4.111 418 HG SER 555 HG SER 555 3.055 14.372 -4.202 419 H THR 556 HN THR 556 1.565 11.958 -5.379 420 HA THR 556 HA THR 556 2.650 12.047 -8.086 421 HB THR 556 HB THR 556 4.139 10.203 -7.278 422 HG1 THR 556 HG1 THR 556 4.147 10.166 -4.830 423 HG21 THR 556 HG21 THR 556 4.896 12.521 -7.235 424 HG22 THR 556 HG22 THR 556 5.521 11.632 -5.846 425 HG23 THR 556 HG23 THR 556 4.164 12.740 -5.646 426 H ASN 557 HN ASN 557 -0.081 10.882 -6.862 427 HA ASN 557 HA ASN 557 -1.557 9.225 -7.364 428 HB2 ASN 557 HB2 ASN 557 0.222 8.904 -9.797 429 HB3 ASN 557 HB3 ASN 557 -1.343 8.124 -9.598 430 HD21 ASN 557 HD21 ASN 557 0.322 11.115 -10.153 431 HD22 ASN 557 HD22 ASN 557 -1.060 12.033 -10.639 432 H GLN 558 HN GLN 558 0.413 8.634 -5.567 433 HA GLN 558 HA GLN 558 0.820 5.757 -5.941 434 HB2 GLN 558 HB2 GLN 558 3.012 7.705 -5.191 435 HB3 GLN 558 HB3 GLN 558 3.159 5.954 -5.125 436 HG2 GLN 558 HG2 GLN 558 2.905 5.801 -7.512 437 HG3 GLN 558 HG3 GLN 558 2.597 7.534 -7.620 438 HE21 GLN 558 HE21 GLN 558 4.320 7.907 -8.978 439 HE22 GLN 558 HE22 GLN 558 5.964 7.821 -8.442 440 H ALA 559 HN ALA 559 1.557 4.728 -3.800 441 HA ALA 559 HA ALA 559 0.977 6.269 -1.435 442 HB1 ALA 559 HB1 ALA 559 -1.261 5.771 -2.156 443 HB2 ALA 559 HB2 ALA 559 -0.874 4.825 -0.713 444 HB3 ALA 559 HB3 ALA 559 -0.867 4.056 -2.307 445 H PHE 560 HN PHE 560 1.159 4.971 0.513 446 HA PHE 560 HA PHE 560 2.874 2.587 0.162 447 HB2 PHE 560 HB2 PHE 560 3.004 4.706 2.311 448 HB3 PHE 560 HB3 PHE 560 3.869 3.182 2.393 449 HD1 PHE 560 HD1 PHE 560 5.593 2.672 0.638 450 HD2 PHE 560 HD2 PHE 560 3.876 6.535 1.134 451 HE1 PHE 560 HE1 PHE 560 7.486 3.667 -0.578 452 HE2 PHE 560 HE2 PHE 560 5.764 7.533 -0.088 453 HZ PHE 560 HZ PHE 560 7.571 6.101 -0.944 454 H LEU 561 HN LEU 561 2.507 0.823 1.456 455 HA LEU 561 HA LEU 561 0.261 0.968 3.343 456 HB2 LEU 561 HB2 LEU 561 -0.617 0.103 1.243 457 HB3 LEU 561 HB1 LEU 561 0.660 -1.088 1.166 458 HG LEU 561 HG LEU 561 -0.278 -2.163 3.204 459 HD11 LEU 561 HD11 LEU 561 -2.521 -0.192 2.777 460 HD12 LEU 561 HD12 LEU 561 -1.417 -0.234 4.153 461 HD13 LEU 561 HD13 LEU 561 -2.552 -1.559 3.891 462 HD21 LEU 561 HD21 LEU 561 -2.078 -3.256 2.048 463 HD22 LEU 561 HD22 LEU 561 -0.813 -2.888 0.871 464 HD23 LEU 561 HD23 LEU 561 -2.267 -1.891 0.951 465 H GLU 562 HN GLU 562 0.998 0.361 5.231 466 HA GLU 562 HA GLU 562 3.231 -1.541 5.389 467 HB2 GLU 562 HB2 GLU 562 2.841 0.861 6.658 468 HB3 GLU 562 HB3 GLU 562 2.335 -0.293 7.885 469 HG2 GLU 562 HG2 GLU 562 4.982 -0.381 6.459 470 HG3 GLU 562 HG3 GLU 562 4.716 0.371 8.030 471 H MET 563 HN MET 563 3.102 -3.417 6.527 472 HA MET 563 HA MET 563 0.357 -4.281 7.160 473 HB2 MET 563 HB2 MET 563 2.467 -5.920 5.743 474 HB3 MET 563 HB3 MET 563 0.780 -6.357 6.007 475 HG2 MET 563 HG2 MET 563 0.007 -4.789 4.455 476 HG3 MET 563 HG3 MET 563 1.534 -3.912 4.449 477 HE1 MET 563 HE1 MET 563 1.722 -3.829 1.804 478 HE2 MET 563 HE2 MET 563 0.106 -4.538 1.775 479 HE3 MET 563 HE3 MET 563 1.390 -5.230 0.783 480 H ALA 564 HN ALA 564 0.402 -6.391 8.506 481 HA ALA 564 HA ALA 564 1.886 -5.728 10.832 482 HB1 ALA 564 HB1 ALA 564 0.266 -8.197 10.222 483 HB2 ALA 564 HB2 ALA 564 -0.328 -6.716 10.974 484 HB3 ALA 564 HB3 ALA 564 0.853 -7.718 11.813 485 H TYR 565 HN TYR 565 2.188 -8.261 8.400 486 HA TYR 565 HA TYR 565 4.873 -8.843 9.435 487 HB2 TYR 565 HB2 TYR 565 2.788 -10.863 8.585 488 HB3 TYR 565 HB3 TYR 565 4.479 -11.252 8.873 489 HD1 TYR 565 HD1 TYR 565 1.275 -10.428 10.417 490 HD2 TYR 565 HD2 TYR 565 5.391 -11.229 11.144 491 HE1 TYR 565 HE1 TYR 565 0.783 -10.760 12.801 492 HE2 TYR 565 HE2 TYR 565 4.908 -11.562 13.531 493 HH TYR 565 HH TYR 565 3.266 -10.987 15.172 494 H THR 566 HN THR 566 6.385 -9.398 7.941 495 HA THR 566 HA THR 566 6.257 -8.217 5.416 496 HB THR 566 HB THR 566 8.372 -8.670 6.617 497 HG1 THR 566 HG1 THR 566 9.505 -8.921 4.770 498 HG21 THR 566 HG21 THR 566 7.932 -11.533 5.760 499 HG22 THR 566 HG22 THR 566 7.899 -10.929 7.416 500 HG23 THR 566 HG23 THR 566 9.401 -10.891 6.495 501 H GLU 567 HN GLU 567 5.410 -11.423 6.450 502 HA GLU 567 HA GLU 567 5.365 -12.768 4.007 503 HB2 GLU 567 HB2 GLU 567 3.793 -14.302 5.072 504 HB3 GLU 567 HB3 GLU 567 5.122 -13.903 6.148 505 HG2 GLU 567 HG2 GLU 567 3.590 -12.188 7.202 506 HG3 GLU 567 HG3 GLU 567 2.288 -12.924 6.263 507 H ALA 568 HN ALA 568 3.154 -10.444 5.359 508 HA ALA 568 HA ALA 568 0.971 -11.065 3.588 509 HB1 ALA 568 HB1 ALA 568 1.481 -8.623 5.283 510 HB2 ALA 568 HB2 ALA 568 0.514 -10.028 5.735 511 HB3 ALA 568 HB3 ALA 568 -0.018 -8.974 4.424 512 H ALA 569 HN ALA 569 3.672 -8.838 3.665 513 HA ALA 569 HA ALA 569 2.864 -7.142 1.569 514 HB1 ALA 569 HB1 ALA 569 5.652 -7.798 2.516 515 HB2 ALA 569 HB2 ALA 569 4.606 -6.543 3.181 516 HB3 ALA 569 HB3 ALA 569 5.193 -6.415 1.522 517 H GLN 570 HN GLN 570 4.904 -10.024 1.649 518 HA GLN 570 HA GLN 570 5.508 -9.950 -1.127 519 HB2 GLN 570 HB2 GLN 570 6.288 -12.301 -0.779 520 HB3 GLN 570 HB3 GLN 570 7.005 -11.134 0.322 521 HG2 GLN 570 HG2 GLN 570 5.437 -11.831 2.067 522 HG3 GLN 570 HG3 GLN 570 4.752 -13.021 0.963 523 HE21 GLN 570 HE21 GLN 570 5.287 -14.719 2.335 524 HE22 GLN 570 HE22 GLN 570 6.916 -15.270 2.516 525 H ALA 571 HN ALA 571 3.016 -11.501 0.818 526 HA ALA 571 HA ALA 571 1.986 -13.224 -1.141 527 HB1 ALA 571 HB1 ALA 571 1.480 -13.422 1.250 528 HB2 ALA 571 HB2 ALA 571 0.013 -13.362 0.273 529 HB3 ALA 571 HB3 ALA 571 0.535 -11.935 1.168 530 H MET 572 HN MET 572 1.117 -9.889 -0.262 531 HA MET 572 HA MET 572 -1.036 -9.685 -2.085 532 HB2 MET 572 HB2 MET 572 0.696 -7.433 -1.052 533 HB3 MET 572 HB3 MET 572 -0.910 -7.282 -1.750 534 HG2 MET 572 HG2 MET 572 -1.747 -8.710 0.140 535 HG3 MET 572 HG3 MET 572 -0.149 -8.536 0.865 536 HE1 MET 572 HE1 MET 572 -2.318 -7.566 2.852 537 HE2 MET 572 HE2 MET 572 -1.489 -6.073 3.279 538 HE3 MET 572 HE3 MET 572 -0.558 -7.529 2.930 539 H VAL 573 HN VAL 573 2.400 -8.818 -2.343 540 HA VAL 573 HA VAL 573 2.294 -7.684 -4.897 541 HB VAL 573 HB VAL 573 4.563 -9.218 -3.604 542 HG11 VAL 573 HG11 VAL 573 4.867 -9.129 -6.017 543 HG12 VAL 573 HG12 VAL 573 6.022 -8.068 -5.209 544 HG13 VAL 573 HG13 VAL 573 4.601 -7.386 -6.002 545 HG21 VAL 573 HG21 VAL 573 3.888 -7.260 -2.329 546 HG22 VAL 573 HG22 VAL 573 4.005 -6.257 -3.775 547 HG23 VAL 573 HG23 VAL 573 5.456 -6.990 -3.089 548 H GLN 574 HN GLN 574 2.852 -11.050 -3.894 549 HA GLN 574 HA GLN 574 3.242 -12.113 -6.464 550 HB2 GLN 574 HB2 GLN 574 2.095 -13.448 -4.005 551 HB3 GLN 574 HB3 GLN 574 2.634 -14.293 -5.447 552 HG2 GLN 574 HG2 GLN 574 4.327 -12.694 -3.547 553 HG3 GLN 574 HG3 GLN 574 4.324 -14.443 -3.756 554 HE21 GLN 574 HE21 GLN 574 5.355 -11.408 -5.037 555 HE22 GLN 574 HE22 GLN 574 6.429 -12.033 -6.225 556 H TYR 575 HN TYR 575 0.338 -11.496 -4.604 557 HA TYR 575 HA TYR 575 -1.426 -12.931 -6.320 558 HB2 TYR 575 HB2 TYR 575 -2.027 -12.443 -3.998 559 HB3 TYR 575 HB3 TYR 575 -2.015 -10.718 -4.341 560 HD1 TYR 575 HD1 TYR 575 -3.981 -9.654 -5.024 561 HD2 TYR 575 HD2 TYR 575 -3.699 -13.887 -5.326 562 HE1 TYR 575 HE1 TYR 575 -6.357 -9.763 -5.645 563 HE2 TYR 575 HE2 TYR 575 -6.074 -14.008 -5.947 564 HH TYR 575 HH TYR 575 -8.108 -12.684 -5.709 565 H TYR 576 HN TYR 576 -0.783 -9.448 -5.913 566 HA TYR 576 HA TYR 576 -2.473 -8.722 -8.067 567 HB2 TYR 576 HB2 TYR 576 -0.396 -7.121 -6.575 568 HB3 TYR 576 HB3 TYR 576 -1.503 -6.437 -7.770 569 HD1 TYR 576 HD1 TYR 576 -4.069 -7.241 -7.308 570 HD2 TYR 576 HD2 TYR 576 -1.020 -6.839 -4.376 571 HE1 TYR 576 HE1 TYR 576 -5.786 -6.918 -5.576 572 HE2 TYR 576 HE2 TYR 576 -2.724 -6.523 -2.635 573 HH TYR 576 HH TYR 576 -5.073 -5.761 -2.484 574 H GLN 577 HN GLN 577 0.722 -9.886 -8.065 575 HA GLN 577 HA GLN 577 1.553 -8.736 -10.534 576 HB2 GLN 577 HB2 GLN 577 2.340 -11.280 -9.127 577 HB3 GLN 577 HB3 GLN 577 2.997 -10.846 -10.698 578 HG2 GLN 577 HG2 GLN 577 3.880 -8.772 -9.744 579 HG3 GLN 577 HG3 GLN 577 3.242 -9.238 -8.168 580 HE21 GLN 577 HE21 GLN 577 5.977 -8.720 -9.049 581 HE22 GLN 577 HE22 GLN 577 6.880 -10.142 -8.660 582 H GLU 578 HN GLU 578 -0.209 -11.678 -9.690 583 HA GLU 578 HA GLU 578 -0.613 -12.285 -12.507 584 HB2 GLU 578 HB2 GLU 578 -1.547 -13.751 -10.034 585 HB3 GLU 578 HB3 GLU 578 -1.694 -14.337 -11.687 586 HG2 GLU 578 HG2 GLU 578 0.790 -14.248 -11.858 587 HG3 GLU 578 HG3 GLU 578 0.836 -13.852 -10.142 588 H LYS 579 HN LYS 579 -2.560 -11.336 -9.673 589 HA LYS 579 HA LYS 579 -4.654 -10.486 -11.560 590 HB2 LYS 579 HB2 LYS 579 -5.008 -11.566 -8.751 591 HB3 LYS 579 HB3 LYS 579 -6.295 -10.925 -9.762 592 HG2 LYS 579 HG2 LYS 579 -5.938 -12.728 -11.369 593 HG3 LYS 579 HG3 LYS 579 -4.635 -13.366 -10.364 594 HD2 LYS 579 HD2 LYS 579 -6.624 -14.636 -9.927 595 HD3 LYS 579 HD3 LYS 579 -6.275 -13.643 -8.515 596 HE2 LYS 579 HE2 LYS 579 -8.645 -13.590 -8.990 597 HE3 LYS 579 HE3 LYS 579 -7.943 -12.001 -9.283 598 HZ1 LYS 579 HZ1 LYS 579 -8.529 -14.016 -11.386 599 HZ2 LYS 579 HZ2 LYS 579 -7.940 -12.452 -11.638 600 HZ3 LYS 579 HZ3 LYS 579 -9.498 -12.677 -11.027 601 HA PRO 580 HA PRO 580 -3.074 -6.766 -9.386 602 HB2 PRO 580 HB2 PRO 580 -3.772 -5.019 -11.341 603 HB3 PRO 580 HB1 PRO 580 -2.284 -5.969 -11.390 604 HG2 PRO 580 HG2 PRO 580 -4.892 -6.470 -12.762 605 HG3 PRO 580 HG3 PRO 580 -3.245 -6.613 -13.401 606 HD2 PRO 580 HD2 PRO 580 -4.675 -8.759 -12.590 607 HD3 PRO 580 HD3 PRO 580 -2.909 -8.675 -12.425 608 H ALA 581 HN ALA 581 -4.129 -4.901 -8.510 609 HA ALA 581 HA ALA 581 -7.024 -5.202 -8.281 610 HB1 ALA 581 HB1 ALA 581 -5.163 -3.278 -6.881 611 HB2 ALA 581 HB2 ALA 581 -5.689 -4.834 -6.241 612 HB3 ALA 581 HB3 ALA 581 -6.865 -3.546 -6.503 613 H ILE 582 HN ILE 582 -8.434 -3.902 -9.325 614 HA ILE 582 HA ILE 582 -7.237 -1.925 -11.125 615 HB ILE 582 HB ILE 582 -9.967 -3.210 -11.306 616 HG12 ILE 582 HG12 ILE 582 -7.428 -3.839 -12.832 617 HG13 ILE 582 HG13 ILE 582 -8.116 -4.843 -11.562 618 HG21 ILE 582 HG21 ILE 582 -9.960 -2.334 -13.592 619 HG22 ILE 582 HG22 ILE 582 -8.400 -1.570 -13.296 620 HG23 ILE 582 HG23 ILE 582 -9.825 -1.037 -12.404 621 HD11 ILE 582 HD11 ILE 582 -10.090 -5.234 -12.924 622 HD12 ILE 582 HD12 ILE 582 -8.624 -5.706 -13.783 623 HD13 ILE 582 HD13 ILE 582 -9.436 -4.193 -14.188 624 H ILE 583 HN ILE 583 -7.469 0.137 -10.704 625 HA ILE 583 HA ILE 583 -9.916 1.067 -9.355 626 HB ILE 583 HB ILE 583 -7.096 2.085 -8.948 627 HG12 ILE 583 HG12 ILE 583 -7.734 0.109 -7.596 628 HG13 ILE 583 HG13 ILE 583 -7.452 1.538 -6.607 629 HG21 ILE 583 HG21 ILE 583 -8.065 3.805 -7.508 630 HG22 ILE 583 HG22 ILE 583 -9.684 3.251 -7.936 631 HG23 ILE 583 HG23 ILE 583 -8.640 3.957 -9.170 632 HD11 ILE 583 HD11 ILE 583 -9.883 1.898 -6.498 633 HD12 ILE 583 HD12 ILE 583 -9.374 0.361 -5.796 634 HD13 ILE 583 HD13 ILE 583 -10.117 0.397 -7.394 635 H ASN 584 HN ASN 584 -11.045 2.250 -10.761 636 HA ASN 584 HA ASN 584 -11.610 3.633 -12.466 637 HB2 ASN 584 HB2 ASN 584 -8.901 4.835 -11.865 638 HB3 ASN 584 HB3 ASN 584 -10.072 5.544 -12.968 639 HD21 ASN 584 HD21 ASN 584 -10.213 7.404 -11.761 640 HD22 ASN 584 HD22 ASN 584 -11.019 7.472 -10.230 641 H GLY 585 HN GLY 585 -10.299 1.129 -13.013 642 HA2 GLY 585 HA2 GLY 585 -9.845 0.018 -14.973 643 HA3 GLY 585 HA3 GLY 585 -9.792 1.562 -15.808 644 H GLU 586 HN GLU 586 -7.802 1.699 -13.122 645 HA GLU 586 HA GLU 586 -5.476 1.056 -14.798 646 HB2 GLU 586 HB2 GLU 586 -5.711 2.951 -12.458 647 HB3 GLU 586 HB3 GLU 586 -4.196 2.544 -13.250 648 HG2 GLU 586 HG2 GLU 586 -5.355 3.347 -15.401 649 HG3 GLU 586 HG3 GLU 586 -6.512 4.109 -14.311 650 H LYS 587 HN LYS 587 -4.263 -0.590 -14.273 651 HA LYS 587 HA LYS 587 -4.835 -2.267 -12.054 652 HB2 LYS 587 HB2 LYS 587 -2.281 -2.354 -13.635 653 HB3 LYS 587 HB3 LYS 587 -3.143 -3.687 -12.884 654 HG2 LYS 587 HG2 LYS 587 -3.999 -2.153 -15.330 655 HG3 LYS 587 HG3 LYS 587 -3.346 -3.790 -15.288 656 HD2 LYS 587 HD2 LYS 587 -5.306 -4.451 -13.890 657 HD3 LYS 587 HD3 LYS 587 -5.975 -2.840 -14.162 658 HE2 LYS 587 HE2 LYS 587 -5.317 -4.885 -16.278 659 HE3 LYS 587 HE3 LYS 587 -6.930 -4.444 -15.724 660 HZ1 LYS 587 HZ1 LYS 587 -6.603 -2.228 -16.588 661 HZ2 LYS 587 HZ2 LYS 587 -6.326 -3.358 -17.816 662 HZ3 LYS 587 HZ3 LYS 587 -5.020 -2.598 -17.058 663 H LEU 588 HN LEU 588 -4.137 -2.048 -10.004 664 HA LEU 588 HA LEU 588 -2.097 -0.136 -9.344 665 HB2 LEU 588 HB2 LEU 588 -3.471 -2.156 -7.577 666 HB3 LEU 588 HB1 LEU 588 -2.514 -0.793 -7.034 667 HG LEU 588 HG LEU 588 -5.182 -0.685 -8.430 668 HD11 LEU 588 HD11 LEU 588 -5.355 -1.277 -6.112 669 HD12 LEU 588 HD12 LEU 588 -5.879 0.392 -6.320 670 HD13 LEU 588 HD13 LEU 588 -4.287 0.045 -5.651 671 HD21 LEU 588 HD21 LEU 588 -3.775 1.134 -9.220 672 HD22 LEU 588 HD22 LEU 588 -3.390 1.575 -7.556 673 HD23 LEU 588 HD23 LEU 588 -5.042 1.741 -8.154 674 H LEU 589 HN LEU 589 -0.049 -0.488 -8.732 675 HA LEU 589 HA LEU 589 0.920 -3.268 -8.860 676 HB2 LEU 589 HB2 LEU 589 1.799 -1.798 -10.640 677 HB3 LEU 589 HB1 LEU 589 2.456 -0.727 -9.418 678 HG LEU 589 HG LEU 589 3.921 -2.579 -8.641 679 HD11 LEU 589 HD11 LEU 589 4.186 -4.534 -10.114 680 HD12 LEU 589 HD12 LEU 589 2.791 -3.992 -11.048 681 HD13 LEU 589 HD13 LEU 589 2.594 -4.466 -9.361 682 HD21 LEU 589 HD21 LEU 589 5.454 -2.500 -10.544 683 HD22 LEU 589 HD22 LEU 589 4.757 -0.912 -10.211 684 HD23 LEU 589 HD23 LEU 589 4.156 -1.875 -11.562 685 H ILE 590 HN ILE 590 1.217 -4.031 -6.862 686 HA ILE 590 HA ILE 590 2.257 -2.244 -4.789 687 HB ILE 590 HB ILE 590 1.170 -5.057 -4.520 688 HG12 ILE 590 HG12 ILE 590 -0.077 -2.347 -4.043 689 HG13 ILE 590 HG13 ILE 590 -0.627 -3.602 -5.141 690 HG21 ILE 590 HG21 ILE 590 2.781 -4.530 -2.777 691 HG22 ILE 590 HG22 ILE 590 1.150 -4.591 -2.110 692 HG23 ILE 590 HG23 ILE 590 1.922 -3.035 -2.413 693 HD11 ILE 590 HD11 ILE 590 -0.732 -3.652 -2.127 694 HD12 ILE 590 HD12 ILE 590 -1.143 -5.018 -3.171 695 HD13 ILE 590 HD13 ILE 590 -2.089 -3.532 -3.256 696 H ARG 591 HN ARG 591 4.294 -2.408 -4.049 697 HA ARG 591 HA ARG 591 5.931 -4.741 -4.670 698 HB2 ARG 591 HB2 ARG 591 6.442 -1.975 -5.763 699 HB3 ARG 591 HB3 ARG 591 7.732 -3.153 -5.574 700 HG2 ARG 591 HG2 ARG 591 5.256 -3.638 -7.210 701 HG3 ARG 591 HG3 ARG 591 6.763 -2.998 -7.868 702 HD2 ARG 591 HD2 ARG 591 6.416 -5.660 -6.487 703 HD3 ARG 591 HD3 ARG 591 6.589 -5.409 -8.223 704 HE ARG 591 HE ARG 591 8.760 -4.368 -6.612 705 HH11 ARG 591 HH11 ARG 591 7.543 -7.071 -8.468 706 HH12 ARG 591 HH12 ARG 591 9.101 -7.808 -8.658 707 HH21 ARG 591 HH21 ARG 591 10.817 -5.321 -6.886 708 HH22 ARG 591 HH22 ARG 591 10.962 -6.806 -7.776 709 H MET 592 HN MET 592 8.002 -4.692 -3.554 710 HA MET 592 HA MET 592 7.841 -3.294 -1.012 711 HB2 MET 592 HB2 MET 592 9.857 -5.253 -2.124 712 HB3 MET 592 HB3 MET 592 10.013 -4.501 -0.544 713 HG2 MET 592 HG2 MET 592 7.848 -5.507 0.103 714 HG3 MET 592 HG3 MET 592 7.804 -6.332 -1.454 715 HE1 MET 592 HE1 MET 592 8.582 -9.196 1.141 716 HE2 MET 592 HE2 MET 592 7.477 -8.638 -0.115 717 HE3 MET 592 HE3 MET 592 7.580 -7.771 1.418 718 H SER 593 HN SER 593 8.899 -1.428 -0.544 719 HA SER 593 HA SER 593 10.070 0.010 -2.694 720 HB2 SER 593 HB2 SER 593 8.826 1.163 -0.944 721 HB3 SER 593 HB3 SER 593 10.020 0.668 0.256 722 HG SER 593 HG SER 593 10.100 2.710 -1.574 723 H THR 594 HN THR 594 12.071 0.431 -3.195 724 HA THR 594 HA THR 594 14.152 -1.219 -2.011 725 HB THR 594 HB THR 594 15.506 -0.316 -3.971 726 HG1 THR 594 HG1 THR 594 14.583 1.292 -4.984 727 HG21 THR 594 HG21 THR 594 14.477 -2.528 -4.015 728 HG22 THR 594 HG22 THR 594 14.365 -1.766 -5.602 729 HG23 THR 594 HG23 THR 594 12.952 -1.823 -4.548 730 H ARG 595 HN ARG 595 13.001 1.909 -1.599 731 HA ARG 595 HA ARG 595 15.691 3.022 -1.178 732 HB2 ARG 595 HB2 ARG 595 13.066 4.474 -1.516 733 HB3 ARG 595 HB3 ARG 595 14.650 5.226 -1.363 734 HG2 ARG 595 HG2 ARG 595 15.353 4.165 -3.449 735 HG3 ARG 595 HG3 ARG 595 13.764 3.412 -3.595 736 HD2 ARG 595 HD2 ARG 595 12.737 5.647 -3.672 737 HD3 ARG 595 HD3 ARG 595 14.342 6.370 -3.581 738 HE ARG 595 HE ARG 595 14.134 4.538 -5.755 739 HH11 ARG 595 HH11 ARG 595 13.336 7.800 -4.757 740 HH12 ARG 595 HH12 ARG 595 13.290 8.420 -6.376 741 HH21 ARG 595 HH21 ARG 595 14.095 5.351 -7.882 742 HH22 ARG 595 HH22 ARG 595 13.718 7.024 -8.158 743 H TYR 596 HN TYR 596 12.667 2.361 0.458 744 HA TYR 596 HA TYR 596 13.813 3.549 2.901 745 HB2 TYR 596 HB2 TYR 596 10.958 3.590 1.931 746 HB3 TYR 596 HB3 TYR 596 11.406 3.965 3.592 747 HD1 TYR 596 HD1 TYR 596 11.429 5.140 0.135 748 HD2 TYR 596 HD2 TYR 596 12.681 5.984 4.111 749 HE1 TYR 596 HE1 TYR 596 11.890 7.469 -0.508 750 HE2 TYR 596 HE2 TYR 596 13.140 8.314 3.480 751 HH TYR 596 HH TYR 596 13.688 9.575 1.385 752 H LYS 597 HN LYS 597 13.312 2.604 4.894 753 HA LYS 597 HA LYS 597 12.729 -0.265 4.667 754 HB2 LYS 597 HB2 LYS 597 14.348 1.206 6.755 755 HB3 LYS 597 HB3 LYS 597 13.991 -0.515 6.794 756 HG2 LYS 597 HG2 LYS 597 16.145 -0.400 5.927 757 HG3 LYS 597 HG3 LYS 597 15.126 -0.607 4.501 758 HD2 LYS 597 HD2 LYS 597 15.146 1.956 4.365 759 HD3 LYS 597 HD3 LYS 597 16.505 1.865 5.488 760 HE2 LYS 597 HE2 LYS 597 17.709 0.441 3.923 761 HE3 LYS 597 HE3 LYS 597 16.339 0.508 2.813 762 HZ1 LYS 597 HZ1 LYS 597 16.671 2.854 2.541 763 HZ2 LYS 597 HZ2 LYS 597 18.136 2.067 2.234 764 HZ3 LYS 597 HZ3 LYS 597 17.900 2.873 3.702 765 H GLU 598 HN GLU 598 11.681 2.684 6.172 766 HA GLU 598 HA GLU 598 9.604 1.150 7.558 767 HB2 GLU 598 HB2 GLU 598 11.410 1.562 9.190 768 HB3 GLU 598 HB3 GLU 598 11.279 3.288 8.887 769 HG2 GLU 598 HG2 GLU 598 8.904 3.158 9.677 770 HG3 GLU 598 HG3 GLU 598 9.233 1.491 10.163 771 H LEU 599 HN LEU 599 7.713 2.243 7.929 772 HA LEU 599 HA LEU 599 7.425 4.831 6.569 773 HB2 LEU 599 HB2 LEU 599 5.327 2.765 7.240 774 HB3 LEU 599 HB1 LEU 599 5.024 4.287 6.421 775 HG LEU 599 HG LEU 599 6.695 2.007 5.364 776 HD11 LEU 599 HD11 LEU 599 4.940 1.826 3.679 777 HD12 LEU 599 HD12 LEU 599 4.020 3.083 4.507 778 HD13 LEU 599 HD13 LEU 599 4.313 1.536 5.302 779 HD21 LEU 599 HD21 LEU 599 7.561 4.194 4.680 780 HD22 LEU 599 HD22 LEU 599 5.963 4.624 4.067 781 HD23 LEU 599 HD23 LEU 599 6.867 3.305 3.327 782 H GLN 600 HN GLN 600 7.048 6.573 7.724 783 HA GLN 600 HA GLN 600 6.026 6.253 10.461 784 HB2 GLN 600 HB2 GLN 600 8.312 7.120 10.425 785 HB3 GLN 600 HB3 GLN 600 7.824 8.408 9.333 786 HG2 GLN 600 HG2 GLN 600 6.436 9.386 11.048 787 HG3 GLN 600 HG3 GLN 600 6.804 8.053 12.142 788 HE21 GLN 600 HE21 GLN 600 8.008 10.937 10.629 789 HE22 GLN 600 HE22 GLN 600 9.422 11.107 11.607 790 H LEU 601 HN LEU 601 4.070 7.135 10.868 791 HA LEU 601 HA LEU 601 2.680 8.439 8.726 792 HB2 LEU 601 HB2 LEU 601 1.853 7.884 11.573 793 HB3 LEU 601 HB1 LEU 601 0.800 8.592 10.366 794 HG LEU 601 HG LEU 601 1.954 5.807 10.363 795 HD11 LEU 601 HD11 LEU 601 0.042 6.126 11.833 796 HD12 LEU 601 HD12 LEU 601 -0.397 5.141 10.439 797 HD13 LEU 601 HD13 LEU 601 -0.878 6.837 10.505 798 HD21 LEU 601 HD21 LEU 601 0.337 7.219 8.245 799 HD22 LEU 601 HD22 LEU 601 0.659 5.486 8.283 800 HD23 LEU 601 HD23 LEU 601 1.992 6.625 8.093 801 H LYS 602 HN LYS 602 3.539 10.411 8.290 802 HA LYS 602 HA LYS 602 3.837 12.429 10.330 803 HB2 LYS 602 HB2 LYS 602 3.793 12.682 7.313 804 HB3 LYS 602 HB3 LYS 602 4.280 13.944 8.435 805 HG2 LYS 602 HG2 LYS 602 6.154 12.561 9.176 806 HG3 LYS 602 HG3 LYS 602 5.659 11.291 8.058 807 HD2 LYS 602 HD2 LYS 602 5.950 12.909 6.191 808 HD3 LYS 602 HD3 LYS 602 6.591 14.071 7.354 809 HE2 LYS 602 HE2 LYS 602 8.395 12.533 7.915 810 HE3 LYS 602 HE3 LYS 602 7.742 11.341 6.792 811 HZ1 LYS 602 HZ1 LYS 602 8.092 12.971 4.996 812 HZ2 LYS 602 HZ2 LYS 602 9.532 12.499 5.745 813 HZ3 LYS 602 HZ3 LYS 602 8.852 14.005 6.100 814 H LYS 603 HN LYS 603 1.408 11.234 8.241 815 HA LYS 603 HA LYS 603 -0.443 13.341 9.133 816 HB2 LYS 603 HB2 LYS 603 -0.659 11.612 6.658 817 HB3 LYS 603 HB3 LYS 603 -1.786 12.870 7.143 818 HG2 LYS 603 HG2 LYS 603 1.072 13.246 6.277 819 HG3 LYS 603 HG3 LYS 603 -0.381 13.683 5.375 820 HD2 LYS 603 HD2 LYS 603 -0.972 15.242 7.229 821 HD3 LYS 603 HD3 LYS 603 0.591 14.884 7.964 822 HE2 LYS 603 HE2 LYS 603 0.791 16.919 6.719 823 HE3 LYS 603 HE3 LYS 603 1.684 15.657 5.873 824 HZ1 LYS 603 HZ1 LYS 603 0.387 16.975 4.330 825 HZ2 LYS 603 HZ2 LYS 603 -1.034 16.639 5.178 826 HZ3 LYS 603 HZ3 LYS 603 -0.217 15.395 4.374 827 HA PRO 604 HA PRO 604 -2.260 9.979 11.379 828 HB2 PRO 604 HB2 PRO 604 -4.507 11.226 12.218 829 HB3 PRO 604 HB1 PRO 604 -2.913 11.576 12.899 830 HG2 PRO 604 HG2 PRO 604 -4.462 13.094 10.833 831 HG3 PRO 604 HG3 PRO 604 -3.536 13.712 12.214 832 HD2 PRO 604 HD2 PRO 604 -2.565 13.689 9.674 833 HD3 PRO 604 HD3 PRO 604 -1.526 13.536 11.105 834 H GLY 605 HN GLY 605 -4.349 8.786 11.492 835 HA2 GLY 605 HA2 GLY 605 -6.008 8.987 9.097 836 HA3 GLY 605 HA3 GLY 605 -5.099 7.500 9.345 837 H LYS 606 HN LYS 606 -7.725 7.253 9.180 838 HA LYS 606 HA LYS 606 -8.990 7.350 11.770 839 HB2 LYS 606 HB2 LYS 606 -9.895 6.017 9.209 840 HB3 LYS 606 HB3 LYS 606 -10.880 6.264 10.644 841 HG2 LYS 606 HG2 LYS 606 -10.737 8.671 10.353 842 HG3 LYS 606 HG3 LYS 606 -9.697 8.450 8.945 843 HD2 LYS 606 HD2 LYS 606 -11.974 8.894 8.238 844 HD3 LYS 606 HD3 LYS 606 -11.521 7.242 7.814 845 HE2 LYS 606 HE2 LYS 606 -12.698 6.428 9.811 846 HE3 LYS 606 HE3 LYS 606 -13.168 8.080 10.196 847 HZ1 LYS 606 HZ1 LYS 606 -13.939 6.602 7.739 848 HZ2 LYS 606 HZ2 LYS 606 -14.409 8.177 8.133 849 HZ3 LYS 606 HZ3 LYS 606 -14.939 6.875 9.075 850 H ASN 607 HN ASN 607 -10.058 5.277 12.612 851 HA ASN 607 HA ASN 607 -8.186 3.318 13.225 852 HB2 ASN 607 HB2 ASN 607 -10.179 3.669 14.574 853 HB3 ASN 607 HB3 ASN 607 -11.206 3.166 13.239 854 HD21 ASN 607 HD21 ASN 607 -12.136 1.523 14.430 855 HD22 ASN 607 HD22 ASN 607 -11.281 0.077 14.847 856 H VAL 608 HN VAL 608 -7.374 1.695 12.129 857 HA VAL 608 HA VAL 608 -8.243 1.176 9.448 858 HB VAL 608 HB VAL 608 -6.064 -0.111 11.104 859 HG11 VAL 608 HG11 VAL 608 -5.161 -0.883 8.943 860 HG12 VAL 608 HG12 VAL 608 -6.629 -0.309 8.156 861 HG13 VAL 608 HG13 VAL 608 -6.718 -1.614 9.334 862 HG21 VAL 608 HG21 VAL 608 -5.948 2.037 8.985 863 HG22 VAL 608 HG22 VAL 608 -4.559 1.312 9.795 864 HG23 VAL 608 HG23 VAL 608 -5.715 2.272 10.718 865 H ALA 609 HN ALA 609 -8.659 -0.375 12.552 866 HA ALA 609 HA ALA 609 -9.464 -2.926 11.667 867 HB1 ALA 609 HB1 ALA 609 -8.947 -2.439 14.004 868 HB2 ALA 609 HB2 ALA 609 -10.551 -3.154 13.840 869 HB3 ALA 609 HB3 ALA 609 -10.382 -1.420 14.113 870 H ALA 610 HN ALA 610 -11.191 0.104 11.985 871 HA ALA 610 HA ALA 610 -13.801 -0.859 11.509 872 HB1 ALA 610 HB1 ALA 610 -12.597 1.846 10.942 873 HB2 ALA 610 HB2 ALA 610 -13.419 1.354 12.422 874 HB3 ALA 610 HB3 ALA 610 -14.319 1.476 10.912 875 H ILE 611 HN ILE 611 -11.091 -0.184 9.468 876 HA ILE 611 HA ILE 611 -12.503 -0.044 6.999 877 HB ILE 611 HB ILE 611 -9.596 -0.693 7.544 878 HG12 ILE 611 HG12 ILE 611 -10.936 1.900 6.741 879 HG13 ILE 611 HG13 ILE 611 -10.316 1.530 8.347 880 HG21 ILE 611 HG21 ILE 611 -10.341 -1.476 5.334 881 HG22 ILE 611 HG22 ILE 611 -9.194 -0.142 5.212 882 HG23 ILE 611 HG23 ILE 611 -10.916 0.150 4.966 883 HD11 ILE 611 HD11 ILE 611 -8.719 1.824 5.817 884 HD12 ILE 611 HD12 ILE 611 -8.051 1.319 7.368 885 HD13 ILE 611 HD13 ILE 611 -8.755 2.930 7.191 886 H ILE 612 HN ILE 612 -11.075 -2.637 8.927 887 HA ILE 612 HA ILE 612 -11.421 -4.766 7.152 888 HB ILE 612 HB ILE 612 -11.899 -4.880 10.140 889 HG12 ILE 612 HG12 ILE 612 -9.318 -5.350 8.635 890 HG13 ILE 612 HG13 ILE 612 -9.683 -3.891 9.552 891 HG21 ILE 612 HG21 ILE 612 -12.684 -6.850 8.969 892 HG22 ILE 612 HG22 ILE 612 -11.233 -7.238 9.894 893 HG23 ILE 612 HG23 ILE 612 -11.130 -7.010 8.148 894 HD11 ILE 612 HD11 ILE 612 -8.264 -5.378 10.823 895 HD12 ILE 612 HD12 ILE 612 -9.444 -6.678 10.661 896 HD13 ILE 612 HD13 ILE 612 -9.845 -5.236 11.591 897 H GLN 613 HN GLN 613 -13.665 -3.284 9.459 898 HA GLN 613 HA GLN 613 -15.877 -4.944 8.882 899 HB2 GLN 613 HB2 GLN 613 -15.778 -2.093 9.880 900 HB3 GLN 613 HB3 GLN 613 -17.244 -3.058 9.808 901 HG2 GLN 613 HG2 GLN 613 -14.794 -3.644 11.454 902 HG3 GLN 613 HG3 GLN 613 -16.347 -3.057 12.048 903 HE21 GLN 613 HE21 GLN 613 -14.897 -5.470 12.758 904 HE22 GLN 613 HE22 GLN 613 -15.951 -6.788 12.417 905 H ASP 614 HN ASP 614 -14.593 -2.094 7.358 906 HA ASP 614 HA ASP 614 -16.756 -1.574 5.597 907 HB2 ASP 614 HB2 ASP 614 -13.840 -0.849 5.508 908 HB3 ASP 614 HB3 ASP 614 -14.904 -0.475 4.157 909 H ILE 615 HN ILE 615 -13.836 -3.555 5.271 910 HA ILE 615 HA ILE 615 -14.210 -4.342 2.595 911 HB ILE 615 HB ILE 615 -12.879 -5.848 4.854 912 HG12 ILE 615 HG12 ILE 615 -11.645 -4.111 2.712 913 HG13 ILE 615 HG13 ILE 615 -12.017 -3.542 4.336 914 HG21 ILE 615 HG21 ILE 615 -12.618 -6.202 1.868 915 HG22 ILE 615 HG22 ILE 615 -13.423 -7.314 2.975 916 HG23 ILE 615 HG23 ILE 615 -11.684 -7.057 3.096 917 HD11 ILE 615 HD11 ILE 615 -10.066 -5.683 3.562 918 HD12 ILE 615 HD12 ILE 615 -10.516 -5.301 5.223 919 HD13 ILE 615 HD13 ILE 615 -9.711 -4.089 4.228 920 H HIS 616 HN HIS 616 -15.167 -5.874 5.646 921 HA HIS 616 HA HIS 616 -16.469 -8.098 4.511 922 HB2 HIS 616 HB2 HIS 616 -16.700 -6.721 7.169 923 HB3 HIS 616 HB3 HIS 616 -17.775 -8.049 6.752 924 HD1 HIS 616 HD1 HIS 616 -16.974 -10.190 7.654 925 HD2 HIS 616 HD2 HIS 616 -13.821 -7.661 6.681 926 HE1 HIS 616 HE1 HIS 616 -14.882 -11.448 8.264 927 HE2 HIS 616 HE2 HIS 616 -13.001 -9.841 7.800 928 H SER 617 HN SER 617 -17.544 -4.827 5.153 929 HA SER 617 HA SER 617 -20.294 -5.305 4.697 930 HB2 SER 617 HB2 SER 617 -18.671 -2.758 4.557 931 HB3 SER 617 HB3 SER 617 -20.430 -2.819 4.460 932 HG SER 617 HG SER 617 -18.755 -3.506 6.641 933 H GLN 618 HN GLN 618 -17.560 -4.777 2.656 934 HA GLN 618 HA GLN 618 -17.234 -5.016 0.431 935 HB2 GLN 618 HB2 GLN 618 -20.097 -5.979 0.418 936 HB3 GLN 618 HB3 GLN 618 -18.989 -6.099 -0.940 937 HG2 GLN 618 HG2 GLN 618 -17.566 -7.596 0.284 938 HG3 GLN 618 HG3 GLN 618 -18.533 -7.379 1.743 939 HE21 GLN 618 HE21 GLN 618 -18.386 -8.824 -1.413 940 HE22 GLN 618 HE22 GLN 618 -19.720 -9.907 -1.197 941 H ARG 619 HN ARG 619 -20.655 -4.113 0.323 942 HA ARG 619 HA ARG 619 -19.884 -1.510 -0.800 943 HB2 ARG 619 HB2 ARG 619 -22.082 -3.349 -1.764 944 HB3 ARG 619 HB3 ARG 619 -21.930 -1.667 -2.252 945 HG2 ARG 619 HG2 ARG 619 -19.767 -2.130 -3.253 946 HG3 ARG 619 HG3 ARG 619 -19.868 -3.809 -2.722 947 HD2 ARG 619 HD2 ARG 619 -21.778 -2.454 -4.620 948 HD3 ARG 619 HD3 ARG 619 -20.468 -3.534 -5.089 949 HE ARG 619 HE ARG 619 -22.392 -4.632 -3.221 950 HH11 ARG 619 HH11 ARG 619 -21.417 -4.295 -6.568 951 HH12 ARG 619 HH12 ARG 619 -22.338 -5.665 -7.100 952 HH21 ARG 619 HH21 ARG 619 -23.590 -6.429 -3.914 953 HH22 ARG 619 HH22 ARG 619 -23.564 -6.887 -5.588 954 H GLU 620 HN GLU 620 -20.166 -1.460 1.708 955 HA GLU 620 HA GLU 620 -21.264 -0.653 3.514 956 HB2 GLU 620 HB2 GLU 620 -23.121 0.552 1.456 957 HB3 GLU 620 HB3 GLU 620 -22.970 1.056 3.133 958 HG2 GLU 620 HG2 GLU 620 -20.860 1.261 1.000 959 HG3 GLU 620 HG3 GLU 620 -21.795 2.587 1.686 960 H ARG 621 HN ARG 621 -21.800 -3.114 3.524 961 HA ARG 621 HA ARG 621 -24.571 -3.798 3.291 962 HB2 ARG 621 HB2 ARG 621 -22.707 -5.450 3.084 963 HB3 ARG 621 HB3 ARG 621 -22.367 -5.229 4.794 964 HG2 ARG 621 HG2 ARG 621 -24.629 -6.060 5.318 965 HG3 ARG 621 HG3 ARG 621 -24.888 -6.359 3.597 966 HD2 ARG 621 HD2 ARG 621 -24.217 -8.408 4.719 967 HD3 ARG 621 HD3 ARG 621 -22.969 -7.889 3.586 968 HE ARG 621 HE ARG 621 -22.566 -6.966 6.288 969 HH11 ARG 621 HH11 ARG 621 -21.978 -9.587 4.035 970 HH12 ARG 621 HH12 ARG 621 -20.585 -10.167 4.891 971 HH21 ARG 621 HH21 ARG 621 -20.739 -7.735 7.406 972 HH22 ARG 621 HH22 ARG 621 -19.879 -9.116 6.799 Start of MODEL 2 1 HO5' ADN 1 H5T ADE 1 9.879 -0.898 -8.238 2 H5'1 ADN 1 H5' ADE 1 8.453 -0.627 -10.668 3 H5'2 ADN 1 H5'' ADE 1 9.870 -1.677 -10.522 4 H4' ADN 1 H4' ADE 1 9.662 1.288 -10.259 5 H3' ADN 1 H3' ADE 1 10.535 -0.093 -12.401 6 H2' ADN 1 H2' ADE 1 12.316 -1.283 -11.267 7 HO2' ADN 1 HO2' ADE 1 14.114 0.649 -11.489 8 H1' ADN 1 H1' ADE 1 12.970 1.344 -9.811 9 H8 ADN 1 H8 ADE 1 12.164 -2.128 -8.461 10 HN61 ADN 1 H61 ADE 1 16.486 -3.051 -6.416 11 HN62 ADN 1 H62 ADE 1 18.014 -2.201 -6.419 12 H2 ADN 1 H2 ADE 1 17.424 1.514 -8.859 13 H5' U 2 H5' URI 2 10.390 4.925 -11.205 14 H5'' U 2 H5'' URI 2 10.428 4.083 -9.644 15 H4' U 2 H4' URI 2 8.955 6.192 -9.952 16 H3' U 2 H3' URI 2 8.845 4.383 -7.997 17 H2' U 2 H2' URI 2 7.473 2.762 -9.174 18 HO2' U 2 HO2' URI 2 5.384 4.403 -8.210 19 H1' U 2 H1' URI 2 5.697 5.096 -10.096 20 H3 U 2 H3 URI 2 3.289 2.935 -13.128 21 H5 U 2 H5 URI 2 6.365 0.199 -12.303 22 H6 U 2 H6 URI 2 7.350 1.857 -10.865 23 H5' C 3 H5' CYT 3 6.522 6.923 -4.533 24 H5'' C 3 H5'' CYT 3 8.002 7.898 -4.534 25 H4' C 3 H4' CYT 3 7.252 6.538 -2.430 26 H3' C 3 H3' CYT 3 9.559 7.797 -2.905 27 H2' C 3 H2' CYT 3 10.575 5.991 -4.195 28 HO2' C 3 HO2' CYT 3 11.196 5.465 -1.453 29 H1' C 3 H1' CYT 3 9.528 4.090 -2.010 30 H41 C 3 H41 CYT 3 11.046 0.455 -7.330 31 H42 C 3 H42 CYT 3 11.914 -0.236 -5.979 32 H5 C 3 H5 CYT 3 9.687 2.453 -7.138 33 H6 C 3 H6 CYT 3 8.926 4.207 -5.622 34 H5' U 4 H5' URI 4 8.087 10.795 -1.214 35 H5'' U 4 H5'' URI 4 8.717 10.591 0.430 36 H4' U 4 H4' URI 4 5.880 10.569 -0.528 37 H3' U 4 H3' URI 4 7.144 12.674 0.505 38 H2' U 4 H2' URI 4 7.917 11.599 2.539 39 HO2' U 4 HO2' URI 4 6.436 13.447 2.979 40 H1' U 4 H1' URI 4 5.138 10.332 2.850 41 H3 U 4 H3 URI 4 7.262 9.187 6.793 42 H5 U 4 H5 URI 4 9.002 6.851 3.770 43 H6 U 4 H6 URI 4 7.821 8.198 2.163 44 H5' U 5 H5' URI 5 3.611 12.061 -0.495 45 H5'' U 5 H5'' URI 5 3.106 13.022 -1.896 46 H4' U 5 H4' URI 5 1.067 12.389 -1.293 47 H3' U 5 H3' URI 5 1.386 14.920 -0.348 48 H2' U 5 H2' URI 5 1.777 14.343 1.954 49 HO2' U 5 HO2' URI 5 -1.047 14.003 1.888 50 H1' U 5 H1' URI 5 -0.269 12.066 1.610 51 H3 U 5 H3 URI 5 0.184 10.623 5.784 52 H5 U 5 H5 URI 5 4.085 11.857 4.836 53 H6 U 5 H6 URI 5 3.259 12.559 2.686 54 H5' A 6 H5' ADE 6 -2.623 15.924 -3.126 55 H5'' A 6 H5'' ADE 6 -1.387 15.810 -4.390 56 H4' A 6 H4' ADE 6 -2.392 18.115 -2.956 57 H3' A 6 H3' ADE 6 -1.996 17.695 -5.566 58 HO3' A 6 H3T ADE 6 -1.738 20.120 -4.165 59 H2' A 6 H2' ADE 6 0.413 17.467 -5.478 60 HO2' A 6 HO2' ADE 6 -0.425 19.509 -6.669 61 H1' A 6 H1' ADE 6 0.482 19.858 -3.550 62 H8 A 6 H8 ADE 6 2.842 18.695 -5.483 63 H61 A 6 H61 ADE 6 6.382 17.013 -2.620 64 H62 A 6 H62 ADE 6 6.444 16.544 -0.934 65 H2 A 6 H2 ADE 6 2.313 17.140 0.720 66 H1 GLY 510 HT1 GLY 510 14.780 -6.251 -9.540 67 H2 GLY 510 HT2 GLY 510 16.369 -6.297 -8.964 68 H3 GLY 510 HT3 GLY 510 15.772 -4.890 -9.681 69 HA2 GLY 510 HA3 GLY 510 15.834 -4.611 -7.306 70 HA3 GLY 510 HA2 GLY 510 14.175 -4.616 -7.888 71 H ALA 511 HN ALA 511 16.319 -5.927 -5.678 72 HA ALA 511 HA ALA 511 14.965 -8.479 -5.404 73 HB1 ALA 511 HB1 ALA 511 17.386 -8.379 -5.121 74 HB2 ALA 511 HB2 ALA 511 16.594 -8.928 -3.644 75 HB3 ALA 511 HB3 ALA 511 17.187 -7.272 -3.765 76 H MET 512 HN MET 512 13.267 -8.804 -4.158 77 HA MET 512 HA MET 512 12.466 -6.706 -2.286 78 HB2 MET 512 HB2 MET 512 10.285 -7.833 -2.243 79 HB3 MET 512 HB3 MET 512 10.774 -7.439 -3.884 80 HG2 MET 512 HG2 MET 512 11.472 -9.760 -4.225 81 HG3 MET 512 HG3 MET 512 10.958 -10.149 -2.586 82 HE1 MET 512 HE1 MET 512 7.089 -9.666 -2.776 83 HE2 MET 512 HE2 MET 512 8.279 -8.468 -2.271 84 HE3 MET 512 HE3 MET 512 8.456 -10.149 -1.772 85 H ALA 513 HN ALA 513 14.130 -9.587 -2.247 86 HA ALA 513 HA ALA 513 13.228 -10.630 0.257 87 HB1 ALA 513 HB1 ALA 513 14.327 -12.048 -1.402 88 HB2 ALA 513 HB2 ALA 513 15.194 -12.071 0.135 89 HB3 ALA 513 HB3 ALA 513 15.814 -11.120 -1.215 90 H GLN 514 HN GLN 514 13.263 -8.470 1.284 91 HA GLN 514 HA GLN 514 15.929 -7.682 2.253 92 HB2 GLN 514 HB2 GLN 514 13.310 -6.171 2.212 93 HB3 GLN 514 HB3 GLN 514 14.805 -5.555 2.896 94 HG2 GLN 514 HG2 GLN 514 15.851 -5.521 0.751 95 HG3 GLN 514 HG3 GLN 514 14.481 -6.355 0.017 96 HE21 GLN 514 HE21 GLN 514 14.124 -4.714 -1.459 97 HE22 GLN 514 HE22 GLN 514 13.447 -3.193 -1.003 98 H ARG 515 HN ARG 515 15.530 -6.510 4.560 99 HA ARG 515 HA ARG 515 14.986 -8.517 6.432 100 HB2 ARG 515 HB2 ARG 515 14.994 -5.512 6.764 101 HB3 ARG 515 HB3 ARG 515 14.938 -6.653 8.099 102 HG2 ARG 515 HG2 ARG 515 17.112 -7.536 7.452 103 HG3 ARG 515 HG3 ARG 515 17.164 -6.421 6.085 104 HD2 ARG 515 HD2 ARG 515 17.141 -4.526 7.590 105 HD3 ARG 515 HD3 ARG 515 16.976 -5.596 8.978 106 HE ARG 515 HE ARG 515 19.301 -6.248 7.494 107 HH11 ARG 515 HH11 ARG 515 18.024 -3.838 9.682 108 HH12 ARG 515 HH12 ARG 515 19.576 -3.416 10.331 109 HH21 ARG 515 HH21 ARG 515 21.355 -5.703 8.359 110 HH22 ARG 515 HH22 ARG 515 21.463 -4.486 9.593 111 H LYS 516 HN LYS 516 13.095 -5.527 6.068 112 HA LYS 516 HA LYS 516 10.913 -5.036 6.430 113 HB2 LYS 516 HB2 LYS 516 10.440 -7.814 5.333 114 HB3 LYS 516 HB3 LYS 516 9.262 -6.514 5.410 115 HG2 LYS 516 HG2 LYS 516 11.778 -6.523 3.754 116 HG3 LYS 516 HG3 LYS 516 10.141 -6.798 3.159 117 HD2 LYS 516 HD2 LYS 516 9.523 -4.521 3.875 118 HD3 LYS 516 HD3 LYS 516 11.182 -4.255 4.417 119 HE2 LYS 516 HE2 LYS 516 11.949 -4.705 2.094 120 HE3 LYS 516 HE3 LYS 516 10.262 -4.802 1.596 121 HZ1 LYS 516 HZ1 LYS 516 9.940 -2.523 2.180 122 HZ2 LYS 516 HZ2 LYS 516 11.314 -2.615 1.193 123 HZ3 LYS 516 HZ3 LYS 516 11.488 -2.416 2.861 124 H GLY 517 HN GLY 517 12.091 -5.699 8.720 125 HA2 GLY 517 HA2 GLY 517 9.992 -7.235 10.119 126 HA3 GLY 517 HA3 GLY 517 11.687 -7.337 10.580 127 H ALA 518 HN ALA 518 12.720 -5.419 11.407 128 HA ALA 518 HA ALA 518 10.967 -3.814 13.051 129 HB1 ALA 518 HB1 ALA 518 13.030 -2.883 13.967 130 HB2 ALA 518 HB2 ALA 518 13.965 -3.706 12.720 131 HB3 ALA 518 HB3 ALA 518 13.097 -4.644 13.935 132 H GLY 519 HN GLY 519 9.992 -3.100 10.899 133 HA2 GLY 519 HA2 GLY 519 9.844 -0.724 10.050 134 HA3 GLY 519 HA3 GLY 519 11.553 -0.923 9.648 135 H ARG 520 HN ARG 520 8.370 -1.315 8.531 136 HA ARG 520 HA ARG 520 9.436 -2.802 6.216 137 HB2 ARG 520 HB2 ARG 520 6.632 -3.092 7.308 138 HB3 ARG 520 HB3 ARG 520 7.397 -4.060 6.054 139 HG2 ARG 520 HG2 ARG 520 8.777 -5.166 7.595 140 HG3 ARG 520 HG3 ARG 520 8.441 -3.987 8.864 141 HD2 ARG 520 HD2 ARG 520 6.496 -5.974 7.698 142 HD3 ARG 520 HD3 ARG 520 7.249 -6.058 9.289 143 HE ARG 520 HE ARG 520 5.017 -4.403 8.488 144 HH11 ARG 520 HH11 ARG 520 7.551 -4.900 10.866 145 HH12 ARG 520 HH12 ARG 520 6.719 -4.033 12.115 146 HH21 ARG 520 HH21 ARG 520 3.921 -3.270 10.147 147 HH22 ARG 520 HH22 ARG 520 4.667 -3.092 11.704 148 H VAL 521 HN VAL 521 9.136 -1.755 4.357 149 HA VAL 521 HA VAL 521 6.843 0.069 4.139 150 HB VAL 521 HB VAL 521 9.415 0.213 2.572 151 HG11 VAL 521 HG11 VAL 521 7.649 0.941 1.180 152 HG12 VAL 521 HG12 VAL 521 8.455 2.387 1.788 153 HG13 VAL 521 HG13 VAL 521 6.919 1.871 2.484 154 HG21 VAL 521 HG21 VAL 521 9.691 0.934 4.892 155 HG22 VAL 521 HG22 VAL 521 8.363 2.074 4.682 156 HG23 VAL 521 HG23 VAL 521 9.848 2.275 3.758 157 H VAL 522 HN VAL 522 5.289 -0.635 2.854 158 HA VAL 522 HA VAL 522 6.036 -2.228 0.484 159 HB VAL 522 HB VAL 522 3.354 -2.282 1.883 160 HG11 VAL 522 HG11 VAL 522 4.527 -4.052 -0.254 161 HG12 VAL 522 HG12 VAL 522 3.241 -2.861 -0.464 162 HG13 VAL 522 HG13 VAL 522 2.966 -4.293 0.533 163 HG21 VAL 522 HG21 VAL 522 3.975 -4.483 2.751 164 HG22 VAL 522 HG22 VAL 522 5.033 -3.215 3.371 165 HG23 VAL 522 HG23 VAL 522 5.596 -4.285 2.086 166 H HIS 523 HN HIS 523 5.644 -1.086 -1.431 167 HA HIS 523 HA HIS 523 4.108 1.383 -1.088 168 HB2 HIS 523 HB2 HIS 523 6.447 1.711 -1.678 169 HB3 HIS 523 HB3 HIS 523 6.285 0.628 -3.053 170 HD1 HIS 523 HD1 HIS 523 5.309 1.589 -5.200 171 HD2 HIS 523 HD2 HIS 523 5.321 4.293 -2.048 172 HE1 HIS 523 HE1 HIS 523 4.809 3.822 -6.228 173 HE2 HIS 523 HE2 HIS 523 5.036 5.464 -4.336 174 H ILE 524 HN ILE 524 2.378 1.781 -2.274 175 HA ILE 524 HA ILE 524 1.627 -0.168 -4.349 176 HB ILE 524 HB ILE 524 -0.188 1.623 -2.718 177 HG12 ILE 524 HG12 ILE 524 0.437 -1.326 -2.476 178 HG13 ILE 524 HG13 ILE 524 0.803 -0.074 -1.300 179 HG21 ILE 524 HG21 ILE 524 -1.147 1.155 -4.873 180 HG22 ILE 524 HG22 ILE 524 -1.990 0.192 -3.659 181 HG23 ILE 524 HG23 ILE 524 -0.789 -0.561 -4.708 182 HD11 ILE 524 HD11 ILE 524 -1.103 -1.444 -0.641 183 HD12 ILE 524 HD12 ILE 524 -1.958 -0.947 -2.103 184 HD13 ILE 524 HD13 ILE 524 -1.552 0.248 -0.871 185 H CYS 525 HN CYS 525 1.007 0.637 -6.353 186 HA CYS 525 HA CYS 525 1.300 3.537 -6.707 187 HB2 CYS 525 HB2 CYS 525 3.447 2.370 -7.210 188 HB3 CYS 525 HB3 CYS 525 2.615 1.455 -8.461 189 HG CYS 525 HG CYS 525 2.347 3.422 -10.242 190 H ASN 526 HN ASN 526 0.446 4.356 -8.652 191 HA ASN 526 HA ASN 526 -0.697 4.426 -10.628 192 HB2 ASN 526 HB2 ASN 526 -1.302 1.496 -10.196 193 HB3 ASN 526 HB3 ASN 526 -1.780 2.427 -11.609 194 HD21 ASN 526 HD21 ASN 526 -0.147 0.072 -11.515 195 HD22 ASN 526 HD22 ASN 526 1.392 0.505 -12.175 196 H LEU 527 HN LEU 527 -1.654 4.972 -7.975 197 HA LEU 527 HA LEU 527 -4.462 4.239 -7.967 198 HB2 LEU 527 HB2 LEU 527 -2.801 6.035 -6.201 199 HB3 LEU 527 HB1 LEU 527 -4.529 5.831 -5.998 200 HG LEU 527 HG LEU 527 -2.548 3.559 -5.825 201 HD11 LEU 527 HD11 LEU 527 -3.810 5.193 -3.626 202 HD12 LEU 527 HD12 LEU 527 -2.099 5.155 -4.052 203 HD13 LEU 527 HD13 LEU 527 -2.877 3.715 -3.394 204 HD21 LEU 527 HD21 LEU 527 -4.826 2.897 -6.392 205 HD22 LEU 527 HD22 LEU 527 -5.442 3.805 -5.013 206 HD23 LEU 527 HD23 LEU 527 -4.414 2.396 -4.753 207 HA PRO 528 HA PRO 528 -5.301 7.703 -10.641 208 HB2 PRO 528 HB2 PRO 528 -8.132 7.347 -10.023 209 HB3 PRO 528 HB1 PRO 528 -7.288 7.106 -11.552 210 HG2 PRO 528 HG2 PRO 528 -8.302 5.064 -10.070 211 HG3 PRO 528 HG3 PRO 528 -6.901 4.892 -11.139 212 HD2 PRO 528 HD2 PRO 528 -7.000 5.157 -8.168 213 HD3 PRO 528 HD3 PRO 528 -5.910 4.191 -9.185 214 H GLU 529 HN GLU 529 -5.374 9.809 -10.228 215 HA GLU 529 HA GLU 529 -5.770 10.856 -7.636 216 HB2 GLU 529 HB2 GLU 529 -4.339 11.906 -9.333 217 HB3 GLU 529 HB3 GLU 529 -5.756 12.239 -10.321 218 HG2 GLU 529 HG2 GLU 529 -6.611 13.633 -8.400 219 HG3 GLU 529 HG3 GLU 529 -5.008 13.461 -7.684 220 H GLY 530 HN GLY 530 -7.568 11.846 -6.706 221 HA2 GLY 530 HA2 GLY 530 -9.813 12.446 -6.541 222 HA3 GLY 530 HA3 GLY 530 -10.007 12.090 -8.254 223 H SER 531 HN SER 531 -8.388 9.602 -6.751 224 HA SER 531 HA SER 531 -10.785 8.060 -6.150 225 HB2 SER 531 HB2 SER 531 -8.703 7.151 -8.149 226 HB3 SER 531 HB3 SER 531 -10.145 6.258 -7.659 227 HG SER 531 HG SER 531 -10.937 8.642 -8.477 228 H CYS 532 HN CYS 532 -7.928 9.142 -5.212 229 HA CYS 532 HA CYS 532 -6.778 6.667 -4.188 230 HB2 CYS 532 HB2 CYS 532 -5.863 9.541 -3.899 231 HB3 CYS 532 HB3 CYS 532 -4.965 8.131 -3.352 232 HG CYS 532 HG CYS 532 -5.785 8.274 -6.633 233 H THR 533 HN THR 533 -8.420 6.082 -2.676 234 HA THR 533 HA THR 533 -8.731 7.988 -0.450 235 HB THR 533 HB THR 533 -10.767 6.883 0.156 236 HG1 THR 533 HG1 THR 533 -10.820 5.053 -1.934 237 HG21 THR 533 HG21 THR 533 -12.146 7.131 -1.861 238 HG22 THR 533 HG22 THR 533 -10.689 7.152 -2.854 239 HG23 THR 533 HG23 THR 533 -10.993 8.457 -1.706 240 H GLU 534 HN GLU 534 -8.533 7.163 1.682 241 HA GLU 534 HA GLU 534 -6.449 5.298 2.010 242 HB2 GLU 534 HB2 GLU 534 -8.373 6.374 4.070 243 HB3 GLU 534 HB3 GLU 534 -6.897 5.493 4.420 244 HG2 GLU 534 HG2 GLU 534 -6.283 7.725 4.721 245 HG3 GLU 534 HG3 GLU 534 -5.688 7.361 3.090 246 H ASN 535 HN ASN 535 -9.885 5.051 1.991 247 HA ASN 535 HA ASN 535 -10.152 2.532 3.231 248 HB2 ASN 535 HB2 ASN 535 -11.892 4.098 1.347 249 HB3 ASN 535 HB3 ASN 535 -12.333 2.466 1.837 250 HD21 ASN 535 HD21 ASN 535 -12.981 2.085 3.927 251 HD22 ASN 535 HD22 ASN 535 -13.375 3.355 5.029 252 H ASP 536 HN ASP 536 -9.729 3.417 -0.227 253 HA ASP 536 HA ASP 536 -10.305 0.773 -1.147 254 HB2 ASP 536 HB2 ASP 536 -9.071 3.202 -2.429 255 HB3 ASP 536 HB3 ASP 536 -9.107 1.660 -3.274 256 H VAL 537 HN VAL 537 -7.403 2.590 -0.603 257 HA VAL 537 HA VAL 537 -5.535 0.736 -1.611 258 HB VAL 537 HB VAL 537 -5.057 2.781 0.572 259 HG11 VAL 537 HG11 VAL 537 -3.217 1.166 0.218 260 HG12 VAL 537 HG12 VAL 537 -2.774 2.823 -0.205 261 HG13 VAL 537 HG13 VAL 537 -3.152 1.659 -1.476 262 HG21 VAL 537 HG21 VAL 537 -4.989 3.092 -2.426 263 HG22 VAL 537 HG22 VAL 537 -4.455 4.302 -1.264 264 HG23 VAL 537 HG23 VAL 537 -6.151 3.825 -1.318 265 H ILE 538 HN ILE 538 -6.588 1.358 1.720 266 HA ILE 538 HA ILE 538 -5.151 -0.817 2.831 267 HB ILE 538 HB ILE 538 -7.485 0.735 3.939 268 HG12 ILE 538 HG12 ILE 538 -4.513 0.857 4.472 269 HG13 ILE 538 HG13 ILE 538 -5.465 2.066 3.613 270 HG21 ILE 538 HG21 ILE 538 -7.476 -1.387 5.019 271 HG22 ILE 538 HG22 ILE 538 -6.706 -0.241 6.117 272 HG23 ILE 538 HG23 ILE 538 -5.721 -1.363 5.177 273 HD11 ILE 538 HD11 ILE 538 -6.672 2.612 5.601 274 HD12 ILE 538 HD12 ILE 538 -4.943 2.668 5.953 275 HD13 ILE 538 HD13 ILE 538 -5.910 1.287 6.481 276 H ASN 539 HN ASN 539 -8.448 -0.505 1.535 277 HA ASN 539 HA ASN 539 -9.417 -2.970 2.403 278 HB2 ASN 539 HB2 ASN 539 -10.084 -1.438 -0.110 279 HB3 ASN 539 HB3 ASN 539 -10.856 -2.964 0.302 280 HD21 ASN 539 HD21 ASN 539 -10.772 -2.216 3.208 281 HD22 ASN 539 HD22 ASN 539 -12.073 -1.114 3.399 282 H LEU 540 HN LEU 540 -7.142 -2.224 -0.129 283 HA LEU 540 HA LEU 540 -7.151 -4.864 -1.234 284 HB2 LEU 540 HB2 LEU 540 -5.014 -2.733 -1.237 285 HB3 LEU 540 HB1 LEU 540 -4.988 -4.186 -2.215 286 HG LEU 540 HG LEU 540 -7.001 -1.953 -2.436 287 HD11 LEU 540 HD11 LEU 540 -5.897 -1.488 -4.553 288 HD12 LEU 540 HD12 LEU 540 -4.725 -2.767 -4.234 289 HD13 LEU 540 HD13 LEU 540 -4.772 -1.335 -3.205 290 HD21 LEU 540 HD21 LEU 540 -6.645 -4.461 -4.073 291 HD22 LEU 540 HD22 LEU 540 -7.734 -3.131 -4.465 292 HD23 LEU 540 HD23 LEU 540 -8.001 -4.089 -3.009 293 H GLY 541 HN GLY 541 -5.201 -3.133 1.176 294 HA2 GLY 541 HA2 GLY 541 -3.387 -5.192 1.732 295 HA3 GLY 541 HA3 GLY 541 -3.793 -3.867 2.810 296 H LEU 542 HN LEU 542 -6.383 -4.425 3.507 297 HA LEU 542 HA LEU 542 -5.763 -6.030 5.698 298 HB2 LEU 542 HB2 LEU 542 -8.354 -4.927 4.708 299 HB3 LEU 542 HB1 LEU 542 -8.253 -5.879 6.178 300 HG LEU 542 HG LEU 542 -6.647 -3.375 5.703 301 HD11 LEU 542 HD11 LEU 542 -8.253 -2.286 7.207 302 HD12 LEU 542 HD12 LEU 542 -9.248 -3.742 7.176 303 HD13 LEU 542 HD13 LEU 542 -8.997 -2.815 5.700 304 HD21 LEU 542 HD21 LEU 542 -5.669 -4.880 7.329 305 HD22 LEU 542 HD22 LEU 542 -7.211 -5.017 8.169 306 HD23 LEU 542 HD23 LEU 542 -6.353 -3.477 8.147 307 HA PRO 543 HA PRO 543 -8.697 -9.489 3.923 308 HB2 PRO 543 HB2 PRO 543 -7.997 -9.200 1.041 309 HB3 PRO 543 HB1 PRO 543 -9.533 -9.666 1.788 310 HG2 PRO 543 HG2 PRO 543 -9.289 -7.240 0.797 311 HG3 PRO 543 HG3 PRO 543 -10.044 -7.447 2.397 312 HD2 PRO 543 HD2 PRO 543 -7.213 -6.646 1.737 313 HD3 PRO 543 HD3 PRO 543 -8.351 -5.890 2.875 314 H PHE 544 HN PHE 544 -5.490 -8.669 2.670 315 HA PHE 544 HA PHE 544 -4.788 -11.513 2.689 316 HB2 PHE 544 HB2 PHE 544 -3.297 -9.102 1.650 317 HB3 PHE 544 HB3 PHE 544 -2.673 -10.746 1.614 318 HD1 PHE 544 HD1 PHE 544 -3.879 -12.459 0.261 319 HD2 PHE 544 HD2 PHE 544 -4.736 -8.308 -0.006 320 HE1 PHE 544 HE1 PHE 544 -4.962 -12.831 -1.915 321 HE2 PHE 544 HE2 PHE 544 -5.831 -8.671 -2.180 322 HZ PHE 544 HZ PHE 544 -5.940 -10.936 -3.139 323 H GLY 545 HN GLY 545 -4.522 -8.739 4.659 324 HA2 GLY 545 HA2 GLY 545 -2.947 -10.068 6.610 325 HA3 GLY 545 HA3 GLY 545 -1.953 -8.937 5.706 326 H LYS 546 HN LYS 546 -1.889 -8.199 8.111 327 HA LYS 546 HA LYS 546 -4.245 -6.583 8.767 328 HB2 LYS 546 HB2 LYS 546 -3.281 -8.188 10.476 329 HB3 LYS 546 HB3 LYS 546 -1.875 -7.140 10.552 330 HG2 LYS 546 HG2 LYS 546 -3.181 -5.328 11.392 331 HG3 LYS 546 HG3 LYS 546 -4.680 -6.217 11.121 332 HD2 LYS 546 HD2 LYS 546 -4.231 -6.387 13.434 333 HD3 LYS 546 HD3 LYS 546 -3.796 -7.947 12.738 334 HE2 LYS 546 HE2 LYS 546 -2.064 -7.391 14.242 335 HE3 LYS 546 HE3 LYS 546 -1.421 -7.091 12.632 336 HZ1 LYS 546 HZ1 LYS 546 -0.839 -5.289 14.077 337 HZ2 LYS 546 HZ2 LYS 546 -2.451 -5.057 14.531 338 HZ3 LYS 546 HZ3 LYS 546 -1.967 -4.721 12.949 339 H VAL 547 HN VAL 547 -4.202 -4.481 8.348 340 HA VAL 547 HA VAL 547 -1.704 -3.212 7.588 341 HB VAL 547 HB VAL 547 -4.577 -2.282 7.479 342 HG11 VAL 547 HG11 VAL 547 -2.990 -0.391 7.809 343 HG12 VAL 547 HG12 VAL 547 -3.855 -0.341 6.273 344 HG13 VAL 547 HG13 VAL 547 -2.171 -0.878 6.323 345 HG21 VAL 547 HG21 VAL 547 -4.081 -4.021 5.897 346 HG22 VAL 547 HG22 VAL 547 -2.646 -3.158 5.346 347 HG23 VAL 547 HG23 VAL 547 -4.248 -2.487 5.046 348 H THR 548 HN THR 548 -0.495 -2.336 9.142 349 HA THR 548 HA THR 548 -1.748 -1.269 11.540 350 HB THR 548 HB THR 548 0.680 -0.964 12.246 351 HG1 THR 548 HG1 THR 548 2.067 -1.174 10.649 352 HG21 THR 548 HG21 THR 548 1.026 -3.370 12.643 353 HG22 THR 548 HG22 THR 548 -0.264 -3.733 11.496 354 HG23 THR 548 HG23 THR 548 -0.629 -2.875 12.993 355 H ASN 549 HN ASN 549 0.144 -0.172 8.805 356 HA ASN 549 HA ASN 549 -0.563 2.605 9.443 357 HB2 ASN 549 HB2 ASN 549 2.249 1.602 8.962 358 HB3 ASN 549 HB3 ASN 549 1.803 3.278 8.697 359 HD21 ASN 549 HD21 ASN 549 3.129 4.099 10.239 360 HD22 ASN 549 HD22 ASN 549 2.890 3.859 11.934 361 H TYR 550 HN TYR 550 -0.327 4.039 7.614 362 HA TYR 550 HA TYR 550 0.161 2.972 5.001 363 HB2 TYR 550 HB2 TYR 550 -2.134 3.393 4.162 364 HB3 TYR 550 HB3 TYR 550 -2.087 2.097 5.354 365 HD1 TYR 550 HD1 TYR 550 -3.806 4.933 4.350 366 HD2 TYR 550 HD2 TYR 550 -2.484 2.966 7.875 367 HE1 TYR 550 HE1 TYR 550 -5.513 6.111 5.659 368 HE2 TYR 550 HE2 TYR 550 -4.200 4.139 9.185 369 HH TYR 550 HH TYR 550 -6.753 5.852 7.714 370 H ILE 551 HN ILE 551 0.158 4.637 3.386 371 HA ILE 551 HA ILE 551 -0.205 7.394 4.294 372 HB ILE 551 HB ILE 551 2.305 6.480 2.888 373 HG12 ILE 551 HG12 ILE 551 2.074 7.290 5.798 374 HG13 ILE 551 HG13 ILE 551 2.207 5.623 5.248 375 HG21 ILE 551 HG21 ILE 551 1.565 9.111 4.154 376 HG22 ILE 551 HG22 ILE 551 1.666 8.767 2.428 377 HG23 ILE 551 HG23 ILE 551 3.124 8.731 3.421 378 HD11 ILE 551 HD11 ILE 551 4.262 7.784 4.853 379 HD12 ILE 551 HD12 ILE 551 4.395 6.117 4.291 380 HD13 ILE 551 HD13 ILE 551 4.341 6.464 6.020 381 H LEU 552 HN LEU 552 -1.195 8.508 2.575 382 HA LEU 552 HA LEU 552 -1.102 7.060 0.027 383 HB2 LEU 552 HB2 LEU 552 -3.231 8.926 1.048 384 HB3 LEU 552 HB1 LEU 552 -3.182 8.250 -0.570 385 HG LEU 552 HG LEU 552 -3.713 6.867 2.032 386 HD11 LEU 552 HD11 LEU 552 -5.634 7.786 1.066 387 HD12 LEU 552 HD12 LEU 552 -5.658 6.078 0.628 388 HD13 LEU 552 HD13 LEU 552 -5.159 7.281 -0.552 389 HD21 LEU 552 HD21 LEU 552 -3.748 4.747 0.777 390 HD22 LEU 552 HD22 LEU 552 -2.134 5.443 0.897 391 HD23 LEU 552 HD23 LEU 552 -3.041 5.579 -0.609 392 H MET 553 HN MET 553 -0.275 8.072 -1.719 393 HA MET 553 HA MET 553 0.662 10.833 -1.230 394 HB2 MET 553 HB2 MET 553 1.692 8.960 -3.372 395 HB3 MET 553 HB3 MET 553 2.446 10.431 -2.773 396 HG2 MET 553 HG2 MET 553 3.143 9.404 -0.794 397 HG3 MET 553 HG3 MET 553 2.035 8.049 -1.004 398 HE1 MET 553 HE1 MET 553 5.872 8.681 -3.498 399 HE2 MET 553 HE2 MET 553 5.367 9.735 -2.180 400 HE3 MET 553 HE3 MET 553 4.444 9.702 -3.682 401 H LYS 554 HN LYS 554 -1.619 11.338 -1.787 402 HA LYS 554 HA LYS 554 -2.806 11.127 -4.165 403 HB2 LYS 554 HB2 LYS 554 -2.753 13.786 -2.767 404 HB3 LYS 554 HB3 LYS 554 -4.077 13.040 -3.648 405 HG2 LYS 554 HG2 LYS 554 -3.000 12.244 -0.950 406 HG3 LYS 554 HG3 LYS 554 -4.574 12.947 -1.312 407 HD2 LYS 554 HD2 LYS 554 -5.140 10.912 -2.603 408 HD3 LYS 554 HD3 LYS 554 -3.588 10.209 -2.134 409 HE2 LYS 554 HE2 LYS 554 -5.122 9.310 -0.614 410 HE3 LYS 554 HE3 LYS 554 -4.330 10.607 0.274 411 HZ1 LYS 554 HZ1 LYS 554 -6.702 10.630 0.649 412 HZ2 LYS 554 HZ2 LYS 554 -7.005 10.750 -1.013 413 HZ3 LYS 554 HZ3 LYS 554 -6.248 12.024 -0.199 414 H SER 555 HN SER 555 0.083 12.996 -3.618 415 HA SER 555 HA SER 555 -0.274 14.801 -5.781 416 HB2 SER 555 HB2 SER 555 2.130 15.319 -5.361 417 HB3 SER 555 HB3 SER 555 1.129 15.405 -3.910 418 HG SER 555 HG SER 555 3.252 14.180 -3.888 419 H THR 556 HN THR 556 1.520 11.754 -5.382 420 HA THR 556 HA THR 556 2.380 11.926 -8.179 421 HB THR 556 HB THR 556 3.939 10.075 -7.564 422 HG1 THR 556 HG1 THR 556 3.863 9.220 -5.612 423 HG21 THR 556 HG21 THR 556 4.716 12.379 -7.499 424 HG22 THR 556 HG22 THR 556 5.431 11.457 -6.176 425 HG23 THR 556 HG23 THR 556 4.093 12.561 -5.858 426 H ASN 557 HN ASN 557 -0.245 10.786 -6.772 427 HA ASN 557 HA ASN 557 -1.764 9.135 -7.152 428 HB2 ASN 557 HB2 ASN 557 -0.167 8.818 -9.707 429 HB3 ASN 557 HB3 ASN 557 -1.718 8.044 -9.399 430 HD21 ASN 557 HD21 ASN 557 -0.990 9.939 -11.473 431 HD22 ASN 557 HD22 ASN 557 -2.047 11.293 -11.284 432 H GLN 558 HN GLN 558 0.331 8.522 -5.509 433 HA GLN 558 HA GLN 558 0.679 5.632 -5.897 434 HB2 GLN 558 HB2 GLN 558 2.881 7.598 -5.232 435 HB3 GLN 558 HB3 GLN 558 3.039 5.852 -5.074 436 HG2 GLN 558 HG2 GLN 558 2.697 5.575 -7.451 437 HG3 GLN 558 HG3 GLN 558 2.431 7.309 -7.633 438 HE21 GLN 558 HE21 GLN 558 4.131 7.480 -9.087 439 HE22 GLN 558 HE22 GLN 558 5.781 7.406 -8.579 440 H ALA 559 HN ALA 559 1.507 4.613 -3.721 441 HA ALA 559 HA ALA 559 0.980 6.214 -1.393 442 HB1 ALA 559 HB1 ALA 559 -0.841 4.808 -0.558 443 HB2 ALA 559 HB2 ALA 559 -0.889 3.982 -2.124 444 HB3 ALA 559 HB3 ALA 559 -1.273 5.706 -2.018 445 H PHE 560 HN PHE 560 1.182 4.992 0.604 446 HA PHE 560 HA PHE 560 2.934 2.619 0.354 447 HB2 PHE 560 HB2 PHE 560 2.905 4.729 2.521 448 HB3 PHE 560 HB3 PHE 560 3.866 3.263 2.570 449 HD1 PHE 560 HD1 PHE 560 5.631 2.930 0.797 450 HD2 PHE 560 HD2 PHE 560 3.691 6.653 1.477 451 HE1 PHE 560 HE1 PHE 560 7.487 4.098 -0.316 452 HE2 PHE 560 HE2 PHE 560 5.537 7.826 0.361 453 HZ PHE 560 HZ PHE 560 7.438 6.550 -0.535 454 H LEU 561 HN LEU 561 2.525 0.879 1.635 455 HA LEU 561 HA LEU 561 0.240 1.015 3.478 456 HB2 LEU 561 HB2 LEU 561 -0.516 0.124 1.306 457 HB3 LEU 561 HB1 LEU 561 0.726 -1.107 1.375 458 HG LEU 561 HG LEU 561 -0.377 -2.070 3.374 459 HD11 LEU 561 HD11 LEU 561 -2.652 -1.344 3.928 460 HD12 LEU 561 HD12 LEU 561 -2.506 -0.021 2.770 461 HD13 LEU 561 HD13 LEU 561 -1.471 -0.061 4.200 462 HD21 LEU 561 HD21 LEU 561 -2.287 -1.802 1.057 463 HD22 LEU 561 HD22 LEU 561 -2.115 -3.161 2.168 464 HD23 LEU 561 HD23 LEU 561 -0.837 -2.804 1.006 465 H GLU 562 HN GLU 562 0.928 0.395 5.403 466 HA GLU 562 HA GLU 562 3.215 -1.430 5.586 467 HB2 GLU 562 HB2 GLU 562 3.221 0.729 6.880 468 HB3 GLU 562 HB3 GLU 562 1.904 0.078 7.844 469 HG2 GLU 562 HG2 GLU 562 3.372 -1.816 8.477 470 HG3 GLU 562 HG3 GLU 562 4.691 -1.027 7.614 471 H MET 563 HN MET 563 2.957 -3.454 6.029 472 HA MET 563 HA MET 563 0.376 -4.383 7.073 473 HB2 MET 563 HB2 MET 563 2.456 -5.956 5.539 474 HB3 MET 563 HB3 MET 563 0.806 -6.449 5.908 475 HG2 MET 563 HG2 MET 563 -0.115 -4.916 4.397 476 HG3 MET 563 HG3 MET 563 1.382 -3.998 4.295 477 HE1 MET 563 HE1 MET 563 1.073 -5.292 0.651 478 HE2 MET 563 HE2 MET 563 1.342 -3.889 1.686 479 HE3 MET 563 HE3 MET 563 -0.216 -4.716 1.707 480 H ALA 564 HN ALA 564 0.580 -6.415 8.472 481 HA ALA 564 HA ALA 564 2.091 -5.677 10.713 482 HB1 ALA 564 HB1 ALA 564 1.372 -7.772 11.710 483 HB2 ALA 564 HB2 ALA 564 0.870 -8.368 10.128 484 HB3 ALA 564 HB3 ALA 564 0.040 -6.995 10.857 485 H TYR 565 HN TYR 565 2.694 -8.177 8.279 486 HA TYR 565 HA TYR 565 5.454 -8.330 9.229 487 HB2 TYR 565 HB2 TYR 565 3.590 -10.676 8.904 488 HB3 TYR 565 HB3 TYR 565 5.342 -10.846 8.950 489 HD1 TYR 565 HD1 TYR 565 2.350 -10.576 10.894 490 HD2 TYR 565 HD2 TYR 565 6.561 -9.991 11.020 491 HE1 TYR 565 HE1 TYR 565 2.279 -10.618 13.352 492 HE2 TYR 565 HE2 TYR 565 6.499 -10.035 13.475 493 HH TYR 565 HH TYR 565 4.875 -9.603 15.274 494 H THR 566 HN THR 566 6.873 -9.473 7.722 495 HA THR 566 HA THR 566 6.664 -8.411 5.123 496 HB THR 566 HB THR 566 8.824 -9.035 6.232 497 HG1 THR 566 HG1 THR 566 9.299 -10.380 4.000 498 HG21 THR 566 HG21 THR 566 9.618 -11.353 6.019 499 HG22 THR 566 HG22 THR 566 8.027 -11.839 5.431 500 HG23 THR 566 HG23 THR 566 8.215 -11.240 7.080 501 H GLU 567 HN GLU 567 5.599 -11.412 6.492 502 HA GLU 567 HA GLU 567 5.323 -12.962 4.177 503 HB2 GLU 567 HB2 GLU 567 3.706 -14.264 5.525 504 HB3 GLU 567 HB3 GLU 567 5.219 -13.961 6.363 505 HG2 GLU 567 HG2 GLU 567 4.058 -12.022 7.492 506 HG3 GLU 567 HG3 GLU 567 2.555 -12.657 6.820 507 H ALA 568 HN ALA 568 3.312 -10.469 5.568 508 HA ALA 568 HA ALA 568 1.004 -11.048 3.960 509 HB1 ALA 568 HB1 ALA 568 1.733 -8.547 5.490 510 HB2 ALA 568 HB2 ALA 568 0.776 -9.893 6.106 511 HB3 ALA 568 HB3 ALA 568 0.155 -8.903 4.786 512 H ALA 569 HN ALA 569 3.752 -8.872 3.841 513 HA ALA 569 HA ALA 569 2.867 -7.276 1.699 514 HB1 ALA 569 HB1 ALA 569 5.179 -6.505 1.589 515 HB2 ALA 569 HB2 ALA 569 5.674 -7.831 2.641 516 HB3 ALA 569 HB3 ALA 569 4.606 -6.571 3.255 517 H GLN 570 HN GLN 570 4.968 -10.129 1.836 518 HA GLN 570 HA GLN 570 5.581 -10.085 -0.933 519 HB2 GLN 570 HB2 GLN 570 6.457 -12.359 -0.588 520 HB3 GLN 570 HB3 GLN 570 7.034 -11.242 0.639 521 HG2 GLN 570 HG2 GLN 570 5.357 -12.111 2.201 522 HG3 GLN 570 HG3 GLN 570 4.824 -13.257 0.971 523 HE21 GLN 570 HE21 GLN 570 6.150 -14.984 0.434 524 HE22 GLN 570 HE22 GLN 570 7.480 -15.476 1.426 525 H ALA 571 HN ALA 571 3.077 -11.631 0.981 526 HA ALA 571 HA ALA 571 2.047 -13.350 -0.983 527 HB1 ALA 571 HB1 ALA 571 0.047 -13.444 0.389 528 HB2 ALA 571 HB2 ALA 571 0.562 -12.005 1.269 529 HB3 ALA 571 HB3 ALA 571 1.487 -13.497 1.405 530 H MET 572 HN MET 572 1.233 -10.009 -0.127 531 HA MET 572 HA MET 572 -0.893 -9.805 -1.995 532 HB2 MET 572 HB2 MET 572 0.705 -7.531 -0.811 533 HB3 MET 572 HB3 MET 572 -0.908 -7.441 -1.509 534 HG2 MET 572 HG2 MET 572 -1.602 -9.088 0.300 535 HG3 MET 572 HG3 MET 572 -0.056 -8.717 1.060 536 HE1 MET 572 HE1 MET 572 -2.134 -8.272 3.021 537 HE2 MET 572 HE2 MET 572 -1.940 -6.587 3.505 538 HE3 MET 572 HE3 MET 572 -0.519 -7.586 3.198 539 H VAL 573 HN VAL 573 2.550 -8.927 -2.119 540 HA VAL 573 HA VAL 573 2.505 -7.690 -4.635 541 HB VAL 573 HB VAL 573 4.730 -9.287 -3.341 542 HG11 VAL 573 HG11 VAL 573 5.076 -9.134 -5.754 543 HG12 VAL 573 HG12 VAL 573 6.237 -8.128 -4.887 544 HG13 VAL 573 HG13 VAL 573 4.850 -7.386 -5.684 545 HG21 VAL 573 HG21 VAL 573 5.634 -7.059 -2.781 546 HG22 VAL 573 HG22 VAL 573 4.073 -7.370 -2.020 547 HG23 VAL 573 HG23 VAL 573 4.169 -6.324 -3.437 548 H GLN 574 HN GLN 574 3.008 -11.087 -3.728 549 HA GLN 574 HA GLN 574 3.370 -12.108 -6.316 550 HB2 GLN 574 HB2 GLN 574 2.234 -13.406 -3.833 551 HB3 GLN 574 HB3 GLN 574 2.647 -14.282 -5.299 552 HG2 GLN 574 HG2 GLN 574 4.961 -13.727 -5.058 553 HG3 GLN 574 HG3 GLN 574 4.606 -12.652 -3.708 554 HE21 GLN 574 HE21 GLN 574 3.045 -15.743 -4.119 555 HE22 GLN 574 HE22 GLN 574 3.806 -16.522 -2.788 556 H TYR 575 HN TYR 575 0.470 -11.454 -4.451 557 HA TYR 575 HA TYR 575 -1.310 -12.751 -6.277 558 HB2 TYR 575 HB2 TYR 575 -1.981 -12.406 -3.952 559 HB3 TYR 575 HB3 TYR 575 -1.898 -10.660 -4.167 560 HD1 TYR 575 HD1 TYR 575 -3.646 -9.467 -5.330 561 HD2 TYR 575 HD2 TYR 575 -3.791 -13.702 -4.973 562 HE1 TYR 575 HE1 TYR 575 -5.988 -9.441 -6.068 563 HE2 TYR 575 HE2 TYR 575 -6.136 -13.688 -5.711 564 HH TYR 575 HH TYR 575 -8.041 -12.092 -5.756 565 H TYR 576 HN TYR 576 -0.569 -9.319 -5.646 566 HA TYR 576 HA TYR 576 -2.298 -8.443 -7.725 567 HB2 TYR 576 HB2 TYR 576 -0.287 -6.965 -6.039 568 HB3 TYR 576 HB3 TYR 576 -1.316 -6.174 -7.233 569 HD1 TYR 576 HD1 TYR 576 -3.865 -6.502 -6.972 570 HD2 TYR 576 HD2 TYR 576 -1.078 -7.311 -3.865 571 HE1 TYR 576 HE1 TYR 576 -5.674 -6.355 -5.312 572 HE2 TYR 576 HE2 TYR 576 -2.880 -7.162 -2.201 573 HH TYR 576 HH TYR 576 -5.047 -6.340 -1.892 574 H GLN 577 HN GLN 577 0.946 -9.487 -7.816 575 HA GLN 577 HA GLN 577 1.618 -8.032 -10.203 576 HB2 GLN 577 HB2 GLN 577 2.848 -10.460 -8.912 577 HB3 GLN 577 HB3 GLN 577 3.404 -9.849 -10.466 578 HG2 GLN 577 HG2 GLN 577 3.806 -7.645 -9.360 579 HG3 GLN 577 HG3 GLN 577 3.446 -8.422 -7.820 580 HE21 GLN 577 HE21 GLN 577 4.712 -10.940 -8.651 581 HE22 GLN 577 HE22 GLN 577 6.414 -10.655 -8.565 582 H GLU 578 HN GLU 578 0.302 -11.222 -9.491 583 HA GLU 578 HA GLU 578 0.019 -11.842 -12.304 584 HB2 GLU 578 HB2 GLU 578 -1.049 -13.351 -9.914 585 HB3 GLU 578 HB3 GLU 578 -0.902 -13.957 -11.558 586 HG2 GLU 578 HG2 GLU 578 1.369 -13.189 -9.739 587 HG3 GLU 578 HG3 GLU 578 0.865 -14.827 -10.148 588 H LYS 579 HN LYS 579 -2.089 -10.942 -9.593 589 HA LYS 579 HA LYS 579 -4.158 -10.253 -11.567 590 HB2 LYS 579 HB2 LYS 579 -4.557 -11.368 -8.782 591 HB3 LYS 579 HB3 LYS 579 -5.841 -10.729 -9.793 592 HG2 LYS 579 HG2 LYS 579 -5.383 -12.477 -11.453 593 HG3 LYS 579 HG3 LYS 579 -4.133 -13.129 -10.394 594 HD2 LYS 579 HD2 LYS 579 -6.066 -14.451 -10.035 595 HD3 LYS 579 HD3 LYS 579 -5.927 -13.391 -8.634 596 HE2 LYS 579 HE2 LYS 579 -7.637 -12.629 -10.975 597 HE3 LYS 579 HE3 LYS 579 -8.243 -13.733 -9.748 598 HZ1 LYS 579 HZ1 LYS 579 -7.383 -10.920 -9.362 599 HZ2 LYS 579 HZ2 LYS 579 -7.726 -11.972 -8.081 600 HZ3 LYS 579 HZ3 LYS 579 -8.938 -11.555 -9.185 601 HA PRO 580 HA PRO 580 -2.820 -6.428 -9.361 602 HB2 PRO 580 HB2 PRO 580 -3.574 -4.778 -11.411 603 HB3 PRO 580 HB1 PRO 580 -1.987 -5.549 -11.299 604 HG2 PRO 580 HG2 PRO 580 -4.391 -6.379 -12.878 605 HG3 PRO 580 HG3 PRO 580 -2.684 -6.358 -13.365 606 HD2 PRO 580 HD2 PRO 580 -3.915 -8.629 -12.631 607 HD3 PRO 580 HD3 PRO 580 -2.211 -8.324 -12.240 608 H ALA 581 HN ALA 581 -4.050 -4.608 -8.609 609 HA ALA 581 HA ALA 581 -6.875 -5.251 -8.327 610 HB1 ALA 581 HB1 ALA 581 -5.484 -4.677 -6.347 611 HB2 ALA 581 HB2 ALA 581 -6.889 -3.634 -6.543 612 HB3 ALA 581 HB3 ALA 581 -5.288 -3.053 -7.002 613 H ILE 582 HN ILE 582 -8.506 -4.061 -9.166 614 HA ILE 582 HA ILE 582 -7.688 -1.988 -11.078 615 HB ILE 582 HB ILE 582 -10.315 -3.474 -10.954 616 HG12 ILE 582 HG12 ILE 582 -7.955 -3.992 -12.775 617 HG13 ILE 582 HG13 ILE 582 -8.337 -4.962 -11.359 618 HG21 ILE 582 HG21 ILE 582 -9.063 -1.807 -13.135 619 HG22 ILE 582 HG22 ILE 582 -10.403 -1.316 -12.100 620 HG23 ILE 582 HG23 ILE 582 -10.609 -2.651 -13.234 621 HD11 ILE 582 HD11 ILE 582 -9.102 -6.000 -13.432 622 HD12 ILE 582 HD12 ILE 582 -10.122 -4.598 -13.751 623 HD13 ILE 582 HD13 ILE 582 -10.444 -5.622 -12.353 624 H ILE 583 HN ILE 583 -7.966 0.038 -10.449 625 HA ILE 583 HA ILE 583 -10.473 0.719 -9.047 626 HB ILE 583 HB ILE 583 -7.759 2.004 -8.684 627 HG12 ILE 583 HG12 ILE 583 -8.131 -0.050 -7.360 628 HG13 ILE 583 HG13 ILE 583 -8.000 1.379 -6.342 629 HG21 ILE 583 HG21 ILE 583 -8.835 3.609 -7.218 630 HG22 ILE 583 HG22 ILE 583 -10.406 2.876 -7.541 631 HG23 ILE 583 HG23 ILE 583 -9.531 3.687 -8.839 632 HD11 ILE 583 HD11 ILE 583 -10.430 1.430 -6.117 633 HD12 ILE 583 HD12 ILE 583 -9.741 -0.089 -5.545 634 HD13 ILE 583 HD13 ILE 583 -10.547 -0.021 -7.113 635 H ASN 584 HN ASN 584 -11.736 1.683 -10.485 636 HA ASN 584 HA ASN 584 -12.468 2.899 -12.243 637 HB2 ASN 584 HB2 ASN 584 -10.391 4.761 -11.096 638 HB3 ASN 584 HB3 ASN 584 -11.490 5.233 -12.391 639 HD21 ASN 584 HD21 ASN 584 -11.298 6.308 -9.698 640 HD22 ASN 584 HD22 ASN 584 -12.846 6.059 -8.970 641 H GLY 585 HN GLY 585 -10.782 0.931 -12.965 642 HA2 GLY 585 HA2 GLY 585 -10.051 0.220 -15.027 643 HA3 GLY 585 HA3 GLY 585 -10.022 1.883 -15.573 644 H GLU 586 HN GLU 586 -8.255 1.849 -12.765 645 HA GLU 586 HA GLU 586 -5.776 1.511 -14.295 646 HB2 GLU 586 HB2 GLU 586 -6.419 2.904 -11.708 647 HB3 GLU 586 HB3 GLU 586 -4.761 2.546 -12.164 648 HG2 GLU 586 HG2 GLU 586 -6.669 4.167 -13.833 649 HG3 GLU 586 HG3 GLU 586 -5.485 4.847 -12.717 650 H LYS 587 HN LYS 587 -4.666 -0.288 -14.132 651 HA LYS 587 HA LYS 587 -5.006 -2.213 -12.059 652 HB2 LYS 587 HB2 LYS 587 -2.737 -1.928 -14.041 653 HB3 LYS 587 HB3 LYS 587 -3.074 -3.347 -13.066 654 HG2 LYS 587 HG2 LYS 587 -4.773 -2.233 -15.285 655 HG3 LYS 587 HG3 LYS 587 -3.833 -3.722 -15.305 656 HD2 LYS 587 HD2 LYS 587 -5.271 -4.480 -13.357 657 HD3 LYS 587 HD3 LYS 587 -6.313 -3.103 -13.725 658 HE2 LYS 587 HE2 LYS 587 -5.613 -5.378 -15.572 659 HE3 LYS 587 HE3 LYS 587 -7.167 -5.108 -14.791 660 HZ1 LYS 587 HZ1 LYS 587 -7.406 -3.065 -16.062 661 HZ2 LYS 587 HZ2 LYS 587 -7.189 -4.386 -17.090 662 HZ3 LYS 587 HZ3 LYS 587 -5.909 -3.324 -16.804 663 H LEU 588 HN LEU 588 -4.302 -1.972 -10.029 664 HA LEU 588 HA LEU 588 -2.257 -0.037 -9.402 665 HB2 LEU 588 HB2 LEU 588 -3.696 -1.938 -7.563 666 HB3 LEU 588 HB1 LEU 588 -2.796 -0.508 -7.099 667 HG LEU 588 HG LEU 588 -5.384 -0.551 -8.649 668 HD11 LEU 588 HD11 LEU 588 -4.697 0.182 -5.819 669 HD12 LEU 588 HD12 LEU 588 -5.815 -1.062 -6.385 670 HD13 LEU 588 HD13 LEU 588 -6.203 0.642 -6.608 671 HD21 LEU 588 HD21 LEU 588 -3.694 1.763 -7.723 672 HD22 LEU 588 HD22 LEU 588 -5.326 1.891 -8.382 673 HD23 LEU 588 HD23 LEU 588 -4.012 1.289 -9.392 674 H LEU 589 HN LEU 589 -0.270 -0.429 -8.561 675 HA LEU 589 HA LEU 589 0.674 -3.215 -8.752 676 HB2 LEU 589 HB2 LEU 589 1.632 -1.719 -10.447 677 HB3 LEU 589 HB1 LEU 589 2.218 -0.655 -9.183 678 HG LEU 589 HG LEU 589 3.695 -2.470 -8.375 679 HD11 LEU 589 HD11 LEU 589 2.435 -4.390 -9.115 680 HD12 LEU 589 HD12 LEU 589 4.043 -4.422 -9.842 681 HD13 LEU 589 HD13 LEU 589 2.652 -3.917 -10.800 682 HD21 LEU 589 HD21 LEU 589 4.546 -0.797 -9.928 683 HD22 LEU 589 HD22 LEU 589 3.999 -1.771 -11.293 684 HD23 LEU 589 HD23 LEU 589 5.279 -2.371 -10.239 685 H ILE 590 HN ILE 590 0.866 -4.047 -6.747 686 HA ILE 590 HA ILE 590 1.959 -2.345 -4.618 687 HB ILE 590 HB ILE 590 0.681 -5.081 -4.392 688 HG12 ILE 590 HG12 ILE 590 -0.396 -2.301 -3.898 689 HG13 ILE 590 HG13 ILE 590 -1.011 -3.503 -5.022 690 HG21 ILE 590 HG21 ILE 590 1.560 -3.133 -2.264 691 HG22 ILE 590 HG22 ILE 590 2.291 -4.697 -2.623 692 HG23 ILE 590 HG23 ILE 590 0.653 -4.617 -1.974 693 HD11 ILE 590 HD11 ILE 590 -1.626 -4.914 -3.066 694 HD12 ILE 590 HD12 ILE 590 -2.489 -3.379 -3.160 695 HD13 ILE 590 HD13 ILE 590 -1.157 -3.574 -2.011 696 H ARG 591 HN ARG 591 4.047 -2.537 -4.085 697 HA ARG 591 HA ARG 591 5.443 -5.064 -4.427 698 HB2 ARG 591 HB2 ARG 591 6.276 -2.546 -5.877 699 HB3 ARG 591 HB3 ARG 591 7.331 -3.931 -5.647 700 HG2 ARG 591 HG2 ARG 591 5.645 -5.315 -6.863 701 HG3 ARG 591 HG3 ARG 591 4.777 -3.824 -7.227 702 HD2 ARG 591 HD2 ARG 591 6.173 -4.381 -9.099 703 HD3 ARG 591 HD3 ARG 591 6.830 -2.950 -8.306 704 HE ARG 591 HE ARG 591 8.097 -5.181 -7.215 705 HH11 ARG 591 HH11 ARG 591 7.866 -3.557 -10.307 706 HH12 ARG 591 HH12 ARG 591 9.456 -4.025 -10.815 707 HH21 ARG 591 HH21 ARG 591 10.183 -5.810 -7.890 708 HH22 ARG 591 HH22 ARG 591 10.774 -5.306 -9.439 709 H MET 592 HN MET 592 7.721 -4.877 -3.572 710 HA MET 592 HA MET 592 7.589 -3.475 -1.039 711 HB2 MET 592 HB2 MET 592 9.521 -5.475 -2.188 712 HB3 MET 592 HB3 MET 592 9.861 -4.617 -0.691 713 HG2 MET 592 HG2 MET 592 7.705 -5.496 0.209 714 HG3 MET 592 HG3 MET 592 7.574 -6.489 -1.243 715 HE1 MET 592 HE1 MET 592 8.572 -9.064 1.577 716 HE2 MET 592 HE2 MET 592 7.371 -8.647 0.355 717 HE3 MET 592 HE3 MET 592 7.563 -7.633 1.784 718 H SER 593 HN SER 593 9.210 -2.056 -0.277 719 HA SER 593 HA SER 593 10.045 -0.191 -2.312 720 HB2 SER 593 HB2 SER 593 10.710 1.177 -0.336 721 HB3 SER 593 HB3 SER 593 9.025 0.651 -0.287 722 HG SER 593 HG SER 593 10.887 0.241 1.533 723 H THR 594 HN THR 594 12.013 -0.006 -3.122 724 HA THR 594 HA THR 594 14.203 -1.545 -1.977 725 HB THR 594 HB THR 594 15.446 -0.694 -4.033 726 HG1 THR 594 HG1 THR 594 14.421 0.682 -5.265 727 HG21 THR 594 HG21 THR 594 14.502 -2.948 -3.887 728 HG22 THR 594 HG22 THR 594 14.327 -2.298 -5.518 729 HG23 THR 594 HG23 THR 594 12.940 -2.337 -4.430 730 H ARG 595 HN ARG 595 13.005 1.629 -1.765 731 HA ARG 595 HA ARG 595 15.703 2.763 -1.443 732 HB2 ARG 595 HB2 ARG 595 13.085 4.185 -1.905 733 HB3 ARG 595 HB3 ARG 595 14.650 4.966 -1.741 734 HG2 ARG 595 HG2 ARG 595 15.410 3.725 -3.755 735 HG3 ARG 595 HG3 ARG 595 13.763 3.114 -3.936 736 HD2 ARG 595 HD2 ARG 595 14.047 5.022 -5.371 737 HD3 ARG 595 HD3 ARG 595 12.957 5.453 -4.053 738 HE ARG 595 HE ARG 595 15.808 6.219 -4.139 739 HH11 ARG 595 HH11 ARG 595 12.476 6.925 -3.313 740 HH12 ARG 595 HH12 ARG 595 12.829 8.529 -2.754 741 HH21 ARG 595 HH21 ARG 595 16.259 8.322 -3.377 742 HH22 ARG 595 HH22 ARG 595 14.965 9.316 -2.788 743 H TYR 596 HN TYR 596 12.680 2.270 0.258 744 HA TYR 596 HA TYR 596 13.886 3.547 2.623 745 HB2 TYR 596 HB2 TYR 596 11.068 3.736 1.603 746 HB3 TYR 596 HB3 TYR 596 11.433 4.011 3.302 747 HD1 TYR 596 HD1 TYR 596 12.449 5.169 -0.109 748 HD2 TYR 596 HD2 TYR 596 12.010 6.127 4.011 749 HE1 TYR 596 HE1 TYR 596 13.031 7.508 -0.595 750 HE2 TYR 596 HE2 TYR 596 12.589 8.466 3.537 751 HH TYR 596 HH TYR 596 13.845 9.735 1.807 752 H LYS 597 HN LYS 597 13.563 2.649 4.623 753 HA LYS 597 HA LYS 597 12.574 -0.120 4.575 754 HB2 LYS 597 HB2 LYS 597 14.596 1.182 6.390 755 HB3 LYS 597 HB3 LYS 597 13.971 -0.449 6.620 756 HG2 LYS 597 HG2 LYS 597 15.727 0.601 4.422 757 HG3 LYS 597 HG3 LYS 597 16.033 -0.718 5.548 758 HD2 LYS 597 HD2 LYS 597 14.133 -1.948 4.465 759 HD3 LYS 597 HD3 LYS 597 14.094 -0.673 3.245 760 HE2 LYS 597 HE2 LYS 597 16.363 -2.540 3.869 761 HE3 LYS 597 HE3 LYS 597 15.386 -2.501 2.402 762 HZ1 LYS 597 HZ1 LYS 597 17.255 -0.384 3.321 763 HZ2 LYS 597 HZ2 LYS 597 16.295 -0.294 1.935 764 HZ3 LYS 597 HZ3 LYS 597 17.516 -1.457 2.042 765 H GLU 598 HN GLU 598 11.700 2.939 5.739 766 HA GLU 598 HA GLU 598 9.997 1.686 7.754 767 HB2 GLU 598 HB2 GLU 598 12.010 2.385 8.962 768 HB3 GLU 598 HB3 GLU 598 11.848 4.012 8.319 769 HG2 GLU 598 HG2 GLU 598 9.689 4.221 9.514 770 HG3 GLU 598 HG3 GLU 598 9.975 2.634 10.229 771 H LEU 599 HN LEU 599 8.167 2.808 8.248 772 HA LEU 599 HA LEU 599 7.573 5.159 6.569 773 HB2 LEU 599 HB2 LEU 599 5.668 3.078 7.644 774 HB3 LEU 599 HB1 LEU 599 5.183 4.519 6.771 775 HG LEU 599 HG LEU 599 6.766 2.191 5.694 776 HD11 LEU 599 HD11 LEU 599 4.872 1.994 4.151 777 HD12 LEU 599 HD12 LEU 599 4.050 3.290 5.018 778 HD13 LEU 599 HD13 LEU 599 4.398 1.766 5.832 779 HD21 LEU 599 HD21 LEU 599 7.656 4.270 4.784 780 HD22 LEU 599 HD22 LEU 599 6.027 4.771 4.324 781 HD23 LEU 599 HD23 LEU 599 6.769 3.365 3.560 782 H GLN 600 HN GLN 600 7.361 6.988 7.583 783 HA GLN 600 HA GLN 600 6.622 6.963 10.429 784 HB2 GLN 600 HB2 GLN 600 8.884 7.837 9.910 785 HB3 GLN 600 HB3 GLN 600 8.156 9.058 8.880 786 HG2 GLN 600 HG2 GLN 600 7.034 10.036 10.795 787 HG3 GLN 600 HG3 GLN 600 7.712 8.788 11.842 788 HE21 GLN 600 HE21 GLN 600 8.365 11.662 10.008 789 HE22 GLN 600 HE22 GLN 600 9.930 11.973 10.672 790 H LEU 601 HN LEU 601 4.694 7.807 10.926 791 HA LEU 601 HA LEU 601 3.041 8.872 8.834 792 HB2 LEU 601 HB2 LEU 601 2.539 8.473 11.781 793 HB3 LEU 601 HB1 LEU 601 1.329 9.051 10.653 794 HG LEU 601 HG LEU 601 2.671 6.348 10.536 795 HD11 LEU 601 HD11 LEU 601 0.496 5.479 11.214 796 HD12 LEU 601 HD12 LEU 601 -0.123 7.125 11.358 797 HD13 LEU 601 HD13 LEU 601 1.155 6.565 12.437 798 HD21 LEU 601 HD21 LEU 601 0.940 5.853 8.843 799 HD22 LEU 601 HD22 LEU 601 2.065 7.108 8.322 800 HD23 LEU 601 HD23 LEU 601 0.451 7.548 8.881 801 H LYS 602 HN LYS 602 3.983 10.849 8.232 802 HA LYS 602 HA LYS 602 4.372 13.016 10.009 803 HB2 LYS 602 HB2 LYS 602 3.645 13.078 7.072 804 HB3 LYS 602 HB3 LYS 602 4.266 14.433 7.997 805 HG2 LYS 602 HG2 LYS 602 6.361 13.170 8.367 806 HG3 LYS 602 HG3 LYS 602 5.729 11.899 7.313 807 HD2 LYS 602 HD2 LYS 602 5.515 13.514 5.488 808 HD3 LYS 602 HD3 LYS 602 6.147 14.783 6.535 809 HE2 LYS 602 HE2 LYS 602 7.638 12.281 5.793 810 HE3 LYS 602 HE3 LYS 602 7.818 13.827 4.972 811 HZ1 LYS 602 HZ1 LYS 602 8.429 13.274 7.820 812 HZ2 LYS 602 HZ2 LYS 602 8.521 14.794 7.094 813 HZ3 LYS 602 HZ3 LYS 602 9.551 13.553 6.588 814 H LYS 603 HN LYS 603 1.622 11.696 8.351 815 HA LYS 603 HA LYS 603 -0.111 13.771 9.515 816 HB2 LYS 603 HB2 LYS 603 -0.675 11.951 7.155 817 HB3 LYS 603 HB3 LYS 603 -1.730 13.222 7.758 818 HG2 LYS 603 HG2 LYS 603 0.976 13.594 6.491 819 HG3 LYS 603 HG3 LYS 603 -0.589 13.958 5.764 820 HD2 LYS 603 HD2 LYS 603 -0.995 15.651 7.481 821 HD3 LYS 603 HD3 LYS 603 0.562 15.277 8.222 822 HE2 LYS 603 HE2 LYS 603 1.663 15.911 6.090 823 HE3 LYS 603 HE3 LYS 603 0.091 16.410 5.470 824 HZ1 LYS 603 HZ1 LYS 603 1.371 18.275 6.342 825 HZ2 LYS 603 HZ2 LYS 603 1.418 17.548 7.867 826 HZ3 LYS 603 HZ3 LYS 603 -0.058 18.048 7.218 827 HA PRO 604 HA PRO 604 -1.772 10.567 12.125 828 HB2 PRO 604 HB2 PRO 604 -4.315 12.034 12.091 829 HB3 PRO 604 HB1 PRO 604 -3.237 11.692 13.445 830 HG2 PRO 604 HG2 PRO 604 -3.503 14.168 12.411 831 HG3 PRO 604 HG3 PRO 604 -1.979 13.584 13.101 832 HD2 PRO 604 HD2 PRO 604 -2.784 13.860 10.239 833 HD3 PRO 604 HD3 PRO 604 -1.215 14.173 11.006 834 H GLY 605 HN GLY 605 -3.419 8.937 12.136 835 HA2 GLY 605 HA2 GLY 605 -4.691 8.586 9.500 836 HA3 GLY 605 HA3 GLY 605 -3.881 7.276 10.348 837 H LYS 606 HN LYS 606 -6.162 6.576 9.730 838 HA LYS 606 HA LYS 606 -8.067 7.153 11.905 839 HB2 LYS 606 HB2 LYS 606 -8.576 5.724 9.286 840 HB3 LYS 606 HB3 LYS 606 -9.782 6.293 10.429 841 HG2 LYS 606 HG2 LYS 606 -9.391 8.554 9.863 842 HG3 LYS 606 HG3 LYS 606 -7.918 8.149 8.975 843 HD2 LYS 606 HD2 LYS 606 -9.260 6.899 7.343 844 HD3 LYS 606 HD3 LYS 606 -10.725 7.328 8.228 845 HE2 LYS 606 HE2 LYS 606 -10.360 9.672 7.762 846 HE3 LYS 606 HE3 LYS 606 -8.823 9.306 6.977 847 HZ1 LYS 606 HZ1 LYS 606 -9.938 8.220 5.212 848 HZ2 LYS 606 HZ2 LYS 606 -10.754 9.680 5.452 849 HZ3 LYS 606 HZ3 LYS 606 -11.422 8.236 6.026 850 H ASN 607 HN ASN 607 -9.190 5.254 12.858 851 HA ASN 607 HA ASN 607 -7.708 2.978 13.358 852 HB2 ASN 607 HB2 ASN 607 -9.637 3.548 14.701 853 HB3 ASN 607 HB3 ASN 607 -10.706 3.397 13.313 854 HD21 ASN 607 HD21 ASN 607 -11.996 1.889 14.307 855 HD22 ASN 607 HD22 ASN 607 -11.487 0.258 14.592 856 H VAL 608 HN VAL 608 -7.117 1.338 12.135 857 HA VAL 608 HA VAL 608 -8.158 1.139 9.438 858 HB VAL 608 HB VAL 608 -5.852 -0.249 10.810 859 HG11 VAL 608 HG11 VAL 608 -6.702 -1.751 9.146 860 HG12 VAL 608 HG12 VAL 608 -5.224 -1.007 8.534 861 HG13 VAL 608 HG13 VAL 608 -6.794 -0.450 7.962 862 HG21 VAL 608 HG21 VAL 608 -5.930 1.895 8.682 863 HG22 VAL 608 HG22 VAL 608 -4.477 1.154 9.354 864 HG23 VAL 608 HG23 VAL 608 -5.522 2.135 10.381 865 H ALA 609 HN ALA 609 -8.333 -0.605 12.449 866 HA ALA 609 HA ALA 609 -9.322 -3.059 11.533 867 HB1 ALA 609 HB1 ALA 609 -10.057 -1.587 14.063 868 HB2 ALA 609 HB2 ALA 609 -8.684 -2.673 13.858 869 HB3 ALA 609 HB3 ALA 609 -10.330 -3.301 13.751 870 H ALA 610 HN ALA 610 -10.889 0.044 11.972 871 HA ALA 610 HA ALA 610 -13.555 -0.804 11.568 872 HB1 ALA 610 HB1 ALA 610 -14.033 1.542 11.091 873 HB2 ALA 610 HB2 ALA 610 -12.306 1.877 10.965 874 HB3 ALA 610 HB3 ALA 610 -13.000 1.385 12.510 875 H ILE 611 HN ILE 611 -10.900 -0.108 9.443 876 HA ILE 611 HA ILE 611 -12.406 0.089 7.034 877 HB ILE 611 HB ILE 611 -9.464 -0.538 7.447 878 HG12 ILE 611 HG12 ILE 611 -10.857 2.059 6.755 879 HG13 ILE 611 HG13 ILE 611 -10.228 1.647 8.346 880 HG21 ILE 611 HG21 ILE 611 -9.159 0.088 5.126 881 HG22 ILE 611 HG22 ILE 611 -10.891 0.378 4.951 882 HG23 ILE 611 HG23 ILE 611 -10.296 -1.256 5.239 883 HD11 ILE 611 HD11 ILE 611 -8.683 3.091 7.236 884 HD12 ILE 611 HD12 ILE 611 -8.652 2.042 5.821 885 HD13 ILE 611 HD13 ILE 611 -7.966 1.480 7.344 886 H ILE 612 HN ILE 612 -10.903 -2.546 8.832 887 HA ILE 612 HA ILE 612 -11.333 -4.640 7.034 888 HB ILE 612 HB ILE 612 -11.670 -4.767 10.043 889 HG12 ILE 612 HG12 ILE 612 -9.192 -5.262 8.385 890 HG13 ILE 612 HG13 ILE 612 -9.479 -3.817 9.348 891 HG21 ILE 612 HG21 ILE 612 -11.046 -6.915 8.021 892 HG22 ILE 612 HG22 ILE 612 -12.557 -6.720 8.910 893 HG23 ILE 612 HG23 ILE 612 -11.075 -7.135 9.771 894 HD11 ILE 612 HD11 ILE 612 -9.532 -5.201 11.368 895 HD12 ILE 612 HD12 ILE 612 -8.003 -5.339 10.501 896 HD13 ILE 612 HD13 ILE 612 -9.203 -6.626 10.385 897 H GLN 613 HN GLN 613 -13.467 -3.102 9.373 898 HA GLN 613 HA GLN 613 -15.718 -4.757 8.958 899 HB2 GLN 613 HB2 GLN 613 -15.624 -1.859 9.813 900 HB3 GLN 613 HB3 GLN 613 -17.005 -2.933 9.984 901 HG2 GLN 613 HG2 GLN 613 -15.694 -4.366 11.475 902 HG3 GLN 613 HG3 GLN 613 -14.330 -3.260 11.322 903 HE21 GLN 613 HE21 GLN 613 -16.087 -0.913 11.307 904 HE22 GLN 613 HE22 GLN 613 -16.589 -0.696 12.936 905 H ASP 614 HN ASP 614 -14.438 -2.033 7.246 906 HA ASP 614 HA ASP 614 -16.686 -1.451 5.610 907 HB2 ASP 614 HB2 ASP 614 -13.739 -0.950 5.263 908 HB3 ASP 614 HB3 ASP 614 -14.874 -0.577 3.971 909 H ILE 615 HN ILE 615 -13.885 -3.561 5.142 910 HA ILE 615 HA ILE 615 -14.578 -4.524 2.586 911 HB ILE 615 HB ILE 615 -12.984 -5.854 4.787 912 HG12 ILE 615 HG12 ILE 615 -12.004 -4.279 2.398 913 HG13 ILE 615 HG13 ILE 615 -12.227 -3.583 4.001 914 HG21 ILE 615 HG21 ILE 615 -13.050 -6.425 1.824 915 HG22 ILE 615 HG22 ILE 615 -13.711 -7.458 3.090 916 HG23 ILE 615 HG23 ILE 615 -11.973 -7.182 2.997 917 HD11 ILE 615 HD11 ILE 615 -9.941 -4.102 3.757 918 HD12 ILE 615 HD12 ILE 615 -10.305 -5.725 3.181 919 HD13 ILE 615 HD13 ILE 615 -10.624 -5.294 4.860 920 H HIS 616 HN HIS 616 -15.226 -5.699 5.851 921 HA HIS 616 HA HIS 616 -16.548 -8.080 5.129 922 HB2 HIS 616 HB2 HIS 616 -16.687 -6.389 7.621 923 HB3 HIS 616 HB3 HIS 616 -17.560 -7.907 7.455 924 HD1 HIS 616 HD1 HIS 616 -15.738 -8.059 9.676 925 HD2 HIS 616 HD2 HIS 616 -14.360 -8.658 5.802 926 HE1 HIS 616 HE1 HIS 616 -13.602 -9.357 9.912 927 HE2 HIS 616 HE2 HIS 616 -12.879 -9.851 7.551 928 H SER 617 HN SER 617 -17.759 -4.803 5.673 929 HA SER 617 HA SER 617 -20.493 -5.462 5.327 930 HB2 SER 617 HB2 SER 617 -19.127 -2.793 4.920 931 HB3 SER 617 HB3 SER 617 -20.858 -3.051 5.134 932 HG SER 617 HG SER 617 -18.966 -2.758 6.998 933 H GLN 618 HN GLN 618 -17.863 -4.957 3.217 934 HA GLN 618 HA GLN 618 -17.585 -5.243 0.995 935 HB2 GLN 618 HB2 GLN 618 -20.543 -5.852 0.968 936 HB3 GLN 618 HB3 GLN 618 -19.500 -5.956 -0.444 937 HG2 GLN 618 HG2 GLN 618 -18.169 -7.675 0.663 938 HG3 GLN 618 HG3 GLN 618 -19.212 -7.567 2.080 939 HE21 GLN 618 HE21 GLN 618 -18.959 -8.618 -1.221 940 HE22 GLN 618 HE22 GLN 618 -20.378 -9.606 -1.224 941 H ARG 619 HN ARG 619 -18.054 -4.166 -1.068 942 HA ARG 619 HA ARG 619 -19.480 -1.623 -0.733 943 HB2 ARG 619 HB2 ARG 619 -16.714 -2.023 -1.875 944 HB3 ARG 619 HB3 ARG 619 -17.639 -0.541 -2.062 945 HG2 ARG 619 HG2 ARG 619 -17.613 -0.156 0.305 946 HG3 ARG 619 HG3 ARG 619 -16.864 -1.728 0.595 947 HD2 ARG 619 HD2 ARG 619 -15.273 0.178 0.699 948 HD3 ARG 619 HD3 ARG 619 -14.852 -1.041 -0.504 949 HE ARG 619 HE ARG 619 -16.403 1.176 -1.516 950 HH11 ARG 619 HH11 ARG 619 -13.193 -0.048 -0.857 951 HH12 ARG 619 HH12 ARG 619 -12.437 0.912 -2.099 952 HH21 ARG 619 HH21 ARG 619 -15.401 2.459 -3.135 953 HH22 ARG 619 HH22 ARG 619 -13.682 2.350 -3.364 954 H GLU 620 HN GLU 620 -21.189 -2.432 -1.922 955 HA GLU 620 HA GLU 620 -20.619 -2.931 -4.766 956 HB2 GLU 620 HB2 GLU 620 -22.786 -4.233 -3.110 957 HB3 GLU 620 HB3 GLU 620 -22.473 -4.520 -4.816 958 HG2 GLU 620 HG2 GLU 620 -20.302 -5.473 -4.265 959 HG3 GLU 620 HG3 GLU 620 -20.596 -5.167 -2.554 960 H ARG 621 HN ARG 621 -22.128 -2.129 -6.245 961 HA ARG 621 HA ARG 621 -24.206 -0.370 -5.136 962 HB2 ARG 621 HB2 ARG 621 -22.146 0.877 -5.940 963 HB3 ARG 621 HB3 ARG 621 -22.526 0.304 -7.556 964 HG2 ARG 621 HG2 ARG 621 -23.376 2.493 -7.407 965 HG3 ARG 621 HG3 ARG 621 -24.770 1.415 -7.298 966 HD2 ARG 621 HD2 ARG 621 -24.705 1.640 -4.839 967 HD3 ARG 621 HD3 ARG 621 -23.371 2.782 -5.002 968 HE ARG 621 HE ARG 621 -25.918 3.359 -6.335 969 HH11 ARG 621 HH11 ARG 621 -23.554 4.146 -3.871 970 HH12 ARG 621 HH12 ARG 621 -24.255 5.688 -3.510 971 HH21 ARG 621 HH21 ARG 621 -26.855 5.387 -5.845 972 HH22 ARG 621 HH22 ARG 621 -26.128 6.403 -4.639 Start of MODEL 3 1 HO5' ADN 1 H5T ADE 1 10.615 -0.796 -14.503 2 H5'1 ADN 1 H5' ADE 1 8.182 -0.772 -13.058 3 H5'2 ADN 1 H5'' ADE 1 8.696 0.274 -14.390 4 H4' ADN 1 H4' ADE 1 8.771 0.989 -11.824 5 H3' ADN 1 H3' ADE 1 9.579 2.262 -14.081 6 H2' ADN 1 H2' ADE 1 11.830 1.394 -14.135 7 HO2' ADN 1 HO2' ADE 1 13.132 3.024 -13.371 8 H1' ADN 1 H1' ADE 1 11.893 1.635 -11.072 9 H8 ADN 1 H8 ADE 1 12.386 -1.494 -13.138 10 HN61 ADN 1 H61 ADE 1 17.094 -2.209 -12.181 11 HN62 ADN 1 H62 ADE 1 18.313 -1.249 -11.374 12 H2 ADN 1 H2 ADE 1 16.302 2.550 -10.073 13 H5' U 2 H5' URI 2 10.863 5.716 -10.047 14 H5'' U 2 H5'' URI 2 9.811 4.309 -10.307 15 H4' U 2 H4' URI 2 8.991 7.174 -9.866 16 H3' U 2 H3' URI 2 9.496 5.531 -7.832 17 H2' U 2 H2' URI 2 8.123 3.676 -8.644 18 HO2' U 2 HO2' URI 2 6.645 5.385 -6.918 19 H1' U 2 H1' URI 2 5.943 5.769 -9.224 20 H3 U 2 H3 URI 2 3.042 2.953 -11.025 21 H5 U 2 H5 URI 2 6.711 1.130 -11.932 22 H6 U 2 H6 URI 2 7.809 2.935 -10.778 23 H5' C 3 H5' CYT 3 6.972 7.621 -4.721 24 H5'' C 3 H5'' CYT 3 8.119 8.886 -4.244 25 H4' C 3 H4' CYT 3 7.370 7.385 -2.407 26 H3' C 3 H3' CYT 3 9.761 8.557 -2.527 27 H2' C 3 H2' CYT 3 10.840 6.801 -3.828 28 HO2' C 3 HO2' CYT 3 11.159 6.213 -1.055 29 H1' C 3 H1' CYT 3 9.514 4.795 -1.908 30 H41 C 3 H41 CYT 3 11.368 1.474 -7.330 31 H42 C 3 H42 CYT 3 12.095 0.656 -5.963 32 H5 C 3 H5 CYT 3 10.081 3.515 -7.105 33 H6 C 3 H6 CYT 3 9.260 5.194 -5.536 34 H5' U 4 H5' URI 4 6.995 10.784 -1.135 35 H5'' U 4 H5'' URI 4 7.977 11.114 0.304 36 H4' U 4 H4' URI 4 5.094 10.657 0.029 37 H3' U 4 H3' URI 4 6.429 12.757 1.023 38 H2' U 4 H2' URI 4 7.524 11.526 2.826 39 HO2' U 4 HO2' URI 4 5.881 11.843 4.691 40 H1' U 4 H1' URI 4 4.794 10.198 3.319 41 H3 U 4 H3 URI 4 7.149 8.959 7.101 42 H5 U 4 H5 URI 4 8.661 6.676 3.920 43 H6 U 4 H6 URI 4 7.415 8.092 2.419 44 H5' U 5 H5' URI 5 3.168 12.328 0.018 45 H5'' U 5 H5'' URI 5 2.534 13.540 -1.110 46 H4' U 5 H4' URI 5 0.600 12.545 -0.605 47 H3' U 5 H3' URI 5 0.706 14.930 0.721 48 H2' U 5 H2' URI 5 1.178 14.048 2.904 49 HO2' U 5 HO2' URI 5 -1.346 14.652 2.476 50 H1' U 5 H1' URI 5 -0.640 11.665 2.217 51 H3 U 5 H3 URI 5 -0.019 9.869 6.252 52 H5 U 5 H5 URI 5 3.840 11.151 5.200 53 H6 U 5 H6 URI 5 2.900 12.082 3.190 54 H5' A 6 H5' ADE 6 -0.618 16.387 1.857 55 H5'' A 6 H5'' ADE 6 -2.287 16.587 1.290 56 H4' A 6 H4' ADE 6 -1.188 18.625 2.247 57 H3' A 6 H3' ADE 6 -3.108 18.585 0.364 58 HO3' A 6 H3T ADE 6 -1.876 21.019 0.894 59 H2' A 6 H2' ADE 6 -1.652 18.599 -1.567 60 HO2' A 6 HO2' ADE 6 -1.870 20.604 -2.399 61 H1' A 6 H1' ADE 6 0.117 20.639 -0.107 62 H8 A 6 H8 ADE 6 0.471 20.956 -2.950 63 H61 A 6 H61 ADE 6 4.039 18.322 -4.904 64 H62 A 6 H62 ADE 6 4.877 16.871 -4.402 65 H2 A 6 H2 ADE 6 3.151 15.696 -0.431 66 H1 GLY 510 HT1 GLY 510 11.736 -10.140 -5.870 67 H2 GLY 510 HT2 GLY 510 10.703 -11.055 -4.895 68 H3 GLY 510 HT3 GLY 510 12.315 -10.821 -4.438 69 HA2 GLY 510 HA3 GLY 510 10.270 -8.688 -4.649 70 HA3 GLY 510 HA2 GLY 510 10.813 -9.422 -3.146 71 H ALA 511 HN ALA 511 11.280 -7.095 -2.684 72 HA ALA 511 HA ALA 511 13.538 -5.923 -4.038 73 HB1 ALA 511 HB1 ALA 511 12.113 -5.031 -1.533 74 HB2 ALA 511 HB2 ALA 511 11.734 -4.509 -3.174 75 HB3 ALA 511 HB3 ALA 511 13.287 -4.089 -2.453 76 H MET 512 HN MET 512 15.520 -6.630 -3.675 77 HA MET 512 HA MET 512 16.173 -7.968 -1.185 78 HB2 MET 512 HB2 MET 512 18.359 -8.414 -2.276 79 HB3 MET 512 HB3 MET 512 16.985 -9.005 -3.198 80 HG2 MET 512 HG2 MET 512 17.143 -7.113 -4.699 81 HG3 MET 512 HG3 MET 512 18.463 -6.442 -3.746 82 HE1 MET 512 HE1 MET 512 17.327 -9.555 -5.879 83 HE2 MET 512 HE2 MET 512 18.034 -10.293 -4.442 84 HE3 MET 512 HE3 MET 512 18.837 -10.456 -6.002 85 H ALA 513 HN ALA 513 18.316 -7.449 -0.167 86 HA ALA 513 HA ALA 513 19.659 -6.063 1.010 87 HB1 ALA 513 HB1 ALA 513 20.451 -4.004 0.009 88 HB2 ALA 513 HB2 ALA 513 19.153 -4.058 -1.184 89 HB3 ALA 513 HB3 ALA 513 20.412 -5.292 -1.195 90 H GLN 514 HN GLN 514 16.599 -5.949 1.119 91 HA GLN 514 HA GLN 514 16.356 -3.380 2.525 92 HB2 GLN 514 HB2 GLN 514 14.239 -5.188 1.348 93 HB3 GLN 514 HB3 GLN 514 13.883 -3.777 2.336 94 HG2 GLN 514 HG2 GLN 514 15.251 -3.817 -0.345 95 HG3 GLN 514 HG3 GLN 514 13.639 -3.202 0.025 96 HE21 GLN 514 HE21 GLN 514 13.436 -1.247 1.153 97 HE22 GLN 514 HE22 GLN 514 14.747 -0.131 1.276 98 H ARG 515 HN ARG 515 14.824 -3.470 4.430 99 HA ARG 515 HA ARG 515 15.477 -5.852 6.021 100 HB2 ARG 515 HB2 ARG 515 14.866 -3.053 6.997 101 HB3 ARG 515 HB3 ARG 515 15.340 -4.420 7.998 102 HG2 ARG 515 HG2 ARG 515 17.494 -4.499 6.778 103 HG3 ARG 515 HG3 ARG 515 17.012 -3.043 5.913 104 HD2 ARG 515 HD2 ARG 515 16.863 -1.836 8.033 105 HD3 ARG 515 HD3 ARG 515 17.347 -3.297 8.898 106 HE ARG 515 HE ARG 515 19.222 -2.534 6.871 107 HH11 ARG 515 HH11 ARG 515 18.226 -1.924 10.167 108 HH12 ARG 515 HH12 ARG 515 19.788 -1.366 10.667 109 HH21 ARG 515 HH21 ARG 515 21.277 -1.801 7.524 110 HH22 ARG 515 HH22 ARG 515 21.524 -1.293 9.163 111 H LYS 516 HN LYS 516 13.889 -6.738 7.361 112 HA LYS 516 HA LYS 516 11.134 -5.851 6.820 113 HB2 LYS 516 HB2 LYS 516 12.066 -8.724 6.976 114 HB3 LYS 516 HB3 LYS 516 10.423 -8.181 6.682 115 HG2 LYS 516 HG2 LYS 516 12.728 -7.580 4.849 116 HG3 LYS 516 HG3 LYS 516 11.662 -8.971 4.667 117 HD2 LYS 516 HD2 LYS 516 9.737 -7.422 4.483 118 HD3 LYS 516 HD3 LYS 516 10.860 -6.062 4.561 119 HE2 LYS 516 HE2 LYS 516 10.194 -6.651 2.252 120 HE3 LYS 516 HE3 LYS 516 11.932 -6.765 2.528 121 HZ1 LYS 516 HZ1 LYS 516 10.101 -9.095 2.653 122 HZ2 LYS 516 HZ2 LYS 516 11.789 -9.119 2.653 123 HZ3 LYS 516 HZ3 LYS 516 10.952 -8.650 1.262 124 H GLY 517 HN GLY 517 13.505 -6.839 9.056 125 HA2 GLY 517 HA2 GLY 517 11.847 -7.885 11.104 126 HA3 GLY 517 HA3 GLY 517 13.487 -7.289 11.306 127 H ALA 518 HN ALA 518 13.728 -4.894 11.377 128 HA ALA 518 HA ALA 518 11.598 -3.806 13.064 129 HB1 ALA 518 HB1 ALA 518 14.409 -2.806 12.624 130 HB2 ALA 518 HB2 ALA 518 13.875 -3.817 13.967 131 HB3 ALA 518 HB3 ALA 518 13.253 -2.176 13.796 132 H GLY 519 HN GLY 519 10.681 -3.816 10.599 133 HA2 GLY 519 HA2 GLY 519 9.637 -1.530 9.900 134 HA3 GLY 519 HA3 GLY 519 11.286 -1.224 9.369 135 H ARG 520 HN ARG 520 8.500 -1.748 8.060 136 HA ARG 520 HA ARG 520 9.750 -3.128 5.797 137 HB2 ARG 520 HB2 ARG 520 7.000 -3.764 6.894 138 HB3 ARG 520 HB3 ARG 520 7.603 -4.324 5.341 139 HG2 ARG 520 HG2 ARG 520 9.150 -5.759 6.327 140 HG3 ARG 520 HG3 ARG 520 9.046 -4.943 7.890 141 HD2 ARG 520 HD2 ARG 520 6.911 -6.624 6.581 142 HD3 ARG 520 HD3 ARG 520 7.879 -7.059 7.991 143 HE ARG 520 HE ARG 520 5.583 -5.306 7.918 144 HH11 ARG 520 HH11 ARG 520 8.461 -6.233 9.703 145 HH12 ARG 520 HH12 ARG 520 7.860 -5.631 11.216 146 HH21 ARG 520 HH21 ARG 520 4.810 -4.504 9.905 147 HH22 ARG 520 HH22 ARG 520 5.790 -4.641 11.331 148 H VAL 521 HN VAL 521 9.372 -2.083 3.934 149 HA VAL 521 HA VAL 521 7.147 -0.166 3.897 150 HB VAL 521 HB VAL 521 9.715 0.082 2.337 151 HG11 VAL 521 HG11 VAL 521 8.759 2.379 1.881 152 HG12 VAL 521 HG12 VAL 521 7.220 1.733 2.456 153 HG13 VAL 521 HG13 VAL 521 7.998 1.028 1.044 154 HG21 VAL 521 HG21 VAL 521 10.002 0.520 4.730 155 HG22 VAL 521 HG22 VAL 521 8.691 1.695 4.663 156 HG23 VAL 521 HG23 VAL 521 10.180 1.986 3.768 157 H VAL 522 HN VAL 522 5.563 -0.662 2.604 158 HA VAL 522 HA VAL 522 6.145 -2.183 0.149 159 HB VAL 522 HB VAL 522 3.556 -2.273 1.713 160 HG11 VAL 522 HG11 VAL 522 3.065 -4.217 0.294 161 HG12 VAL 522 HG12 VAL 522 4.559 -3.924 -0.597 162 HG13 VAL 522 HG13 VAL 522 3.258 -2.731 -0.639 163 HG21 VAL 522 HG21 VAL 522 4.206 -4.527 2.410 164 HG22 VAL 522 HG22 VAL 522 5.321 -3.307 3.026 165 HG23 VAL 522 HG23 VAL 522 5.780 -4.306 1.647 166 H HIS 523 HN HIS 523 5.698 -0.967 -1.667 167 HA HIS 523 HA HIS 523 4.125 1.483 -1.246 168 HB2 HIS 523 HB2 HIS 523 6.484 1.764 -1.948 169 HB3 HIS 523 HB3 HIS 523 6.170 0.792 -3.377 170 HD1 HIS 523 HD1 HIS 523 4.796 1.907 -5.289 171 HD2 HIS 523 HD2 HIS 523 5.667 4.428 -2.102 172 HE1 HIS 523 HE1 HIS 523 4.345 4.229 -6.120 173 HE2 HIS 523 HE2 HIS 523 5.091 5.738 -4.251 174 H ILE 524 HN ILE 524 2.352 1.841 -2.412 175 HA ILE 524 HA ILE 524 1.588 -0.148 -4.445 176 HB ILE 524 HB ILE 524 -0.218 1.631 -2.787 177 HG12 ILE 524 HG12 ILE 524 0.476 -1.302 -2.521 178 HG13 ILE 524 HG13 ILE 524 0.862 -0.024 -1.380 179 HG21 ILE 524 HG21 ILE 524 -2.017 0.155 -3.651 180 HG22 ILE 524 HG22 ILE 524 -0.836 -0.602 -4.720 181 HG23 ILE 524 HG23 ILE 524 -1.228 1.105 -4.910 182 HD11 ILE 524 HD11 ILE 524 -0.984 -1.420 -0.623 183 HD12 ILE 524 HD12 ILE 524 -1.910 -0.969 -2.059 184 HD13 ILE 524 HD13 ILE 524 -1.483 0.256 -0.865 185 H CYS 525 HN CYS 525 0.911 0.631 -6.453 186 HA CYS 525 HA CYS 525 1.333 3.515 -6.865 187 HB2 CYS 525 HB2 CYS 525 2.302 1.700 -8.987 188 HB3 CYS 525 HB3 CYS 525 3.007 3.191 -8.374 189 HG CYS 525 HG CYS 525 3.223 0.141 -6.832 190 H ASN 526 HN ASN 526 0.394 4.384 -8.729 191 HA ASN 526 HA ASN 526 -0.833 4.520 -10.655 192 HB2 ASN 526 HB2 ASN 526 -1.384 1.568 -10.299 193 HB3 ASN 526 HB3 ASN 526 -1.940 2.536 -11.657 194 HD21 ASN 526 HD21 ASN 526 -0.236 0.205 -11.636 195 HD22 ASN 526 HD22 ASN 526 1.251 0.682 -12.383 196 H LEU 527 HN LEU 527 -1.678 4.964 -7.956 197 HA LEU 527 HA LEU 527 -4.507 4.280 -7.925 198 HB2 LEU 527 HB2 LEU 527 -2.746 5.877 -6.066 199 HB3 LEU 527 HB1 LEU 527 -4.474 5.716 -5.836 200 HG LEU 527 HG LEU 527 -2.585 3.363 -5.898 201 HD11 LEU 527 HD11 LEU 527 -2.016 4.846 -4.043 202 HD12 LEU 527 HD12 LEU 527 -2.778 3.365 -3.461 203 HD13 LEU 527 HD13 LEU 527 -3.703 4.864 -3.532 204 HD21 LEU 527 HD21 LEU 527 -4.932 2.874 -6.408 205 HD22 LEU 527 HD22 LEU 527 -5.420 3.677 -4.917 206 HD23 LEU 527 HD23 LEU 527 -4.453 2.203 -4.851 207 HA PRO 528 HA PRO 528 -5.184 8.001 -10.295 208 HB2 PRO 528 HB2 PRO 528 -8.041 7.639 -9.843 209 HB3 PRO 528 HB1 PRO 528 -7.131 7.501 -11.347 210 HG2 PRO 528 HG2 PRO 528 -8.254 5.368 -10.078 211 HG3 PRO 528 HG3 PRO 528 -6.809 5.249 -11.097 212 HD2 PRO 528 HD2 PRO 528 -7.035 5.302 -8.119 213 HD3 PRO 528 HD3 PRO 528 -5.932 4.372 -9.156 214 H GLU 529 HN GLU 529 -5.146 10.035 -9.587 215 HA GLU 529 HA GLU 529 -5.745 10.753 -6.926 216 HB2 GLU 529 HB2 GLU 529 -4.101 11.946 -8.330 217 HB3 GLU 529 HB3 GLU 529 -5.416 12.536 -9.340 218 HG2 GLU 529 HG2 GLU 529 -6.354 13.678 -7.340 219 HG3 GLU 529 HG3 GLU 529 -4.914 13.189 -6.448 220 H GLY 530 HN GLY 530 -7.527 11.785 -6.035 221 HA2 GLY 530 HA2 GLY 530 -9.721 12.586 -6.002 222 HA3 GLY 530 HA3 GLY 530 -9.820 12.326 -7.741 223 H SER 531 HN SER 531 -8.444 9.675 -6.379 224 HA SER 531 HA SER 531 -10.902 8.284 -5.722 225 HB2 SER 531 HB2 SER 531 -9.101 7.435 -8.004 226 HB3 SER 531 HB3 SER 531 -10.446 6.488 -7.362 227 HG SER 531 HG SER 531 -10.910 9.127 -8.205 228 H CYS 532 HN CYS 532 -7.969 9.092 -4.872 229 HA CYS 532 HA CYS 532 -6.954 6.475 -4.062 230 HB2 CYS 532 HB2 CYS 532 -5.823 9.242 -3.567 231 HB3 CYS 532 HB3 CYS 532 -5.018 7.728 -3.184 232 HG CYS 532 HG CYS 532 -5.891 8.062 -6.403 233 H THR 533 HN THR 533 -8.609 5.902 -2.566 234 HA THR 533 HA THR 533 -8.976 7.752 -0.319 235 HB THR 533 HB THR 533 -10.878 6.412 0.325 236 HG1 THR 533 HG1 THR 533 -11.054 4.619 -1.654 237 HG21 THR 533 HG21 THR 533 -11.298 8.000 -1.487 238 HG22 THR 533 HG22 THR 533 -12.299 6.560 -1.677 239 HG23 THR 533 HG23 THR 533 -10.862 6.774 -2.677 240 H GLU 534 HN GLU 534 -8.638 7.027 1.829 241 HA GLU 534 HA GLU 534 -6.457 5.279 2.194 242 HB2 GLU 534 HB2 GLU 534 -8.439 6.330 4.221 243 HB3 GLU 534 HB3 GLU 534 -6.954 5.480 4.612 244 HG2 GLU 534 HG2 GLU 534 -6.434 7.745 4.892 245 HG3 GLU 534 HG3 GLU 534 -5.737 7.332 3.318 246 H ASN 535 HN ASN 535 -9.860 4.913 2.183 247 HA ASN 535 HA ASN 535 -10.047 2.454 3.559 248 HB2 ASN 535 HB2 ASN 535 -11.897 4.155 3.061 249 HB3 ASN 535 HB3 ASN 535 -11.987 3.417 1.467 250 HD21 ASN 535 HD21 ASN 535 -14.097 2.746 1.834 251 HD22 ASN 535 HD22 ASN 535 -14.473 1.431 2.887 252 H ASP 536 HN ASP 536 -9.802 3.217 0.044 253 HA ASP 536 HA ASP 536 -10.360 0.515 -0.742 254 HB2 ASP 536 HB2 ASP 536 -9.269 2.890 -2.248 255 HB3 ASP 536 HB3 ASP 536 -9.450 1.308 -2.996 256 H VAL 537 HN VAL 537 -7.482 2.454 -0.505 257 HA VAL 537 HA VAL 537 -5.621 0.633 -1.567 258 HB VAL 537 HB VAL 537 -5.101 2.718 0.569 259 HG11 VAL 537 HG11 VAL 537 -3.233 1.490 -1.453 260 HG12 VAL 537 HG12 VAL 537 -3.230 1.165 0.281 261 HG13 VAL 537 HG13 VAL 537 -2.826 2.778 -0.316 262 HG21 VAL 537 HG21 VAL 537 -6.235 3.693 -1.338 263 HG22 VAL 537 HG22 VAL 537 -5.068 2.951 -2.434 264 HG23 VAL 537 HG23 VAL 537 -4.546 4.201 -1.306 265 H ILE 538 HN ILE 538 -6.532 1.255 1.793 266 HA ILE 538 HA ILE 538 -5.045 -0.910 2.841 267 HB ILE 538 HB ILE 538 -7.303 0.673 4.037 268 HG12 ILE 538 HG12 ILE 538 -4.302 0.702 4.371 269 HG13 ILE 538 HG13 ILE 538 -5.304 1.971 3.669 270 HG21 ILE 538 HG21 ILE 538 -7.302 -1.483 5.092 271 HG22 ILE 538 HG22 ILE 538 -6.531 -0.333 6.183 272 HG23 ILE 538 HG23 ILE 538 -5.548 -1.455 5.243 273 HD11 ILE 538 HD11 ILE 538 -5.347 1.061 6.530 274 HD12 ILE 538 HD12 ILE 538 -6.365 2.321 5.833 275 HD13 ILE 538 HD13 ILE 538 -4.617 2.543 5.913 276 H ASN 539 HN ASN 539 -8.366 -0.636 1.626 277 HA ASN 539 HA ASN 539 -9.315 -3.110 2.498 278 HB2 ASN 539 HB2 ASN 539 -9.927 -1.679 -0.095 279 HB3 ASN 539 HB3 ASN 539 -10.704 -3.180 0.382 280 HD21 ASN 539 HD21 ASN 539 -10.779 -2.312 3.225 281 HD22 ASN 539 HD22 ASN 539 -12.059 -1.169 3.303 282 H LEU 540 HN LEU 540 -7.000 -2.326 0.009 283 HA LEU 540 HA LEU 540 -6.930 -4.953 -1.119 284 HB2 LEU 540 HB2 LEU 540 -4.845 -2.769 -1.045 285 HB3 LEU 540 HB1 LEU 540 -4.768 -4.203 -2.049 286 HG LEU 540 HG LEU 540 -6.878 -2.056 -2.271 287 HD11 LEU 540 HD11 LEU 540 -5.706 -1.378 -4.285 288 HD12 LEU 540 HD12 LEU 540 -4.470 -2.602 -4.001 289 HD13 LEU 540 HD13 LEU 540 -4.647 -1.249 -2.882 290 HD21 LEU 540 HD21 LEU 540 -7.660 -4.238 -3.002 291 HD22 LEU 540 HD22 LEU 540 -6.231 -4.427 -4.017 292 HD23 LEU 540 HD23 LEU 540 -7.414 -3.172 -4.385 293 H GLY 541 HN GLY 541 -5.038 -3.181 1.313 294 HA2 GLY 541 HA2 GLY 541 -3.215 -5.243 1.863 295 HA3 GLY 541 HA3 GLY 541 -3.576 -3.884 2.912 296 H LEU 542 HN LEU 542 -6.143 -4.381 3.716 297 HA LEU 542 HA LEU 542 -5.510 -5.913 5.934 298 HB2 LEU 542 HB2 LEU 542 -8.084 -4.842 4.899 299 HB3 LEU 542 HB1 LEU 542 -8.068 -5.868 6.319 300 HG LEU 542 HG LEU 542 -6.455 -3.333 6.072 301 HD11 LEU 542 HD11 LEU 542 -8.812 -2.800 5.960 302 HD12 LEU 542 HD12 LEU 542 -8.160 -2.334 7.529 303 HD13 LEU 542 HD13 LEU 542 -9.130 -3.798 7.375 304 HD21 LEU 542 HD21 LEU 542 -7.156 -5.092 8.420 305 HD22 LEU 542 HD22 LEU 542 -6.293 -3.558 8.514 306 HD23 LEU 542 HD23 LEU 542 -5.567 -4.928 7.675 307 HA PRO 543 HA PRO 543 -8.407 -9.472 4.309 308 HB2 PRO 543 HB2 PRO 543 -7.833 -9.294 1.397 309 HB3 PRO 543 HB1 PRO 543 -9.342 -9.692 2.228 310 HG2 PRO 543 HG2 PRO 543 -9.061 -7.319 1.101 311 HG3 PRO 543 HG3 PRO 543 -9.819 -7.452 2.703 312 HD2 PRO 543 HD2 PRO 543 -6.996 -6.675 2.006 313 HD3 PRO 543 HD3 PRO 543 -8.122 -5.899 3.140 314 H PHE 544 HN PHE 544 -5.266 -8.640 2.908 315 HA PHE 544 HA PHE 544 -4.527 -11.469 2.961 316 HB2 PHE 544 HB2 PHE 544 -3.006 -9.058 1.960 317 HB3 PHE 544 HB3 PHE 544 -2.438 -10.719 1.868 318 HD1 PHE 544 HD1 PHE 544 -3.604 -12.327 0.392 319 HD2 PHE 544 HD2 PHE 544 -4.526 -8.178 0.400 320 HE1 PHE 544 HE1 PHE 544 -4.715 -12.575 -1.790 321 HE2 PHE 544 HE2 PHE 544 -5.643 -8.413 -1.776 322 HZ PHE 544 HZ PHE 544 -5.739 -10.614 -2.876 323 H GLY 545 HN GLY 545 -4.306 -8.655 4.885 324 HA2 GLY 545 HA2 GLY 545 -3.052 -9.928 7.024 325 HA3 GLY 545 HA3 GLY 545 -1.797 -9.100 6.116 326 H LYS 546 HN LYS 546 -2.524 -8.530 8.790 327 HA LYS 546 HA LYS 546 -4.288 -6.350 9.016 328 HB2 LYS 546 HB2 LYS 546 -3.654 -7.668 10.944 329 HB3 LYS 546 HB3 LYS 546 -1.971 -7.201 10.755 330 HG2 LYS 546 HG2 LYS 546 -2.860 -5.926 12.537 331 HG3 LYS 546 HG3 LYS 546 -2.672 -4.835 11.171 332 HD2 LYS 546 HD2 LYS 546 -5.014 -4.893 10.709 333 HD3 LYS 546 HD3 LYS 546 -5.267 -6.196 11.873 334 HE2 LYS 546 HE2 LYS 546 -4.514 -4.666 13.673 335 HE3 LYS 546 HE3 LYS 546 -4.410 -3.369 12.485 336 HZ1 LYS 546 HZ1 LYS 546 -6.489 -3.356 13.774 337 HZ2 LYS 546 HZ2 LYS 546 -6.894 -4.863 13.124 338 HZ3 LYS 546 HZ3 LYS 546 -6.757 -3.514 12.114 339 H VAL 547 HN VAL 547 -4.085 -4.289 8.561 340 HA VAL 547 HA VAL 547 -1.524 -3.195 7.716 341 HB VAL 547 HB VAL 547 -4.344 -2.103 7.603 342 HG11 VAL 547 HG11 VAL 547 -1.851 -0.910 6.393 343 HG12 VAL 547 HG12 VAL 547 -2.677 -0.297 7.826 344 HG13 VAL 547 HG13 VAL 547 -3.498 -0.282 6.266 345 HG21 VAL 547 HG21 VAL 547 -2.522 -3.290 5.526 346 HG22 VAL 547 HG22 VAL 547 -3.986 -2.392 5.138 347 HG23 VAL 547 HG23 VAL 547 -4.093 -3.886 6.064 348 H THR 548 HN THR 548 -0.289 -2.296 9.249 349 HA THR 548 HA THR 548 -1.532 -1.203 11.637 350 HB THR 548 HB THR 548 0.882 -0.923 12.369 351 HG1 THR 548 HG1 THR 548 2.177 -1.029 10.650 352 HG21 THR 548 HG21 THR 548 1.182 -3.311 12.815 353 HG22 THR 548 HG22 THR 548 -0.031 -3.698 11.595 354 HG23 THR 548 HG23 THR 548 -0.497 -2.833 13.059 355 H ASN 549 HN ASN 549 0.365 -0.135 8.891 356 HA ASN 549 HA ASN 549 -0.498 2.610 9.402 357 HB2 ASN 549 HB2 ASN 549 2.380 1.775 9.090 358 HB3 ASN 549 HB3 ASN 549 1.849 3.393 8.674 359 HD21 ASN 549 HD21 ASN 549 3.757 2.704 10.608 360 HD22 ASN 549 HD22 ASN 549 3.162 3.291 12.119 361 H TYR 550 HN TYR 550 -0.173 4.013 7.535 362 HA TYR 550 HA TYR 550 0.379 2.869 4.970 363 HB2 TYR 550 HB2 TYR 550 -1.887 3.237 4.054 364 HB3 TYR 550 HB3 TYR 550 -1.877 1.997 5.303 365 HD1 TYR 550 HD1 TYR 550 -3.527 4.830 4.136 366 HD2 TYR 550 HD2 TYR 550 -2.388 2.922 7.753 367 HE1 TYR 550 HE1 TYR 550 -5.290 6.040 5.333 368 HE2 TYR 550 HE2 TYR 550 -4.158 4.129 8.957 369 HH TYR 550 HH TYR 550 -5.638 5.860 8.805 370 H ILE 551 HN ILE 551 0.338 4.503 3.280 371 HA ILE 551 HA ILE 551 0.059 7.272 4.202 372 HB ILE 551 HB ILE 551 2.467 6.284 2.666 373 HG12 ILE 551 HG12 ILE 551 2.363 7.067 5.593 374 HG13 ILE 551 HG13 ILE 551 2.482 5.413 5.003 375 HG21 ILE 551 HG21 ILE 551 1.884 8.935 3.976 376 HG22 ILE 551 HG22 ILE 551 1.874 8.598 2.244 377 HG23 ILE 551 HG23 ILE 551 3.383 8.504 3.155 378 HD11 ILE 551 HD11 ILE 551 4.638 6.249 5.720 379 HD12 ILE 551 HD12 ILE 551 4.514 7.587 4.578 380 HD13 ILE 551 HD13 ILE 551 4.633 5.931 3.985 381 H LEU 552 HN LEU 552 -1.061 8.389 2.583 382 HA LEU 552 HA LEU 552 -1.110 7.023 -0.009 383 HB2 LEU 552 HB2 LEU 552 -3.222 8.764 1.245 384 HB3 LEU 552 HB1 LEU 552 -3.257 8.209 -0.418 385 HG LEU 552 HG LEU 552 -3.579 6.615 2.099 386 HD11 LEU 552 HD11 LEU 552 -5.595 7.526 1.346 387 HD12 LEU 552 HD12 LEU 552 -5.587 5.864 0.753 388 HD13 LEU 552 HD13 LEU 552 -5.212 7.189 -0.339 389 HD21 LEU 552 HD21 LEU 552 -2.048 5.330 0.759 390 HD22 LEU 552 HD22 LEU 552 -3.046 5.568 -0.674 391 HD23 LEU 552 HD23 LEU 552 -3.651 4.602 0.672 392 H MET 553 HN MET 553 -0.296 8.099 -1.715 393 HA MET 553 HA MET 553 0.467 10.909 -1.209 394 HB2 MET 553 HB2 MET 553 1.686 9.092 -3.294 395 HB3 MET 553 HB3 MET 553 2.326 10.608 -2.677 396 HG2 MET 553 HG2 MET 553 3.049 9.640 -0.695 397 HG3 MET 553 HG3 MET 553 1.986 8.245 -0.878 398 HE1 MET 553 HE1 MET 553 5.881 8.926 -3.260 399 HE2 MET 553 HE2 MET 553 5.337 9.951 -1.932 400 HE3 MET 553 HE3 MET 553 4.464 9.954 -3.464 401 H LYS 554 HN LYS 554 -1.810 11.275 -1.850 402 HA LYS 554 HA LYS 554 -2.914 10.958 -4.259 403 HB2 LYS 554 HB2 LYS 554 -3.056 13.671 -2.995 404 HB3 LYS 554 HB3 LYS 554 -4.328 12.748 -3.780 405 HG2 LYS 554 HG2 LYS 554 -3.126 12.224 -1.066 406 HG3 LYS 554 HG3 LYS 554 -4.743 12.831 -1.415 407 HD2 LYS 554 HD2 LYS 554 -5.297 10.708 -2.502 408 HD3 LYS 554 HD3 LYS 554 -3.676 10.097 -2.151 409 HE2 LYS 554 HE2 LYS 554 -5.065 9.203 -0.475 410 HE3 LYS 554 HE3 LYS 554 -4.199 10.529 0.291 411 HZ1 LYS 554 HZ1 LYS 554 -6.154 11.916 0.028 412 HZ2 LYS 554 HZ2 LYS 554 -6.539 10.509 0.888 413 HZ3 LYS 554 HZ3 LYS 554 -6.979 10.656 -0.738 414 H SER 555 HN SER 555 -0.145 12.977 -3.642 415 HA SER 555 HA SER 555 -0.521 14.762 -5.815 416 HB2 SER 555 HB2 SER 555 1.837 15.398 -5.306 417 HB3 SER 555 HB3 SER 555 0.786 15.420 -3.890 418 HG SER 555 HG SER 555 3.012 14.248 -3.936 419 H THR 556 HN THR 556 1.377 11.784 -5.363 420 HA THR 556 HA THR 556 2.325 12.018 -8.125 421 HB THR 556 HB THR 556 3.923 10.208 -7.466 422 HG1 THR 556 HG1 THR 556 4.026 9.602 -5.329 423 HG21 THR 556 HG21 THR 556 3.959 12.698 -5.759 424 HG22 THR 556 HG22 THR 556 4.600 12.556 -7.396 425 HG23 THR 556 HG23 THR 556 5.341 11.650 -6.076 426 H ASN 557 HN ASN 557 -0.315 10.761 -6.850 427 HA ASN 557 HA ASN 557 -1.738 9.036 -7.292 428 HB2 ASN 557 HB2 ASN 557 -0.011 8.754 -9.770 429 HB3 ASN 557 HB3 ASN 557 -1.535 7.914 -9.519 430 HD21 ASN 557 HD21 ASN 557 -0.011 10.939 -10.227 431 HD22 ASN 557 HD22 ASN 557 -1.447 11.794 -10.673 432 H GLN 558 HN GLN 558 0.294 8.533 -5.536 433 HA GLN 558 HA GLN 558 0.857 5.676 -5.938 434 HB2 GLN 558 HB2 GLN 558 2.899 7.741 -5.086 435 HB3 GLN 558 HB3 GLN 558 3.158 6.002 -5.071 436 HG2 GLN 558 HG2 GLN 558 2.942 5.917 -7.477 437 HG3 GLN 558 HG3 GLN 558 2.571 7.640 -7.526 438 HE21 GLN 558 HE21 GLN 558 4.313 8.135 -8.821 439 HE22 GLN 558 HE22 GLN 558 5.944 8.086 -8.254 440 H ALA 559 HN ALA 559 1.576 4.640 -3.788 441 HA ALA 559 HA ALA 559 1.032 6.177 -1.422 442 HB1 ALA 559 HB1 ALA 559 -0.811 3.946 -2.228 443 HB2 ALA 559 HB2 ALA 559 -1.218 5.660 -2.062 444 HB3 ALA 559 HB3 ALA 559 -0.773 4.714 -0.635 445 H PHE 560 HN PHE 560 1.282 4.900 0.527 446 HA PHE 560 HA PHE 560 2.955 2.486 0.166 447 HB2 PHE 560 HB2 PHE 560 3.172 4.612 2.297 448 HB3 PHE 560 HB3 PHE 560 3.986 3.062 2.388 449 HD1 PHE 560 HD1 PHE 560 5.953 2.632 1.132 450 HD2 PHE 560 HD2 PHE 560 3.818 6.261 0.604 451 HE1 PHE 560 HE1 PHE 560 7.830 3.535 -0.177 452 HE2 PHE 560 HE2 PHE 560 5.691 7.182 -0.697 453 HZ PHE 560 HZ PHE 560 7.784 5.854 -0.934 454 H LEU 561 HN LEU 561 2.663 0.794 1.568 455 HA LEU 561 HA LEU 561 0.379 0.945 3.412 456 HB2 LEU 561 HB2 LEU 561 -0.354 -0.014 1.261 457 HB3 LEU 561 HB1 LEU 561 0.911 -1.217 1.362 458 HG LEU 561 HG LEU 561 -0.183 -2.185 3.349 459 HD11 LEU 561 HD11 LEU 561 -1.283 -0.181 4.191 460 HD12 LEU 561 HD12 LEU 561 -2.456 -1.474 3.929 461 HD13 LEU 561 HD13 LEU 561 -2.333 -0.149 2.773 462 HD21 LEU 561 HD21 LEU 561 -0.668 -2.905 0.975 463 HD22 LEU 561 HD22 LEU 561 -2.133 -1.922 1.064 464 HD23 LEU 561 HD23 LEU 561 -1.919 -3.286 2.158 465 H GLU 562 HN GLU 562 1.096 0.396 5.361 466 HA GLU 562 HA GLU 562 3.427 -1.371 5.570 467 HB2 GLU 562 HB2 GLU 562 3.444 0.794 6.815 468 HB3 GLU 562 HB3 GLU 562 2.089 0.209 7.770 469 HG2 GLU 562 HG2 GLU 562 3.502 -1.688 8.519 470 HG3 GLU 562 HG3 GLU 562 4.859 -0.960 7.663 471 H MET 563 HN MET 563 3.231 -3.377 6.060 472 HA MET 563 HA MET 563 0.667 -4.373 7.088 473 HB2 MET 563 HB2 MET 563 2.799 -5.861 5.538 474 HB3 MET 563 HB3 MET 563 1.176 -6.432 5.919 475 HG2 MET 563 HG2 MET 563 0.173 -4.928 4.429 476 HG3 MET 563 HG3 MET 563 1.632 -3.952 4.304 477 HE1 MET 563 HE1 MET 563 0.041 -4.708 1.743 478 HE2 MET 563 HE2 MET 563 1.327 -5.253 0.668 479 HE3 MET 563 HE3 MET 563 1.578 -3.844 1.699 480 H ALA 564 HN ALA 564 0.697 -5.993 8.673 481 HA ALA 564 HA ALA 564 2.449 -5.333 10.768 482 HB1 ALA 564 HB1 ALA 564 0.574 -7.684 10.576 483 HB2 ALA 564 HB2 ALA 564 0.135 -6.060 11.105 484 HB3 ALA 564 HB3 ALA 564 1.271 -7.019 12.053 485 H TYR 565 HN TYR 565 2.664 -7.763 8.322 486 HA TYR 565 HA TYR 565 5.170 -8.682 9.479 487 HB2 TYR 565 HB2 TYR 565 2.861 -10.512 8.811 488 HB3 TYR 565 HB3 TYR 565 4.515 -11.076 9.018 489 HD1 TYR 565 HD1 TYR 565 1.444 -10.378 10.658 490 HD2 TYR 565 HD2 TYR 565 5.650 -10.512 11.275 491 HE1 TYR 565 HE1 TYR 565 1.078 -10.540 13.086 492 HE2 TYR 565 HE2 TYR 565 5.298 -10.678 13.699 493 HH TYR 565 HH TYR 565 2.253 -11.328 15.079 494 H THR 566 HN THR 566 6.494 -9.826 7.990 495 HA THR 566 HA THR 566 6.485 -8.652 5.398 496 HB THR 566 HB THR 566 8.568 -9.299 6.633 497 HG1 THR 566 HG1 THR 566 9.418 -10.469 4.575 498 HG21 THR 566 HG21 THR 566 9.356 -11.613 6.496 499 HG22 THR 566 HG22 THR 566 7.822 -12.096 5.771 500 HG23 THR 566 HG23 THR 566 7.864 -11.506 7.432 501 H GLU 567 HN GLU 567 5.310 -11.630 6.711 502 HA GLU 567 HA GLU 567 5.064 -13.207 4.429 503 HB2 GLU 567 HB2 GLU 567 3.317 -14.400 5.660 504 HB3 GLU 567 HB3 GLU 567 4.681 -14.036 6.707 505 HG2 GLU 567 HG2 GLU 567 3.379 -12.032 7.516 506 HG3 GLU 567 HG3 GLU 567 1.999 -12.684 6.633 507 H ALA 568 HN ALA 568 3.160 -10.520 5.567 508 HA ALA 568 HA ALA 568 0.905 -11.020 3.865 509 HB1 ALA 568 HB1 ALA 568 0.095 -8.866 4.642 510 HB2 ALA 568 HB2 ALA 568 1.666 -8.512 5.360 511 HB3 ALA 568 HB3 ALA 568 0.679 -9.824 6.002 512 H ALA 569 HN ALA 569 3.759 -8.958 3.797 513 HA ALA 569 HA ALA 569 2.993 -7.306 1.671 514 HB1 ALA 569 HB1 ALA 569 5.354 -6.698 1.544 515 HB2 ALA 569 HB2 ALA 569 5.766 -8.066 2.579 516 HB3 ALA 569 HB3 ALA 569 4.791 -6.740 3.214 517 H GLN 570 HN GLN 570 4.890 -10.314 1.710 518 HA GLN 570 HA GLN 570 5.476 -10.188 -1.068 519 HB2 GLN 570 HB2 GLN 570 6.299 -12.462 -0.855 520 HB3 GLN 570 HB3 GLN 570 6.872 -11.482 0.484 521 HG2 GLN 570 HG2 GLN 570 5.255 -12.481 1.962 522 HG3 GLN 570 HG3 GLN 570 4.542 -13.381 0.623 523 HE21 GLN 570 HE21 GLN 570 5.723 -14.383 3.091 524 HE22 GLN 570 HE22 GLN 570 7.014 -15.429 2.620 525 H ALA 571 HN ALA 571 2.903 -11.634 0.824 526 HA ALA 571 HA ALA 571 1.827 -13.269 -1.207 527 HB1 ALA 571 HB1 ALA 571 1.312 -13.580 1.161 528 HB2 ALA 571 HB2 ALA 571 -0.157 -13.390 0.204 529 HB3 ALA 571 HB3 ALA 571 0.443 -12.046 1.177 530 H MET 572 HN MET 572 1.108 -9.951 -0.173 531 HA MET 572 HA MET 572 -1.049 -9.601 -1.985 532 HB2 MET 572 HB2 MET 572 0.674 -7.415 -0.818 533 HB3 MET 572 HB3 MET 572 -0.967 -7.265 -1.430 534 HG2 MET 572 HG2 MET 572 -1.624 -8.908 0.391 535 HG3 MET 572 HG3 MET 572 -0.027 -8.606 1.074 536 HE1 MET 572 HE1 MET 572 -1.723 -6.427 3.629 537 HE2 MET 572 HE2 MET 572 -0.297 -7.392 3.251 538 HE3 MET 572 HE3 MET 572 -1.901 -8.115 3.156 539 H VAL 573 HN VAL 573 2.407 -8.757 -2.136 540 HA VAL 573 HA VAL 573 2.324 -7.421 -4.601 541 HB VAL 573 HB VAL 573 4.575 -9.029 -3.371 542 HG11 VAL 573 HG11 VAL 573 6.063 -7.834 -4.905 543 HG12 VAL 573 HG12 VAL 573 4.668 -7.086 -5.680 544 HG13 VAL 573 HG13 VAL 573 4.904 -8.832 -5.781 545 HG21 VAL 573 HG21 VAL 573 3.892 -7.128 -2.022 546 HG22 VAL 573 HG22 VAL 573 4.015 -6.065 -3.422 547 HG23 VAL 573 HG23 VAL 573 5.465 -6.818 -2.759 548 H GLN 574 HN GLN 574 2.956 -10.844 -3.855 549 HA GLN 574 HA GLN 574 3.319 -11.692 -6.509 550 HB2 GLN 574 HB2 GLN 574 2.417 -13.183 -4.047 551 HB3 GLN 574 HB3 GLN 574 2.727 -13.972 -5.588 552 HG2 GLN 574 HG2 GLN 574 4.765 -12.329 -4.109 553 HG3 GLN 574 HG3 GLN 574 4.600 -14.074 -3.941 554 HE21 GLN 574 HE21 GLN 574 6.687 -14.392 -4.699 555 HE22 GLN 574 HE22 GLN 574 7.098 -14.226 -6.361 556 H TYR 575 HN TYR 575 0.452 -11.272 -4.564 557 HA TYR 575 HA TYR 575 -1.326 -12.670 -6.285 558 HB2 TYR 575 HB2 TYR 575 -1.918 -12.194 -3.957 559 HB3 TYR 575 HB3 TYR 575 -1.913 -10.467 -4.293 560 HD1 TYR 575 HD1 TYR 575 -3.807 -9.406 -5.243 561 HD2 TYR 575 HD2 TYR 575 -3.666 -13.649 -5.001 562 HE1 TYR 575 HE1 TYR 575 -6.184 -9.515 -5.851 563 HE2 TYR 575 HE2 TYR 575 -6.046 -13.768 -5.609 564 HH TYR 575 HH TYR 575 -7.756 -11.123 -6.859 565 H TYR 576 HN TYR 576 -0.661 -9.199 -5.857 566 HA TYR 576 HA TYR 576 -2.318 -8.505 -8.069 567 HB2 TYR 576 HB2 TYR 576 -0.421 -6.851 -6.410 568 HB3 TYR 576 HB3 TYR 576 -1.461 -6.185 -7.672 569 HD1 TYR 576 HD1 TYR 576 -4.021 -6.953 -7.439 570 HD2 TYR 576 HD2 TYR 576 -1.225 -6.796 -4.249 571 HE1 TYR 576 HE1 TYR 576 -5.877 -6.739 -5.837 572 HE2 TYR 576 HE2 TYR 576 -3.065 -6.588 -2.634 573 HH TYR 576 HH TYR 576 -6.377 -7.017 -3.552 574 H GLN 577 HN GLN 577 0.948 -9.508 -7.906 575 HA GLN 577 HA GLN 577 1.793 -8.321 -10.356 576 HB2 GLN 577 HB2 GLN 577 2.692 -10.836 -8.945 577 HB3 GLN 577 HB3 GLN 577 3.409 -10.278 -10.450 578 HG2 GLN 577 HG2 GLN 577 3.378 -8.792 -7.833 579 HG3 GLN 577 HG3 GLN 577 4.757 -9.626 -8.549 580 HE21 GLN 577 HE21 GLN 577 4.373 -6.812 -7.797 581 HE22 GLN 577 HE22 GLN 577 4.699 -5.904 -9.231 582 H GLU 578 HN GLU 578 0.226 -11.386 -9.534 583 HA GLU 578 HA GLU 578 -0.069 -12.097 -12.326 584 HB2 GLU 578 HB2 GLU 578 -1.278 -13.396 -9.885 585 HB3 GLU 578 HB3 GLU 578 -1.201 -14.086 -11.498 586 HG2 GLU 578 HG2 GLU 578 1.226 -14.177 -11.342 587 HG3 GLU 578 HG3 GLU 578 1.149 -13.456 -9.734 588 H LYS 579 HN LYS 579 -2.161 -10.982 -9.676 589 HA LYS 579 HA LYS 579 -4.211 -10.296 -11.674 590 HB2 LYS 579 HB2 LYS 579 -4.758 -11.325 -8.875 591 HB3 LYS 579 HB3 LYS 579 -5.960 -10.890 -10.082 592 HG2 LYS 579 HG2 LYS 579 -6.007 -13.124 -10.372 593 HG3 LYS 579 HG3 LYS 579 -4.658 -12.773 -11.452 594 HD2 LYS 579 HD2 LYS 579 -3.101 -13.232 -9.582 595 HD3 LYS 579 HD3 LYS 579 -4.479 -13.683 -8.579 596 HE2 LYS 579 HE2 LYS 579 -5.045 -15.449 -10.197 597 HE3 LYS 579 HE3 LYS 579 -3.625 -15.020 -11.146 598 HZ1 LYS 579 HZ1 LYS 579 -2.212 -15.656 -9.312 599 HZ2 LYS 579 HZ2 LYS 579 -3.255 -16.938 -9.687 600 HZ3 LYS 579 HZ3 LYS 579 -3.561 -15.975 -8.336 601 HA PRO 580 HA PRO 580 -2.882 -6.541 -9.345 602 HB2 PRO 580 HB2 PRO 580 -3.592 -4.812 -11.343 603 HB3 PRO 580 HB1 PRO 580 -2.019 -5.606 -11.244 604 HG2 PRO 580 HG2 PRO 580 -4.405 -6.330 -12.888 605 HG3 PRO 580 HG3 PRO 580 -2.688 -6.341 -13.330 606 HD2 PRO 580 HD2 PRO 580 -4.016 -8.596 -12.693 607 HD3 PRO 580 HD3 PRO 580 -2.301 -8.369 -12.295 608 H ALA 581 HN ALA 581 -4.085 -4.724 -8.539 609 HA ALA 581 HA ALA 581 -6.955 -5.251 -8.384 610 HB1 ALA 581 HB1 ALA 581 -5.267 -3.206 -6.938 611 HB2 ALA 581 HB2 ALA 581 -5.714 -4.794 -6.313 612 HB3 ALA 581 HB3 ALA 581 -6.958 -3.579 -6.605 613 H ILE 582 HN ILE 582 -8.473 -3.983 -9.348 614 HA ILE 582 HA ILE 582 -7.392 -1.887 -11.096 615 HB ILE 582 HB ILE 582 -9.867 -3.580 -11.436 616 HG12 ILE 582 HG12 ILE 582 -7.246 -3.560 -12.949 617 HG13 ILE 582 HG13 ILE 582 -7.738 -4.784 -11.784 618 HG21 ILE 582 HG21 ILE 582 -8.686 -1.502 -13.269 619 HG22 ILE 582 HG22 ILE 582 -10.188 -1.352 -12.359 620 HG23 ILE 582 HG23 ILE 582 -10.052 -2.552 -13.644 621 HD11 ILE 582 HD11 ILE 582 -8.044 -5.555 -14.063 622 HD12 ILE 582 HD12 ILE 582 -9.105 -4.187 -14.399 623 HD13 ILE 582 HD13 ILE 582 -9.593 -5.417 -13.233 624 H ILE 583 HN ILE 583 -7.858 0.119 -10.614 625 HA ILE 583 HA ILE 583 -10.453 0.747 -9.350 626 HB ILE 583 HB ILE 583 -7.799 2.142 -8.918 627 HG12 ILE 583 HG12 ILE 583 -8.157 0.048 -7.605 628 HG13 ILE 583 HG13 ILE 583 -8.003 1.488 -6.604 629 HG21 ILE 583 HG21 ILE 583 -9.016 3.672 -7.445 630 HG22 ILE 583 HG22 ILE 583 -10.532 2.883 -7.885 631 HG23 ILE 583 HG23 ILE 583 -9.609 3.756 -9.107 632 HD11 ILE 583 HD11 ILE 583 -10.553 0.059 -7.308 633 HD12 ILE 583 HD12 ILE 583 -10.449 1.554 -6.380 634 HD13 ILE 583 HD13 ILE 583 -9.737 0.071 -5.743 635 H ASN 584 HN ASN 584 -11.698 1.828 -10.748 636 HA ASN 584 HA ASN 584 -12.403 3.116 -12.477 637 HB2 ASN 584 HB2 ASN 584 -9.792 4.589 -12.047 638 HB3 ASN 584 HB3 ASN 584 -11.106 5.146 -13.073 639 HD21 ASN 584 HD21 ASN 584 -9.985 6.554 -10.928 640 HD22 ASN 584 HD22 ASN 584 -11.213 6.777 -9.731 641 H GLY 585 HN GLY 585 -10.903 0.717 -12.964 642 HA2 GLY 585 HA2 GLY 585 -10.359 -0.396 -14.911 643 HA3 GLY 585 HA3 GLY 585 -10.358 1.137 -15.767 644 H GLU 586 HN GLU 586 -8.458 1.518 -13.076 645 HA GLU 586 HA GLU 586 -6.046 1.135 -14.707 646 HB2 GLU 586 HB2 GLU 586 -6.421 2.788 -12.204 647 HB3 GLU 586 HB3 GLU 586 -4.978 2.737 -13.206 648 HG2 GLU 586 HG2 GLU 586 -7.678 3.739 -14.081 649 HG3 GLU 586 HG3 GLU 586 -6.318 4.748 -13.594 650 H LYS 587 HN LYS 587 -4.690 -0.440 -14.227 651 HA LYS 587 HA LYS 587 -5.046 -2.161 -11.986 652 HB2 LYS 587 HB2 LYS 587 -2.782 -1.990 -13.977 653 HB3 LYS 587 HB3 LYS 587 -3.034 -3.308 -12.842 654 HG2 LYS 587 HG2 LYS 587 -5.083 -3.927 -13.928 655 HG3 LYS 587 HG3 LYS 587 -4.995 -2.515 -14.984 656 HD2 LYS 587 HD2 LYS 587 -2.930 -3.380 -15.965 657 HD3 LYS 587 HD3 LYS 587 -3.013 -4.787 -14.905 658 HE2 LYS 587 HE2 LYS 587 -5.057 -5.514 -15.952 659 HE3 LYS 587 HE3 LYS 587 -5.126 -4.044 -16.922 660 HZ1 LYS 587 HZ1 LYS 587 -2.993 -6.100 -17.087 661 HZ2 LYS 587 HZ2 LYS 587 -3.114 -4.711 -18.045 662 HZ3 LYS 587 HZ3 LYS 587 -4.276 -5.932 -18.178 663 H LEU 588 HN LEU 588 -4.245 -1.998 -10.013 664 HA LEU 588 HA LEU 588 -2.270 0.024 -9.379 665 HB2 LEU 588 HB2 LEU 588 -3.597 -1.961 -7.539 666 HB3 LEU 588 HB1 LEU 588 -2.782 -0.479 -7.084 667 HG LEU 588 HG LEU 588 -5.397 -0.694 -8.571 668 HD11 LEU 588 HD11 LEU 588 -5.661 -1.207 -6.251 669 HD12 LEU 588 HD12 LEU 588 -6.278 0.419 -6.542 670 HD13 LEU 588 HD13 LEU 588 -4.702 0.196 -5.783 671 HD21 LEU 588 HD21 LEU 588 -5.480 1.756 -8.341 672 HD22 LEU 588 HD22 LEU 588 -4.172 1.210 -9.392 673 HD23 LEU 588 HD23 LEU 588 -3.819 1.734 -7.746 674 H LEU 589 HN LEU 589 -0.242 -0.358 -8.609 675 HA LEU 589 HA LEU 589 0.729 -3.134 -8.853 676 HB2 LEU 589 HB2 LEU 589 1.668 -1.637 -10.533 677 HB3 LEU 589 HB1 LEU 589 2.206 -0.537 -9.278 678 HG LEU 589 HG LEU 589 3.670 -2.409 -8.419 679 HD11 LEU 589 HD11 LEU 589 4.219 -4.178 -10.043 680 HD12 LEU 589 HD12 LEU 589 2.884 -3.627 -11.057 681 HD13 LEU 589 HD13 LEU 589 2.561 -4.282 -9.452 682 HD21 LEU 589 HD21 LEU 589 4.192 -1.421 -11.218 683 HD22 LEU 589 HD22 LEU 589 5.397 -2.029 -10.083 684 HD23 LEU 589 HD23 LEU 589 4.533 -0.532 -9.733 685 H ILE 590 HN ILE 590 0.951 -3.988 -6.846 686 HA ILE 590 HA ILE 590 2.053 -2.287 -4.727 687 HB ILE 590 HB ILE 590 0.849 -5.057 -4.512 688 HG12 ILE 590 HG12 ILE 590 -0.266 -2.309 -3.946 689 HG13 ILE 590 HG13 ILE 590 -0.892 -3.512 -5.061 690 HG21 ILE 590 HG21 ILE 590 0.884 -4.659 -2.091 691 HG22 ILE 590 HG22 ILE 590 1.722 -3.131 -2.360 692 HG23 ILE 590 HG23 ILE 590 2.506 -4.653 -2.780 693 HD11 ILE 590 HD11 ILE 590 -0.927 -3.641 -2.049 694 HD12 ILE 590 HD12 ILE 590 -1.438 -4.951 -3.122 695 HD13 ILE 590 HD13 ILE 590 -2.304 -3.416 -3.134 696 H ARG 591 HN ARG 591 4.114 -2.473 -4.105 697 HA ARG 591 HA ARG 591 5.598 -4.935 -4.547 698 HB2 ARG 591 HB2 ARG 591 6.297 -2.322 -5.882 699 HB3 ARG 591 HB3 ARG 591 7.499 -3.569 -5.586 700 HG2 ARG 591 HG2 ARG 591 6.169 -5.136 -6.939 701 HG3 ARG 591 HG3 ARG 591 5.023 -3.838 -7.279 702 HD2 ARG 591 HD2 ARG 591 6.600 -4.119 -9.117 703 HD3 ARG 591 HD3 ARG 591 6.798 -2.546 -8.347 704 HE ARG 591 HE ARG 591 8.649 -3.954 -7.067 705 HH11 ARG 591 HH11 ARG 591 7.885 -3.836 -10.477 706 HH12 ARG 591 HH12 ARG 591 9.514 -4.149 -10.982 707 HH21 ARG 591 HH21 ARG 591 10.791 -4.372 -7.727 708 HH22 ARG 591 HH22 ARG 591 11.165 -4.463 -9.420 709 H MET 592 HN MET 592 7.785 -4.800 -3.558 710 HA MET 592 HA MET 592 7.661 -3.374 -1.027 711 HB2 MET 592 HB2 MET 592 9.727 -5.270 -2.164 712 HB3 MET 592 HB3 MET 592 9.789 -4.577 -0.547 713 HG2 MET 592 HG2 MET 592 7.664 -5.662 -0.011 714 HG3 MET 592 HG3 MET 592 7.628 -6.372 -1.623 715 HE1 MET 592 HE1 MET 592 7.340 -8.000 1.087 716 HE2 MET 592 HE2 MET 592 8.344 -9.409 0.742 717 HE3 MET 592 HE3 MET 592 7.283 -8.755 -0.506 718 H SER 593 HN SER 593 9.075 -1.710 -0.414 719 HA SER 593 HA SER 593 10.003 -0.190 -2.708 720 HB2 SER 593 HB2 SER 593 9.853 0.603 0.200 721 HB3 SER 593 HB3 SER 593 10.156 1.682 -1.164 722 HG SER 593 HG SER 593 7.881 0.077 -1.250 723 H THR 594 HN THR 594 12.007 0.418 -3.117 724 HA THR 594 HA THR 594 14.095 -1.196 -1.879 725 HB THR 594 HB THR 594 15.472 -0.330 -3.834 726 HG1 THR 594 HG1 THR 594 14.272 0.575 -5.542 727 HG21 THR 594 HG21 THR 594 12.965 -1.909 -4.416 728 HG22 THR 594 HG22 THR 594 14.475 -2.565 -3.785 729 HG23 THR 594 HG23 THR 594 14.422 -1.885 -5.410 730 H ARG 595 HN ARG 595 12.959 1.957 -1.520 731 HA ARG 595 HA ARG 595 15.666 3.061 -1.198 732 HB2 ARG 595 HB2 ARG 595 13.050 4.529 -1.513 733 HB3 ARG 595 HB3 ARG 595 14.642 5.271 -1.415 734 HG2 ARG 595 HG2 ARG 595 15.292 4.140 -3.481 735 HG3 ARG 595 HG3 ARG 595 13.690 3.405 -3.575 736 HD2 ARG 595 HD2 ARG 595 12.727 5.708 -3.605 737 HD3 ARG 595 HD3 ARG 595 14.373 6.330 -3.735 738 HE ARG 595 HE ARG 595 14.132 4.493 -5.757 739 HH11 ARG 595 HH11 ARG 595 12.510 7.443 -4.823 740 HH12 ARG 595 HH12 ARG 595 12.048 7.855 -6.445 741 HH21 ARG 595 HH21 ARG 595 13.525 5.025 -7.893 742 HH22 ARG 595 HH22 ARG 595 12.638 6.486 -8.189 743 H TYR 596 HN TYR 596 12.705 2.459 0.552 744 HA TYR 596 HA TYR 596 14.026 3.523 2.959 745 HB2 TYR 596 HB2 TYR 596 11.136 3.827 2.145 746 HB3 TYR 596 HB3 TYR 596 11.703 4.113 3.787 747 HD1 TYR 596 HD1 TYR 596 11.482 5.440 0.423 748 HD2 TYR 596 HD2 TYR 596 13.302 5.974 4.227 749 HE1 TYR 596 HE1 TYR 596 12.071 7.748 -0.186 750 HE2 TYR 596 HE2 TYR 596 13.892 8.281 3.629 751 HH TYR 596 HH TYR 596 14.252 9.636 1.623 752 H LYS 597 HN LYS 597 13.624 2.490 4.911 753 HA LYS 597 HA LYS 597 12.569 -0.234 4.625 754 HB2 LYS 597 HB2 LYS 597 14.781 0.826 6.358 755 HB3 LYS 597 HB3 LYS 597 14.016 -0.734 6.658 756 HG2 LYS 597 HG2 LYS 597 15.239 -1.701 5.079 757 HG3 LYS 597 HG3 LYS 597 14.750 -0.499 3.888 758 HD2 LYS 597 HD2 LYS 597 16.946 -0.075 5.905 759 HD3 LYS 597 HD3 LYS 597 17.215 -0.656 4.262 760 HE2 LYS 597 HE2 LYS 597 16.065 1.426 3.451 761 HE3 LYS 597 HE3 LYS 597 16.089 2.005 5.115 762 HZ1 LYS 597 HZ1 LYS 597 18.482 1.294 3.507 763 HZ2 LYS 597 HZ2 LYS 597 18.497 1.869 5.095 764 HZ3 LYS 597 HZ3 LYS 597 17.955 2.864 3.843 765 H GLU 598 HN GLU 598 11.755 2.700 5.994 766 HA GLU 598 HA GLU 598 9.956 1.333 7.845 767 HB2 GLU 598 HB2 GLU 598 11.872 2.002 9.218 768 HB3 GLU 598 HB3 GLU 598 11.731 3.651 8.633 769 HG2 GLU 598 HG2 GLU 598 9.478 3.776 9.681 770 HG3 GLU 598 HG3 GLU 598 9.765 2.175 10.365 771 H LEU 599 HN LEU 599 8.084 2.421 8.274 772 HA LEU 599 HA LEU 599 7.592 4.873 6.713 773 HB2 LEU 599 HB2 LEU 599 5.623 2.700 7.432 774 HB3 LEU 599 HB1 LEU 599 5.235 4.174 6.562 775 HG LEU 599 HG LEU 599 7.032 1.953 5.595 776 HD11 LEU 599 HD11 LEU 599 5.305 1.739 3.837 777 HD12 LEU 599 HD12 LEU 599 4.302 2.878 4.736 778 HD13 LEU 599 HD13 LEU 599 4.730 1.322 5.449 779 HD21 LEU 599 HD21 LEU 599 6.229 4.500 4.204 780 HD22 LEU 599 HD22 LEU 599 7.208 3.198 3.531 781 HD23 LEU 599 HD23 LEU 599 7.827 4.158 4.870 782 H GLN 600 HN GLN 600 7.221 6.611 7.858 783 HA GLN 600 HA GLN 600 6.114 6.302 10.563 784 HB2 GLN 600 HB2 GLN 600 8.416 7.235 10.518 785 HB3 GLN 600 HB3 GLN 600 7.837 8.556 9.512 786 HG2 GLN 600 HG2 GLN 600 6.294 9.203 11.345 787 HG3 GLN 600 HG3 GLN 600 7.030 7.956 12.349 788 HE21 GLN 600 HE21 GLN 600 7.438 11.053 10.868 789 HE22 GLN 600 HE22 GLN 600 8.871 11.505 11.718 790 H LEU 601 HN LEU 601 4.181 7.260 10.943 791 HA LEU 601 HA LEU 601 2.861 8.532 8.727 792 HB2 LEU 601 HB2 LEU 601 1.906 8.073 11.553 793 HB3 LEU 601 HB1 LEU 601 0.914 8.656 10.231 794 HG LEU 601 HG LEU 601 2.131 5.914 10.547 795 HD11 LEU 601 HD11 LEU 601 -0.723 6.854 10.248 796 HD12 LEU 601 HD12 LEU 601 0.046 6.329 11.748 797 HD13 LEU 601 HD13 LEU 601 -0.183 5.183 10.429 798 HD21 LEU 601 HD21 LEU 601 0.743 7.101 8.143 799 HD22 LEU 601 HD22 LEU 601 1.105 5.390 8.364 800 HD23 LEU 601 HD23 LEU 601 2.419 6.558 8.234 801 H LYS 602 HN LYS 602 3.860 10.452 8.337 802 HA LYS 602 HA LYS 602 4.172 12.460 10.371 803 HB2 LYS 602 HB2 LYS 602 4.294 12.676 7.354 804 HB3 LYS 602 HB3 LYS 602 4.762 13.945 8.480 805 HG2 LYS 602 HG2 LYS 602 6.502 12.455 9.391 806 HG3 LYS 602 HG3 LYS 602 6.054 11.237 8.198 807 HD2 LYS 602 HD2 LYS 602 7.988 12.431 7.412 808 HD3 LYS 602 HD3 LYS 602 6.605 12.857 6.405 809 HE2 LYS 602 HE2 LYS 602 6.349 14.953 7.543 810 HE3 LYS 602 HE3 LYS 602 7.578 14.517 8.727 811 HZ1 LYS 602 HZ1 LYS 602 8.070 14.874 5.823 812 HZ2 LYS 602 HZ2 LYS 602 9.236 14.548 7.003 813 HZ3 LYS 602 HZ3 LYS 602 8.415 16.024 7.013 814 H LYS 603 HN LYS 603 1.745 11.472 8.135 815 HA LYS 603 HA LYS 603 -0.028 13.547 9.223 816 HB2 LYS 603 HB2 LYS 603 -0.041 12.308 6.470 817 HB3 LYS 603 HB3 LYS 603 -1.444 13.127 7.135 818 HG2 LYS 603 HG2 LYS 603 -0.408 14.723 5.802 819 HG3 LYS 603 HG3 LYS 603 0.076 15.143 7.440 820 HD2 LYS 603 HD2 LYS 603 2.233 13.985 7.051 821 HD3 LYS 603 HD3 LYS 603 1.737 13.693 5.379 822 HE2 LYS 603 HE2 LYS 603 1.475 16.137 5.073 823 HE3 LYS 603 HE3 LYS 603 2.075 16.375 6.711 824 HZ1 LYS 603 HZ1 LYS 603 4.180 15.456 6.080 825 HZ2 LYS 603 HZ2 LYS 603 3.782 16.703 5.011 826 HZ3 LYS 603 HZ3 LYS 603 3.617 15.092 4.525 827 HA PRO 604 HA PRO 604 -1.985 10.044 11.095 828 HB2 PRO 604 HB2 PRO 604 -4.220 11.319 11.972 829 HB3 PRO 604 HB1 PRO 604 -2.648 11.470 12.763 830 HG2 PRO 604 HG2 PRO 604 -3.979 13.327 10.827 831 HG3 PRO 604 HG3 PRO 604 -3.095 13.707 12.317 832 HD2 PRO 604 HD2 PRO 604 -1.978 13.954 9.874 833 HD3 PRO 604 HD3 PRO 604 -1.035 13.478 11.302 834 H GLY 605 HN GLY 605 -4.048 8.869 10.993 835 HA2 GLY 605 HA2 GLY 605 -5.547 9.343 8.511 836 HA3 GLY 605 HA3 GLY 605 -4.786 7.784 8.796 837 H LYS 606 HN LYS 606 -7.226 7.500 8.364 838 HA LYS 606 HA LYS 606 -8.940 7.694 10.677 839 HB2 LYS 606 HB2 LYS 606 -9.307 6.133 8.108 840 HB3 LYS 606 HB3 LYS 606 -10.559 6.512 9.282 841 HG2 LYS 606 HG2 LYS 606 -10.449 8.838 8.759 842 HG3 LYS 606 HG3 LYS 606 -9.026 8.592 7.746 843 HD2 LYS 606 HD2 LYS 606 -10.349 7.245 6.199 844 HD3 LYS 606 HD3 LYS 606 -11.773 7.458 7.219 845 HE2 LYS 606 HE2 LYS 606 -11.838 8.988 5.331 846 HE3 LYS 606 HE3 LYS 606 -11.673 9.876 6.844 847 HZ1 LYS 606 HZ1 LYS 606 -9.282 10.056 6.397 848 HZ2 LYS 606 HZ2 LYS 606 -10.210 10.788 5.190 849 HZ3 LYS 606 HZ3 LYS 606 -9.494 9.279 4.906 850 H ASN 607 HN ASN 607 -9.895 5.703 11.720 851 HA ASN 607 HA ASN 607 -7.926 3.866 12.486 852 HB2 ASN 607 HB2 ASN 607 -10.032 4.511 13.753 853 HB3 ASN 607 HB3 ASN 607 -10.913 3.443 12.667 854 HD21 ASN 607 HD21 ASN 607 -10.697 3.226 15.502 855 HD22 ASN 607 HD22 ASN 607 -9.941 1.710 15.845 856 H VAL 608 HN VAL 608 -7.240 2.052 11.615 857 HA VAL 608 HA VAL 608 -8.143 1.270 9.022 858 HB VAL 608 HB VAL 608 -6.064 0.063 10.854 859 HG11 VAL 608 HG11 VAL 608 -6.720 -0.549 7.987 860 HG12 VAL 608 HG12 VAL 608 -6.730 -1.659 9.354 861 HG13 VAL 608 HG13 VAL 608 -5.202 -1.007 8.757 862 HG21 VAL 608 HG21 VAL 608 -5.499 2.308 10.190 863 HG22 VAL 608 HG22 VAL 608 -5.841 1.939 8.499 864 HG23 VAL 608 HG23 VAL 608 -4.474 1.173 9.313 865 H ALA 609 HN ALA 609 -8.842 0.258 12.254 866 HA ALA 609 HA ALA 609 -9.734 -2.379 11.725 867 HB1 ALA 609 HB1 ALA 609 -9.303 -1.572 13.990 868 HB2 ALA 609 HB2 ALA 609 -10.944 -2.197 13.841 869 HB3 ALA 609 HB3 ALA 609 -10.662 -0.456 13.859 870 H ALA 610 HN ALA 610 -11.298 0.765 11.584 871 HA ALA 610 HA ALA 610 -13.920 -0.095 11.032 872 HB1 ALA 610 HB1 ALA 610 -13.405 2.203 11.681 873 HB2 ALA 610 HB2 ALA 610 -14.263 2.169 10.141 874 HB3 ALA 610 HB3 ALA 610 -12.522 2.442 10.174 875 H ILE 611 HN ILE 611 -11.060 0.208 9.104 876 HA ILE 611 HA ILE 611 -12.311 0.123 6.548 877 HB ILE 611 HB ILE 611 -9.469 -0.575 7.344 878 HG12 ILE 611 HG12 ILE 611 -10.662 1.979 6.235 879 HG13 ILE 611 HG13 ILE 611 -10.130 1.739 7.895 880 HG21 ILE 611 HG21 ILE 611 -8.915 -0.254 5.001 881 HG22 ILE 611 HG22 ILE 611 -10.605 0.079 4.625 882 HG23 ILE 611 HG23 ILE 611 -10.124 -1.527 5.171 883 HD11 ILE 611 HD11 ILE 611 -8.422 1.771 5.425 884 HD12 ILE 611 HD12 ILE 611 -7.833 1.351 7.031 885 HD13 ILE 611 HD13 ILE 611 -8.464 2.970 6.717 886 H ILE 612 HN ILE 612 -11.040 -2.287 8.793 887 HA ILE 612 HA ILE 612 -11.331 -4.581 7.227 888 HB ILE 612 HB ILE 612 -11.916 -4.357 10.191 889 HG12 ILE 612 HG12 ILE 612 -9.295 -5.026 8.841 890 HG13 ILE 612 HG13 ILE 612 -9.673 -3.460 9.554 891 HG21 ILE 612 HG21 ILE 612 -11.134 -6.708 8.477 892 HG22 ILE 612 HG22 ILE 612 -12.691 -6.444 9.263 893 HG23 ILE 612 HG23 ILE 612 -11.248 -6.734 10.236 894 HD11 ILE 612 HD11 ILE 612 -9.922 -4.544 11.738 895 HD12 ILE 612 HD12 ILE 612 -8.315 -4.777 11.052 896 HD13 ILE 612 HD13 ILE 612 -9.494 -6.089 11.005 897 H GLN 613 HN GLN 613 -13.664 -2.865 9.269 898 HA GLN 613 HA GLN 613 -15.833 -4.623 8.844 899 HB2 GLN 613 HB2 GLN 613 -15.905 -1.665 9.456 900 HB3 GLN 613 HB3 GLN 613 -17.237 -2.793 9.665 901 HG2 GLN 613 HG2 GLN 613 -14.621 -2.819 11.152 902 HG3 GLN 613 HG3 GLN 613 -16.186 -2.316 11.786 903 HE21 GLN 613 HE21 GLN 613 -17.746 -3.879 12.227 904 HE22 GLN 613 HE22 GLN 613 -17.347 -5.541 12.397 905 H ASP 614 HN ASP 614 -14.523 -2.011 7.017 906 HA ASP 614 HA ASP 614 -16.708 -1.649 5.214 907 HB2 ASP 614 HB2 ASP 614 -13.866 -0.770 5.274 908 HB3 ASP 614 HB3 ASP 614 -14.692 -0.743 3.720 909 H ILE 615 HN ILE 615 -13.898 -3.744 5.245 910 HA ILE 615 HA ILE 615 -14.243 -4.765 2.607 911 HB ILE 615 HB ILE 615 -12.811 -5.936 4.998 912 HG12 ILE 615 HG12 ILE 615 -11.683 -4.440 2.619 913 HG13 ILE 615 HG13 ILE 615 -12.061 -3.678 4.163 914 HG21 ILE 615 HG21 ILE 615 -11.632 -7.339 3.403 915 HG22 ILE 615 HG22 ILE 615 -12.561 -6.647 2.075 916 HG23 ILE 615 HG23 ILE 615 -13.368 -7.629 3.298 917 HD11 ILE 615 HD11 ILE 615 -9.723 -4.163 4.032 918 HD12 ILE 615 HD12 ILE 615 -10.061 -5.858 3.691 919 HD13 ILE 615 HD13 ILE 615 -10.469 -5.179 5.264 920 H HIS 616 HN HIS 616 -15.227 -5.828 5.833 921 HA HIS 616 HA HIS 616 -16.400 -8.270 4.978 922 HB2 HIS 616 HB2 HIS 616 -16.661 -6.662 7.506 923 HB3 HIS 616 HB3 HIS 616 -17.574 -8.146 7.252 924 HD1 HIS 616 HD1 HIS 616 -16.408 -10.274 7.856 925 HD2 HIS 616 HD2 HIS 616 -13.766 -7.099 7.402 926 HE1 HIS 616 HE1 HIS 616 -14.156 -11.155 8.559 927 HE2 HIS 616 HE2 HIS 616 -12.574 -9.220 8.270 928 H SER 617 HN SER 617 -17.697 -5.013 5.388 929 HA SER 617 HA SER 617 -20.373 -5.730 4.776 930 HB2 SER 617 HB2 SER 617 -20.568 -3.241 4.192 931 HB3 SER 617 HB3 SER 617 -20.117 -3.636 5.848 932 HG SER 617 HG SER 617 -18.137 -2.904 5.518 933 H GLN 618 HN GLN 618 -17.508 -5.244 2.998 934 HA GLN 618 HA GLN 618 -16.948 -6.037 0.949 935 HB2 GLN 618 HB2 GLN 618 -19.902 -6.424 0.454 936 HB3 GLN 618 HB3 GLN 618 -18.605 -6.968 -0.602 937 HG2 GLN 618 HG2 GLN 618 -17.790 -8.444 1.174 938 HG3 GLN 618 HG3 GLN 618 -19.108 -7.906 2.214 939 HE21 GLN 618 HE21 GLN 618 -18.523 -10.580 1.314 940 HE22 GLN 618 HE22 GLN 618 -19.912 -11.121 0.440 941 H ARG 619 HN ARG 619 -18.356 -3.306 1.741 942 HA ARG 619 HA ARG 619 -18.526 -1.243 0.819 943 HB2 ARG 619 HB2 ARG 619 -16.656 -2.521 -1.173 944 HB3 ARG 619 HB3 ARG 619 -17.089 -0.819 -1.225 945 HG2 ARG 619 HG2 ARG 619 -15.721 -2.214 1.068 946 HG3 ARG 619 HG3 ARG 619 -14.944 -1.167 -0.123 947 HD2 ARG 619 HD2 ARG 619 -17.058 -0.379 1.880 948 HD3 ARG 619 HD3 ARG 619 -15.358 0.085 1.897 949 HE ARG 619 HE ARG 619 -16.281 0.969 -0.518 950 HH11 ARG 619 HH11 ARG 619 -17.171 1.506 2.831 951 HH12 ARG 619 HH12 ARG 619 -17.807 3.095 2.528 952 HH21 ARG 619 HH21 ARG 619 -17.104 3.055 -0.903 953 HH22 ARG 619 HH22 ARG 619 -17.744 3.985 0.413 954 H GLU 620 HN GLU 620 -18.707 -0.289 -1.734 955 HA GLU 620 HA GLU 620 -20.776 -1.803 -3.108 956 HB2 GLU 620 HB2 GLU 620 -21.901 -0.350 -1.390 957 HB3 GLU 620 HB3 GLU 620 -21.233 1.051 -2.214 958 HG2 GLU 620 HG2 GLU 620 -22.474 0.469 -4.227 959 HG3 GLU 620 HG3 GLU 620 -23.132 -0.951 -3.414 960 H ARG 621 HN ARG 621 -18.961 -1.944 -4.566 961 HA ARG 621 HA ARG 621 -17.705 0.273 -5.727 962 HB2 ARG 621 HB2 ARG 621 -17.034 -1.315 -7.536 963 HB3 ARG 621 HB3 ARG 621 -16.663 -1.867 -5.909 964 HG2 ARG 621 HG2 ARG 621 -18.710 -3.274 -5.988 965 HG3 ARG 621 HG3 ARG 621 -18.916 -2.797 -7.672 966 HD2 ARG 621 HD2 ARG 621 -16.795 -3.793 -8.256 967 HD3 ARG 621 HD3 ARG 621 -16.471 -4.166 -6.563 968 HE ARG 621 HE ARG 621 -18.912 -5.336 -7.425 969 HH11 ARG 621 HH11 ARG 621 -15.436 -5.736 -7.628 970 HH12 ARG 621 HH12 ARG 621 -15.526 -7.455 -7.836 971 HH21 ARG 621 HH21 ARG 621 -19.021 -7.596 -7.688 972 HH22 ARG 621 HH22 ARG 621 -17.560 -8.511 -7.858 Start of MODEL 4 1 HO5' ADN 1 H5T ADE 1 5.638 -0.646 -13.581 2 H5'1 ADN 1 H5' ADE 1 7.724 -2.386 -13.664 3 H5'2 ADN 1 H5'' ADE 1 7.844 -1.281 -12.286 4 H4' ADN 1 H4' ADE 1 8.734 -0.693 -14.718 5 H3' ADN 1 H3' ADE 1 8.541 0.776 -12.439 6 H2' ADN 1 H2' ADE 1 6.393 1.736 -12.804 7 HO2' ADN 1 HO2' ADE 1 6.812 3.774 -13.306 8 H1' ADN 1 H1' ADE 1 6.910 1.921 -15.809 9 H8 ADN 1 H8 ADE 1 4.271 -0.408 -14.882 10 HN61 ADN 1 H61 ADE 1 0.386 2.495 -14.950 11 HN62 ADN 1 H62 ADE 1 0.182 4.231 -15.012 12 H2 ADN 1 H2 ADE 1 4.306 6.005 -15.145 13 H5' U 2 H5' URI 2 11.399 3.163 -10.712 14 H5'' U 2 H5'' URI 2 10.366 2.211 -9.632 15 H4' U 2 H4' URI 2 9.959 4.843 -10.793 16 H3' U 2 H3' URI 2 9.725 3.968 -8.264 17 H2' U 2 H2' URI 2 7.846 2.479 -8.661 18 HO2' U 2 HO2' URI 2 6.934 5.088 -8.000 19 H1' U 2 H1' URI 2 6.665 4.725 -10.410 20 H3 U 2 H3 URI 2 3.297 2.489 -12.250 21 H5 U 2 H5 URI 2 5.620 -0.591 -10.597 22 H6 U 2 H6 URI 2 7.206 1.077 -9.902 23 H5' C 3 H5' CYT 3 7.925 7.264 -6.882 24 H5'' C 3 H5'' CYT 3 9.009 8.483 -6.187 25 H4' C 3 H4' CYT 3 7.686 7.425 -4.472 26 H3' C 3 H3' CYT 3 10.355 7.850 -4.168 27 H2' C 3 H2' CYT 3 11.065 5.595 -4.680 28 HO2' C 3 HO2' CYT 3 10.516 5.977 -1.959 29 H1' C 3 H1' CYT 3 8.578 4.636 -3.140 30 H41 C 3 H41 CYT 3 10.852 -0.407 -6.790 31 H42 C 3 H42 CYT 3 10.126 -1.068 -5.340 32 H5 C 3 H5 CYT 3 10.954 1.983 -7.232 33 H6 C 3 H6 CYT 3 10.384 4.195 -6.371 34 H5' U 4 H5' URI 4 8.485 10.851 -0.373 35 H5'' U 4 H5'' URI 4 8.846 9.607 0.838 36 H4' U 4 H4' URI 4 6.040 10.110 -0.069 37 H3' U 4 H3' URI 4 7.272 12.271 0.923 38 H2' U 4 H2' URI 4 8.130 11.186 2.930 39 HO2' U 4 HO2' URI 4 5.497 12.017 3.669 40 H1' U 4 H1' URI 4 5.347 9.890 3.193 41 H3 U 4 H3 URI 4 7.041 8.785 7.298 42 H5 U 4 H5 URI 4 9.302 6.604 4.513 43 H6 U 4 H6 URI 4 8.240 7.880 2.769 44 H5' U 5 H5' URI 5 3.774 11.682 -0.029 45 H5'' U 5 H5'' URI 5 3.264 12.723 -1.373 46 H4' U 5 H4' URI 5 1.228 12.070 -0.809 47 H3' U 5 H3' URI 5 1.562 14.524 0.317 48 H2' U 5 H2' URI 5 1.937 13.769 2.572 49 HO2' U 5 HO2' URI 5 -0.888 13.774 2.168 50 H1' U 5 H1' URI 5 -0.135 11.561 2.026 51 H3 U 5 H3 URI 5 0.205 9.680 6.026 52 H5 U 5 H5 URI 5 4.116 11.053 5.352 53 H6 U 5 H6 URI 5 3.356 11.960 3.256 54 H5' A 6 H5' ADE 6 -3.845 15.876 1.453 55 H5'' A 6 H5'' ADE 6 -3.074 16.700 0.087 56 H4' A 6 H4' ADE 6 -3.115 17.369 2.913 57 H3' A 6 H3' ADE 6 -3.658 18.853 0.754 58 HO3' A 6 H3T ADE 6 -3.384 20.608 2.057 59 H2' A 6 H2' ADE 6 -1.415 18.728 -0.201 60 HO2' A 6 HO2' ADE 6 -2.156 20.997 0.377 61 H1' A 6 H1' ADE 6 -0.399 19.286 2.653 62 H8 A 6 H8 ADE 6 0.697 19.086 -0.795 63 H61 A 6 H61 ADE 6 5.194 17.311 -0.230 64 H62 A 6 H62 ADE 6 6.026 16.573 1.120 65 H2 A 6 H2 ADE 6 3.124 16.447 4.526 66 H1 GLY 510 HT1 GLY 510 15.220 -3.428 -12.236 67 H2 GLY 510 HT2 GLY 510 15.604 -2.378 -10.968 68 H3 GLY 510 HT3 GLY 510 13.992 -2.612 -11.410 69 HA2 GLY 510 HA3 GLY 510 14.093 -4.916 -10.716 70 HA3 GLY 510 HA2 GLY 510 15.776 -4.679 -10.260 71 H ALA 511 HN ALA 511 14.237 -5.601 -8.312 72 HA ALA 511 HA ALA 511 13.834 -3.243 -6.606 73 HB1 ALA 511 HB1 ALA 511 11.879 -4.274 -5.590 74 HB2 ALA 511 HB2 ALA 511 12.031 -5.656 -6.675 75 HB3 ALA 511 HB3 ALA 511 11.644 -4.064 -7.326 76 H MET 512 HN MET 512 13.704 -6.788 -6.266 77 HA MET 512 HA MET 512 14.736 -8.244 -4.872 78 HB2 MET 512 HB2 MET 512 16.875 -7.362 -5.541 79 HB3 MET 512 HB3 MET 512 16.690 -5.976 -4.476 80 HG2 MET 512 HG2 MET 512 16.765 -7.473 -2.533 81 HG3 MET 512 HG3 MET 512 16.988 -8.846 -3.614 82 HE1 MET 512 HE1 MET 512 20.064 -5.435 -3.111 83 HE2 MET 512 HE2 MET 512 18.486 -5.474 -2.324 84 HE3 MET 512 HE3 MET 512 18.595 -5.248 -4.070 85 H ALA 513 HN ALA 513 14.014 -8.900 -2.973 86 HA ALA 513 HA ALA 513 12.663 -7.097 -1.232 87 HB1 ALA 513 HB1 ALA 513 13.356 -10.000 -0.800 88 HB2 ALA 513 HB2 ALA 513 11.895 -9.401 -1.582 89 HB3 ALA 513 HB3 ALA 513 12.186 -9.059 0.124 90 H GLN 514 HN GLN 514 13.923 -5.668 -0.229 91 HA GLN 514 HA GLN 514 16.435 -6.297 0.981 92 HB2 GLN 514 HB2 GLN 514 14.598 -3.912 1.167 93 HB3 GLN 514 HB3 GLN 514 16.125 -4.005 2.029 94 HG2 GLN 514 HG2 GLN 514 17.332 -4.163 -0.061 95 HG3 GLN 514 HG3 GLN 514 15.812 -4.170 -0.957 96 HE21 GLN 514 HE21 GLN 514 16.495 -2.311 -2.090 97 HE22 GLN 514 HE22 GLN 514 16.436 -0.752 -1.353 98 H ARG 515 HN ARG 515 16.583 -5.362 3.432 99 HA ARG 515 HA ARG 515 15.400 -7.265 5.104 100 HB2 ARG 515 HB2 ARG 515 16.470 -4.527 5.817 101 HB3 ARG 515 HB3 ARG 515 16.074 -5.779 6.983 102 HG2 ARG 515 HG2 ARG 515 17.780 -7.234 5.952 103 HG3 ARG 515 HG3 ARG 515 18.216 -5.907 4.876 104 HD2 ARG 515 HD2 ARG 515 18.727 -4.517 6.851 105 HD3 ARG 515 HD3 ARG 515 18.371 -5.898 7.885 106 HE ARG 515 HE ARG 515 20.384 -6.407 5.886 107 HH11 ARG 515 HH11 ARG 515 19.744 -5.269 9.129 108 HH12 ARG 515 HH12 ARG 515 21.359 -5.542 9.689 109 HH21 ARG 515 HH21 ARG 515 22.518 -6.781 6.615 110 HH22 ARG 515 HH22 ARG 515 22.941 -6.421 8.259 111 H LYS 516 HN LYS 516 13.388 -7.488 5.760 112 HA LYS 516 HA LYS 516 11.716 -5.127 6.200 113 HB2 LYS 516 HB2 LYS 516 10.938 -7.497 4.479 114 HB3 LYS 516 HB3 LYS 516 9.825 -6.246 5.007 115 HG2 LYS 516 HG2 LYS 516 12.273 -5.697 3.346 116 HG3 LYS 516 HG3 LYS 516 10.674 -6.004 2.665 117 HD2 LYS 516 HD2 LYS 516 9.777 -4.044 3.650 118 HD3 LYS 516 HD3 LYS 516 11.190 -3.833 4.687 119 HE2 LYS 516 HE2 LYS 516 11.358 -3.726 1.685 120 HE3 LYS 516 HE3 LYS 516 11.012 -2.301 2.666 121 HZ1 LYS 516 HZ1 LYS 516 13.435 -4.004 2.884 122 HZ2 LYS 516 HZ2 LYS 516 13.106 -2.644 3.830 123 HZ3 LYS 516 HZ3 LYS 516 13.367 -2.473 2.165 124 H GLY 517 HN GLY 517 12.887 -6.443 8.201 125 HA2 GLY 517 HA2 GLY 517 11.251 -8.634 9.154 126 HA3 GLY 517 HA3 GLY 517 12.624 -7.914 9.983 127 H ALA 518 HN ALA 518 12.252 -5.721 10.894 128 HA ALA 518 HA ALA 518 9.551 -5.555 12.012 129 HB1 ALA 518 HB1 ALA 518 11.371 -5.735 13.644 130 HB2 ALA 518 HB2 ALA 518 10.523 -4.196 13.787 131 HB3 ALA 518 HB3 ALA 518 12.093 -4.266 12.987 132 H GLY 519 HN GLY 519 11.763 -4.055 9.964 133 HA2 GLY 519 HA2 GLY 519 10.090 -1.633 9.756 134 HA3 GLY 519 HA3 GLY 519 11.790 -1.715 9.294 135 H ARG 520 HN ARG 520 8.591 -1.990 8.205 136 HA ARG 520 HA ARG 520 9.576 -3.140 5.676 137 HB2 ARG 520 HB2 ARG 520 6.803 -3.444 6.830 138 HB3 ARG 520 HB3 ARG 520 7.409 -4.176 5.351 139 HG2 ARG 520 HG2 ARG 520 8.739 -5.694 6.504 140 HG3 ARG 520 HG3 ARG 520 8.683 -4.753 7.996 141 HD2 ARG 520 HD2 ARG 520 6.365 -6.204 6.729 142 HD3 ARG 520 HD3 ARG 520 7.277 -6.746 8.138 143 HE ARG 520 HE ARG 520 5.539 -4.355 8.035 144 HH11 ARG 520 HH11 ARG 520 7.195 -6.872 9.844 145 HH12 ARG 520 HH12 ARG 520 6.463 -6.439 11.352 146 HH21 ARG 520 HH21 ARG 520 4.619 -3.762 10.019 147 HH22 ARG 520 HH22 ARG 520 4.983 -4.677 11.456 148 H VAL 521 HN VAL 521 9.285 -1.918 3.960 149 HA VAL 521 HA VAL 521 7.019 -0.054 3.948 150 HB VAL 521 HB VAL 521 9.554 0.250 2.344 151 HG11 VAL 521 HG11 VAL 521 8.542 2.479 1.800 152 HG12 VAL 521 HG12 VAL 521 7.034 1.876 2.491 153 HG13 VAL 521 HG13 VAL 521 7.731 1.090 1.080 154 HG21 VAL 521 HG21 VAL 521 10.004 2.174 3.729 155 HG22 VAL 521 HG22 VAL 521 9.840 0.738 4.738 156 HG23 VAL 521 HG23 VAL 521 8.520 1.899 4.634 157 H VAL 522 HN VAL 522 5.437 -0.664 2.652 158 HA VAL 522 HA VAL 522 6.125 -2.231 0.253 159 HB VAL 522 HB VAL 522 3.504 -2.358 1.759 160 HG11 VAL 522 HG11 VAL 522 3.099 -4.348 0.384 161 HG12 VAL 522 HG12 VAL 522 4.623 -4.063 -0.459 162 HG13 VAL 522 HG13 VAL 522 3.307 -2.895 -0.597 163 HG21 VAL 522 HG21 VAL 522 5.266 -3.285 3.153 164 HG22 VAL 522 HG22 VAL 522 5.802 -4.310 1.821 165 HG23 VAL 522 HG23 VAL 522 4.216 -4.567 2.548 166 H HIS 523 HN HIS 523 5.674 -1.121 -1.615 167 HA HIS 523 HA HIS 523 4.148 1.351 -1.283 168 HB2 HIS 523 HB2 HIS 523 6.485 1.638 -1.893 169 HB3 HIS 523 HB3 HIS 523 6.305 0.521 -3.236 170 HD1 HIS 523 HD1 HIS 523 5.450 1.456 -5.423 171 HD2 HIS 523 HD2 HIS 523 5.328 4.216 -2.320 172 HE1 HIS 523 HE1 HIS 523 5.048 3.681 -6.513 173 HE2 HIS 523 HE2 HIS 523 5.219 5.351 -4.642 174 H ILE 524 HN ILE 524 2.370 1.676 -2.401 175 HA ILE 524 HA ILE 524 1.633 -0.257 -4.495 176 HB ILE 524 HB ILE 524 -0.216 1.482 -2.841 177 HG12 ILE 524 HG12 ILE 524 0.521 -1.435 -2.544 178 HG13 ILE 524 HG13 ILE 524 0.871 -0.145 -1.404 179 HG21 ILE 524 HG21 ILE 524 -1.191 0.928 -4.964 180 HG22 ILE 524 HG22 ILE 524 -1.964 -0.060 -3.722 181 HG23 ILE 524 HG23 ILE 524 -0.743 -0.765 -4.781 182 HD11 ILE 524 HD11 ILE 524 -1.873 -1.142 -2.124 183 HD12 ILE 524 HD12 ILE 524 -1.493 0.107 -0.937 184 HD13 ILE 524 HD13 ILE 524 -0.970 -1.558 -0.666 185 H CYS 525 HN CYS 525 1.049 0.578 -6.494 186 HA CYS 525 HA CYS 525 1.183 3.495 -6.740 187 HB2 CYS 525 HB2 CYS 525 2.603 3.159 -8.812 188 HB3 CYS 525 HB3 CYS 525 3.400 2.859 -7.272 189 HG CYS 525 HG CYS 525 2.396 0.576 -9.596 190 H ASN 526 HN ASN 526 0.452 4.318 -8.753 191 HA ASN 526 HA ASN 526 -0.682 4.386 -10.735 192 HB2 ASN 526 HB2 ASN 526 -1.320 1.465 -10.292 193 HB3 ASN 526 HB3 ASN 526 -1.792 2.397 -11.705 194 HD21 ASN 526 HD21 ASN 526 -0.197 0.029 -11.617 195 HD22 ASN 526 HD22 ASN 526 1.348 0.432 -12.284 196 H LEU 527 HN LEU 527 -1.604 4.964 -8.087 197 HA LEU 527 HA LEU 527 -4.430 4.295 -8.070 198 HB2 LEU 527 HB2 LEU 527 -2.708 6.012 -6.282 199 HB3 LEU 527 HB1 LEU 527 -4.441 5.874 -6.080 200 HG LEU 527 HG LEU 527 -2.565 3.514 -5.938 201 HD11 LEU 527 HD11 LEU 527 -2.876 3.673 -3.496 202 HD12 LEU 527 HD12 LEU 527 -3.712 5.209 -3.722 203 HD13 LEU 527 HD13 LEU 527 -2.010 5.061 -4.156 204 HD21 LEU 527 HD21 LEU 527 -4.894 2.998 -6.482 205 HD22 LEU 527 HD22 LEU 527 -5.422 3.898 -5.062 206 HD23 LEU 527 HD23 LEU 527 -4.465 2.429 -4.870 207 HA PRO 528 HA PRO 528 -5.199 7.860 -10.626 208 HB2 PRO 528 HB2 PRO 528 -7.945 7.707 -10.525 209 HB3 PRO 528 HB1 PRO 528 -6.936 6.798 -11.648 210 HG2 PRO 528 HG2 PRO 528 -8.309 5.894 -9.187 211 HG3 PRO 528 HG3 PRO 528 -7.889 4.983 -10.641 212 HD2 PRO 528 HD2 PRO 528 -6.544 4.856 -8.224 213 HD3 PRO 528 HD3 PRO 528 -5.882 4.356 -9.791 214 H GLU 529 HN GLU 529 -5.340 9.946 -10.090 215 HA GLU 529 HA GLU 529 -5.792 10.755 -7.406 216 HB2 GLU 529 HB2 GLU 529 -4.290 11.774 -9.250 217 HB3 GLU 529 HB3 GLU 529 -5.753 12.580 -9.789 218 HG2 GLU 529 HG2 GLU 529 -4.487 12.850 -7.066 219 HG3 GLU 529 HG3 GLU 529 -4.338 14.008 -8.382 220 H GLY 530 HN GLY 530 -7.593 11.809 -6.510 221 HA2 GLY 530 HA2 GLY 530 -9.828 12.480 -6.449 222 HA3 GLY 530 HA3 GLY 530 -9.963 12.112 -8.166 223 H SER 531 HN SER 531 -8.416 9.650 -6.587 224 HA SER 531 HA SER 531 -10.782 8.103 -5.972 225 HB2 SER 531 HB2 SER 531 -8.891 7.388 -8.222 226 HB3 SER 531 HB3 SER 531 -10.137 6.312 -7.582 227 HG SER 531 HG SER 531 -11.471 8.414 -8.101 228 H CYS 532 HN CYS 532 -7.865 9.108 -5.149 229 HA CYS 532 HA CYS 532 -6.717 6.577 -4.265 230 HB2 CYS 532 HB2 CYS 532 -5.743 9.408 -3.812 231 HB3 CYS 532 HB3 CYS 532 -4.841 7.938 -3.464 232 HG CYS 532 HG CYS 532 -5.811 8.140 -6.649 233 H THR 533 HN THR 533 -8.381 5.972 -2.757 234 HA THR 533 HA THR 533 -8.725 7.823 -0.502 235 HB THR 533 HB THR 533 -10.654 6.542 0.138 236 HG1 THR 533 HG1 THR 533 -10.849 4.698 -1.800 237 HG21 THR 533 HG21 THR 533 -11.019 8.085 -1.742 238 HG22 THR 533 HG22 THR 533 -12.080 6.681 -1.843 239 HG23 THR 533 HG23 THR 533 -10.654 6.784 -2.875 240 H GLU 534 HN GLU 534 -8.381 7.055 1.633 241 HA GLU 534 HA GLU 534 -6.206 5.266 1.938 242 HB2 GLU 534 HB2 GLU 534 -8.113 6.208 4.084 243 HB3 GLU 534 HB3 GLU 534 -6.482 5.602 4.306 244 HG2 GLU 534 HG2 GLU 534 -5.579 7.547 3.084 245 HG3 GLU 534 HG3 GLU 534 -7.229 8.147 2.876 246 H ASN 535 HN ASN 535 -9.635 5.022 2.047 247 HA ASN 535 HA ASN 535 -9.879 2.578 3.426 248 HB2 ASN 535 HB2 ASN 535 -11.732 4.230 3.000 249 HB3 ASN 535 HB3 ASN 535 -11.779 3.659 1.336 250 HD21 ASN 535 HD21 ASN 535 -13.866 2.893 1.488 251 HD22 ASN 535 HD22 ASN 535 -14.292 1.497 2.427 252 H ASP 536 HN ASP 536 -9.679 3.271 -0.105 253 HA ASP 536 HA ASP 536 -10.276 0.554 -0.807 254 HB2 ASP 536 HB2 ASP 536 -9.167 2.857 -2.418 255 HB3 ASP 536 HB3 ASP 536 -9.457 1.265 -3.107 256 H VAL 537 HN VAL 537 -7.381 2.460 -0.596 257 HA VAL 537 HA VAL 537 -5.528 0.596 -1.611 258 HB VAL 537 HB VAL 537 -4.991 2.709 0.503 259 HG11 VAL 537 HG11 VAL 537 -3.130 1.505 -1.540 260 HG12 VAL 537 HG12 VAL 537 -3.157 1.080 0.174 261 HG13 VAL 537 HG13 VAL 537 -2.722 2.717 -0.326 262 HG21 VAL 537 HG21 VAL 537 -6.091 3.717 -1.382 263 HG22 VAL 537 HG22 VAL 537 -5.012 2.888 -2.506 264 HG23 VAL 537 HG23 VAL 537 -4.377 4.132 -1.432 265 H ILE 538 HN ILE 538 -6.521 1.277 1.711 266 HA ILE 538 HA ILE 538 -5.088 -0.870 2.866 267 HB ILE 538 HB ILE 538 -7.418 0.728 3.912 268 HG12 ILE 538 HG12 ILE 538 -4.462 0.791 4.540 269 HG13 ILE 538 HG13 ILE 538 -5.327 1.974 3.562 270 HG21 ILE 538 HG21 ILE 538 -5.734 -1.388 5.228 271 HG22 ILE 538 HG22 ILE 538 -7.487 -1.361 5.047 272 HG23 ILE 538 HG23 ILE 538 -6.695 -0.215 6.126 273 HD11 ILE 538 HD11 ILE 538 -4.910 2.737 5.855 274 HD12 ILE 538 HD12 ILE 538 -5.889 1.397 6.459 275 HD13 ILE 538 HD13 ILE 538 -6.628 2.655 5.465 276 H ASN 539 HN ASN 539 -8.361 -0.607 1.522 277 HA ASN 539 HA ASN 539 -9.379 -3.033 2.424 278 HB2 ASN 539 HB2 ASN 539 -9.882 -1.689 -0.240 279 HB3 ASN 539 HB3 ASN 539 -10.769 -3.093 0.332 280 HD21 ASN 539 HD21 ASN 539 -10.759 -2.032 3.113 281 HD22 ASN 539 HD22 ASN 539 -11.945 -0.789 3.117 282 H LEU 540 HN LEU 540 -7.047 -2.378 -0.093 283 HA LEU 540 HA LEU 540 -7.027 -5.068 -1.079 284 HB2 LEU 540 HB2 LEU 540 -4.934 -2.899 -1.230 285 HB3 LEU 540 HB1 LEU 540 -4.889 -4.406 -2.123 286 HG LEU 540 HG LEU 540 -6.917 -2.200 -2.445 287 HD11 LEU 540 HD11 LEU 540 -4.779 -1.630 -3.386 288 HD12 LEU 540 HD12 LEU 540 -5.905 -2.020 -4.685 289 HD13 LEU 540 HD13 LEU 540 -4.680 -3.191 -4.200 290 HD21 LEU 540 HD21 LEU 540 -7.758 -3.537 -4.332 291 HD22 LEU 540 HD22 LEU 540 -7.979 -4.353 -2.785 292 HD23 LEU 540 HD23 LEU 540 -6.677 -4.850 -3.865 293 H GLY 541 HN GLY 541 -5.084 -3.201 1.229 294 HA2 GLY 541 HA2 GLY 541 -3.232 -5.184 1.864 295 HA3 GLY 541 HA3 GLY 541 -3.686 -3.843 2.905 296 H LEU 542 HN LEU 542 -6.254 -4.452 3.612 297 HA LEU 542 HA LEU 542 -5.619 -5.958 5.855 298 HB2 LEU 542 HB2 LEU 542 -8.231 -5.031 4.754 299 HB3 LEU 542 HB1 LEU 542 -8.149 -5.963 6.236 300 HG LEU 542 HG LEU 542 -6.664 -3.371 5.812 301 HD11 LEU 542 HD11 LEU 542 -9.298 -3.864 7.189 302 HD12 LEU 542 HD12 LEU 542 -9.059 -2.973 5.689 303 HD13 LEU 542 HD13 LEU 542 -8.400 -2.347 7.199 304 HD21 LEU 542 HD21 LEU 542 -7.284 -4.976 8.289 305 HD22 LEU 542 HD22 LEU 542 -6.443 -3.429 8.245 306 HD23 LEU 542 HD23 LEU 542 -5.713 -4.851 7.502 307 HA PRO 543 HA PRO 543 -8.454 -9.571 4.146 308 HB2 PRO 543 HB2 PRO 543 -7.615 -9.411 1.290 309 HB3 PRO 543 HB1 PRO 543 -9.178 -9.875 1.983 310 HG2 PRO 543 HG2 PRO 543 -8.915 -7.495 0.885 311 HG3 PRO 543 HG3 PRO 543 -9.768 -7.651 2.437 312 HD2 PRO 543 HD2 PRO 543 -6.946 -6.758 1.915 313 HD3 PRO 543 HD3 PRO 543 -8.169 -6.044 2.986 314 H PHE 544 HN PHE 544 -5.232 -8.822 2.874 315 HA PHE 544 HA PHE 544 -4.521 -11.659 3.076 316 HB2 PHE 544 HB2 PHE 544 -2.967 -9.318 1.965 317 HB3 PHE 544 HB3 PHE 544 -2.407 -10.983 1.975 318 HD1 PHE 544 HD1 PHE 544 -3.613 -12.673 0.601 319 HD2 PHE 544 HD2 PHE 544 -4.406 -8.507 0.311 320 HE1 PHE 544 HE1 PHE 544 -4.670 -13.035 -1.592 321 HE2 PHE 544 HE2 PHE 544 -5.474 -8.857 -1.876 322 HZ PHE 544 HZ PHE 544 -5.598 -11.122 -2.837 323 H GLY 545 HN GLY 545 -4.272 -8.727 4.805 324 HA2 GLY 545 HA2 GLY 545 -3.104 -9.920 7.056 325 HA3 GLY 545 HA3 GLY 545 -1.837 -9.099 6.156 326 H LYS 546 HN LYS 546 -2.742 -8.451 8.791 327 HA LYS 546 HA LYS 546 -4.584 -6.310 8.777 328 HB2 LYS 546 HB2 LYS 546 -4.075 -7.603 10.791 329 HB3 LYS 546 HB3 LYS 546 -2.428 -6.995 10.779 330 HG2 LYS 546 HG2 LYS 546 -3.286 -4.715 11.116 331 HG3 LYS 546 HG3 LYS 546 -4.925 -5.364 11.193 332 HD2 LYS 546 HD2 LYS 546 -2.662 -6.080 13.056 333 HD3 LYS 546 HD3 LYS 546 -3.986 -4.976 13.428 334 HE2 LYS 546 HE2 LYS 546 -5.588 -6.802 13.130 335 HE3 LYS 546 HE3 LYS 546 -4.263 -7.905 12.762 336 HZ1 LYS 546 HZ1 LYS 546 -4.668 -6.484 15.334 337 HZ2 LYS 546 HZ2 LYS 546 -3.387 -7.531 14.983 338 HZ3 LYS 546 HZ3 LYS 546 -4.967 -8.123 15.048 339 H VAL 547 HN VAL 547 -4.354 -4.228 8.360 340 HA VAL 547 HA VAL 547 -1.771 -3.199 7.529 341 HB VAL 547 HB VAL 547 -4.560 -2.037 7.427 342 HG11 VAL 547 HG11 VAL 547 -3.690 -0.201 6.153 343 HG12 VAL 547 HG12 VAL 547 -2.058 -0.872 6.215 344 HG13 VAL 547 HG13 VAL 547 -2.824 -0.277 7.688 345 HG21 VAL 547 HG21 VAL 547 -2.733 -3.221 5.354 346 HG22 VAL 547 HG22 VAL 547 -4.182 -2.302 4.961 347 HG23 VAL 547 HG23 VAL 547 -4.315 -3.807 5.867 348 H THR 548 HN THR 548 -0.478 -2.348 9.022 349 HA THR 548 HA THR 548 -1.626 -1.238 11.450 350 HB THR 548 HB THR 548 0.797 -1.068 12.157 351 HG1 THR 548 HG1 THR 548 1.853 -2.813 10.496 352 HG21 THR 548 HG21 THR 548 -0.222 -3.787 11.318 353 HG22 THR 548 HG22 THR 548 -0.621 -2.954 12.820 354 HG23 THR 548 HG23 THR 548 1.033 -3.484 12.518 355 H ASN 549 HN ASN 549 0.203 -0.224 8.645 356 HA ASN 549 HA ASN 549 -0.480 2.557 9.250 357 HB2 ASN 549 HB2 ASN 549 2.319 1.565 8.732 358 HB3 ASN 549 HB3 ASN 549 1.859 3.225 8.400 359 HD21 ASN 549 HD21 ASN 549 3.855 2.460 10.176 360 HD22 ASN 549 HD22 ASN 549 3.366 2.966 11.750 361 H TYR 550 HN TYR 550 -0.253 3.975 7.405 362 HA TYR 550 HA TYR 550 0.048 2.865 4.773 363 HB2 TYR 550 HB2 TYR 550 -2.277 3.357 4.071 364 HB3 TYR 550 HB3 TYR 550 -2.222 2.096 5.301 365 HD1 TYR 550 HD1 TYR 550 -3.827 5.018 4.318 366 HD2 TYR 550 HD2 TYR 550 -2.433 3.029 7.804 367 HE1 TYR 550 HE1 TYR 550 -5.349 6.359 5.708 368 HE2 TYR 550 HE2 TYR 550 -3.968 4.358 9.189 369 HH TYR 550 HH TYR 550 -6.366 6.433 7.743 370 H ILE 551 HN ILE 551 0.026 4.551 3.145 371 HA ILE 551 HA ILE 551 -0.103 7.309 4.090 372 HB ILE 551 HB ILE 551 2.346 6.154 2.741 373 HG12 ILE 551 HG12 ILE 551 2.040 7.187 5.572 374 HG13 ILE 551 HG13 ILE 551 2.202 5.494 5.123 375 HG21 ILE 551 HG21 ILE 551 3.334 8.367 3.107 376 HG22 ILE 551 HG22 ILE 551 1.793 8.935 3.746 377 HG23 ILE 551 HG23 ILE 551 1.916 8.432 2.059 378 HD11 ILE 551 HD11 ILE 551 4.437 5.940 4.259 379 HD12 ILE 551 HD12 ILE 551 4.289 6.389 5.959 380 HD13 ILE 551 HD13 ILE 551 4.272 7.637 4.712 381 H LEU 552 HN LEU 552 -1.028 8.539 2.432 382 HA LEU 552 HA LEU 552 -1.202 7.164 -0.155 383 HB2 LEU 552 HB2 LEU 552 -3.066 9.134 1.139 384 HB3 LEU 552 HB1 LEU 552 -3.161 8.700 -0.557 385 HG LEU 552 HG LEU 552 -3.673 6.968 1.840 386 HD11 LEU 552 HD11 LEU 552 -5.843 6.725 0.774 387 HD12 LEU 552 HD12 LEU 552 -5.310 7.743 -0.559 388 HD13 LEU 552 HD13 LEU 552 -5.465 8.421 1.062 389 HD21 LEU 552 HD21 LEU 552 -4.033 5.116 0.277 390 HD22 LEU 552 HD22 LEU 552 -2.353 5.649 0.272 391 HD23 LEU 552 HD23 LEU 552 -3.428 6.114 -1.046 392 H MET 553 HN MET 553 -0.236 8.071 -1.859 393 HA MET 553 HA MET 553 0.769 10.829 -1.479 394 HB2 MET 553 HB2 MET 553 1.864 8.801 -3.434 395 HB3 MET 553 HB3 MET 553 2.602 10.314 -2.931 396 HG2 MET 553 HG2 MET 553 3.169 9.458 -0.819 397 HG3 MET 553 HG3 MET 553 2.114 8.060 -1.015 398 HE1 MET 553 HE1 MET 553 6.086 8.677 -3.282 399 HE2 MET 553 HE2 MET 553 5.476 9.767 -2.036 400 HE3 MET 553 HE3 MET 553 4.650 9.654 -3.590 401 H LYS 554 HN LYS 554 -1.468 11.316 -2.161 402 HA LYS 554 HA LYS 554 -2.548 11.072 -4.581 403 HB2 LYS 554 HB2 LYS 554 -2.453 13.791 -3.321 404 HB3 LYS 554 HB3 LYS 554 -3.779 13.019 -4.178 405 HG2 LYS 554 HG2 LYS 554 -2.757 12.322 -1.434 406 HG3 LYS 554 HG3 LYS 554 -4.279 13.114 -1.830 407 HD2 LYS 554 HD2 LYS 554 -4.926 11.043 -3.083 408 HD3 LYS 554 HD3 LYS 554 -3.468 10.266 -2.449 409 HE2 LYS 554 HE2 LYS 554 -5.398 9.693 -1.090 410 HE3 LYS 554 HE3 LYS 554 -4.258 10.668 -0.165 411 HZ1 LYS 554 HZ1 LYS 554 -6.755 11.659 -1.443 412 HZ2 LYS 554 HZ2 LYS 554 -5.657 12.605 -0.567 413 HZ3 LYS 554 HZ3 LYS 554 -6.528 11.385 0.213 414 H SER 555 HN SER 555 0.388 12.868 -3.976 415 HA SER 555 HA SER 555 0.125 14.649 -6.177 416 HB2 SER 555 HB2 SER 555 2.516 15.151 -5.673 417 HB3 SER 555 HB3 SER 555 1.469 15.260 -4.260 418 HG SER 555 HG SER 555 3.608 13.983 -4.237 419 H THR 556 HN THR 556 1.876 11.600 -5.652 420 HA THR 556 HA THR 556 2.789 11.671 -8.430 421 HB THR 556 HB THR 556 4.290 9.797 -7.719 422 HG1 THR 556 HG1 THR 556 4.417 9.324 -5.526 423 HG21 THR 556 HG21 THR 556 4.493 12.349 -6.117 424 HG22 THR 556 HG22 THR 556 5.106 12.098 -7.751 425 HG23 THR 556 HG23 THR 556 5.806 11.208 -6.398 426 H ASN 557 HN ASN 557 0.108 10.601 -7.041 427 HA ASN 557 HA ASN 557 -1.442 8.979 -7.440 428 HB2 ASN 557 HB2 ASN 557 0.260 8.531 -9.900 429 HB3 ASN 557 HB3 ASN 557 -1.266 7.706 -9.607 430 HD21 ASN 557 HD21 ASN 557 -3.176 8.866 -9.685 431 HD22 ASN 557 HD22 ASN 557 -3.273 10.416 -10.459 432 H GLN 558 HN GLN 558 0.540 8.417 -5.660 433 HA GLN 558 HA GLN 558 0.968 5.529 -5.971 434 HB2 GLN 558 HB2 GLN 558 3.067 7.549 -5.146 435 HB3 GLN 558 HB3 GLN 558 3.254 5.805 -5.006 436 HG2 GLN 558 HG2 GLN 558 3.146 5.553 -7.393 437 HG3 GLN 558 HG3 GLN 558 2.780 7.266 -7.593 438 HE21 GLN 558 HE21 GLN 558 4.570 7.590 -8.900 439 HE22 GLN 558 HE22 GLN 558 6.179 7.617 -8.264 440 H ALA 559 HN ALA 559 1.596 4.535 -3.780 441 HA ALA 559 HA ALA 559 1.065 6.149 -1.462 442 HB1 ALA 559 HB1 ALA 559 -0.857 3.961 -2.219 443 HB2 ALA 559 HB2 ALA 559 -1.203 5.693 -2.129 444 HB3 ALA 559 HB3 ALA 559 -0.815 4.789 -0.656 445 H PHE 560 HN PHE 560 1.270 4.892 0.540 446 HA PHE 560 HA PHE 560 2.948 2.479 0.193 447 HB2 PHE 560 HB2 PHE 560 3.126 4.585 2.352 448 HB3 PHE 560 HB3 PHE 560 3.989 3.063 2.392 449 HD1 PHE 560 HD1 PHE 560 5.607 2.585 0.469 450 HD2 PHE 560 HD2 PHE 560 4.067 6.450 1.350 451 HE1 PHE 560 HE1 PHE 560 7.500 3.605 -0.724 452 HE2 PHE 560 HE2 PHE 560 5.955 7.478 0.151 453 HZ PHE 560 HZ PHE 560 7.674 6.055 -0.886 454 H LEU 561 HN LEU 561 2.607 0.760 1.545 455 HA LEU 561 HA LEU 561 0.333 0.913 3.400 456 HB2 LEU 561 HB2 LEU 561 -0.433 0.013 1.239 457 HB3 LEU 561 HB1 LEU 561 0.805 -1.220 1.312 458 HG LEU 561 HG LEU 561 -0.299 -2.134 3.352 459 HD11 LEU 561 HD11 LEU 561 -2.437 -0.133 2.634 460 HD12 LEU 561 HD12 LEU 561 -1.449 -0.134 4.096 461 HD13 LEU 561 HD13 LEU 561 -2.608 -1.434 3.813 462 HD21 LEU 561 HD21 LEU 561 -2.145 -1.972 0.974 463 HD22 LEU 561 HD22 LEU 561 -2.005 -3.283 2.146 464 HD23 LEU 561 HD23 LEU 561 -0.689 -2.968 1.017 465 H GLU 562 HN GLU 562 1.031 0.304 5.329 466 HA GLU 562 HA GLU 562 3.257 -1.602 5.515 467 HB2 GLU 562 HB2 GLU 562 2.814 0.750 6.866 468 HB3 GLU 562 HB3 GLU 562 2.279 -0.458 8.027 469 HG2 GLU 562 HG2 GLU 562 4.976 -0.402 6.687 470 HG3 GLU 562 HG3 GLU 562 4.632 0.161 8.321 471 H MET 563 HN MET 563 3.093 -3.508 6.557 472 HA MET 563 HA MET 563 0.336 -4.409 7.074 473 HB2 MET 563 HB2 MET 563 2.527 -5.978 5.701 474 HB3 MET 563 HB3 MET 563 0.858 -6.487 5.937 475 HG2 MET 563 HG2 MET 563 0.047 -4.879 4.417 476 HG3 MET 563 HG3 MET 563 1.590 -4.033 4.379 477 HE1 MET 563 HE1 MET 563 -0.003 -4.763 1.763 478 HE2 MET 563 HE2 MET 563 1.274 -5.405 0.732 479 HE3 MET 563 HE3 MET 563 1.575 -3.975 1.722 480 H ALA 564 HN ALA 564 0.320 -6.532 8.373 481 HA ALA 564 HA ALA 564 1.570 -6.025 10.809 482 HB1 ALA 564 HB1 ALA 564 -0.479 -7.328 10.587 483 HB2 ALA 564 HB2 ALA 564 0.746 -8.211 11.498 484 HB3 ALA 564 HB3 ALA 564 0.427 -8.628 9.814 485 H TYR 565 HN TYR 565 2.477 -8.262 8.225 486 HA TYR 565 HA TYR 565 5.146 -8.476 9.372 487 HB2 TYR 565 HB2 TYR 565 3.380 -10.859 8.798 488 HB3 TYR 565 HB3 TYR 565 5.120 -10.969 9.038 489 HD1 TYR 565 HD1 TYR 565 1.890 -10.674 10.634 490 HD2 TYR 565 HD2 TYR 565 6.087 -10.393 11.265 491 HE1 TYR 565 HE1 TYR 565 1.530 -10.850 13.058 492 HE2 TYR 565 HE2 TYR 565 5.740 -10.570 13.692 493 HH TYR 565 HH TYR 565 2.775 -11.526 15.054 494 H THR 566 HN THR 566 6.669 -9.511 7.902 495 HA THR 566 HA THR 566 6.524 -8.435 5.302 496 HB THR 566 HB THR 566 8.670 -8.885 6.438 497 HG1 THR 566 HG1 THR 566 8.175 -10.005 3.881 498 HG21 THR 566 HG21 THR 566 8.153 -11.056 7.436 499 HG22 THR 566 HG22 THR 566 9.608 -11.152 6.442 500 HG23 THR 566 HG23 THR 566 8.080 -11.784 5.831 501 H GLU 567 HN GLU 567 5.569 -11.505 6.605 502 HA GLU 567 HA GLU 567 5.351 -13.011 4.249 503 HB2 GLU 567 HB2 GLU 567 3.655 -14.329 5.527 504 HB3 GLU 567 HB3 GLU 567 5.175 -14.100 6.379 505 HG2 GLU 567 HG2 GLU 567 4.140 -12.248 7.640 506 HG3 GLU 567 HG3 GLU 567 2.607 -12.606 6.850 507 H ALA 568 HN ALA 568 3.330 -10.533 5.631 508 HA ALA 568 HA ALA 568 1.026 -11.107 4.027 509 HB1 ALA 568 HB1 ALA 568 0.170 -8.973 4.850 510 HB2 ALA 568 HB2 ALA 568 1.754 -8.584 5.519 511 HB3 ALA 568 HB3 ALA 568 0.828 -9.935 6.174 512 H ALA 569 HN ALA 569 3.774 -8.911 3.870 513 HA ALA 569 HA ALA 569 2.929 -7.408 1.649 514 HB1 ALA 569 HB1 ALA 569 5.266 -6.702 1.493 515 HB2 ALA 569 HB2 ALA 569 5.731 -7.984 2.610 516 HB3 ALA 569 HB3 ALA 569 4.698 -6.667 3.163 517 H GLN 570 HN GLN 570 4.969 -10.299 1.920 518 HA GLN 570 HA GLN 570 5.669 -10.381 -0.814 519 HB2 GLN 570 HB2 GLN 570 6.475 -12.634 -0.388 520 HB3 GLN 570 HB3 GLN 570 6.952 -11.564 0.920 521 HG2 GLN 570 HG2 GLN 570 5.020 -12.432 2.232 522 HG3 GLN 570 HG3 GLN 570 4.749 -13.607 0.947 523 HE21 GLN 570 HE21 GLN 570 5.129 -15.348 2.296 524 HE22 GLN 570 HE22 GLN 570 6.708 -15.747 2.878 525 H ALA 571 HN ALA 571 2.987 -11.722 1.004 526 HA ALA 571 HA ALA 571 1.978 -13.396 -1.045 527 HB1 ALA 571 HB1 ALA 571 -0.067 -13.459 0.288 528 HB2 ALA 571 HB2 ALA 571 0.529 -12.119 1.270 529 HB3 ALA 571 HB3 ALA 571 1.362 -13.674 1.299 530 H MET 572 HN MET 572 1.233 -10.065 -0.061 531 HA MET 572 HA MET 572 -0.861 -9.733 -1.954 532 HB2 MET 572 HB2 MET 572 0.778 -7.547 -0.669 533 HB3 MET 572 HB3 MET 572 -0.822 -7.391 -1.382 534 HG2 MET 572 HG2 MET 572 -1.590 -9.061 0.368 535 HG3 MET 572 HG3 MET 572 -0.037 -8.775 1.152 536 HE1 MET 572 HE1 MET 572 -0.357 -7.597 3.290 537 HE2 MET 572 HE2 MET 572 -1.978 -8.278 3.169 538 HE3 MET 572 HE3 MET 572 -1.763 -6.597 3.650 539 H VAL 573 HN VAL 573 2.590 -8.859 -1.967 540 HA VAL 573 HA VAL 573 2.565 -7.403 -4.355 541 HB VAL 573 HB VAL 573 4.799 -9.028 -3.117 542 HG11 VAL 573 HG11 VAL 573 5.255 -8.713 -5.482 543 HG12 VAL 573 HG12 VAL 573 6.320 -7.694 -4.515 544 HG13 VAL 573 HG13 VAL 573 4.928 -6.987 -5.335 545 HG21 VAL 573 HG21 VAL 573 5.611 -6.836 -2.356 546 HG22 VAL 573 HG22 VAL 573 4.011 -7.205 -1.713 547 HG23 VAL 573 HG23 VAL 573 4.182 -6.073 -3.055 548 H GLN 574 HN GLN 574 3.159 -10.876 -3.799 549 HA GLN 574 HA GLN 574 3.582 -11.556 -6.499 550 HB2 GLN 574 HB2 GLN 574 2.520 -13.207 -4.203 551 HB3 GLN 574 HB3 GLN 574 2.928 -13.872 -5.779 552 HG2 GLN 574 HG2 GLN 574 5.235 -13.222 -5.495 553 HG3 GLN 574 HG3 GLN 574 4.851 -12.442 -3.960 554 HE21 GLN 574 HE21 GLN 574 4.363 -13.715 -2.175 555 HE22 GLN 574 HE22 GLN 574 4.784 -15.382 -2.093 556 H TYR 575 HN TYR 575 0.669 -11.172 -4.602 557 HA TYR 575 HA TYR 575 -1.068 -12.479 -6.453 558 HB2 TYR 575 HB2 TYR 575 -1.735 -12.243 -4.124 559 HB3 TYR 575 HB3 TYR 575 -1.700 -10.490 -4.258 560 HD1 TYR 575 HD1 TYR 575 -3.580 -9.299 -5.025 561 HD2 TYR 575 HD2 TYR 575 -3.447 -13.525 -5.480 562 HE1 TYR 575 HE1 TYR 575 -5.946 -9.297 -5.690 563 HE2 TYR 575 HE2 TYR 575 -5.814 -13.532 -6.145 564 HH TYR 575 HH TYR 575 -7.798 -12.153 -5.896 565 H TYR 576 HN TYR 576 -0.488 -9.045 -5.719 566 HA TYR 576 HA TYR 576 -2.212 -8.192 -7.818 567 HB2 TYR 576 HB2 TYR 576 -0.309 -6.646 -6.063 568 HB3 TYR 576 HB3 TYR 576 -1.428 -5.902 -7.206 569 HD1 TYR 576 HD1 TYR 576 -3.924 -6.326 -6.888 570 HD2 TYR 576 HD2 TYR 576 -1.040 -7.283 -3.911 571 HE1 TYR 576 HE1 TYR 576 -5.704 -6.410 -5.190 572 HE2 TYR 576 HE2 TYR 576 -2.813 -7.361 -2.210 573 HH TYR 576 HH TYR 576 -5.033 -6.584 -1.815 574 H GLN 577 HN GLN 577 1.062 -9.111 -7.840 575 HA GLN 577 HA GLN 577 1.848 -7.546 -10.113 576 HB2 GLN 577 HB2 GLN 577 2.933 -10.115 -8.976 577 HB3 GLN 577 HB3 GLN 577 3.569 -9.407 -10.450 578 HG2 GLN 577 HG2 GLN 577 4.148 -7.376 -9.208 579 HG3 GLN 577 HG3 GLN 577 3.542 -8.123 -7.729 580 HE21 GLN 577 HE21 GLN 577 4.658 -9.903 -6.865 581 HE22 GLN 577 HE22 GLN 577 6.313 -10.205 -7.256 582 H GLU 578 HN GLU 578 0.516 -10.795 -9.692 583 HA GLU 578 HA GLU 578 0.291 -11.107 -12.571 584 HB2 GLU 578 HB2 GLU 578 -0.544 -13.011 -10.380 585 HB3 GLU 578 HB3 GLU 578 -0.415 -13.381 -12.096 586 HG2 GLU 578 HG2 GLU 578 2.024 -12.803 -11.923 587 HG3 GLU 578 HG3 GLU 578 1.801 -12.738 -10.178 588 H LYS 579 HN LYS 579 -1.850 -10.725 -9.762 589 HA LYS 579 HA LYS 579 -4.023 -10.140 -11.661 590 HB2 LYS 579 HB2 LYS 579 -4.295 -11.276 -8.867 591 HB3 LYS 579 HB3 LYS 579 -5.607 -10.946 -9.987 592 HG2 LYS 579 HG2 LYS 579 -4.758 -12.673 -11.493 593 HG3 LYS 579 HG3 LYS 579 -3.436 -12.998 -10.371 594 HD2 LYS 579 HD2 LYS 579 -5.102 -13.579 -8.638 595 HD3 LYS 579 HD3 LYS 579 -6.384 -13.342 -9.825 596 HE2 LYS 579 HE2 LYS 579 -5.392 -15.112 -11.216 597 HE3 LYS 579 HE3 LYS 579 -4.155 -15.366 -9.988 598 HZ1 LYS 579 HZ1 LYS 579 -7.076 -15.762 -9.635 599 HZ2 LYS 579 HZ2 LYS 579 -5.920 -15.942 -8.414 600 HZ3 LYS 579 HZ3 LYS 579 -5.910 -16.980 -9.748 601 HA PRO 580 HA PRO 580 -2.930 -6.333 -9.255 602 HB2 PRO 580 HB2 PRO 580 -3.638 -4.608 -11.250 603 HB3 PRO 580 HB1 PRO 580 -2.037 -5.341 -11.115 604 HG2 PRO 580 HG2 PRO 580 -4.345 -6.135 -12.840 605 HG3 PRO 580 HG3 PRO 580 -2.619 -6.059 -13.240 606 HD2 PRO 580 HD2 PRO 580 -3.863 -8.384 -12.674 607 HD3 PRO 580 HD3 PRO 580 -2.168 -8.089 -12.238 608 H ALA 581 HN ALA 581 -4.263 -4.589 -8.490 609 HA ALA 581 HA ALA 581 -7.077 -5.349 -8.371 610 HB1 ALA 581 HB1 ALA 581 -7.237 -3.817 -6.525 611 HB2 ALA 581 HB2 ALA 581 -5.644 -3.150 -6.887 612 HB3 ALA 581 HB3 ALA 581 -5.794 -4.807 -6.307 613 H ILE 582 HN ILE 582 -8.747 -4.086 -9.134 614 HA ILE 582 HA ILE 582 -7.883 -1.933 -10.937 615 HB ILE 582 HB ILE 582 -10.538 -3.365 -10.980 616 HG12 ILE 582 HG12 ILE 582 -8.060 -3.950 -12.625 617 HG13 ILE 582 HG13 ILE 582 -8.678 -4.967 -11.330 618 HG21 ILE 582 HG21 ILE 582 -9.100 -1.722 -13.061 619 HG22 ILE 582 HG22 ILE 582 -10.453 -1.172 -12.074 620 HG23 ILE 582 HG23 ILE 582 -10.685 -2.473 -13.242 621 HD11 ILE 582 HD11 ILE 582 -10.719 -5.351 -12.612 622 HD12 ILE 582 HD12 ILE 582 -9.281 -5.851 -13.502 623 HD13 ILE 582 HD13 ILE 582 -10.088 -4.337 -13.909 624 H ILE 583 HN ILE 583 -8.176 0.047 -10.218 625 HA ILE 583 HA ILE 583 -10.671 0.655 -8.760 626 HB ILE 583 HB ILE 583 -7.963 1.970 -8.507 627 HG12 ILE 583 HG12 ILE 583 -8.328 -0.065 -7.141 628 HG13 ILE 583 HG13 ILE 583 -8.128 1.379 -6.156 629 HG21 ILE 583 HG21 ILE 583 -9.009 3.589 -7.008 630 HG22 ILE 583 HG22 ILE 583 -10.590 2.884 -7.352 631 HG23 ILE 583 HG23 ILE 583 -9.683 3.682 -8.636 632 HD11 ILE 583 HD11 ILE 583 -10.574 1.493 -5.894 633 HD12 ILE 583 HD12 ILE 583 -9.868 0.013 -5.241 634 HD13 ILE 583 HD13 ILE 583 -10.712 -0.020 -6.791 635 H ASN 584 HN ASN 584 -12.022 1.541 -10.174 636 HA ASN 584 HA ASN 584 -12.865 2.780 -11.869 637 HB2 ASN 584 HB2 ASN 584 -10.794 4.704 -10.801 638 HB3 ASN 584 HB3 ASN 584 -11.992 5.147 -12.015 639 HD21 ASN 584 HD21 ASN 584 -11.688 6.267 -9.389 640 HD22 ASN 584 HD22 ASN 584 -13.162 5.961 -8.540 641 H GLY 585 HN GLY 585 -11.192 0.879 -12.705 642 HA2 GLY 585 HA2 GLY 585 -10.491 0.244 -14.814 643 HA3 GLY 585 HA3 GLY 585 -10.432 1.928 -15.286 644 H GLU 586 HN GLU 586 -8.644 1.855 -12.531 645 HA GLU 586 HA GLU 586 -6.193 1.553 -14.109 646 HB2 GLU 586 HB2 GLU 586 -6.667 2.844 -11.420 647 HB3 GLU 586 HB3 GLU 586 -5.099 2.734 -12.205 648 HG2 GLU 586 HG2 GLU 586 -7.509 4.200 -13.246 649 HG3 GLU 586 HG3 GLU 586 -6.077 4.924 -12.518 650 H LYS 587 HN LYS 587 -4.989 -0.173 -13.931 651 HA LYS 587 HA LYS 587 -5.303 -2.140 -11.883 652 HB2 LYS 587 HB2 LYS 587 -2.991 -1.853 -13.804 653 HB3 LYS 587 HB3 LYS 587 -3.477 -3.304 -12.947 654 HG2 LYS 587 HG2 LYS 587 -5.004 -1.925 -15.141 655 HG3 LYS 587 HG3 LYS 587 -4.113 -3.439 -15.266 656 HD2 LYS 587 HD2 LYS 587 -5.655 -4.385 -13.534 657 HD3 LYS 587 HD3 LYS 587 -6.604 -2.900 -13.661 658 HE2 LYS 587 HE2 LYS 587 -6.054 -4.908 -15.842 659 HE3 LYS 587 HE3 LYS 587 -7.602 -4.577 -15.066 660 HZ1 LYS 587 HZ1 LYS 587 -7.486 -3.511 -17.208 661 HZ2 LYS 587 HZ2 LYS 587 -6.065 -2.701 -16.783 662 HZ3 LYS 587 HZ3 LYS 587 -7.519 -2.330 -15.999 663 H LEU 588 HN LEU 588 -4.514 -2.030 -9.895 664 HA LEU 588 HA LEU 588 -2.385 -0.154 -9.271 665 HB2 LEU 588 HB2 LEU 588 -3.917 -1.960 -7.410 666 HB3 LEU 588 HB1 LEU 588 -2.952 -0.564 -6.971 667 HG LEU 588 HG LEU 588 -5.566 -0.539 -8.471 668 HD11 LEU 588 HD11 LEU 588 -4.758 0.285 -5.698 669 HD12 LEU 588 HD12 LEU 588 -5.964 -0.910 -6.179 670 HD13 LEU 588 HD13 LEU 588 -6.257 0.803 -6.465 671 HD21 LEU 588 HD21 LEU 588 -4.122 1.185 -9.352 672 HD22 LEU 588 HD22 LEU 588 -3.748 1.742 -7.721 673 HD23 LEU 588 HD23 LEU 588 -5.386 1.906 -8.357 674 H LEU 589 HN LEU 589 -0.407 -0.688 -8.548 675 HA LEU 589 HA LEU 589 0.281 -3.554 -8.586 676 HB2 LEU 589 HB2 LEU 589 1.259 -2.326 -10.487 677 HB3 LEU 589 HB1 LEU 589 2.074 -1.252 -9.364 678 HG LEU 589 HG LEU 589 3.385 -3.142 -8.504 679 HD11 LEU 589 HD11 LEU 589 1.905 -4.712 -10.605 680 HD12 LEU 589 HD12 LEU 589 1.823 -4.945 -8.857 681 HD13 LEU 589 HD13 LEU 589 3.320 -5.290 -9.725 682 HD21 LEU 589 HD21 LEU 589 4.767 -3.507 -10.482 683 HD22 LEU 589 HD22 LEU 589 4.276 -1.818 -10.349 684 HD23 LEU 589 HD23 LEU 589 3.475 -2.882 -11.506 685 H ILE 590 HN ILE 590 0.861 -4.327 -6.670 686 HA ILE 590 HA ILE 590 1.939 -2.471 -4.664 687 HB ILE 590 HB ILE 590 0.766 -5.229 -4.254 688 HG12 ILE 590 HG12 ILE 590 -0.404 -2.471 -3.852 689 HG13 ILE 590 HG13 ILE 590 -0.974 -3.715 -4.953 690 HG21 ILE 590 HG21 ILE 590 0.777 -4.628 -1.866 691 HG22 ILE 590 HG22 ILE 590 1.624 -3.133 -2.262 692 HG23 ILE 590 HG23 ILE 590 2.400 -4.689 -2.552 693 HD11 ILE 590 HD11 ILE 590 -1.555 -5.109 -2.993 694 HD12 ILE 590 HD12 ILE 590 -2.448 -3.592 -3.081 695 HD13 ILE 590 HD13 ILE 590 -1.104 -3.759 -1.945 696 H ARG 591 HN ARG 591 4.048 -2.585 -4.164 697 HA ARG 591 HA ARG 591 5.513 -5.080 -4.418 698 HB2 ARG 591 HB2 ARG 591 6.199 -2.626 -6.042 699 HB3 ARG 591 HB3 ARG 591 7.346 -3.918 -5.730 700 HG2 ARG 591 HG2 ARG 591 5.633 -5.480 -6.777 701 HG3 ARG 591 HG3 ARG 591 4.814 -4.021 -7.336 702 HD2 ARG 591 HD2 ARG 591 6.232 -4.793 -9.098 703 HD3 ARG 591 HD3 ARG 591 6.947 -3.328 -8.426 704 HE ARG 591 HE ARG 591 8.155 -5.355 -7.056 705 HH11 ARG 591 HH11 ARG 591 7.777 -4.573 -10.445 706 HH12 ARG 591 HH12 ARG 591 9.279 -5.300 -10.914 707 HH21 ARG 591 HH21 ARG 591 10.128 -6.354 -7.680 708 HH22 ARG 591 HH22 ARG 591 10.605 -6.328 -9.351 709 H MET 592 HN MET 592 7.852 -4.718 -3.644 710 HA MET 592 HA MET 592 7.643 -3.296 -1.121 711 HB2 MET 592 HB2 MET 592 9.817 -5.051 -2.271 712 HB3 MET 592 HB3 MET 592 9.923 -4.274 -0.698 713 HG2 MET 592 HG2 MET 592 7.851 -5.486 -0.039 714 HG3 MET 592 HG3 MET 592 7.943 -6.363 -1.566 715 HE1 MET 592 HE1 MET 592 9.048 -9.074 1.038 716 HE2 MET 592 HE2 MET 592 7.932 -8.680 -0.270 717 HE3 MET 592 HE3 MET 592 7.826 -7.822 1.268 718 H SER 593 HN SER 593 9.138 -1.700 -0.410 719 HA SER 593 HA SER 593 9.917 0.076 -2.562 720 HB2 SER 593 HB2 SER 593 8.745 0.982 -0.606 721 HB3 SER 593 HB3 SER 593 10.073 0.463 0.430 722 HG SER 593 HG SER 593 9.920 2.590 -1.359 723 H THR 594 HN THR 594 11.883 0.594 -3.159 724 HA THR 594 HA THR 594 14.112 -0.987 -2.194 725 HB THR 594 HB THR 594 15.288 0.174 -4.131 726 HG1 THR 594 HG1 THR 594 13.557 0.980 -5.670 727 HG21 THR 594 HG21 THR 594 12.801 -1.425 -4.753 728 HG22 THR 594 HG22 THR 594 14.368 -2.098 -4.302 729 HG23 THR 594 HG23 THR 594 14.191 -1.214 -5.818 730 H ARG 595 HN ARG 595 12.814 2.128 -1.672 731 HA ARG 595 HA ARG 595 15.470 3.272 -1.143 732 HB2 ARG 595 HB2 ARG 595 12.841 4.598 -1.764 733 HB3 ARG 595 HB3 ARG 595 14.259 5.483 -1.223 734 HG2 ARG 595 HG2 ARG 595 15.493 4.698 -3.180 735 HG3 ARG 595 HG3 ARG 595 14.067 3.807 -3.711 736 HD2 ARG 595 HD2 ARG 595 14.315 5.952 -4.882 737 HD3 ARG 595 HD3 ARG 595 12.822 5.865 -3.951 738 HE ARG 595 HE ARG 595 14.688 7.064 -2.303 739 HH11 ARG 595 HH11 ARG 595 13.248 7.730 -5.417 740 HH12 ARG 595 HH12 ARG 595 13.354 9.453 -5.245 741 HH21 ARG 595 HH21 ARG 595 14.818 9.336 -2.061 742 HH22 ARG 595 HH22 ARG 595 14.235 10.368 -3.331 743 H TYR 596 HN TYR 596 12.394 2.542 0.352 744 HA TYR 596 HA TYR 596 13.365 3.837 2.814 745 HB2 TYR 596 HB2 TYR 596 10.552 3.475 1.793 746 HB3 TYR 596 HB3 TYR 596 10.911 3.931 3.454 747 HD1 TYR 596 HD1 TYR 596 10.765 5.065 -0.004 748 HD2 TYR 596 HD2 TYR 596 11.941 6.106 3.948 749 HE1 TYR 596 HE1 TYR 596 10.892 7.430 -0.669 750 HE2 TYR 596 HE2 TYR 596 12.069 8.470 3.295 751 HH TYR 596 HH TYR 596 12.349 9.817 1.302 752 H LYS 597 HN LYS 597 13.333 2.781 4.715 753 HA LYS 597 HA LYS 597 12.631 -0.070 4.623 754 HB2 LYS 597 HB2 LYS 597 14.626 1.380 6.365 755 HB3 LYS 597 HB3 LYS 597 14.164 -0.302 6.598 756 HG2 LYS 597 HG2 LYS 597 16.172 -0.386 5.404 757 HG3 LYS 597 HG3 LYS 597 14.924 -0.669 4.192 758 HD2 LYS 597 HD2 LYS 597 15.040 1.779 3.640 759 HD3 LYS 597 HD3 LYS 597 16.445 1.884 4.701 760 HE2 LYS 597 HE2 LYS 597 16.203 0.117 2.272 761 HE3 LYS 597 HE3 LYS 597 17.080 1.644 2.342 762 HZ1 LYS 597 HZ1 LYS 597 17.705 -0.799 3.909 763 HZ2 LYS 597 HZ2 LYS 597 18.534 0.670 4.027 764 HZ3 LYS 597 HZ3 LYS 597 18.580 -0.214 2.586 765 H GLU 598 HN GLU 598 11.657 2.899 5.946 766 HA GLU 598 HA GLU 598 9.856 1.476 7.748 767 HB2 GLU 598 HB2 GLU 598 11.692 2.125 9.203 768 HB3 GLU 598 HB3 GLU 598 11.614 3.779 8.616 769 HG2 GLU 598 HG2 GLU 598 9.352 3.988 9.579 770 HG3 GLU 598 HG3 GLU 598 9.502 2.351 10.215 771 H LEU 599 HN LEU 599 7.948 2.511 8.171 772 HA LEU 599 HA LEU 599 7.454 5.050 6.753 773 HB2 LEU 599 HB2 LEU 599 5.467 2.855 7.355 774 HB3 LEU 599 HB1 LEU 599 5.115 4.359 6.528 775 HG LEU 599 HG LEU 599 6.878 2.136 5.511 776 HD11 LEU 599 HD11 LEU 599 5.163 1.880 3.809 777 HD12 LEU 599 HD12 LEU 599 4.210 3.158 4.564 778 HD13 LEU 599 HD13 LEU 599 4.489 1.641 5.423 779 HD21 LEU 599 HD21 LEU 599 7.665 4.401 4.863 780 HD22 LEU 599 HD22 LEU 599 6.086 4.689 4.128 781 HD23 LEU 599 HD23 LEU 599 7.133 3.416 3.501 782 H GLN 600 HN GLN 600 7.105 6.711 8.087 783 HA GLN 600 HA GLN 600 5.809 6.112 10.646 784 HB2 GLN 600 HB2 GLN 600 6.836 8.060 11.624 785 HB3 GLN 600 HB3 GLN 600 8.089 7.056 10.912 786 HG2 GLN 600 HG2 GLN 600 8.357 8.547 9.086 787 HG3 GLN 600 HG3 GLN 600 6.910 9.451 9.533 788 HE21 GLN 600 HE21 GLN 600 6.979 10.836 11.309 789 HE22 GLN 600 HE22 GLN 600 8.473 11.390 11.981 790 H LEU 601 HN LEU 601 3.979 7.192 11.178 791 HA LEU 601 HA LEU 601 2.588 8.391 8.961 792 HB2 LEU 601 HB2 LEU 601 1.697 7.936 11.807 793 HB3 LEU 601 HB1 LEU 601 0.661 8.426 10.482 794 HG LEU 601 HG LEU 601 2.084 5.774 10.765 795 HD11 LEU 601 HD11 LEU 601 -0.155 4.865 10.915 796 HD12 LEU 601 HD12 LEU 601 -0.846 6.480 10.758 797 HD13 LEU 601 HD13 LEU 601 0.108 6.064 12.181 798 HD21 LEU 601 HD21 LEU 601 0.347 6.817 8.527 799 HD22 LEU 601 HD22 LEU 601 0.895 5.151 8.702 800 HD23 LEU 601 HD23 LEU 601 2.068 6.440 8.432 801 H LYS 602 HN LYS 602 3.377 10.379 8.522 802 HA LYS 602 HA LYS 602 3.601 12.369 10.616 803 HB2 LYS 602 HB2 LYS 602 4.049 12.471 7.636 804 HB3 LYS 602 HB3 LYS 602 4.162 13.894 8.663 805 HG2 LYS 602 HG2 LYS 602 5.893 12.646 10.005 806 HG3 LYS 602 HG3 LYS 602 5.875 11.423 8.734 807 HD2 LYS 602 HD2 LYS 602 6.519 14.344 8.342 808 HD3 LYS 602 HD3 LYS 602 7.704 13.043 8.447 809 HE2 LYS 602 HE2 LYS 602 6.718 12.001 6.458 810 HE3 LYS 602 HE3 LYS 602 5.554 13.319 6.352 811 HZ1 LYS 602 HZ1 LYS 602 7.366 13.699 4.845 812 HZ2 LYS 602 HZ2 LYS 602 8.499 13.558 6.088 813 HZ3 LYS 602 HZ3 LYS 602 7.419 14.858 6.072 814 H LYS 603 HN LYS 603 1.199 11.121 8.656 815 HA LYS 603 HA LYS 603 -0.489 13.483 9.142 816 HB2 LYS 603 HB2 LYS 603 -0.719 11.388 6.964 817 HB3 LYS 603 HB3 LYS 603 -1.919 12.635 7.270 818 HG2 LYS 603 HG2 LYS 603 0.934 13.065 6.402 819 HG3 LYS 603 HG3 LYS 603 -0.514 13.275 5.415 820 HD2 LYS 603 HD2 LYS 603 -1.264 15.075 6.886 821 HD3 LYS 603 HD3 LYS 603 0.164 14.853 7.897 822 HE2 LYS 603 HE2 LYS 603 0.566 16.714 6.469 823 HE3 LYS 603 HE3 LYS 603 1.569 15.376 5.913 824 HZ1 LYS 603 HZ1 LYS 603 -0.022 14.945 4.151 825 HZ2 LYS 603 HZ2 LYS 603 0.490 16.558 4.080 826 HZ3 LYS 603 HZ3 LYS 603 -1.029 16.185 4.715 827 HA PRO 604 HA PRO 604 -2.886 11.170 11.978 828 HB2 PRO 604 HB2 PRO 604 -5.443 11.915 11.276 829 HB3 PRO 604 HB1 PRO 604 -4.348 12.888 12.262 830 HG2 PRO 604 HG2 PRO 604 -4.945 13.085 9.338 831 HG3 PRO 604 HG3 PRO 604 -4.738 14.383 10.531 832 HD2 PRO 604 HD2 PRO 604 -2.782 13.741 8.818 833 HD3 PRO 604 HD3 PRO 604 -2.423 14.217 10.490 834 H GLY 605 HN GLY 605 -3.934 9.253 12.205 835 HA2 GLY 605 HA2 GLY 605 -4.689 7.904 9.696 836 HA3 GLY 605 HA3 GLY 605 -3.900 7.096 11.043 837 H LYS 606 HN LYS 606 -6.713 7.399 9.518 838 HA LYS 606 HA LYS 606 -8.595 7.341 11.665 839 HB2 LYS 606 HB2 LYS 606 -10.174 6.628 9.981 840 HB3 LYS 606 HB3 LYS 606 -9.139 7.849 9.255 841 HG2 LYS 606 HG2 LYS 606 -7.754 5.827 8.421 842 HG3 LYS 606 HG3 LYS 606 -9.206 4.899 8.775 843 HD2 LYS 606 HD2 LYS 606 -9.081 7.291 6.941 844 HD3 LYS 606 HD3 LYS 606 -9.061 5.611 6.413 845 HE2 LYS 606 HE2 LYS 606 -11.282 6.189 6.147 846 HE3 LYS 606 HE3 LYS 606 -11.281 5.426 7.733 847 HZ1 LYS 606 HZ1 LYS 606 -11.258 7.599 8.757 848 HZ2 LYS 606 HZ2 LYS 606 -12.561 7.488 7.691 849 HZ3 LYS 606 HZ3 LYS 606 -11.182 8.354 7.246 850 H ASN 607 HN ASN 607 -9.592 5.425 12.597 851 HA ASN 607 HA ASN 607 -7.876 3.316 13.126 852 HB2 ASN 607 HB2 ASN 607 -9.809 3.917 14.531 853 HB3 ASN 607 HB3 ASN 607 -10.895 3.325 13.278 854 HD21 ASN 607 HD21 ASN 607 -8.573 2.443 15.711 855 HD22 ASN 607 HD22 ASN 607 -8.986 0.765 15.773 856 H VAL 608 HN VAL 608 -7.245 1.644 12.005 857 HA VAL 608 HA VAL 608 -8.328 1.227 9.373 858 HB VAL 608 HB VAL 608 -5.994 -0.039 10.809 859 HG11 VAL 608 HG11 VAL 608 -6.928 -0.412 7.973 860 HG12 VAL 608 HG12 VAL 608 -6.783 -1.649 9.218 861 HG13 VAL 608 HG13 VAL 608 -5.335 -0.885 8.563 862 HG21 VAL 608 HG21 VAL 608 -4.658 1.319 9.257 863 HG22 VAL 608 HG22 VAL 608 -5.696 2.321 10.271 864 HG23 VAL 608 HG23 VAL 608 -6.139 2.010 8.592 865 H ALA 609 HN ALA 609 -8.569 -0.346 12.476 866 HA ALA 609 HA ALA 609 -9.519 -2.854 11.616 867 HB1 ALA 609 HB1 ALA 609 -8.905 -2.423 13.939 868 HB2 ALA 609 HB2 ALA 609 -10.552 -3.043 13.824 869 HB3 ALA 609 HB3 ALA 609 -10.275 -1.324 14.105 870 H ALA 610 HN ALA 610 -11.091 0.258 12.010 871 HA ALA 610 HA ALA 610 -13.745 -0.577 11.508 872 HB1 ALA 610 HB1 ALA 610 -13.220 1.613 12.454 873 HB2 ALA 610 HB2 ALA 610 -14.176 1.777 10.982 874 HB3 ALA 610 HB3 ALA 610 -12.441 2.087 10.946 875 H ILE 611 HN ILE 611 -11.004 0.021 9.472 876 HA ILE 611 HA ILE 611 -12.419 0.150 6.998 877 HB ILE 611 HB ILE 611 -9.513 -0.541 7.533 878 HG12 ILE 611 HG12 ILE 611 -10.820 2.060 6.694 879 HG13 ILE 611 HG13 ILE 611 -10.202 1.710 8.305 880 HG21 ILE 611 HG21 ILE 611 -10.296 -1.342 5.343 881 HG22 ILE 611 HG22 ILE 611 -9.134 -0.025 5.189 882 HG23 ILE 611 HG23 ILE 611 -10.855 0.286 4.957 883 HD11 ILE 611 HD11 ILE 611 -8.612 1.943 5.766 884 HD12 ILE 611 HD12 ILE 611 -7.946 1.431 7.315 885 HD13 ILE 611 HD13 ILE 611 -8.615 3.054 7.134 886 H ILE 612 HN ILE 612 -11.019 -2.432 8.960 887 HA ILE 612 HA ILE 612 -11.382 -4.582 7.209 888 HB ILE 612 HB ILE 612 -11.827 -4.634 10.207 889 HG12 ILE 612 HG12 ILE 612 -9.278 -5.155 8.665 890 HG13 ILE 612 HG13 ILE 612 -9.614 -3.684 9.570 891 HG21 ILE 612 HG21 ILE 612 -11.126 -6.821 8.254 892 HG22 ILE 612 HG22 ILE 612 -12.656 -6.624 9.109 893 HG23 ILE 612 HG23 ILE 612 -11.187 -7.005 10.007 894 HD11 ILE 612 HD11 ILE 612 -9.743 -5.005 11.630 895 HD12 ILE 612 HD12 ILE 612 -8.179 -5.165 10.831 896 HD13 ILE 612 HD13 ILE 612 -9.368 -6.461 10.706 897 H GLN 613 HN GLN 613 -13.622 -3.047 9.487 898 HA GLN 613 HA GLN 613 -15.827 -4.763 9.000 899 HB2 GLN 613 HB2 GLN 613 -15.904 -1.852 9.828 900 HB3 GLN 613 HB3 GLN 613 -17.186 -3.034 10.045 901 HG2 GLN 613 HG2 GLN 613 -14.540 -2.888 11.453 902 HG3 GLN 613 HG3 GLN 613 -16.154 -2.745 12.143 903 HE21 GLN 613 HE21 GLN 613 -13.680 -4.879 11.082 904 HE22 GLN 613 HE22 GLN 613 -14.409 -6.344 11.606 905 H ASP 614 HN ASP 614 -14.507 -2.019 7.419 906 HA ASP 614 HA ASP 614 -16.700 -1.330 5.748 907 HB2 ASP 614 HB2 ASP 614 -14.516 -0.004 6.301 908 HB3 ASP 614 HB3 ASP 614 -13.839 -0.895 4.944 909 H ILE 615 HN ILE 615 -13.871 -3.416 5.344 910 HA ILE 615 HA ILE 615 -14.350 -4.179 2.670 911 HB ILE 615 HB ILE 615 -12.911 -5.691 4.855 912 HG12 ILE 615 HG12 ILE 615 -11.843 -3.912 2.656 913 HG13 ILE 615 HG13 ILE 615 -11.995 -3.448 4.349 914 HG21 ILE 615 HG21 ILE 615 -12.823 -6.076 1.863 915 HG22 ILE 615 HG22 ILE 615 -13.563 -7.173 3.028 916 HG23 ILE 615 HG23 ILE 615 -11.818 -6.918 3.042 917 HD11 ILE 615 HD11 ILE 615 -10.207 -5.556 3.183 918 HD12 ILE 615 HD12 ILE 615 -10.457 -5.321 4.913 919 HD13 ILE 615 HD13 ILE 615 -9.740 -4.035 3.944 920 H HIS 616 HN HIS 616 -15.388 -5.552 5.760 921 HA HIS 616 HA HIS 616 -16.653 -7.845 4.700 922 HB2 HIS 616 HB2 HIS 616 -16.998 -6.322 7.271 923 HB3 HIS 616 HB3 HIS 616 -18.044 -7.681 6.878 924 HD1 HIS 616 HD1 HIS 616 -17.087 -10.017 7.146 925 HD2 HIS 616 HD2 HIS 616 -14.272 -7.016 7.721 926 HE1 HIS 616 HE1 HIS 616 -15.062 -11.162 8.102 927 HE2 HIS 616 HE2 HIS 616 -13.309 -9.359 8.238 928 H SER 617 HN SER 617 -17.642 -4.522 4.975 929 HA SER 617 HA SER 617 -20.373 -4.971 4.285 930 HB2 SER 617 HB2 SER 617 -18.746 -2.432 4.026 931 HB3 SER 617 HB3 SER 617 -20.505 -2.556 4.047 932 HG SER 617 HG SER 617 -18.841 -3.406 6.191 933 H GLN 618 HN GLN 618 -17.396 -4.684 2.587 934 HA GLN 618 HA GLN 618 -18.654 -4.172 0.006 935 HB2 GLN 618 HB2 GLN 618 -15.748 -4.584 0.736 936 HB3 GLN 618 HB3 GLN 618 -16.342 -4.136 -0.852 937 HG2 GLN 618 HG2 GLN 618 -17.149 -2.019 0.032 938 HG3 GLN 618 HG3 GLN 618 -16.591 -2.476 1.644 939 HE21 GLN 618 HE21 GLN 618 -15.138 -0.779 1.820 940 HE22 GLN 618 HE22 GLN 618 -13.671 -0.723 0.891 941 H ARG 619 HN ARG 619 -17.627 -5.509 -1.832 942 HA ARG 619 HA ARG 619 -17.015 -8.263 -1.066 943 HB2 ARG 619 HB2 ARG 619 -19.062 -7.439 -3.126 944 HB3 ARG 619 HB3 ARG 619 -18.340 -9.038 -3.087 945 HG2 ARG 619 HG2 ARG 619 -19.205 -9.289 -0.760 946 HG3 ARG 619 HG3 ARG 619 -20.071 -7.768 -0.982 947 HD2 ARG 619 HD2 ARG 619 -21.309 -8.707 -2.838 948 HD3 ARG 619 HD3 ARG 619 -20.385 -10.203 -2.731 949 HE ARG 619 HE ARG 619 -21.955 -9.370 -0.405 950 HH11 ARG 619 HH11 ARG 619 -21.520 -11.534 -3.121 951 HH12 ARG 619 HH12 ARG 619 -22.660 -12.702 -2.537 952 HH21 ARG 619 HH21 ARG 619 -23.472 -10.908 0.363 953 HH22 ARG 619 HH22 ARG 619 -23.771 -12.349 -0.557 954 H GLU 620 HN GLU 620 -14.870 -7.912 -1.519 955 HA GLU 620 HA GLU 620 -13.891 -6.464 -3.707 956 HB2 GLU 620 HB2 GLU 620 -11.719 -7.357 -3.155 957 HB3 GLU 620 HB3 GLU 620 -12.574 -6.968 -1.674 958 HG2 GLU 620 HG2 GLU 620 -12.305 -9.733 -2.837 959 HG3 GLU 620 HG3 GLU 620 -11.306 -9.073 -1.546 960 H ARG 621 HN ARG 621 -13.034 -7.061 -5.665 961 HA ARG 621 HA ARG 621 -13.500 -9.815 -6.554 962 HB2 ARG 621 HB2 ARG 621 -15.367 -8.379 -7.336 963 HB3 ARG 621 HB3 ARG 621 -14.203 -7.335 -8.141 964 HG2 ARG 621 HG2 ARG 621 -13.505 -9.249 -9.535 965 HG3 ARG 621 HG3 ARG 621 -14.761 -10.224 -8.771 966 HD2 ARG 621 HD2 ARG 621 -15.586 -9.409 -10.874 967 HD3 ARG 621 HD3 ARG 621 -16.447 -8.595 -9.570 968 HE ARG 621 HE ARG 621 -14.161 -7.136 -10.521 969 HH11 ARG 621 HH11 ARG 621 -17.565 -7.774 -11.013 970 HH12 ARG 621 HH12 ARG 621 -17.857 -6.282 -11.850 971 HH21 ARG 621 HH21 ARG 621 -14.537 -5.171 -11.647 972 HH22 ARG 621 HH22 ARG 621 -16.135 -4.812 -12.224 Start of MODEL 5 1 HO5' ADN 1 H5T ADE 1 8.216 -0.768 -14.404 2 H5'1 ADN 1 H5' ADE 1 6.832 -0.201 -12.868 3 H5'2 ADN 1 H5'' ADE 1 8.296 0.671 -12.391 4 H4' ADN 1 H4' ADE 1 7.327 -0.485 -10.509 5 H3' ADN 1 H3' ADE 1 9.963 -0.472 -10.899 6 H2' ADN 1 H2' ADE 1 10.090 -2.482 -12.243 7 HO2' ADN 1 HO2' ADE 1 10.444 -4.238 -10.482 8 H1' ADN 1 H1' ADE 1 8.161 -3.848 -10.284 9 H8 ADN 1 H8 ADE 1 6.935 -3.447 -13.705 10 HN61 ADN 1 H61 ADE 1 8.153 -7.754 -15.596 11 HN62 ADN 1 H62 ADE 1 9.186 -9.054 -15.048 12 H2 ADN 1 H2 ADE 1 10.857 -7.796 -11.080 13 H5' U 2 H5' URI 2 7.420 1.036 -6.612 14 H5'' U 2 H5'' URI 2 7.430 0.334 -8.243 15 H4' U 2 H4' URI 2 9.411 2.440 -7.859 16 H3' U 2 H3' URI 2 7.232 3.254 -6.532 17 H2' U 2 H2' URI 2 5.678 2.727 -8.353 18 HO2' U 2 HO2' URI 2 5.645 4.992 -9.524 19 H1' U 2 H1' URI 2 7.757 4.105 -10.167 20 H3 U 2 H3 URI 2 5.540 3.663 -13.979 21 H5 U 2 H5 URI 2 4.094 0.418 -11.740 22 H6 U 2 H6 URI 2 5.521 1.125 -9.934 23 H5' C 3 H5' CYT 3 7.912 8.272 -5.562 24 H5'' C 3 H5'' CYT 3 9.669 8.454 -5.424 25 H4' C 3 H4' CYT 3 7.874 7.710 -3.428 26 H3' C 3 H3' CYT 3 10.331 8.718 -3.311 27 H2' C 3 H2' CYT 3 11.479 6.742 -4.141 28 HO2' C 3 HO2' CYT 3 12.309 7.339 -2.021 29 H1' C 3 H1' CYT 3 9.764 5.063 -2.226 30 H41 C 3 H41 CYT 3 11.958 1.052 -6.998 31 H42 C 3 H42 CYT 3 12.266 0.249 -5.476 32 H5 C 3 H5 CYT 3 11.082 3.295 -7.150 33 H6 C 3 H6 CYT 3 10.243 5.197 -5.879 34 H5' U 4 H5' URI 4 6.952 11.253 -1.877 35 H5'' U 4 H5'' URI 4 8.070 11.592 -0.544 36 H4' U 4 H4' URI 4 5.221 11.129 -0.520 37 H3' U 4 H3' URI 4 6.807 12.954 0.711 38 H2' U 4 H2' URI 4 7.784 11.426 2.314 39 HO2' U 4 HO2' URI 4 6.140 11.503 4.191 40 H1' U 4 H1' URI 4 4.985 10.158 2.527 41 H3 U 4 H3 URI 4 6.965 8.124 6.125 42 H5 U 4 H5 URI 4 8.730 6.437 2.709 43 H6 U 4 H6 URI 4 7.653 8.152 1.402 44 H5' U 5 H5' URI 5 3.040 12.848 -0.590 45 H5'' U 5 H5'' URI 5 2.289 14.366 -1.124 46 H4' U 5 H4' URI 5 0.505 12.957 -0.726 47 H3' U 5 H3' URI 5 0.581 15.214 0.805 48 H2' U 5 H2' URI 5 1.308 14.172 2.846 49 HO2' U 5 HO2' URI 5 -1.277 13.214 3.205 50 H1' U 5 H1' URI 5 -0.432 11.751 2.096 51 H3 U 5 H3 URI 5 0.618 9.550 5.800 52 H5 U 5 H5 URI 5 4.249 11.403 4.788 53 H6 U 5 H6 URI 5 3.114 12.450 2.941 54 H5' A 6 H5' ADE 6 -3.661 16.541 -1.860 55 H5'' A 6 H5'' ADE 6 -4.270 16.865 -0.226 56 H4' A 6 H4' ADE 6 -5.330 15.029 -2.334 57 H3' A 6 H3' ADE 6 -6.265 17.467 -1.723 58 HO3' A 6 H3T ADE 6 -7.313 15.179 -2.732 59 H2' A 6 H2' ADE 6 -6.739 17.078 0.618 60 HO2' A 6 HO2' ADE 6 -8.998 16.139 -0.854 61 H1' A 6 H1' ADE 6 -7.826 14.305 -0.074 62 H8 A 6 H8 ADE 6 -8.958 14.988 2.405 63 H61 A 6 H61 ADE 6 -6.333 14.058 6.381 64 H62 A 6 H62 ADE 6 -4.629 13.771 6.656 65 H2 A 6 H2 ADE 6 -2.624 13.998 2.649 66 H1 GLY 510 HT1 GLY 510 19.265 -0.305 0.055 67 H2 GLY 510 HT2 GLY 510 18.486 0.832 1.032 68 H3 GLY 510 HT3 GLY 510 17.899 0.509 -0.522 69 HA2 GLY 510 HA3 GLY 510 17.949 -1.419 1.734 70 HA3 GLY 510 HA2 GLY 510 16.530 -0.547 1.175 71 H ALA 511 HN ALA 511 18.655 -1.393 -1.330 72 HA ALA 511 HA ALA 511 16.854 -3.518 -2.207 73 HB1 ALA 511 HB1 ALA 511 17.389 -1.702 -3.779 74 HB2 ALA 511 HB2 ALA 511 17.927 -3.271 -4.373 75 HB3 ALA 511 HB3 ALA 511 19.094 -2.143 -3.690 76 H MET 512 HN MET 512 18.325 -5.151 -3.675 77 HA MET 512 HA MET 512 19.594 -7.030 -3.578 78 HB2 MET 512 HB2 MET 512 21.441 -5.335 -3.536 79 HB3 MET 512 HB3 MET 512 21.425 -5.428 -1.782 80 HG2 MET 512 HG2 MET 512 22.020 -7.788 -1.891 81 HG3 MET 512 HG3 MET 512 22.021 -7.709 -3.653 82 HE1 MET 512 HE1 MET 512 24.479 -8.856 -2.098 83 HE2 MET 512 HE2 MET 512 25.825 -8.048 -2.902 84 HE3 MET 512 HE3 MET 512 24.465 -8.651 -3.849 85 H ALA 513 HN ALA 513 18.154 -8.310 -2.522 86 HA ALA 513 HA ALA 513 17.074 -9.426 -0.880 87 HB1 ALA 513 HB1 ALA 513 18.249 -9.982 1.172 88 HB2 ALA 513 HB2 ALA 513 19.457 -8.741 0.844 89 HB3 ALA 513 HB3 ALA 513 19.334 -10.150 -0.207 90 H GLN 514 HN GLN 514 15.538 -7.726 -1.044 91 HA GLN 514 HA GLN 514 15.637 -5.259 0.188 92 HB2 GLN 514 HB2 GLN 514 13.188 -6.933 -0.395 93 HB3 GLN 514 HB3 GLN 514 13.186 -5.206 -0.061 94 HG2 GLN 514 HG2 GLN 514 14.599 -4.858 -2.058 95 HG3 GLN 514 HG3 GLN 514 14.464 -6.579 -2.414 96 HE21 GLN 514 HE21 GLN 514 12.834 -3.532 -2.346 97 HE22 GLN 514 HE22 GLN 514 11.448 -4.012 -3.252 98 H ARG 515 HN ARG 515 15.813 -4.736 2.208 99 HA ARG 515 HA ARG 515 15.405 -6.575 4.335 100 HB2 ARG 515 HB2 ARG 515 15.811 -3.584 4.516 101 HB3 ARG 515 HB3 ARG 515 16.122 -4.772 5.777 102 HG2 ARG 515 HG2 ARG 515 17.595 -4.551 3.160 103 HG3 ARG 515 HG3 ARG 515 18.187 -4.022 4.735 104 HD2 ARG 515 HD2 ARG 515 18.605 -6.144 5.443 105 HD3 ARG 515 HD3 ARG 515 17.302 -6.841 4.484 106 HE ARG 515 HE ARG 515 18.876 -6.283 2.526 107 HH11 ARG 515 HH11 ARG 515 19.903 -7.337 5.705 108 HH12 ARG 515 HH12 ARG 515 21.350 -8.094 5.120 109 HH21 ARG 515 HH21 ARG 515 20.761 -7.294 1.751 110 HH22 ARG 515 HH22 ARG 515 21.831 -8.083 2.870 111 H LYS 516 HN LYS 516 13.479 -7.148 5.026 112 HA LYS 516 HA LYS 516 11.453 -5.102 5.532 113 HB2 LYS 516 HB2 LYS 516 10.939 -7.638 3.955 114 HB3 LYS 516 HB3 LYS 516 9.692 -6.542 4.525 115 HG2 LYS 516 HG2 LYS 516 11.889 -5.750 2.627 116 HG3 LYS 516 HG3 LYS 516 10.284 -6.280 2.123 117 HD2 LYS 516 HD2 LYS 516 9.250 -4.408 3.168 118 HD3 LYS 516 HD3 LYS 516 10.747 -3.965 3.991 119 HE2 LYS 516 HE2 LYS 516 10.445 -3.984 0.997 120 HE3 LYS 516 HE3 LYS 516 10.151 -2.559 1.991 121 HZ1 LYS 516 HZ1 LYS 516 12.452 -2.782 2.820 122 HZ2 LYS 516 HZ2 LYS 516 12.371 -2.476 1.154 123 HZ3 LYS 516 HZ3 LYS 516 12.706 -4.038 1.716 124 H GLY 517 HN GLY 517 13.192 -6.466 7.285 125 HA2 GLY 517 HA2 GLY 517 11.593 -8.592 8.509 126 HA3 GLY 517 HA3 GLY 517 13.252 -8.179 8.915 127 H ALA 518 HN ALA 518 13.567 -6.061 10.013 128 HA ALA 518 HA ALA 518 11.639 -5.825 12.149 129 HB1 ALA 518 HB1 ALA 518 14.047 -5.819 12.635 130 HB2 ALA 518 HB2 ALA 518 13.260 -4.345 13.196 131 HB3 ALA 518 HB3 ALA 518 14.216 -4.325 11.715 132 H GLY 519 HN GLY 519 12.127 -4.452 9.180 133 HA2 GLY 519 HA2 GLY 519 10.129 -2.397 9.735 134 HA3 GLY 519 HA3 GLY 519 11.661 -1.866 9.049 135 H ARG 520 HN ARG 520 8.739 -2.104 8.019 136 HA ARG 520 HA ARG 520 9.578 -3.311 5.466 137 HB2 ARG 520 HB2 ARG 520 6.812 -3.456 6.667 138 HB3 ARG 520 HB3 ARG 520 7.299 -4.113 5.112 139 HG2 ARG 520 HG2 ARG 520 8.468 -5.856 6.067 140 HG3 ARG 520 HG3 ARG 520 8.659 -5.015 7.609 141 HD2 ARG 520 HD2 ARG 520 6.095 -6.132 6.483 142 HD3 ARG 520 HD3 ARG 520 7.028 -6.802 7.822 143 HE ARG 520 HE ARG 520 5.504 -4.277 7.854 144 HH11 ARG 520 HH11 ARG 520 7.185 -6.852 9.554 145 HH12 ARG 520 HH12 ARG 520 6.727 -6.281 11.123 146 HH21 ARG 520 HH21 ARG 520 4.934 -3.514 9.907 147 HH22 ARG 520 HH22 ARG 520 5.435 -4.384 11.328 148 H VAL 521 HN VAL 521 9.390 -1.998 3.797 149 HA VAL 521 HA VAL 521 7.239 -0.001 3.843 150 HB VAL 521 HB VAL 521 9.804 0.146 2.265 151 HG11 VAL 521 HG11 VAL 521 7.447 1.996 2.376 152 HG12 VAL 521 HG12 VAL 521 8.012 1.083 0.979 153 HG13 VAL 521 HG13 VAL 521 8.996 2.393 1.635 154 HG21 VAL 521 HG21 VAL 521 10.184 0.642 4.577 155 HG22 VAL 521 HG22 VAL 521 8.795 1.727 4.604 156 HG23 VAL 521 HG23 VAL 521 10.217 2.139 3.650 157 H VAL 522 HN VAL 522 5.599 -0.520 2.577 158 HA VAL 522 HA VAL 522 6.159 -2.060 0.127 159 HB VAL 522 HB VAL 522 3.592 -2.151 1.729 160 HG11 VAL 522 HG11 VAL 522 4.572 -3.813 -0.585 161 HG12 VAL 522 HG12 VAL 522 3.247 -2.646 -0.604 162 HG13 VAL 522 HG13 VAL 522 3.105 -4.131 0.343 163 HG21 VAL 522 HG21 VAL 522 4.269 -4.391 2.450 164 HG22 VAL 522 HG22 VAL 522 5.384 -3.155 3.032 165 HG23 VAL 522 HG23 VAL 522 5.831 -4.170 1.661 166 H HIS 523 HN HIS 523 5.729 -0.842 -1.684 167 HA HIS 523 HA HIS 523 4.077 1.552 -1.282 168 HB2 HIS 523 HB2 HIS 523 6.422 1.896 -2.004 169 HB3 HIS 523 HB3 HIS 523 6.117 0.916 -3.432 170 HD1 HIS 523 HD1 HIS 523 4.722 1.997 -5.335 171 HD2 HIS 523 HD2 HIS 523 5.454 4.511 -2.112 172 HE1 HIS 523 HE1 HIS 523 4.133 4.308 -6.129 173 HE2 HIS 523 HE2 HIS 523 4.831 5.821 -4.246 174 H ILE 524 HN ILE 524 2.261 1.829 -2.398 175 HA ILE 524 HA ILE 524 1.593 -0.137 -4.485 176 HB ILE 524 HB ILE 524 -0.309 1.504 -2.794 177 HG12 ILE 524 HG12 ILE 524 0.527 -1.398 -2.602 178 HG13 ILE 524 HG13 ILE 524 0.829 -0.136 -1.417 179 HG21 ILE 524 HG21 ILE 524 -0.803 -0.712 -4.782 180 HG22 ILE 524 HG22 ILE 524 -1.261 0.983 -4.950 181 HG23 ILE 524 HG23 ILE 524 -2.029 -0.021 -3.719 182 HD11 ILE 524 HD11 ILE 524 -1.871 -1.221 -2.172 183 HD12 ILE 524 HD12 ILE 524 -1.549 0.018 -0.960 184 HD13 ILE 524 HD13 ILE 524 -0.955 -1.627 -0.719 185 H CYS 525 HN CYS 525 0.924 0.656 -6.472 186 HA CYS 525 HA CYS 525 1.008 3.566 -6.767 187 HB2 CYS 525 HB2 CYS 525 2.435 3.198 -8.851 188 HB3 CYS 525 HB3 CYS 525 3.233 3.032 -7.294 189 HG CYS 525 HG CYS 525 2.487 0.064 -7.651 190 H ASN 526 HN ASN 526 0.263 4.335 -8.799 191 HA ASN 526 HA ASN 526 -0.901 4.354 -10.767 192 HB2 ASN 526 HB2 ASN 526 -1.424 1.420 -10.256 193 HB3 ASN 526 HB3 ASN 526 -2.040 2.302 -11.648 194 HD21 ASN 526 HD21 ASN 526 -0.299 0.021 -11.617 195 HD22 ASN 526 HD22 ASN 526 1.168 0.501 -12.396 196 H LEU 527 HN LEU 527 -1.764 4.907 -8.075 197 HA LEU 527 HA LEU 527 -4.594 4.278 -8.023 198 HB2 LEU 527 HB2 LEU 527 -2.816 5.936 -6.239 199 HB3 LEU 527 HB1 LEU 527 -4.547 5.811 -6.005 200 HG LEU 527 HG LEU 527 -2.690 3.430 -5.961 201 HD11 LEU 527 HD11 LEU 527 -3.790 5.058 -3.671 202 HD12 LEU 527 HD12 LEU 527 -2.098 4.940 -4.151 203 HD13 LEU 527 HD13 LEU 527 -2.935 3.523 -3.516 204 HD21 LEU 527 HD21 LEU 527 -5.026 2.935 -6.473 205 HD22 LEU 527 HD22 LEU 527 -5.532 3.817 -5.033 206 HD23 LEU 527 HD23 LEU 527 -4.583 2.339 -4.875 207 HA PRO 528 HA PRO 528 -5.362 7.827 -10.601 208 HB2 PRO 528 HB2 PRO 528 -8.191 7.500 -9.910 209 HB3 PRO 528 HB1 PRO 528 -7.397 7.337 -11.477 210 HG2 PRO 528 HG2 PRO 528 -8.379 5.217 -10.122 211 HG3 PRO 528 HG3 PRO 528 -6.956 5.105 -11.173 212 HD2 PRO 528 HD2 PRO 528 -7.102 5.269 -8.189 213 HD3 PRO 528 HD3 PRO 528 -6.025 4.302 -9.219 214 H GLU 529 HN GLU 529 -5.402 9.916 -10.189 215 HA GLU 529 HA GLU 529 -5.644 10.986 -7.592 216 HB2 GLU 529 HB2 GLU 529 -4.271 12.050 -9.271 217 HB3 GLU 529 HB3 GLU 529 -5.662 12.268 -10.322 218 HG2 GLU 529 HG2 GLU 529 -6.630 13.820 -8.680 219 HG3 GLU 529 HG3 GLU 529 -5.186 13.634 -7.684 220 H GLY 530 HN GLY 530 -7.384 11.926 -6.536 221 HA2 GLY 530 HA2 GLY 530 -9.588 12.641 -6.275 222 HA3 GLY 530 HA3 GLY 530 -9.868 12.316 -7.981 223 H SER 531 HN SER 531 -8.310 9.730 -6.528 224 HA SER 531 HA SER 531 -10.734 8.329 -5.804 225 HB2 SER 531 HB2 SER 531 -9.018 7.439 -8.134 226 HB3 SER 531 HB3 SER 531 -10.371 6.532 -7.451 227 HG SER 531 HG SER 531 -11.399 8.834 -7.927 228 H CYS 532 HN CYS 532 -7.822 9.160 -5.006 229 HA CYS 532 HA CYS 532 -6.754 6.573 -4.191 230 HB2 CYS 532 HB2 CYS 532 -5.716 9.370 -3.653 231 HB3 CYS 532 HB3 CYS 532 -4.857 7.871 -3.316 232 HG CYS 532 HG CYS 532 -5.791 8.282 -6.520 233 H THR 533 HN THR 533 -8.355 5.905 -2.676 234 HA THR 533 HA THR 533 -8.755 7.725 -0.401 235 HB THR 533 HB THR 533 -10.697 6.441 0.185 236 HG1 THR 533 HG1 THR 533 -10.844 4.654 -1.831 237 HG21 THR 533 HG21 THR 533 -12.083 6.618 -1.836 238 HG22 THR 533 HG22 THR 533 -10.627 6.797 -2.815 239 HG23 THR 533 HG23 THR 533 -11.054 8.035 -1.633 240 H GLU 534 HN GLU 534 -8.451 6.939 1.723 241 HA GLU 534 HA GLU 534 -6.312 5.125 2.066 242 HB2 GLU 534 HB2 GLU 534 -8.286 6.071 4.148 243 HB3 GLU 534 HB3 GLU 534 -6.693 5.392 4.444 244 HG2 GLU 534 HG2 GLU 534 -5.667 7.327 3.270 245 HG3 GLU 534 HG3 GLU 534 -7.288 8.005 3.068 246 H ASN 535 HN ASN 535 -9.743 4.876 2.072 247 HA ASN 535 HA ASN 535 -9.994 2.409 3.395 248 HB2 ASN 535 HB2 ASN 535 -11.785 3.943 1.541 249 HB3 ASN 535 HB3 ASN 535 -12.210 2.308 2.034 250 HD21 ASN 535 HD21 ASN 535 -14.020 2.999 3.131 251 HD22 ASN 535 HD22 ASN 535 -13.928 3.837 4.640 252 H ASP 536 HN ASP 536 -9.690 3.162 -0.114 253 HA ASP 536 HA ASP 536 -10.252 0.451 -0.862 254 HB2 ASP 536 HB2 ASP 536 -9.122 2.782 -2.413 255 HB3 ASP 536 HB3 ASP 536 -9.368 1.193 -3.127 256 H VAL 537 HN VAL 537 -7.369 2.376 -0.588 257 HA VAL 537 HA VAL 537 -5.499 0.516 -1.582 258 HB VAL 537 HB VAL 537 -4.993 2.641 0.526 259 HG11 VAL 537 HG11 VAL 537 -3.147 1.014 0.194 260 HG12 VAL 537 HG12 VAL 537 -2.721 2.663 -0.275 261 HG13 VAL 537 HG13 VAL 537 -3.108 1.466 -1.512 262 HG21 VAL 537 HG21 VAL 537 -4.992 2.824 -2.482 263 HG22 VAL 537 HG22 VAL 537 -4.399 4.077 -1.394 264 HG23 VAL 537 HG23 VAL 537 -6.104 3.626 -1.372 265 H ILE 538 HN ILE 538 -6.500 1.231 1.735 266 HA ILE 538 HA ILE 538 -5.053 -0.894 2.917 267 HB ILE 538 HB ILE 538 -7.394 0.707 3.934 268 HG12 ILE 538 HG12 ILE 538 -4.439 0.779 4.563 269 HG13 ILE 538 HG13 ILE 538 -5.317 1.964 3.601 270 HG21 ILE 538 HG21 ILE 538 -5.732 -1.405 5.278 271 HG22 ILE 538 HG22 ILE 538 -7.484 -1.360 5.092 272 HG23 ILE 538 HG23 ILE 538 -6.681 -0.214 6.164 273 HD11 ILE 538 HD11 ILE 538 -5.863 1.364 6.496 274 HD12 ILE 538 HD12 ILE 538 -6.601 2.635 5.516 275 HD13 ILE 538 HD13 ILE 538 -4.881 2.704 5.905 276 H ASN 539 HN ASN 539 -8.319 -0.653 1.571 277 HA ASN 539 HA ASN 539 -9.332 -3.078 2.484 278 HB2 ASN 539 HB2 ASN 539 -9.857 -1.630 -0.112 279 HB3 ASN 539 HB3 ASN 539 -10.666 -3.131 0.303 280 HD21 ASN 539 HD21 ASN 539 -10.688 -2.230 3.193 281 HD22 ASN 539 HD22 ASN 539 -11.996 -1.121 3.271 282 H LEU 540 HN LEU 540 -6.985 -2.435 -0.022 283 HA LEU 540 HA LEU 540 -6.969 -5.128 -1.006 284 HB2 LEU 540 HB2 LEU 540 -4.839 -2.990 -1.095 285 HB3 LEU 540 HB1 LEU 540 -4.805 -4.487 -2.003 286 HG LEU 540 HG LEU 540 -6.769 -2.226 -2.353 287 HD11 LEU 540 HD11 LEU 540 -4.529 -3.261 -4.080 288 HD12 LEU 540 HD12 LEU 540 -4.578 -1.718 -3.227 289 HD13 LEU 540 HD13 LEU 540 -5.696 -2.028 -4.556 290 HD21 LEU 540 HD21 LEU 540 -7.615 -3.514 -4.260 291 HD22 LEU 540 HD22 LEU 540 -7.868 -4.361 -2.735 292 HD23 LEU 540 HD23 LEU 540 -6.563 -4.858 -3.813 293 H GLY 541 HN GLY 541 -5.042 -3.256 1.313 294 HA2 GLY 541 HA2 GLY 541 -3.220 -5.255 1.992 295 HA3 GLY 541 HA3 GLY 541 -3.655 -3.886 3.005 296 H LEU 542 HN LEU 542 -6.228 -4.435 3.719 297 HA LEU 542 HA LEU 542 -5.636 -5.896 5.997 298 HB2 LEU 542 HB2 LEU 542 -8.205 -4.925 4.848 299 HB3 LEU 542 HB1 LEU 542 -8.190 -5.870 6.323 300 HG LEU 542 HG LEU 542 -6.624 -3.320 5.970 301 HD11 LEU 542 HD11 LEU 542 -8.376 -2.263 7.315 302 HD12 LEU 542 HD12 LEU 542 -9.318 -3.752 7.246 303 HD13 LEU 542 HD13 LEU 542 -8.998 -2.845 5.770 304 HD21 LEU 542 HD21 LEU 542 -5.789 -4.867 7.674 305 HD22 LEU 542 HD22 LEU 542 -7.386 -4.914 8.413 306 HD23 LEU 542 HD23 LEU 542 -6.465 -3.410 8.398 307 HA PRO 543 HA PRO 543 -8.460 -9.534 4.387 308 HB2 PRO 543 HB2 PRO 543 -7.781 -9.378 1.487 309 HB3 PRO 543 HB1 PRO 543 -9.304 -9.832 2.266 310 HG2 PRO 543 HG2 PRO 543 -9.105 -7.458 1.151 311 HG3 PRO 543 HG3 PRO 543 -9.853 -7.599 2.761 312 HD2 PRO 543 HD2 PRO 543 -7.043 -6.770 2.053 313 HD3 PRO 543 HD3 PRO 543 -8.193 -5.990 3.160 314 H PHE 544 HN PHE 544 -5.310 -8.741 2.953 315 HA PHE 544 HA PHE 544 -4.537 -11.558 3.126 316 HB2 PHE 544 HB2 PHE 544 -3.069 -9.164 2.017 317 HB3 PHE 544 HB3 PHE 544 -2.434 -10.801 2.032 318 HD1 PHE 544 HD1 PHE 544 -3.664 -12.572 0.722 319 HD2 PHE 544 HD2 PHE 544 -4.448 -8.412 0.309 320 HE1 PHE 544 HE1 PHE 544 -4.705 -12.991 -1.470 321 HE2 PHE 544 HE2 PHE 544 -5.497 -8.821 -1.875 322 HZ PHE 544 HZ PHE 544 -5.621 -11.113 -2.771 323 H GLY 545 HN GLY 545 -4.374 -8.705 4.955 324 HA2 GLY 545 HA2 GLY 545 -3.066 -9.865 7.129 325 HA3 GLY 545 HA3 GLY 545 -1.852 -9.003 6.195 326 H LYS 546 HN LYS 546 -2.776 -8.430 8.887 327 HA LYS 546 HA LYS 546 -4.627 -6.299 8.879 328 HB2 LYS 546 HB2 LYS 546 -4.065 -7.649 10.885 329 HB3 LYS 546 HB3 LYS 546 -2.478 -6.893 10.917 330 HG2 LYS 546 HG2 LYS 546 -3.599 -4.688 11.178 331 HG3 LYS 546 HG3 LYS 546 -5.138 -5.540 11.312 332 HD2 LYS 546 HD2 LYS 546 -4.332 -5.038 13.520 333 HD3 LYS 546 HD3 LYS 546 -4.221 -6.780 13.259 334 HE2 LYS 546 HE2 LYS 546 -1.849 -6.586 12.795 335 HE3 LYS 546 HE3 LYS 546 -1.939 -4.833 12.946 336 HZ1 LYS 546 HZ1 LYS 546 -2.463 -6.789 15.116 337 HZ2 LYS 546 HZ2 LYS 546 -2.554 -5.109 15.267 338 HZ3 LYS 546 HZ3 LYS 546 -1.069 -5.848 14.950 339 H VAL 547 HN VAL 547 -4.395 -4.233 8.422 340 HA VAL 547 HA VAL 547 -1.811 -3.207 7.609 341 HB VAL 547 HB VAL 547 -4.593 -2.029 7.505 342 HG11 VAL 547 HG11 VAL 547 -2.083 -0.885 6.284 343 HG12 VAL 547 HG12 VAL 547 -2.844 -0.279 7.756 344 HG13 VAL 547 HG13 VAL 547 -3.711 -0.204 6.223 345 HG21 VAL 547 HG21 VAL 547 -4.178 -2.292 5.028 346 HG22 VAL 547 HG22 VAL 547 -4.399 -3.780 5.944 347 HG23 VAL 547 HG23 VAL 547 -2.780 -3.275 5.461 348 H THR 548 HN THR 548 -0.517 -2.360 9.080 349 HA THR 548 HA THR 548 -1.634 -1.237 11.520 350 HB THR 548 HB THR 548 0.805 -1.118 12.200 351 HG1 THR 548 HG1 THR 548 1.833 -2.882 10.571 352 HG21 THR 548 HG21 THR 548 -0.314 -3.808 11.400 353 HG22 THR 548 HG22 THR 548 -0.630 -2.956 12.912 354 HG23 THR 548 HG23 THR 548 0.991 -3.548 12.555 355 H ASN 549 HN ASN 549 0.183 -0.268 8.693 356 HA ASN 549 HA ASN 549 -0.373 2.529 9.346 357 HB2 ASN 549 HB2 ASN 549 2.390 1.525 8.600 358 HB3 ASN 549 HB3 ASN 549 1.932 3.216 8.737 359 HD21 ASN 549 HD21 ASN 549 1.588 4.098 10.779 360 HD22 ASN 549 HD22 ASN 549 2.138 3.322 12.219 361 H TYR 550 HN TYR 550 -0.223 3.939 7.507 362 HA TYR 550 HA TYR 550 0.138 2.845 4.876 363 HB2 TYR 550 HB2 TYR 550 -2.173 3.245 4.136 364 HB3 TYR 550 HB3 TYR 550 -2.128 2.035 5.417 365 HD1 TYR 550 HD1 TYR 550 -3.719 4.911 4.279 366 HD2 TYR 550 HD2 TYR 550 -2.441 3.044 7.873 367 HE1 TYR 550 HE1 TYR 550 -5.312 6.267 5.560 368 HE2 TYR 550 HE2 TYR 550 -4.044 4.398 9.157 369 HH TYR 550 HH TYR 550 -6.391 6.455 7.525 370 H ILE 551 HN ILE 551 0.045 4.514 3.237 371 HA ILE 551 HA ILE 551 -0.071 7.276 4.192 372 HB ILE 551 HB ILE 551 2.297 6.119 2.714 373 HG12 ILE 551 HG12 ILE 551 2.196 7.201 5.538 374 HG13 ILE 551 HG13 ILE 551 2.240 5.490 5.128 375 HG21 ILE 551 HG21 ILE 551 1.825 8.386 2.036 376 HG22 ILE 551 HG22 ILE 551 3.305 8.333 2.995 377 HG23 ILE 551 HG23 ILE 551 1.806 8.907 3.722 378 HD11 ILE 551 HD11 ILE 551 4.432 5.795 4.102 379 HD12 ILE 551 HD12 ILE 551 4.426 6.298 5.793 380 HD13 ILE 551 HD13 ILE 551 4.384 7.509 4.512 381 H LEU 552 HN LEU 552 -1.134 8.461 2.611 382 HA LEU 552 HA LEU 552 -1.290 7.171 -0.022 383 HB2 LEU 552 HB2 LEU 552 -3.214 9.019 1.360 384 HB3 LEU 552 HB1 LEU 552 -3.307 8.644 -0.349 385 HG LEU 552 HG LEU 552 -3.751 6.815 1.987 386 HD11 LEU 552 HD11 LEU 552 -5.913 6.535 0.892 387 HD12 LEU 552 HD12 LEU 552 -5.416 7.659 -0.368 388 HD13 LEU 552 HD13 LEU 552 -5.595 8.221 1.294 389 HD21 LEU 552 HD21 LEU 552 -4.072 5.011 0.361 390 HD22 LEU 552 HD22 LEU 552 -2.405 5.586 0.372 391 HD23 LEU 552 HD23 LEU 552 -3.496 6.071 -0.927 392 H MET 553 HN MET 553 -0.383 8.213 -1.693 393 HA MET 553 HA MET 553 0.506 10.987 -1.166 394 HB2 MET 553 HB2 MET 553 1.635 9.121 -3.262 395 HB3 MET 553 HB3 MET 553 2.321 10.635 -2.693 396 HG2 MET 553 HG2 MET 553 3.059 9.693 -0.700 397 HG3 MET 553 HG3 MET 553 1.975 8.309 -0.845 398 HE1 MET 553 HE1 MET 553 4.335 9.923 -3.568 399 HE2 MET 553 HE2 MET 553 5.774 8.918 -3.400 400 HE3 MET 553 HE3 MET 553 5.289 9.991 -2.087 401 H LYS 554 HN LYS 554 -1.779 11.401 -1.776 402 HA LYS 554 HA LYS 554 -2.899 11.172 -4.186 403 HB2 LYS 554 HB2 LYS 554 -2.974 13.854 -2.862 404 HB3 LYS 554 HB3 LYS 554 -4.271 12.966 -3.648 405 HG2 LYS 554 HG2 LYS 554 -3.020 12.268 -0.998 406 HG3 LYS 554 HG3 LYS 554 -4.569 13.074 -1.230 407 HD2 LYS 554 HD2 LYS 554 -5.342 11.056 -2.484 408 HD3 LYS 554 HD3 LYS 554 -3.831 10.253 -2.025 409 HE2 LYS 554 HE2 LYS 554 -5.721 9.701 -0.526 410 HE3 LYS 554 HE3 LYS 554 -4.370 10.463 0.308 411 HZ1 LYS 554 HZ1 LYS 554 -5.571 12.559 0.266 412 HZ2 LYS 554 HZ2 LYS 554 -6.490 11.362 1.032 413 HZ3 LYS 554 HZ3 LYS 554 -6.862 11.831 -0.548 414 H SER 555 HN SER 555 -0.100 13.143 -3.517 415 HA SER 555 HA SER 555 -0.493 14.990 -5.637 416 HB2 SER 555 HB2 SER 555 1.865 15.622 -5.135 417 HB3 SER 555 HB3 SER 555 0.828 15.609 -3.709 418 HG SER 555 HG SER 555 2.893 14.564 -3.418 419 H THR 556 HN THR 556 1.379 12.001 -5.272 420 HA THR 556 HA THR 556 2.255 12.250 -8.058 421 HB THR 556 HB THR 556 3.844 10.412 -7.470 422 HG1 THR 556 HG1 THR 556 3.936 9.670 -5.418 423 HG21 THR 556 HG21 THR 556 5.327 11.803 -6.106 424 HG22 THR 556 HG22 THR 556 3.974 12.862 -5.709 425 HG23 THR 556 HG23 THR 556 4.549 12.753 -7.373 426 H ASN 557 HN ASN 557 -0.337 11.055 -6.640 427 HA ASN 557 HA ASN 557 -1.845 9.396 -7.006 428 HB2 ASN 557 HB2 ASN 557 -0.322 9.117 -9.612 429 HB3 ASN 557 HB3 ASN 557 -1.857 8.332 -9.267 430 HD21 ASN 557 HD21 ASN 557 -2.920 9.354 -10.933 431 HD22 ASN 557 HD22 ASN 557 -3.303 11.041 -10.905 432 H GLN 558 HN GLN 558 0.297 8.791 -5.435 433 HA GLN 558 HA GLN 558 0.757 5.926 -5.949 434 HB2 GLN 558 HB2 GLN 558 2.785 7.973 -5.027 435 HB3 GLN 558 HB3 GLN 558 3.051 6.236 -4.992 436 HG2 GLN 558 HG2 GLN 558 3.095 6.081 -7.328 437 HG3 GLN 558 HG3 GLN 558 2.371 7.678 -7.530 438 HE21 GLN 558 HE21 GLN 558 4.064 8.346 -8.862 439 HE22 GLN 558 HE22 GLN 558 5.629 8.722 -8.228 440 H ALA 559 HN ALA 559 1.424 4.776 -3.817 441 HA ALA 559 HA ALA 559 0.911 6.264 -1.407 442 HB1 ALA 559 HB1 ALA 559 -1.351 5.805 -2.046 443 HB2 ALA 559 HB2 ALA 559 -0.922 4.787 -0.661 444 HB3 ALA 559 HB3 ALA 559 -0.973 4.095 -2.290 445 H PHE 560 HN PHE 560 1.201 4.948 0.519 446 HA PHE 560 HA PHE 560 2.816 2.509 0.060 447 HB2 PHE 560 HB2 PHE 560 3.106 4.567 2.251 448 HB3 PHE 560 HB3 PHE 560 3.899 3.007 2.277 449 HD1 PHE 560 HD1 PHE 560 5.824 2.579 0.949 450 HD2 PHE 560 HD2 PHE 560 3.768 6.282 0.633 451 HE1 PHE 560 HE1 PHE 560 7.698 3.500 -0.356 452 HE2 PHE 560 HE2 PHE 560 5.639 7.218 -0.661 453 HZ PHE 560 HZ PHE 560 7.691 5.878 -0.994 454 H LEU 561 HN LEU 561 2.577 0.800 1.506 455 HA LEU 561 HA LEU 561 0.291 0.920 3.350 456 HB2 LEU 561 HB2 LEU 561 -0.505 0.015 1.211 457 HB3 LEU 561 HB1 LEU 561 0.766 -1.189 1.236 458 HG LEU 561 HG LEU 561 -0.271 -2.161 3.289 459 HD11 LEU 561 HD11 LEU 561 -1.466 -0.208 4.088 460 HD12 LEU 561 HD12 LEU 561 -2.592 -1.535 3.801 461 HD13 LEU 561 HD13 LEU 561 -2.478 -0.211 2.643 462 HD21 LEU 561 HD21 LEU 561 -1.984 -3.334 2.105 463 HD22 LEU 561 HD22 LEU 561 -0.682 -2.996 0.963 464 HD23 LEU 561 HD23 LEU 561 -2.156 -2.023 0.939 465 H GLU 562 HN GLU 562 1.029 0.332 5.268 466 HA GLU 562 HA GLU 562 3.246 -1.584 5.429 467 HB2 GLU 562 HB2 GLU 562 2.821 0.808 6.756 468 HB3 GLU 562 HB3 GLU 562 2.409 -0.409 7.956 469 HG2 GLU 562 HG2 GLU 562 4.994 -0.332 6.417 470 HG3 GLU 562 HG3 GLU 562 4.769 0.318 8.038 471 H MET 563 HN MET 563 3.111 -3.447 6.549 472 HA MET 563 HA MET 563 0.366 -4.314 7.171 473 HB2 MET 563 HB2 MET 563 2.501 -5.950 5.790 474 HB3 MET 563 HB3 MET 563 0.821 -6.406 6.051 475 HG2 MET 563 HG2 MET 563 0.033 -4.855 4.481 476 HG3 MET 563 HG3 MET 563 1.558 -3.976 4.464 477 HE1 MET 563 HE1 MET 563 1.403 -5.330 0.814 478 HE2 MET 563 HE2 MET 563 1.647 -3.909 1.830 479 HE3 MET 563 HE3 MET 563 0.075 -4.709 1.793 480 H ALA 564 HN ALA 564 0.385 -6.389 8.540 481 HA ALA 564 HA ALA 564 1.739 -5.800 10.912 482 HB1 ALA 564 HB1 ALA 564 0.914 -7.939 11.736 483 HB2 ALA 564 HB2 ALA 564 0.505 -8.421 10.091 484 HB3 ALA 564 HB3 ALA 564 -0.339 -7.072 10.849 485 H TYR 565 HN TYR 565 2.487 -8.209 8.414 486 HA TYR 565 HA TYR 565 5.219 -8.324 9.435 487 HB2 TYR 565 HB2 TYR 565 3.465 -10.746 9.038 488 HB3 TYR 565 HB3 TYR 565 5.216 -10.826 9.189 489 HD1 TYR 565 HD1 TYR 565 2.149 -10.908 10.934 490 HD2 TYR 565 HD2 TYR 565 6.215 -9.729 11.335 491 HE1 TYR 565 HE1 TYR 565 1.921 -10.973 13.380 492 HE2 TYR 565 HE2 TYR 565 6.002 -9.795 13.781 493 HH TYR 565 HH TYR 565 3.347 -11.227 15.357 494 H THR 566 HN THR 566 6.705 -9.393 7.968 495 HA THR 566 HA THR 566 6.529 -8.405 5.353 496 HB THR 566 HB THR 566 8.686 -8.896 6.423 497 HG1 THR 566 HG1 THR 566 8.080 -10.140 3.944 498 HG21 THR 566 HG21 THR 566 9.532 -11.193 6.537 499 HG22 THR 566 HG22 THR 566 7.972 -11.798 5.980 500 HG23 THR 566 HG23 THR 566 8.098 -10.994 7.544 501 H GLU 567 HN GLU 567 5.480 -11.426 6.705 502 HA GLU 567 HA GLU 567 5.308 -12.991 4.390 503 HB2 GLU 567 HB2 GLU 567 3.592 -14.278 5.665 504 HB3 GLU 567 HB3 GLU 567 5.085 -14.006 6.553 505 HG2 GLU 567 HG2 GLU 567 4.020 -12.159 7.754 506 HG3 GLU 567 HG3 GLU 567 2.516 -12.476 6.890 507 H ALA 568 HN ALA 568 3.242 -10.481 5.651 508 HA ALA 568 HA ALA 568 1.007 -11.074 3.952 509 HB1 ALA 568 HB1 ALA 568 0.140 -8.900 4.699 510 HB2 ALA 568 HB2 ALA 568 1.675 -8.574 5.504 511 HB3 ALA 568 HB3 ALA 568 0.655 -9.903 6.051 512 H ALA 569 HN ALA 569 3.756 -8.859 3.891 513 HA ALA 569 HA ALA 569 2.939 -7.324 1.686 514 HB1 ALA 569 HB1 ALA 569 5.730 -7.884 2.682 515 HB2 ALA 569 HB2 ALA 569 4.666 -6.599 3.255 516 HB3 ALA 569 HB3 ALA 569 5.259 -6.577 1.594 517 H GLN 570 HN GLN 570 5.010 -10.192 1.936 518 HA GLN 570 HA GLN 570 5.668 -10.238 -0.819 519 HB2 GLN 570 HB2 GLN 570 6.445 -12.565 -0.370 520 HB3 GLN 570 HB3 GLN 570 7.118 -11.364 0.718 521 HG2 GLN 570 HG2 GLN 570 5.374 -12.032 2.385 522 HG3 GLN 570 HG3 GLN 570 4.948 -13.358 1.303 523 HE21 GLN 570 HE21 GLN 570 6.383 -15.057 1.027 524 HE22 GLN 570 HE22 GLN 570 7.706 -15.332 2.105 525 H ALA 571 HN ALA 571 3.093 -11.683 1.074 526 HA ALA 571 HA ALA 571 2.049 -13.356 -0.939 527 HB1 ALA 571 HB1 ALA 571 0.599 -12.042 1.353 528 HB2 ALA 571 HB2 ALA 571 1.466 -13.573 1.434 529 HB3 ALA 571 HB3 ALA 571 0.032 -13.424 0.418 530 H MET 572 HN MET 572 1.302 -10.009 0.004 531 HA MET 572 HA MET 572 -0.813 -9.717 -1.876 532 HB2 MET 572 HB2 MET 572 0.816 -7.497 -0.636 533 HB3 MET 572 HB3 MET 572 -0.784 -7.365 -1.349 534 HG2 MET 572 HG2 MET 572 -1.548 -8.990 0.438 535 HG3 MET 572 HG3 MET 572 0.008 -8.692 1.212 536 HE1 MET 572 HE1 MET 572 -1.945 -8.202 3.177 537 HE2 MET 572 HE2 MET 572 -1.833 -6.510 3.655 538 HE3 MET 572 HE3 MET 572 -0.365 -7.444 3.367 539 H VAL 573 HN VAL 573 2.625 -8.768 -1.928 540 HA VAL 573 HA VAL 573 2.530 -7.372 -4.353 541 HB VAL 573 HB VAL 573 4.836 -8.868 -3.085 542 HG11 VAL 573 HG11 VAL 573 6.294 -7.538 -4.543 543 HG12 VAL 573 HG12 VAL 573 4.875 -6.881 -5.357 544 HG13 VAL 573 HG13 VAL 573 5.241 -8.602 -5.476 545 HG21 VAL 573 HG21 VAL 573 3.947 -7.012 -1.756 546 HG22 VAL 573 HG22 VAL 573 4.144 -5.930 -3.135 547 HG23 VAL 573 HG23 VAL 573 5.560 -6.650 -2.370 548 H GLN 574 HN GLN 574 3.265 -10.806 -3.706 549 HA GLN 574 HA GLN 574 3.678 -11.545 -6.388 550 HB2 GLN 574 HB2 GLN 574 2.697 -13.160 -4.032 551 HB3 GLN 574 HB3 GLN 574 3.075 -13.862 -5.598 552 HG2 GLN 574 HG2 GLN 574 5.011 -12.370 -3.844 553 HG3 GLN 574 HG3 GLN 574 4.897 -14.122 -3.988 554 HE21 GLN 574 HE21 GLN 574 5.573 -15.114 -5.893 555 HE22 GLN 574 HE22 GLN 574 6.598 -14.315 -7.022 556 H TYR 575 HN TYR 575 0.770 -11.249 -4.464 557 HA TYR 575 HA TYR 575 -0.935 -12.620 -6.300 558 HB2 TYR 575 HB2 TYR 575 -1.513 -12.365 -3.907 559 HB3 TYR 575 HB3 TYR 575 -1.708 -10.633 -4.149 560 HD1 TYR 575 HD1 TYR 575 -3.748 -9.749 -4.948 561 HD2 TYR 575 HD2 TYR 575 -3.049 -13.942 -5.146 562 HE1 TYR 575 HE1 TYR 575 -6.101 -10.108 -5.572 563 HE2 TYR 575 HE2 TYR 575 -5.398 -14.311 -5.769 564 HH TYR 575 HH TYR 575 -7.549 -13.205 -5.571 565 H TYR 576 HN TYR 576 -0.482 -9.167 -5.560 566 HA TYR 576 HA TYR 576 -2.232 -8.358 -7.649 567 HB2 TYR 576 HB2 TYR 576 -0.345 -6.812 -5.887 568 HB3 TYR 576 HB3 TYR 576 -1.380 -6.047 -7.094 569 HD1 TYR 576 HD1 TYR 576 -3.889 -6.405 -6.916 570 HD2 TYR 576 HD2 TYR 576 -1.208 -7.380 -3.764 571 HE1 TYR 576 HE1 TYR 576 -5.766 -6.411 -5.329 572 HE2 TYR 576 HE2 TYR 576 -3.077 -7.380 -2.167 573 HH TYR 576 HH TYR 576 -6.361 -7.284 -3.183 574 H GLN 577 HN GLN 577 1.044 -9.244 -7.697 575 HA GLN 577 HA GLN 577 1.722 -7.783 -10.076 576 HB2 GLN 577 HB2 GLN 577 2.928 -10.241 -8.823 577 HB3 GLN 577 HB3 GLN 577 3.479 -9.621 -10.373 578 HG2 GLN 577 HG2 GLN 577 4.009 -7.474 -9.291 579 HG3 GLN 577 HG3 GLN 577 3.525 -8.163 -7.741 580 HE21 GLN 577 HE21 GLN 577 4.791 -9.792 -6.824 581 HE22 GLN 577 HE22 GLN 577 6.441 -10.024 -7.284 582 H GLU 578 HN GLU 578 0.413 -10.986 -9.393 583 HA GLU 578 HA GLU 578 0.150 -11.582 -12.212 584 HB2 GLU 578 HB2 GLU 578 -0.831 -13.110 -9.798 585 HB3 GLU 578 HB3 GLU 578 -0.807 -13.704 -11.452 586 HG2 GLU 578 HG2 GLU 578 1.656 -13.477 -11.449 587 HG3 GLU 578 HG3 GLU 578 1.571 -13.011 -9.750 588 H LYS 579 HN LYS 579 -1.969 -10.739 -9.501 589 HA LYS 579 HA LYS 579 -4.092 -10.147 -11.450 590 HB2 LYS 579 HB2 LYS 579 -4.374 -11.373 -8.698 591 HB3 LYS 579 HB3 LYS 579 -5.722 -10.783 -9.662 592 HG2 LYS 579 HG2 LYS 579 -5.266 -12.439 -11.367 593 HG3 LYS 579 HG3 LYS 579 -3.847 -12.994 -10.474 594 HD2 LYS 579 HD2 LYS 579 -5.240 -13.717 -8.635 595 HD3 LYS 579 HD3 LYS 579 -6.675 -13.062 -9.425 596 HE2 LYS 579 HE2 LYS 579 -4.940 -15.265 -10.532 597 HE3 LYS 579 HE3 LYS 579 -6.459 -15.511 -9.675 598 HZ1 LYS 579 HZ1 LYS 579 -7.591 -14.254 -11.403 599 HZ2 LYS 579 HZ2 LYS 579 -6.780 -15.584 -12.061 600 HZ3 LYS 579 HZ3 LYS 579 -6.133 -14.030 -12.229 601 HA PRO 580 HA PRO 580 -2.951 -6.320 -9.125 602 HB2 PRO 580 HB2 PRO 580 -3.623 -4.642 -11.165 603 HB3 PRO 580 HB1 PRO 580 -2.041 -5.416 -11.029 604 HG2 PRO 580 HG2 PRO 580 -4.400 -6.214 -12.685 605 HG3 PRO 580 HG3 PRO 580 -2.684 -6.164 -13.130 606 HD2 PRO 580 HD2 PRO 580 -3.918 -8.463 -12.479 607 HD3 PRO 580 HD3 PRO 580 -2.220 -8.161 -12.059 608 H ALA 581 HN ALA 581 -4.265 -4.536 -8.416 609 HA ALA 581 HA ALA 581 -7.093 -5.236 -8.320 610 HB1 ALA 581 HB1 ALA 581 -7.249 -3.583 -6.549 611 HB2 ALA 581 HB2 ALA 581 -5.596 -3.058 -6.864 612 HB3 ALA 581 HB3 ALA 581 -5.901 -4.674 -6.234 613 H ILE 582 HN ILE 582 -8.690 -4.039 -9.228 614 HA ILE 582 HA ILE 582 -7.773 -2.023 -11.141 615 HB ILE 582 HB ILE 582 -10.463 -3.390 -11.079 616 HG12 ILE 582 HG12 ILE 582 -8.010 -4.187 -12.662 617 HG13 ILE 582 HG13 ILE 582 -8.599 -5.040 -11.242 618 HG21 ILE 582 HG21 ILE 582 -10.311 -1.321 -12.392 619 HG22 ILE 582 HG22 ILE 582 -10.561 -2.729 -13.421 620 HG23 ILE 582 HG23 ILE 582 -8.961 -2.001 -13.298 621 HD11 ILE 582 HD11 ILE 582 -10.679 -5.545 -12.425 622 HD12 ILE 582 HD12 ILE 582 -9.264 -6.171 -13.272 623 HD13 ILE 582 HD13 ILE 582 -10.061 -4.709 -13.849 624 H ILE 583 HN ILE 583 -8.046 0.029 -10.625 625 HA ILE 583 HA ILE 583 -10.548 0.827 -9.275 626 HB ILE 583 HB ILE 583 -7.809 2.067 -8.928 627 HG12 ILE 583 HG12 ILE 583 -8.276 0.040 -7.547 628 HG13 ILE 583 HG13 ILE 583 -8.021 1.495 -6.591 629 HG21 ILE 583 HG21 ILE 583 -9.557 3.770 -9.142 630 HG22 ILE 583 HG22 ILE 583 -8.869 3.729 -7.517 631 HG23 ILE 583 HG23 ILE 583 -10.449 3.009 -7.824 632 HD11 ILE 583 HD11 ILE 583 -10.449 1.716 -6.322 633 HD12 ILE 583 HD12 ILE 583 -9.824 0.198 -5.674 634 HD13 ILE 583 HD13 ILE 583 -10.667 0.216 -7.224 635 H ASN 584 HN ASN 584 -11.768 1.828 -10.752 636 HA ASN 584 HA ASN 584 -12.444 3.092 -12.506 637 HB2 ASN 584 HB2 ASN 584 -9.896 4.600 -11.889 638 HB3 ASN 584 HB3 ASN 584 -11.078 5.130 -13.077 639 HD21 ASN 584 HD21 ASN 584 -10.153 6.413 -10.658 640 HD22 ASN 584 HD22 ASN 584 -11.553 6.698 -9.688 641 H GLY 585 HN GLY 585 -10.905 0.722 -12.948 642 HA2 GLY 585 HA2 GLY 585 -10.322 -0.394 -14.879 643 HA3 GLY 585 HA3 GLY 585 -10.329 1.133 -15.744 644 H GLU 586 HN GLU 586 -8.470 1.448 -12.986 645 HA GLU 586 HA GLU 586 -6.018 1.116 -14.563 646 HB2 GLU 586 HB2 GLU 586 -6.588 2.648 -12.020 647 HB3 GLU 586 HB3 GLU 586 -4.990 2.498 -12.736 648 HG2 GLU 586 HG2 GLU 586 -7.335 3.651 -14.212 649 HG3 GLU 586 HG3 GLU 586 -6.242 4.624 -13.230 650 H LYS 587 HN LYS 587 -4.753 -0.547 -14.193 651 HA LYS 587 HA LYS 587 -5.174 -2.355 -12.026 652 HB2 LYS 587 HB2 LYS 587 -2.831 -2.245 -13.928 653 HB3 LYS 587 HB3 LYS 587 -3.349 -3.628 -12.977 654 HG2 LYS 587 HG2 LYS 587 -4.856 -2.362 -15.255 655 HG3 LYS 587 HG3 LYS 587 -4.005 -3.906 -15.285 656 HD2 LYS 587 HD2 LYS 587 -5.543 -4.789 -13.607 657 HD3 LYS 587 HD3 LYS 587 -6.382 -3.239 -13.550 658 HE2 LYS 587 HE2 LYS 587 -7.627 -4.768 -14.936 659 HE3 LYS 587 HE3 LYS 587 -6.940 -3.493 -15.940 660 HZ1 LYS 587 HZ1 LYS 587 -6.704 -5.694 -16.937 661 HZ2 LYS 587 HZ2 LYS 587 -5.787 -6.209 -15.614 662 HZ3 LYS 587 HZ3 LYS 587 -5.199 -4.990 -16.628 663 H LEU 588 HN LEU 588 -4.521 -2.018 -10.014 664 HA LEU 588 HA LEU 588 -2.416 -0.162 -9.382 665 HB2 LEU 588 HB2 LEU 588 -3.875 -2.059 -7.550 666 HB3 LEU 588 HB1 LEU 588 -2.943 -0.654 -7.076 667 HG LEU 588 HG LEU 588 -5.572 -0.653 -8.548 668 HD11 LEU 588 HD11 LEU 588 -4.750 0.144 -5.770 669 HD12 LEU 588 HD12 LEU 588 -5.908 -1.099 -6.247 670 HD13 LEU 588 HD13 LEU 588 -6.284 0.602 -6.502 671 HD21 LEU 588 HD21 LEU 588 -5.457 1.789 -8.375 672 HD22 LEU 588 HD22 LEU 588 -4.175 1.133 -9.394 673 HD23 LEU 588 HD23 LEU 588 -3.814 1.658 -7.750 674 H LEU 589 HN LEU 589 -0.405 -0.598 -8.726 675 HA LEU 589 HA LEU 589 0.422 -3.427 -8.772 676 HB2 LEU 589 HB2 LEU 589 1.320 -2.129 -10.659 677 HB3 LEU 589 HB1 LEU 589 2.061 -1.007 -9.532 678 HG LEU 589 HG LEU 589 3.461 -2.867 -8.666 679 HD11 LEU 589 HD11 LEU 589 2.207 -4.391 -10.938 680 HD12 LEU 589 HD12 LEU 589 2.050 -4.745 -9.217 681 HD13 LEU 589 HD13 LEU 589 3.612 -4.922 -10.017 682 HD21 LEU 589 HD21 LEU 589 4.343 -1.356 -10.350 683 HD22 LEU 589 HD22 LEU 589 3.647 -2.354 -11.627 684 HD23 LEU 589 HD23 LEU 589 4.940 -2.994 -10.615 685 H ILE 590 HN ILE 590 0.933 -4.163 -6.819 686 HA ILE 590 HA ILE 590 1.986 -2.302 -4.817 687 HB ILE 590 HB ILE 590 1.029 -5.153 -4.457 688 HG12 ILE 590 HG12 ILE 590 -0.310 -2.488 -3.964 689 HG13 ILE 590 HG13 ILE 590 -0.846 -3.770 -5.039 690 HG21 ILE 590 HG21 ILE 590 1.084 -4.640 -2.057 691 HG22 ILE 590 HG22 ILE 590 1.776 -3.059 -2.418 692 HG23 ILE 590 HG23 ILE 590 2.683 -4.524 -2.790 693 HD11 ILE 590 HD11 ILE 590 -0.837 -3.813 -2.025 694 HD12 ILE 590 HD12 ILE 590 -1.239 -5.195 -3.050 695 HD13 ILE 590 HD13 ILE 590 -2.239 -3.743 -3.100 696 H ARG 591 HN ARG 591 4.065 -2.381 -4.154 697 HA ARG 591 HA ARG 591 5.773 -4.616 -4.962 698 HB2 ARG 591 HB2 ARG 591 6.123 -1.753 -5.858 699 HB3 ARG 591 HB3 ARG 591 7.441 -2.914 -5.864 700 HG2 ARG 591 HG2 ARG 591 4.862 -3.321 -7.353 701 HG3 ARG 591 HG3 ARG 591 6.299 -2.583 -8.062 702 HD2 ARG 591 HD2 ARG 591 6.093 -5.366 -6.916 703 HD3 ARG 591 HD3 ARG 591 6.179 -4.945 -8.626 704 HE ARG 591 HE ARG 591 8.404 -3.909 -7.175 705 HH11 ARG 591 HH11 ARG 591 7.141 -6.835 -8.636 706 HH12 ARG 591 HH12 ARG 591 8.703 -7.559 -8.827 707 HH21 ARG 591 HH21 ARG 591 10.456 -4.856 -7.444 708 HH22 ARG 591 HH22 ARG 591 10.590 -6.433 -8.158 709 H MET 592 HN MET 592 7.784 -4.682 -3.847 710 HA MET 592 HA MET 592 7.736 -3.354 -1.261 711 HB2 MET 592 HB2 MET 592 9.670 -5.351 -2.448 712 HB3 MET 592 HB3 MET 592 9.823 -4.675 -0.834 713 HG2 MET 592 HG2 MET 592 7.559 -5.610 -0.329 714 HG3 MET 592 HG3 MET 592 7.638 -6.445 -1.879 715 HE1 MET 592 HE1 MET 592 7.241 -8.753 -0.631 716 HE2 MET 592 HE2 MET 592 7.175 -7.902 0.912 717 HE3 MET 592 HE3 MET 592 8.219 -9.311 0.726 718 H SER 593 HN SER 593 8.969 -1.644 -0.688 719 HA SER 593 HA SER 593 10.215 -0.193 -2.812 720 HB2 SER 593 HB2 SER 593 9.990 0.419 0.134 721 HB3 SER 593 HB3 SER 593 10.545 1.549 -1.103 722 HG SER 593 HG SER 593 8.516 2.001 -1.330 723 H THR 594 HN THR 594 12.234 0.230 -3.188 724 HA THR 594 HA THR 594 14.279 -1.417 -1.897 725 HB THR 594 HB THR 594 15.739 -0.545 -3.786 726 HG1 THR 594 HG1 THR 594 14.900 0.878 -5.106 727 HG21 THR 594 HG21 THR 594 14.714 -2.761 -3.866 728 HG22 THR 594 HG22 THR 594 14.715 -2.018 -5.465 729 HG23 THR 594 HG23 THR 594 13.230 -2.062 -4.514 730 H ARG 595 HN ARG 595 13.103 1.720 -1.611 731 HA ARG 595 HA ARG 595 15.774 2.867 -1.197 732 HB2 ARG 595 HB2 ARG 595 13.138 4.229 -1.732 733 HB3 ARG 595 HB3 ARG 595 14.648 5.073 -1.415 734 HG2 ARG 595 HG2 ARG 595 15.627 3.978 -3.401 735 HG3 ARG 595 HG3 ARG 595 14.055 3.251 -3.731 736 HD2 ARG 595 HD2 ARG 595 13.067 5.476 -3.938 737 HD3 ARG 595 HD3 ARG 595 14.639 6.205 -3.606 738 HE ARG 595 HE ARG 595 14.991 4.496 -5.760 739 HH11 ARG 595 HH11 ARG 595 13.195 7.411 -5.027 740 HH12 ARG 595 HH12 ARG 595 13.167 7.962 -6.673 741 HH21 ARG 595 HH21 ARG 595 14.990 5.246 -7.929 742 HH22 ARG 595 HH22 ARG 595 14.205 6.742 -8.317 743 H TYR 596 HN TYR 596 12.764 2.219 0.425 744 HA TYR 596 HA TYR 596 13.933 3.394 2.856 745 HB2 TYR 596 HB2 TYR 596 11.051 3.274 1.990 746 HB3 TYR 596 HB3 TYR 596 11.529 3.599 3.653 747 HD1 TYR 596 HD1 TYR 596 11.143 4.973 0.338 748 HD2 TYR 596 HD2 TYR 596 12.871 5.631 4.166 749 HE1 TYR 596 HE1 TYR 596 11.391 7.361 -0.187 750 HE2 TYR 596 HE2 TYR 596 13.124 8.017 3.654 751 HH TYR 596 HH TYR 596 11.577 9.500 1.036 752 H LYS 597 HN LYS 597 13.438 2.406 4.847 753 HA LYS 597 HA LYS 597 13.151 -0.512 4.615 754 HB2 LYS 597 HB2 LYS 597 14.466 1.140 6.777 755 HB3 LYS 597 HB3 LYS 597 14.403 -0.617 6.723 756 HG2 LYS 597 HG2 LYS 597 16.049 -0.761 5.188 757 HG3 LYS 597 HG3 LYS 597 15.539 0.704 4.346 758 HD2 LYS 597 HD2 LYS 597 16.975 0.646 6.997 759 HD3 LYS 597 HD3 LYS 597 17.745 0.928 5.437 760 HE2 LYS 597 HE2 LYS 597 16.263 2.894 5.116 761 HE3 LYS 597 HE3 LYS 597 15.637 2.643 6.742 762 HZ1 LYS 597 HZ1 LYS 597 18.458 3.236 6.043 763 HZ2 LYS 597 HZ2 LYS 597 17.877 2.964 7.605 764 HZ3 LYS 597 HZ3 LYS 597 17.357 4.317 6.734 765 H GLU 598 HN GLU 598 11.911 2.352 6.127 766 HA GLU 598 HA GLU 598 9.832 0.756 7.430 767 HB2 GLU 598 HB2 GLU 598 11.550 1.076 9.130 768 HB3 GLU 598 HB3 GLU 598 11.566 2.803 8.823 769 HG2 GLU 598 HG2 GLU 598 9.224 2.926 9.616 770 HG3 GLU 598 HG3 GLU 598 9.316 1.209 10.022 771 H LEU 599 HN LEU 599 7.910 1.830 7.742 772 HA LEU 599 HA LEU 599 7.638 4.374 6.320 773 HB2 LEU 599 HB2 LEU 599 5.590 2.335 7.174 774 HB3 LEU 599 HB1 LEU 599 5.175 3.880 6.456 775 HG LEU 599 HG LEU 599 6.698 1.629 5.151 776 HD11 LEU 599 HD11 LEU 599 4.308 1.265 5.237 777 HD12 LEU 599 HD12 LEU 599 4.812 1.642 3.588 778 HD13 LEU 599 HD13 LEU 599 4.020 2.872 4.572 779 HD21 LEU 599 HD21 LEU 599 7.746 3.405 4.173 780 HD22 LEU 599 HD22 LEU 599 6.372 4.487 4.412 781 HD23 LEU 599 HD23 LEU 599 6.322 3.273 3.135 782 H GLN 600 HN GLN 600 7.330 6.202 7.351 783 HA GLN 600 HA GLN 600 6.436 6.087 10.146 784 HB2 GLN 600 HB2 GLN 600 7.597 8.236 10.480 785 HB3 GLN 600 HB3 GLN 600 8.698 6.962 9.980 786 HG2 GLN 600 HG2 GLN 600 8.608 7.840 7.676 787 HG3 GLN 600 HG3 GLN 600 7.591 9.162 8.252 788 HE21 GLN 600 HE21 GLN 600 9.094 10.698 7.631 789 HE22 GLN 600 HE22 GLN 600 10.566 10.953 8.502 790 H LEU 601 HN LEU 601 4.726 7.358 10.767 791 HA LEU 601 HA LEU 601 3.082 8.314 8.578 792 HB2 LEU 601 HB2 LEU 601 2.538 8.049 11.531 793 HB3 LEU 601 HB1 LEU 601 1.375 8.671 10.378 794 HG LEU 601 HG LEU 601 2.496 5.871 10.462 795 HD11 LEU 601 HD11 LEU 601 0.171 5.259 10.939 796 HD12 LEU 601 HD12 LEU 601 -0.266 6.966 10.964 797 HD13 LEU 601 HD13 LEU 601 0.839 6.321 12.178 798 HD21 LEU 601 HD21 LEU 601 2.184 6.530 8.154 799 HD22 LEU 601 HD22 LEU 601 0.570 7.139 8.517 800 HD23 LEU 601 HD23 LEU 601 0.905 5.412 8.631 801 H LYS 602 HN LYS 602 4.270 10.203 7.957 802 HA LYS 602 HA LYS 602 4.607 12.413 9.682 803 HB2 LYS 602 HB2 LYS 602 4.153 12.343 6.688 804 HB3 LYS 602 HB3 LYS 602 4.745 13.729 7.592 805 HG2 LYS 602 HG2 LYS 602 6.150 11.073 7.328 806 HG3 LYS 602 HG3 LYS 602 6.545 12.543 6.441 807 HD2 LYS 602 HD2 LYS 602 6.663 12.220 9.439 808 HD3 LYS 602 HD3 LYS 602 8.048 12.173 8.351 809 HE2 LYS 602 HE2 LYS 602 6.199 14.523 8.748 810 HE3 LYS 602 HE3 LYS 602 7.809 14.354 9.441 811 HZ1 LYS 602 HZ1 LYS 602 7.176 14.490 6.542 812 HZ2 LYS 602 HZ2 LYS 602 8.723 14.306 7.198 813 HZ3 LYS 602 HZ3 LYS 602 7.852 15.729 7.471 814 H LYS 603 HN LYS 603 1.948 11.078 7.933 815 HA LYS 603 HA LYS 603 0.173 13.145 9.044 816 HB2 LYS 603 HB2 LYS 603 -0.221 11.393 6.601 817 HB3 LYS 603 HB3 LYS 603 -1.441 12.475 7.263 818 HG2 LYS 603 HG2 LYS 603 1.243 13.333 6.199 819 HG3 LYS 603 HG3 LYS 603 -0.282 13.424 5.318 820 HD2 LYS 603 HD2 LYS 603 -1.177 14.968 6.954 821 HD3 LYS 603 HD3 LYS 603 0.279 14.811 7.938 822 HE2 LYS 603 HE2 LYS 603 0.338 16.871 6.658 823 HE3 LYS 603 HE3 LYS 603 1.605 15.771 6.118 824 HZ1 LYS 603 HZ1 LYS 603 0.519 16.783 4.236 825 HZ2 LYS 603 HZ2 LYS 603 -0.994 16.251 4.765 826 HZ3 LYS 603 HZ3 LYS 603 0.160 15.128 4.258 827 HA PRO 604 HA PRO 604 -1.196 10.015 11.794 828 HB2 PRO 604 HB2 PRO 604 -3.716 10.977 12.300 829 HB3 PRO 604 HB1 PRO 604 -2.244 11.608 13.043 830 HG2 PRO 604 HG2 PRO 604 -3.783 12.655 10.702 831 HG3 PRO 604 HG3 PRO 604 -3.041 13.546 12.044 832 HD2 PRO 604 HD2 PRO 604 -1.873 13.409 9.632 833 HD3 PRO 604 HD3 PRO 604 -0.917 13.403 11.129 834 H GLY 605 HN GLY 605 -2.942 8.440 12.124 835 HA2 GLY 605 HA2 GLY 605 -4.286 7.770 9.595 836 HA3 GLY 605 HA3 GLY 605 -3.393 6.562 10.508 837 H LYS 606 HN LYS 606 -6.336 7.229 9.771 838 HA LYS 606 HA LYS 606 -7.680 7.315 12.303 839 HB2 LYS 606 HB2 LYS 606 -9.696 6.726 10.947 840 HB3 LYS 606 HB3 LYS 606 -8.834 8.137 10.349 841 HG2 LYS 606 HG2 LYS 606 -7.789 6.784 8.615 842 HG3 LYS 606 HG3 LYS 606 -8.615 5.351 9.226 843 HD2 LYS 606 HD2 LYS 606 -9.737 6.283 7.257 844 HD3 LYS 606 HD3 LYS 606 -10.769 6.342 8.685 845 HE2 LYS 606 HE2 LYS 606 -10.850 8.403 7.306 846 HE3 LYS 606 HE3 LYS 606 -10.347 8.683 8.970 847 HZ1 LYS 606 HZ1 LYS 606 -9.049 9.849 7.156 848 HZ2 LYS 606 HZ2 LYS 606 -8.376 8.336 6.781 849 HZ3 LYS 606 HZ3 LYS 606 -8.144 9.017 8.314 850 H ASN 607 HN ASN 607 -9.156 5.472 13.010 851 HA ASN 607 HA ASN 607 -7.781 3.124 13.438 852 HB2 ASN 607 HB2 ASN 607 -9.711 3.830 14.767 853 HB3 ASN 607 HB3 ASN 607 -10.772 3.587 13.384 854 HD21 ASN 607 HD21 ASN 607 -8.967 2.081 15.912 855 HD22 ASN 607 HD22 ASN 607 -9.617 0.490 15.706 856 H VAL 608 HN VAL 608 -7.260 1.488 12.188 857 HA VAL 608 HA VAL 608 -8.322 1.381 9.495 858 HB VAL 608 HB VAL 608 -6.018 -0.035 10.840 859 HG11 VAL 608 HG11 VAL 608 -6.969 -0.280 7.999 860 HG12 VAL 608 HG12 VAL 608 -6.852 -1.566 9.195 861 HG13 VAL 608 HG13 VAL 608 -5.385 -0.808 8.567 862 HG21 VAL 608 HG21 VAL 608 -4.654 1.348 9.354 863 HG22 VAL 608 HG22 VAL 608 -5.689 2.341 10.378 864 HG23 VAL 608 HG23 VAL 608 -6.113 2.083 8.686 865 H ALA 609 HN ALA 609 -8.814 -0.226 12.473 866 HA ALA 609 HA ALA 609 -9.692 -2.748 11.553 867 HB1 ALA 609 HB1 ALA 609 -9.215 -2.296 13.907 868 HB2 ALA 609 HB2 ALA 609 -10.836 -2.952 13.691 869 HB3 ALA 609 HB3 ALA 609 -10.615 -1.228 13.985 870 H ALA 610 HN ALA 610 -11.302 0.361 11.850 871 HA ALA 610 HA ALA 610 -13.926 -0.496 11.266 872 HB1 ALA 610 HB1 ALA 610 -13.439 1.721 12.175 873 HB2 ALA 610 HB2 ALA 610 -14.361 1.837 10.675 874 HB3 ALA 610 HB3 ALA 610 -12.628 2.163 10.673 875 H ILE 611 HN ILE 611 -11.123 0.084 9.311 876 HA ILE 611 HA ILE 611 -12.451 0.214 6.794 877 HB ILE 611 HB ILE 611 -9.568 -0.491 7.426 878 HG12 ILE 611 HG12 ILE 611 -10.803 2.131 6.552 879 HG13 ILE 611 HG13 ILE 611 -10.310 1.756 8.199 880 HG21 ILE 611 HG21 ILE 611 -10.273 -1.258 5.199 881 HG22 ILE 611 HG22 ILE 611 -9.106 0.060 5.103 882 HG23 ILE 611 HG23 ILE 611 -10.819 0.375 4.820 883 HD11 ILE 611 HD11 ILE 611 -8.627 3.096 7.152 884 HD12 ILE 611 HD12 ILE 611 -8.533 1.986 5.785 885 HD13 ILE 611 HD13 ILE 611 -7.989 1.465 7.379 886 H ILE 612 HN ILE 612 -11.112 -2.372 8.792 887 HA ILE 612 HA ILE 612 -11.447 -4.535 7.064 888 HB ILE 612 HB ILE 612 -11.998 -4.525 10.044 889 HG12 ILE 612 HG12 ILE 612 -9.417 -5.147 8.594 890 HG13 ILE 612 HG13 ILE 612 -9.740 -3.653 9.468 891 HG21 ILE 612 HG21 ILE 612 -12.846 -6.512 8.949 892 HG22 ILE 612 HG22 ILE 612 -11.429 -6.912 9.919 893 HG23 ILE 612 HG23 ILE 612 -11.288 -6.772 8.167 894 HD11 ILE 612 HD11 ILE 612 -8.386 -5.170 10.787 895 HD12 ILE 612 HD12 ILE 612 -9.629 -6.415 10.661 896 HD13 ILE 612 HD13 ILE 612 -9.961 -4.923 11.543 897 H GLN 613 HN GLN 613 -13.738 -2.920 9.210 898 HA GLN 613 HA GLN 613 -15.956 -4.584 8.660 899 HB2 GLN 613 HB2 GLN 613 -15.908 -1.678 9.493 900 HB3 GLN 613 HB3 GLN 613 -17.316 -2.726 9.551 901 HG2 GLN 613 HG2 GLN 613 -14.800 -2.948 11.180 902 HG3 GLN 613 HG3 GLN 613 -16.423 -2.562 11.747 903 HE21 GLN 613 HE21 GLN 613 -14.251 -5.059 10.789 904 HE22 GLN 613 HE22 GLN 613 -15.248 -6.392 11.224 905 H ASP 614 HN ASP 614 -14.543 -1.890 7.008 906 HA ASP 614 HA ASP 614 -16.686 -1.344 5.215 907 HB2 ASP 614 HB2 ASP 614 -13.729 -0.769 5.036 908 HB3 ASP 614 HB3 ASP 614 -14.843 -0.340 3.744 909 H ILE 615 HN ILE 615 -13.835 -3.441 5.002 910 HA ILE 615 HA ILE 615 -14.223 -4.357 2.370 911 HB ILE 615 HB ILE 615 -12.967 -5.787 4.719 912 HG12 ILE 615 HG12 ILE 615 -11.654 -4.201 2.513 913 HG13 ILE 615 HG13 ILE 615 -12.023 -3.543 4.104 914 HG21 ILE 615 HG21 ILE 615 -11.784 -7.113 3.033 915 HG22 ILE 615 HG22 ILE 615 -12.686 -6.297 1.756 916 HG23 ILE 615 HG23 ILE 615 -13.530 -7.329 2.910 917 HD11 ILE 615 HD11 ILE 615 -10.156 -5.801 3.470 918 HD12 ILE 615 HD12 ILE 615 -10.585 -5.280 5.098 919 HD13 ILE 615 HD13 ILE 615 -9.731 -4.181 4.016 920 H HIS 616 HN HIS 616 -15.242 -5.655 5.490 921 HA HIS 616 HA HIS 616 -16.474 -7.986 4.511 922 HB2 HIS 616 HB2 HIS 616 -16.975 -6.427 7.048 923 HB3 HIS 616 HB3 HIS 616 -17.685 -7.999 6.709 924 HD1 HIS 616 HD1 HIS 616 -16.187 -8.191 9.125 925 HD2 HIS 616 HD2 HIS 616 -14.202 -8.333 5.474 926 HE1 HIS 616 HE1 HIS 616 -13.976 -9.289 9.599 927 HE2 HIS 616 HE2 HIS 616 -12.725 -9.194 7.416 928 H SER 617 HN SER 617 -17.688 -4.722 4.981 929 HA SER 617 HA SER 617 -20.391 -5.382 4.374 930 HB2 SER 617 HB2 SER 617 -19.007 -2.693 4.327 931 HB3 SER 617 HB3 SER 617 -20.751 -2.959 4.307 932 HG SER 617 HG SER 617 -18.901 -3.360 6.396 933 H GLN 618 HN GLN 618 -17.583 -4.458 2.564 934 HA GLN 618 HA GLN 618 -17.085 -4.410 0.362 935 HB2 GLN 618 HB2 GLN 618 -19.825 -5.629 0.036 936 HB3 GLN 618 HB3 GLN 618 -18.725 -5.335 -1.302 937 HG2 GLN 618 HG2 GLN 618 -17.068 -6.809 -0.181 938 HG3 GLN 618 HG3 GLN 618 -18.299 -7.191 1.024 939 HE21 GLN 618 HE21 GLN 618 -18.357 -9.360 0.469 940 HE22 GLN 618 HE22 GLN 618 -19.056 -9.921 -1.010 941 H ARG 619 HN ARG 619 -17.775 -3.390 -1.750 942 HA ARG 619 HA ARG 619 -19.666 -1.183 -1.319 943 HB2 ARG 619 HB2 ARG 619 -16.953 -1.010 -2.648 944 HB3 ARG 619 HB3 ARG 619 -18.166 0.260 -2.707 945 HG2 ARG 619 HG2 ARG 619 -18.061 0.409 -0.236 946 HG3 ARG 619 HG3 ARG 619 -16.752 -0.771 -0.258 947 HD2 ARG 619 HD2 ARG 619 -15.895 1.514 -0.111 948 HD3 ARG 619 HD3 ARG 619 -15.400 0.735 -1.613 949 HE ARG 619 HE ARG 619 -17.724 2.091 -2.207 950 HH11 ARG 619 HH11 ARG 619 -14.543 2.951 -0.999 951 HH12 ARG 619 HH12 ARG 619 -14.574 4.537 -1.711 952 HH21 ARG 619 HH21 ARG 619 -17.750 4.158 -3.145 953 HH22 ARG 619 HH22 ARG 619 -16.392 5.218 -2.931 954 H GLU 620 HN GLU 620 -21.165 -1.051 -2.863 955 HA GLU 620 HA GLU 620 -21.105 -2.963 -5.019 956 HB2 GLU 620 HB2 GLU 620 -23.152 -0.872 -4.258 957 HB3 GLU 620 HB3 GLU 620 -23.377 -2.077 -5.518 958 HG2 GLU 620 HG2 GLU 620 -22.888 -2.711 -2.619 959 HG3 GLU 620 HG3 GLU 620 -24.478 -2.640 -3.375 960 H ARG 621 HN ARG 621 -19.109 -1.821 -5.846 961 HA ARG 621 HA ARG 621 -18.037 -0.612 -7.426 962 HB2 ARG 621 HB2 ARG 621 -20.820 -0.233 -8.541 963 HB3 ARG 621 HB3 ARG 621 -19.337 0.194 -9.382 964 HG2 ARG 621 HG2 ARG 621 -18.647 -2.144 -9.367 965 HG3 ARG 621 HG3 ARG 621 -20.126 -2.577 -8.508 966 HD2 ARG 621 HD2 ARG 621 -20.341 -3.036 -10.889 967 HD3 ARG 621 HD3 ARG 621 -21.457 -1.768 -10.389 968 HE ARG 621 HE ARG 621 -18.937 -0.827 -11.444 969 HH11 ARG 621 HH11 ARG 621 -22.260 -1.672 -12.149 970 HH12 ARG 621 HH12 ARG 621 -22.297 -0.798 -13.646 971 HH21 ARG 621 HH21 ARG 621 -18.990 0.333 -13.409 972 HH22 ARG 621 HH22 ARG 621 -20.437 0.342 -14.365 Start of MODEL 6 1 HO5' ADN 1 H5T ADE 1 10.622 -1.569 -13.125 2 H5'1 ADN 1 H5' ADE 1 8.250 -0.172 -13.000 3 H5'2 ADN 1 H5'' ADE 1 9.771 0.230 -13.811 4 H4' ADN 1 H4' ADE 1 9.043 1.717 -11.897 5 H3' ADN 1 H3' ADE 1 11.538 1.385 -12.767 6 H2' ADN 1 H2' ADE 1 12.065 -0.590 -11.467 7 HO2' ADN 1 HO2' ADE 1 12.693 1.710 -9.897 8 H1' ADN 1 H1' ADE 1 10.756 0.727 -9.028 9 H8 ADN 1 H8 ADE 1 11.635 -2.456 -10.925 10 HN61 ADN 1 H61 ADE 1 10.901 -5.621 -7.309 11 HN62 ADN 1 H62 ADE 1 10.267 -5.459 -5.687 12 H2 ADN 1 H2 ADE 1 9.201 -1.136 -5.142 13 H5' U 2 H5' URI 2 11.338 5.918 -10.004 14 H5'' U 2 H5'' URI 2 10.458 4.434 -9.592 15 H4' U 2 H4' URI 2 9.468 7.205 -10.007 16 H3' U 2 H3' URI 2 9.659 5.864 -7.701 17 H2' U 2 H2' URI 2 8.304 3.957 -8.439 18 HO2' U 2 HO2' URI 2 6.620 5.912 -7.212 19 H1' U 2 H1' URI 2 6.373 6.090 -9.550 20 H3 U 2 H3 URI 2 3.328 3.187 -10.982 21 H5 U 2 H5 URI 2 6.922 1.118 -11.637 22 H6 U 2 H6 URI 2 8.085 2.981 -10.649 23 H5' C 3 H5' CYT 3 6.249 7.511 -4.444 24 H5'' C 3 H5'' CYT 3 7.348 8.901 -4.503 25 H4' C 3 H4' CYT 3 7.089 7.772 -2.282 26 H3' C 3 H3' CYT 3 9.281 9.070 -3.180 27 H2' C 3 H2' CYT 3 10.482 7.168 -4.019 28 HO2' C 3 HO2' CYT 3 11.476 8.128 -1.942 29 H1' C 3 H1' CYT 3 9.503 5.526 -1.619 30 H41 C 3 H41 CYT 3 11.243 1.458 -6.554 31 H42 C 3 H42 CYT 3 11.867 0.771 -5.072 32 H5 C 3 H5 CYT 3 10.052 3.562 -6.633 33 H6 C 3 H6 CYT 3 9.219 5.433 -5.312 34 H5' U 4 H5' URI 4 6.621 9.731 -0.922 35 H5'' U 4 H5'' URI 4 7.106 11.397 -1.292 36 H4' U 4 H4' URI 4 5.132 11.500 0.001 37 H3' U 4 H3' URI 4 7.194 13.008 0.783 38 H2' U 4 H2' URI 4 8.157 11.340 2.296 39 HO2' U 4 HO2' URI 4 6.473 13.212 3.550 40 H1' U 4 H1' URI 4 5.279 10.904 3.305 41 H3 U 4 H3 URI 4 6.981 8.297 6.542 42 H5 U 4 H5 URI 4 8.423 6.575 2.997 43 H6 U 4 H6 URI 4 7.528 8.466 1.806 44 H5' U 5 H5' URI 5 3.098 13.145 -0.928 45 H5'' U 5 H5'' URI 5 2.320 14.739 -0.896 46 H4' U 5 H4' URI 5 0.752 12.843 -0.814 47 H3' U 5 H3' URI 5 0.439 15.178 0.564 48 H2' U 5 H2' URI 5 1.143 14.362 2.713 49 HO2' U 5 HO2' URI 5 -1.240 13.066 3.098 50 H1' U 5 H1' URI 5 -0.211 11.690 2.021 51 H3 U 5 H3 URI 5 0.797 10.074 6.050 52 H5 U 5 H5 URI 5 4.362 11.963 4.888 53 H6 U 5 H6 URI 5 3.229 12.714 2.901 54 H5' A 6 H5' ADE 6 -3.576 16.264 2.837 55 H5'' A 6 H5'' ADE 6 -3.785 16.906 1.197 56 H4' A 6 H4' ADE 6 -2.472 18.063 3.531 57 H3' A 6 H3' ADE 6 -4.387 19.060 1.967 58 HO3' A 6 H3T ADE 6 -2.684 21.041 2.582 59 H2' A 6 H2' ADE 6 -3.129 19.053 -0.104 60 HO2' A 6 HO2' ADE 6 -3.798 21.258 0.465 61 H1' A 6 H1' ADE 6 -0.722 20.181 1.433 62 H8 A 6 H8 ADE 6 -1.777 19.743 -1.857 63 H61 A 6 H61 ADE 6 2.110 17.795 -4.028 64 H62 A 6 H62 ADE 6 3.557 17.016 -3.424 65 H2 A 6 H2 ADE 6 3.251 17.007 1.048 66 H1 GLY 510 HT1 GLY 510 12.482 -11.409 -1.852 67 H2 GLY 510 HT2 GLY 510 11.506 -10.069 -1.516 68 H3 GLY 510 HT3 GLY 510 12.067 -11.046 -0.254 69 HA2 GLY 510 HA3 GLY 510 13.763 -9.381 -2.025 70 HA3 GLY 510 HA2 GLY 510 13.317 -8.976 -0.376 71 H ALA 511 HN ALA 511 14.596 -9.637 1.219 72 HA ALA 511 HA ALA 511 16.112 -10.783 2.449 73 HB1 ALA 511 HB1 ALA 511 16.717 -13.066 1.894 74 HB2 ALA 511 HB2 ALA 511 16.016 -12.878 0.287 75 HB3 ALA 511 HB3 ALA 511 14.981 -12.817 1.712 76 H MET 512 HN MET 512 16.969 -10.953 -1.011 77 HA MET 512 HA MET 512 19.726 -11.225 -0.652 78 HB2 MET 512 HB2 MET 512 18.563 -11.636 -2.788 79 HB3 MET 512 HB3 MET 512 18.288 -9.910 -2.962 80 HG2 MET 512 HG2 MET 512 20.697 -9.532 -3.054 81 HG3 MET 512 HG3 MET 512 20.975 -11.263 -2.885 82 HE1 MET 512 HE1 MET 512 18.584 -12.437 -4.708 83 HE2 MET 512 HE2 MET 512 20.235 -13.055 -4.693 84 HE3 MET 512 HE3 MET 512 19.457 -12.650 -6.223 85 H ALA 513 HN ALA 513 18.090 -8.236 -1.736 86 HA ALA 513 HA ALA 513 20.130 -6.724 -0.232 87 HB1 ALA 513 HB1 ALA 513 20.107 -5.027 -1.981 88 HB2 ALA 513 HB2 ALA 513 18.939 -5.974 -2.901 89 HB3 ALA 513 HB3 ALA 513 20.568 -6.597 -2.638 90 H GLN 514 HN GLN 514 17.234 -7.617 0.179 91 HA GLN 514 HA GLN 514 16.176 -4.960 0.840 92 HB2 GLN 514 HB2 GLN 514 14.741 -7.352 -0.277 93 HB3 GLN 514 HB3 GLN 514 13.882 -6.089 0.593 94 HG2 GLN 514 HG2 GLN 514 15.620 -5.543 -1.796 95 HG3 GLN 514 HG3 GLN 514 13.894 -5.891 -1.911 96 HE21 GLN 514 HE21 GLN 514 12.419 -4.380 -1.206 97 HE22 GLN 514 HE22 GLN 514 12.845 -2.747 -0.854 98 H ARG 515 HN ARG 515 16.057 -4.653 2.918 99 HA ARG 515 HA ARG 515 15.709 -6.919 4.735 100 HB2 ARG 515 HB2 ARG 515 16.427 -4.031 5.275 101 HB3 ARG 515 HB3 ARG 515 16.270 -5.270 6.511 102 HG2 ARG 515 HG2 ARG 515 18.107 -6.519 5.490 103 HG3 ARG 515 HG3 ARG 515 18.269 -5.265 4.261 104 HD2 ARG 515 HD2 ARG 515 18.738 -3.626 6.046 105 HD3 ARG 515 HD3 ARG 515 18.656 -4.926 7.232 106 HE ARG 515 HE ARG 515 20.516 -5.751 5.391 107 HH11 ARG 515 HH11 ARG 515 20.135 -3.016 7.538 108 HH12 ARG 515 HH12 ARG 515 21.838 -2.745 7.707 109 HH21 ARG 515 HH21 ARG 515 22.765 -5.394 5.607 110 HH22 ARG 515 HH22 ARG 515 23.336 -4.093 6.602 111 H LYS 516 HN LYS 516 13.639 -7.429 5.000 112 HA LYS 516 HA LYS 516 11.737 -5.310 5.677 113 HB2 LYS 516 HB2 LYS 516 11.302 -7.416 3.547 114 HB3 LYS 516 HB3 LYS 516 10.026 -6.401 4.206 115 HG2 LYS 516 HG2 LYS 516 12.473 -5.338 2.809 116 HG3 LYS 516 HG3 LYS 516 10.923 -5.637 2.017 117 HD2 LYS 516 HD2 LYS 516 9.833 -4.017 3.420 118 HD3 LYS 516 HD3 LYS 516 11.291 -3.816 4.393 119 HE2 LYS 516 HE2 LYS 516 11.156 -3.193 1.451 120 HE3 LYS 516 HE3 LYS 516 10.842 -2.000 2.711 121 HZ1 LYS 516 HZ1 LYS 516 13.104 -2.510 3.582 122 HZ2 LYS 516 HZ2 LYS 516 13.100 -1.791 2.051 123 HZ3 LYS 516 HZ3 LYS 516 13.383 -3.450 2.207 124 H GLY 517 HN GLY 517 12.834 -6.811 7.574 125 HA2 GLY 517 HA2 GLY 517 10.857 -8.933 8.140 126 HA3 GLY 517 HA3 GLY 517 12.500 -8.922 8.765 127 H ALA 518 HN ALA 518 12.929 -6.624 9.897 128 HA ALA 518 HA ALA 518 10.993 -6.528 12.060 129 HB1 ALA 518 HB1 ALA 518 13.366 -6.680 12.612 130 HB2 ALA 518 HB2 ALA 518 12.663 -5.186 13.232 131 HB3 ALA 518 HB3 ALA 518 13.658 -5.155 11.777 132 H GLY 519 HN GLY 519 11.725 -4.884 9.261 133 HA2 GLY 519 HA2 GLY 519 9.721 -2.852 9.853 134 HA3 GLY 519 HA3 GLY 519 11.325 -2.272 9.406 135 H ARG 520 HN ARG 520 8.408 -2.623 8.113 136 HA ARG 520 HA ARG 520 9.521 -3.484 5.525 137 HB2 ARG 520 HB2 ARG 520 6.753 -4.034 6.601 138 HB3 ARG 520 HB3 ARG 520 7.334 -4.479 5.001 139 HG2 ARG 520 HG2 ARG 520 8.678 -6.158 5.804 140 HG3 ARG 520 HG3 ARG 520 8.817 -5.426 7.404 141 HD2 ARG 520 HD2 ARG 520 6.350 -6.725 6.258 142 HD3 ARG 520 HD3 ARG 520 7.435 -7.438 7.453 143 HE ARG 520 HE ARG 520 5.630 -5.158 7.889 144 HH11 ARG 520 HH11 ARG 520 7.743 -7.645 9.175 145 HH12 ARG 520 HH12 ARG 520 7.284 -7.348 10.819 146 HH21 ARG 520 HH21 ARG 520 5.047 -4.768 10.052 147 HH22 ARG 520 HH22 ARG 520 5.760 -5.721 11.318 148 H VAL 521 HN VAL 521 9.264 -2.159 3.925 149 HA VAL 521 HA VAL 521 7.097 -0.176 4.007 150 HB VAL 521 HB VAL 521 9.751 0.094 2.593 151 HG11 VAL 521 HG11 VAL 521 9.001 2.358 2.053 152 HG12 VAL 521 HG12 VAL 521 7.416 1.970 2.716 153 HG13 VAL 521 HG13 VAL 521 8.003 1.120 1.290 154 HG21 VAL 521 HG21 VAL 521 9.913 0.398 4.995 155 HG22 VAL 521 HG22 VAL 521 8.601 1.575 4.937 156 HG23 VAL 521 HG23 VAL 521 10.136 1.925 4.145 157 H VAL 522 HN VAL 522 5.544 -0.550 2.602 158 HA VAL 522 HA VAL 522 6.191 -2.052 0.150 159 HB VAL 522 HB VAL 522 3.554 -2.120 1.626 160 HG11 VAL 522 HG11 VAL 522 4.627 -3.759 -0.663 161 HG12 VAL 522 HG12 VAL 522 3.325 -2.570 -0.732 162 HG13 VAL 522 HG13 VAL 522 3.107 -4.067 0.178 163 HG21 VAL 522 HG21 VAL 522 5.248 -3.177 3.005 164 HG22 VAL 522 HG22 VAL 522 5.775 -4.161 1.639 165 HG23 VAL 522 HG23 VAL 522 4.167 -4.396 2.326 166 H HIS 523 HN HIS 523 5.825 -0.840 -1.680 167 HA HIS 523 HA HIS 523 4.260 1.605 -1.308 168 HB2 HIS 523 HB2 HIS 523 6.611 1.892 -1.967 169 HB3 HIS 523 HB3 HIS 523 6.350 0.873 -3.375 170 HD1 HIS 523 HD1 HIS 523 5.159 1.927 -5.396 171 HD2 HIS 523 HD2 HIS 523 5.648 4.524 -2.192 172 HE1 HIS 523 HE1 HIS 523 4.723 4.223 -6.315 173 HE2 HIS 523 HE2 HIS 523 5.259 5.781 -4.421 174 H ILE 524 HN ILE 524 2.475 1.935 -2.399 175 HA ILE 524 HA ILE 524 1.697 0.007 -4.482 176 HB ILE 524 HB ILE 524 -0.098 1.713 -2.741 177 HG12 ILE 524 HG12 ILE 524 0.640 -1.214 -2.538 178 HG13 ILE 524 HG13 ILE 524 1.032 0.050 -1.382 179 HG21 ILE 524 HG21 ILE 524 -1.151 1.222 -4.839 180 HG22 ILE 524 HG22 ILE 524 -1.881 0.199 -3.599 181 HG23 ILE 524 HG23 ILE 524 -0.701 -0.478 -4.721 182 HD11 ILE 524 HD11 ILE 524 -1.734 -0.935 -2.030 183 HD12 ILE 524 HD12 ILE 524 -1.322 0.305 -0.846 184 HD13 ILE 524 HD13 ILE 524 -0.786 -1.360 -0.604 185 H CYS 525 HN CYS 525 1.005 0.848 -6.446 186 HA CYS 525 HA CYS 525 0.983 3.752 -6.700 187 HB2 CYS 525 HB2 CYS 525 2.444 3.388 -8.829 188 HB3 CYS 525 HB3 CYS 525 3.210 3.483 -7.249 189 HG CYS 525 HG CYS 525 2.694 0.383 -7.448 190 H ASN 526 HN ASN 526 0.273 4.494 -8.772 191 HA ASN 526 HA ASN 526 -0.858 4.456 -10.763 192 HB2 ASN 526 HB2 ASN 526 -1.390 1.523 -10.242 193 HB3 ASN 526 HB3 ASN 526 -1.894 2.396 -11.682 194 HD21 ASN 526 HD21 ASN 526 -0.260 0.093 -11.596 195 HD22 ASN 526 HD22 ASN 526 1.286 0.527 -12.246 196 H LEU 527 HN LEU 527 -1.739 4.995 -8.078 197 HA LEU 527 HA LEU 527 -4.567 4.308 -8.054 198 HB2 LEU 527 HB2 LEU 527 -2.806 5.907 -6.195 199 HB3 LEU 527 HB1 LEU 527 -4.536 5.760 -5.972 200 HG LEU 527 HG LEU 527 -2.667 3.390 -6.006 201 HD11 LEU 527 HD11 LEU 527 -2.060 4.834 -4.149 202 HD12 LEU 527 HD12 LEU 527 -2.910 3.406 -3.554 203 HD13 LEU 527 HD13 LEU 527 -3.751 4.952 -3.662 204 HD21 LEU 527 HD21 LEU 527 -4.556 2.265 -4.940 205 HD22 LEU 527 HD22 LEU 527 -5.003 2.903 -6.521 206 HD23 LEU 527 HD23 LEU 527 -5.507 3.745 -5.056 207 HA PRO 528 HA PRO 528 -5.290 8.070 -10.392 208 HB2 PRO 528 HB2 PRO 528 -8.135 7.603 -9.945 209 HB3 PRO 528 HB1 PRO 528 -7.225 7.558 -11.454 210 HG2 PRO 528 HG2 PRO 528 -8.263 5.339 -10.294 211 HG3 PRO 528 HG3 PRO 528 -6.792 5.315 -11.281 212 HD2 PRO 528 HD2 PRO 528 -7.082 5.270 -8.304 213 HD3 PRO 528 HD3 PRO 528 -5.940 4.391 -9.344 214 H GLU 529 HN GLU 529 -5.418 10.119 -9.714 215 HA GLU 529 HA GLU 529 -5.980 10.806 -7.032 216 HB2 GLU 529 HB2 GLU 529 -4.490 12.128 -8.474 217 HB3 GLU 529 HB3 GLU 529 -5.861 12.563 -9.487 218 HG2 GLU 529 HG2 GLU 529 -6.882 13.706 -7.552 219 HG3 GLU 529 HG3 GLU 529 -5.441 13.330 -6.608 220 H GLY 530 HN GLY 530 -7.831 11.727 -6.096 221 HA2 GLY 530 HA2 GLY 530 -10.099 12.276 -6.011 222 HA3 GLY 530 HA3 GLY 530 -10.216 11.970 -7.741 223 H SER 531 HN SER 531 -8.560 9.500 -6.242 224 HA SER 531 HA SER 531 -10.831 7.879 -5.567 225 HB2 SER 531 HB2 SER 531 -9.221 7.362 -8.069 226 HB3 SER 531 HB3 SER 531 -10.202 6.121 -7.283 227 HG SER 531 HG SER 531 -11.533 8.490 -7.687 228 H CYS 532 HN CYS 532 -7.874 8.870 -4.954 229 HA CYS 532 HA CYS 532 -6.710 6.329 -4.124 230 HB2 CYS 532 HB2 CYS 532 -5.731 9.151 -3.626 231 HB3 CYS 532 HB3 CYS 532 -4.823 7.677 -3.328 232 HG CYS 532 HG CYS 532 -5.867 8.205 -6.494 233 H THR 533 HN THR 533 -8.494 5.804 -2.669 234 HA THR 533 HA THR 533 -8.829 7.666 -0.437 235 HB THR 533 HB THR 533 -10.799 6.441 0.160 236 HG1 THR 533 HG1 THR 533 -10.900 4.580 -1.809 237 HG21 THR 533 HG21 THR 533 -10.651 6.701 -2.846 238 HG22 THR 533 HG22 THR 533 -11.118 7.965 -1.708 239 HG23 THR 533 HG23 THR 533 -12.138 6.541 -1.911 240 H GLU 534 HN GLU 534 -8.588 6.952 1.723 241 HA GLU 534 HA GLU 534 -6.477 5.152 2.188 242 HB2 GLU 534 HB2 GLU 534 -8.559 6.044 4.187 243 HB3 GLU 534 HB3 GLU 534 -6.961 5.415 4.540 244 HG2 GLU 534 HG2 GLU 534 -6.655 7.681 4.834 245 HG3 GLU 534 HG3 GLU 534 -6.115 7.475 3.157 246 H ASN 535 HN ASN 535 -9.906 4.841 2.014 247 HA ASN 535 HA ASN 535 -10.152 2.382 3.370 248 HB2 ASN 535 HB2 ASN 535 -12.039 3.967 2.837 249 HB3 ASN 535 HB3 ASN 535 -11.962 3.392 1.174 250 HD21 ASN 535 HD21 ASN 535 -14.006 2.507 1.196 251 HD22 ASN 535 HD22 ASN 535 -14.417 1.103 2.123 252 H ASP 536 HN ASP 536 -9.773 3.132 -0.133 253 HA ASP 536 HA ASP 536 -10.259 0.406 -0.881 254 HB2 ASP 536 HB2 ASP 536 -9.160 2.752 -2.432 255 HB3 ASP 536 HB3 ASP 536 -9.401 1.160 -3.143 256 H VAL 537 HN VAL 537 -7.426 2.402 -0.591 257 HA VAL 537 HA VAL 537 -5.503 0.585 -1.564 258 HB VAL 537 HB VAL 537 -5.066 2.706 0.560 259 HG11 VAL 537 HG11 VAL 537 -3.186 1.131 0.278 260 HG12 VAL 537 HG12 VAL 537 -2.779 2.773 -0.232 261 HG13 VAL 537 HG13 VAL 537 -3.135 1.537 -1.441 262 HG21 VAL 537 HG21 VAL 537 -4.462 4.164 -1.338 263 HG22 VAL 537 HG22 VAL 537 -6.159 3.686 -1.350 264 HG23 VAL 537 HG23 VAL 537 -5.015 2.909 -2.445 265 H ILE 538 HN ILE 538 -6.575 1.260 1.739 266 HA ILE 538 HA ILE 538 -5.091 -0.837 2.917 267 HB ILE 538 HB ILE 538 -7.439 0.733 3.951 268 HG12 ILE 538 HG12 ILE 538 -4.478 0.815 4.555 269 HG13 ILE 538 HG13 ILE 538 -5.376 2.006 3.615 270 HG21 ILE 538 HG21 ILE 538 -5.733 -1.355 5.285 271 HG22 ILE 538 HG22 ILE 538 -7.484 -1.365 5.086 272 HG23 ILE 538 HG23 ILE 538 -6.727 -0.198 6.168 273 HD11 ILE 538 HD11 ILE 538 -6.657 2.624 5.556 274 HD12 ILE 538 HD12 ILE 538 -4.932 2.732 5.915 275 HD13 ILE 538 HD13 ILE 538 -5.875 1.361 6.509 276 H ASN 539 HN ASN 539 -8.371 -0.681 1.565 277 HA ASN 539 HA ASN 539 -9.333 -3.125 2.494 278 HB2 ASN 539 HB2 ASN 539 -9.819 -1.842 -0.204 279 HB3 ASN 539 HB3 ASN 539 -10.662 -3.272 0.361 280 HD21 ASN 539 HD21 ASN 539 -10.781 -2.145 3.134 281 HD22 ASN 539 HD22 ASN 539 -12.020 -0.953 3.067 282 H LEU 540 HN LEU 540 -6.995 -2.416 0.009 283 HA LEU 540 HA LEU 540 -6.885 -5.096 -0.987 284 HB2 LEU 540 HB2 LEU 540 -4.863 -2.855 -1.090 285 HB3 LEU 540 HB1 LEU 540 -4.768 -4.341 -2.014 286 HG LEU 540 HG LEU 540 -6.845 -2.174 -2.303 287 HD11 LEU 540 HD11 LEU 540 -4.650 -1.622 -3.212 288 HD12 LEU 540 HD12 LEU 540 -5.846 -1.847 -4.487 289 HD13 LEU 540 HD13 LEU 540 -4.665 -3.112 -4.155 290 HD21 LEU 540 HD21 LEU 540 -7.872 -4.339 -2.681 291 HD22 LEU 540 HD22 LEU 540 -6.565 -4.792 -3.774 292 HD23 LEU 540 HD23 LEU 540 -7.669 -3.487 -4.211 293 H GLY 541 HN GLY 541 -5.013 -3.162 1.337 294 HA2 GLY 541 HA2 GLY 541 -3.119 -5.115 1.973 295 HA3 GLY 541 HA3 GLY 541 -3.562 -3.749 2.986 296 H LEU 542 HN LEU 542 -6.111 -4.354 3.761 297 HA LEU 542 HA LEU 542 -5.426 -5.797 6.029 298 HB2 LEU 542 HB2 LEU 542 -8.038 -4.878 4.942 299 HB3 LEU 542 HB1 LEU 542 -7.980 -5.845 6.403 300 HG LEU 542 HG LEU 542 -6.478 -3.253 6.063 301 HD11 LEU 542 HD11 LEU 542 -9.143 -3.769 7.369 302 HD12 LEU 542 HD12 LEU 542 -8.861 -2.824 5.912 303 HD13 LEU 542 HD13 LEU 542 -8.236 -2.261 7.460 304 HD21 LEU 542 HD21 LEU 542 -6.312 -3.377 8.507 305 HD22 LEU 542 HD22 LEU 542 -5.551 -4.764 7.730 306 HD23 LEU 542 HD23 LEU 542 -7.136 -4.935 8.477 307 HA PRO 543 HA PRO 543 -8.171 -9.508 4.504 308 HB2 PRO 543 HB2 PRO 543 -7.685 -9.325 1.574 309 HB3 PRO 543 HB1 PRO 543 -9.148 -9.798 2.450 310 HG2 PRO 543 HG2 PRO 543 -9.038 -7.416 1.317 311 HG3 PRO 543 HG3 PRO 543 -9.715 -7.576 2.955 312 HD2 PRO 543 HD2 PRO 543 -6.957 -6.688 2.130 313 HD3 PRO 543 HD3 PRO 543 -8.069 -5.942 3.295 314 H PHE 544 HN PHE 544 -5.105 -8.587 2.953 315 HA PHE 544 HA PHE 544 -4.275 -11.391 3.063 316 HB2 PHE 544 HB2 PHE 544 -2.853 -8.983 1.924 317 HB3 PHE 544 HB3 PHE 544 -2.269 -10.639 1.843 318 HD1 PHE 544 HD1 PHE 544 -3.784 -12.336 0.627 319 HD2 PHE 544 HD2 PHE 544 -4.161 -8.115 0.250 320 HE1 PHE 544 HE1 PHE 544 -4.997 -12.637 -1.493 321 HE2 PHE 544 HE2 PHE 544 -5.377 -8.407 -1.865 322 HZ PHE 544 HZ PHE 544 -5.797 -10.671 -2.743 323 H GLY 545 HN GLY 545 -4.080 -8.530 4.899 324 HA2 GLY 545 HA2 GLY 545 -2.642 -9.711 6.991 325 HA3 GLY 545 HA3 GLY 545 -1.511 -8.773 6.027 326 H LYS 546 HN LYS 546 -2.324 -8.350 8.778 327 HA LYS 546 HA LYS 546 -4.193 -6.263 9.001 328 HB2 LYS 546 HB2 LYS 546 -3.491 -7.636 10.900 329 HB3 LYS 546 HB3 LYS 546 -1.867 -6.979 10.795 330 HG2 LYS 546 HG2 LYS 546 -2.760 -4.746 11.335 331 HG3 LYS 546 HG3 LYS 546 -4.366 -5.455 11.507 332 HD2 LYS 546 HD2 LYS 546 -3.543 -6.894 13.304 333 HD3 LYS 546 HD3 LYS 546 -1.931 -6.204 13.125 334 HE2 LYS 546 HE2 LYS 546 -3.016 -5.165 14.998 335 HE3 LYS 546 HE3 LYS 546 -2.869 -3.982 13.699 336 HZ1 LYS 546 HZ1 LYS 546 -5.165 -4.286 13.152 337 HZ2 LYS 546 HZ2 LYS 546 -5.053 -3.966 14.808 338 HZ3 LYS 546 HZ3 LYS 546 -5.326 -5.546 14.269 339 H VAL 547 HN VAL 547 -4.077 -4.228 8.421 340 HA VAL 547 HA VAL 547 -1.586 -3.023 7.595 341 HB VAL 547 HB VAL 547 -4.431 -1.994 7.622 342 HG11 VAL 547 HG11 VAL 547 -2.765 -0.161 7.823 343 HG12 VAL 547 HG12 VAL 547 -3.704 -0.110 6.333 344 HG13 VAL 547 HG13 VAL 547 -2.041 -0.706 6.310 345 HG21 VAL 547 HG21 VAL 547 -4.137 -2.206 5.134 346 HG22 VAL 547 HG22 VAL 547 -4.211 -3.719 6.029 347 HG23 VAL 547 HG23 VAL 547 -2.658 -3.104 5.466 348 H THR 548 HN THR 548 -0.295 -2.165 9.095 349 HA THR 548 HA THR 548 -1.455 -1.052 11.513 350 HB THR 548 HB THR 548 0.983 -0.763 12.167 351 HG1 THR 548 HG1 THR 548 2.265 -0.925 10.466 352 HG21 THR 548 HG21 THR 548 1.304 -3.156 12.615 353 HG22 THR 548 HG22 THR 548 0.019 -3.538 11.469 354 HG23 THR 548 HG23 THR 548 -0.353 -2.653 12.948 355 H ASN 549 HN ASN 549 0.307 0.000 8.672 356 HA ASN 549 HA ASN 549 -0.511 2.750 9.245 357 HB2 ASN 549 HB2 ASN 549 2.344 1.904 8.766 358 HB3 ASN 549 HB3 ASN 549 1.799 3.537 8.435 359 HD21 ASN 549 HD21 ASN 549 3.810 2.782 10.244 360 HD22 ASN 549 HD22 ASN 549 3.290 3.293 11.809 361 H TYR 550 HN TYR 550 -0.286 4.166 7.377 362 HA TYR 550 HA TYR 550 0.148 3.049 4.772 363 HB2 TYR 550 HB2 TYR 550 -2.172 3.479 3.975 364 HB3 TYR 550 HB3 TYR 550 -2.095 2.181 5.162 365 HD1 TYR 550 HD1 TYR 550 -3.819 5.048 4.210 366 HD2 TYR 550 HD2 TYR 550 -2.459 3.013 7.682 367 HE1 TYR 550 HE1 TYR 550 -5.489 6.228 5.567 368 HE2 TYR 550 HE2 TYR 550 -4.140 4.179 9.037 369 HH TYR 550 HH TYR 550 -5.610 5.917 9.053 370 H ILE 551 HN ILE 551 0.082 4.726 3.116 371 HA ILE 551 HA ILE 551 -0.080 7.476 4.117 372 HB ILE 551 HB ILE 551 2.293 6.431 2.560 373 HG12 ILE 551 HG12 ILE 551 2.196 7.205 5.486 374 HG13 ILE 551 HG13 ILE 551 2.284 5.553 4.888 375 HG21 ILE 551 HG21 ILE 551 3.285 8.617 3.073 376 HG22 ILE 551 HG22 ILE 551 1.783 9.098 3.862 377 HG23 ILE 551 HG23 ILE 551 1.800 8.758 2.131 378 HD11 ILE 551 HD11 ILE 551 4.451 6.356 5.633 379 HD12 ILE 551 HD12 ILE 551 4.364 7.687 4.479 380 HD13 ILE 551 HD13 ILE 551 4.458 6.024 3.901 381 H LEU 552 HN LEU 552 -1.156 8.691 2.571 382 HA LEU 552 HA LEU 552 -1.417 7.401 -0.054 383 HB2 LEU 552 HB2 LEU 552 -3.377 9.115 1.452 384 HB3 LEU 552 HB1 LEU 552 -3.532 8.761 -0.259 385 HG LEU 552 HG LEU 552 -3.744 6.878 2.066 386 HD11 LEU 552 HD11 LEU 552 -5.934 6.499 1.133 387 HD12 LEU 552 HD12 LEU 552 -5.569 7.561 -0.219 388 HD13 LEU 552 HD13 LEU 552 -5.685 8.220 1.411 389 HD21 LEU 552 HD21 LEU 552 -2.395 5.760 0.369 390 HD22 LEU 552 HD22 LEU 552 -3.585 6.176 -0.866 391 HD23 LEU 552 HD23 LEU 552 -4.015 5.071 0.441 392 H MET 553 HN MET 553 -0.515 8.450 -1.718 393 HA MET 553 HA MET 553 0.027 11.322 -1.306 394 HB2 MET 553 HB2 MET 553 1.541 9.339 -3.017 395 HB3 MET 553 HB3 MET 553 1.852 11.067 -2.977 396 HG2 MET 553 HG2 MET 553 2.482 10.920 -0.640 397 HG3 MET 553 HG3 MET 553 2.123 9.192 -0.641 398 HE1 MET 553 HE1 MET 553 3.170 8.135 -3.325 399 HE2 MET 553 HE2 MET 553 3.603 7.358 -1.803 400 HE3 MET 553 HE3 MET 553 4.853 7.739 -2.988 401 H LYS 554 HN LYS 554 -2.216 11.507 -2.041 402 HA LYS 554 HA LYS 554 -3.193 11.104 -4.492 403 HB2 LYS 554 HB2 LYS 554 -3.480 13.854 -3.350 404 HB3 LYS 554 HB3 LYS 554 -4.692 12.830 -4.105 405 HG2 LYS 554 HG2 LYS 554 -3.528 12.521 -1.344 406 HG3 LYS 554 HG3 LYS 554 -5.162 13.030 -1.762 407 HD2 LYS 554 HD2 LYS 554 -5.536 10.806 -2.793 408 HD3 LYS 554 HD3 LYS 554 -3.938 10.302 -2.224 409 HE2 LYS 554 HE2 LYS 554 -5.575 9.515 -0.667 410 HE3 LYS 554 HE3 LYS 554 -4.674 10.823 0.093 411 HZ1 LYS 554 HZ1 LYS 554 -6.491 12.317 -0.333 412 HZ2 LYS 554 HZ2 LYS 554 -7.082 10.959 0.479 413 HZ3 LYS 554 HZ3 LYS 554 -7.340 11.125 -1.181 414 H SER 555 HN SER 555 -0.503 13.192 -3.788 415 HA SER 555 HA SER 555 -0.833 14.931 -6.016 416 HB2 SER 555 HB2 SER 555 1.458 15.681 -5.365 417 HB3 SER 555 HB3 SER 555 0.299 15.707 -4.034 418 HG SER 555 HG SER 555 2.503 14.695 -3.730 419 H THR 556 HN THR 556 1.123 12.030 -5.364 420 HA THR 556 HA THR 556 2.198 12.170 -8.077 421 HB THR 556 HB THR 556 3.726 10.351 -7.288 422 HG1 THR 556 HG1 THR 556 3.649 10.502 -4.744 423 HG21 THR 556 HG21 THR 556 3.706 12.890 -5.656 424 HG22 THR 556 HG22 THR 556 4.454 12.673 -7.239 425 HG23 THR 556 HG23 THR 556 5.082 11.802 -5.840 426 H ASN 557 HN ASN 557 -0.480 10.919 -6.782 427 HA ASN 557 HA ASN 557 -1.894 9.190 -7.196 428 HB2 ASN 557 HB2 ASN 557 -0.232 9.070 -9.721 429 HB3 ASN 557 HB3 ASN 557 -1.634 8.042 -9.452 430 HD21 ASN 557 HD21 ASN 557 -2.756 8.906 -11.172 431 HD22 ASN 557 HD22 ASN 557 -3.422 10.500 -11.146 432 H GLN 558 HN GLN 558 0.224 8.692 -5.513 433 HA GLN 558 HA GLN 558 0.655 5.813 -5.881 434 HB2 GLN 558 HB2 GLN 558 2.843 7.782 -5.178 435 HB3 GLN 558 HB3 GLN 558 3.016 6.033 -5.211 436 HG2 GLN 558 HG2 GLN 558 2.706 5.980 -7.573 437 HG3 GLN 558 HG3 GLN 558 2.262 7.687 -7.601 438 HE21 GLN 558 HE21 GLN 558 3.870 8.244 -9.020 439 HE22 GLN 558 HE22 GLN 558 5.542 8.269 -8.580 440 H ALA 559 HN ALA 559 1.446 4.797 -3.753 441 HA ALA 559 HA ALA 559 0.922 6.352 -1.384 442 HB1 ALA 559 HB1 ALA 559 -0.939 4.913 -0.635 443 HB2 ALA 559 HB2 ALA 559 -0.966 4.171 -2.243 444 HB3 ALA 559 HB3 ALA 559 -1.333 5.890 -2.055 445 H PHE 560 HN PHE 560 1.143 5.042 0.582 446 HA PHE 560 HA PHE 560 2.878 2.669 0.189 447 HB2 PHE 560 HB2 PHE 560 2.978 4.737 2.388 448 HB3 PHE 560 HB3 PHE 560 3.861 3.224 2.435 449 HD1 PHE 560 HD1 PHE 560 5.751 2.833 0.948 450 HD2 PHE 560 HD2 PHE 560 3.698 6.563 1.012 451 HE1 PHE 560 HE1 PHE 560 7.649 3.896 -0.200 452 HE2 PHE 560 HE2 PHE 560 5.592 7.628 -0.142 453 HZ PHE 560 HZ PHE 560 7.570 6.296 -0.746 454 H LEU 561 HN LEU 561 2.665 0.939 1.619 455 HA LEU 561 HA LEU 561 0.339 0.970 3.410 456 HB2 LEU 561 HB2 LEU 561 -0.324 0.013 1.232 457 HB3 LEU 561 HB1 LEU 561 0.963 -1.164 1.364 458 HG LEU 561 HG LEU 561 -0.148 -2.157 3.325 459 HD11 LEU 561 HD11 LEU 561 -2.450 -1.485 3.866 460 HD12 LEU 561 HD12 LEU 561 -2.314 -0.141 2.733 461 HD13 LEU 561 HD13 LEU 561 -1.295 -0.188 4.171 462 HD21 LEU 561 HD21 LEU 561 -2.045 -1.907 0.994 463 HD22 LEU 561 HD22 LEU 561 -1.884 -3.261 2.113 464 HD23 LEU 561 HD23 LEU 561 -0.590 -2.903 0.970 465 H GLU 562 HN GLU 562 1.024 0.417 5.355 466 HA GLU 562 HA GLU 562 3.390 -1.298 5.621 467 HB2 GLU 562 HB2 GLU 562 3.258 0.902 6.849 468 HB3 GLU 562 HB3 GLU 562 1.966 0.205 7.813 469 HG2 GLU 562 HG2 GLU 562 3.515 -1.566 8.550 470 HG3 GLU 562 HG3 GLU 562 4.806 -0.770 7.654 471 H MET 563 HN MET 563 3.286 -3.303 6.286 472 HA MET 563 HA MET 563 0.682 -4.353 7.175 473 HB2 MET 563 HB2 MET 563 2.841 -5.813 5.639 474 HB3 MET 563 HB3 MET 563 1.208 -6.381 5.977 475 HG2 MET 563 HG2 MET 563 0.245 -4.853 4.489 476 HG3 MET 563 HG3 MET 563 1.713 -3.885 4.407 477 HE1 MET 563 HE1 MET 563 1.759 -3.768 1.774 478 HE2 MET 563 HE2 MET 563 0.194 -4.580 1.809 479 HE3 MET 563 HE3 MET 563 1.469 -5.175 0.749 480 H ALA 564 HN ALA 564 0.758 -6.089 8.710 481 HA ALA 564 HA ALA 564 2.683 -5.491 10.752 482 HB1 ALA 564 HB1 ALA 564 1.364 -6.957 12.161 483 HB2 ALA 564 HB2 ALA 564 0.479 -7.545 10.752 484 HB3 ALA 564 HB3 ALA 564 0.314 -5.864 11.259 485 H TYR 565 HN TYR 565 2.538 -7.779 8.260 486 HA TYR 565 HA TYR 565 4.819 -9.203 9.384 487 HB2 TYR 565 HB2 TYR 565 2.260 -10.509 8.455 488 HB3 TYR 565 HB3 TYR 565 3.785 -11.375 8.549 489 HD1 TYR 565 HD1 TYR 565 1.107 -9.795 10.499 490 HD2 TYR 565 HD2 TYR 565 4.733 -12.006 10.670 491 HE1 TYR 565 HE1 TYR 565 0.680 -10.297 12.865 492 HE2 TYR 565 HE2 TYR 565 4.318 -12.515 13.038 493 HH TYR 565 HH TYR 565 1.292 -11.855 14.560 494 H THR 566 HN THR 566 6.207 -10.022 7.864 495 HA THR 566 HA THR 566 6.223 -8.654 5.364 496 HB THR 566 HB THR 566 8.282 -9.359 6.705 497 HG1 THR 566 HG1 THR 566 9.285 -8.905 4.915 498 HG21 THR 566 HG21 THR 566 9.258 -11.534 6.123 499 HG22 THR 566 HG22 THR 566 7.771 -11.967 5.278 500 HG23 THR 566 HG23 THR 566 7.752 -11.710 7.022 501 H GLU 567 HN GLU 567 5.176 -11.775 6.425 502 HA GLU 567 HA GLU 567 4.952 -13.164 4.023 503 HB2 GLU 567 HB2 GLU 567 3.234 -14.485 5.132 504 HB3 GLU 567 HB3 GLU 567 4.552 -14.155 6.248 505 HG2 GLU 567 HG2 GLU 567 3.092 -12.174 7.033 506 HG3 GLU 567 HG3 GLU 567 1.788 -13.022 6.208 507 H ALA 568 HN ALA 568 3.054 -10.558 5.333 508 HA ALA 568 HA ALA 568 0.793 -10.931 3.612 509 HB1 ALA 568 HB1 ALA 568 0.586 -9.815 5.788 510 HB2 ALA 568 HB2 ALA 568 0.044 -8.779 4.468 511 HB3 ALA 568 HB3 ALA 568 1.620 -8.508 5.210 512 H ALA 569 HN ALA 569 3.669 -8.884 3.645 513 HA ALA 569 HA ALA 569 2.938 -7.208 1.518 514 HB1 ALA 569 HB1 ALA 569 5.312 -6.596 1.457 515 HB2 ALA 569 HB2 ALA 569 5.681 -7.951 2.523 516 HB3 ALA 569 HB3 ALA 569 4.683 -6.619 3.104 517 H GLN 570 HN GLN 570 4.912 -10.159 1.610 518 HA GLN 570 HA GLN 570 5.456 -10.060 -1.184 519 HB2 GLN 570 HB2 GLN 570 6.257 -12.418 -0.885 520 HB3 GLN 570 HB3 GLN 570 7.043 -11.223 0.131 521 HG2 GLN 570 HG2 GLN 570 5.618 -11.922 2.010 522 HG3 GLN 570 HG3 GLN 570 4.905 -13.164 0.977 523 HE21 GLN 570 HE21 GLN 570 6.507 -13.353 3.455 524 HE22 GLN 570 HE22 GLN 570 7.837 -14.380 3.068 525 H ALA 571 HN ALA 571 2.989 -11.620 0.790 526 HA ALA 571 HA ALA 571 1.904 -13.272 -1.207 527 HB1 ALA 571 HB1 ALA 571 -0.088 -13.363 0.188 528 HB2 ALA 571 HB2 ALA 571 0.489 -11.982 1.121 529 HB3 ALA 571 HB3 ALA 571 1.368 -13.509 1.172 530 H MET 572 HN MET 572 1.145 -9.925 -0.260 531 HA MET 572 HA MET 572 -0.972 -9.603 -2.108 532 HB2 MET 572 HB2 MET 572 0.832 -7.433 -1.023 533 HB3 MET 572 HB3 MET 572 -0.764 -7.215 -1.727 534 HG2 MET 572 HG2 MET 572 -1.635 -8.680 0.140 535 HG3 MET 572 HG3 MET 572 -0.047 -8.495 0.883 536 HE1 MET 572 HE1 MET 572 -0.306 -7.284 2.955 537 HE2 MET 572 HE2 MET 572 -2.030 -7.638 2.885 538 HE3 MET 572 HE3 MET 572 -1.483 -6.010 3.271 539 H VAL 573 HN VAL 573 2.500 -8.853 -2.299 540 HA VAL 573 HA VAL 573 2.485 -7.730 -4.861 541 HB VAL 573 HB VAL 573 4.669 -9.354 -3.533 542 HG11 VAL 573 HG11 VAL 573 5.019 -9.254 -5.940 543 HG12 VAL 573 HG12 VAL 573 6.196 -8.242 -5.102 544 HG13 VAL 573 HG13 VAL 573 4.816 -7.502 -5.911 545 HG21 VAL 573 HG21 VAL 573 4.200 -6.380 -3.673 546 HG22 VAL 573 HG22 VAL 573 5.638 -7.150 -3.004 547 HG23 VAL 573 HG23 VAL 573 4.067 -7.398 -2.240 548 H GLN 574 HN GLN 574 2.903 -11.110 -3.828 549 HA GLN 574 HA GLN 574 3.265 -12.198 -6.391 550 HB2 GLN 574 HB2 GLN 574 2.169 -13.413 -3.856 551 HB3 GLN 574 HB3 GLN 574 2.449 -14.342 -5.320 552 HG2 GLN 574 HG2 GLN 574 4.489 -12.932 -3.625 553 HG3 GLN 574 HG3 GLN 574 4.308 -14.668 -3.884 554 HE21 GLN 574 HE21 GLN 574 5.535 -11.703 -5.139 555 HE22 GLN 574 HE22 GLN 574 6.356 -12.367 -6.495 556 H TYR 575 HN TYR 575 0.359 -11.534 -4.527 557 HA TYR 575 HA TYR 575 -1.412 -12.868 -6.314 558 HB2 TYR 575 HB2 TYR 575 -2.134 -12.502 -4.048 559 HB3 TYR 575 HB3 TYR 575 -1.932 -10.759 -4.210 560 HD1 TYR 575 HD1 TYR 575 -3.734 -9.428 -4.918 561 HD2 TYR 575 HD2 TYR 575 -3.886 -13.636 -5.519 562 HE1 TYR 575 HE1 TYR 575 -6.083 -9.239 -5.621 563 HE2 TYR 575 HE2 TYR 575 -6.232 -13.456 -6.224 564 HH TYR 575 HH TYR 575 -8.135 -11.920 -5.906 565 H TYR 576 HN TYR 576 -0.691 -9.401 -5.819 566 HA TYR 576 HA TYR 576 -2.329 -8.625 -8.002 567 HB2 TYR 576 HB2 TYR 576 -0.280 -7.057 -6.443 568 HB3 TYR 576 HB3 TYR 576 -1.332 -6.356 -7.672 569 HD1 TYR 576 HD1 TYR 576 -3.908 -7.077 -7.307 570 HD2 TYR 576 HD2 TYR 576 -0.976 -6.808 -4.258 571 HE1 TYR 576 HE1 TYR 576 -5.689 -6.711 -5.651 572 HE2 TYR 576 HE2 TYR 576 -2.738 -6.453 -2.583 573 HH TYR 576 HH TYR 576 -6.093 -6.835 -3.327 574 H GLN 577 HN GLN 577 0.877 -9.799 -7.944 575 HA GLN 577 HA GLN 577 1.681 -8.700 -10.451 576 HB2 GLN 577 HB2 GLN 577 2.504 -11.199 -8.984 577 HB3 GLN 577 HB3 GLN 577 3.135 -10.807 -10.575 578 HG2 GLN 577 HG2 GLN 577 4.061 -8.731 -9.709 579 HG3 GLN 577 HG3 GLN 577 3.403 -9.097 -8.114 580 HE21 GLN 577 HE21 GLN 577 6.166 -8.693 -8.957 581 HE22 GLN 577 HE22 GLN 577 7.015 -10.131 -8.511 582 H GLU 578 HN GLU 578 -0.083 -11.585 -9.476 583 HA GLU 578 HA GLU 578 -0.473 -12.426 -12.221 584 HB2 GLU 578 HB2 GLU 578 -1.515 -13.523 -9.607 585 HB3 GLU 578 HB3 GLU 578 -1.811 -14.255 -11.178 586 HG2 GLU 578 HG2 GLU 578 0.887 -13.847 -9.910 587 HG3 GLU 578 HG3 GLU 578 -0.002 -15.369 -9.985 588 H LYS 579 HN LYS 579 -2.427 -11.074 -9.585 589 HA LYS 579 HA LYS 579 -4.360 -10.181 -11.603 590 HB2 LYS 579 HB2 LYS 579 -4.952 -11.389 -8.900 591 HB3 LYS 579 HB3 LYS 579 -6.128 -10.482 -9.836 592 HG2 LYS 579 HG2 LYS 579 -5.874 -12.142 -11.660 593 HG3 LYS 579 HG3 LYS 579 -4.827 -13.083 -10.593 594 HD2 LYS 579 HD2 LYS 579 -7.124 -13.923 -10.547 595 HD3 LYS 579 HD3 LYS 579 -6.643 -13.283 -8.975 596 HE2 LYS 579 HE2 LYS 579 -8.924 -12.605 -9.600 597 HE3 LYS 579 HE3 LYS 579 -7.852 -11.223 -9.405 598 HZ1 LYS 579 HZ1 LYS 579 -8.596 -12.450 -12.002 599 HZ2 LYS 579 HZ2 LYS 579 -7.633 -11.078 -11.788 600 HZ3 LYS 579 HZ3 LYS 579 -9.268 -11.035 -11.363 601 HA PRO 580 HA PRO 580 -2.876 -6.541 -9.215 602 HB2 PRO 580 HB2 PRO 580 -3.454 -4.785 -11.232 603 HB3 PRO 580 HB1 PRO 580 -1.915 -5.639 -11.085 604 HG2 PRO 580 HG2 PRO 580 -4.277 -6.273 -12.806 605 HG3 PRO 580 HG3 PRO 580 -2.550 -6.348 -13.200 606 HD2 PRO 580 HD2 PRO 580 -3.981 -8.550 -12.602 607 HD3 PRO 580 HD3 PRO 580 -2.271 -8.389 -12.152 608 H ALA 581 HN ALA 581 -4.069 -4.680 -8.460 609 HA ALA 581 HA ALA 581 -6.944 -5.197 -8.390 610 HB1 ALA 581 HB1 ALA 581 -6.994 -3.519 -6.608 611 HB2 ALA 581 HB2 ALA 581 -5.282 -3.184 -6.871 612 HB3 ALA 581 HB3 ALA 581 -5.791 -4.764 -6.274 613 H ILE 582 HN ILE 582 -8.420 -3.954 -9.421 614 HA ILE 582 HA ILE 582 -7.294 -1.921 -11.212 615 HB ILE 582 HB ILE 582 -9.930 -3.379 -11.455 616 HG12 ILE 582 HG12 ILE 582 -7.305 -3.913 -12.868 617 HG13 ILE 582 HG13 ILE 582 -7.986 -4.912 -11.590 618 HG21 ILE 582 HG21 ILE 582 -9.889 -2.579 -13.763 619 HG22 ILE 582 HG22 ILE 582 -8.380 -1.724 -13.441 620 HG23 ILE 582 HG23 ILE 582 -9.862 -1.235 -12.619 621 HD11 ILE 582 HD11 ILE 582 -9.193 -4.430 -14.302 622 HD12 ILE 582 HD12 ILE 582 -9.909 -5.406 -13.020 623 HD13 ILE 582 HD13 ILE 582 -8.385 -5.900 -13.757 624 H ILE 583 HN ILE 583 -7.691 0.141 -10.802 625 HA ILE 583 HA ILE 583 -10.264 0.880 -9.569 626 HB ILE 583 HB ILE 583 -7.570 2.134 -8.994 627 HG12 ILE 583 HG12 ILE 583 -8.118 0.046 -7.726 628 HG13 ILE 583 HG13 ILE 583 -7.926 1.465 -6.702 629 HG21 ILE 583 HG21 ILE 583 -10.301 2.999 -8.058 630 HG22 ILE 583 HG22 ILE 583 -9.320 3.822 -9.269 631 HG23 ILE 583 HG23 ILE 583 -8.761 3.727 -7.597 632 HD11 ILE 583 HD11 ILE 583 -10.522 0.201 -7.546 633 HD12 ILE 583 HD12 ILE 583 -10.375 1.679 -6.595 634 HD13 ILE 583 HD13 ILE 583 -9.786 0.148 -5.943 635 H ASN 584 HN ASN 584 -11.392 1.910 -11.078 636 HA ASN 584 HA ASN 584 -11.990 3.241 -12.809 637 HB2 ASN 584 HB2 ASN 584 -9.536 4.811 -11.998 638 HB3 ASN 584 HB3 ASN 584 -10.735 5.363 -13.158 639 HD21 ASN 584 HD21 ASN 584 -9.967 6.657 -10.774 640 HD22 ASN 584 HD22 ASN 584 -11.356 6.751 -9.747 641 H GLY 585 HN GLY 585 -10.347 0.963 -13.292 642 HA2 GLY 585 HA2 GLY 585 -9.722 -0.001 -15.291 643 HA3 GLY 585 HA3 GLY 585 -9.674 1.590 -16.028 644 H GLU 586 HN GLU 586 -7.882 1.718 -13.216 645 HA GLU 586 HA GLU 586 -5.421 1.183 -14.731 646 HB2 GLU 586 HB2 GLU 586 -5.867 2.953 -12.321 647 HB3 GLU 586 HB3 GLU 586 -4.295 2.631 -13.042 648 HG2 GLU 586 HG2 GLU 586 -5.189 3.572 -15.182 649 HG3 GLU 586 HG3 GLU 586 -6.623 4.067 -14.284 650 H LYS 587 HN LYS 587 -4.267 -0.507 -14.216 651 HA LYS 587 HA LYS 587 -4.874 -2.169 -11.985 652 HB2 LYS 587 HB2 LYS 587 -2.500 -2.255 -13.845 653 HB3 LYS 587 HB3 LYS 587 -3.043 -3.558 -12.799 654 HG2 LYS 587 HG2 LYS 587 -5.119 -3.726 -14.065 655 HG3 LYS 587 HG3 LYS 587 -4.595 -2.404 -15.108 656 HD2 LYS 587 HD2 LYS 587 -2.688 -3.734 -15.849 657 HD3 LYS 587 HD3 LYS 587 -3.182 -5.050 -14.785 658 HE2 LYS 587 HE2 LYS 587 -3.921 -5.593 -16.981 659 HE3 LYS 587 HE3 LYS 587 -5.341 -5.142 -16.039 660 HZ1 LYS 587 HZ1 LYS 587 -3.912 -3.386 -17.965 661 HZ2 LYS 587 HZ2 LYS 587 -5.268 -2.946 -17.058 662 HZ3 LYS 587 HZ3 LYS 587 -5.394 -4.152 -18.235 663 H LEU 588 HN LEU 588 -4.160 -1.983 -9.982 664 HA LEU 588 HA LEU 588 -2.135 -0.063 -9.303 665 HB2 LEU 588 HB2 LEU 588 -3.554 -2.036 -7.525 666 HB3 LEU 588 HB1 LEU 588 -2.700 -0.591 -7.016 667 HG LEU 588 HG LEU 588 -5.276 -0.697 -8.583 668 HD11 LEU 588 HD11 LEU 588 -4.627 0.136 -5.766 669 HD12 LEU 588 HD12 LEU 588 -5.639 -1.213 -6.284 670 HD13 LEU 588 HD13 LEU 588 -6.167 0.443 -6.566 671 HD21 LEU 588 HD21 LEU 588 -5.278 1.746 -8.362 672 HD22 LEU 588 HD22 LEU 588 -3.937 1.162 -9.345 673 HD23 LEU 588 HD23 LEU 588 -3.652 1.674 -7.682 674 H LEU 589 HN LEU 589 -0.125 -0.434 -8.596 675 HA LEU 589 HA LEU 589 0.836 -3.218 -8.736 676 HB2 LEU 589 HB2 LEU 589 1.740 -1.781 -10.506 677 HB3 LEU 589 HB1 LEU 589 2.349 -0.665 -9.298 678 HG LEU 589 HG LEU 589 3.837 -2.478 -8.450 679 HD11 LEU 589 HD11 LEU 589 4.206 -4.421 -9.927 680 HD12 LEU 589 HD12 LEU 589 2.797 -3.935 -10.871 681 HD13 LEU 589 HD13 LEU 589 2.606 -4.412 -9.184 682 HD21 LEU 589 HD21 LEU 589 4.671 -0.795 -9.998 683 HD22 LEU 589 HD22 LEU 589 4.137 -1.772 -11.366 684 HD23 LEU 589 HD23 LEU 589 5.420 -2.362 -10.309 685 H ILE 590 HN ILE 590 1.112 -3.995 -6.755 686 HA ILE 590 HA ILE 590 2.179 -2.240 -4.654 687 HB ILE 590 HB ILE 590 0.894 -4.970 -4.399 688 HG12 ILE 590 HG12 ILE 590 -0.182 -2.187 -3.935 689 HG13 ILE 590 HG13 ILE 590 -0.793 -3.396 -5.053 690 HG21 ILE 590 HG21 ILE 590 0.856 -4.492 -1.989 691 HG22 ILE 590 HG22 ILE 590 1.753 -3.001 -2.282 692 HG23 ILE 590 HG23 ILE 590 2.498 -4.560 -2.629 693 HD11 ILE 590 HD11 ILE 590 -0.917 -3.504 -2.043 694 HD12 ILE 590 HD12 ILE 590 -1.458 -4.787 -3.129 695 HD13 ILE 590 HD13 ILE 590 -2.258 -3.215 -3.154 696 H ARG 591 HN ARG 591 4.313 -2.388 -4.255 697 HA ARG 591 HA ARG 591 5.602 -4.995 -4.289 698 HB2 ARG 591 HB2 ARG 591 6.519 -2.686 -6.008 699 HB3 ARG 591 HB3 ARG 591 7.562 -4.035 -5.581 700 HG2 ARG 591 HG2 ARG 591 5.714 -5.513 -6.580 701 HG3 ARG 591 HG3 ARG 591 5.121 -4.022 -7.310 702 HD2 ARG 591 HD2 ARG 591 7.925 -5.072 -7.627 703 HD3 ARG 591 HD3 ARG 591 6.622 -5.368 -8.773 704 HE ARG 591 HE ARG 591 7.123 -2.580 -8.224 705 HH11 ARG 591 HH11 ARG 591 7.944 -5.344 -10.193 706 HH12 ARG 591 HH12 ARG 591 8.473 -4.398 -11.547 707 HH21 ARG 591 HH21 ARG 591 7.871 -1.307 -10.009 708 HH22 ARG 591 HH22 ARG 591 8.461 -2.109 -11.431 709 H MET 592 HN MET 592 7.928 -4.759 -3.471 710 HA MET 592 HA MET 592 7.705 -3.310 -0.965 711 HB2 MET 592 HB2 MET 592 9.808 -5.224 -1.988 712 HB3 MET 592 HB3 MET 592 9.847 -4.474 -0.400 713 HG2 MET 592 HG2 MET 592 7.694 -5.567 0.124 714 HG3 MET 592 HG3 MET 592 7.770 -6.387 -1.436 715 HE1 MET 592 HE1 MET 592 7.543 -8.754 -0.253 716 HE2 MET 592 HE2 MET 592 7.431 -7.943 1.309 717 HE3 MET 592 HE3 MET 592 8.564 -9.276 1.085 718 H SER 593 HN SER 593 8.726 -1.453 -0.501 719 HA SER 593 HA SER 593 9.960 -0.007 -2.602 720 HB2 SER 593 HB2 SER 593 9.873 0.633 0.349 721 HB3 SER 593 HB3 SER 593 10.243 1.764 -0.954 722 HG SER 593 HG SER 593 8.076 1.945 -0.371 723 H THR 594 HN THR 594 11.985 0.458 -3.011 724 HA THR 594 HA THR 594 14.016 -1.257 -1.815 725 HB THR 594 HB THR 594 15.443 -0.378 -3.718 726 HG1 THR 594 HG1 THR 594 14.624 1.129 -4.955 727 HG21 THR 594 HG21 THR 594 14.322 -2.546 -3.842 728 HG22 THR 594 HG22 THR 594 14.301 -1.747 -5.413 729 HG23 THR 594 HG23 THR 594 12.849 -1.762 -4.413 730 H ARG 595 HN ARG 595 12.901 1.838 -1.292 731 HA ARG 595 HA ARG 595 15.577 2.968 -0.853 732 HB2 ARG 595 HB2 ARG 595 12.928 4.395 -1.053 733 HB3 ARG 595 HB3 ARG 595 14.503 5.160 -0.895 734 HG2 ARG 595 HG2 ARG 595 15.164 4.231 -3.059 735 HG3 ARG 595 HG3 ARG 595 13.573 3.480 -3.210 736 HD2 ARG 595 HD2 ARG 595 12.556 5.738 -3.048 737 HD3 ARG 595 HD3 ARG 595 14.178 6.427 -3.057 738 HE ARG 595 HE ARG 595 13.871 4.751 -5.293 739 HH11 ARG 595 HH11 ARG 595 12.804 7.832 -4.041 740 HH12 ARG 595 HH12 ARG 595 12.484 8.508 -5.604 741 HH21 ARG 595 HH21 ARG 595 13.451 5.625 -7.367 742 HH22 ARG 595 HH22 ARG 595 12.858 7.251 -7.505 743 H TYR 596 HN TYR 596 12.644 2.086 0.806 744 HA TYR 596 HA TYR 596 13.747 3.245 3.278 745 HB2 TYR 596 HB2 TYR 596 10.892 3.252 2.317 746 HB3 TYR 596 HB3 TYR 596 11.334 3.568 3.991 747 HD1 TYR 596 HD1 TYR 596 11.081 4.942 0.664 748 HD2 TYR 596 HD2 TYR 596 12.773 5.538 4.520 749 HE1 TYR 596 HE1 TYR 596 11.461 7.311 0.125 750 HE2 TYR 596 HE2 TYR 596 13.158 7.906 3.993 751 HH TYR 596 HH TYR 596 11.784 9.421 1.239 752 H LYS 597 HN LYS 597 13.500 2.147 5.171 753 HA LYS 597 HA LYS 597 12.553 -0.623 4.932 754 HB2 LYS 597 HB2 LYS 597 14.615 0.603 6.749 755 HB3 LYS 597 HB3 LYS 597 13.986 -1.027 6.962 756 HG2 LYS 597 HG2 LYS 597 14.870 -1.716 4.850 757 HG3 LYS 597 HG3 LYS 597 15.328 -0.060 4.447 758 HD2 LYS 597 HD2 LYS 597 16.440 -1.626 6.772 759 HD3 LYS 597 HD3 LYS 597 17.231 -1.466 5.201 760 HE2 LYS 597 HE2 LYS 597 17.352 0.940 5.475 761 HE3 LYS 597 HE3 LYS 597 16.481 0.833 7.002 762 HZ1 LYS 597 HZ1 LYS 597 19.148 -0.350 6.456 763 HZ2 LYS 597 HZ2 LYS 597 18.312 -0.440 7.922 764 HZ3 LYS 597 HZ3 LYS 597 18.859 1.054 7.351 765 H GLU 598 HN GLU 598 11.674 2.357 6.272 766 HA GLU 598 HA GLU 598 9.734 0.956 7.947 767 HB2 GLU 598 HB2 GLU 598 11.466 1.588 9.520 768 HB3 GLU 598 HB3 GLU 598 11.486 3.231 8.898 769 HG2 GLU 598 HG2 GLU 598 9.142 3.491 9.673 770 HG3 GLU 598 HG3 GLU 598 9.257 1.896 10.415 771 H LEU 599 HN LEU 599 7.802 1.988 8.150 772 HA LEU 599 HA LEU 599 7.432 4.427 6.556 773 HB2 LEU 599 HB2 LEU 599 5.468 2.300 7.388 774 HB3 LEU 599 HB1 LEU 599 4.980 3.818 6.658 775 HG LEU 599 HG LEU 599 6.657 1.656 5.396 776 HD11 LEU 599 HD11 LEU 599 4.365 1.089 5.293 777 HD12 LEU 599 HD12 LEU 599 4.808 1.726 3.710 778 HD13 LEU 599 HD13 LEU 599 3.909 2.732 4.846 779 HD21 LEU 599 HD21 LEU 599 7.667 3.472 4.465 780 HD22 LEU 599 HD22 LEU 599 6.247 4.501 4.658 781 HD23 LEU 599 HD23 LEU 599 6.290 3.295 3.373 782 H GLN 600 HN GLN 600 7.109 6.264 7.507 783 HA GLN 600 HA GLN 600 6.314 6.286 10.340 784 HB2 GLN 600 HB2 GLN 600 8.619 7.072 9.870 785 HB3 GLN 600 HB3 GLN 600 7.962 8.310 8.810 786 HG2 GLN 600 HG2 GLN 600 6.762 9.267 10.754 787 HG3 GLN 600 HG3 GLN 600 7.565 8.080 11.783 788 HE21 GLN 600 HE21 GLN 600 7.714 10.980 11.852 789 HE22 GLN 600 HE22 GLN 600 9.381 11.392 11.642 790 H LEU 601 HN LEU 601 4.333 7.053 10.706 791 HA LEU 601 HA LEU 601 2.913 8.475 8.644 792 HB2 LEU 601 HB2 LEU 601 2.125 7.732 11.456 793 HB3 LEU 601 HB1 LEU 601 1.065 8.552 10.328 794 HG LEU 601 HG LEU 601 2.122 5.741 10.151 795 HD11 LEU 601 HD11 LEU 601 0.173 6.113 11.567 796 HD12 LEU 601 HD12 LEU 601 -0.242 5.176 10.134 797 HD13 LEU 601 HD13 LEU 601 -0.665 6.887 10.223 798 HD21 LEU 601 HD21 LEU 601 0.887 5.596 8.012 799 HD22 LEU 601 HD22 LEU 601 2.284 6.667 7.932 800 HD23 LEU 601 HD23 LEU 601 0.660 7.343 8.057 801 H LYS 602 HN LYS 602 4.399 10.274 8.571 802 HA LYS 602 HA LYS 602 4.545 12.153 10.701 803 HB2 LYS 602 HB2 LYS 602 4.981 12.521 7.732 804 HB3 LYS 602 HB3 LYS 602 5.373 13.722 8.956 805 HG2 LYS 602 HG2 LYS 602 6.885 12.024 10.006 806 HG3 LYS 602 HG3 LYS 602 6.601 11.001 8.598 807 HD2 LYS 602 HD2 LYS 602 7.734 13.795 8.503 808 HD3 LYS 602 HD3 LYS 602 8.692 12.316 8.451 809 HE2 LYS 602 HE2 LYS 602 7.519 11.648 6.401 810 HE3 LYS 602 HE3 LYS 602 6.603 13.153 6.448 811 HZ1 LYS 602 HZ1 LYS 602 8.495 13.278 4.940 812 HZ2 LYS 602 HZ2 LYS 602 9.554 12.956 6.218 813 HZ3 LYS 602 HZ3 LYS 602 8.654 14.382 6.211 814 H LYS 603 HN LYS 603 2.209 11.418 8.312 815 HA LYS 603 HA LYS 603 0.534 13.609 9.334 816 HB2 LYS 603 HB2 LYS 603 0.412 12.220 6.646 817 HB3 LYS 603 HB3 LYS 603 -0.785 13.372 7.224 818 HG2 LYS 603 HG2 LYS 603 2.135 13.967 6.764 819 HG3 LYS 603 HG3 LYS 603 0.812 14.400 5.680 820 HD2 LYS 603 HD2 LYS 603 -0.147 15.855 7.337 821 HD3 LYS 603 HD3 LYS 603 1.019 15.319 8.546 822 HE2 LYS 603 HE2 LYS 603 1.661 17.486 7.694 823 HE3 LYS 603 HE3 LYS 603 2.834 16.274 7.186 824 HZ1 LYS 603 HZ1 LYS 603 2.224 17.832 5.408 825 HZ2 LYS 603 HZ2 LYS 603 0.622 17.296 5.488 826 HZ3 LYS 603 HZ3 LYS 603 1.847 16.233 5.012 827 HA PRO 604 HA PRO 604 -1.551 10.352 11.375 828 HB2 PRO 604 HB2 PRO 604 -3.835 11.639 12.059 829 HB3 PRO 604 HB1 PRO 604 -2.280 11.958 12.841 830 HG2 PRO 604 HG2 PRO 604 -3.647 13.486 10.656 831 HG3 PRO 604 HG3 PRO 604 -2.825 14.102 12.101 832 HD2 PRO 604 HD2 PRO 604 -1.645 14.076 9.672 833 HD3 PRO 604 HD3 PRO 604 -0.726 13.836 11.173 834 H GLY 605 HN GLY 605 -3.560 9.116 11.398 835 HA2 GLY 605 HA2 GLY 605 -5.199 9.335 8.998 836 HA3 GLY 605 HA3 GLY 605 -4.314 7.838 9.256 837 H LYS 606 HN LYS 606 -6.986 7.747 9.061 838 HA LYS 606 HA LYS 606 -8.228 7.814 11.664 839 HB2 LYS 606 HB2 LYS 606 -9.205 6.826 8.979 840 HB3 LYS 606 HB3 LYS 606 -10.189 6.857 10.435 841 HG2 LYS 606 HG2 LYS 606 -10.022 9.268 10.540 842 HG3 LYS 606 HG3 LYS 606 -8.940 9.276 9.147 843 HD2 LYS 606 HD2 LYS 606 -11.731 8.154 9.036 844 HD3 LYS 606 HD3 LYS 606 -11.369 9.844 8.692 845 HE2 LYS 606 HE2 LYS 606 -10.129 7.499 7.257 846 HE3 LYS 606 HE3 LYS 606 -11.510 8.417 6.662 847 HZ1 LYS 606 HZ1 LYS 606 -8.828 9.563 7.222 848 HZ2 LYS 606 HZ2 LYS 606 -10.148 10.384 6.558 849 HZ3 LYS 606 HZ3 LYS 606 -9.395 9.144 5.684 850 H ASN 607 HN ASN 607 -9.387 5.846 12.481 851 HA ASN 607 HA ASN 607 -7.680 3.727 12.984 852 HB2 ASN 607 HB2 ASN 607 -9.585 4.313 14.400 853 HB3 ASN 607 HB3 ASN 607 -10.699 3.826 13.129 854 HD21 ASN 607 HD21 ASN 607 -8.410 2.739 15.507 855 HD22 ASN 607 HD22 ASN 607 -8.912 1.084 15.525 856 H VAL 608 HN VAL 608 -7.240 1.845 12.050 857 HA VAL 608 HA VAL 608 -8.190 1.453 9.342 858 HB VAL 608 HB VAL 608 -6.005 0.079 10.910 859 HG11 VAL 608 HG11 VAL 608 -5.282 -0.836 8.719 860 HG12 VAL 608 HG12 VAL 608 -6.793 -0.248 8.025 861 HG13 VAL 608 HG13 VAL 608 -6.825 -1.482 9.281 862 HG21 VAL 608 HG21 VAL 608 -5.518 2.401 10.396 863 HG22 VAL 608 HG22 VAL 608 -5.911 2.131 8.697 864 HG23 VAL 608 HG23 VAL 608 -4.509 1.337 9.417 865 H ALA 609 HN ALA 609 -8.633 -0.014 12.476 866 HA ALA 609 HA ALA 609 -9.507 -2.560 11.682 867 HB1 ALA 609 HB1 ALA 609 -9.009 -2.033 14.003 868 HB2 ALA 609 HB2 ALA 609 -10.647 -2.671 13.850 869 HB3 ALA 609 HB3 ALA 609 -10.390 -0.939 14.065 870 H ALA 610 HN ALA 610 -11.210 0.502 11.915 871 HA ALA 610 HA ALA 610 -13.815 -0.423 11.399 872 HB1 ALA 610 HB1 ALA 610 -13.323 1.841 12.198 873 HB2 ALA 610 HB2 ALA 610 -14.299 1.875 10.729 874 HB3 ALA 610 HB3 ALA 610 -12.572 2.223 10.650 875 H ILE 611 HN ILE 611 -11.057 0.091 9.369 876 HA ILE 611 HA ILE 611 -12.436 0.094 6.871 877 HB ILE 611 HB ILE 611 -9.521 -0.492 7.476 878 HG12 ILE 611 HG12 ILE 611 -10.885 2.043 6.527 879 HG13 ILE 611 HG13 ILE 611 -10.302 1.762 8.164 880 HG21 ILE 611 HG21 ILE 611 -10.238 -1.389 5.304 881 HG22 ILE 611 HG22 ILE 611 -9.127 -0.034 5.116 882 HG23 ILE 611 HG23 ILE 611 -10.856 0.201 4.856 883 HD11 ILE 611 HD11 ILE 611 -8.729 3.119 6.981 884 HD12 ILE 611 HD12 ILE 611 -8.648 1.950 5.664 885 HD13 ILE 611 HD13 ILE 611 -8.011 1.529 7.253 886 H ILE 612 HN ILE 612 -10.990 -2.380 8.947 887 HA ILE 612 HA ILE 612 -11.192 -4.578 7.234 888 HB ILE 612 HB ILE 612 -11.781 -4.660 10.201 889 HG12 ILE 612 HG12 ILE 612 -9.089 -4.944 8.858 890 HG13 ILE 612 HG13 ILE 612 -9.625 -3.489 9.691 891 HG21 ILE 612 HG21 ILE 612 -12.328 -6.705 9.019 892 HG22 ILE 612 HG22 ILE 612 -10.904 -6.954 10.029 893 HG23 ILE 612 HG23 ILE 612 -10.724 -6.739 8.288 894 HD11 ILE 612 HD11 ILE 612 -8.170 -4.806 11.103 895 HD12 ILE 612 HD12 ILE 612 -9.227 -6.206 10.923 896 HD13 ILE 612 HD13 ILE 612 -9.801 -4.770 11.773 897 H GLN 613 HN GLN 613 -13.558 -3.169 9.460 898 HA GLN 613 HA GLN 613 -15.644 -4.979 8.792 899 HB2 GLN 613 HB2 GLN 613 -15.788 -2.206 9.984 900 HB3 GLN 613 HB3 GLN 613 -17.134 -3.335 9.896 901 HG2 GLN 613 HG2 GLN 613 -14.591 -3.637 11.471 902 HG3 GLN 613 HG3 GLN 613 -16.230 -3.443 12.093 903 HE21 GLN 613 HE21 GLN 613 -17.666 -5.193 11.973 904 HE22 GLN 613 HE22 GLN 613 -17.113 -6.805 11.733 905 H ASP 614 HN ASP 614 -14.469 -2.037 7.434 906 HA ASP 614 HA ASP 614 -16.662 -1.443 5.732 907 HB2 ASP 614 HB2 ASP 614 -14.647 0.059 6.309 908 HB3 ASP 614 HB3 ASP 614 -13.793 -0.817 5.042 909 H ILE 615 HN ILE 615 -13.705 -3.368 5.286 910 HA ILE 615 HA ILE 615 -14.156 -4.214 2.652 911 HB ILE 615 HB ILE 615 -12.847 -5.722 4.925 912 HG12 ILE 615 HG12 ILE 615 -11.586 -4.079 2.726 913 HG13 ILE 615 HG13 ILE 615 -11.899 -3.472 4.350 914 HG21 ILE 615 HG21 ILE 615 -11.722 -7.020 3.184 915 HG22 ILE 615 HG22 ILE 615 -12.636 -6.160 1.944 916 HG23 ILE 615 HG23 ILE 615 -13.473 -7.213 3.087 917 HD11 ILE 615 HD11 ILE 615 -10.442 -5.230 5.251 918 HD12 ILE 615 HD12 ILE 615 -9.612 -4.133 4.151 919 HD13 ILE 615 HD13 ILE 615 -10.083 -5.740 3.602 920 H HIS 616 HN HIS 616 -15.173 -5.588 5.745 921 HA HIS 616 HA HIS 616 -16.541 -7.813 4.705 922 HB2 HIS 616 HB2 HIS 616 -16.819 -6.316 7.303 923 HB3 HIS 616 HB3 HIS 616 -17.827 -7.707 6.920 924 HD1 HIS 616 HD1 HIS 616 -16.232 -9.910 6.161 925 HD2 HIS 616 HD2 HIS 616 -14.600 -7.023 8.668 926 HE1 HIS 616 HE1 HIS 616 -14.276 -11.017 7.286 927 HE2 HIS 616 HE2 HIS 616 -13.313 -9.264 8.814 928 H SER 617 HN SER 617 -17.447 -4.479 5.007 929 HA SER 617 HA SER 617 -20.209 -4.852 4.439 930 HB2 SER 617 HB2 SER 617 -18.485 -2.392 4.075 931 HB3 SER 617 HB3 SER 617 -20.247 -2.428 4.087 932 HG SER 617 HG SER 617 -18.631 -3.289 6.263 933 H GLN 618 HN GLN 618 -17.316 -4.674 2.542 934 HA GLN 618 HA GLN 618 -18.759 -4.153 0.070 935 HB2 GLN 618 HB2 GLN 618 -15.818 -4.667 0.530 936 HB3 GLN 618 HB3 GLN 618 -16.553 -4.154 -0.981 937 HG2 GLN 618 HG2 GLN 618 -17.190 -2.047 -0.011 938 HG3 GLN 618 HG3 GLN 618 -16.605 -2.562 1.569 939 HE21 GLN 618 HE21 GLN 618 -15.123 -0.937 1.786 940 HE22 GLN 618 HE22 GLN 618 -13.678 -0.848 0.820 941 H ARG 619 HN ARG 619 -19.957 -5.924 -0.353 942 HA ARG 619 HA ARG 619 -20.509 -7.973 -1.130 943 HB2 ARG 619 HB2 ARG 619 -17.580 -8.010 -1.842 944 HB3 ARG 619 HB3 ARG 619 -18.687 -9.304 -2.278 945 HG2 ARG 619 HG2 ARG 619 -20.024 -7.748 -3.583 946 HG3 ARG 619 HG3 ARG 619 -18.957 -6.423 -3.112 947 HD2 ARG 619 HD2 ARG 619 -17.113 -7.411 -4.276 948 HD3 ARG 619 HD3 ARG 619 -18.034 -8.880 -4.589 949 HE ARG 619 HE ARG 619 -19.550 -7.090 -5.821 950 HH11 ARG 619 HH11 ARG 619 -16.068 -7.427 -5.834 951 HH12 ARG 619 HH12 ARG 619 -15.891 -6.839 -7.455 952 HH21 ARG 619 HH21 ARG 619 -19.318 -6.327 -7.970 953 HH22 ARG 619 HH22 ARG 619 -17.736 -6.221 -8.672 954 H GLU 620 HN GLU 620 -19.789 -10.427 -0.986 955 HA GLU 620 HA GLU 620 -19.664 -12.232 0.383 956 HB2 GLU 620 HB2 GLU 620 -17.469 -10.597 1.658 957 HB3 GLU 620 HB3 GLU 620 -17.752 -12.300 1.966 958 HG2 GLU 620 HG2 GLU 620 -17.010 -11.088 -0.684 959 HG3 GLU 620 HG3 GLU 620 -15.923 -11.954 0.399 960 H ARG 621 HN ARG 621 -21.735 -10.641 1.040 961 HA ARG 621 HA ARG 621 -21.630 -10.311 3.952 962 HB2 ARG 621 HB2 ARG 621 -23.654 -9.313 1.939 963 HB3 ARG 621 HB3 ARG 621 -23.747 -9.047 3.676 964 HG2 ARG 621 HG2 ARG 621 -21.612 -7.826 3.577 965 HG3 ARG 621 HG3 ARG 621 -21.592 -8.044 1.826 966 HD2 ARG 621 HD2 ARG 621 -22.436 -5.847 2.366 967 HD3 ARG 621 HD3 ARG 621 -23.728 -6.828 1.677 968 HE ARG 621 HE ARG 621 -23.703 -6.946 4.530 969 HH11 ARG 621 HH11 ARG 621 -24.691 -4.966 1.818 970 HH12 ARG 621 HH12 ARG 621 -25.966 -4.183 2.694 971 HH21 ARG 621 HH21 ARG 621 -25.372 -5.899 5.689 972 HH22 ARG 621 HH22 ARG 621 -26.355 -4.711 4.890 Start of MODEL 7 1 HO5' ADN 1 H5T ADE 1 6.368 0.778 -14.415 2 H5'1 ADN 1 H5' ADE 1 8.741 -0.024 -13.875 3 H5'2 ADN 1 H5'' ADE 1 8.283 0.868 -12.417 4 H4' ADN 1 H4' ADE 1 9.197 1.889 -14.842 5 H3' ADN 1 H3' ADE 1 9.042 2.879 -12.302 6 H2' ADN 1 H2' ADE 1 6.792 3.673 -12.379 7 HO2' ADN 1 HO2' ADE 1 8.048 5.578 -12.209 8 H1' ADN 1 H1' ADE 1 7.169 4.419 -15.329 9 H8 ADN 1 H8 ADE 1 4.656 1.840 -14.644 10 HN61 ADN 1 H61 ADE 1 0.651 4.582 -14.328 11 HN62 ADN 1 H62 ADE 1 0.386 6.307 -14.203 12 H2 ADN 1 H2 ADE 1 4.433 8.238 -14.216 13 H5' U 2 H5' URI 2 10.932 6.377 -10.634 14 H5'' U 2 H5'' URI 2 10.730 5.015 -9.518 15 H4' U 2 H4' URI 2 9.069 7.295 -9.913 16 H3' U 2 H3' URI 2 9.667 5.900 -7.709 17 H2' U 2 H2' URI 2 8.502 3.860 -8.430 18 HO2' U 2 HO2' URI 2 6.872 5.541 -6.825 19 H1' U 2 H1' URI 2 6.232 5.799 -9.212 20 H3 U 2 H3 URI 2 3.501 3.099 -11.450 21 H5 U 2 H5 URI 2 6.799 0.622 -10.665 22 H6 U 2 H6 URI 2 7.910 2.526 -9.703 23 H5' C 3 H5' CYT 3 6.813 7.014 -4.831 24 H5'' C 3 H5'' CYT 3 7.363 8.641 -4.389 25 H4' C 3 H4' CYT 3 7.234 7.429 -2.393 26 H3' C 3 H3' CYT 3 9.570 8.618 -2.921 27 H2' C 3 H2' CYT 3 10.639 6.716 -3.981 28 HO2' C 3 HO2' CYT 3 11.831 7.389 -2.039 29 H1' C 3 H1' CYT 3 9.480 4.952 -1.746 30 H41 C 3 H41 CYT 3 10.980 1.025 -6.858 31 H42 C 3 H42 CYT 3 11.765 0.352 -5.448 32 H5 C 3 H5 CYT 3 9.758 3.121 -6.808 33 H6 C 3 H6 CYT 3 9.020 4.965 -5.392 34 H5' U 4 H5' URI 4 7.502 11.782 -1.139 35 H5'' U 4 H5'' URI 4 8.399 11.558 0.375 36 H4' U 4 H4' URI 4 5.490 11.276 -0.191 37 H3' U 4 H3' URI 4 6.793 13.264 1.117 38 H2' U 4 H2' URI 4 7.585 11.925 2.967 39 HO2' U 4 HO2' URI 4 5.701 12.006 4.574 40 H1' U 4 H1' URI 4 4.887 10.448 2.888 41 H3 U 4 H3 URI 4 6.779 8.903 6.830 42 H5 U 4 H5 URI 4 8.808 7.029 3.669 43 H6 U 4 H6 URI 4 7.708 8.557 2.166 44 H5' U 5 H5' URI 5 3.254 12.831 -0.265 45 H5'' U 5 H5'' URI 5 2.588 14.174 -1.217 46 H4' U 5 H4' URI 5 0.704 12.993 -0.818 47 H3' U 5 H3' URI 5 0.711 15.327 0.591 48 H2' U 5 H2' URI 5 1.251 14.375 2.733 49 HO2' U 5 HO2' URI 5 -1.468 14.563 2.248 50 H1' U 5 H1' URI 5 -0.519 11.978 1.963 51 H3 U 5 H3 URI 5 0.168 9.722 5.707 52 H5 U 5 H5 URI 5 3.831 11.711 5.185 53 H6 U 5 H6 URI 5 2.906 12.736 3.211 54 H5' A 6 H5' ADE 6 -4.751 15.903 -1.222 55 H5'' A 6 H5'' ADE 6 -3.362 16.968 -0.936 56 H4' A 6 H4' ADE 6 -4.101 14.759 0.959 57 H3' A 6 H3' ADE 6 -5.979 16.625 0.642 58 HO3' A 6 H3T ADE 6 -4.962 15.354 2.874 59 H2' A 6 H2' ADE 6 -4.529 18.557 0.851 60 HO2' A 6 HO2' ADE 6 -5.791 17.804 3.219 61 H1' A 6 H1' ADE 6 -3.172 17.188 3.242 62 H8 A 6 H8 ADE 6 -3.367 20.359 1.967 63 H61 A 6 H61 ADE 6 1.264 21.769 1.529 64 H62 A 6 H62 ADE 6 2.781 20.899 1.487 65 H2 A 6 H2 ADE 6 1.800 16.551 1.917 66 H1 GLY 510 HT1 GLY 510 16.489 -10.352 10.559 67 H2 GLY 510 HT2 GLY 510 16.800 -9.254 11.804 68 H3 GLY 510 HT3 GLY 510 17.471 -10.804 11.856 69 HA2 GLY 510 HA3 GLY 510 19.133 -9.185 11.210 70 HA3 GLY 510 HA2 GLY 510 18.815 -10.338 9.922 71 H ALA 511 HN ALA 511 19.807 -8.544 8.643 72 HA ALA 511 HA ALA 511 17.666 -6.739 7.744 73 HB1 ALA 511 HB1 ALA 511 20.589 -6.025 7.955 74 HB2 ALA 511 HB2 ALA 511 19.313 -5.454 9.029 75 HB3 ALA 511 HB3 ALA 511 19.308 -4.988 7.328 76 H MET 512 HN MET 512 18.867 -9.390 6.899 77 HA MET 512 HA MET 512 20.004 -8.755 4.298 78 HB2 MET 512 HB2 MET 512 20.335 -11.169 4.079 79 HB3 MET 512 HB3 MET 512 20.998 -10.578 5.596 80 HG2 MET 512 HG2 MET 512 19.074 -11.421 6.798 81 HG3 MET 512 HG3 MET 512 18.334 -11.944 5.286 82 HE1 MET 512 HE1 MET 512 22.178 -13.795 7.055 83 HE2 MET 512 HE2 MET 512 21.267 -12.496 7.825 84 HE3 MET 512 HE3 MET 512 22.140 -12.190 6.324 85 H ALA 513 HN ALA 513 19.159 -9.891 2.369 86 HA ALA 513 HA ALA 513 17.525 -10.256 0.839 87 HB1 ALA 513 HB1 ALA 513 15.669 -11.685 1.480 88 HB2 ALA 513 HB2 ALA 513 15.996 -11.379 3.186 89 HB3 ALA 513 HB3 ALA 513 17.166 -12.265 2.210 90 H GLN 514 HN GLN 514 17.631 -7.704 2.068 91 HA GLN 514 HA GLN 514 16.522 -5.736 2.151 92 HB2 GLN 514 HB2 GLN 514 14.318 -7.302 0.821 93 HB3 GLN 514 HB3 GLN 514 14.274 -5.566 1.084 94 HG2 GLN 514 HG2 GLN 514 16.376 -6.989 -0.528 95 HG3 GLN 514 HG3 GLN 514 14.929 -6.241 -1.204 96 HE21 GLN 514 HE21 GLN 514 14.744 -4.009 -1.212 97 HE22 GLN 514 HE22 GLN 514 16.111 -2.976 -0.997 98 H ARG 515 HN ARG 515 16.070 -5.014 4.081 99 HA ARG 515 HA ARG 515 15.101 -6.373 6.234 100 HB2 ARG 515 HB2 ARG 515 14.863 -3.422 5.655 101 HB3 ARG 515 HB3 ARG 515 14.539 -4.140 7.224 102 HG2 ARG 515 HG2 ARG 515 16.865 -4.943 7.304 103 HG3 ARG 515 HG3 ARG 515 17.173 -4.133 5.768 104 HD2 ARG 515 HD2 ARG 515 17.904 -2.789 7.699 105 HD3 ARG 515 HD3 ARG 515 16.645 -1.984 6.761 106 HE ARG 515 HE ARG 515 15.581 -3.522 8.922 107 HH11 ARG 515 HH11 ARG 515 17.074 -0.444 8.155 108 HH12 ARG 515 HH12 ARG 515 16.324 0.383 9.484 109 HH21 ARG 515 HH21 ARG 515 14.609 -2.438 10.660 110 HH22 ARG 515 HH22 ARG 515 14.925 -0.748 10.907 111 H LYS 516 HN LYS 516 13.227 -7.292 6.688 112 HA LYS 516 HA LYS 516 10.754 -5.840 6.105 113 HB2 LYS 516 HB2 LYS 516 11.196 -8.772 5.498 114 HB3 LYS 516 HB3 LYS 516 9.630 -7.973 5.474 115 HG2 LYS 516 HG2 LYS 516 11.966 -7.310 3.695 116 HG3 LYS 516 HG3 LYS 516 10.546 -8.250 3.233 117 HD2 LYS 516 HD2 LYS 516 9.116 -6.349 3.506 118 HD3 LYS 516 HD3 LYS 516 10.425 -5.403 4.219 119 HE2 LYS 516 HE2 LYS 516 10.266 -6.408 1.380 120 HE3 LYS 516 HE3 LYS 516 10.100 -4.736 1.917 121 HZ1 LYS 516 HZ1 LYS 516 12.532 -6.424 2.092 122 HZ2 LYS 516 HZ2 LYS 516 12.400 -4.869 2.750 123 HZ3 LYS 516 HZ3 LYS 516 12.297 -5.092 1.075 124 H GLY 517 HN GLY 517 12.526 -6.508 8.462 125 HA2 GLY 517 HA2 GLY 517 10.621 -7.997 10.123 126 HA3 GLY 517 HA3 GLY 517 12.270 -7.577 10.568 127 H ALA 518 HN ALA 518 12.655 -5.716 11.651 128 HA ALA 518 HA ALA 518 10.367 -4.238 12.634 129 HB1 ALA 518 HB1 ALA 518 13.310 -3.969 13.242 130 HB2 ALA 518 HB2 ALA 518 12.114 -4.838 14.204 131 HB3 ALA 518 HB3 ALA 518 12.020 -3.084 14.055 132 H GLY 519 HN GLY 519 10.257 -3.768 10.115 133 HA2 GLY 519 HA2 GLY 519 10.218 -1.145 9.577 134 HA3 GLY 519 HA3 GLY 519 11.910 -1.537 9.272 135 H ARG 520 HN ARG 520 8.661 -1.797 8.122 136 HA ARG 520 HA ARG 520 9.717 -3.055 5.672 137 HB2 ARG 520 HB2 ARG 520 6.928 -3.343 6.807 138 HB3 ARG 520 HB3 ARG 520 7.548 -4.119 5.356 139 HG2 ARG 520 HG2 ARG 520 8.861 -5.600 6.552 140 HG3 ARG 520 HG3 ARG 520 8.857 -4.592 8.000 141 HD2 ARG 520 HD2 ARG 520 6.517 -6.127 6.878 142 HD3 ARG 520 HD3 ARG 520 7.456 -6.554 8.308 143 HE ARG 520 HE ARG 520 5.681 -4.200 8.058 144 HH11 ARG 520 HH11 ARG 520 7.431 -6.516 10.044 145 HH12 ARG 520 HH12 ARG 520 6.670 -6.017 11.516 146 HH21 ARG 520 HH21 ARG 520 4.701 -3.535 9.990 147 HH22 ARG 520 HH22 ARG 520 5.106 -4.329 11.487 148 H VAL 521 HN VAL 521 9.444 -1.882 3.886 149 HA VAL 521 HA VAL 521 7.213 0.025 3.831 150 HB VAL 521 HB VAL 521 9.793 0.264 2.285 151 HG11 VAL 521 HG11 VAL 521 8.810 2.541 1.742 152 HG12 VAL 521 HG12 VAL 521 7.264 1.865 2.266 153 HG13 VAL 521 HG13 VAL 521 8.124 1.149 0.908 154 HG21 VAL 521 HG21 VAL 521 8.700 1.937 4.534 155 HG22 VAL 521 HG22 VAL 521 10.195 2.234 3.648 156 HG23 VAL 521 HG23 VAL 521 10.038 0.797 4.658 157 H VAL 522 HN VAL 522 5.625 -0.564 2.558 158 HA VAL 522 HA VAL 522 6.251 -2.132 0.142 159 HB VAL 522 HB VAL 522 3.652 -2.228 1.687 160 HG11 VAL 522 HG11 VAL 522 3.199 -4.203 0.295 161 HG12 VAL 522 HG12 VAL 522 4.711 -3.923 -0.570 162 HG13 VAL 522 HG13 VAL 522 3.407 -2.741 -0.670 163 HG21 VAL 522 HG21 VAL 522 4.338 -4.452 2.450 164 HG22 VAL 522 HG22 VAL 522 5.429 -3.197 3.039 165 HG23 VAL 522 HG23 VAL 522 5.914 -4.225 1.691 166 H HIS 523 HN HIS 523 5.767 -1.009 -1.717 167 HA HIS 523 HA HIS 523 4.253 1.466 -1.332 168 HB2 HIS 523 HB2 HIS 523 6.617 1.643 -2.076 169 HB3 HIS 523 HB3 HIS 523 6.222 0.686 -3.497 170 HD1 HIS 523 HD1 HIS 523 4.880 1.863 -5.381 171 HD2 HIS 523 HD2 HIS 523 5.857 4.325 -2.180 172 HE1 HIS 523 HE1 HIS 523 4.503 4.206 -6.194 173 HE2 HIS 523 HE2 HIS 523 5.343 5.669 -4.329 174 H ILE 524 HN ILE 524 2.451 1.828 -2.414 175 HA ILE 524 HA ILE 524 1.611 -0.126 -4.447 176 HB ILE 524 HB ILE 524 -0.137 1.681 -2.760 177 HG12 ILE 524 HG12 ILE 524 0.557 -1.248 -2.475 178 HG13 ILE 524 HG13 ILE 524 0.917 0.039 -1.336 179 HG21 ILE 524 HG21 ILE 524 -0.811 -0.566 -4.654 180 HG22 ILE 524 HG22 ILE 524 -1.176 1.145 -4.868 181 HG23 ILE 524 HG23 ILE 524 -1.967 0.228 -3.585 182 HD11 ILE 524 HD11 ILE 524 -1.439 0.297 -0.849 183 HD12 ILE 524 HD12 ILE 524 -0.924 -1.374 -0.593 184 HD13 ILE 524 HD13 ILE 524 -1.837 -0.940 -2.042 185 H CYS 525 HN CYS 525 0.978 0.665 -6.439 186 HA CYS 525 HA CYS 525 1.323 3.559 -6.823 187 HB2 CYS 525 HB2 CYS 525 2.330 1.899 -9.018 188 HB3 CYS 525 HB3 CYS 525 3.059 3.301 -8.241 189 HG CYS 525 HG CYS 525 3.158 0.137 -6.927 190 H ASN 526 HN ASN 526 0.368 4.416 -8.681 191 HA ASN 526 HA ASN 526 -0.840 4.512 -10.626 192 HB2 ASN 526 HB2 ASN 526 -1.392 1.570 -10.213 193 HB3 ASN 526 HB3 ASN 526 -1.964 2.509 -11.585 194 HD21 ASN 526 HD21 ASN 526 -0.251 0.185 -11.523 195 HD22 ASN 526 HD22 ASN 526 1.231 0.650 -12.290 196 H LEU 527 HN LEU 527 -1.687 4.997 -7.917 197 HA LEU 527 HA LEU 527 -4.513 4.316 -7.871 198 HB2 LEU 527 HB2 LEU 527 -2.749 5.938 -6.040 199 HB3 LEU 527 HB1 LEU 527 -4.478 5.791 -5.806 200 HG LEU 527 HG LEU 527 -2.606 3.423 -5.837 201 HD11 LEU 527 HD11 LEU 527 -2.830 3.450 -3.390 202 HD12 LEU 527 HD12 LEU 527 -3.689 4.988 -3.497 203 HD13 LEU 527 HD13 LEU 527 -2.001 4.884 -3.995 204 HD21 LEU 527 HD21 LEU 527 -4.481 2.289 -4.770 205 HD22 LEU 527 HD22 LEU 527 -4.956 2.942 -6.338 206 HD23 LEU 527 HD23 LEU 527 -5.438 3.768 -4.858 207 HA PRO 528 HA PRO 528 -5.303 8.076 -10.190 208 HB2 PRO 528 HB2 PRO 528 -8.135 7.505 -9.897 209 HB3 PRO 528 HB1 PRO 528 -7.138 7.440 -11.351 210 HG2 PRO 528 HG2 PRO 528 -8.199 5.232 -10.152 211 HG3 PRO 528 HG3 PRO 528 -6.709 5.207 -11.110 212 HD2 PRO 528 HD2 PRO 528 -7.055 5.233 -8.140 213 HD3 PRO 528 HD3 PRO 528 -5.878 4.351 -9.137 214 H GLU 529 HN GLU 529 -5.525 10.102 -9.451 215 HA GLU 529 HA GLU 529 -6.320 10.697 -6.804 216 HB2 GLU 529 HB2 GLU 529 -4.795 12.177 -7.892 217 HB3 GLU 529 HB3 GLU 529 -5.902 12.424 -9.237 218 HG2 GLU 529 HG2 GLU 529 -5.897 14.382 -7.861 219 HG3 GLU 529 HG3 GLU 529 -7.458 13.582 -7.712 220 H GLY 530 HN GLY 530 -8.235 11.577 -6.005 221 HA2 GLY 530 HA2 GLY 530 -10.535 12.038 -6.077 222 HA3 GLY 530 HA3 GLY 530 -10.538 11.634 -7.793 223 H SER 531 HN SER 531 -8.823 9.371 -6.074 224 HA SER 531 HA SER 531 -10.989 7.608 -5.445 225 HB2 SER 531 HB2 SER 531 -9.224 7.044 -7.839 226 HB3 SER 531 HB3 SER 531 -10.344 5.885 -7.113 227 HG SER 531 HG SER 531 -11.672 8.144 -7.566 228 H CYS 532 HN CYS 532 -8.020 8.790 -4.934 229 HA CYS 532 HA CYS 532 -6.733 6.360 -3.990 230 HB2 CYS 532 HB2 CYS 532 -5.907 9.256 -3.659 231 HB3 CYS 532 HB3 CYS 532 -4.921 7.861 -3.244 232 HG CYS 532 HG CYS 532 -5.946 8.034 -6.444 233 H THR 533 HN THR 533 -8.474 5.808 -2.491 234 HA THR 533 HA THR 533 -8.763 7.679 -0.251 235 HB THR 533 HB THR 533 -10.647 6.347 0.455 236 HG1 THR 533 HG1 THR 533 -10.988 4.512 -1.376 237 HG21 THR 533 HG21 THR 533 -11.130 7.907 -1.350 238 HG22 THR 533 HG22 THR 533 -12.107 6.451 -1.533 239 HG23 THR 533 HG23 THR 533 -10.684 6.691 -2.546 240 H GLU 534 HN GLU 534 -8.332 6.997 1.884 241 HA GLU 534 HA GLU 534 -6.161 5.216 2.191 242 HB2 GLU 534 HB2 GLU 534 -8.029 6.283 4.317 243 HB3 GLU 534 HB3 GLU 534 -6.440 5.577 4.576 244 HG2 GLU 534 HG2 GLU 534 -5.424 7.421 3.272 245 HG3 GLU 534 HG3 GLU 534 -7.031 8.124 3.086 246 H ASN 535 HN ASN 535 -9.582 4.961 2.389 247 HA ASN 535 HA ASN 535 -9.742 2.518 3.795 248 HB2 ASN 535 HB2 ASN 535 -11.592 4.271 3.307 249 HB3 ASN 535 HB3 ASN 535 -11.809 3.391 1.798 250 HD21 ASN 535 HD21 ASN 535 -12.167 3.318 5.232 251 HD22 ASN 535 HD22 ASN 535 -13.129 1.877 5.315 252 H ASP 536 HN ASP 536 -9.662 3.227 0.266 253 HA ASP 536 HA ASP 536 -10.206 0.506 -0.466 254 HB2 ASP 536 HB2 ASP 536 -9.281 2.923 -1.997 255 HB3 ASP 536 HB3 ASP 536 -9.280 1.335 -2.751 256 H VAL 537 HN VAL 537 -7.348 2.487 -0.311 257 HA VAL 537 HA VAL 537 -5.471 0.646 -1.319 258 HB VAL 537 HB VAL 537 -4.973 2.811 0.747 259 HG11 VAL 537 HG11 VAL 537 -3.060 1.573 -1.228 260 HG12 VAL 537 HG12 VAL 537 -3.115 1.187 0.492 261 HG13 VAL 537 HG13 VAL 537 -2.690 2.818 -0.035 262 HG21 VAL 537 HG21 VAL 537 -4.943 2.892 -2.266 263 HG22 VAL 537 HG22 VAL 537 -4.357 4.183 -1.219 264 HG23 VAL 537 HG23 VAL 537 -6.063 3.732 -1.195 265 H ILE 538 HN ILE 538 -6.477 1.324 1.994 266 HA ILE 538 HA ILE 538 -5.020 -0.796 3.164 267 HB ILE 538 HB ILE 538 -7.384 0.780 4.153 268 HG12 ILE 538 HG12 ILE 538 -4.436 0.780 4.808 269 HG13 ILE 538 HG13 ILE 538 -5.332 2.045 3.972 270 HG21 ILE 538 HG21 ILE 538 -5.758 -1.297 5.608 271 HG22 ILE 538 HG22 ILE 538 -7.455 -1.433 5.158 272 HG23 ILE 538 HG23 ILE 538 -6.952 -0.230 6.343 273 HD11 ILE 538 HD11 ILE 538 -6.643 2.432 6.006 274 HD12 ILE 538 HD12 ILE 538 -4.915 2.682 6.254 275 HD13 ILE 538 HD13 ILE 538 -5.685 1.206 6.835 276 H ASN 539 HN ASN 539 -8.254 -0.613 1.728 277 HA ASN 539 HA ASN 539 -9.242 -3.077 2.562 278 HB2 ASN 539 HB2 ASN 539 -9.639 -1.700 -0.100 279 HB3 ASN 539 HB3 ASN 539 -10.479 -3.170 0.360 280 HD21 ASN 539 HD21 ASN 539 -10.686 -2.133 3.182 281 HD22 ASN 539 HD22 ASN 539 -11.965 -0.988 3.115 282 H LEU 540 HN LEU 540 -6.810 -2.319 0.170 283 HA LEU 540 HA LEU 540 -6.673 -4.988 -0.858 284 HB2 LEU 540 HB2 LEU 540 -4.624 -2.765 -0.854 285 HB3 LEU 540 HB1 LEU 540 -4.517 -4.237 -1.798 286 HG LEU 540 HG LEU 540 -6.593 -2.070 -2.123 287 HD11 LEU 540 HD11 LEU 540 -5.489 -1.628 -4.233 288 HD12 LEU 540 HD12 LEU 540 -4.307 -2.893 -3.902 289 HD13 LEU 540 HD13 LEU 540 -4.356 -1.447 -2.895 290 HD21 LEU 540 HD21 LEU 540 -6.170 -4.620 -3.678 291 HD22 LEU 540 HD22 LEU 540 -7.286 -3.326 -4.114 292 HD23 LEU 540 HD23 LEU 540 -7.541 -4.247 -2.633 293 H GLY 541 HN GLY 541 -4.910 -3.092 1.570 294 HA2 GLY 541 HA2 GLY 541 -3.042 -5.036 2.283 295 HA3 GLY 541 HA3 GLY 541 -3.554 -3.693 3.293 296 H LEU 542 HN LEU 542 -6.134 -4.355 3.938 297 HA LEU 542 HA LEU 542 -5.505 -5.839 6.205 298 HB2 LEU 542 HB2 LEU 542 -8.100 -4.919 5.070 299 HB3 LEU 542 HB1 LEU 542 -8.052 -5.880 6.535 300 HG LEU 542 HG LEU 542 -6.571 -3.276 6.204 301 HD11 LEU 542 HD11 LEU 542 -9.248 -3.819 7.471 302 HD12 LEU 542 HD12 LEU 542 -8.947 -2.863 6.022 303 HD13 LEU 542 HD13 LEU 542 -8.352 -2.306 7.586 304 HD21 LEU 542 HD21 LEU 542 -6.413 -3.379 8.638 305 HD22 LEU 542 HD22 LEU 542 -5.661 -4.789 7.894 306 HD23 LEU 542 HD23 LEU 542 -7.256 -4.927 8.633 307 HA PRO 543 HA PRO 543 -8.217 -9.507 4.470 308 HB2 PRO 543 HB2 PRO 543 -7.451 -9.322 1.598 309 HB3 PRO 543 HB1 PRO 543 -8.995 -9.791 2.327 310 HG2 PRO 543 HG2 PRO 543 -8.764 -7.404 1.222 311 HG3 PRO 543 HG3 PRO 543 -9.590 -7.564 2.790 312 HD2 PRO 543 HD2 PRO 543 -6.766 -6.687 2.226 313 HD3 PRO 543 HD3 PRO 543 -7.976 -5.943 3.292 314 H PHE 544 HN PHE 544 -5.020 -8.636 3.188 315 HA PHE 544 HA PHE 544 -4.234 -11.450 3.368 316 HB2 PHE 544 HB2 PHE 544 -2.703 -9.072 2.311 317 HB3 PHE 544 HB3 PHE 544 -2.146 -10.737 2.272 318 HD1 PHE 544 HD1 PHE 544 -3.361 -12.392 0.851 319 HD2 PHE 544 HD2 PHE 544 -4.139 -8.212 0.665 320 HE1 PHE 544 HE1 PHE 544 -4.440 -12.695 -1.340 321 HE2 PHE 544 HE2 PHE 544 -5.223 -8.507 -1.524 322 HZ PHE 544 HZ PHE 544 -5.374 -10.751 -2.531 323 H GLY 545 HN GLY 545 -4.100 -8.551 5.162 324 HA2 GLY 545 HA2 GLY 545 -2.913 -9.749 7.399 325 HA3 GLY 545 HA3 GLY 545 -1.658 -8.878 6.530 326 H LYS 546 HN LYS 546 -2.567 -8.287 9.172 327 HA LYS 546 HA LYS 546 -4.411 -6.153 9.203 328 HB2 LYS 546 HB2 LYS 546 -3.762 -7.475 11.197 329 HB3 LYS 546 HB3 LYS 546 -2.173 -6.730 11.151 330 HG2 LYS 546 HG2 LYS 546 -3.162 -4.547 11.568 331 HG3 LYS 546 HG3 LYS 546 -4.774 -5.268 11.563 332 HD2 LYS 546 HD2 LYS 546 -4.114 -6.679 13.478 333 HD3 LYS 546 HD3 LYS 546 -2.544 -5.876 13.503 334 HE2 LYS 546 HE2 LYS 546 -5.196 -4.486 13.858 335 HE3 LYS 546 HE3 LYS 546 -4.141 -4.981 15.177 336 HZ1 LYS 546 HZ1 LYS 546 -3.836 -2.657 14.639 337 HZ2 LYS 546 HZ2 LYS 546 -3.454 -3.039 13.041 338 HZ3 LYS 546 HZ3 LYS 546 -2.425 -3.520 14.292 339 H VAL 547 HN VAL 547 -4.212 -4.115 8.621 340 HA VAL 547 HA VAL 547 -1.685 -3.074 7.698 341 HB VAL 547 HB VAL 547 -4.462 -1.879 7.785 342 HG11 VAL 547 HG11 VAL 547 -3.658 -0.064 6.442 343 HG12 VAL 547 HG12 VAL 547 -2.035 -0.757 6.392 344 HG13 VAL 547 HG13 VAL 547 -2.686 -0.141 7.911 345 HG21 VAL 547 HG21 VAL 547 -4.405 -3.620 6.208 346 HG22 VAL 547 HG22 VAL 547 -2.804 -3.156 5.635 347 HG23 VAL 547 HG23 VAL 547 -4.194 -2.138 5.275 348 H THR 548 HN THR 548 -0.291 -2.238 9.092 349 HA THR 548 HA THR 548 -1.241 -1.055 11.568 350 HB THR 548 HB THR 548 1.248 -0.883 12.052 351 HG1 THR 548 HG1 THR 548 2.592 -1.417 10.497 352 HG21 THR 548 HG21 THR 548 -0.120 -2.720 12.918 353 HG22 THR 548 HG22 THR 548 1.491 -3.290 12.477 354 HG23 THR 548 HG23 THR 548 0.120 -3.614 11.417 355 H ASN 549 HN ASN 549 0.366 -0.094 8.597 356 HA ASN 549 HA ASN 549 -0.238 2.690 9.244 357 HB2 ASN 549 HB2 ASN 549 2.536 1.838 8.375 358 HB3 ASN 549 HB3 ASN 549 1.996 3.489 8.627 359 HD21 ASN 549 HD21 ASN 549 1.648 4.217 10.745 360 HD22 ASN 549 HD22 ASN 549 2.331 3.402 12.103 361 H TYR 550 HN TYR 550 -0.118 4.113 7.408 362 HA TYR 550 HA TYR 550 0.216 3.056 4.765 363 HB2 TYR 550 HB2 TYR 550 -2.147 3.511 4.071 364 HB3 TYR 550 HB3 TYR 550 -1.991 2.154 5.183 365 HD1 TYR 550 HD1 TYR 550 -3.784 5.093 4.493 366 HD2 TYR 550 HD2 TYR 550 -2.283 2.784 7.730 367 HE1 TYR 550 HE1 TYR 550 -5.398 6.159 6.012 368 HE2 TYR 550 HE2 TYR 550 -3.906 3.823 9.243 369 HH TYR 550 HH TYR 550 -5.277 5.706 9.443 370 H ILE 551 HN ILE 551 0.145 4.731 3.150 371 HA ILE 551 HA ILE 551 -0.070 7.486 4.110 372 HB ILE 551 HB ILE 551 2.398 6.423 2.728 373 HG12 ILE 551 HG12 ILE 551 2.144 7.435 5.570 374 HG13 ILE 551 HG13 ILE 551 2.235 5.734 5.129 375 HG21 ILE 551 HG21 ILE 551 3.320 8.661 3.111 376 HG22 ILE 551 HG22 ILE 551 1.770 9.171 3.780 377 HG23 ILE 551 HG23 ILE 551 1.887 8.693 2.086 378 HD11 ILE 551 HD11 ILE 551 4.369 7.794 4.635 379 HD12 ILE 551 HD12 ILE 551 4.459 6.083 4.214 380 HD13 ILE 551 HD13 ILE 551 4.374 6.571 5.907 381 H LEU 552 HN LEU 552 -1.072 8.670 2.500 382 HA LEU 552 HA LEU 552 -1.194 7.359 -0.127 383 HB2 LEU 552 HB2 LEU 552 -3.150 9.210 1.217 384 HB3 LEU 552 HB1 LEU 552 -3.266 8.713 -0.460 385 HG LEU 552 HG LEU 552 -3.587 7.029 2.003 386 HD11 LEU 552 HD11 LEU 552 -5.359 7.635 -0.348 387 HD12 LEU 552 HD12 LEU 552 -5.492 8.344 1.261 388 HD13 LEU 552 HD13 LEU 552 -5.773 6.621 1.032 389 HD21 LEU 552 HD21 LEU 552 -3.876 5.111 0.518 390 HD22 LEU 552 HD22 LEU 552 -2.240 5.760 0.408 391 HD23 LEU 552 HD23 LEU 552 -3.412 6.104 -0.864 392 H MET 553 HN MET 553 -0.153 8.373 -1.754 393 HA MET 553 HA MET 553 0.410 11.247 -1.366 394 HB2 MET 553 HB2 MET 553 1.931 9.257 -3.067 395 HB3 MET 553 HB3 MET 553 2.304 10.968 -2.918 396 HG2 MET 553 HG2 MET 553 2.777 10.639 -0.534 397 HG3 MET 553 HG3 MET 553 2.450 8.915 -0.724 398 HE1 MET 553 HE1 MET 553 5.320 7.801 -3.140 399 HE2 MET 553 HE2 MET 553 3.725 8.369 -3.630 400 HE3 MET 553 HE3 MET 553 3.890 7.300 -2.238 401 H LYS 554 HN LYS 554 -1.793 11.466 -2.172 402 HA LYS 554 HA LYS 554 -2.751 11.010 -4.614 403 HB2 LYS 554 HB2 LYS 554 -2.991 13.793 -3.549 404 HB3 LYS 554 HB3 LYS 554 -4.215 12.783 -4.304 405 HG2 LYS 554 HG2 LYS 554 -3.084 12.447 -1.534 406 HG3 LYS 554 HG3 LYS 554 -4.680 13.065 -1.951 407 HD2 LYS 554 HD2 LYS 554 -5.180 10.866 -3.006 408 HD3 LYS 554 HD3 LYS 554 -3.632 10.265 -2.395 409 HE2 LYS 554 HE2 LYS 554 -5.466 9.635 -0.917 410 HE3 LYS 554 HE3 LYS 554 -4.351 10.734 -0.110 411 HZ1 LYS 554 HZ1 LYS 554 -6.920 11.548 -1.357 412 HZ2 LYS 554 HZ2 LYS 554 -5.874 12.540 -0.476 413 HZ3 LYS 554 HZ3 LYS 554 -6.691 11.281 0.296 414 H SER 555 HN SER 555 -0.045 13.136 -3.983 415 HA SER 555 HA SER 555 -0.384 14.795 -6.260 416 HB2 SER 555 HB2 SER 555 1.947 15.501 -5.728 417 HB3 SER 555 HB3 SER 555 0.868 15.570 -4.333 418 HG SER 555 HG SER 555 3.127 14.418 -4.328 419 H THR 556 HN THR 556 1.509 11.882 -5.575 420 HA THR 556 HA THR 556 2.540 11.897 -8.309 421 HB THR 556 HB THR 556 4.004 10.039 -7.497 422 HG1 THR 556 HG1 THR 556 3.896 10.297 -4.924 423 HG21 THR 556 HG21 THR 556 5.453 11.446 -6.140 424 HG22 THR 556 HG22 THR 556 4.114 12.550 -5.822 425 HG23 THR 556 HG23 THR 556 4.754 12.388 -7.457 426 H ASN 557 HN ASN 557 -0.148 10.818 -6.879 427 HA ASN 557 HA ASN 557 -1.683 9.173 -7.203 428 HB2 ASN 557 HB2 ASN 557 -0.151 8.725 -9.781 429 HB3 ASN 557 HB3 ASN 557 -1.728 8.041 -9.414 430 HD21 ASN 557 HD21 ASN 557 -2.627 10.535 -8.083 431 HD22 ASN 557 HD22 ASN 557 -2.946 11.649 -9.362 432 H GLN 558 HN GLN 558 0.403 8.585 -5.564 433 HA GLN 558 HA GLN 558 0.755 5.692 -5.913 434 HB2 GLN 558 HB2 GLN 558 3.000 7.602 -5.231 435 HB3 GLN 558 HB3 GLN 558 3.124 5.850 -5.259 436 HG2 GLN 558 HG2 GLN 558 2.800 5.807 -7.628 437 HG3 GLN 558 HG3 GLN 558 2.444 7.534 -7.654 438 HE21 GLN 558 HE21 GLN 558 4.101 8.023 -9.053 439 HE22 GLN 558 HE22 GLN 558 5.767 7.955 -8.594 440 H ALA 559 HN ALA 559 1.560 4.685 -3.774 441 HA ALA 559 HA ALA 559 1.114 6.286 -1.421 442 HB1 ALA 559 HB1 ALA 559 -0.762 4.953 -0.592 443 HB2 ALA 559 HB2 ALA 559 -0.833 4.109 -2.147 444 HB3 ALA 559 HB3 ALA 559 -1.167 5.844 -2.064 445 H PHE 560 HN PHE 560 1.302 5.005 0.563 446 HA PHE 560 HA PHE 560 3.012 2.609 0.221 447 HB2 PHE 560 HB2 PHE 560 3.091 4.697 2.406 448 HB3 PHE 560 HB3 PHE 560 4.009 3.201 2.437 449 HD1 PHE 560 HD1 PHE 560 5.831 2.837 0.822 450 HD2 PHE 560 HD2 PHE 560 3.807 6.568 1.140 451 HE1 PHE 560 HE1 PHE 560 7.691 3.945 -0.345 452 HE2 PHE 560 HE2 PHE 560 5.662 7.679 -0.031 453 HZ PHE 560 HZ PHE 560 7.609 6.368 -0.772 454 H LEU 561 HN LEU 561 2.675 0.854 1.557 455 HA LEU 561 HA LEU 561 0.421 0.981 3.431 456 HB2 LEU 561 HB2 LEU 561 -0.424 0.125 1.297 457 HB3 LEU 561 HB1 LEU 561 0.821 -1.106 1.285 458 HG LEU 561 HG LEU 561 -0.189 -2.119 3.304 459 HD11 LEU 561 HD11 LEU 561 -1.241 -0.133 4.239 460 HD12 LEU 561 HD12 LEU 561 -2.430 -1.412 3.996 461 HD13 LEU 561 HD13 LEU 561 -2.349 -0.058 2.868 462 HD21 LEU 561 HD21 LEU 561 -2.151 -1.767 1.039 463 HD22 LEU 561 HD22 LEU 561 -2.062 -3.119 2.166 464 HD23 LEU 561 HD23 LEU 561 -0.764 -2.855 1.002 465 H GLU 562 HN GLU 562 1.121 0.339 5.317 466 HA GLU 562 HA GLU 562 3.371 -1.536 5.495 467 HB2 GLU 562 HB2 GLU 562 2.866 0.815 6.819 468 HB3 GLU 562 HB3 GLU 562 2.367 -0.389 7.998 469 HG2 GLU 562 HG2 GLU 562 5.052 -0.351 6.642 470 HG3 GLU 562 HG3 GLU 562 4.722 0.365 8.216 471 H MET 563 HN MET 563 3.237 -3.468 6.512 472 HA MET 563 HA MET 563 0.516 -4.400 7.177 473 HB2 MET 563 HB2 MET 563 2.625 -5.951 5.662 474 HB3 MET 563 HB3 MET 563 0.950 -6.421 5.935 475 HG2 MET 563 HG2 MET 563 0.138 -4.774 4.468 476 HG3 MET 563 HG3 MET 563 1.688 -3.940 4.426 477 HE1 MET 563 HE1 MET 563 0.172 -4.457 1.783 478 HE2 MET 563 HE2 MET 563 1.408 -5.165 0.744 479 HE3 MET 563 HE3 MET 563 1.810 -3.802 1.789 480 H ALA 564 HN ALA 564 0.470 -6.159 8.717 481 HA ALA 564 HA ALA 564 2.365 -5.670 10.788 482 HB1 ALA 564 HB1 ALA 564 0.007 -6.075 11.262 483 HB2 ALA 564 HB2 ALA 564 1.034 -7.239 12.100 484 HB3 ALA 564 HB3 ALA 564 0.158 -7.721 10.647 485 H TYR 565 HN TYR 565 2.304 -7.844 8.204 486 HA TYR 565 HA TYR 565 4.527 -9.345 9.352 487 HB2 TYR 565 HB2 TYR 565 2.081 -10.613 8.099 488 HB3 TYR 565 HB3 TYR 565 3.573 -11.468 8.464 489 HD1 TYR 565 HD1 TYR 565 0.472 -10.157 9.800 490 HD2 TYR 565 HD2 TYR 565 4.253 -11.816 10.825 491 HE1 TYR 565 HE1 TYR 565 -0.364 -10.660 12.055 492 HE2 TYR 565 HE2 TYR 565 3.426 -12.324 13.083 493 HH TYR 565 HH TYR 565 1.681 -11.568 14.619 494 H THR 566 HN THR 566 6.009 -10.016 7.861 495 HA THR 566 HA THR 566 6.066 -8.675 5.353 496 HB THR 566 HB THR 566 8.163 -9.154 6.458 497 HG1 THR 566 HG1 THR 566 8.380 -10.891 4.284 498 HG21 THR 566 HG21 THR 566 9.043 -11.468 6.585 499 HG22 THR 566 HG22 THR 566 7.456 -12.063 6.094 500 HG23 THR 566 HG23 THR 566 7.640 -11.197 7.619 501 H GLU 567 HN GLU 567 4.994 -11.783 6.433 502 HA GLU 567 HA GLU 567 4.818 -13.189 4.033 503 HB2 GLU 567 HB2 GLU 567 3.239 -14.597 5.124 504 HB3 GLU 567 HB3 GLU 567 4.367 -14.067 6.361 505 HG2 GLU 567 HG2 GLU 567 2.703 -12.320 7.028 506 HG3 GLU 567 HG3 GLU 567 1.577 -13.051 5.884 507 H ALA 568 HN ALA 568 2.875 -10.610 5.326 508 HA ALA 568 HA ALA 568 0.640 -10.988 3.572 509 HB1 ALA 568 HB1 ALA 568 -0.116 -8.812 4.418 510 HB2 ALA 568 HB2 ALA 568 1.430 -8.599 5.239 511 HB3 ALA 568 HB3 ALA 568 0.343 -9.898 5.731 512 H ALA 569 HN ALA 569 3.502 -8.930 3.668 513 HA ALA 569 HA ALA 569 2.813 -7.257 1.517 514 HB1 ALA 569 HB1 ALA 569 5.157 -6.606 1.513 515 HB2 ALA 569 HB2 ALA 569 5.560 -7.996 2.521 516 HB3 ALA 569 HB3 ALA 569 4.546 -6.705 3.164 517 H GLN 570 HN GLN 570 4.761 -10.211 1.684 518 HA GLN 570 HA GLN 570 5.420 -10.179 -1.077 519 HB2 GLN 570 HB2 GLN 570 6.223 -12.467 -0.730 520 HB3 GLN 570 HB3 GLN 570 6.805 -11.384 0.525 521 HG2 GLN 570 HG2 GLN 570 5.108 -12.230 2.053 522 HG3 GLN 570 HG3 GLN 570 4.504 -13.305 0.793 523 HE21 GLN 570 HE21 GLN 570 4.920 -15.152 1.968 524 HE22 GLN 570 HE22 GLN 570 6.527 -15.729 2.254 525 H ALA 571 HN ALA 571 2.815 -11.609 0.805 526 HA ALA 571 HA ALA 571 1.778 -13.297 -1.191 527 HB1 ALA 571 HB1 ALA 571 0.305 -11.937 1.060 528 HB2 ALA 571 HB2 ALA 571 1.168 -13.470 1.177 529 HB3 ALA 571 HB3 ALA 571 -0.254 -13.337 0.142 530 H MET 572 HN MET 572 1.031 -9.937 -0.312 531 HA MET 572 HA MET 572 -1.043 -9.596 -2.195 532 HB2 MET 572 HB2 MET 572 0.795 -7.453 -1.119 533 HB3 MET 572 HB3 MET 572 -0.785 -7.208 -1.848 534 HG2 MET 572 HG2 MET 572 -1.723 -8.602 0.035 535 HG3 MET 572 HG3 MET 572 -0.134 -8.466 0.792 536 HE1 MET 572 HE1 MET 572 -0.631 -7.501 2.811 537 HE2 MET 572 HE2 MET 572 -2.382 -7.297 2.725 538 HE3 MET 572 HE3 MET 572 -1.354 -5.928 3.139 539 H VAL 573 HN VAL 573 2.440 -8.859 -2.347 540 HA VAL 573 HA VAL 573 2.422 -7.695 -4.889 541 HB VAL 573 HB VAL 573 4.646 -9.312 -3.625 542 HG11 VAL 573 HG11 VAL 573 4.982 -9.047 -6.019 543 HG12 VAL 573 HG12 VAL 573 6.127 -8.048 -5.124 544 HG13 VAL 573 HG13 VAL 573 4.717 -7.309 -5.881 545 HG21 VAL 573 HG21 VAL 573 5.547 -7.100 -2.975 546 HG22 VAL 573 HG22 VAL 573 4.011 -7.475 -2.195 547 HG23 VAL 573 HG23 VAL 573 4.058 -6.355 -3.556 548 H GLN 574 HN GLN 574 2.948 -11.092 -3.936 549 HA GLN 574 HA GLN 574 3.345 -12.104 -6.524 550 HB2 GLN 574 HB2 GLN 574 2.243 -13.428 -4.043 551 HB3 GLN 574 HB3 GLN 574 2.618 -14.300 -5.521 552 HG2 GLN 574 HG2 GLN 574 4.947 -13.674 -5.335 553 HG3 GLN 574 HG3 GLN 574 4.592 -12.718 -3.897 554 HE21 GLN 574 HE21 GLN 574 4.150 -13.763 -1.966 555 HE22 GLN 574 HE22 GLN 574 4.518 -15.426 -1.709 556 H TYR 575 HN TYR 575 0.428 -11.516 -4.676 557 HA TYR 575 HA TYR 575 -1.327 -12.874 -6.465 558 HB2 TYR 575 HB2 TYR 575 -2.035 -12.507 -4.186 559 HB3 TYR 575 HB3 TYR 575 -1.863 -10.764 -4.365 560 HD1 TYR 575 HD1 TYR 575 -3.761 -9.526 -4.775 561 HD2 TYR 575 HD2 TYR 575 -3.714 -13.622 -5.920 562 HE1 TYR 575 HE1 TYR 575 -6.109 -9.351 -5.473 563 HE2 TYR 575 HE2 TYR 575 -6.066 -13.457 -6.618 564 HH TYR 575 HH TYR 575 -7.656 -10.483 -7.007 565 H TYR 576 HN TYR 576 -0.637 -9.410 -5.947 566 HA TYR 576 HA TYR 576 -2.248 -8.625 -8.149 567 HB2 TYR 576 HB2 TYR 576 -0.235 -7.053 -6.544 568 HB3 TYR 576 HB3 TYR 576 -1.302 -6.352 -7.758 569 HD1 TYR 576 HD1 TYR 576 -3.870 -7.116 -7.390 570 HD2 TYR 576 HD2 TYR 576 -0.927 -6.843 -4.346 571 HE1 TYR 576 HE1 TYR 576 -5.646 -6.814 -5.719 572 HE2 TYR 576 HE2 TYR 576 -2.692 -6.551 -2.660 573 HH TYR 576 HH TYR 576 -6.026 -7.038 -3.385 574 H GLN 577 HN GLN 577 0.975 -9.771 -8.030 575 HA GLN 577 HA GLN 577 1.940 -8.592 -10.422 576 HB2 GLN 577 HB2 GLN 577 2.522 -11.265 -9.140 577 HB3 GLN 577 HB3 GLN 577 3.291 -10.750 -10.631 578 HG2 GLN 577 HG2 GLN 577 3.462 -9.206 -8.059 579 HG3 GLN 577 HG3 GLN 577 4.624 -10.439 -8.535 580 HE21 GLN 577 HE21 GLN 577 6.336 -9.076 -8.638 581 HE22 GLN 577 HE22 GLN 577 6.515 -7.861 -9.856 582 H GLU 578 HN GLU 578 0.049 -11.490 -9.749 583 HA GLU 578 HA GLU 578 -0.324 -12.009 -12.586 584 HB2 GLU 578 HB2 GLU 578 -1.399 -13.460 -10.167 585 HB3 GLU 578 HB3 GLU 578 -1.509 -14.018 -11.830 586 HG2 GLU 578 HG2 GLU 578 0.870 -14.263 -11.963 587 HG3 GLU 578 HG3 GLU 578 1.072 -13.545 -10.364 588 H LYS 579 HN LYS 579 -2.323 -11.055 -9.779 589 HA LYS 579 HA LYS 579 -4.379 -10.176 -11.694 590 HB2 LYS 579 HB2 LYS 579 -4.843 -11.317 -8.931 591 HB3 LYS 579 HB3 LYS 579 -6.085 -10.751 -10.033 592 HG2 LYS 579 HG2 LYS 579 -5.573 -12.552 -11.577 593 HG3 LYS 579 HG3 LYS 579 -4.265 -13.099 -10.525 594 HD2 LYS 579 HD2 LYS 579 -5.902 -13.500 -8.732 595 HD3 LYS 579 HD3 LYS 579 -7.198 -13.003 -9.822 596 HE2 LYS 579 HE2 LYS 579 -6.651 -14.848 -11.324 597 HE3 LYS 579 HE3 LYS 579 -5.334 -15.334 -10.256 598 HZ1 LYS 579 HZ1 LYS 579 -8.216 -15.297 -9.545 599 HZ2 LYS 579 HZ2 LYS 579 -6.960 -15.747 -8.510 600 HZ3 LYS 579 HZ3 LYS 579 -7.297 -16.677 -9.882 601 HA PRO 580 HA PRO 580 -2.906 -6.544 -9.236 602 HB2 PRO 580 HB2 PRO 580 -3.465 -4.736 -11.208 603 HB3 PRO 580 HB1 PRO 580 -1.935 -5.611 -11.091 604 HG2 PRO 580 HG2 PRO 580 -4.312 -6.175 -12.811 605 HG3 PRO 580 HG3 PRO 580 -2.587 -6.253 -13.216 606 HD2 PRO 580 HD2 PRO 580 -4.037 -8.460 -12.671 607 HD3 PRO 580 HD3 PRO 580 -2.321 -8.327 -12.236 608 H ALA 581 HN ALA 581 -4.087 -4.679 -8.446 609 HA ALA 581 HA ALA 581 -6.959 -5.211 -8.340 610 HB1 ALA 581 HB1 ALA 581 -6.993 -3.597 -6.515 611 HB2 ALA 581 HB2 ALA 581 -5.307 -3.186 -6.823 612 HB3 ALA 581 HB3 ALA 581 -5.730 -4.798 -6.243 613 H ILE 582 HN ILE 582 -8.466 -3.945 -9.320 614 HA ILE 582 HA ILE 582 -7.369 -1.850 -11.060 615 HB ILE 582 HB ILE 582 -9.924 -3.424 -11.401 616 HG12 ILE 582 HG12 ILE 582 -7.270 -3.685 -12.835 617 HG13 ILE 582 HG13 ILE 582 -7.882 -4.811 -11.628 618 HG21 ILE 582 HG21 ILE 582 -10.032 -1.226 -12.433 619 HG22 ILE 582 HG22 ILE 582 -9.929 -2.483 -13.665 620 HG23 ILE 582 HG23 ILE 582 -8.505 -1.524 -13.263 621 HD11 ILE 582 HD11 ILE 582 -8.191 -5.651 -13.889 622 HD12 ILE 582 HD12 ILE 582 -9.156 -4.231 -14.293 623 HD13 ILE 582 HD13 ILE 582 -9.740 -5.380 -13.091 624 H ILE 583 HN ILE 583 -7.814 0.170 -10.598 625 HA ILE 583 HA ILE 583 -10.412 0.839 -9.368 626 HB ILE 583 HB ILE 583 -7.740 2.157 -8.845 627 HG12 ILE 583 HG12 ILE 583 -8.203 0.081 -7.553 628 HG13 ILE 583 HG13 ILE 583 -8.078 1.512 -6.535 629 HG21 ILE 583 HG21 ILE 583 -8.947 3.729 -7.420 630 HG22 ILE 583 HG22 ILE 583 -10.477 2.990 -7.897 631 HG23 ILE 583 HG23 ILE 583 -9.494 3.831 -9.096 632 HD11 ILE 583 HD11 ILE 583 -9.885 0.114 -5.786 633 HD12 ILE 583 HD12 ILE 583 -10.615 0.144 -7.390 634 HD13 ILE 583 HD13 ILE 583 -10.529 1.623 -6.434 635 H ASN 584 HN ASN 584 -11.600 1.857 -10.842 636 HA ASN 584 HA ASN 584 -12.259 3.126 -12.603 637 HB2 ASN 584 HB2 ASN 584 -9.763 4.746 -12.047 638 HB3 ASN 584 HB3 ASN 584 -11.113 5.248 -13.053 639 HD21 ASN 584 HD21 ASN 584 -10.090 6.664 -10.893 640 HD22 ASN 584 HD22 ASN 584 -11.304 6.757 -9.658 641 H GLY 585 HN GLY 585 -10.608 0.836 -13.043 642 HA2 GLY 585 HA2 GLY 585 -9.937 -0.196 -14.995 643 HA3 GLY 585 HA3 GLY 585 -9.921 1.363 -15.796 644 H GLU 586 HN GLU 586 -8.170 1.658 -12.974 645 HA GLU 586 HA GLU 586 -5.670 1.326 -14.476 646 HB2 GLU 586 HB2 GLU 586 -6.250 2.840 -11.920 647 HB3 GLU 586 HB3 GLU 586 -4.677 2.749 -12.698 648 HG2 GLU 586 HG2 GLU 586 -7.137 3.903 -13.988 649 HG3 GLU 586 HG3 GLU 586 -5.919 4.850 -13.134 650 H LYS 587 HN LYS 587 -4.427 -0.344 -14.071 651 HA LYS 587 HA LYS 587 -4.903 -2.151 -11.920 652 HB2 LYS 587 HB2 LYS 587 -2.584 -2.009 -13.846 653 HB3 LYS 587 HB3 LYS 587 -2.957 -3.368 -12.797 654 HG2 LYS 587 HG2 LYS 587 -5.064 -3.708 -13.972 655 HG3 LYS 587 HG3 LYS 587 -4.706 -2.331 -15.017 656 HD2 LYS 587 HD2 LYS 587 -2.683 -3.488 -15.809 657 HD3 LYS 587 HD3 LYS 587 -3.097 -4.874 -14.800 658 HE2 LYS 587 HE2 LYS 587 -5.193 -5.137 -16.038 659 HE3 LYS 587 HE3 LYS 587 -4.758 -3.767 -17.057 660 HZ1 LYS 587 HZ1 LYS 587 -2.807 -5.010 -17.796 661 HZ2 LYS 587 HZ2 LYS 587 -4.241 -5.831 -18.155 662 HZ3 LYS 587 HZ3 LYS 587 -3.284 -6.334 -16.858 663 H LEU 588 HN LEU 588 -4.284 -1.864 -9.897 664 HA LEU 588 HA LEU 588 -2.224 0.008 -9.183 665 HB2 LEU 588 HB2 LEU 588 -3.650 -1.970 -7.413 666 HB3 LEU 588 HB1 LEU 588 -2.809 -0.516 -6.912 667 HG LEU 588 HG LEU 588 -5.386 -0.641 -8.476 668 HD11 LEU 588 HD11 LEU 588 -4.767 0.193 -5.651 669 HD12 LEU 588 HD12 LEU 588 -5.716 -1.202 -6.168 670 HD13 LEU 588 HD13 LEU 588 -6.317 0.429 -6.456 671 HD21 LEU 588 HD21 LEU 588 -4.079 1.249 -9.211 672 HD22 LEU 588 HD22 LEU 588 -3.787 1.733 -7.541 673 HD23 LEU 588 HD23 LEU 588 -5.419 1.801 -8.208 674 H LEU 589 HN LEU 589 -0.212 -0.428 -8.491 675 HA LEU 589 HA LEU 589 0.643 -3.246 -8.654 676 HB2 LEU 589 HB2 LEU 589 1.573 -1.784 -10.426 677 HB3 LEU 589 HB1 LEU 589 2.318 -0.791 -9.185 678 HG LEU 589 HG LEU 589 3.649 -2.764 -8.464 679 HD11 LEU 589 HD11 LEU 589 3.769 -4.683 -10.020 680 HD12 LEU 589 HD12 LEU 589 2.378 -4.027 -10.884 681 HD13 LEU 589 HD13 LEU 589 2.212 -4.544 -9.206 682 HD21 LEU 589 HD21 LEU 589 5.177 -2.746 -10.368 683 HD22 LEU 589 HD22 LEU 589 4.595 -1.122 -9.996 684 HD23 LEU 589 HD23 LEU 589 3.926 -2.008 -11.367 685 H ILE 590 HN ILE 590 0.901 -4.035 -6.672 686 HA ILE 590 HA ILE 590 2.049 -2.324 -4.584 687 HB ILE 590 HB ILE 590 0.760 -5.049 -4.318 688 HG12 ILE 590 HG12 ILE 590 -0.297 -2.266 -3.808 689 HG13 ILE 590 HG13 ILE 590 -0.925 -3.455 -4.939 690 HG21 ILE 590 HG21 ILE 590 1.658 -3.088 -2.208 691 HG22 ILE 590 HG22 ILE 590 2.413 -4.636 -2.583 692 HG23 ILE 590 HG23 ILE 590 0.785 -4.590 -1.907 693 HD11 ILE 590 HD11 ILE 590 -1.002 -3.634 -1.933 694 HD12 ILE 590 HD12 ILE 590 -1.586 -4.872 -3.051 695 HD13 ILE 590 HD13 ILE 590 -2.358 -3.287 -3.009 696 H ARG 591 HN ARG 591 4.175 -2.498 -4.190 697 HA ARG 591 HA ARG 591 5.485 -5.085 -4.388 698 HB2 ARG 591 HB2 ARG 591 6.246 -2.720 -6.094 699 HB3 ARG 591 HB3 ARG 591 7.378 -4.014 -5.723 700 HG2 ARG 591 HG2 ARG 591 5.781 -5.624 -6.726 701 HG3 ARG 591 HG3 ARG 591 4.766 -4.262 -7.199 702 HD2 ARG 591 HD2 ARG 591 6.620 -3.360 -8.526 703 HD3 ARG 591 HD3 ARG 591 7.611 -4.744 -8.065 704 HE ARG 591 HE ARG 591 5.250 -5.704 -9.210 705 HH11 ARG 591 HH11 ARG 591 8.136 -3.957 -10.131 706 HH12 ARG 591 HH12 ARG 591 8.080 -4.484 -11.784 707 HH21 ARG 591 HH21 ARG 591 5.176 -6.414 -11.389 708 HH22 ARG 591 HH22 ARG 591 6.400 -5.876 -12.498 709 H MET 592 HN MET 592 7.826 -4.879 -3.671 710 HA MET 592 HA MET 592 7.755 -3.457 -1.145 711 HB2 MET 592 HB2 MET 592 9.751 -5.397 -2.321 712 HB3 MET 592 HB3 MET 592 9.900 -4.680 -0.721 713 HG2 MET 592 HG2 MET 592 7.794 -5.711 -0.054 714 HG3 MET 592 HG3 MET 592 7.634 -6.422 -1.659 715 HE1 MET 592 HE1 MET 592 8.445 -9.400 0.842 716 HE2 MET 592 HE2 MET 592 7.246 -8.741 -0.272 717 HE3 MET 592 HE3 MET 592 7.586 -7.913 1.248 718 H SER 593 HN SER 593 9.281 -1.905 -0.482 719 HA SER 593 HA SER 593 10.166 -0.311 -2.755 720 HB2 SER 593 HB2 SER 593 9.925 0.460 0.150 721 HB3 SER 593 HB3 SER 593 10.214 1.555 -1.206 722 HG SER 593 HG SER 593 7.913 -0.046 -0.763 723 H THR 594 HN THR 594 12.135 0.381 -3.122 724 HA THR 594 HA THR 594 14.316 -1.076 -1.853 725 HB THR 594 HB THR 594 15.648 -0.072 -3.783 726 HG1 THR 594 HG1 THR 594 14.579 1.054 -5.286 727 HG21 THR 594 HG21 THR 594 14.758 -1.678 -5.397 728 HG22 THR 594 HG22 THR 594 13.286 -1.835 -4.441 729 HG23 THR 594 HG23 THR 594 14.827 -2.385 -3.783 730 H ARG 595 HN ARG 595 12.943 2.035 -1.617 731 HA ARG 595 HA ARG 595 15.563 3.322 -1.293 732 HB2 ARG 595 HB2 ARG 595 12.848 4.591 -1.637 733 HB3 ARG 595 HB3 ARG 595 14.385 5.441 -1.597 734 HG2 ARG 595 HG2 ARG 595 15.069 4.260 -3.636 735 HG3 ARG 595 HG3 ARG 595 13.498 3.455 -3.677 736 HD2 ARG 595 HD2 ARG 595 12.466 5.762 -3.707 737 HD3 ARG 595 HD3 ARG 595 14.090 6.388 -3.989 738 HE ARG 595 HE ARG 595 13.538 4.382 -5.877 739 HH11 ARG 595 HH11 ARG 595 12.612 7.657 -5.069 740 HH12 ARG 595 HH12 ARG 595 12.140 8.058 -6.689 741 HH21 ARG 595 HH21 ARG 595 12.944 4.910 -8.017 742 HH22 ARG 595 HH22 ARG 595 12.355 6.506 -8.374 743 H TYR 596 HN TYR 596 12.635 2.585 0.450 744 HA TYR 596 HA TYR 596 13.818 3.862 2.826 745 HB2 TYR 596 HB2 TYR 596 10.954 3.842 1.911 746 HB3 TYR 596 HB3 TYR 596 11.375 4.115 3.599 747 HD1 TYR 596 HD1 TYR 596 12.000 5.419 0.165 748 HD2 TYR 596 HD2 TYR 596 11.976 6.242 4.335 749 HE1 TYR 596 HE1 TYR 596 12.404 7.797 -0.308 750 HE2 TYR 596 HE2 TYR 596 12.379 8.621 3.874 751 HH TYR 596 HH TYR 596 13.267 10.036 2.144 752 H LYS 597 HN LYS 597 13.528 2.892 4.823 753 HA LYS 597 HA LYS 597 12.859 0.033 4.670 754 HB2 LYS 597 HB2 LYS 597 14.653 1.434 6.654 755 HB3 LYS 597 HB3 LYS 597 14.339 -0.294 6.589 756 HG2 LYS 597 HG2 LYS 597 15.710 1.332 4.453 757 HG3 LYS 597 HG3 LYS 597 16.497 0.265 5.617 758 HD2 LYS 597 HD2 LYS 597 15.491 -1.663 4.656 759 HD3 LYS 597 HD3 LYS 597 14.408 -0.684 3.665 760 HE2 LYS 597 HE2 LYS 597 16.286 0.160 2.395 761 HE3 LYS 597 HE3 LYS 597 17.412 -0.731 3.417 762 HZ1 LYS 597 HZ1 LYS 597 16.446 -2.790 2.620 763 HZ2 LYS 597 HZ2 LYS 597 17.009 -1.865 1.326 764 HZ3 LYS 597 HZ3 LYS 597 15.351 -1.940 1.655 765 H GLU 598 HN GLU 598 11.758 2.971 5.954 766 HA GLU 598 HA GLU 598 9.969 1.514 7.751 767 HB2 GLU 598 HB2 GLU 598 11.827 2.259 9.170 768 HB3 GLU 598 HB3 GLU 598 11.609 3.909 8.607 769 HG2 GLU 598 HG2 GLU 598 9.339 3.903 9.598 770 HG3 GLU 598 HG3 GLU 598 9.667 2.294 10.247 771 H LEU 599 HN LEU 599 8.042 2.551 8.196 772 HA LEU 599 HA LEU 599 7.465 4.942 6.573 773 HB2 LEU 599 HB2 LEU 599 5.581 2.734 7.402 774 HB3 LEU 599 HB1 LEU 599 5.110 4.183 6.533 775 HG LEU 599 HG LEU 599 6.898 1.972 5.527 776 HD11 LEU 599 HD11 LEU 599 4.537 1.433 5.466 777 HD12 LEU 599 HD12 LEU 599 5.153 1.709 3.835 778 HD13 LEU 599 HD13 LEU 599 4.196 2.953 4.639 779 HD21 LEU 599 HD21 LEU 599 7.032 3.214 3.450 780 HD22 LEU 599 HD22 LEU 599 7.724 4.148 4.773 781 HD23 LEU 599 HD23 LEU 599 6.114 4.539 4.160 782 H GLN 600 HN GLN 600 7.052 6.711 7.648 783 HA GLN 600 HA GLN 600 6.080 6.502 10.419 784 HB2 GLN 600 HB2 GLN 600 8.297 7.538 10.226 785 HB3 GLN 600 HB3 GLN 600 7.657 8.720 9.093 786 HG2 GLN 600 HG2 GLN 600 6.205 9.610 10.848 787 HG3 GLN 600 HG3 GLN 600 6.859 8.427 11.982 788 HE21 GLN 600 HE21 GLN 600 7.466 11.358 10.227 789 HE22 GLN 600 HE22 GLN 600 8.914 11.798 11.062 790 H LEU 601 HN LEU 601 4.158 7.454 10.924 791 HA LEU 601 HA LEU 601 2.601 8.504 8.728 792 HB2 LEU 601 HB2 LEU 601 1.894 8.074 11.629 793 HB3 LEU 601 HB1 LEU 601 0.770 8.632 10.407 794 HG LEU 601 HG LEU 601 2.106 5.931 10.536 795 HD11 LEU 601 HD11 LEU 601 -0.789 6.756 10.716 796 HD12 LEU 601 HD12 LEU 601 0.224 6.242 12.065 797 HD13 LEU 601 HD13 LEU 601 -0.171 5.106 10.776 798 HD21 LEU 601 HD21 LEU 601 0.306 7.089 8.414 799 HD22 LEU 601 HD22 LEU 601 0.764 5.391 8.537 800 HD23 LEU 601 HD23 LEU 601 1.994 6.615 8.221 801 H LYS 602 HN LYS 602 3.528 10.472 8.211 802 HA LYS 602 HA LYS 602 3.778 12.563 10.163 803 HB2 LYS 602 HB2 LYS 602 3.833 12.619 7.139 804 HB3 LYS 602 HB3 LYS 602 4.148 14.017 8.155 805 HG2 LYS 602 HG2 LYS 602 6.073 12.869 9.134 806 HG3 LYS 602 HG3 LYS 602 5.750 11.465 8.120 807 HD2 LYS 602 HD2 LYS 602 7.420 12.575 6.950 808 HD3 LYS 602 HD3 LYS 602 5.952 13.128 6.151 809 HE2 LYS 602 HE2 LYS 602 7.366 14.654 8.334 810 HE3 LYS 602 HE3 LYS 602 7.642 14.917 6.615 811 HZ1 LYS 602 HZ1 LYS 602 5.219 15.415 6.439 812 HZ2 LYS 602 HZ2 LYS 602 6.100 16.530 7.349 813 HZ3 LYS 602 HZ3 LYS 602 5.137 15.387 8.128 814 H LYS 603 HN LYS 603 1.258 11.231 8.321 815 HA LYS 603 HA LYS 603 -0.488 13.496 9.024 816 HB2 LYS 603 HB2 LYS 603 -0.700 11.642 6.640 817 HB3 LYS 603 HB3 LYS 603 -1.913 12.830 7.093 818 HG2 LYS 603 HG2 LYS 603 0.914 13.391 6.227 819 HG3 LYS 603 HG3 LYS 603 -0.557 13.683 5.296 820 HD2 LYS 603 HD2 LYS 603 -1.298 15.269 7.050 821 HD3 LYS 603 HD3 LYS 603 0.241 15.026 7.879 822 HE2 LYS 603 HE2 LYS 603 0.371 17.039 6.581 823 HE3 LYS 603 HE3 LYS 603 1.405 15.817 5.841 824 HZ1 LYS 603 HZ1 LYS 603 0.105 17.015 4.188 825 HZ2 LYS 603 HZ2 LYS 603 -1.333 16.538 4.938 826 HZ3 LYS 603 HZ3 LYS 603 -0.336 15.380 4.216 827 HA PRO 604 HA PRO 604 -2.599 10.527 11.487 828 HB2 PRO 604 HB2 PRO 604 -4.985 11.760 11.797 829 HB3 PRO 604 HB1 PRO 604 -3.511 12.321 12.601 830 HG2 PRO 604 HG2 PRO 604 -4.827 13.361 10.121 831 HG3 PRO 604 HG3 PRO 604 -4.104 14.263 11.466 832 HD2 PRO 604 HD2 PRO 604 -2.822 13.847 9.102 833 HD3 PRO 604 HD3 PRO 604 -1.968 14.016 10.649 834 H GLY 605 HN GLY 605 -4.377 9.082 11.511 835 HA2 GLY 605 HA2 GLY 605 -5.898 8.829 9.022 836 HA3 GLY 605 HA3 GLY 605 -4.941 7.466 9.596 837 H LYS 606 HN LYS 606 -7.525 6.992 9.336 838 HA LYS 606 HA LYS 606 -8.753 7.408 11.963 839 HB2 LYS 606 HB2 LYS 606 -9.961 6.256 9.442 840 HB3 LYS 606 HB3 LYS 606 -10.824 6.573 10.941 841 HG2 LYS 606 HG2 LYS 606 -10.169 8.994 10.662 842 HG3 LYS 606 HG3 LYS 606 -9.623 8.565 9.042 843 HD2 LYS 606 HD2 LYS 606 -12.417 8.168 10.107 844 HD3 LYS 606 HD3 LYS 606 -11.906 9.481 9.047 845 HE2 LYS 606 HE2 LYS 606 -11.223 7.766 7.374 846 HE3 LYS 606 HE3 LYS 606 -11.925 6.534 8.419 847 HZ1 LYS 606 HZ1 LYS 606 -14.064 7.700 8.230 848 HZ2 LYS 606 HZ2 LYS 606 -13.497 7.151 6.736 849 HZ3 LYS 606 HZ3 LYS 606 -13.369 8.789 7.137 850 H ASN 607 HN ASN 607 -10.121 5.378 12.686 851 HA ASN 607 HA ASN 607 -8.426 3.289 13.321 852 HB2 ASN 607 HB2 ASN 607 -10.464 3.720 14.558 853 HB3 ASN 607 HB3 ASN 607 -11.443 3.359 13.144 854 HD21 ASN 607 HD21 ASN 607 -12.580 1.780 14.229 855 HD22 ASN 607 HD22 ASN 607 -11.889 0.239 14.613 856 H VAL 608 HN VAL 608 -7.602 1.698 12.197 857 HA VAL 608 HA VAL 608 -8.389 1.269 9.465 858 HB VAL 608 HB VAL 608 -6.271 -0.107 11.130 859 HG11 VAL 608 HG11 VAL 608 -5.278 -0.760 8.974 860 HG12 VAL 608 HG12 VAL 608 -6.688 -0.096 8.152 861 HG13 VAL 608 HG13 VAL 608 -6.871 -1.477 9.227 862 HG21 VAL 608 HG21 VAL 608 -5.875 2.283 10.932 863 HG22 VAL 608 HG22 VAL 608 -6.056 2.187 9.180 864 HG23 VAL 608 HG23 VAL 608 -4.701 1.382 9.974 865 H ALA 609 HN ALA 609 -9.040 -0.218 12.514 866 HA ALA 609 HA ALA 609 -9.787 -2.797 11.608 867 HB1 ALA 609 HB1 ALA 609 -9.395 -2.279 13.972 868 HB2 ALA 609 HB2 ALA 609 -10.977 -3.013 13.718 869 HB3 ALA 609 HB3 ALA 609 -10.844 -1.275 13.988 870 H ALA 610 HN ALA 610 -11.506 0.254 11.831 871 HA ALA 610 HA ALA 610 -14.094 -0.703 11.237 872 HB1 ALA 610 HB1 ALA 610 -13.696 1.525 12.159 873 HB2 ALA 610 HB2 ALA 610 -14.617 1.612 10.657 874 HB3 ALA 610 HB3 ALA 610 -12.899 2.006 10.662 875 H ILE 611 HN ILE 611 -11.294 -0.048 9.328 876 HA ILE 611 HA ILE 611 -12.559 0.030 6.783 877 HB ILE 611 HB ILE 611 -9.693 -0.641 7.505 878 HG12 ILE 611 HG12 ILE 611 -10.948 1.956 6.582 879 HG13 ILE 611 HG13 ILE 611 -10.420 1.609 8.225 880 HG21 ILE 611 HG21 ILE 611 -10.308 -1.456 5.278 881 HG22 ILE 611 HG22 ILE 611 -9.172 -0.111 5.183 882 HG23 ILE 611 HG23 ILE 611 -10.883 0.156 4.848 883 HD11 ILE 611 HD11 ILE 611 -8.680 1.820 5.781 884 HD12 ILE 611 HD12 ILE 611 -8.110 1.353 7.382 885 HD13 ILE 611 HD13 ILE 611 -8.780 2.963 7.118 886 H ILE 612 HN ILE 612 -11.248 -2.533 8.842 887 HA ILE 612 HA ILE 612 -11.525 -4.695 7.098 888 HB ILE 612 HB ILE 612 -12.130 -4.721 10.068 889 HG12 ILE 612 HG12 ILE 612 -9.515 -5.310 8.668 890 HG13 ILE 612 HG13 ILE 612 -9.870 -3.815 9.529 891 HG21 ILE 612 HG21 ILE 612 -11.545 -7.100 9.931 892 HG22 ILE 612 HG22 ILE 612 -11.340 -6.942 8.186 893 HG23 ILE 612 HG23 ILE 612 -12.930 -6.705 8.912 894 HD11 ILE 612 HD11 ILE 612 -10.124 -5.084 11.601 895 HD12 ILE 612 HD12 ILE 612 -8.530 -5.316 10.883 896 HD13 ILE 612 HD13 ILE 612 -9.758 -6.573 10.731 897 H GLN 613 HN GLN 613 -13.878 -3.082 9.186 898 HA GLN 613 HA GLN 613 -16.090 -4.729 8.579 899 HB2 GLN 613 HB2 GLN 613 -16.020 -1.794 9.304 900 HB3 GLN 613 HB3 GLN 613 -17.472 -2.783 9.275 901 HG2 GLN 613 HG2 GLN 613 -15.088 -3.199 11.065 902 HG3 GLN 613 HG3 GLN 613 -16.633 -2.496 11.538 903 HE21 GLN 613 HE21 GLN 613 -14.931 -5.404 10.755 904 HE22 GLN 613 HE22 GLN 613 -16.159 -6.503 11.244 905 H ASP 614 HN ASP 614 -14.643 -2.019 6.938 906 HA ASP 614 HA ASP 614 -16.705 -1.590 5.029 907 HB2 ASP 614 HB2 ASP 614 -13.769 -0.899 4.983 908 HB3 ASP 614 HB3 ASP 614 -14.860 -0.490 3.663 909 H ILE 615 HN ILE 615 -13.735 -3.522 4.968 910 HA ILE 615 HA ILE 615 -13.962 -4.502 2.352 911 HB ILE 615 HB ILE 615 -12.766 -5.828 4.788 912 HG12 ILE 615 HG12 ILE 615 -11.427 -4.262 2.582 913 HG13 ILE 615 HG13 ILE 615 -11.890 -3.568 4.131 914 HG21 ILE 615 HG21 ILE 615 -13.227 -7.426 2.968 915 HG22 ILE 615 HG22 ILE 615 -11.500 -7.200 3.238 916 HG23 ILE 615 HG23 ILE 615 -12.287 -6.420 1.867 917 HD11 ILE 615 HD11 ILE 615 -10.421 -5.179 5.254 918 HD12 ILE 615 HD12 ILE 615 -9.564 -4.116 4.139 919 HD13 ILE 615 HD13 ILE 615 -9.918 -5.779 3.675 920 H HIS 616 HN HIS 616 -15.155 -5.797 5.427 921 HA HIS 616 HA HIS 616 -16.370 -8.112 4.381 922 HB2 HIS 616 HB2 HIS 616 -16.823 -6.508 6.884 923 HB3 HIS 616 HB3 HIS 616 -17.858 -7.876 6.493 924 HD1 HIS 616 HD1 HIS 616 -17.149 -9.693 8.010 925 HD2 HIS 616 HD2 HIS 616 -13.900 -7.706 6.345 926 HE1 HIS 616 HE1 HIS 616 -15.116 -10.953 8.783 927 HE2 HIS 616 HE2 HIS 616 -13.187 -9.852 7.593 928 H SER 617 HN SER 617 -17.420 -4.801 4.572 929 HA SER 617 HA SER 617 -20.139 -5.289 3.903 930 HB2 SER 617 HB2 SER 617 -19.387 -3.254 5.100 931 HB3 SER 617 HB3 SER 617 -18.521 -2.742 3.653 932 HG SER 617 HG SER 617 -20.819 -3.102 2.707 933 H GLN 618 HN GLN 618 -17.198 -5.008 2.112 934 HA GLN 618 HA GLN 618 -18.601 -4.461 -0.378 935 HB2 GLN 618 HB2 GLN 618 -15.656 -4.702 0.223 936 HB3 GLN 618 HB3 GLN 618 -16.324 -4.353 -1.364 937 HG2 GLN 618 HG2 GLN 618 -16.557 -2.653 1.106 938 HG3 GLN 618 HG3 GLN 618 -15.600 -2.310 -0.335 939 HE21 GLN 618 HE21 GLN 618 -16.659 -1.695 -2.238 940 HE22 GLN 618 HE22 GLN 618 -18.281 -1.098 -2.220 941 H ARG 619 HN ARG 619 -19.658 -6.242 -0.963 942 HA ARG 619 HA ARG 619 -18.052 -8.651 -1.514 943 HB2 ARG 619 HB2 ARG 619 -20.968 -8.444 -0.726 944 HB3 ARG 619 HB3 ARG 619 -20.197 -9.925 -1.272 945 HG2 ARG 619 HG2 ARG 619 -18.812 -10.015 0.641 946 HG3 ARG 619 HG3 ARG 619 -19.253 -8.377 1.122 947 HD2 ARG 619 HD2 ARG 619 -20.384 -10.105 2.467 948 HD3 ARG 619 HD3 ARG 619 -21.511 -9.074 1.592 949 HE ARG 619 HE ARG 619 -21.521 -11.004 -0.087 950 HH11 ARG 619 HH11 ARG 619 -21.060 -11.424 3.353 951 HH12 ARG 619 HH12 ARG 619 -21.831 -12.976 3.398 952 HH21 ARG 619 HH21 ARG 619 -22.534 -13.051 -0.042 953 HH22 ARG 619 HH22 ARG 619 -22.658 -13.914 1.458 954 H GLU 620 HN GLU 620 -17.589 -8.351 -3.648 955 HA GLU 620 HA GLU 620 -19.524 -7.156 -5.426 956 HB2 GLU 620 HB2 GLU 620 -17.030 -6.759 -5.535 957 HB3 GLU 620 HB3 GLU 620 -16.869 -8.394 -6.159 958 HG2 GLU 620 HG2 GLU 620 -16.829 -6.833 -7.980 959 HG3 GLU 620 HG3 GLU 620 -18.310 -7.784 -8.061 960 H ARG 621 HN ARG 621 -20.679 -9.354 -4.433 961 HA ARG 621 HA ARG 621 -21.468 -10.770 -6.723 962 HB2 ARG 621 HB2 ARG 621 -19.264 -11.898 -6.371 963 HB3 ARG 621 HB3 ARG 621 -19.821 -12.416 -4.787 964 HG2 ARG 621 HG2 ARG 621 -21.581 -13.734 -5.803 965 HG3 ARG 621 HG3 ARG 621 -21.109 -13.163 -7.404 966 HD2 ARG 621 HD2 ARG 621 -20.207 -15.370 -7.036 967 HD3 ARG 621 HD3 ARG 621 -18.893 -14.195 -7.087 968 HE ARG 621 HE ARG 621 -19.800 -14.694 -4.423 969 HH11 ARG 621 HH11 ARG 621 -17.779 -15.947 -6.990 970 HH12 ARG 621 HH12 ARG 621 -16.735 -16.824 -5.918 971 HH21 ARG 621 HH21 ARG 621 -18.442 -15.866 -3.006 972 HH22 ARG 621 HH22 ARG 621 -17.121 -16.786 -3.651 Start of MODEL 8 1 HO5' ADN 1 H5T ADE 1 7.582 1.101 -17.476 2 H5'1 ADN 1 H5' ADE 1 8.163 -0.444 -15.517 3 H5'2 ADN 1 H5'' ADE 1 6.775 0.468 -14.902 4 H4' ADN 1 H4' ADE 1 9.501 1.345 -15.530 5 H3' ADN 1 H3' ADE 1 8.169 1.461 -13.219 6 H2' ADN 1 H2' ADE 1 6.331 2.843 -13.990 7 HO2' ADN 1 HO2' ADE 1 7.473 3.929 -12.245 8 H1' ADN 1 H1' ADE 1 8.365 4.593 -15.474 9 H8 ADN 1 H8 ADE 1 5.303 2.634 -16.655 10 HN61 ADN 1 H61 ADE 1 2.661 6.435 -18.152 11 HN62 ADN 1 H62 ADE 1 2.906 8.165 -18.071 12 H2 ADN 1 H2 ADE 1 6.832 8.826 -16.012 13 H5' U 2 H5' URI 2 10.606 2.375 -9.648 14 H5'' U 2 H5'' URI 2 9.197 1.387 -9.225 15 H4' U 2 H4' URI 2 9.544 4.247 -9.191 16 H3' U 2 H3' URI 2 8.420 2.565 -7.436 17 H2' U 2 H2' URI 2 6.588 1.844 -8.829 18 HO2' U 2 HO2' URI 2 5.214 4.118 -8.049 19 H1' U 2 H1' URI 2 6.201 4.774 -9.663 20 H3 U 2 H3 URI 2 3.238 4.123 -12.881 21 H5 U 2 H5 URI 2 4.929 0.308 -12.451 22 H6 U 2 H6 URI 2 6.405 1.227 -10.788 23 H5' C 3 H5' CYT 3 8.145 8.767 -5.898 24 H5'' C 3 H5'' CYT 3 9.520 7.670 -6.124 25 H4' C 3 H4' CYT 3 7.306 7.580 -4.121 26 H3' C 3 H3' CYT 3 9.857 8.409 -3.761 27 H2' C 3 H2' CYT 3 10.943 6.318 -4.253 28 HO2' C 3 HO2' CYT 3 10.329 6.639 -1.561 29 H1' C 3 H1' CYT 3 8.651 4.893 -2.785 30 H41 C 3 H41 CYT 3 11.861 0.544 -6.619 31 H42 C 3 H42 CYT 3 11.089 -0.351 -5.329 32 H5 C 3 H5 CYT 3 11.674 2.952 -6.848 33 H6 C 3 H6 CYT 3 10.724 4.975 -5.878 34 H5' U 4 H5' URI 4 6.752 11.130 -1.794 35 H5'' U 4 H5'' URI 4 7.908 11.548 -0.517 36 H4' U 4 H4' URI 4 5.069 11.219 -0.385 37 H3' U 4 H3' URI 4 6.804 12.929 0.800 38 H2' U 4 H2' URI 4 7.733 11.331 2.367 39 HO2' U 4 HO2' URI 4 6.153 11.508 4.298 40 H1' U 4 H1' URI 4 4.866 10.256 2.688 41 H3 U 4 H3 URI 4 6.938 8.126 6.201 42 H5 U 4 H5 URI 4 8.303 6.264 2.696 43 H6 U 4 H6 URI 4 7.293 8.058 1.444 44 H5' U 5 H5' URI 5 2.963 12.678 -0.769 45 H5'' U 5 H5'' URI 5 2.256 14.197 -1.356 46 H4' U 5 H4' URI 5 0.437 12.822 -0.941 47 H3' U 5 H3' URI 5 0.504 15.143 0.467 48 H2' U 5 H2' URI 5 1.281 14.198 2.550 49 HO2' U 5 HO2' URI 5 -1.504 13.578 2.653 50 H1' U 5 H1' URI 5 -0.543 11.790 1.957 51 H3 U 5 H3 URI 5 0.505 9.707 5.739 52 H5 U 5 H5 URI 5 4.198 11.266 4.495 53 H6 U 5 H6 URI 5 3.048 12.343 2.675 54 H5' A 6 H5' ADE 6 -3.721 15.991 -2.036 55 H5'' A 6 H5'' ADE 6 -2.554 16.081 -3.368 56 H4' A 6 H4' ADE 6 -3.493 18.140 -1.524 57 H3' A 6 H3' ADE 6 -3.459 18.091 -4.195 58 HO3' A 6 H3T ADE 6 -2.836 20.504 -2.953 59 H2' A 6 H2' ADE 6 -1.062 17.945 -4.480 60 HO2' A 6 HO2' ADE 6 -2.059 20.073 -5.282 61 H1' A 6 H1' ADE 6 -0.724 20.047 -2.271 62 H8 A 6 H8 ADE 6 1.327 19.146 -4.668 63 H61 A 6 H61 ADE 6 5.244 17.214 -2.535 64 H62 A 6 H62 ADE 6 5.538 16.551 -0.942 65 H2 A 6 H2 ADE 6 1.689 16.888 1.328 66 H1 GLY 510 HT1 GLY 510 19.613 -4.118 -6.452 67 H2 GLY 510 HT2 GLY 510 20.270 -2.737 -5.737 68 H3 GLY 510 HT3 GLY 510 18.604 -3.002 -5.686 69 HA2 GLY 510 HA3 GLY 510 20.648 -4.687 -4.366 70 HA3 GLY 510 HA2 GLY 510 19.644 -3.493 -3.556 71 H ALA 511 HN ALA 511 19.911 -6.475 -3.317 72 HA ALA 511 HA ALA 511 17.092 -7.006 -3.027 73 HB1 ALA 511 HB1 ALA 511 18.742 -8.741 -4.869 74 HB2 ALA 511 HB2 ALA 511 17.446 -7.654 -5.367 75 HB3 ALA 511 HB3 ALA 511 17.083 -9.055 -4.359 76 H MET 512 HN MET 512 16.695 -8.842 -1.700 77 HA MET 512 HA MET 512 17.071 -10.385 -0.087 78 HB2 MET 512 HB2 MET 512 18.659 -11.492 -1.542 79 HB3 MET 512 HB3 MET 512 19.919 -10.355 -1.087 80 HG2 MET 512 HG2 MET 512 19.905 -11.192 1.180 81 HG3 MET 512 HG3 MET 512 18.576 -12.284 0.792 82 HE1 MET 512 HE1 MET 512 21.593 -14.729 1.286 83 HE2 MET 512 HE2 MET 512 19.951 -14.320 1.782 84 HE3 MET 512 HE3 MET 512 21.286 -13.236 2.174 85 H ALA 513 HN ALA 513 19.639 -7.935 -0.224 86 HA ALA 513 HA ALA 513 19.970 -7.922 2.638 87 HB1 ALA 513 HB1 ALA 513 21.570 -6.135 2.239 88 HB2 ALA 513 HB2 ALA 513 21.050 -6.031 0.557 89 HB3 ALA 513 HB3 ALA 513 21.854 -7.488 1.142 90 H GLN 514 HN GLN 514 17.329 -7.387 1.668 91 HA GLN 514 HA GLN 514 16.899 -4.575 2.358 92 HB2 GLN 514 HB2 GLN 514 14.975 -6.644 1.274 93 HB3 GLN 514 HB3 GLN 514 14.609 -4.944 1.544 94 HG2 GLN 514 HG2 GLN 514 16.162 -4.282 -0.155 95 HG3 GLN 514 HG3 GLN 514 16.713 -5.944 -0.356 96 HE21 GLN 514 HE21 GLN 514 15.576 -4.115 -2.303 97 HE22 GLN 514 HE22 GLN 514 14.181 -4.904 -2.942 98 H ARG 515 HN ARG 515 15.883 -3.998 4.220 99 HA ARG 515 HA ARG 515 15.668 -6.015 6.253 100 HB2 ARG 515 HB2 ARG 515 14.890 -3.096 6.386 101 HB3 ARG 515 HB3 ARG 515 15.081 -4.184 7.753 102 HG2 ARG 515 HG2 ARG 515 17.221 -3.161 5.914 103 HG3 ARG 515 HG3 ARG 515 17.019 -2.825 7.632 104 HD2 ARG 515 HD2 ARG 515 17.423 -5.210 8.113 105 HD3 ARG 515 HD3 ARG 515 17.699 -5.490 6.395 106 HE ARG 515 HE ARG 515 19.358 -3.515 7.779 107 HH11 ARG 515 HH11 ARG 515 19.093 -6.661 6.239 108 HH12 ARG 515 HH12 ARG 515 20.809 -6.874 6.118 109 HH21 ARG 515 HH21 ARG 515 21.597 -3.813 7.627 110 HH22 ARG 515 HH22 ARG 515 22.233 -5.268 6.925 111 H LYS 516 HN LYS 516 13.958 -7.201 6.634 112 HA LYS 516 HA LYS 516 11.287 -6.112 6.114 113 HB2 LYS 516 HB2 LYS 516 12.213 -8.853 5.217 114 HB3 LYS 516 HB3 LYS 516 10.575 -8.231 5.086 115 HG2 LYS 516 HG2 LYS 516 12.950 -6.985 3.723 116 HG3 LYS 516 HG3 LYS 516 11.892 -8.178 2.972 117 HD2 LYS 516 HD2 LYS 516 10.028 -6.716 3.060 118 HD3 LYS 516 HD3 LYS 516 10.870 -5.596 4.134 119 HE2 LYS 516 HE2 LYS 516 10.746 -4.782 1.806 120 HE3 LYS 516 HE3 LYS 516 12.403 -4.991 2.368 121 HZ1 LYS 516 HZ1 LYS 516 10.895 -6.840 0.600 122 HZ2 LYS 516 HZ2 LYS 516 12.443 -7.141 1.203 123 HZ3 LYS 516 HZ3 LYS 516 12.188 -5.844 0.150 124 H GLY 517 HN GLY 517 13.049 -6.723 8.456 125 HA2 GLY 517 HA2 GLY 517 11.826 -8.956 9.798 126 HA3 GLY 517 HA3 GLY 517 12.956 -7.805 10.498 127 H ALA 518 HN ALA 518 12.171 -5.815 11.296 128 HA ALA 518 HA ALA 518 9.321 -5.904 11.999 129 HB1 ALA 518 HB1 ALA 518 11.571 -4.379 13.302 130 HB2 ALA 518 HB2 ALA 518 10.839 -5.867 13.904 131 HB3 ALA 518 HB3 ALA 518 9.890 -4.383 13.833 132 H GLY 519 HN GLY 519 11.346 -4.531 9.850 133 HA2 GLY 519 HA2 GLY 519 9.615 -2.158 9.552 134 HA3 GLY 519 HA3 GLY 519 11.344 -2.118 9.211 135 H ARG 520 HN ARG 520 8.204 -3.065 8.028 136 HA ARG 520 HA ARG 520 9.519 -3.763 5.483 137 HB2 ARG 520 HB2 ARG 520 6.711 -4.400 6.418 138 HB3 ARG 520 HB3 ARG 520 7.325 -4.744 4.813 139 HG2 ARG 520 HG2 ARG 520 7.423 -6.777 5.961 140 HG3 ARG 520 HG3 ARG 520 9.081 -6.182 5.954 141 HD2 ARG 520 HD2 ARG 520 8.307 -7.132 8.140 142 HD3 ARG 520 HD3 ARG 520 8.924 -5.481 8.223 143 HE ARG 520 HE ARG 520 6.223 -5.200 7.875 144 HH11 ARG 520 HH11 ARG 520 8.218 -6.889 10.213 145 HH12 ARG 520 HH12 ARG 520 7.106 -6.629 11.521 146 HH21 ARG 520 HH21 ARG 520 4.783 -4.846 9.599 147 HH22 ARG 520 HH22 ARG 520 5.176 -5.445 11.178 148 H VAL 521 HN VAL 521 9.254 -2.464 3.816 149 HA VAL 521 HA VAL 521 7.091 -0.478 3.942 150 HB VAL 521 HB VAL 521 9.732 -0.140 2.536 151 HG11 VAL 521 HG11 VAL 521 8.058 0.918 1.227 152 HG12 VAL 521 HG12 VAL 521 8.869 2.180 2.154 153 HG13 VAL 521 HG13 VAL 521 7.288 1.590 2.658 154 HG21 VAL 521 HG21 VAL 521 8.572 1.312 4.900 155 HG22 VAL 521 HG22 VAL 521 10.148 1.592 4.161 156 HG23 VAL 521 HG23 VAL 521 9.819 0.072 4.987 157 H VAL 522 HN VAL 522 5.549 -0.712 2.534 158 HA VAL 522 HA VAL 522 6.123 -2.159 0.037 159 HB VAL 522 HB VAL 522 3.511 -2.233 1.557 160 HG11 VAL 522 HG11 VAL 522 4.524 -3.779 -0.817 161 HG12 VAL 522 HG12 VAL 522 3.198 -2.615 -0.787 162 HG13 VAL 522 HG13 VAL 522 3.043 -4.155 0.061 163 HG21 VAL 522 HG21 VAL 522 4.114 -4.544 2.161 164 HG22 VAL 522 HG22 VAL 522 5.195 -3.350 2.880 165 HG23 VAL 522 HG23 VAL 522 5.718 -4.283 1.477 166 H HIS 523 HN HIS 523 5.774 -0.875 -1.727 167 HA HIS 523 HA HIS 523 4.221 1.581 -1.295 168 HB2 HIS 523 HB2 HIS 523 6.633 1.798 -1.926 169 HB3 HIS 523 HB3 HIS 523 6.283 0.949 -3.426 170 HD1 HIS 523 HD1 HIS 523 5.878 2.450 -5.358 171 HD2 HIS 523 HD2 HIS 523 4.979 4.305 -1.750 172 HE1 HIS 523 HE1 HIS 523 5.276 4.815 -5.945 173 HE2 HIS 523 HE2 HIS 523 4.908 5.956 -3.729 174 H ILE 524 HN ILE 524 2.483 1.974 -2.491 175 HA ILE 524 HA ILE 524 1.754 0.038 -4.587 176 HB ILE 524 HB ILE 524 -0.101 1.788 -2.951 177 HG12 ILE 524 HG12 ILE 524 0.602 -1.139 -2.637 178 HG13 ILE 524 HG13 ILE 524 0.965 0.153 -1.503 179 HG21 ILE 524 HG21 ILE 524 -1.059 1.230 -5.085 180 HG22 ILE 524 HG22 ILE 524 -1.853 0.261 -3.843 181 HG23 ILE 524 HG23 ILE 524 -0.630 -0.466 -4.884 182 HD11 ILE 524 HD11 ILE 524 -0.913 -1.230 -0.782 183 HD12 ILE 524 HD12 ILE 524 -1.797 -0.778 -2.243 184 HD13 ILE 524 HD13 ILE 524 -1.385 0.449 -1.045 185 H CYS 525 HN CYS 525 1.033 0.880 -6.560 186 HA CYS 525 HA CYS 525 1.083 3.785 -6.840 187 HB2 CYS 525 HB2 CYS 525 2.477 3.512 -8.932 188 HB3 CYS 525 HB3 CYS 525 3.322 3.252 -7.410 189 HG CYS 525 HG CYS 525 2.689 0.326 -7.809 190 H ASN 526 HN ASN 526 0.271 4.532 -8.866 191 HA ASN 526 HA ASN 526 -0.901 4.487 -10.834 192 HB2 ASN 526 HB2 ASN 526 -1.414 1.557 -10.272 193 HB3 ASN 526 HB3 ASN 526 -1.987 2.418 -11.695 194 HD21 ASN 526 HD21 ASN 526 -0.285 0.125 -11.607 195 HD22 ASN 526 HD22 ASN 526 1.219 0.575 -12.342 196 H LEU 527 HN LEU 527 -1.768 5.060 -8.134 197 HA LEU 527 HA LEU 527 -4.592 4.388 -8.095 198 HB2 LEU 527 HB2 LEU 527 -2.843 6.071 -6.304 199 HB3 LEU 527 HB1 LEU 527 -4.575 5.947 -6.087 200 HG LEU 527 HG LEU 527 -2.719 3.567 -5.999 201 HD11 LEU 527 HD11 LEU 527 -3.831 5.221 -3.734 202 HD12 LEU 527 HD12 LEU 527 -2.135 5.082 -4.192 203 HD13 LEU 527 HD13 LEU 527 -2.994 3.678 -3.552 204 HD21 LEU 527 HD21 LEU 527 -5.054 3.073 -6.529 205 HD22 LEU 527 HD22 LEU 527 -5.568 3.966 -5.099 206 HD23 LEU 527 HD23 LEU 527 -4.624 2.487 -4.924 207 HA PRO 528 HA PRO 528 -5.365 7.983 -10.633 208 HB2 PRO 528 HB2 PRO 528 -8.205 7.546 -10.148 209 HB3 PRO 528 HB1 PRO 528 -7.297 7.379 -11.650 210 HG2 PRO 528 HG2 PRO 528 -8.340 5.263 -10.297 211 HG3 PRO 528 HG3 PRO 528 -6.890 5.152 -11.308 212 HD2 PRO 528 HD2 PRO 528 -7.120 5.328 -8.333 213 HD3 PRO 528 HD3 PRO 528 -5.992 4.382 -9.328 214 H GLU 529 HN GLU 529 -5.507 10.057 -10.102 215 HA GLU 529 HA GLU 529 -5.998 10.930 -7.461 216 HB2 GLU 529 HB2 GLU 529 -4.527 12.157 -8.931 217 HB3 GLU 529 HB3 GLU 529 -5.843 12.431 -10.069 218 HG2 GLU 529 HG2 GLU 529 -6.992 13.799 -8.397 219 HG3 GLU 529 HG3 GLU 529 -5.655 13.535 -7.279 220 H GLY 530 HN GLY 530 -7.799 11.924 -6.537 221 HA2 GLY 530 HA2 GLY 530 -10.040 12.554 -6.409 222 HA3 GLY 530 HA3 GLY 530 -10.211 12.202 -8.125 223 H SER 531 HN SER 531 -8.609 9.741 -6.578 224 HA SER 531 HA SER 531 -10.944 8.175 -5.935 225 HB2 SER 531 HB2 SER 531 -9.142 7.476 -8.269 226 HB3 SER 531 HB3 SER 531 -10.395 6.422 -7.603 227 HG SER 531 HG SER 531 -11.499 8.786 -8.081 228 H CYS 532 HN CYS 532 -7.994 9.156 -5.199 229 HA CYS 532 HA CYS 532 -6.846 6.616 -4.350 230 HB2 CYS 532 HB2 CYS 532 -5.881 9.441 -3.830 231 HB3 CYS 532 HB3 CYS 532 -4.981 7.966 -3.507 232 HG CYS 532 HG CYS 532 -5.939 8.310 -6.699 233 H THR 533 HN THR 533 -8.460 5.946 -2.833 234 HA THR 533 HA THR 533 -8.859 7.770 -0.564 235 HB THR 533 HB THR 533 -10.744 6.425 0.071 236 HG1 THR 533 HG1 THR 533 -10.894 4.600 -1.891 237 HG21 THR 533 HG21 THR 533 -12.170 6.523 -1.932 238 HG22 THR 533 HG22 THR 533 -10.736 6.752 -2.933 239 HG23 THR 533 HG23 THR 533 -11.194 7.980 -1.754 240 H GLU 534 HN GLU 534 -8.470 7.032 1.550 241 HA GLU 534 HA GLU 534 -6.315 5.232 1.887 242 HB2 GLU 534 HB2 GLU 534 -8.259 6.157 4.010 243 HB3 GLU 534 HB3 GLU 534 -6.620 5.571 4.248 244 HG2 GLU 534 HG2 GLU 534 -5.724 7.533 3.056 245 HG3 GLU 534 HG3 GLU 534 -7.380 8.105 2.805 246 H ASN 535 HN ASN 535 -9.737 5.002 1.928 247 HA ASN 535 HA ASN 535 -10.069 2.580 3.293 248 HB2 ASN 535 HB2 ASN 535 -11.972 3.955 3.031 249 HB3 ASN 535 HB3 ASN 535 -11.752 4.069 1.289 250 HD21 ASN 535 HD21 ASN 535 -12.770 2.012 3.917 251 HD22 ASN 535 HD22 ASN 535 -13.688 0.902 2.950 252 H ASP 536 HN ASP 536 -9.736 3.189 -0.245 253 HA ASP 536 HA ASP 536 -10.261 0.448 -0.898 254 HB2 ASP 536 HB2 ASP 536 -9.173 2.769 -2.482 255 HB3 ASP 536 HB3 ASP 536 -9.266 1.150 -3.166 256 H VAL 537 HN VAL 537 -7.421 2.412 -0.630 257 HA VAL 537 HA VAL 537 -5.499 0.564 -1.529 258 HB VAL 537 HB VAL 537 -5.077 2.758 0.528 259 HG11 VAL 537 HG11 VAL 537 -3.125 1.609 -1.456 260 HG12 VAL 537 HG12 VAL 537 -3.198 1.136 0.244 261 HG13 VAL 537 HG13 VAL 537 -2.797 2.800 -0.197 262 HG21 VAL 537 HG21 VAL 537 -6.165 3.677 -1.410 263 HG22 VAL 537 HG22 VAL 537 -5.037 2.849 -2.484 264 HG23 VAL 537 HG23 VAL 537 -4.464 4.142 -1.433 265 H ILE 538 HN ILE 538 -6.608 1.332 1.747 266 HA ILE 538 HA ILE 538 -5.154 -0.737 3.015 267 HB ILE 538 HB ILE 538 -7.567 0.810 3.940 268 HG12 ILE 538 HG12 ILE 538 -4.634 0.993 4.647 269 HG13 ILE 538 HG13 ILE 538 -5.523 2.129 3.636 270 HG21 ILE 538 HG21 ILE 538 -7.560 -1.295 5.094 271 HG22 ILE 538 HG22 ILE 538 -6.961 -0.050 6.191 272 HG23 ILE 538 HG23 ILE 538 -5.832 -1.160 5.413 273 HD11 ILE 538 HD11 ILE 538 -6.917 2.745 5.524 274 HD12 ILE 538 HD12 ILE 538 -5.207 2.973 5.898 275 HD13 ILE 538 HD13 ILE 538 -6.072 1.575 6.541 276 H ASN 539 HN ASN 539 -8.400 -0.608 1.577 277 HA ASN 539 HA ASN 539 -9.364 -3.030 2.550 278 HB2 ASN 539 HB2 ASN 539 -9.873 -1.777 -0.152 279 HB3 ASN 539 HB3 ASN 539 -10.687 -3.227 0.418 280 HD21 ASN 539 HD21 ASN 539 -10.832 -2.138 3.186 281 HD22 ASN 539 HD22 ASN 539 -12.107 -0.989 3.128 282 H LEU 540 HN LEU 540 -6.996 -2.399 0.065 283 HA LEU 540 HA LEU 540 -6.896 -5.116 -0.838 284 HB2 LEU 540 HB2 LEU 540 -4.862 -2.892 -1.003 285 HB3 LEU 540 HB1 LEU 540 -4.756 -4.415 -1.862 286 HG LEU 540 HG LEU 540 -6.832 -2.266 -2.272 287 HD11 LEU 540 HD11 LEU 540 -4.570 -3.257 -3.995 288 HD12 LEU 540 HD12 LEU 540 -4.682 -1.688 -3.195 289 HD13 LEU 540 HD13 LEU 540 -5.801 -2.099 -4.492 290 HD21 LEU 540 HD21 LEU 540 -7.853 -4.441 -2.582 291 HD22 LEU 540 HD22 LEU 540 -6.523 -4.945 -3.624 292 HD23 LEU 540 HD23 LEU 540 -7.614 -3.660 -4.144 293 H GLY 541 HN GLY 541 -5.022 -3.127 1.427 294 HA2 GLY 541 HA2 GLY 541 -3.125 -4.986 2.203 295 HA3 GLY 541 HA3 GLY 541 -3.703 -3.666 3.207 296 H LEU 542 HN LEU 542 -6.284 -4.472 3.749 297 HA LEU 542 HA LEU 542 -5.629 -5.950 6.042 298 HB2 LEU 542 HB2 LEU 542 -8.232 -5.019 4.915 299 HB3 LEU 542 HB1 LEU 542 -8.147 -5.926 6.413 300 HG LEU 542 HG LEU 542 -6.664 -3.342 5.950 301 HD11 LEU 542 HD11 LEU 542 -9.297 -3.814 7.334 302 HD12 LEU 542 HD12 LEU 542 -9.056 -2.938 5.825 303 HD13 LEU 542 HD13 LEU 542 -8.397 -2.299 7.330 304 HD21 LEU 542 HD21 LEU 542 -7.280 -4.914 8.446 305 HD22 LEU 542 HD22 LEU 542 -6.439 -3.366 8.383 306 HD23 LEU 542 HD23 LEU 542 -5.709 -4.798 7.658 307 HA PRO 543 HA PRO 543 -8.297 -9.591 4.209 308 HB2 PRO 543 HB2 PRO 543 -7.412 -9.373 1.374 309 HB3 PRO 543 HB1 PRO 543 -8.978 -9.870 2.035 310 HG2 PRO 543 HG2 PRO 543 -8.732 -7.476 0.961 311 HG3 PRO 543 HG3 PRO 543 -9.613 -7.660 2.494 312 HD2 PRO 543 HD2 PRO 543 -6.787 -6.740 2.045 313 HD3 PRO 543 HD3 PRO 543 -8.048 -6.024 3.073 314 H PHE 544 HN PHE 544 -5.064 -8.697 3.011 315 HA PHE 544 HA PHE 544 -4.267 -11.507 3.160 316 HB2 PHE 544 HB2 PHE 544 -2.710 -9.101 2.203 317 HB3 PHE 544 HB3 PHE 544 -2.189 -10.778 2.085 318 HD1 PHE 544 HD1 PHE 544 -3.420 -12.330 0.561 319 HD2 PHE 544 HD2 PHE 544 -4.127 -8.134 0.613 320 HE1 PHE 544 HE1 PHE 544 -4.488 -12.486 -1.654 321 HE2 PHE 544 HE2 PHE 544 -5.204 -8.282 -1.591 322 HZ PHE 544 HZ PHE 544 -5.383 -10.460 -2.729 323 H GLY 545 HN GLY 545 -4.204 -8.697 5.072 324 HA2 GLY 545 HA2 GLY 545 -2.771 -9.929 7.175 325 HA3 GLY 545 HA3 GLY 545 -1.708 -8.829 6.314 326 H LYS 546 HN LYS 546 -1.766 -7.888 8.609 327 HA LYS 546 HA LYS 546 -4.204 -6.319 9.068 328 HB2 LYS 546 HB2 LYS 546 -3.346 -7.642 10.981 329 HB3 LYS 546 HB3 LYS 546 -1.842 -6.736 10.912 330 HG2 LYS 546 HG2 LYS 546 -3.082 -4.669 11.389 331 HG3 LYS 546 HG3 LYS 546 -4.570 -5.607 11.500 332 HD2 LYS 546 HD2 LYS 546 -3.749 -5.200 13.719 333 HD3 LYS 546 HD3 LYS 546 -3.544 -6.911 13.351 334 HE2 LYS 546 HE2 LYS 546 -1.196 -6.552 12.869 335 HE3 LYS 546 HE3 LYS 546 -1.384 -4.819 13.127 336 HZ1 LYS 546 HZ1 LYS 546 -0.426 -5.858 15.059 337 HZ2 LYS 546 HZ2 LYS 546 -1.717 -6.941 15.176 338 HZ3 LYS 546 HZ3 LYS 546 -1.973 -5.292 15.441 339 H VAL 547 HN VAL 547 -4.228 -4.249 8.436 340 HA VAL 547 HA VAL 547 -1.778 -2.956 7.635 341 HB VAL 547 HB VAL 547 -4.655 -2.035 7.613 342 HG11 VAL 547 HG11 VAL 547 -2.285 -0.667 6.343 343 HG12 VAL 547 HG12 VAL 547 -3.072 -0.136 7.829 344 HG13 VAL 547 HG13 VAL 547 -3.970 -0.134 6.310 345 HG21 VAL 547 HG21 VAL 547 -4.406 -2.301 5.166 346 HG22 VAL 547 HG22 VAL 547 -4.250 -3.811 6.058 347 HG23 VAL 547 HG23 VAL 547 -2.811 -3.001 5.441 348 H THR 548 HN THR 548 -0.537 -2.101 9.141 349 HA THR 548 HA THR 548 -1.707 -0.942 11.532 350 HB THR 548 HB THR 548 0.735 -0.665 12.174 351 HG1 THR 548 HG1 THR 548 2.095 -0.955 10.571 352 HG21 THR 548 HG21 THR 548 1.037 -3.059 12.648 353 HG22 THR 548 HG22 THR 548 -0.257 -3.442 11.512 354 HG23 THR 548 HG23 THR 548 -0.615 -2.538 12.982 355 H ASN 549 HN ASN 549 0.042 0.001 8.663 356 HA ASN 549 HA ASN 549 -0.564 2.806 9.228 357 HB2 ASN 549 HB2 ASN 549 2.194 1.720 8.663 358 HB3 ASN 549 HB3 ASN 549 1.779 3.396 8.368 359 HD21 ASN 549 HD21 ASN 549 3.764 2.421 10.115 360 HD22 ASN 549 HD22 ASN 549 3.336 2.970 11.697 361 H TYR 550 HN TYR 550 -0.408 4.172 7.369 362 HA TYR 550 HA TYR 550 -0.098 3.023 4.753 363 HB2 TYR 550 HB2 TYR 550 -2.425 3.546 4.046 364 HB3 TYR 550 HB3 TYR 550 -2.356 2.260 5.247 365 HD1 TYR 550 HD1 TYR 550 -4.046 5.136 4.315 366 HD2 TYR 550 HD2 TYR 550 -2.550 3.184 7.779 367 HE1 TYR 550 HE1 TYR 550 -5.634 6.387 5.717 368 HE2 TYR 550 HE2 TYR 550 -4.142 4.427 9.181 369 HH TYR 550 HH TYR 550 -6.717 6.267 7.806 370 H ILE 551 HN ILE 551 -0.137 4.676 3.091 371 HA ILE 551 HA ILE 551 -0.156 7.446 4.022 372 HB ILE 551 HB ILE 551 2.203 6.194 2.600 373 HG12 ILE 551 HG12 ILE 551 2.058 7.283 5.422 374 HG13 ILE 551 HG13 ILE 551 2.099 5.575 5.004 375 HG21 ILE 551 HG21 ILE 551 3.284 8.369 2.882 376 HG22 ILE 551 HG22 ILE 551 1.796 9.005 3.582 377 HG23 ILE 551 HG23 ILE 551 1.822 8.474 1.900 378 HD11 ILE 551 HD11 ILE 551 4.273 6.340 5.730 379 HD12 ILE 551 HD12 ILE 551 4.277 7.582 4.476 380 HD13 ILE 551 HD13 ILE 551 4.321 5.877 4.029 381 H LEU 552 HN LEU 552 -1.165 8.653 2.421 382 HA LEU 552 HA LEU 552 -1.366 7.338 -0.193 383 HB2 LEU 552 HB2 LEU 552 -3.248 9.241 1.177 384 HB3 LEU 552 HB1 LEU 552 -3.355 8.851 -0.530 385 HG LEU 552 HG LEU 552 -3.822 7.047 1.823 386 HD11 LEU 552 HD11 LEU 552 -5.496 7.847 -0.542 387 HD12 LEU 552 HD12 LEU 552 -5.629 8.514 1.084 388 HD13 LEU 552 HD13 LEU 552 -6.001 6.816 0.794 389 HD21 LEU 552 HD21 LEU 552 -2.500 5.792 0.196 390 HD22 LEU 552 HD22 LEU 552 -3.611 6.271 -1.087 391 HD23 LEU 552 HD23 LEU 552 -4.172 5.233 0.223 392 H MET 553 HN MET 553 -0.150 8.244 -1.717 393 HA MET 553 HA MET 553 0.805 10.996 -1.216 394 HB2 MET 553 HB2 MET 553 1.855 9.092 -3.315 395 HB3 MET 553 HB3 MET 553 2.637 10.528 -2.675 396 HG2 MET 553 HG2 MET 553 3.251 9.465 -0.705 397 HG3 MET 553 HG3 MET 553 2.066 8.177 -0.919 398 HE1 MET 553 HE1 MET 553 5.943 8.572 -3.394 399 HE2 MET 553 HE2 MET 553 5.494 9.662 -2.081 400 HE3 MET 553 HE3 MET 553 4.573 9.666 -3.586 401 H LYS 554 HN LYS 554 -1.415 11.579 -1.890 402 HA LYS 554 HA LYS 554 -2.501 11.377 -4.320 403 HB2 LYS 554 HB2 LYS 554 -2.433 14.021 -2.893 404 HB3 LYS 554 HB3 LYS 554 -3.720 13.357 -3.891 405 HG2 LYS 554 HG2 LYS 554 -2.870 12.422 -1.157 406 HG3 LYS 554 HG3 LYS 554 -4.372 13.233 -1.592 407 HD2 LYS 554 HD2 LYS 554 -4.893 11.259 -3.066 408 HD3 LYS 554 HD3 LYS 554 -3.489 10.446 -2.357 409 HE2 LYS 554 HE2 LYS 554 -5.511 9.767 -1.213 410 HE3 LYS 554 HE3 LYS 554 -4.488 10.707 -0.128 411 HZ1 LYS 554 HZ1 LYS 554 -5.890 12.643 -0.585 412 HZ2 LYS 554 HZ2 LYS 554 -6.783 11.373 0.082 413 HZ3 LYS 554 HZ3 LYS 554 -6.887 11.701 -1.572 414 H SER 555 HN SER 555 0.414 13.199 -3.670 415 HA SER 555 HA SER 555 0.139 14.977 -5.871 416 HB2 SER 555 HB2 SER 555 2.531 15.487 -5.397 417 HB3 SER 555 HB3 SER 555 1.506 15.596 -3.966 418 HG SER 555 HG SER 555 3.678 14.224 -4.164 419 H THR 556 HN THR 556 1.789 11.884 -5.358 420 HA THR 556 HA THR 556 2.710 11.923 -8.132 421 HB THR 556 HB THR 556 4.065 9.942 -7.467 422 HG1 THR 556 HG1 THR 556 2.422 9.943 -5.386 423 HG21 THR 556 HG21 THR 556 5.642 11.182 -6.047 424 HG22 THR 556 HG22 THR 556 4.398 12.392 -5.731 425 HG23 THR 556 HG23 THR 556 5.031 12.184 -7.364 426 H ASN 557 HN ASN 557 -0.046 10.997 -6.735 427 HA ASN 557 HA ASN 557 -1.672 9.448 -7.103 428 HB2 ASN 557 HB2 ASN 557 -0.143 9.059 -9.690 429 HB3 ASN 557 HB3 ASN 557 -1.727 8.367 -9.362 430 HD21 ASN 557 HD21 ASN 557 -2.704 9.445 -11.039 431 HD22 ASN 557 HD22 ASN 557 -3.008 11.147 -11.011 432 H GLN 558 HN GLN 558 0.371 8.692 -5.492 433 HA GLN 558 HA GLN 558 0.612 5.801 -5.932 434 HB2 GLN 558 HB2 GLN 558 2.882 7.671 -5.251 435 HB3 GLN 558 HB3 GLN 558 2.982 5.923 -5.106 436 HG2 GLN 558 HG2 GLN 558 2.607 5.683 -7.492 437 HG3 GLN 558 HG3 GLN 558 2.445 7.430 -7.653 438 HE21 GLN 558 HE21 GLN 558 4.590 8.093 -5.851 439 HE22 GLN 558 HE22 GLN 558 6.064 7.669 -6.651 440 H ALA 559 HN ALA 559 1.431 4.726 -3.783 441 HA ALA 559 HA ALA 559 0.897 6.279 -1.416 442 HB1 ALA 559 HB1 ALA 559 -1.352 5.823 -2.119 443 HB2 ALA 559 HB2 ALA 559 -0.982 4.855 -0.684 444 HB3 ALA 559 HB3 ALA 559 -0.989 4.101 -2.287 445 H PHE 560 HN PHE 560 1.162 4.995 0.555 446 HA PHE 560 HA PHE 560 2.756 2.529 0.152 447 HB2 PHE 560 HB2 PHE 560 3.017 4.590 2.344 448 HB3 PHE 560 HB3 PHE 560 3.770 3.011 2.412 449 HD1 PHE 560 HD1 PHE 560 5.768 2.551 1.222 450 HD2 PHE 560 HD2 PHE 560 3.752 6.252 0.681 451 HE1 PHE 560 HE1 PHE 560 7.708 3.419 -0.019 452 HE2 PHE 560 HE2 PHE 560 5.691 7.136 -0.550 453 HZ PHE 560 HZ PHE 560 7.764 5.760 -0.716 454 H LEU 561 HN LEU 561 2.464 0.829 1.580 455 HA LEU 561 HA LEU 561 0.151 0.969 3.383 456 HB2 LEU 561 HB2 LEU 561 -0.590 0.137 1.179 457 HB3 LEU 561 HB1 LEU 561 0.607 -1.134 1.261 458 HG LEU 561 HG LEU 561 -0.577 -2.127 3.177 459 HD11 LEU 561 HD11 LEU 561 -2.831 -1.319 3.743 460 HD12 LEU 561 HD12 LEU 561 -2.587 0.070 2.684 461 HD13 LEU 561 HD13 LEU 561 -1.586 -0.129 4.122 462 HD21 LEU 561 HD21 LEU 561 -2.479 -2.960 1.913 463 HD22 LEU 561 HD22 LEU 561 -1.064 -2.826 0.867 464 HD23 LEU 561 HD23 LEU 561 -2.343 -1.613 0.784 465 H GLU 562 HN GLU 562 0.792 0.300 5.304 466 HA GLU 562 HA GLU 562 3.115 -1.481 5.497 467 HB2 GLU 562 HB2 GLU 562 2.990 0.700 6.804 468 HB3 GLU 562 HB3 GLU 562 1.761 -0.074 7.792 469 HG2 GLU 562 HG2 GLU 562 3.358 -1.826 8.401 470 HG3 GLU 562 HG3 GLU 562 4.593 -1.027 7.431 471 H MET 563 HN MET 563 3.070 -3.437 6.318 472 HA MET 563 HA MET 563 0.460 -4.557 7.099 473 HB2 MET 563 HB2 MET 563 2.648 -5.844 5.451 474 HB3 MET 563 HB3 MET 563 1.115 -6.592 5.901 475 HG2 MET 563 HG2 MET 563 -0.085 -5.374 4.420 476 HG3 MET 563 HG3 MET 563 0.985 -3.984 4.533 477 HE1 MET 563 HE1 MET 563 -0.082 -4.454 1.787 478 HE2 MET 563 HE2 MET 563 1.377 -4.460 0.799 479 HE3 MET 563 HE3 MET 563 1.229 -3.331 2.143 480 H ALA 564 HN ALA 564 0.510 -6.178 8.689 481 HA ALA 564 HA ALA 564 2.323 -5.509 10.752 482 HB1 ALA 564 HB1 ALA 564 0.290 -7.723 10.648 483 HB2 ALA 564 HB2 ALA 564 0.013 -6.074 11.205 484 HB3 ALA 564 HB3 ALA 564 1.102 -7.134 12.097 485 H TYR 565 HN TYR 565 2.385 -8.011 8.379 486 HA TYR 565 HA TYR 565 4.870 -8.976 9.567 487 HB2 TYR 565 HB2 TYR 565 2.586 -10.753 8.695 488 HB3 TYR 565 HB3 TYR 565 4.217 -11.332 9.003 489 HD1 TYR 565 HD1 TYR 565 1.038 -10.713 10.427 490 HD2 TYR 565 HD2 TYR 565 5.182 -10.834 11.367 491 HE1 TYR 565 HE1 TYR 565 0.484 -10.991 12.806 492 HE2 TYR 565 HE2 TYR 565 4.642 -11.114 13.748 493 HH TYR 565 HH TYR 565 1.583 -11.942 14.849 494 H THR 566 HN THR 566 6.292 -9.942 8.084 495 HA THR 566 HA THR 566 6.332 -8.624 5.576 496 HB THR 566 HB THR 566 8.391 -9.263 6.831 497 HG1 THR 566 HG1 THR 566 9.519 -9.991 4.887 498 HG21 THR 566 HG21 THR 566 9.270 -11.560 6.526 499 HG22 THR 566 HG22 THR 566 7.709 -12.038 5.858 500 HG23 THR 566 HG23 THR 566 7.827 -11.503 7.533 501 H GLU 567 HN GLU 567 5.233 -11.755 6.606 502 HA GLU 567 HA GLU 567 5.000 -13.124 4.203 503 HB2 GLU 567 HB2 GLU 567 3.099 -14.312 5.258 504 HB3 GLU 567 HB3 GLU 567 4.487 -14.176 6.330 505 HG2 GLU 567 HG2 GLU 567 3.454 -12.507 7.624 506 HG3 GLU 567 HG3 GLU 567 2.191 -12.242 6.425 507 H ALA 568 HN ALA 568 3.121 -10.458 5.438 508 HA ALA 568 HA ALA 568 0.869 -10.873 3.708 509 HB1 ALA 568 HB1 ALA 568 1.653 -8.456 5.332 510 HB2 ALA 568 HB2 ALA 568 0.588 -9.759 5.860 511 HB3 ALA 568 HB3 ALA 568 0.099 -8.702 4.535 512 H ALA 569 HN ALA 569 3.728 -8.812 3.754 513 HA ALA 569 HA ALA 569 3.031 -7.125 1.630 514 HB1 ALA 569 HB1 ALA 569 5.767 -7.925 2.620 515 HB2 ALA 569 HB2 ALA 569 4.786 -6.592 3.232 516 HB3 ALA 569 HB3 ALA 569 5.409 -6.544 1.583 517 H GLN 570 HN GLN 570 4.914 -10.142 1.702 518 HA GLN 570 HA GLN 570 5.538 -10.079 -1.064 519 HB2 GLN 570 HB2 GLN 570 6.112 -12.499 -0.765 520 HB3 GLN 570 HB3 GLN 570 6.928 -11.412 0.347 521 HG2 GLN 570 HG2 GLN 570 5.449 -12.036 2.129 522 HG3 GLN 570 HG3 GLN 570 4.475 -13.006 1.029 523 HE21 GLN 570 HE21 GLN 570 7.508 -12.774 2.722 524 HE22 GLN 570 HE22 GLN 570 7.951 -14.437 2.558 525 H ALA 571 HN ALA 571 2.887 -11.437 0.797 526 HA ALA 571 HA ALA 571 1.684 -12.938 -1.252 527 HB1 ALA 571 HB1 ALA 571 1.068 -13.166 1.104 528 HB2 ALA 571 HB2 ALA 571 -0.343 -12.833 0.100 529 HB3 ALA 571 HB3 ALA 571 0.367 -11.548 1.078 530 H MET 572 HN MET 572 1.368 -9.550 -0.304 531 HA MET 572 HA MET 572 -0.697 -8.805 -2.052 532 HB2 MET 572 HB2 MET 572 1.651 -7.030 -1.393 533 HB3 MET 572 HB3 MET 572 0.003 -6.546 -1.749 534 HG2 MET 572 HG2 MET 572 0.723 -8.131 0.686 535 HG3 MET 572 HG3 MET 572 0.784 -6.379 0.645 536 HE1 MET 572 HE1 MET 572 -0.866 -7.991 2.782 537 HE2 MET 572 HE2 MET 572 -2.352 -7.042 2.814 538 HE3 MET 572 HE3 MET 572 -0.790 -6.232 2.699 539 H VAL 573 HN VAL 573 2.822 -8.740 -2.453 540 HA VAL 573 HA VAL 573 2.819 -7.629 -5.036 541 HB VAL 573 HB VAL 573 4.923 -9.388 -3.754 542 HG11 VAL 573 HG11 VAL 573 5.113 -7.475 -6.081 543 HG12 VAL 573 HG12 VAL 573 5.239 -9.233 -6.157 544 HG13 VAL 573 HG13 VAL 573 6.476 -8.295 -5.319 545 HG21 VAL 573 HG21 VAL 573 6.012 -7.279 -3.140 546 HG22 VAL 573 HG22 VAL 573 4.419 -7.430 -2.396 547 HG23 VAL 573 HG23 VAL 573 4.643 -6.383 -3.799 548 H GLN 574 HN GLN 574 3.031 -11.007 -3.928 549 HA GLN 574 HA GLN 574 3.335 -12.143 -6.481 550 HB2 GLN 574 HB2 GLN 574 2.127 -13.342 -3.982 551 HB3 GLN 574 HB3 GLN 574 2.561 -14.253 -5.420 552 HG2 GLN 574 HG2 GLN 574 4.431 -12.743 -3.614 553 HG3 GLN 574 HG3 GLN 574 4.271 -14.493 -3.749 554 HE21 GLN 574 HE21 GLN 574 6.611 -12.827 -4.131 555 HE22 GLN 574 HE22 GLN 574 7.162 -13.121 -5.735 556 H TYR 575 HN TYR 575 0.471 -11.285 -4.622 557 HA TYR 575 HA TYR 575 -1.354 -12.641 -6.346 558 HB2 TYR 575 HB2 TYR 575 -1.884 -12.045 -3.987 559 HB3 TYR 575 HB3 TYR 575 -1.935 -10.350 -4.457 560 HD1 TYR 575 HD1 TYR 575 -3.806 -9.478 -5.761 561 HD2 TYR 575 HD2 TYR 575 -3.646 -13.581 -4.644 562 HE1 TYR 575 HE1 TYR 575 -6.179 -9.728 -6.353 563 HE2 TYR 575 HE2 TYR 575 -6.018 -13.840 -5.235 564 HH TYR 575 HH TYR 575 -8.035 -12.345 -5.413 565 H TYR 576 HN TYR 576 -0.524 -9.192 -5.957 566 HA TYR 576 HA TYR 576 -2.211 -8.448 -8.128 567 HB2 TYR 576 HB2 TYR 576 -0.204 -6.828 -6.567 568 HB3 TYR 576 HB3 TYR 576 -1.326 -6.158 -7.751 569 HD1 TYR 576 HD1 TYR 576 -3.857 -6.989 -7.333 570 HD2 TYR 576 HD2 TYR 576 -0.848 -6.678 -4.357 571 HE1 TYR 576 HE1 TYR 576 -5.597 -6.750 -5.613 572 HE2 TYR 576 HE2 TYR 576 -2.574 -6.451 -2.624 573 HH TYR 576 HH TYR 576 -5.911 -7.010 -3.268 574 H GLN 577 HN GLN 577 1.023 -9.527 -8.057 575 HA GLN 577 HA GLN 577 1.790 -8.367 -10.554 576 HB2 GLN 577 HB2 GLN 577 2.783 -10.769 -9.035 577 HB3 GLN 577 HB3 GLN 577 3.396 -10.372 -10.632 578 HG2 GLN 577 HG2 GLN 577 3.433 -8.404 -8.369 579 HG3 GLN 577 HG3 GLN 577 4.732 -9.563 -8.635 580 HE21 GLN 577 HE21 GLN 577 6.223 -7.952 -9.030 581 HE22 GLN 577 HE22 GLN 577 6.233 -7.034 -10.496 582 H GLU 578 HN GLU 578 0.217 -11.380 -9.606 583 HA GLU 578 HA GLU 578 -0.115 -12.173 -12.373 584 HB2 GLU 578 HB2 GLU 578 -1.112 -13.406 -9.802 585 HB3 GLU 578 HB3 GLU 578 -1.327 -14.116 -11.397 586 HG2 GLU 578 HG2 GLU 578 1.324 -13.540 -10.091 587 HG3 GLU 578 HG3 GLU 578 0.540 -15.117 -10.169 588 H LYS 579 HN LYS 579 -2.159 -10.981 -9.728 589 HA LYS 579 HA LYS 579 -4.155 -10.188 -11.729 590 HB2 LYS 579 HB2 LYS 579 -4.725 -11.455 -9.038 591 HB3 LYS 579 HB3 LYS 579 -5.939 -10.760 -10.102 592 HG2 LYS 579 HG2 LYS 579 -5.356 -12.439 -11.813 593 HG3 LYS 579 HG3 LYS 579 -4.217 -13.162 -10.674 594 HD2 LYS 579 HD2 LYS 579 -6.044 -13.598 -9.114 595 HD3 LYS 579 HD3 LYS 579 -7.185 -12.854 -10.237 596 HE2 LYS 579 HE2 LYS 579 -6.609 -14.573 -11.912 597 HE3 LYS 579 HE3 LYS 579 -5.546 -15.337 -10.732 598 HZ1 LYS 579 HZ1 LYS 579 -7.472 -15.682 -9.297 599 HZ2 LYS 579 HZ2 LYS 579 -7.677 -16.438 -10.796 600 HZ3 LYS 579 HZ3 LYS 579 -8.484 -14.987 -10.463 601 HA PRO 580 HA PRO 580 -2.887 -6.547 -9.231 602 HB2 PRO 580 HB2 PRO 580 -3.542 -4.744 -11.172 603 HB3 PRO 580 HB1 PRO 580 -1.980 -5.562 -11.083 604 HG2 PRO 580 HG2 PRO 580 -4.352 -6.178 -12.790 605 HG3 PRO 580 HG3 PRO 580 -2.630 -6.215 -13.208 606 HD2 PRO 580 HD2 PRO 580 -4.050 -8.453 -12.658 607 HD3 PRO 580 HD3 PRO 580 -2.322 -8.301 -12.282 608 H ALA 581 HN ALA 581 -4.099 -4.708 -8.439 609 HA ALA 581 HA ALA 581 -6.944 -5.317 -8.249 610 HB1 ALA 581 HB1 ALA 581 -6.982 -3.679 -6.453 611 HB2 ALA 581 HB2 ALA 581 -5.327 -3.199 -6.826 612 HB3 ALA 581 HB3 ALA 581 -5.657 -4.816 -6.203 613 H ILE 582 HN ILE 582 -8.510 -4.159 -9.214 614 HA ILE 582 HA ILE 582 -7.574 -2.141 -11.118 615 HB ILE 582 HB ILE 582 -10.214 -3.612 -11.080 616 HG12 ILE 582 HG12 ILE 582 -7.761 -4.166 -12.766 617 HG13 ILE 582 HG13 ILE 582 -8.242 -5.117 -11.365 618 HG21 ILE 582 HG21 ILE 582 -8.870 -1.968 -13.222 619 HG22 ILE 582 HG22 ILE 582 -10.294 -1.505 -12.290 620 HG23 ILE 582 HG23 ILE 582 -10.378 -2.863 -13.412 621 HD11 ILE 582 HD11 ILE 582 -10.315 -5.731 -12.494 622 HD12 ILE 582 HD12 ILE 582 -8.899 -6.196 -13.436 623 HD13 ILE 582 HD13 ILE 582 -9.833 -4.774 -13.895 624 H ILE 583 HN ILE 583 -7.882 -0.082 -10.637 625 HA ILE 583 HA ILE 583 -10.392 0.684 -9.281 626 HB ILE 583 HB ILE 583 -7.694 2.036 -9.069 627 HG12 ILE 583 HG12 ILE 583 -7.976 0.043 -7.620 628 HG13 ILE 583 HG13 ILE 583 -7.822 1.533 -6.698 629 HG21 ILE 583 HG21 ILE 583 -8.792 3.672 -7.632 630 HG22 ILE 583 HG22 ILE 583 -10.345 2.889 -7.921 631 HG23 ILE 583 HG23 ILE 583 -9.491 3.668 -9.254 632 HD11 ILE 583 HD11 ILE 583 -10.364 0.028 -7.253 633 HD12 ILE 583 HD12 ILE 583 -10.261 1.568 -6.400 634 HD13 ILE 583 HD13 ILE 583 -9.502 0.130 -5.715 635 H ASN 584 HN ASN 584 -11.682 1.552 -10.786 636 HA ASN 584 HA ASN 584 -12.446 2.748 -12.555 637 HB2 ASN 584 HB2 ASN 584 -10.007 4.460 -12.030 638 HB3 ASN 584 HB3 ASN 584 -11.346 4.902 -13.079 639 HD21 ASN 584 HD21 ASN 584 -10.376 6.315 -10.825 640 HD22 ASN 584 HD22 ASN 584 -11.663 6.408 -9.672 641 H GLY 585 HN GLY 585 -10.773 0.513 -13.026 642 HA2 GLY 585 HA2 GLY 585 -10.134 -0.533 -14.978 643 HA3 GLY 585 HA3 GLY 585 -10.133 1.019 -15.794 644 H GLU 586 HN GLU 586 -8.348 1.376 -13.018 645 HA GLU 586 HA GLU 586 -5.877 1.006 -14.554 646 HB2 GLU 586 HB2 GLU 586 -6.464 2.658 -12.094 647 HB3 GLU 586 HB3 GLU 586 -4.867 2.492 -12.811 648 HG2 GLU 586 HG2 GLU 586 -7.279 3.617 -14.215 649 HG3 GLU 586 HG3 GLU 586 -6.009 4.575 -13.452 650 H LYS 587 HN LYS 587 -4.604 -0.614 -14.113 651 HA LYS 587 HA LYS 587 -4.968 -2.369 -11.907 652 HB2 LYS 587 HB2 LYS 587 -2.600 -2.164 -13.771 653 HB3 LYS 587 HB3 LYS 587 -3.026 -3.545 -12.774 654 HG2 LYS 587 HG2 LYS 587 -5.016 -3.930 -14.082 655 HG3 LYS 587 HG3 LYS 587 -4.703 -2.477 -15.033 656 HD2 LYS 587 HD2 LYS 587 -2.517 -3.517 -15.708 657 HD3 LYS 587 HD3 LYS 587 -3.066 -5.003 -14.937 658 HE2 LYS 587 HE2 LYS 587 -3.471 -5.040 -17.346 659 HE3 LYS 587 HE3 LYS 587 -4.978 -5.093 -16.437 660 HZ1 LYS 587 HZ1 LYS 587 -3.823 -2.647 -17.661 661 HZ2 LYS 587 HZ2 LYS 587 -5.310 -2.762 -16.869 662 HZ3 LYS 587 HZ3 LYS 587 -5.071 -3.568 -18.334 663 H LEU 588 HN LEU 588 -4.351 -1.959 -9.881 664 HA LEU 588 HA LEU 588 -2.293 -0.046 -9.281 665 HB2 LEU 588 HB2 LEU 588 -3.658 -1.988 -7.421 666 HB3 LEU 588 HB1 LEU 588 -2.756 -0.556 -6.965 667 HG LEU 588 HG LEU 588 -5.417 -0.645 -8.379 668 HD11 LEU 588 HD11 LEU 588 -6.137 0.590 -6.339 669 HD12 LEU 588 HD12 LEU 588 -4.557 0.243 -5.636 670 HD13 LEU 588 HD13 LEU 588 -5.649 -1.078 -6.056 671 HD21 LEU 588 HD21 LEU 588 -5.370 1.801 -8.251 672 HD22 LEU 588 HD22 LEU 588 -4.090 1.168 -9.286 673 HD23 LEU 588 HD23 LEU 588 -3.710 1.730 -7.658 674 H LEU 589 HN LEU 589 -0.243 -0.430 -8.724 675 HA LEU 589 HA LEU 589 0.655 -3.235 -8.864 676 HB2 LEU 589 HB2 LEU 589 1.449 -1.846 -10.724 677 HB3 LEU 589 HB1 LEU 589 2.165 -0.721 -9.588 678 HG LEU 589 HG LEU 589 3.714 -2.504 -8.841 679 HD11 LEU 589 HD11 LEU 589 3.906 -4.534 -10.232 680 HD12 LEU 589 HD12 LEU 589 2.420 -4.072 -11.063 681 HD13 LEU 589 HD13 LEU 589 2.385 -4.454 -9.342 682 HD21 LEU 589 HD21 LEU 589 4.413 -0.932 -10.554 683 HD22 LEU 589 HD22 LEU 589 3.702 -1.952 -11.804 684 HD23 LEU 589 HD23 LEU 589 5.084 -2.529 -10.876 685 H ILE 590 HN ILE 590 1.047 -3.976 -6.900 686 HA ILE 590 HA ILE 590 2.150 -2.182 -4.868 687 HB ILE 590 HB ILE 590 0.958 -4.947 -4.566 688 HG12 ILE 590 HG12 ILE 590 -0.136 -2.181 -4.044 689 HG13 ILE 590 HG13 ILE 590 -0.785 -3.404 -5.125 690 HG21 ILE 590 HG21 ILE 590 1.022 -4.492 -2.152 691 HG22 ILE 590 HG22 ILE 590 1.880 -2.985 -2.473 692 HG23 ILE 590 HG23 ILE 590 2.635 -4.530 -2.867 693 HD11 ILE 590 HD11 ILE 590 -2.155 -3.230 -3.155 694 HD12 ILE 590 HD12 ILE 590 -0.758 -3.502 -2.113 695 HD13 ILE 590 HD13 ILE 590 -1.339 -4.793 -3.167 696 H ARG 591 HN ARG 591 4.205 -2.344 -4.218 697 HA ARG 591 HA ARG 591 5.751 -4.762 -4.730 698 HB2 ARG 591 HB2 ARG 591 6.464 -2.063 -5.904 699 HB3 ARG 591 HB3 ARG 591 7.561 -3.433 -5.838 700 HG2 ARG 591 HG2 ARG 591 6.120 -4.710 -7.292 701 HG3 ARG 591 HG3 ARG 591 4.923 -3.415 -7.286 702 HD2 ARG 591 HD2 ARG 591 6.200 -3.326 -9.330 703 HD3 ARG 591 HD3 ARG 591 6.580 -1.921 -8.337 704 HE ARG 591 HE ARG 591 8.479 -3.807 -7.708 705 HH11 ARG 591 HH11 ARG 591 7.449 -2.151 -10.616 706 HH12 ARG 591 HH12 ARG 591 9.017 -2.216 -11.355 707 HH21 ARG 591 HH21 ARG 591 10.542 -3.890 -8.688 708 HH22 ARG 591 HH22 ARG 591 10.768 -3.201 -10.266 709 H MET 592 HN MET 592 7.892 -4.648 -3.658 710 HA MET 592 HA MET 592 7.641 -3.257 -1.120 711 HB2 MET 592 HB2 MET 592 9.805 -5.123 -2.114 712 HB3 MET 592 HB3 MET 592 9.679 -4.491 -0.481 713 HG2 MET 592 HG2 MET 592 7.523 -5.646 -0.227 714 HG3 MET 592 HG3 MET 592 7.725 -6.329 -1.839 715 HE1 MET 592 HE1 MET 592 8.325 -9.408 0.512 716 HE2 MET 592 HE2 MET 592 7.391 -8.769 -0.842 717 HE3 MET 592 HE3 MET 592 7.190 -8.083 0.770 718 H SER 593 HN SER 593 9.226 -1.774 -0.314 719 HA SER 593 HA SER 593 10.177 -0.077 -2.469 720 HB2 SER 593 HB2 SER 593 8.894 0.915 -0.618 721 HB3 SER 593 HB3 SER 593 10.154 0.421 0.512 722 HG SER 593 HG SER 593 10.102 2.510 -1.295 723 H THR 594 HN THR 594 12.184 0.379 -2.932 724 HA THR 594 HA THR 594 14.311 -1.202 -1.720 725 HB THR 594 HB THR 594 15.691 -0.158 -3.588 726 HG1 THR 594 HG1 THR 594 14.731 1.197 -4.926 727 HG21 THR 594 HG21 THR 594 13.255 -1.769 -4.362 728 HG22 THR 594 HG22 THR 594 14.769 -2.425 -3.741 729 HG23 THR 594 HG23 THR 594 14.735 -1.618 -5.310 730 H ARG 595 HN ARG 595 12.944 1.832 -1.297 731 HA ARG 595 HA ARG 595 15.520 3.143 -0.763 732 HB2 ARG 595 HB2 ARG 595 12.809 4.364 -1.277 733 HB3 ARG 595 HB3 ARG 595 14.289 5.268 -0.978 734 HG2 ARG 595 HG2 ARG 595 15.281 4.247 -2.983 735 HG3 ARG 595 HG3 ARG 595 13.755 3.418 -3.287 736 HD2 ARG 595 HD2 ARG 595 12.632 5.600 -3.472 737 HD3 ARG 595 HD3 ARG 595 14.184 6.402 -3.222 738 HE ARG 595 HE ARG 595 14.505 4.628 -5.330 739 HH11 ARG 595 HH11 ARG 595 12.674 7.539 -4.656 740 HH12 ARG 595 HH12 ARG 595 12.590 8.012 -6.324 741 HH21 ARG 595 HH21 ARG 595 14.408 5.247 -7.496 742 HH22 ARG 595 HH22 ARG 595 13.589 6.709 -7.943 743 H TYR 596 HN TYR 596 12.532 2.182 0.733 744 HA TYR 596 HA TYR 596 13.431 3.464 3.229 745 HB2 TYR 596 HB2 TYR 596 10.655 3.065 2.141 746 HB3 TYR 596 HB3 TYR 596 10.943 3.354 3.852 747 HD1 TYR 596 HD1 TYR 596 11.412 4.830 0.476 748 HD2 TYR 596 HD2 TYR 596 11.286 5.507 4.668 749 HE1 TYR 596 HE1 TYR 596 11.437 7.256 0.080 750 HE2 TYR 596 HE2 TYR 596 11.312 7.932 4.288 751 HH TYR 596 HH TYR 596 10.858 9.309 1.162 752 H LYS 597 HN LYS 597 13.510 2.300 5.067 753 HA LYS 597 HA LYS 597 12.748 -0.538 4.902 754 HB2 LYS 597 HB2 LYS 597 14.757 0.838 6.687 755 HB3 LYS 597 HB3 LYS 597 14.231 -0.827 6.916 756 HG2 LYS 597 HG2 LYS 597 16.283 -0.929 5.766 757 HG3 LYS 597 HG3 LYS 597 15.039 -1.274 4.567 758 HD2 LYS 597 HD2 LYS 597 15.141 1.084 3.831 759 HD3 LYS 597 HD3 LYS 597 16.450 1.361 4.977 760 HE2 LYS 597 HE2 LYS 597 16.530 -0.660 2.751 761 HE3 LYS 597 HE3 LYS 597 17.208 0.963 2.642 762 HZ1 LYS 597 HZ1 LYS 597 18.036 -1.112 4.599 763 HZ2 LYS 597 HZ2 LYS 597 18.703 0.433 4.456 764 HZ3 LYS 597 HZ3 LYS 597 18.889 -0.690 3.205 765 H GLU 598 HN GLU 598 11.771 2.396 6.147 766 HA GLU 598 HA GLU 598 9.924 1.037 7.935 767 HB2 GLU 598 HB2 GLU 598 11.786 1.693 9.384 768 HB3 GLU 598 HB3 GLU 598 11.683 3.345 8.792 769 HG2 GLU 598 HG2 GLU 598 9.408 3.503 9.747 770 HG3 GLU 598 HG3 GLU 598 9.622 1.889 10.427 771 H LEU 599 HN LEU 599 8.011 2.097 8.184 772 HA LEU 599 HA LEU 599 7.610 4.475 6.512 773 HB2 LEU 599 HB2 LEU 599 5.632 2.467 7.574 774 HB3 LEU 599 HB1 LEU 599 5.169 3.934 6.734 775 HG LEU 599 HG LEU 599 6.703 1.596 5.611 776 HD11 LEU 599 HD11 LEU 599 4.390 1.144 5.616 777 HD12 LEU 599 HD12 LEU 599 4.798 1.646 3.975 778 HD13 LEU 599 HD13 LEU 599 3.994 2.773 5.067 779 HD21 LEU 599 HD21 LEU 599 6.448 3.006 3.459 780 HD22 LEU 599 HD22 LEU 599 7.778 3.343 4.563 781 HD23 LEU 599 HD23 LEU 599 6.341 4.371 4.569 782 H GLN 600 HN GLN 600 7.265 6.373 7.366 783 HA GLN 600 HA GLN 600 6.478 6.520 10.189 784 HB2 GLN 600 HB2 GLN 600 8.642 7.500 9.901 785 HB3 GLN 600 HB3 GLN 600 8.113 8.398 8.493 786 HG2 GLN 600 HG2 GLN 600 6.718 8.953 11.042 787 HG3 GLN 600 HG3 GLN 600 8.385 9.503 10.897 788 HE21 GLN 600 HE21 GLN 600 8.161 9.943 8.015 789 HE22 GLN 600 HE22 GLN 600 7.222 11.377 7.831 790 H LEU 601 HN LEU 601 4.632 7.490 10.725 791 HA LEU 601 HA LEU 601 2.878 8.326 8.590 792 HB2 LEU 601 HB2 LEU 601 2.488 8.102 11.568 793 HB3 LEU 601 HB1 LEU 601 1.237 8.633 10.467 794 HG LEU 601 HG LEU 601 2.512 5.892 10.548 795 HD11 LEU 601 HD11 LEU 601 -0.277 6.862 11.170 796 HD12 LEU 601 HD12 LEU 601 0.929 6.339 12.347 797 HD13 LEU 601 HD13 LEU 601 0.264 5.185 11.191 798 HD21 LEU 601 HD21 LEU 601 2.021 6.492 8.245 799 HD22 LEU 601 HD22 LEU 601 0.400 7.019 8.701 800 HD23 LEU 601 HD23 LEU 601 0.840 5.316 8.823 801 H LYS 602 HN LYS 602 3.570 10.329 7.813 802 HA LYS 602 HA LYS 602 3.983 12.614 9.404 803 HB2 LYS 602 HB2 LYS 602 2.845 12.340 6.608 804 HB3 LYS 602 HB3 LYS 602 3.270 13.875 7.343 805 HG2 LYS 602 HG2 LYS 602 5.289 11.688 7.038 806 HG3 LYS 602 HG3 LYS 602 4.924 12.804 5.721 807 HD2 LYS 602 HD2 LYS 602 5.364 14.664 7.421 808 HD3 LYS 602 HD3 LYS 602 6.087 13.405 8.424 809 HE2 LYS 602 HE2 LYS 602 7.798 14.535 7.123 810 HE3 LYS 602 HE3 LYS 602 7.638 12.859 6.602 811 HZ1 LYS 602 HZ1 LYS 602 6.374 13.569 4.700 812 HZ2 LYS 602 HZ2 LYS 602 7.826 14.434 4.740 813 HZ3 LYS 602 HZ3 LYS 602 6.386 15.177 5.227 814 H LYS 603 HN LYS 603 1.190 10.864 8.436 815 HA LYS 603 HA LYS 603 -0.605 12.834 9.689 816 HB2 LYS 603 HB2 LYS 603 -1.268 10.650 7.694 817 HB3 LYS 603 HB3 LYS 603 -2.399 11.819 8.356 818 HG2 LYS 603 HG2 LYS 603 -0.025 12.507 6.637 819 HG3 LYS 603 HG3 LYS 603 -1.683 12.340 6.057 820 HD2 LYS 603 HD2 LYS 603 -2.370 14.155 7.578 821 HD3 LYS 603 HD3 LYS 603 -0.690 14.341 8.086 822 HE2 LYS 603 HE2 LYS 603 -0.051 14.893 5.798 823 HE3 LYS 603 HE3 LYS 603 -1.719 14.681 5.271 824 HZ1 LYS 603 HZ1 LYS 603 -1.255 17.002 5.584 825 HZ2 LYS 603 HZ2 LYS 603 -0.712 16.736 7.161 826 HZ3 LYS 603 HZ3 LYS 603 -2.340 16.503 6.781 827 HA PRO 604 HA PRO 604 -0.885 10.075 13.075 828 HB2 PRO 604 HB2 PRO 604 -3.469 10.629 13.875 829 HB3 PRO 604 HB1 PRO 604 -2.055 11.613 14.272 830 HG2 PRO 604 HG2 PRO 604 -4.074 11.986 12.093 831 HG3 PRO 604 HG3 PRO 604 -3.347 13.198 13.164 832 HD2 PRO 604 HD2 PRO 604 -2.500 12.916 10.654 833 HD3 PRO 604 HD3 PRO 604 -1.347 13.234 11.967 834 H GLY 605 HN GLY 605 -3.292 9.929 10.555 835 HA2 GLY 605 HA2 GLY 605 -4.221 8.047 9.591 836 HA3 GLY 605 HA3 GLY 605 -3.441 7.072 10.826 837 H LYS 606 HN LYS 606 -6.017 6.639 9.934 838 HA LYS 606 HA LYS 606 -7.632 7.346 12.306 839 HB2 LYS 606 HB2 LYS 606 -8.630 6.367 9.621 840 HB3 LYS 606 HB3 LYS 606 -9.597 7.004 10.943 841 HG2 LYS 606 HG2 LYS 606 -8.679 9.206 10.623 842 HG3 LYS 606 HG3 LYS 606 -7.565 8.598 9.397 843 HD2 LYS 606 HD2 LYS 606 -9.524 7.931 8.027 844 HD3 LYS 606 HD3 LYS 606 -10.574 8.684 9.228 845 HE2 LYS 606 HE2 LYS 606 -10.204 10.198 7.367 846 HE3 LYS 606 HE3 LYS 606 -9.462 10.835 8.833 847 HZ1 LYS 606 HZ1 LYS 606 -8.018 9.390 6.667 848 HZ2 LYS 606 HZ2 LYS 606 -7.320 10.052 8.061 849 HZ3 LYS 606 HZ3 LYS 606 -8.012 11.067 6.905 850 H ASN 607 HN ASN 607 -9.142 5.514 13.007 851 HA ASN 607 HA ASN 607 -7.796 3.149 13.451 852 HB2 ASN 607 HB2 ASN 607 -9.789 3.946 14.715 853 HB3 ASN 607 HB3 ASN 607 -10.797 3.509 13.339 854 HD21 ASN 607 HD21 ASN 607 -8.841 2.327 15.950 855 HD22 ASN 607 HD22 ASN 607 -9.400 0.689 15.892 856 H VAL 608 HN VAL 608 -7.293 1.497 12.230 857 HA VAL 608 HA VAL 608 -8.401 1.329 9.548 858 HB VAL 608 HB VAL 608 -6.022 -0.016 10.836 859 HG11 VAL 608 HG11 VAL 608 -5.441 -0.727 8.521 860 HG12 VAL 608 HG12 VAL 608 -7.066 -0.252 8.030 861 HG13 VAL 608 HG13 VAL 608 -6.845 -1.544 9.204 862 HG21 VAL 608 HG21 VAL 608 -4.735 1.404 9.282 863 HG22 VAL 608 HG22 VAL 608 -5.694 2.348 10.422 864 HG23 VAL 608 HG23 VAL 608 -6.239 2.162 8.754 865 H ALA 609 HN ALA 609 -8.581 -0.317 12.585 866 HA ALA 609 HA ALA 609 -9.450 -2.848 11.753 867 HB1 ALA 609 HB1 ALA 609 -10.447 -3.061 13.961 868 HB2 ALA 609 HB2 ALA 609 -10.316 -1.321 14.207 869 HB3 ALA 609 HB3 ALA 609 -8.858 -2.304 14.073 870 H ALA 610 HN ALA 610 -11.176 0.192 12.103 871 HA ALA 610 HA ALA 610 -13.788 -0.790 11.665 872 HB1 ALA 610 HB1 ALA 610 -13.344 1.440 12.579 873 HB2 ALA 610 HB2 ALA 610 -14.370 1.524 11.147 874 HB3 ALA 610 HB3 ALA 610 -12.660 1.937 11.031 875 H ILE 611 HN ILE 611 -11.124 -0.096 9.567 876 HA ILE 611 HA ILE 611 -12.598 0.007 7.127 877 HB ILE 611 HB ILE 611 -9.659 -0.581 7.593 878 HG12 ILE 611 HG12 ILE 611 -11.064 1.986 6.805 879 HG13 ILE 611 HG13 ILE 611 -10.433 1.635 8.410 880 HG21 ILE 611 HG21 ILE 611 -10.462 -1.382 5.408 881 HG22 ILE 611 HG22 ILE 611 -9.346 -0.026 5.247 882 HG23 ILE 611 HG23 ILE 611 -11.080 0.232 5.056 883 HD11 ILE 611 HD11 ILE 611 -8.905 3.058 7.231 884 HD12 ILE 611 HD12 ILE 611 -8.841 1.933 5.876 885 HD13 ILE 611 HD13 ILE 611 -8.167 1.469 7.437 886 H ILE 612 HN ILE 612 -11.077 -2.532 9.046 887 HA ILE 612 HA ILE 612 -11.416 -4.691 7.296 888 HB ILE 612 HB ILE 612 -11.775 -4.723 10.308 889 HG12 ILE 612 HG12 ILE 612 -9.283 -5.243 8.673 890 HG13 ILE 612 HG13 ILE 612 -9.596 -3.771 9.588 891 HG21 ILE 612 HG21 ILE 612 -11.169 -7.088 10.142 892 HG22 ILE 612 HG22 ILE 612 -11.096 -6.944 8.387 893 HG23 ILE 612 HG23 ILE 612 -12.631 -6.727 9.223 894 HD11 ILE 612 HD11 ILE 612 -8.099 -5.260 10.784 895 HD12 ILE 612 HD12 ILE 612 -9.312 -6.538 10.732 896 HD13 ILE 612 HD13 ILE 612 -9.621 -5.068 11.654 897 H GLN 613 HN GLN 613 -13.639 -3.240 9.656 898 HA GLN 613 HA GLN 613 -15.825 -4.967 9.188 899 HB2 GLN 613 HB2 GLN 613 -15.869 -2.065 10.037 900 HB3 GLN 613 HB3 GLN 613 -17.201 -3.200 10.202 901 HG2 GLN 613 HG2 GLN 613 -15.868 -4.543 11.740 902 HG3 GLN 613 HG3 GLN 613 -14.527 -3.414 11.566 903 HE21 GLN 613 HE21 GLN 613 -16.317 -1.093 11.494 904 HE22 GLN 613 HE22 GLN 613 -16.839 -0.851 13.114 905 H ASP 614 HN ASP 614 -14.650 -2.144 7.582 906 HA ASP 614 HA ASP 614 -16.875 -1.637 5.893 907 HB2 ASP 614 HB2 ASP 614 -15.132 0.046 6.236 908 HB3 ASP 614 HB3 ASP 614 -13.949 -0.999 5.458 909 H ILE 615 HN ILE 615 -13.900 -3.507 5.438 910 HA ILE 615 HA ILE 615 -14.410 -4.418 2.826 911 HB ILE 615 HB ILE 615 -12.862 -5.769 5.045 912 HG12 ILE 615 HG12 ILE 615 -11.877 -4.090 2.723 913 HG13 ILE 615 HG13 ILE 615 -12.082 -3.497 4.374 914 HG21 ILE 615 HG21 ILE 615 -11.745 -7.027 3.259 915 HG22 ILE 615 HG22 ILE 615 -12.836 -6.304 2.077 916 HG23 ILE 615 HG23 ILE 615 -13.472 -7.376 3.324 917 HD11 ILE 615 HD11 ILE 615 -10.169 -5.590 3.402 918 HD12 ILE 615 HD12 ILE 615 -10.476 -5.259 5.106 919 HD13 ILE 615 HD13 ILE 615 -9.797 -4.003 4.075 920 H HIS 616 HN HIS 616 -15.398 -5.647 5.976 921 HA HIS 616 HA HIS 616 -16.521 -8.071 5.061 922 HB2 HIS 616 HB2 HIS 616 -16.963 -6.398 7.516 923 HB3 HIS 616 HB3 HIS 616 -17.974 -7.803 7.200 924 HD1 HIS 616 HD1 HIS 616 -17.173 -9.761 8.448 925 HD2 HIS 616 HD2 HIS 616 -14.023 -7.332 7.245 926 HE1 HIS 616 HE1 HIS 616 -15.093 -10.880 9.301 927 HE2 HIS 616 HE2 HIS 616 -13.225 -9.291 8.732 928 H SER 617 HN SER 617 -17.786 -4.796 5.254 929 HA SER 617 HA SER 617 -20.448 -5.530 4.536 930 HB2 SER 617 HB2 SER 617 -19.089 -2.832 4.365 931 HB3 SER 617 HB3 SER 617 -20.826 -3.130 4.296 932 HG SER 617 HG SER 617 -19.685 -4.258 6.495 933 H GLN 618 HN GLN 618 -17.587 -4.411 2.814 934 HA GLN 618 HA GLN 618 -18.842 -5.225 0.293 935 HB2 GLN 618 HB2 GLN 618 -17.392 -2.604 0.715 936 HB3 GLN 618 HB3 GLN 618 -17.878 -3.242 -0.848 937 HG2 GLN 618 HG2 GLN 618 -20.237 -3.159 -0.079 938 HG3 GLN 618 HG3 GLN 618 -19.678 -2.365 1.395 939 HE21 GLN 618 HE21 GLN 618 -18.848 -0.265 1.268 940 HE22 GLN 618 HE22 GLN 618 -19.140 0.747 -0.101 941 H ARG 619 HN ARG 619 -17.573 -6.913 -0.196 942 HA ARG 619 HA ARG 619 -14.701 -6.766 0.198 943 HB2 ARG 619 HB2 ARG 619 -16.436 -8.944 -0.980 944 HB3 ARG 619 HB3 ARG 619 -14.709 -9.083 -0.678 945 HG2 ARG 619 HG2 ARG 619 -15.084 -8.789 1.705 946 HG3 ARG 619 HG3 ARG 619 -16.815 -8.602 1.419 947 HD2 ARG 619 HD2 ARG 619 -15.168 -11.057 0.829 948 HD3 ARG 619 HD3 ARG 619 -16.281 -10.851 2.178 949 HE ARG 619 HE ARG 619 -17.268 -10.667 -0.583 950 HH11 ARG 619 HH11 ARG 619 -17.274 -12.232 2.551 951 HH12 ARG 619 HH12 ARG 619 -18.645 -13.226 2.186 952 HH21 ARG 619 HH21 ARG 619 -19.074 -11.965 -1.061 953 HH22 ARG 619 HH22 ARG 619 -19.681 -13.066 0.136 954 H GLU 620 HN GLU 620 -13.176 -6.739 -1.452 955 HA GLU 620 HA GLU 620 -14.206 -5.565 -3.916 956 HB2 GLU 620 HB2 GLU 620 -11.706 -4.998 -4.261 957 HB3 GLU 620 HB3 GLU 620 -12.628 -4.098 -3.075 958 HG2 GLU 620 HG2 GLU 620 -10.484 -4.570 -2.166 959 HG3 GLU 620 HG3 GLU 620 -11.664 -5.547 -1.304 960 H ARG 621 HN ARG 621 -13.377 -6.131 -5.970 961 HA ARG 621 HA ARG 621 -11.604 -8.198 -6.529 962 HB2 ARG 621 HB2 ARG 621 -13.534 -9.520 -5.446 963 HB3 ARG 621 HB3 ARG 621 -14.435 -9.157 -6.910 964 HG2 ARG 621 HG2 ARG 621 -13.487 -11.335 -7.129 965 HG3 ARG 621 HG3 ARG 621 -12.630 -10.251 -8.224 966 HD2 ARG 621 HD2 ARG 621 -11.587 -10.805 -5.467 967 HD3 ARG 621 HD3 ARG 621 -11.266 -11.917 -6.792 968 HE ARG 621 HE ARG 621 -10.071 -10.142 -7.908 969 HH11 ARG 621 HH11 ARG 621 -10.890 -9.482 -4.564 970 HH12 ARG 621 HH12 ARG 621 -9.611 -8.332 -4.347 971 HH21 ARG 621 HH21 ARG 621 -8.371 -8.650 -7.606 972 HH22 ARG 621 HH22 ARG 621 -8.168 -7.882 -6.063 Start of MODEL 9 1 HO5' ADN 1 H5T ADE 1 9.839 -3.074 -10.729 2 H5'1 ADN 1 H5' ADE 1 10.578 -1.597 -8.676 3 H5'2 ADN 1 H5'' ADE 1 8.959 -1.050 -9.143 4 H4' ADN 1 H4' ADE 1 11.517 -0.854 -10.556 5 H3' ADN 1 H3' ADE 1 9.823 1.073 -9.791 6 H2' ADN 1 H2' ADE 1 7.922 0.360 -11.113 7 HO2' ADN 1 HO2' ADE 1 9.521 1.979 -12.840 8 H1' ADN 1 H1' ADE 1 9.839 -0.167 -13.452 9 H8 ADN 1 H8 ADE 1 8.056 -3.092 -12.173 10 HN61 ADN 1 H61 ADE 1 4.328 -3.271 -15.273 11 HN62 ADN 1 H62 ADE 1 3.690 -2.144 -16.450 12 H2 ADN 1 H2 ADE 1 6.281 1.514 -16.272 13 H5' U 2 H5' URI 2 9.933 5.018 -12.278 14 H5'' U 2 H5'' URI 2 11.104 5.479 -11.029 15 H4' U 2 H4' URI 2 9.347 6.881 -10.601 16 H3' U 2 H3' URI 2 9.839 5.194 -8.562 17 H2' U 2 H2' URI 2 8.169 3.538 -9.188 18 HO2' U 2 HO2' URI 2 6.978 5.511 -7.506 19 H1' U 2 H1' URI 2 6.303 5.921 -9.761 20 H3 U 2 H3 URI 2 2.846 3.389 -10.929 21 H5 U 2 H5 URI 2 6.105 1.192 -12.399 22 H6 U 2 H6 URI 2 7.558 2.858 -11.445 23 H5' C 3 H5' CYT 3 7.396 8.137 -6.290 24 H5'' C 3 H5'' CYT 3 8.385 9.320 -5.412 25 H4' C 3 H4' CYT 3 6.931 8.084 -3.914 26 H3' C 3 H3' CYT 3 9.468 8.648 -3.272 27 H2' C 3 H2' CYT 3 10.454 6.593 -4.088 28 HO2' C 3 HO2' CYT 3 9.696 6.386 -1.376 29 H1' C 3 H1' CYT 3 8.091 5.083 -2.835 30 H41 C 3 H41 CYT 3 11.014 1.217 -7.355 31 H42 C 3 H42 CYT 3 10.616 0.211 -5.981 32 H5 C 3 H5 CYT 3 10.558 3.594 -7.419 33 H6 C 3 H6 CYT 3 9.652 5.486 -6.174 34 H5' U 4 H5' URI 4 6.829 11.604 -1.168 35 H5'' U 4 H5'' URI 4 7.959 11.422 0.185 36 H4' U 4 H4' URI 4 4.998 11.446 0.147 37 H3' U 4 H3' URI 4 6.688 13.254 1.191 38 H2' U 4 H2' URI 4 7.765 11.699 2.740 39 HO2' U 4 HO2' URI 4 5.591 13.088 3.901 40 H1' U 4 H1' URI 4 4.903 10.706 3.325 41 H3 U 4 H3 URI 4 6.927 8.614 6.843 42 H5 U 4 H5 URI 4 8.436 6.753 3.397 43 H6 U 4 H6 URI 4 7.387 8.485 2.095 44 H5' U 5 H5' URI 5 2.878 12.856 -0.523 45 H5'' U 5 H5'' URI 5 2.027 14.364 -0.905 46 H4' U 5 H4' URI 5 0.450 12.579 -0.692 47 H3' U 5 H3' URI 5 -0.001 14.936 0.538 48 H2' U 5 H2' URI 5 0.850 14.274 2.716 49 HO2' U 5 HO2' URI 5 -1.838 13.299 2.730 50 H1' U 5 H1' URI 5 -0.583 11.588 2.255 51 H3 U 5 H3 URI 5 0.573 10.022 6.261 52 H5 U 5 H5 URI 5 4.078 11.940 4.970 53 H6 U 5 H6 URI 5 2.873 12.664 3.016 54 H5' A 6 H5' ADE 6 -3.990 15.060 -2.369 55 H5'' A 6 H5'' ADE 6 -2.662 15.556 -3.436 56 H4' A 6 H4' ADE 6 -4.264 17.104 -1.560 57 H3' A 6 H3' ADE 6 -3.717 17.520 -4.148 58 HO3' A 6 H3T ADE 6 -3.927 19.871 -3.396 59 H2' A 6 H2' ADE 6 -1.333 17.840 -3.938 60 HO2' A 6 HO2' ADE 6 -2.153 19.792 -4.814 61 H1' A 6 H1' ADE 6 -1.811 19.506 -1.407 62 H8 A 6 H8 ADE 6 0.748 18.932 -3.624 63 H61 A 6 H61 ADE 6 4.523 17.751 -0.804 64 H62 A 6 H62 ADE 6 4.662 17.222 0.858 65 H2 A 6 H2 ADE 6 0.497 17.035 2.505 66 H1 GLY 510 HT1 GLY 510 11.919 -12.482 7.864 67 H2 GLY 510 HT2 GLY 510 11.873 -11.910 6.276 68 H3 GLY 510 HT3 GLY 510 11.039 -11.090 7.495 69 HA2 GLY 510 HA3 GLY 510 13.078 -9.936 6.890 70 HA3 GLY 510 HA2 GLY 510 13.071 -10.464 8.566 71 H ALA 511 HN ALA 511 15.441 -9.891 7.571 72 HA ALA 511 HA ALA 511 17.554 -10.645 7.286 73 HB1 ALA 511 HB1 ALA 511 16.422 -13.255 8.285 74 HB2 ALA 511 HB2 ALA 511 17.028 -11.940 9.290 75 HB3 ALA 511 HB3 ALA 511 18.130 -12.816 8.227 76 H MET 512 HN MET 512 15.987 -10.605 4.983 77 HA MET 512 HA MET 512 17.300 -12.743 3.457 78 HB2 MET 512 HB2 MET 512 14.927 -13.338 3.670 79 HB3 MET 512 HB3 MET 512 14.468 -11.769 3.026 80 HG2 MET 512 HG2 MET 512 15.554 -12.325 0.905 81 HG3 MET 512 HG3 MET 512 15.987 -13.906 1.552 82 HE1 MET 512 HE1 MET 512 14.402 -13.454 -1.192 83 HE2 MET 512 HE2 MET 512 13.199 -14.738 -1.071 84 HE3 MET 512 HE3 MET 512 14.862 -15.038 -0.566 85 H ALA 513 HN ALA 513 15.354 -9.793 2.946 86 HA ALA 513 HA ALA 513 17.547 -8.504 1.589 87 HB1 ALA 513 HB1 ALA 513 16.627 -9.938 -0.191 88 HB2 ALA 513 HB2 ALA 513 16.426 -8.222 -0.543 89 HB3 ALA 513 HB3 ALA 513 15.054 -9.171 0.028 90 H GLN 514 HN GLN 514 17.299 -6.307 1.449 91 HA GLN 514 HA GLN 514 16.429 -4.223 1.644 92 HB2 GLN 514 HB2 GLN 514 13.767 -5.629 1.529 93 HB3 GLN 514 HB3 GLN 514 14.012 -3.898 1.365 94 HG2 GLN 514 HG2 GLN 514 15.307 -4.279 -0.672 95 HG3 GLN 514 HG3 GLN 514 15.054 -6.016 -0.502 96 HE21 GLN 514 HE21 GLN 514 14.285 -4.280 -2.677 97 HE22 GLN 514 HE22 GLN 514 12.574 -4.422 -2.834 98 H ARG 515 HN ARG 515 16.354 -6.426 3.959 99 HA ARG 515 HA ARG 515 16.163 -6.409 6.218 100 HB2 ARG 515 HB2 ARG 515 15.926 -3.419 5.849 101 HB3 ARG 515 HB3 ARG 515 16.185 -4.232 7.385 102 HG2 ARG 515 HG2 ARG 515 18.322 -5.085 6.585 103 HG3 ARG 515 HG3 ARG 515 18.061 -4.285 5.033 104 HD2 ARG 515 HD2 ARG 515 17.993 -2.117 6.182 105 HD3 ARG 515 HD3 ARG 515 18.295 -2.933 7.717 106 HE ARG 515 HE ARG 515 20.296 -3.571 5.808 107 HH11 ARG 515 HH11 ARG 515 19.234 -1.023 7.960 108 HH12 ARG 515 HH12 ARG 515 20.817 -0.342 8.149 109 HH21 ARG 515 HH21 ARG 515 22.390 -2.669 6.042 110 HH22 ARG 515 HH22 ARG 515 22.616 -1.282 7.055 111 H LYS 516 HN LYS 516 13.814 -6.766 4.595 112 HA LYS 516 HA LYS 516 11.675 -5.292 5.841 113 HB2 LYS 516 HB2 LYS 516 11.603 -7.591 3.880 114 HB3 LYS 516 HB3 LYS 516 10.196 -6.677 4.412 115 HG2 LYS 516 HG2 LYS 516 12.564 -5.498 2.977 116 HG3 LYS 516 HG3 LYS 516 11.046 -5.962 2.207 117 HD2 LYS 516 HD2 LYS 516 9.839 -4.315 3.450 118 HD3 LYS 516 HD3 LYS 516 11.242 -3.974 4.465 119 HE2 LYS 516 HE2 LYS 516 10.907 -2.237 2.772 120 HE3 LYS 516 HE3 LYS 516 12.436 -3.078 2.545 121 HZ1 LYS 516 HZ1 LYS 516 11.418 -4.384 0.786 122 HZ2 LYS 516 HZ2 LYS 516 11.295 -2.725 0.453 123 HZ3 LYS 516 HZ3 LYS 516 9.945 -3.578 1.017 124 H GLY 517 HN GLY 517 12.547 -6.122 7.958 125 HA2 GLY 517 HA2 GLY 517 10.816 -8.374 8.734 126 HA3 GLY 517 HA3 GLY 517 12.459 -8.255 9.355 127 H ALA 518 HN ALA 518 13.005 -6.469 10.704 128 HA ALA 518 HA ALA 518 10.777 -5.383 12.220 129 HB1 ALA 518 HB1 ALA 518 12.484 -4.472 13.701 130 HB2 ALA 518 HB2 ALA 518 13.747 -4.964 12.574 131 HB3 ALA 518 HB3 ALA 518 12.781 -6.184 13.404 132 H GLY 519 HN GLY 519 10.126 -4.364 10.109 133 HA2 GLY 519 HA2 GLY 519 9.959 -1.807 9.803 134 HA3 GLY 519 HA3 GLY 519 11.674 -1.956 9.427 135 H ARG 520 HN ARG 520 8.581 -1.951 8.116 136 HA ARG 520 HA ARG 520 9.679 -3.065 5.624 137 HB2 ARG 520 HB2 ARG 520 6.886 -3.537 6.676 138 HB3 ARG 520 HB3 ARG 520 7.521 -4.113 5.141 139 HG2 ARG 520 HG2 ARG 520 8.841 -5.721 6.141 140 HG3 ARG 520 HG3 ARG 520 8.858 -4.884 7.697 141 HD2 ARG 520 HD2 ARG 520 6.506 -6.290 6.441 142 HD3 ARG 520 HD3 ARG 520 7.454 -6.862 7.815 143 HE ARG 520 HE ARG 520 5.641 -4.523 7.816 144 HH11 ARG 520 HH11 ARG 520 7.533 -6.926 9.556 145 HH12 ARG 520 HH12 ARG 520 6.851 -6.530 11.098 146 HH21 ARG 520 HH21 ARG 520 4.783 -3.981 9.842 147 HH22 ARG 520 HH22 ARG 520 5.275 -4.865 11.260 148 H VAL 521 HN VAL 521 9.412 -1.805 3.938 149 HA VAL 521 HA VAL 521 7.100 0.002 3.885 150 HB VAL 521 HB VAL 521 9.686 0.373 2.378 151 HG11 VAL 521 HG11 VAL 521 7.956 1.136 0.972 152 HG12 VAL 521 HG12 VAL 521 8.613 2.571 1.760 153 HG13 VAL 521 HG13 VAL 521 7.093 1.872 2.315 154 HG21 VAL 521 HG21 VAL 521 8.451 1.977 4.597 155 HG22 VAL 521 HG22 VAL 521 9.933 2.379 3.732 156 HG23 VAL 521 HG23 VAL 521 9.864 0.933 4.741 157 H VAL 522 HN VAL 522 5.563 -0.591 2.566 158 HA VAL 522 HA VAL 522 6.267 -2.157 0.171 159 HB VAL 522 HB VAL 522 3.661 -2.293 1.699 160 HG11 VAL 522 HG11 VAL 522 3.253 -4.305 0.354 161 HG12 VAL 522 HG12 VAL 522 4.760 -4.016 -0.517 162 HG13 VAL 522 HG13 VAL 522 3.430 -2.863 -0.649 163 HG21 VAL 522 HG21 VAL 522 4.416 -4.490 2.497 164 HG22 VAL 522 HG22 VAL 522 5.447 -3.181 3.078 165 HG23 VAL 522 HG23 VAL 522 5.990 -4.208 1.751 166 H HIS 523 HN HIS 523 5.791 -1.068 -1.711 167 HA HIS 523 HA HIS 523 4.300 1.423 -1.364 168 HB2 HIS 523 HB2 HIS 523 6.605 1.752 -1.996 169 HB3 HIS 523 HB3 HIS 523 6.467 0.582 -3.298 170 HD1 HIS 523 HD1 HIS 523 5.584 1.410 -5.527 171 HD2 HIS 523 HD2 HIS 523 5.418 4.288 -2.537 172 HE1 HIS 523 HE1 HIS 523 5.145 3.579 -6.707 173 HE2 HIS 523 HE2 HIS 523 5.288 5.327 -4.907 174 H ILE 524 HN ILE 524 2.538 1.792 -2.475 175 HA ILE 524 HA ILE 524 1.758 -0.097 -4.596 176 HB ILE 524 HB ILE 524 -0.061 1.582 -2.852 177 HG12 ILE 524 HG12 ILE 524 0.668 -1.348 -2.645 178 HG13 ILE 524 HG13 ILE 524 1.096 -0.089 -1.500 179 HG21 ILE 524 HG21 ILE 524 -0.619 -0.621 -4.835 180 HG22 ILE 524 HG22 ILE 524 -1.083 1.074 -4.966 181 HG23 ILE 524 HG23 ILE 524 -1.818 0.051 -3.732 182 HD11 ILE 524 HD11 ILE 524 -1.248 0.207 -0.934 183 HD12 ILE 524 HD12 ILE 524 -0.728 -1.463 -0.685 184 HD13 ILE 524 HD13 ILE 524 -1.691 -1.038 -2.103 185 H CYS 525 HN CYS 525 1.036 0.825 -6.541 186 HA CYS 525 HA CYS 525 0.982 3.736 -6.674 187 HB2 CYS 525 HB2 CYS 525 2.433 3.607 -8.766 188 HB3 CYS 525 HB3 CYS 525 3.243 3.396 -7.219 189 HG CYS 525 HG CYS 525 2.795 1.185 -9.725 190 H ASN 526 HN ASN 526 0.288 4.536 -8.773 191 HA ASN 526 HA ASN 526 -0.870 4.519 -10.747 192 HB2 ASN 526 HB2 ASN 526 -1.368 1.584 -10.225 193 HB3 ASN 526 HB3 ASN 526 -1.956 2.456 -11.636 194 HD21 ASN 526 HD21 ASN 526 -0.165 0.182 -11.476 195 HD22 ASN 526 HD22 ASN 526 1.302 0.666 -12.261 196 H LEU 527 HN LEU 527 -1.709 5.078 -8.068 197 HA LEU 527 HA LEU 527 -4.570 4.498 -8.075 198 HB2 LEU 527 HB2 LEU 527 -2.762 5.983 -6.164 199 HB3 LEU 527 HB1 LEU 527 -4.500 5.911 -5.968 200 HG LEU 527 HG LEU 527 -2.737 3.460 -6.009 201 HD11 LEU 527 HD11 LEU 527 -2.105 4.876 -4.126 202 HD12 LEU 527 HD12 LEU 527 -2.987 3.455 -3.566 203 HD13 LEU 527 HD13 LEU 527 -3.796 5.019 -3.651 204 HD21 LEU 527 HD21 LEU 527 -4.687 2.403 -4.988 205 HD22 LEU 527 HD22 LEU 527 -5.091 3.091 -6.561 206 HD23 LEU 527 HD23 LEU 527 -5.570 3.926 -5.085 207 HA PRO 528 HA PRO 528 -5.012 8.323 -10.373 208 HB2 PRO 528 HB2 PRO 528 -7.893 8.014 -9.978 209 HB3 PRO 528 HB1 PRO 528 -6.966 7.974 -11.478 210 HG2 PRO 528 HG2 PRO 528 -8.137 5.774 -10.415 211 HG3 PRO 528 HG3 PRO 528 -6.647 5.703 -11.372 212 HD2 PRO 528 HD2 PRO 528 -7.007 5.571 -8.407 213 HD3 PRO 528 HD3 PRO 528 -5.882 4.676 -9.453 214 H GLU 529 HN GLU 529 -4.977 10.348 -9.612 215 HA GLU 529 HA GLU 529 -5.595 10.962 -6.921 216 HB2 GLU 529 HB2 GLU 529 -3.917 12.215 -8.188 217 HB3 GLU 529 HB3 GLU 529 -5.168 12.811 -9.276 218 HG2 GLU 529 HG2 GLU 529 -6.240 13.913 -7.313 219 HG3 GLU 529 HG3 GLU 529 -4.842 13.435 -6.351 220 H GLY 530 HN GLY 530 -7.451 11.685 -6.001 221 HA2 GLY 530 HA2 GLY 530 -9.642 12.570 -6.021 222 HA3 GLY 530 HA3 GLY 530 -9.692 12.340 -7.766 223 H SER 531 HN SER 531 -8.301 9.679 -6.439 224 HA SER 531 HA SER 531 -10.757 8.256 -5.834 225 HB2 SER 531 HB2 SER 531 -10.429 8.056 -8.307 226 HB3 SER 531 HB3 SER 531 -8.862 7.313 -7.998 227 HG SER 531 HG SER 531 -10.230 5.809 -6.623 228 H CYS 532 HN CYS 532 -7.862 9.103 -4.893 229 HA CYS 532 HA CYS 532 -6.805 6.494 -4.132 230 HB2 CYS 532 HB2 CYS 532 -5.745 9.258 -3.491 231 HB3 CYS 532 HB3 CYS 532 -4.902 7.737 -3.230 232 HG CYS 532 HG CYS 532 -5.805 8.195 -6.407 233 H THR 533 HN THR 533 -8.524 5.860 -2.707 234 HA THR 533 HA THR 533 -8.974 7.633 -0.416 235 HB THR 533 HB THR 533 -10.860 6.226 0.144 236 HG1 THR 533 HG1 THR 533 -10.999 4.505 -1.875 237 HG21 THR 533 HG21 THR 533 -11.259 7.881 -1.614 238 HG22 THR 533 HG22 THR 533 -12.239 6.438 -1.871 239 HG23 THR 533 HG23 THR 533 -10.789 6.701 -2.837 240 H GLU 534 HN GLU 534 -8.699 6.873 1.712 241 HA GLU 534 HA GLU 534 -6.499 5.151 2.134 242 HB2 GLU 534 HB2 GLU 534 -8.569 6.081 4.126 243 HB3 GLU 534 HB3 GLU 534 -6.974 5.449 4.499 244 HG2 GLU 534 HG2 GLU 534 -5.909 7.375 3.431 245 HG3 GLU 534 HG3 GLU 534 -7.498 7.968 2.934 246 H ASN 535 HN ASN 535 -9.923 4.791 2.062 247 HA ASN 535 HA ASN 535 -10.090 2.312 3.391 248 HB2 ASN 535 HB2 ASN 535 -11.956 3.724 1.497 249 HB3 ASN 535 HB3 ASN 535 -12.333 2.142 2.172 250 HD21 ASN 535 HD21 ASN 535 -14.102 2.897 3.304 251 HD22 ASN 535 HD22 ASN 535 -13.951 3.901 4.703 252 H ASP 536 HN ASP 536 -9.829 3.079 -0.125 253 HA ASP 536 HA ASP 536 -10.332 0.356 -0.870 254 HB2 ASP 536 HB2 ASP 536 -9.312 2.744 -2.398 255 HB3 ASP 536 HB3 ASP 536 -9.378 1.147 -3.132 256 H VAL 537 HN VAL 537 -7.478 2.330 -0.602 257 HA VAL 537 HA VAL 537 -5.581 0.495 -1.597 258 HB VAL 537 HB VAL 537 -5.096 2.630 0.499 259 HG11 VAL 537 HG11 VAL 537 -3.225 1.051 0.200 260 HG12 VAL 537 HG12 VAL 537 -2.821 2.683 -0.337 261 HG13 VAL 537 HG13 VAL 537 -3.207 1.434 -1.523 262 HG21 VAL 537 HG21 VAL 537 -6.224 3.596 -1.400 263 HG22 VAL 537 HG22 VAL 537 -5.103 2.807 -2.508 264 HG23 VAL 537 HG23 VAL 537 -4.526 4.073 -1.427 265 H ILE 538 HN ILE 538 -6.593 1.188 1.721 266 HA ILE 538 HA ILE 538 -5.104 -0.924 2.878 267 HB ILE 538 HB ILE 538 -7.432 0.652 3.951 268 HG12 ILE 538 HG12 ILE 538 -4.462 0.754 4.509 269 HG13 ILE 538 HG13 ILE 538 -5.366 1.919 3.545 270 HG21 ILE 538 HG21 ILE 538 -6.667 -0.268 6.155 271 HG22 ILE 538 HG22 ILE 538 -5.688 -1.426 5.254 272 HG23 ILE 538 HG23 ILE 538 -7.442 -1.440 5.093 273 HD11 ILE 538 HD11 ILE 538 -6.597 2.641 5.458 274 HD12 ILE 538 HD12 ILE 538 -4.874 2.667 5.854 275 HD13 ILE 538 HD13 ILE 538 -5.900 1.357 6.446 276 H ASN 539 HN ASN 539 -8.407 -0.728 1.579 277 HA ASN 539 HA ASN 539 -9.379 -3.176 2.490 278 HB2 ASN 539 HB2 ASN 539 -9.873 -1.848 -0.185 279 HB3 ASN 539 HB3 ASN 539 -10.703 -3.302 0.341 280 HD21 ASN 539 HD21 ASN 539 -10.936 -2.321 3.118 281 HD22 ASN 539 HD22 ASN 539 -12.188 -1.143 3.066 282 H LEU 540 HN LEU 540 -7.052 -2.450 0.001 283 HA LEU 540 HA LEU 540 -6.987 -5.103 -1.060 284 HB2 LEU 540 HB2 LEU 540 -4.935 -2.886 -1.146 285 HB3 LEU 540 HB1 LEU 540 -4.872 -4.357 -2.098 286 HG LEU 540 HG LEU 540 -6.957 -2.184 -2.320 287 HD11 LEU 540 HD11 LEU 540 -4.748 -3.026 -4.188 288 HD12 LEU 540 HD12 LEU 540 -4.782 -1.553 -3.219 289 HD13 LEU 540 HD13 LEU 540 -5.963 -1.790 -4.506 290 HD21 LEU 540 HD21 LEU 540 -6.634 -4.756 -3.864 291 HD22 LEU 540 HD22 LEU 540 -7.746 -3.453 -4.278 292 HD23 LEU 540 HD23 LEU 540 -7.955 -4.343 -2.771 293 H GLY 541 HN GLY 541 -5.091 -3.258 1.307 294 HA2 GLY 541 HA2 GLY 541 -3.234 -5.275 1.894 295 HA3 GLY 541 HA3 GLY 541 -3.636 -3.913 2.929 296 H LEU 542 HN LEU 542 -6.188 -4.449 3.734 297 HA LEU 542 HA LEU 542 -5.522 -5.935 5.973 298 HB2 LEU 542 HB2 LEU 542 -8.128 -4.952 4.928 299 HB3 LEU 542 HB1 LEU 542 -8.070 -5.933 6.378 300 HG LEU 542 HG LEU 542 -6.525 -3.367 6.039 301 HD11 LEU 542 HD11 LEU 542 -8.242 -2.353 7.459 302 HD12 LEU 542 HD12 LEU 542 -9.172 -3.850 7.390 303 HD13 LEU 542 HD13 LEU 542 -8.907 -2.909 5.924 304 HD21 LEU 542 HD21 LEU 542 -6.319 -3.511 8.473 305 HD22 LEU 542 HD22 LEU 542 -5.611 -4.918 7.683 306 HD23 LEU 542 HD23 LEU 542 -7.187 -5.045 8.456 307 HA PRO 543 HA PRO 543 -8.318 -9.609 4.396 308 HB2 PRO 543 HB2 PRO 543 -7.755 -9.399 1.479 309 HB3 PRO 543 HB1 PRO 543 -9.242 -9.878 2.311 310 HG2 PRO 543 HG2 PRO 543 -9.097 -7.485 1.207 311 HG3 PRO 543 HG3 PRO 543 -9.812 -7.659 2.828 312 HD2 PRO 543 HD2 PRO 543 -7.036 -6.770 2.075 313 HD3 PRO 543 HD3 PRO 543 -8.173 -6.033 3.224 314 H PHE 544 HN PHE 544 -5.234 -8.693 2.890 315 HA PHE 544 HA PHE 544 -4.383 -11.486 2.999 316 HB2 PHE 544 HB2 PHE 544 -3.016 -9.038 1.882 317 HB3 PHE 544 HB3 PHE 544 -2.344 -10.662 1.842 318 HD1 PHE 544 HD1 PHE 544 -3.498 -12.413 0.503 319 HD2 PHE 544 HD2 PHE 544 -4.563 -8.306 0.285 320 HE1 PHE 544 HE1 PHE 544 -4.628 -12.826 -1.643 321 HE2 PHE 544 HE2 PHE 544 -5.699 -8.707 -1.858 322 HZ PHE 544 HZ PHE 544 -5.727 -10.971 -2.828 323 H GLY 545 HN GLY 545 -4.215 -8.624 4.831 324 HA2 GLY 545 HA2 GLY 545 -2.859 -9.807 6.976 325 HA3 GLY 545 HA3 GLY 545 -1.684 -8.899 6.036 326 H LYS 546 HN LYS 546 -2.589 -8.399 8.761 327 HA LYS 546 HA LYS 546 -4.452 -6.275 8.802 328 HB2 LYS 546 HB2 LYS 546 -3.982 -7.566 10.799 329 HB3 LYS 546 HB3 LYS 546 -2.309 -7.035 10.791 330 HG2 LYS 546 HG2 LYS 546 -3.076 -4.717 11.161 331 HG3 LYS 546 HG3 LYS 546 -4.736 -5.312 11.261 332 HD2 LYS 546 HD2 LYS 546 -2.475 -6.182 13.063 333 HD3 LYS 546 HD3 LYS 546 -3.688 -4.970 13.481 334 HE2 LYS 546 HE2 LYS 546 -5.446 -6.613 13.327 335 HE3 LYS 546 HE3 LYS 546 -4.310 -7.826 12.744 336 HZ1 LYS 546 HZ1 LYS 546 -4.804 -8.116 15.092 337 HZ2 LYS 546 HZ2 LYS 546 -4.238 -6.555 15.426 338 HZ3 LYS 546 HZ3 LYS 546 -3.170 -7.738 14.865 339 H VAL 547 HN VAL 547 -4.237 -4.198 8.369 340 HA VAL 547 HA VAL 547 -1.674 -3.159 7.513 341 HB VAL 547 HB VAL 547 -4.465 -2.008 7.457 342 HG11 VAL 547 HG11 VAL 547 -3.628 -0.173 6.158 343 HG12 VAL 547 HG12 VAL 547 -1.989 -0.831 6.205 344 HG13 VAL 547 HG13 VAL 547 -2.742 -0.231 7.683 345 HG21 VAL 547 HG21 VAL 547 -4.101 -2.261 4.978 346 HG22 VAL 547 HG22 VAL 547 -4.272 -3.755 5.893 347 HG23 VAL 547 HG23 VAL 547 -2.675 -3.219 5.375 348 H THR 548 HN THR 548 -0.353 -2.318 8.965 349 HA THR 548 HA THR 548 -1.409 -1.223 11.442 350 HB THR 548 HB THR 548 1.049 -1.076 12.044 351 HG1 THR 548 HG1 THR 548 2.109 -2.747 10.381 352 HG21 THR 548 HG21 THR 548 -0.328 -2.968 12.757 353 HG22 THR 548 HG22 THR 548 1.301 -3.505 12.347 354 HG23 THR 548 HG23 THR 548 -0.027 -3.779 11.219 355 H ASN 549 HN ASN 549 0.321 -0.201 8.585 356 HA ASN 549 HA ASN 549 -0.262 2.587 9.253 357 HB2 ASN 549 HB2 ASN 549 2.495 1.579 8.503 358 HB3 ASN 549 HB3 ASN 549 2.039 3.274 8.525 359 HD21 ASN 549 HD21 ASN 549 1.778 4.312 10.486 360 HD22 ASN 549 HD22 ASN 549 2.340 3.641 11.973 361 H TYR 550 HN TYR 550 -0.310 3.972 7.435 362 HA TYR 550 HA TYR 550 0.140 2.885 4.799 363 HB2 TYR 550 HB2 TYR 550 -2.160 3.243 4.042 364 HB3 TYR 550 HB3 TYR 550 -2.126 2.074 5.358 365 HD1 TYR 550 HD1 TYR 550 -3.740 4.886 4.114 366 HD2 TYR 550 HD2 TYR 550 -2.468 3.172 7.787 367 HE1 TYR 550 HE1 TYR 550 -5.370 6.260 5.328 368 HE2 TYR 550 HE2 TYR 550 -4.108 4.545 9.004 369 HH TYR 550 HH TYR 550 -6.410 6.599 7.250 370 H ILE 551 HN ILE 551 0.135 4.555 3.171 371 HA ILE 551 HA ILE 551 -0.121 7.316 4.123 372 HB ILE 551 HB ILE 551 2.319 6.340 2.629 373 HG12 ILE 551 HG12 ILE 551 2.124 7.098 5.558 374 HG13 ILE 551 HG13 ILE 551 2.299 5.455 4.953 375 HG21 ILE 551 HG21 ILE 551 1.748 8.655 2.198 376 HG22 ILE 551 HG22 ILE 551 3.223 8.562 3.162 377 HG23 ILE 551 HG23 ILE 551 1.693 8.987 3.930 378 HD11 ILE 551 HD11 ILE 551 4.294 7.681 4.622 379 HD12 ILE 551 HD12 ILE 551 4.470 6.037 4.010 380 HD13 ILE 551 HD13 ILE 551 4.412 6.328 5.749 381 H LEU 552 HN LEU 552 -1.159 8.497 2.526 382 HA LEU 552 HA LEU 552 -1.347 7.167 -0.082 383 HB2 LEU 552 HB2 LEU 552 -3.329 8.901 1.370 384 HB3 LEU 552 HB1 LEU 552 -3.452 8.553 -0.347 385 HG LEU 552 HG LEU 552 -3.723 6.668 1.974 386 HD11 LEU 552 HD11 LEU 552 -5.687 7.893 1.436 387 HD12 LEU 552 HD12 LEU 552 -5.886 6.257 0.809 388 HD13 LEU 552 HD13 LEU 552 -5.481 7.576 -0.284 389 HD21 LEU 552 HD21 LEU 552 -2.362 5.531 0.306 390 HD22 LEU 552 HD22 LEU 552 -3.505 5.982 -0.957 391 HD23 LEU 552 HD23 LEU 552 -3.997 4.872 0.323 392 H MET 553 HN MET 553 -0.381 8.182 -1.743 393 HA MET 553 HA MET 553 0.033 11.088 -1.436 394 HB2 MET 553 HB2 MET 553 1.702 9.118 -3.014 395 HB3 MET 553 HB3 MET 553 1.933 10.859 -3.016 396 HG2 MET 553 HG2 MET 553 2.427 10.776 -0.612 397 HG3 MET 553 HG3 MET 553 2.253 9.022 -0.656 398 HE1 MET 553 HE1 MET 553 5.222 7.953 -2.961 399 HE2 MET 553 HE2 MET 553 3.548 8.250 -3.422 400 HE3 MET 553 HE3 MET 553 3.909 7.394 -1.925 401 H LYS 554 HN LYS 554 -2.201 11.097 -2.267 402 HA LYS 554 HA LYS 554 -3.014 10.530 -4.757 403 HB2 LYS 554 HB2 LYS 554 -3.751 13.270 -4.120 404 HB3 LYS 554 HB3 LYS 554 -4.763 11.842 -4.276 405 HG2 LYS 554 HG2 LYS 554 -3.155 12.478 -1.813 406 HG3 LYS 554 HG3 LYS 554 -4.825 12.979 -2.047 407 HD2 LYS 554 HD2 LYS 554 -5.515 10.645 -2.217 408 HD3 LYS 554 HD3 LYS 554 -3.837 10.117 -2.039 409 HE2 LYS 554 HE2 LYS 554 -5.081 9.935 0.066 410 HE3 LYS 554 HE3 LYS 554 -3.755 11.088 0.190 411 HZ1 LYS 554 HZ1 LYS 554 -6.621 11.771 -0.196 412 HZ2 LYS 554 HZ2 LYS 554 -5.351 12.886 -0.093 413 HZ3 LYS 554 HZ3 LYS 554 -5.746 11.927 1.244 414 H SER 555 HN SER 555 -0.501 12.821 -3.994 415 HA SER 555 HA SER 555 -0.888 14.509 -6.255 416 HB2 SER 555 HB2 SER 555 1.335 15.415 -5.571 417 HB3 SER 555 HB3 SER 555 0.166 15.373 -4.250 418 HG SER 555 HG SER 555 2.334 14.554 -3.762 419 H THR 556 HN THR 556 1.275 11.811 -5.460 420 HA THR 556 HA THR 556 2.435 11.916 -8.135 421 HB THR 556 HB THR 556 4.001 10.184 -7.231 422 HG1 THR 556 HG1 THR 556 3.795 10.328 -4.707 423 HG21 THR 556 HG21 THR 556 5.216 11.704 -5.736 424 HG22 THR 556 HG22 THR 556 3.785 12.727 -5.614 425 HG23 THR 556 HG23 THR 556 4.611 12.547 -7.161 426 H ASN 557 HN ASN 557 -0.250 10.608 -6.924 427 HA ASN 557 HA ASN 557 -1.613 8.856 -7.419 428 HB2 ASN 557 HB2 ASN 557 0.199 8.745 -9.834 429 HB3 ASN 557 HB3 ASN 557 -1.158 7.647 -9.628 430 HD21 ASN 557 HD21 ASN 557 -1.273 10.970 -8.552 431 HD22 ASN 557 HD22 ASN 557 -2.394 11.518 -9.746 432 H GLN 558 HN GLN 558 0.375 8.429 -5.588 433 HA GLN 558 HA GLN 558 0.918 5.568 -5.882 434 HB2 GLN 558 HB2 GLN 558 3.007 7.618 -5.119 435 HB3 GLN 558 HB3 GLN 558 3.230 5.874 -5.062 436 HG2 GLN 558 HG2 GLN 558 2.987 5.735 -7.459 437 HG3 GLN 558 HG3 GLN 558 2.636 7.462 -7.543 438 HE21 GLN 558 HE21 GLN 558 4.362 7.878 -8.892 439 HE22 GLN 558 HE22 GLN 558 6.001 7.846 -8.342 440 H ALA 559 HN ALA 559 1.584 4.595 -3.733 441 HA ALA 559 HA ALA 559 1.014 6.167 -1.395 442 HB1 ALA 559 HB1 ALA 559 -0.861 4.745 -0.653 443 HB2 ALA 559 HB2 ALA 559 -0.880 3.993 -2.255 444 HB3 ALA 559 HB3 ALA 559 -1.238 5.715 -2.082 445 H PHE 560 HN PHE 560 1.186 4.870 0.577 446 HA PHE 560 HA PHE 560 2.950 2.520 0.224 447 HB2 PHE 560 HB2 PHE 560 3.056 4.648 2.363 448 HB3 PHE 560 HB3 PHE 560 3.964 3.148 2.433 449 HD1 PHE 560 HD1 PHE 560 5.662 2.680 0.639 450 HD2 PHE 560 HD2 PHE 560 3.862 6.498 1.177 451 HE1 PHE 560 HE1 PHE 560 7.502 3.723 -0.618 452 HE2 PHE 560 HE2 PHE 560 5.696 7.546 -0.081 453 HZ PHE 560 HZ PHE 560 7.518 6.158 -0.980 454 H LEU 561 HN LEU 561 2.703 0.784 1.602 455 HA LEU 561 HA LEU 561 0.417 0.836 3.438 456 HB2 LEU 561 HB2 LEU 561 -0.312 -0.024 1.235 457 HB3 LEU 561 HB1 LEU 561 0.922 -1.262 1.322 458 HG LEU 561 HG LEU 561 -0.222 -2.223 3.300 459 HD11 LEU 561 HD11 LEU 561 -1.317 -0.219 4.125 460 HD12 LEU 561 HD12 LEU 561 -2.507 -1.482 3.807 461 HD13 LEU 561 HD13 LEU 561 -2.315 -0.146 2.673 462 HD21 LEU 561 HD21 LEU 561 -2.019 -3.244 2.062 463 HD22 LEU 561 HD22 LEU 561 -0.649 -3.008 0.974 464 HD23 LEU 561 HD23 LEU 561 -2.032 -1.915 0.904 465 H GLU 562 HN GLU 562 1.156 0.229 5.344 466 HA GLU 562 HA GLU 562 3.350 -1.725 5.500 467 HB2 GLU 562 HB2 GLU 562 3.037 0.660 6.819 468 HB3 GLU 562 HB3 GLU 562 2.456 -0.494 8.011 469 HG2 GLU 562 HG2 GLU 562 5.141 -0.600 6.649 470 HG3 GLU 562 HG3 GLU 562 4.841 0.020 8.269 471 H MET 563 HN MET 563 3.138 -3.620 6.576 472 HA MET 563 HA MET 563 0.370 -4.380 7.241 473 HB2 MET 563 HB2 MET 563 2.416 -6.093 5.814 474 HB3 MET 563 HB3 MET 563 0.718 -6.476 6.089 475 HG2 MET 563 HG2 MET 563 -0.019 -4.933 4.519 476 HG3 MET 563 HG3 MET 563 1.493 -4.030 4.558 477 HE1 MET 563 HE1 MET 563 0.103 -4.646 1.835 478 HE2 MET 563 HE2 MET 563 1.440 -5.254 0.861 479 HE3 MET 563 HE3 MET 563 1.685 -3.872 1.929 480 H ALA 564 HN ALA 564 0.351 -6.482 8.621 481 HA ALA 564 HA ALA 564 1.786 -5.818 10.949 482 HB1 ALA 564 HB1 ALA 564 0.834 -7.834 11.919 483 HB2 ALA 564 HB2 ALA 564 0.345 -8.385 10.319 484 HB3 ALA 564 HB3 ALA 564 -0.379 -6.935 11.011 485 H TYR 565 HN TYR 565 2.282 -8.366 8.551 486 HA TYR 565 HA TYR 565 4.957 -8.793 9.687 487 HB2 TYR 565 HB2 TYR 565 3.030 -10.945 8.790 488 HB3 TYR 565 HB3 TYR 565 4.717 -11.224 9.205 489 HD1 TYR 565 HD1 TYR 565 1.363 -10.766 10.473 490 HD2 TYR 565 HD2 TYR 565 5.475 -10.864 11.559 491 HE1 TYR 565 HE1 TYR 565 0.728 -11.057 12.830 492 HE2 TYR 565 HE2 TYR 565 4.850 -11.156 13.920 493 HH TYR 565 HH TYR 565 1.659 -11.902 14.899 494 H THR 566 HN THR 566 6.474 -9.734 8.187 495 HA THR 566 HA THR 566 6.393 -8.415 5.671 496 HB THR 566 HB THR 566 8.504 -8.950 6.936 497 HG1 THR 566 HG1 THR 566 9.651 -9.023 5.066 498 HG21 THR 566 HG21 THR 566 8.103 -11.272 7.497 499 HG22 THR 566 HG22 THR 566 9.550 -11.149 6.497 500 HG23 THR 566 HG23 THR 566 8.034 -11.704 5.789 501 H GLU 567 HN GLU 567 5.523 -11.597 6.744 502 HA GLU 567 HA GLU 567 5.404 -13.000 4.342 503 HB2 GLU 567 HB2 GLU 567 3.650 -14.362 5.441 504 HB3 GLU 567 HB3 GLU 567 5.060 -14.114 6.458 505 HG2 GLU 567 HG2 GLU 567 3.905 -12.446 7.741 506 HG3 GLU 567 HG3 GLU 567 2.509 -12.522 6.668 507 H ALA 568 HN ALA 568 3.320 -10.530 5.626 508 HA ALA 568 HA ALA 568 1.088 -11.095 3.918 509 HB1 ALA 568 HB1 ALA 568 0.789 -9.978 6.076 510 HB2 ALA 568 HB2 ALA 568 0.176 -8.992 4.750 511 HB3 ALA 568 HB3 ALA 568 1.727 -8.603 5.496 512 H ALA 569 HN ALA 569 3.804 -8.845 3.908 513 HA ALA 569 HA ALA 569 2.958 -7.243 1.767 514 HB1 ALA 569 HB1 ALA 569 5.282 -6.490 1.677 515 HB2 ALA 569 HB2 ALA 569 5.759 -7.830 2.720 516 HB3 ALA 569 HB3 ALA 569 4.696 -6.566 3.338 517 H GLN 570 HN GLN 570 5.058 -10.094 1.875 518 HA GLN 570 HA GLN 570 5.657 -9.998 -0.904 519 HB2 GLN 570 HB2 GLN 570 6.614 -12.248 -0.575 520 HB3 GLN 570 HB3 GLN 570 7.200 -11.081 0.599 521 HG2 GLN 570 HG2 GLN 570 5.483 -11.997 2.194 522 HG3 GLN 570 HG3 GLN 570 5.217 -13.292 1.024 523 HE21 GLN 570 HE21 GLN 570 6.888 -14.768 0.617 524 HE22 GLN 570 HE22 GLN 570 8.202 -14.978 1.724 525 H ALA 571 HN ALA 571 3.205 -11.613 1.026 526 HA ALA 571 HA ALA 571 2.200 -13.309 -0.986 527 HB1 ALA 571 HB1 ALA 571 1.686 -13.601 1.390 528 HB2 ALA 571 HB2 ALA 571 0.219 -13.497 0.418 529 HB3 ALA 571 HB3 ALA 571 0.749 -12.109 1.369 530 H MET 572 HN MET 572 1.326 -10.012 0.010 531 HA MET 572 HA MET 572 -0.827 -9.756 -1.814 532 HB2 MET 572 HB2 MET 572 0.860 -7.519 -0.683 533 HB3 MET 572 HB3 MET 572 -0.758 -7.381 -1.359 534 HG2 MET 572 HG2 MET 572 -1.471 -8.985 0.487 535 HG3 MET 572 HG3 MET 572 0.094 -8.634 1.218 536 HE1 MET 572 HE1 MET 572 -1.961 -8.124 3.161 537 HE2 MET 572 HE2 MET 572 -1.788 -6.432 3.622 538 HE3 MET 572 HE3 MET 572 -0.356 -7.425 3.356 539 H VAL 573 HN VAL 573 2.603 -8.834 -1.998 540 HA VAL 573 HA VAL 573 2.486 -7.544 -4.475 541 HB VAL 573 HB VAL 573 4.765 -9.138 -3.281 542 HG11 VAL 573 HG11 VAL 573 5.058 -8.925 -5.693 543 HG12 VAL 573 HG12 VAL 573 6.218 -7.913 -4.831 544 HG13 VAL 573 HG13 VAL 573 4.799 -7.184 -5.583 545 HG21 VAL 573 HG21 VAL 573 5.649 -6.910 -2.688 546 HG22 VAL 573 HG22 VAL 573 4.114 -7.266 -1.898 547 HG23 VAL 573 HG23 VAL 573 4.158 -6.183 -3.289 548 H GLN 574 HN GLN 574 3.096 -10.967 -3.708 549 HA GLN 574 HA GLN 574 3.402 -11.834 -6.361 550 HB2 GLN 574 HB2 GLN 574 2.495 -13.298 -3.888 551 HB3 GLN 574 HB3 GLN 574 2.745 -14.097 -5.435 552 HG2 GLN 574 HG2 GLN 574 4.792 -12.703 -3.734 553 HG3 GLN 574 HG3 GLN 574 4.704 -14.418 -4.140 554 HE21 GLN 574 HE21 GLN 574 5.640 -11.272 -5.198 555 HE22 GLN 574 HE22 GLN 574 6.438 -11.759 -6.644 556 H TYR 575 HN TYR 575 0.543 -11.366 -4.387 557 HA TYR 575 HA TYR 575 -1.265 -12.643 -6.182 558 HB2 TYR 575 HB2 TYR 575 -1.957 -12.350 -3.897 559 HB3 TYR 575 HB3 TYR 575 -1.727 -10.609 -3.992 560 HD1 TYR 575 HD1 TYR 575 -3.426 -9.183 -4.925 561 HD2 TYR 575 HD2 TYR 575 -3.860 -13.413 -5.054 562 HE1 TYR 575 HE1 TYR 575 -5.784 -8.920 -5.574 563 HE2 TYR 575 HE2 TYR 575 -6.212 -13.159 -5.701 564 HH TYR 575 HH TYR 575 -7.529 -10.228 -6.747 565 H TYR 576 HN TYR 576 -0.551 -9.199 -5.572 566 HA TYR 576 HA TYR 576 -2.207 -8.351 -7.724 567 HB2 TYR 576 HB2 TYR 576 -0.205 -6.840 -6.049 568 HB3 TYR 576 HB3 TYR 576 -1.251 -6.083 -7.250 569 HD1 TYR 576 HD1 TYR 576 -3.734 -6.155 -6.931 570 HD2 TYR 576 HD2 TYR 576 -1.043 -7.442 -3.901 571 HE1 TYR 576 HE1 TYR 576 -5.547 -6.035 -5.272 572 HE2 TYR 576 HE2 TYR 576 -2.843 -7.320 -2.234 573 HH TYR 576 HH TYR 576 -4.962 -6.347 -1.867 574 H GLN 577 HN GLN 577 1.044 -9.426 -7.659 575 HA GLN 577 HA GLN 577 1.925 -8.215 -10.075 576 HB2 GLN 577 HB2 GLN 577 2.638 -10.831 -8.753 577 HB3 GLN 577 HB3 GLN 577 3.338 -10.349 -10.288 578 HG2 GLN 577 HG2 GLN 577 3.529 -8.673 -7.807 579 HG3 GLN 577 HG3 GLN 577 4.715 -9.903 -8.235 580 HE21 GLN 577 HE21 GLN 577 6.387 -8.499 -8.496 581 HE22 GLN 577 HE22 GLN 577 6.482 -7.367 -9.797 582 H GLU 578 HN GLU 578 0.150 -11.157 -9.349 583 HA GLU 578 HA GLU 578 -0.159 -11.777 -12.168 584 HB2 GLU 578 HB2 GLU 578 -1.150 -13.191 -9.693 585 HB3 GLU 578 HB3 GLU 578 -1.289 -13.810 -11.333 586 HG2 GLU 578 HG2 GLU 578 1.316 -13.189 -9.961 587 HG3 GLU 578 HG3 GLU 578 0.584 -14.789 -10.057 588 H LYS 579 HN LYS 579 -2.233 -10.801 -9.440 589 HA LYS 579 HA LYS 579 -4.291 -10.085 -11.413 590 HB2 LYS 579 HB2 LYS 579 -4.716 -11.251 -8.653 591 HB3 LYS 579 HB3 LYS 579 -5.994 -10.648 -9.698 592 HG2 LYS 579 HG2 LYS 579 -5.417 -12.371 -11.357 593 HG3 LYS 579 HG3 LYS 579 -4.191 -12.995 -10.253 594 HD2 LYS 579 HD2 LYS 579 -5.890 -13.512 -8.607 595 HD3 LYS 579 HD3 LYS 579 -7.136 -12.794 -9.630 596 HE2 LYS 579 HE2 LYS 579 -7.203 -15.200 -9.828 597 HE3 LYS 579 HE3 LYS 579 -6.667 -14.492 -11.349 598 HZ1 LYS 579 HZ1 LYS 579 -4.882 -15.677 -9.294 599 HZ2 LYS 579 HZ2 LYS 579 -4.396 -15.051 -10.787 600 HZ3 LYS 579 HZ3 LYS 579 -5.361 -16.438 -10.727 601 HA PRO 580 HA PRO 580 -3.116 -6.309 -9.064 602 HB2 PRO 580 HB2 PRO 580 -3.511 -4.610 -11.138 603 HB3 PRO 580 HB1 PRO 580 -2.005 -5.505 -10.911 604 HG2 PRO 580 HG2 PRO 580 -4.311 -6.103 -12.723 605 HG3 PRO 580 HG3 PRO 580 -2.571 -6.208 -13.051 606 HD2 PRO 580 HD2 PRO 580 -4.088 -8.376 -12.464 607 HD3 PRO 580 HD3 PRO 580 -2.374 -8.257 -12.022 608 H ALA 581 HN ALA 581 -4.389 -4.429 -8.513 609 HA ALA 581 HA ALA 581 -7.260 -4.983 -8.646 610 HB1 ALA 581 HB1 ALA 581 -6.304 -4.544 -6.439 611 HB2 ALA 581 HB2 ALA 581 -7.452 -3.283 -6.884 612 HB3 ALA 581 HB3 ALA 581 -5.718 -2.977 -6.996 613 H ILE 582 HN ILE 582 -8.685 -3.616 -9.692 614 HA ILE 582 HA ILE 582 -7.379 -1.601 -11.387 615 HB ILE 582 HB ILE 582 -10.038 -2.961 -11.838 616 HG12 ILE 582 HG12 ILE 582 -7.359 -3.481 -13.144 617 HG13 ILE 582 HG13 ILE 582 -8.127 -4.534 -11.964 618 HG21 ILE 582 HG21 ILE 582 -9.843 -2.040 -14.104 619 HG22 ILE 582 HG22 ILE 582 -8.357 -1.215 -13.634 620 HG23 ILE 582 HG23 ILE 582 -9.889 -0.770 -12.881 621 HD11 ILE 582 HD11 ILE 582 -8.420 -5.372 -14.221 622 HD12 ILE 582 HD12 ILE 582 -9.198 -3.863 -14.696 623 HD13 ILE 582 HD13 ILE 582 -9.971 -4.920 -13.515 624 H ILE 583 HN ILE 583 -7.787 0.469 -11.055 625 HA ILE 583 HA ILE 583 -10.345 1.249 -9.829 626 HB ILE 583 HB ILE 583 -7.609 2.332 -9.141 627 HG12 ILE 583 HG12 ILE 583 -8.373 0.302 -7.911 628 HG13 ILE 583 HG13 ILE 583 -8.155 1.703 -6.866 629 HG21 ILE 583 HG21 ILE 583 -8.741 4.008 -7.768 630 HG22 ILE 583 HG22 ILE 583 -10.302 3.436 -8.360 631 HG23 ILE 583 HG23 ILE 583 -9.159 4.183 -9.475 632 HD11 ILE 583 HD11 ILE 583 -10.151 0.531 -6.239 633 HD12 ILE 583 HD12 ILE 583 -10.762 0.612 -7.891 634 HD13 ILE 583 HD13 ILE 583 -10.589 2.088 -6.941 635 H ASN 584 HN ASN 584 -11.425 2.378 -11.309 636 HA ASN 584 HA ASN 584 -11.936 3.725 -13.059 637 HB2 ASN 584 HB2 ASN 584 -9.591 5.256 -11.930 638 HB3 ASN 584 HB3 ASN 584 -10.577 5.859 -13.256 639 HD21 ASN 584 HD21 ASN 584 -10.184 6.943 -10.582 640 HD22 ASN 584 HD22 ASN 584 -11.753 7.041 -9.866 641 H GLY 585 HN GLY 585 -10.294 1.472 -13.608 642 HA2 GLY 585 HA2 GLY 585 -9.582 0.641 -15.650 643 HA3 GLY 585 HA3 GLY 585 -9.402 2.282 -16.243 644 H GLU 586 HN GLU 586 -7.857 2.190 -13.324 645 HA GLU 586 HA GLU 586 -5.285 1.676 -14.650 646 HB2 GLU 586 HB2 GLU 586 -5.950 3.218 -12.134 647 HB3 GLU 586 HB3 GLU 586 -4.317 2.939 -12.723 648 HG2 GLU 586 HG2 GLU 586 -6.417 4.330 -14.356 649 HG3 GLU 586 HG3 GLU 586 -5.339 5.181 -13.252 650 H LYS 587 HN LYS 587 -4.342 -0.210 -14.214 651 HA LYS 587 HA LYS 587 -5.094 -1.816 -11.981 652 HB2 LYS 587 HB2 LYS 587 -2.863 -2.081 -13.992 653 HB3 LYS 587 HB3 LYS 587 -3.210 -3.284 -12.760 654 HG2 LYS 587 HG2 LYS 587 -5.421 -3.639 -13.690 655 HG3 LYS 587 HG3 LYS 587 -5.131 -2.386 -14.897 656 HD2 LYS 587 HD2 LYS 587 -3.321 -3.697 -15.849 657 HD3 LYS 587 HD3 LYS 587 -3.545 -4.935 -14.610 658 HE2 LYS 587 HE2 LYS 587 -5.789 -5.380 -15.437 659 HE3 LYS 587 HE3 LYS 587 -5.611 -4.111 -16.647 660 HZ1 LYS 587 HZ1 LYS 587 -5.223 -6.286 -17.600 661 HZ2 LYS 587 HZ2 LYS 587 -3.994 -6.593 -16.485 662 HZ3 LYS 587 HZ3 LYS 587 -3.800 -5.374 -17.640 663 H LEU 588 HN LEU 588 -4.347 -1.779 -9.998 664 HA LEU 588 HA LEU 588 -2.298 0.093 -9.256 665 HB2 LEU 588 HB2 LEU 588 -3.759 -1.896 -7.526 666 HB3 LEU 588 HB1 LEU 588 -2.921 -0.451 -6.996 667 HG LEU 588 HG LEU 588 -5.481 -0.566 -8.587 668 HD11 LEU 588 HD11 LEU 588 -5.833 -1.070 -6.273 669 HD12 LEU 588 HD12 LEU 588 -6.402 0.568 -6.591 670 HD13 LEU 588 HD13 LEU 588 -4.859 0.313 -5.777 671 HD21 LEU 588 HD21 LEU 588 -3.865 1.815 -7.699 672 HD22 LEU 588 HD22 LEU 588 -5.496 1.882 -8.368 673 HD23 LEU 588 HD23 LEU 588 -4.160 1.297 -9.359 674 H LEU 589 HN LEU 589 -0.300 -0.355 -8.497 675 HA LEU 589 HA LEU 589 0.582 -3.156 -8.780 676 HB2 LEU 589 HB2 LEU 589 1.471 -1.520 -10.458 677 HB3 LEU 589 HB1 LEU 589 2.261 -0.674 -9.142 678 HG LEU 589 HG LEU 589 3.564 -2.741 -8.662 679 HD11 LEU 589 HD11 LEU 589 2.092 -4.408 -9.568 680 HD12 LEU 589 HD12 LEU 589 3.618 -4.464 -10.449 681 HD13 LEU 589 HD13 LEU 589 2.207 -3.694 -11.175 682 HD21 LEU 589 HD21 LEU 589 5.052 -2.529 -10.593 683 HD22 LEU 589 HD22 LEU 589 4.515 -0.951 -10.015 684 HD23 LEU 589 HD23 LEU 589 3.794 -1.652 -11.465 685 H ILE 590 HN ILE 590 0.821 -4.027 -6.804 686 HA ILE 590 HA ILE 590 1.966 -2.378 -4.661 687 HB ILE 590 HB ILE 590 0.660 -5.102 -4.465 688 HG12 ILE 590 HG12 ILE 590 -0.385 -2.327 -3.898 689 HG13 ILE 590 HG13 ILE 590 -1.020 -3.495 -5.045 690 HG21 ILE 590 HG21 ILE 590 0.674 -4.687 -2.039 691 HG22 ILE 590 HG22 ILE 590 1.583 -3.200 -2.311 692 HG23 ILE 590 HG23 ILE 590 2.302 -4.759 -2.713 693 HD11 ILE 590 HD11 ILE 590 -1.662 -4.943 -3.151 694 HD12 ILE 590 HD12 ILE 590 -2.463 -3.372 -3.134 695 HD13 ILE 590 HD13 ILE 590 -1.112 -3.683 -2.037 696 H ARG 591 HN ARG 591 4.077 -2.555 -4.287 697 HA ARG 591 HA ARG 591 5.398 -5.145 -4.493 698 HB2 ARG 591 HB2 ARG 591 6.281 -2.704 -6.051 699 HB3 ARG 591 HB3 ARG 591 7.309 -4.101 -5.764 700 HG2 ARG 591 HG2 ARG 591 5.638 -5.510 -6.933 701 HG3 ARG 591 HG3 ARG 591 4.727 -4.047 -7.311 702 HD2 ARG 591 HD2 ARG 591 6.702 -3.164 -8.500 703 HD3 ARG 591 HD3 ARG 591 7.550 -4.676 -8.172 704 HE ARG 591 HE ARG 591 5.023 -4.980 -9.534 705 HH11 ARG 591 HH11 ARG 591 8.484 -4.607 -9.889 706 HH12 ARG 591 HH12 ARG 591 8.507 -5.209 -11.519 707 HH21 ARG 591 HH21 ARG 591 5.054 -5.765 -11.687 708 HH22 ARG 591 HH22 ARG 591 6.564 -5.844 -12.542 709 H MET 592 HN MET 592 7.708 -4.937 -3.637 710 HA MET 592 HA MET 592 7.523 -3.480 -1.131 711 HB2 MET 592 HB2 MET 592 9.609 -5.374 -2.217 712 HB3 MET 592 HB3 MET 592 9.754 -4.565 -0.666 713 HG2 MET 592 HG2 MET 592 7.586 -5.646 -0.014 714 HG3 MET 592 HG3 MET 592 7.706 -6.598 -1.494 715 HE1 MET 592 HE1 MET 592 7.462 -7.896 1.405 716 HE2 MET 592 HE2 MET 592 8.663 -9.183 1.309 717 HE3 MET 592 HE3 MET 592 7.605 -8.860 -0.065 718 H SER 593 HN SER 593 8.669 -1.672 -0.590 719 HA SER 593 HA SER 593 9.797 -0.163 -2.729 720 HB2 SER 593 HB2 SER 593 8.585 0.947 -0.927 721 HB3 SER 593 HB3 SER 593 9.779 0.388 0.243 722 HG SER 593 HG SER 593 9.892 2.479 -1.543 723 H THR 594 HN THR 594 11.788 0.210 -3.251 724 HA THR 594 HA THR 594 13.915 -1.374 -2.050 725 HB THR 594 HB THR 594 15.240 -0.447 -4.022 726 HG1 THR 594 HG1 THR 594 13.499 0.194 -5.716 727 HG21 THR 594 HG21 THR 594 14.257 -2.697 -4.014 728 HG22 THR 594 HG22 THR 594 14.191 -1.971 -5.619 729 HG23 THR 594 HG23 THR 594 12.739 -2.034 -4.619 730 H ARG 595 HN ARG 595 12.662 1.733 -1.715 731 HA ARG 595 HA ARG 595 15.300 2.992 -1.437 732 HB2 ARG 595 HB2 ARG 595 12.551 4.190 -1.774 733 HB3 ARG 595 HB3 ARG 595 14.014 5.131 -1.530 734 HG2 ARG 595 HG2 ARG 595 14.942 4.287 -3.599 735 HG3 ARG 595 HG3 ARG 595 13.527 3.263 -3.837 736 HD2 ARG 595 HD2 ARG 595 13.452 5.339 -5.174 737 HD3 ARG 595 HD3 ARG 595 12.106 5.198 -4.046 738 HE ARG 595 HE ARG 595 13.998 6.637 -2.694 739 HH11 ARG 595 HH11 ARG 595 12.378 7.019 -5.772 740 HH12 ARG 595 HH12 ARG 595 12.383 8.751 -5.700 741 HH21 ARG 595 HH21 ARG 595 14.015 8.905 -2.599 742 HH22 ARG 595 HH22 ARG 595 13.318 9.826 -3.898 743 H TYR 596 HN TYR 596 12.404 2.241 0.377 744 HA TYR 596 HA TYR 596 13.703 3.417 2.745 745 HB2 TYR 596 HB2 TYR 596 10.782 3.536 1.991 746 HB3 TYR 596 HB3 TYR 596 11.392 3.952 3.590 747 HD1 TYR 596 HD1 TYR 596 10.937 5.073 0.182 748 HD2 TYR 596 HD2 TYR 596 12.948 5.895 3.837 749 HE1 TYR 596 HE1 TYR 596 11.395 7.362 -0.588 750 HE2 TYR 596 HE2 TYR 596 13.407 8.184 3.078 751 HH TYR 596 HH TYR 596 13.610 9.410 0.942 752 H LYS 597 HN LYS 597 13.442 2.395 4.712 753 HA LYS 597 HA LYS 597 12.473 -0.368 4.507 754 HB2 LYS 597 HB2 LYS 597 14.656 0.806 6.209 755 HB3 LYS 597 HB3 LYS 597 13.958 -0.777 6.533 756 HG2 LYS 597 HG2 LYS 597 15.910 -1.182 5.287 757 HG3 LYS 597 HG3 LYS 597 14.579 -1.385 4.151 758 HD2 LYS 597 HD2 LYS 597 14.981 0.978 3.406 759 HD3 LYS 597 HD3 LYS 597 16.436 0.976 4.403 760 HE2 LYS 597 HE2 LYS 597 17.169 -1.067 3.116 761 HE3 LYS 597 HE3 LYS 597 15.824 -0.756 2.018 762 HZ1 LYS 597 HZ1 LYS 597 18.115 1.052 2.568 763 HZ2 LYS 597 HZ2 LYS 597 16.788 1.463 1.611 764 HZ3 LYS 597 HZ3 LYS 597 17.815 0.211 1.132 765 H GLU 598 HN GLU 598 11.673 2.596 5.960 766 HA GLU 598 HA GLU 598 9.788 1.149 7.654 767 HB2 GLU 598 HB2 GLU 598 11.679 1.668 9.133 768 HB3 GLU 598 HB3 GLU 598 11.558 3.367 8.701 769 HG2 GLU 598 HG2 GLU 598 9.333 3.473 9.712 770 HG3 GLU 598 HG3 GLU 598 9.450 1.763 10.136 771 H LEU 599 HN LEU 599 7.917 2.228 8.087 772 HA LEU 599 HA LEU 599 7.475 4.718 6.585 773 HB2 LEU 599 HB2 LEU 599 5.503 2.596 7.428 774 HB3 LEU 599 HB1 LEU 599 5.060 4.106 6.656 775 HG LEU 599 HG LEU 599 6.701 1.883 5.451 776 HD11 LEU 599 HD11 LEU 599 4.345 1.390 5.482 777 HD12 LEU 599 HD12 LEU 599 4.850 1.785 3.839 778 HD13 LEU 599 HD13 LEU 599 3.975 2.975 4.803 779 HD21 LEU 599 HD21 LEU 599 5.969 4.577 4.325 780 HD22 LEU 599 HD22 LEU 599 6.671 3.249 3.405 781 HD23 LEU 599 HD23 LEU 599 7.592 3.999 4.707 782 H GLN 600 HN GLN 600 7.089 6.506 7.637 783 HA GLN 600 HA GLN 600 6.221 6.343 10.442 784 HB2 GLN 600 HB2 GLN 600 8.424 7.346 10.247 785 HB3 GLN 600 HB3 GLN 600 7.841 8.469 9.027 786 HG2 GLN 600 HG2 GLN 600 6.335 9.458 10.725 787 HG3 GLN 600 HG3 GLN 600 7.059 8.398 11.932 788 HE21 GLN 600 HE21 GLN 600 6.997 11.325 11.724 789 HE22 GLN 600 HE22 GLN 600 8.651 11.832 11.754 790 H LEU 601 HN LEU 601 4.378 7.424 11.043 791 HA LEU 601 HA LEU 601 2.833 8.648 8.908 792 HB2 LEU 601 HB2 LEU 601 2.119 7.949 11.750 793 HB3 LEU 601 HB1 LEU 601 1.020 8.745 10.641 794 HG LEU 601 HG LEU 601 2.173 5.975 10.331 795 HD11 LEU 601 HD11 LEU 601 -0.632 6.934 10.877 796 HD12 LEU 601 HD12 LEU 601 0.432 6.116 12.020 797 HD13 LEU 601 HD13 LEU 601 -0.154 5.260 10.594 798 HD21 LEU 601 HD21 LEU 601 1.954 6.995 8.154 799 HD22 LEU 601 HD22 LEU 601 0.322 7.537 8.539 800 HD23 LEU 601 HD23 LEU 601 0.664 5.814 8.383 801 H LYS 602 HN LYS 602 3.694 10.614 8.518 802 HA LYS 602 HA LYS 602 4.079 12.564 10.612 803 HB2 LYS 602 HB2 LYS 602 3.958 12.930 7.608 804 HB3 LYS 602 HB3 LYS 602 4.542 14.115 8.768 805 HG2 LYS 602 HG2 LYS 602 6.408 12.696 9.340 806 HG3 LYS 602 HG3 LYS 602 5.793 11.416 8.292 807 HD2 LYS 602 HD2 LYS 602 6.008 12.981 6.366 808 HD3 LYS 602 HD3 LYS 602 6.776 14.140 7.453 809 HE2 LYS 602 HE2 LYS 602 8.565 12.564 7.907 810 HE3 LYS 602 HE3 LYS 602 7.780 11.350 6.899 811 HZ1 LYS 602 HZ1 LYS 602 8.071 12.808 4.990 812 HZ2 LYS 602 HZ2 LYS 602 9.559 12.453 5.710 813 HZ3 LYS 602 HZ3 LYS 602 8.839 13.961 5.962 814 H LYS 603 HN LYS 603 1.534 11.331 8.798 815 HA LYS 603 HA LYS 603 -0.209 13.593 9.501 816 HB2 LYS 603 HB2 LYS 603 -0.397 11.733 7.119 817 HB3 LYS 603 HB3 LYS 603 -1.606 12.932 7.548 818 HG2 LYS 603 HG2 LYS 603 1.252 13.563 6.851 819 HG3 LYS 603 HG3 LYS 603 -0.105 13.649 5.726 820 HD2 LYS 603 HD2 LYS 603 -1.168 15.343 7.108 821 HD3 LYS 603 HD3 LYS 603 0.139 15.225 8.286 822 HE2 LYS 603 HE2 LYS 603 1.731 15.979 6.593 823 HE3 LYS 603 HE3 LYS 603 0.425 16.096 5.416 824 HZ1 LYS 603 HZ1 LYS 603 0.903 18.250 6.339 825 HZ2 LYS 603 HZ2 LYS 603 0.681 17.678 7.914 826 HZ3 LYS 603 HZ3 LYS 603 -0.631 17.756 6.851 827 HA PRO 604 HA PRO 604 -2.299 10.494 11.951 828 HB2 PRO 604 HB2 PRO 604 -4.581 11.915 12.404 829 HB3 PRO 604 HB1 PRO 604 -3.077 12.179 13.294 830 HG2 PRO 604 HG2 PRO 604 -4.191 13.702 10.970 831 HG3 PRO 604 HG3 PRO 604 -3.417 14.316 12.443 832 HD2 PRO 604 HD2 PRO 604 -2.092 14.138 10.103 833 HD3 PRO 604 HD3 PRO 604 -1.286 13.864 11.662 834 H GLY 605 HN GLY 605 -4.054 9.053 11.709 835 HA2 GLY 605 HA2 GLY 605 -5.479 9.253 9.144 836 HA3 GLY 605 HA3 GLY 605 -4.626 7.783 9.590 837 H LYS 606 HN LYS 606 -6.971 7.213 9.092 838 HA LYS 606 HA LYS 606 -8.725 7.458 11.418 839 HB2 LYS 606 HB2 LYS 606 -9.147 6.030 8.784 840 HB3 LYS 606 HB3 LYS 606 -10.371 6.293 10.015 841 HG2 LYS 606 HG2 LYS 606 -10.253 8.690 9.658 842 HG3 LYS 606 HG3 LYS 606 -8.967 8.465 8.473 843 HD2 LYS 606 HD2 LYS 606 -11.766 7.357 8.232 844 HD3 LYS 606 HD3 LYS 606 -11.177 8.813 7.426 845 HE2 LYS 606 HE2 LYS 606 -9.509 7.485 6.234 846 HE3 LYS 606 HE3 LYS 606 -10.071 6.029 7.055 847 HZ1 LYS 606 HZ1 LYS 606 -12.214 6.292 6.000 848 HZ2 LYS 606 HZ2 LYS 606 -10.998 6.222 4.830 849 HZ3 LYS 606 HZ3 LYS 606 -11.702 7.706 5.231 850 H ASN 607 HN ASN 607 -9.571 5.504 12.483 851 HA ASN 607 HA ASN 607 -7.693 3.501 12.980 852 HB2 ASN 607 HB2 ASN 607 -10.609 3.798 13.514 853 HB3 ASN 607 HB3 ASN 607 -9.905 2.193 13.668 854 HD21 ASN 607 HD21 ASN 607 -10.156 2.058 15.847 855 HD22 ASN 607 HD22 ASN 607 -9.257 3.021 16.968 856 H VAL 608 HN VAL 608 -7.027 1.886 11.826 857 HA VAL 608 HA VAL 608 -8.163 1.328 9.270 858 HB VAL 608 HB VAL 608 -5.875 0.075 10.796 859 HG11 VAL 608 HG11 VAL 608 -5.207 -0.871 8.585 860 HG12 VAL 608 HG12 VAL 608 -6.810 -0.442 7.986 861 HG13 VAL 608 HG13 VAL 608 -6.642 -1.607 9.296 862 HG21 VAL 608 HG21 VAL 608 -5.956 2.034 8.492 863 HG22 VAL 608 HG22 VAL 608 -4.494 1.313 9.167 864 HG23 VAL 608 HG23 VAL 608 -5.487 2.381 10.157 865 H ALA 609 HN ALA 609 -8.532 0.001 12.437 866 HA ALA 609 HA ALA 609 -9.470 -2.572 11.841 867 HB1 ALA 609 HB1 ALA 609 -8.966 -1.851 14.111 868 HB2 ALA 609 HB2 ALA 609 -10.615 -2.466 14.007 869 HB3 ALA 609 HB3 ALA 609 -10.324 -0.728 14.071 870 H ALA 610 HN ALA 610 -11.123 0.542 11.866 871 HA ALA 610 HA ALA 610 -13.736 -0.386 11.404 872 HB1 ALA 610 HB1 ALA 610 -14.212 1.887 10.630 873 HB2 ALA 610 HB2 ALA 610 -12.483 2.229 10.569 874 HB3 ALA 610 HB3 ALA 610 -13.263 1.902 12.116 875 H ILE 611 HN ILE 611 -10.991 0.058 9.333 876 HA ILE 611 HA ILE 611 -12.413 0.007 6.861 877 HB ILE 611 HB ILE 611 -9.490 -0.577 7.423 878 HG12 ILE 611 HG12 ILE 611 -10.862 1.935 6.433 879 HG13 ILE 611 HG13 ILE 611 -10.258 1.694 8.068 880 HG21 ILE 611 HG21 ILE 611 -9.131 -0.183 5.050 881 HG22 ILE 611 HG22 ILE 611 -10.860 0.068 4.808 882 HG23 ILE 611 HG23 ILE 611 -10.257 -1.521 5.280 883 HD11 ILE 611 HD11 ILE 611 -7.979 1.426 7.127 884 HD12 ILE 611 HD12 ILE 611 -8.693 3.013 6.836 885 HD13 ILE 611 HD13 ILE 611 -8.639 1.821 5.540 886 H ILE 612 HN ILE 612 -10.986 -2.423 8.985 887 HA ILE 612 HA ILE 612 -11.315 -4.679 7.364 888 HB ILE 612 HB ILE 612 -11.772 -4.571 10.355 889 HG12 ILE 612 HG12 ILE 612 -9.205 -5.142 8.861 890 HG13 ILE 612 HG13 ILE 612 -9.570 -3.619 9.668 891 HG21 ILE 612 HG21 ILE 612 -11.099 -6.940 10.280 892 HG22 ILE 612 HG22 ILE 612 -11.020 -6.844 8.520 893 HG23 ILE 612 HG23 ILE 612 -12.562 -6.628 9.346 894 HD11 ILE 612 HD11 ILE 612 -9.693 -4.799 11.807 895 HD12 ILE 612 HD12 ILE 612 -8.122 -4.997 11.029 896 HD13 ILE 612 HD13 ILE 612 -9.299 -6.311 10.988 897 H GLN 613 HN GLN 613 -13.576 -3.042 9.547 898 HA GLN 613 HA GLN 613 -15.781 -4.773 9.151 899 HB2 GLN 613 HB2 GLN 613 -15.868 -1.799 9.693 900 HB3 GLN 613 HB3 GLN 613 -17.157 -2.954 9.995 901 HG2 GLN 613 HG2 GLN 613 -15.764 -4.054 11.678 902 HG3 GLN 613 HG3 GLN 613 -14.493 -2.868 11.388 903 HE21 GLN 613 HE21 GLN 613 -16.552 -0.746 10.995 904 HE22 GLN 613 HE22 GLN 613 -17.075 -0.336 12.581 905 H ASP 614 HN ASP 614 -14.485 -2.105 7.402 906 HA ASP 614 HA ASP 614 -16.670 -1.561 5.683 907 HB2 ASP 614 HB2 ASP 614 -14.906 0.075 5.981 908 HB3 ASP 614 HB3 ASP 614 -13.712 -1.039 5.326 909 H ILE 615 HN ILE 615 -13.757 -3.557 5.259 910 HA ILE 615 HA ILE 615 -14.218 -4.387 2.634 911 HB ILE 615 HB ILE 615 -12.885 -5.908 4.878 912 HG12 ILE 615 HG12 ILE 615 -11.648 -4.218 2.699 913 HG13 ILE 615 HG13 ILE 615 -11.984 -3.622 4.323 914 HG21 ILE 615 HG21 ILE 615 -13.509 -7.357 2.995 915 HG22 ILE 615 HG22 ILE 615 -11.761 -7.168 3.121 916 HG23 ILE 615 HG23 ILE 615 -12.657 -6.278 1.891 917 HD11 ILE 615 HD11 ILE 615 -10.490 -5.322 5.237 918 HD12 ILE 615 HD12 ILE 615 -9.676 -4.251 4.098 919 HD13 ILE 615 HD13 ILE 615 -10.142 -5.875 3.601 920 H HIS 616 HN HIS 616 -15.157 -5.885 5.699 921 HA HIS 616 HA HIS 616 -16.500 -8.090 4.557 922 HB2 HIS 616 HB2 HIS 616 -16.661 -6.796 7.271 923 HB3 HIS 616 HB3 HIS 616 -17.655 -8.184 6.843 924 HD1 HIS 616 HD1 HIS 616 -16.561 -10.459 6.890 925 HD2 HIS 616 HD2 HIS 616 -13.848 -7.345 7.352 926 HE1 HIS 616 HE1 HIS 616 -14.390 -11.545 7.543 927 HE2 HIS 616 HE2 HIS 616 -12.732 -9.655 7.668 928 H SER 617 HN SER 617 -17.546 -4.824 5.306 929 HA SER 617 HA SER 617 -20.312 -5.322 4.929 930 HB2 SER 617 HB2 SER 617 -18.772 -2.724 4.717 931 HB3 SER 617 HB3 SER 617 -20.528 -2.863 4.794 932 HG SER 617 HG SER 617 -18.717 -3.773 6.795 933 H GLN 618 HN GLN 618 -17.669 -4.334 2.850 934 HA GLN 618 HA GLN 618 -17.348 -4.501 0.613 935 HB2 GLN 618 HB2 GLN 618 -20.081 -5.780 0.572 936 HB3 GLN 618 HB3 GLN 618 -19.007 -5.669 -0.814 937 HG2 GLN 618 HG2 GLN 618 -17.357 -7.034 0.338 938 HG3 GLN 618 HG3 GLN 618 -18.405 -7.122 1.753 939 HE21 GLN 618 HE21 GLN 618 -18.521 -9.358 1.647 940 HE22 GLN 618 HE22 GLN 618 -19.445 -10.177 0.435 941 H ARG 619 HN ARG 619 -20.578 -3.384 1.499 942 HA ARG 619 HA ARG 619 -20.727 -1.609 -0.768 943 HB2 ARG 619 HB2 ARG 619 -22.501 -1.845 1.666 944 HB3 ARG 619 HB3 ARG 619 -22.844 -0.863 0.251 945 HG2 ARG 619 HG2 ARG 619 -22.661 -3.862 0.369 946 HG3 ARG 619 HG3 ARG 619 -24.113 -2.889 0.129 947 HD2 ARG 619 HD2 ARG 619 -21.770 -3.165 -1.746 948 HD3 ARG 619 HD3 ARG 619 -23.408 -3.768 -1.990 949 HE ARG 619 HE ARG 619 -23.628 -1.034 -1.635 950 HH11 ARG 619 HH11 ARG 619 -22.111 -3.229 -3.893 951 HH12 ARG 619 HH12 ARG 619 -22.191 -2.124 -5.227 952 HH21 ARG 619 HH21 ARG 619 -23.733 0.438 -3.385 953 HH22 ARG 619 HH22 ARG 619 -23.125 -0.033 -4.936 954 H GLU 620 HN GLU 620 -19.947 0.395 -0.841 955 HA GLU 620 HA GLU 620 -18.699 1.608 1.409 956 HB2 GLU 620 HB2 GLU 620 -18.563 3.631 -0.115 957 HB3 GLU 620 HB3 GLU 620 -17.790 2.168 -0.708 958 HG2 GLU 620 HG2 GLU 620 -19.548 1.764 -2.249 959 HG3 GLU 620 HG3 GLU 620 -20.560 3.010 -1.520 960 H ARG 621 HN ARG 621 -19.852 2.285 3.080 961 HA ARG 621 HA ARG 621 -22.431 3.598 2.561 962 HB2 ARG 621 HB2 ARG 621 -21.458 2.246 5.084 963 HB3 ARG 621 HB3 ARG 621 -23.039 2.980 4.861 964 HG2 ARG 621 HG2 ARG 621 -21.955 0.574 3.411 965 HG3 ARG 621 HG3 ARG 621 -23.201 0.583 4.660 966 HD2 ARG 621 HD2 ARG 621 -23.394 1.871 1.940 967 HD3 ARG 621 HD3 ARG 621 -24.188 0.382 2.442 968 HE ARG 621 HE ARG 621 -24.874 2.545 4.157 969 HH11 ARG 621 HH11 ARG 621 -25.528 1.200 0.995 970 HH12 ARG 621 HH12 ARG 621 -27.131 1.858 0.907 971 HH21 ARG 621 HH21 ARG 621 -26.974 3.411 4.052 972 HH22 ARG 621 HH22 ARG 621 -27.955 3.122 2.648 Start of MODEL 10 1 HO5' ADN 1 H5T ADE 1 6.406 1.526 -15.134 2 H5'1 ADN 1 H5' ADE 1 8.489 1.391 -15.092 3 H5'2 ADN 1 H5'' ADE 1 8.482 2.011 -13.434 4 H4' ADN 1 H4' ADE 1 9.552 3.338 -15.444 5 H3' ADN 1 H3' ADE 1 9.141 4.078 -12.900 6 H2' ADN 1 H2' ADE 1 6.865 4.840 -13.119 7 HO2' ADN 1 HO2' ADE 1 8.496 7.030 -13.957 8 H1' ADN 1 H1' ADE 1 7.557 6.129 -15.813 9 H8 ADN 1 H8 ADE 1 5.156 3.315 -15.758 10 HN61 ADN 1 H61 ADE 1 0.974 5.794 -15.739 11 HN62 ADN 1 H62 ADE 1 0.586 7.484 -15.508 12 H2 ADN 1 H2 ADE 1 4.463 9.626 -14.833 13 H5' U 2 H5' URI 2 11.238 5.229 -10.096 14 H5'' U 2 H5'' URI 2 10.099 4.264 -11.055 15 H4' U 2 H4' URI 2 9.342 6.916 -9.889 16 H3' U 2 H3' URI 2 10.049 5.002 -8.110 17 H2' U 2 H2' URI 2 8.506 3.304 -8.903 18 HO2' U 2 HO2' URI 2 7.292 4.969 -6.960 19 H1' U 2 H1' URI 2 6.457 5.580 -9.233 20 H3 U 2 H3 URI 2 3.197 3.022 -10.807 21 H5 U 2 H5 URI 2 6.625 1.064 -12.234 22 H6 U 2 H6 URI 2 7.951 2.727 -11.108 23 H5' C 3 H5' CYT 3 7.673 8.123 -5.591 24 H5'' C 3 H5'' CYT 3 8.744 9.163 -4.631 25 H4' C 3 H4' CYT 3 7.508 7.649 -3.220 26 H3' C 3 H3' CYT 3 10.179 8.076 -2.885 27 H2' C 3 H2' CYT 3 10.935 6.042 -3.932 28 HO2' C 3 HO2' CYT 3 10.370 5.654 -1.199 29 H1' C 3 H1' CYT 3 8.503 4.655 -2.655 30 H41 C 3 H41 CYT 3 10.943 0.765 -7.430 31 H42 C 3 H42 CYT 3 10.334 -0.268 -6.155 32 H5 C 3 H5 CYT 3 10.842 3.187 -7.319 33 H6 C 3 H6 CYT 3 10.177 5.094 -5.953 34 H5' U 4 H5' URI 4 7.017 10.900 -1.632 35 H5'' U 4 H5'' URI 4 8.071 11.034 -0.214 36 H4' U 4 H4' URI 4 5.139 10.743 -0.406 37 H3' U 4 H3' URI 4 6.622 12.784 0.545 38 H2' U 4 H2' URI 4 7.643 11.516 2.360 39 HO2' U 4 HO2' URI 4 5.158 12.372 3.480 40 H1' U 4 H1' URI 4 4.834 10.323 2.795 41 H3 U 4 H3 URI 4 6.908 8.980 6.693 42 H5 U 4 H5 URI 4 8.571 6.680 3.601 43 H6 U 4 H6 URI 4 7.440 8.116 2.033 44 H5' U 5 H5' URI 5 3.187 12.472 -0.355 45 H5'' U 5 H5'' URI 5 2.594 13.726 -1.463 46 H4' U 5 H4' URI 5 0.624 12.803 -0.919 47 H3' U 5 H3' URI 5 0.863 15.202 0.357 48 H2' U 5 H2' URI 5 1.379 14.331 2.537 49 HO2' U 5 HO2' URI 5 -1.453 14.000 2.392 50 H1' U 5 H1' URI 5 -0.584 12.034 1.954 51 H3 U 5 H3 URI 5 0.060 10.170 5.940 52 H5 U 5 H5 URI 5 3.921 11.456 4.902 53 H6 U 5 H6 URI 5 2.984 12.407 2.900 54 H5' A 6 H5' ADE 6 -3.070 16.112 -2.721 55 H5'' A 6 H5'' ADE 6 -1.816 15.895 -3.956 56 H4' A 6 H4' ADE 6 -2.389 18.217 -2.193 57 H3' A 6 H3' ADE 6 -2.808 17.977 -4.840 58 HO3' A 6 H3T ADE 6 -2.042 20.410 -4.594 59 H2' A 6 H2' ADE 6 -0.500 17.580 -5.463 60 HO2' A 6 HO2' ADE 6 -0.768 19.322 -6.722 61 H1' A 6 H1' ADE 6 0.278 19.768 -3.445 62 H8 A 6 H8 ADE 6 2.014 18.998 -5.997 63 H61 A 6 H61 ADE 6 6.031 16.688 -4.549 64 H62 A 6 H62 ADE 6 6.465 15.842 -3.082 65 H2 A 6 H2 ADE 6 2.914 16.064 -0.360 66 H1 GLY 510 HT1 GLY 510 24.963 -4.054 3.757 67 H2 GLY 510 HT2 GLY 510 25.467 -5.465 2.976 68 H3 GLY 510 HT3 GLY 510 24.797 -5.550 4.528 69 HA2 GLY 510 HA3 GLY 510 23.203 -6.263 2.867 70 HA3 GLY 510 HA2 GLY 510 22.670 -4.813 3.702 71 H ALA 511 HN ALA 511 21.760 -3.409 2.393 72 HA ALA 511 HA ALA 511 21.492 -1.881 0.744 73 HB1 ALA 511 HB1 ALA 511 23.281 -1.339 -0.793 74 HB2 ALA 511 HB2 ALA 511 24.152 -2.798 -0.325 75 HB3 ALA 511 HB3 ALA 511 23.904 -1.506 0.849 76 H MET 512 HN MET 512 22.771 -4.947 -0.523 77 HA MET 512 HA MET 512 21.572 -4.809 -3.061 78 HB2 MET 512 HB2 MET 512 23.379 -6.395 -2.419 79 HB3 MET 512 HB3 MET 512 22.220 -7.286 -1.446 80 HG2 MET 512 HG2 MET 512 22.530 -8.427 -3.520 81 HG3 MET 512 HG3 MET 512 20.909 -7.737 -3.490 82 HE1 MET 512 HE1 MET 512 22.393 -8.795 -6.142 83 HE2 MET 512 HE2 MET 512 21.919 -7.530 -7.278 84 HE3 MET 512 HE3 MET 512 20.750 -8.154 -6.114 85 H ALA 513 HN ALA 513 20.555 -6.772 -0.276 86 HA ALA 513 HA ALA 513 17.790 -6.636 -1.254 87 HB1 ALA 513 HB1 ALA 513 19.017 -8.495 0.787 88 HB2 ALA 513 HB2 ALA 513 18.667 -8.899 -0.893 89 HB3 ALA 513 HB3 ALA 513 17.348 -8.538 0.220 90 H GLN 514 HN GLN 514 16.615 -5.087 -0.345 91 HA GLN 514 HA GLN 514 17.516 -3.646 1.922 92 HB2 GLN 514 HB2 GLN 514 14.827 -3.604 0.540 93 HB3 GLN 514 HB3 GLN 514 15.372 -2.430 1.732 94 HG2 GLN 514 HG2 GLN 514 16.691 -2.939 -0.926 95 HG3 GLN 514 HG3 GLN 514 15.577 -1.620 -0.580 96 HE21 GLN 514 HE21 GLN 514 17.085 -0.050 -1.057 97 HE22 GLN 514 HE22 GLN 514 18.441 0.283 -0.040 98 H ARG 515 HN ARG 515 17.037 -3.810 3.999 99 HA ARG 515 HA ARG 515 16.098 -6.223 5.048 100 HB2 ARG 515 HB2 ARG 515 16.472 -3.519 6.333 101 HB3 ARG 515 HB3 ARG 515 16.057 -4.969 7.236 102 HG2 ARG 515 HG2 ARG 515 18.123 -6.022 6.568 103 HG3 ARG 515 HG3 ARG 515 18.532 -4.637 5.558 104 HD2 ARG 515 HD2 ARG 515 19.704 -4.623 7.732 105 HD3 ARG 515 HD3 ARG 515 18.680 -3.209 7.494 106 HE ARG 515 HE ARG 515 17.228 -5.202 8.857 107 HH11 ARG 515 HH11 ARG 515 19.877 -2.980 9.379 108 HH12 ARG 515 HH12 ARG 515 19.563 -2.808 11.076 109 HH21 ARG 515 HH21 ARG 515 16.806 -4.973 11.080 110 HH22 ARG 515 HH22 ARG 515 17.813 -3.943 12.047 111 H LYS 516 HN LYS 516 14.168 -6.969 5.555 112 HA LYS 516 HA LYS 516 11.909 -5.096 5.761 113 HB2 LYS 516 HB2 LYS 516 11.829 -7.833 4.466 114 HB3 LYS 516 HB3 LYS 516 10.466 -6.742 4.656 115 HG2 LYS 516 HG2 LYS 516 12.905 -6.252 2.961 116 HG3 LYS 516 HG3 LYS 516 11.306 -6.717 2.379 117 HD2 LYS 516 HD2 LYS 516 10.385 -4.621 3.268 118 HD3 LYS 516 HD3 LYS 516 11.993 -4.161 3.835 119 HE2 LYS 516 HE2 LYS 516 12.796 -4.295 1.490 120 HE3 LYS 516 HE3 LYS 516 11.137 -4.603 0.983 121 HZ1 LYS 516 HZ1 LYS 516 12.031 -2.168 2.421 122 HZ2 LYS 516 HZ2 LYS 516 10.486 -2.456 1.794 123 HZ3 LYS 516 HZ3 LYS 516 11.803 -2.263 0.746 124 H GLY 517 HN GLY 517 13.391 -5.950 7.930 125 HA2 GLY 517 HA2 GLY 517 11.646 -7.993 9.166 126 HA3 GLY 517 HA3 GLY 517 13.333 -7.748 9.603 127 H ALA 518 HN ALA 518 13.887 -5.631 10.536 128 HA ALA 518 HA ALA 518 11.819 -4.783 12.413 129 HB1 ALA 518 HB1 ALA 518 13.643 -3.653 13.588 130 HB2 ALA 518 HB2 ALA 518 14.758 -4.101 12.298 131 HB3 ALA 518 HB3 ALA 518 14.026 -5.350 13.306 132 H GLY 519 HN GLY 519 10.844 -3.925 10.281 133 HA2 GLY 519 HA2 GLY 519 10.286 -1.449 9.930 134 HA3 GLY 519 HA3 GLY 519 11.997 -1.317 9.531 135 H ARG 520 HN ARG 520 8.958 -1.724 8.229 136 HA ARG 520 HA ARG 520 10.195 -2.682 5.747 137 HB2 ARG 520 HB2 ARG 520 7.439 -3.532 6.616 138 HB3 ARG 520 HB3 ARG 520 8.338 -4.089 5.215 139 HG2 ARG 520 HG2 ARG 520 10.010 -5.070 6.822 140 HG3 ARG 520 HG3 ARG 520 8.851 -4.713 8.106 141 HD2 ARG 520 HD2 ARG 520 8.557 -6.579 5.777 142 HD3 ARG 520 HD3 ARG 520 8.411 -6.937 7.497 143 HE ARG 520 HE ARG 520 6.335 -5.616 7.462 144 HH11 ARG 520 HH11 ARG 520 7.571 -6.925 4.465 145 HH12 ARG 520 HH12 ARG 520 6.043 -6.850 3.657 146 HH21 ARG 520 HH21 ARG 520 4.323 -5.531 6.418 147 HH22 ARG 520 HH22 ARG 520 4.179 -6.062 4.772 148 H VAL 521 HN VAL 521 9.673 -1.588 4.028 149 HA VAL 521 HA VAL 521 7.268 0.100 4.085 150 HB VAL 521 HB VAL 521 9.734 0.593 2.425 151 HG11 VAL 521 HG11 VAL 521 7.090 1.990 2.568 152 HG12 VAL 521 HG12 VAL 521 7.870 1.288 1.159 153 HG13 VAL 521 HG13 VAL 521 8.535 2.744 1.898 154 HG21 VAL 521 HG21 VAL 521 10.003 2.592 3.777 155 HG22 VAL 521 HG22 VAL 521 10.058 1.140 4.775 156 HG23 VAL 521 HG23 VAL 521 8.603 2.134 4.742 157 H VAL 522 HN VAL 522 5.695 -0.514 2.802 158 HA VAL 522 HA VAL 522 6.362 -2.027 0.362 159 HB VAL 522 HB VAL 522 3.802 -2.280 1.956 160 HG11 VAL 522 HG11 VAL 522 3.392 -4.236 0.530 161 HG12 VAL 522 HG12 VAL 522 4.872 -3.881 -0.366 162 HG13 VAL 522 HG13 VAL 522 3.520 -2.747 -0.411 163 HG21 VAL 522 HG21 VAL 522 4.617 -4.509 2.610 164 HG22 VAL 522 HG22 VAL 522 5.626 -3.211 3.249 165 HG23 VAL 522 HG23 VAL 522 6.172 -4.147 1.857 166 H HIS 523 HN HIS 523 5.806 -0.915 -1.467 167 HA HIS 523 HA HIS 523 4.209 1.506 -1.057 168 HB2 HIS 523 HB2 HIS 523 6.529 1.905 -1.671 169 HB3 HIS 523 HB3 HIS 523 6.386 0.818 -3.043 170 HD1 HIS 523 HD1 HIS 523 5.561 1.793 -5.206 171 HD2 HIS 523 HD2 HIS 523 5.178 4.421 -2.013 172 HE1 HIS 523 HE1 HIS 523 5.040 4.023 -6.230 173 HE2 HIS 523 HE2 HIS 523 5.048 5.631 -4.297 174 H ILE 524 HN ILE 524 2.433 1.824 -2.210 175 HA ILE 524 HA ILE 524 1.783 -0.107 -4.333 176 HB ILE 524 HB ILE 524 -0.128 1.528 -2.646 177 HG12 ILE 524 HG12 ILE 524 0.669 -1.385 -2.503 178 HG13 ILE 524 HG13 ILE 524 0.949 -0.155 -1.280 179 HG21 ILE 524 HG21 ILE 524 -1.062 1.076 -4.820 180 HG22 ILE 524 HG22 ILE 524 -1.850 0.034 -3.634 181 HG23 ILE 524 HG23 ILE 524 -0.612 -0.624 -4.702 182 HD11 ILE 524 HD11 ILE 524 -0.865 -1.648 -0.667 183 HD12 ILE 524 HD12 ILE 524 -1.739 -1.193 -2.133 184 HD13 ILE 524 HD13 ILE 524 -1.437 0.009 -0.878 185 H CYS 525 HN CYS 525 1.095 0.728 -6.308 186 HA CYS 525 HA CYS 525 1.086 3.632 -6.561 187 HB2 CYS 525 HB2 CYS 525 2.615 3.333 -8.616 188 HB3 CYS 525 HB3 CYS 525 3.347 3.304 -7.017 189 HG CYS 525 HG CYS 525 2.681 0.237 -7.498 190 H ASN 526 HN ASN 526 0.500 4.335 -8.724 191 HA ASN 526 HA ASN 526 -0.626 4.273 -10.709 192 HB2 ASN 526 HB2 ASN 526 -1.146 1.362 -10.088 193 HB3 ASN 526 HB3 ASN 526 -1.759 2.182 -11.519 194 HD21 ASN 526 HD21 ASN 526 0.012 -0.082 -11.346 195 HD22 ASN 526 HD22 ASN 526 1.476 0.365 -12.149 196 H LEU 527 HN LEU 527 -1.519 4.980 -8.094 197 HA LEU 527 HA LEU 527 -4.383 4.407 -8.135 198 HB2 LEU 527 HB2 LEU 527 -2.612 5.913 -6.210 199 HB3 LEU 527 HB1 LEU 527 -4.356 5.883 -6.066 200 HG LEU 527 HG LEU 527 -2.648 3.396 -5.992 201 HD11 LEU 527 HD11 LEU 527 -2.053 4.846 -4.122 202 HD12 LEU 527 HD12 LEU 527 -2.978 3.450 -3.562 203 HD13 LEU 527 HD13 LEU 527 -3.757 5.026 -3.708 204 HD21 LEU 527 HD21 LEU 527 -5.501 3.953 -5.196 205 HD22 LEU 527 HD22 LEU 527 -4.659 2.415 -5.001 206 HD23 LEU 527 HD23 LEU 527 -4.978 3.049 -6.615 207 HA PRO 528 HA PRO 528 -4.789 8.111 -10.599 208 HB2 PRO 528 HB2 PRO 528 -7.672 7.871 -10.150 209 HB3 PRO 528 HB1 PRO 528 -6.764 7.740 -11.656 210 HG2 PRO 528 HG2 PRO 528 -7.948 5.615 -10.456 211 HG3 PRO 528 HG3 PRO 528 -6.485 5.476 -11.445 212 HD2 PRO 528 HD2 PRO 528 -6.784 5.466 -8.475 213 HD3 PRO 528 HD3 PRO 528 -5.674 4.539 -9.506 214 H GLU 529 HN GLU 529 -4.729 10.181 -9.988 215 HA GLU 529 HA GLU 529 -5.267 11.038 -7.357 216 HB2 GLU 529 HB2 GLU 529 -3.685 12.178 -8.845 217 HB3 GLU 529 HB3 GLU 529 -5.013 12.643 -9.899 218 HG2 GLU 529 HG2 GLU 529 -5.975 13.947 -8.023 219 HG3 GLU 529 HG3 GLU 529 -4.534 13.567 -7.079 220 H GLY 530 HN GLY 530 -7.090 11.877 -6.426 221 HA2 GLY 530 HA2 GLY 530 -9.283 12.698 -6.354 222 HA3 GLY 530 HA3 GLY 530 -9.395 12.491 -8.101 223 H SER 531 HN SER 531 -7.998 9.806 -6.857 224 HA SER 531 HA SER 531 -10.489 8.378 -6.327 225 HB2 SER 531 HB2 SER 531 -8.434 7.499 -8.367 226 HB3 SER 531 HB3 SER 531 -9.918 6.639 -7.947 227 HG SER 531 HG SER 531 -10.799 7.782 -9.472 228 H CYS 532 HN CYS 532 -7.655 9.248 -5.221 229 HA CYS 532 HA CYS 532 -6.612 6.660 -4.369 230 HB2 CYS 532 HB2 CYS 532 -5.624 9.460 -3.765 231 HB3 CYS 532 HB3 CYS 532 -4.793 7.968 -3.344 232 HG CYS 532 HG CYS 532 -5.463 8.330 -6.615 233 H THR 533 HN THR 533 -8.255 5.959 -2.973 234 HA THR 533 HA THR 533 -8.858 7.717 -0.697 235 HB THR 533 HB THR 533 -10.752 6.192 -0.281 236 HG1 THR 533 HG1 THR 533 -11.144 4.510 -1.827 237 HG21 THR 533 HG21 THR 533 -10.599 7.119 -3.158 238 HG22 THR 533 HG22 THR 533 -11.119 8.095 -1.782 239 HG23 THR 533 HG23 THR 533 -12.080 6.706 -2.290 240 H GLU 534 HN GLU 534 -8.652 6.895 1.418 241 HA GLU 534 HA GLU 534 -6.413 5.191 1.788 242 HB2 GLU 534 HB2 GLU 534 -8.386 6.141 3.867 243 HB3 GLU 534 HB3 GLU 534 -6.768 5.520 4.155 244 HG2 GLU 534 HG2 GLU 534 -5.814 7.437 2.920 245 HG3 GLU 534 HG3 GLU 534 -7.452 8.058 2.682 246 H ASN 535 HN ASN 535 -9.843 4.790 1.831 247 HA ASN 535 HA ASN 535 -9.946 2.403 3.328 248 HB2 ASN 535 HB2 ASN 535 -11.901 3.913 2.842 249 HB3 ASN 535 HB3 ASN 535 -11.917 3.258 1.207 250 HD21 ASN 535 HD21 ASN 535 -13.885 2.272 1.331 251 HD22 ASN 535 HD22 ASN 535 -14.218 0.920 2.367 252 H ASP 536 HN ASP 536 -9.780 2.965 -0.212 253 HA ASP 536 HA ASP 536 -10.251 0.211 -0.823 254 HB2 ASP 536 HB2 ASP 536 -9.333 2.563 -2.464 255 HB3 ASP 536 HB3 ASP 536 -9.393 0.940 -3.142 256 H VAL 537 HN VAL 537 -7.440 2.235 -0.596 257 HA VAL 537 HA VAL 537 -5.497 0.423 -1.556 258 HB VAL 537 HB VAL 537 -5.072 2.588 0.530 259 HG11 VAL 537 HG11 VAL 537 -3.178 1.014 0.245 260 HG12 VAL 537 HG12 VAL 537 -2.793 2.660 -0.267 261 HG13 VAL 537 HG13 VAL 537 -3.141 1.423 -1.473 262 HG21 VAL 537 HG21 VAL 537 -5.053 2.728 -2.479 263 HG22 VAL 537 HG22 VAL 537 -4.479 4.006 -1.411 264 HG23 VAL 537 HG23 VAL 537 -6.179 3.533 -1.385 265 H ILE 538 HN ILE 538 -6.567 1.140 1.740 266 HA ILE 538 HA ILE 538 -5.070 -0.923 2.962 267 HB ILE 538 HB ILE 538 -7.498 0.575 3.930 268 HG12 ILE 538 HG12 ILE 538 -4.560 0.796 4.598 269 HG13 ILE 538 HG13 ILE 538 -5.484 1.933 3.621 270 HG21 ILE 538 HG21 ILE 538 -5.722 -1.403 5.340 271 HG22 ILE 538 HG22 ILE 538 -7.460 -1.527 5.071 272 HG23 ILE 538 HG23 ILE 538 -6.822 -0.302 6.167 273 HD11 ILE 538 HD11 ILE 538 -6.819 2.552 5.507 274 HD12 ILE 538 HD12 ILE 538 -5.112 2.682 5.940 275 HD13 ILE 538 HD13 ILE 538 -6.065 1.304 6.502 276 H ASN 539 HN ASN 539 -8.331 -0.806 1.584 277 HA ASN 539 HA ASN 539 -9.251 -3.273 2.475 278 HB2 ASN 539 HB2 ASN 539 -9.792 -1.943 -0.184 279 HB3 ASN 539 HB3 ASN 539 -10.628 -3.379 0.380 280 HD21 ASN 539 HD21 ASN 539 -10.613 -2.247 3.175 281 HD22 ASN 539 HD22 ASN 539 -11.868 -1.072 3.164 282 H LEU 540 HN LEU 540 -6.902 -2.515 0.009 283 HA LEU 540 HA LEU 540 -6.765 -5.180 -1.015 284 HB2 LEU 540 HB2 LEU 540 -4.700 -2.973 -0.990 285 HB3 LEU 540 HB1 LEU 540 -4.605 -4.436 -1.949 286 HG LEU 540 HG LEU 540 -6.642 -2.235 -2.256 287 HD11 LEU 540 HD11 LEU 540 -5.536 -1.818 -4.367 288 HD12 LEU 540 HD12 LEU 540 -4.382 -3.109 -4.042 289 HD13 LEU 540 HD13 LEU 540 -4.395 -1.662 -3.034 290 HD21 LEU 540 HD21 LEU 540 -7.360 -3.471 -4.253 291 HD22 LEU 540 HD22 LEU 540 -7.652 -4.373 -2.767 292 HD23 LEU 540 HD23 LEU 540 -6.289 -4.798 -3.803 293 H GLY 541 HN GLY 541 -4.970 -3.293 1.392 294 HA2 GLY 541 HA2 GLY 541 -3.105 -5.256 2.081 295 HA3 GLY 541 HA3 GLY 541 -3.584 -3.901 3.092 296 H LEU 542 HN LEU 542 -6.163 -4.519 3.782 297 HA LEU 542 HA LEU 542 -5.518 -5.992 6.049 298 HB2 LEU 542 HB2 LEU 542 -8.111 -5.033 4.948 299 HB3 LEU 542 HB1 LEU 542 -8.072 -6.016 6.398 300 HG LEU 542 HG LEU 542 -6.551 -3.429 6.096 301 HD11 LEU 542 HD11 LEU 542 -9.209 -3.946 7.418 302 HD12 LEU 542 HD12 LEU 542 -8.946 -3.015 5.946 303 HD13 LEU 542 HD13 LEU 542 -8.300 -2.437 7.480 304 HD21 LEU 542 HD21 LEU 542 -7.238 -5.114 8.501 305 HD22 LEU 542 HD22 LEU 542 -6.367 -3.582 8.523 306 HD23 LEU 542 HD23 LEU 542 -5.652 -4.992 7.745 307 HA PRO 543 HA PRO 543 -8.340 -9.632 4.443 308 HB2 PRO 543 HB2 PRO 543 -7.714 -9.444 1.535 309 HB3 PRO 543 HB1 PRO 543 -9.223 -9.904 2.337 310 HG2 PRO 543 HG2 PRO 543 -9.033 -7.514 1.241 311 HG3 PRO 543 HG3 PRO 543 -9.768 -7.678 2.855 312 HD2 PRO 543 HD2 PRO 543 -6.971 -6.829 2.130 313 HD3 PRO 543 HD3 PRO 543 -8.108 -6.076 3.266 314 H PHE 544 HN PHE 544 -5.206 -8.796 3.037 315 HA PHE 544 HA PHE 544 -4.425 -11.617 3.186 316 HB2 PHE 544 HB2 PHE 544 -3.016 -9.228 1.994 317 HB3 PHE 544 HB3 PHE 544 -2.323 -10.842 2.066 318 HD1 PHE 544 HD1 PHE 544 -3.439 -12.695 0.812 319 HD2 PHE 544 HD2 PHE 544 -4.522 -8.611 0.303 320 HE1 PHE 544 HE1 PHE 544 -4.521 -13.251 -1.324 321 HE2 PHE 544 HE2 PHE 544 -5.604 -9.160 -1.838 322 HZ PHE 544 HZ PHE 544 -5.597 -11.466 -2.661 323 H GLY 545 HN GLY 545 -4.201 -8.709 4.956 324 HA2 GLY 545 HA2 GLY 545 -2.955 -9.916 7.156 325 HA3 GLY 545 HA3 GLY 545 -1.717 -9.067 6.241 326 H LYS 546 HN LYS 546 -2.525 -8.454 8.905 327 HA LYS 546 HA LYS 546 -4.399 -6.349 8.975 328 HB2 LYS 546 HB2 LYS 546 -3.853 -7.594 10.979 329 HB3 LYS 546 HB3 LYS 546 -2.182 -7.060 10.898 330 HG2 LYS 546 HG2 LYS 546 -3.476 -5.860 12.600 331 HG3 LYS 546 HG3 LYS 546 -2.847 -4.782 11.359 332 HD2 LYS 546 HD2 LYS 546 -4.995 -4.629 10.312 333 HD3 LYS 546 HD3 LYS 546 -5.649 -5.892 11.356 334 HE2 LYS 546 HE2 LYS 546 -6.352 -3.633 12.049 335 HE3 LYS 546 HE3 LYS 546 -5.424 -4.463 13.294 336 HZ1 LYS 546 HZ1 LYS 546 -4.784 -2.123 13.006 337 HZ2 LYS 546 HZ2 LYS 546 -4.295 -2.448 11.419 338 HZ3 LYS 546 HZ3 LYS 546 -3.499 -3.180 12.721 339 H VAL 547 HN VAL 547 -4.257 -4.323 8.477 340 HA VAL 547 HA VAL 547 -1.745 -3.155 7.616 341 HB VAL 547 HB VAL 547 -4.596 -2.153 7.518 342 HG11 VAL 547 HG11 VAL 547 -2.165 -0.873 6.273 343 HG12 VAL 547 HG12 VAL 547 -2.954 -0.299 7.743 344 HG13 VAL 547 HG13 VAL 547 -3.831 -0.289 6.214 345 HG21 VAL 547 HG21 VAL 547 -2.722 -3.243 5.436 346 HG22 VAL 547 HG22 VAL 547 -4.242 -2.438 5.063 347 HG23 VAL 547 HG23 VAL 547 -4.245 -3.938 5.987 348 H THR 548 HN THR 548 -0.507 -2.205 9.077 349 HA THR 548 HA THR 548 -1.692 -1.126 11.503 350 HB THR 548 HB THR 548 0.746 -0.832 12.155 351 HG1 THR 548 HG1 THR 548 2.071 -1.005 10.498 352 HG21 THR 548 HG21 THR 548 1.086 -3.228 12.558 353 HG22 THR 548 HG22 THR 548 -0.191 -3.603 11.402 354 HG23 THR 548 HG23 THR 548 -0.578 -2.752 12.897 355 H ASN 549 HN ASN 549 0.086 -0.051 8.680 356 HA ASN 549 HA ASN 549 -0.713 2.703 9.264 357 HB2 ASN 549 HB2 ASN 549 2.136 1.828 8.790 358 HB3 ASN 549 HB3 ASN 549 1.607 3.466 8.463 359 HD21 ASN 549 HD21 ASN 549 3.605 2.693 10.266 360 HD22 ASN 549 HD22 ASN 549 3.096 3.210 11.832 361 H TYR 550 HN TYR 550 -0.484 4.118 7.413 362 HA TYR 550 HA TYR 550 -0.066 3.023 4.798 363 HB2 TYR 550 HB2 TYR 550 -2.394 3.465 4.019 364 HB3 TYR 550 HB3 TYR 550 -2.299 2.147 5.183 365 HD1 TYR 550 HD1 TYR 550 -4.072 5.009 4.298 366 HD2 TYR 550 HD2 TYR 550 -2.632 2.938 7.717 367 HE1 TYR 550 HE1 TYR 550 -5.748 6.144 5.699 368 HE2 TYR 550 HE2 TYR 550 -4.308 4.056 9.114 369 HH TYR 550 HH TYR 550 -5.767 5.814 9.180 370 H ILE 551 HN ILE 551 -0.122 4.685 3.158 371 HA ILE 551 HA ILE 551 -0.344 7.446 4.091 372 HB ILE 551 HB ILE 551 2.118 6.415 2.673 373 HG12 ILE 551 HG12 ILE 551 1.909 7.282 5.566 374 HG13 ILE 551 HG13 ILE 551 1.992 5.605 5.039 375 HG21 ILE 551 HG21 ILE 551 1.491 9.098 3.880 376 HG22 ILE 551 HG22 ILE 551 1.600 8.715 2.161 377 HG23 ILE 551 HG23 ILE 551 3.040 8.635 3.177 378 HD11 ILE 551 HD11 ILE 551 4.148 6.393 5.813 379 HD12 ILE 551 HD12 ILE 551 4.116 7.694 4.623 380 HD13 ILE 551 HD13 ILE 551 4.199 6.014 4.091 381 H LEU 552 HN LEU 552 -1.302 8.638 2.433 382 HA LEU 552 HA LEU 552 -1.366 7.292 -0.174 383 HB2 LEU 552 HB2 LEU 552 -3.324 9.197 1.086 384 HB3 LEU 552 HB1 LEU 552 -3.373 8.744 -0.607 385 HG LEU 552 HG LEU 552 -3.867 7.010 1.796 386 HD11 LEU 552 HD11 LEU 552 -5.681 8.431 0.978 387 HD12 LEU 552 HD12 LEU 552 -6.023 6.718 0.751 388 HD13 LEU 552 HD13 LEU 552 -5.516 7.703 -0.621 389 HD21 LEU 552 HD21 LEU 552 -2.495 5.734 0.222 390 HD22 LEU 552 HD22 LEU 552 -3.607 6.147 -1.085 391 HD23 LEU 552 HD23 LEU 552 -4.155 5.141 0.255 392 H MET 553 HN MET 553 -0.235 8.231 -1.756 393 HA MET 553 HA MET 553 0.677 11.003 -1.284 394 HB2 MET 553 HB2 MET 553 1.802 9.062 -3.312 395 HB3 MET 553 HB3 MET 553 2.535 10.545 -2.723 396 HG2 MET 553 HG2 MET 553 3.140 9.585 -0.693 397 HG3 MET 553 HG3 MET 553 2.005 8.247 -0.882 398 HE1 MET 553 HE1 MET 553 5.407 9.810 -2.093 399 HE2 MET 553 HE2 MET 553 4.468 9.712 -3.581 400 HE3 MET 553 HE3 MET 553 5.880 8.679 -3.360 401 H LYS 554 HN LYS 554 -1.532 11.525 -1.979 402 HA LYS 554 HA LYS 554 -2.632 11.246 -4.389 403 HB2 LYS 554 HB2 LYS 554 -2.578 13.961 -3.113 404 HB3 LYS 554 HB3 LYS 554 -3.886 13.192 -4.001 405 HG2 LYS 554 HG2 LYS 554 -2.899 12.498 -1.244 406 HG3 LYS 554 HG3 LYS 554 -4.447 13.218 -1.682 407 HD2 LYS 554 HD2 LYS 554 -4.936 11.113 -2.975 408 HD3 LYS 554 HD3 LYS 554 -3.485 10.409 -2.246 409 HE2 LYS 554 HE2 LYS 554 -5.415 9.747 -0.970 410 HE3 LYS 554 HE3 LYS 554 -4.442 10.860 -0.012 411 HZ1 LYS 554 HZ1 LYS 554 -6.900 11.576 -1.519 412 HZ2 LYS 554 HZ2 LYS 554 -5.974 12.635 -0.584 413 HZ3 LYS 554 HZ3 LYS 554 -6.799 11.360 0.153 414 H SER 555 HN SER 555 0.274 13.114 -3.839 415 HA SER 555 HA SER 555 -0.066 14.838 -6.074 416 HB2 SER 555 HB2 SER 555 2.316 15.413 -5.616 417 HB3 SER 555 HB3 SER 555 1.279 15.538 -4.195 418 HG SER 555 HG SER 555 3.482 14.149 -4.413 419 H THR 556 HN THR 556 1.784 11.859 -5.482 420 HA THR 556 HA THR 556 2.704 11.900 -8.255 421 HB THR 556 HB THR 556 4.225 10.061 -7.506 422 HG1 THR 556 HG1 THR 556 4.224 9.438 -5.415 423 HG21 THR 556 HG21 THR 556 5.684 11.495 -6.152 424 HG22 THR 556 HG22 THR 556 4.344 12.614 -5.899 425 HG23 THR 556 HG23 THR 556 4.999 12.375 -7.519 426 H ASN 557 HN ASN 557 0.022 10.806 -6.888 427 HA ASN 557 HA ASN 557 -1.506 9.175 -7.322 428 HB2 ASN 557 HB2 ASN 557 0.208 8.544 -9.744 429 HB3 ASN 557 HB3 ASN 557 -1.462 8.055 -9.496 430 HD21 ASN 557 HD21 ASN 557 0.664 10.549 -10.486 431 HD22 ASN 557 HD22 ASN 557 -0.542 11.684 -10.987 432 H GLN 558 HN GLN 558 0.488 8.612 -5.526 433 HA GLN 558 HA GLN 558 0.910 5.726 -5.861 434 HB2 GLN 558 HB2 GLN 558 3.014 7.736 -5.031 435 HB3 GLN 558 HB3 GLN 558 3.199 5.992 -4.891 436 HG2 GLN 558 HG2 GLN 558 3.107 5.728 -7.266 437 HG3 GLN 558 HG3 GLN 558 2.700 7.430 -7.486 438 HE21 GLN 558 HE21 GLN 558 4.460 7.828 -8.783 439 HE22 GLN 558 HE22 GLN 558 6.078 7.883 -8.173 440 H ALA 559 HN ALA 559 1.575 4.715 -3.669 441 HA ALA 559 HA ALA 559 0.903 6.262 -1.339 442 HB1 ALA 559 HB1 ALA 559 -0.970 4.820 -0.653 443 HB2 ALA 559 HB2 ALA 559 -0.919 4.043 -2.244 444 HB3 ALA 559 HB3 ALA 559 -1.316 5.762 -2.109 445 H PHE 560 HN PHE 560 1.058 4.968 0.646 446 HA PHE 560 HA PHE 560 2.826 2.614 0.329 447 HB2 PHE 560 HB2 PHE 560 2.870 4.721 2.493 448 HB3 PHE 560 HB3 PHE 560 3.751 3.207 2.593 449 HD1 PHE 560 HD1 PHE 560 5.520 2.726 0.864 450 HD2 PHE 560 HD2 PHE 560 3.767 6.569 1.375 451 HE1 PHE 560 HE1 PHE 560 7.438 3.751 -0.286 452 HE2 PHE 560 HE2 PHE 560 5.679 7.599 0.224 453 HZ PHE 560 HZ PHE 560 7.520 6.190 -0.607 454 H LEU 561 HN LEU 561 2.488 0.852 1.608 455 HA LEU 561 HA LEU 561 0.169 0.904 3.423 456 HB2 LEU 561 HB2 LEU 561 -0.498 -0.037 1.250 457 HB3 LEU 561 HB1 LEU 561 0.804 -1.200 1.344 458 HG LEU 561 HG LEU 561 -0.295 -2.195 3.349 459 HD11 LEU 561 HD11 LEU 561 -1.570 -0.255 4.077 460 HD12 LEU 561 HD12 LEU 561 -2.642 -1.625 3.780 461 HD13 LEU 561 HD13 LEU 561 -2.534 -0.317 2.602 462 HD21 LEU 561 HD21 LEU 561 -2.068 -2.113 0.908 463 HD22 LEU 561 HD22 LEU 561 -1.937 -3.411 2.094 464 HD23 LEU 561 HD23 LEU 561 -0.583 -3.059 1.019 465 H GLU 562 HN GLU 562 0.840 0.338 5.375 466 HA GLU 562 HA GLU 562 3.198 -1.387 5.633 467 HB2 GLU 562 HB2 GLU 562 3.048 0.846 6.852 468 HB3 GLU 562 HB3 GLU 562 1.826 0.094 7.869 469 HG2 GLU 562 HG2 GLU 562 3.488 -1.657 8.466 470 HG3 GLU 562 HG3 GLU 562 4.700 -0.742 7.573 471 H MET 563 HN MET 563 3.027 -3.391 6.196 472 HA MET 563 HA MET 563 0.454 -4.404 7.210 473 HB2 MET 563 HB2 MET 563 2.615 -5.934 5.747 474 HB3 MET 563 HB3 MET 563 0.974 -6.472 6.089 475 HG2 MET 563 HG2 MET 563 0.049 -5.137 4.457 476 HG3 MET 563 HG3 MET 563 1.410 -4.019 4.457 477 HE1 MET 563 HE1 MET 563 1.582 -5.375 0.813 478 HE2 MET 563 HE2 MET 563 1.731 -3.932 1.815 479 HE3 MET 563 HE3 MET 563 0.208 -4.824 1.773 480 H ALA 564 HN ALA 564 0.631 -6.226 8.727 481 HA ALA 564 HA ALA 564 2.385 -5.395 10.830 482 HB1 ALA 564 HB1 ALA 564 1.219 -7.030 12.191 483 HB2 ALA 564 HB2 ALA 564 0.466 -7.718 10.752 484 HB3 ALA 564 HB3 ALA 564 0.070 -6.075 11.254 485 H TYR 565 HN TYR 565 2.421 -7.929 8.475 486 HA TYR 565 HA TYR 565 4.974 -8.862 9.559 487 HB2 TYR 565 HB2 TYR 565 2.626 -10.614 8.817 488 HB3 TYR 565 HB3 TYR 565 4.268 -11.223 8.978 489 HD1 TYR 565 HD1 TYR 565 1.235 -10.632 10.680 490 HD2 TYR 565 HD2 TYR 565 5.447 -10.691 11.242 491 HE1 TYR 565 HE1 TYR 565 0.903 -10.908 13.102 492 HE2 TYR 565 HE2 TYR 565 5.130 -10.967 13.660 493 HH TYR 565 HH TYR 565 2.172 -11.808 15.043 494 H THR 566 HN THR 566 6.372 -9.740 8.028 495 HA THR 566 HA THR 566 6.204 -8.486 5.483 496 HB THR 566 HB THR 566 8.355 -9.058 6.785 497 HG1 THR 566 HG1 THR 566 9.238 -9.692 4.438 498 HG21 THR 566 HG21 THR 566 7.912 -11.673 5.340 499 HG22 THR 566 HG22 THR 566 8.049 -11.438 7.082 500 HG23 THR 566 HG23 THR 566 9.446 -11.164 6.043 501 H GLU 567 HN GLU 567 5.371 -11.615 6.678 502 HA GLU 567 HA GLU 567 5.259 -13.126 4.358 503 HB2 GLU 567 HB2 GLU 567 3.631 -14.512 5.502 504 HB3 GLU 567 HB3 GLU 567 4.896 -14.023 6.620 505 HG2 GLU 567 HG2 GLU 567 3.377 -12.249 7.479 506 HG3 GLU 567 HG3 GLU 567 2.114 -12.894 6.430 507 H ALA 568 HN ALA 568 3.147 -10.582 5.455 508 HA ALA 568 HA ALA 568 0.938 -11.295 3.774 509 HB1 ALA 568 HB1 ALA 568 1.510 -8.691 5.182 510 HB2 ALA 568 HB2 ALA 568 0.625 -10.055 5.865 511 HB3 ALA 568 HB3 ALA 568 -0.032 -9.185 4.480 512 H ALA 569 HN ALA 569 3.659 -9.063 3.574 513 HA ALA 569 HA ALA 569 2.686 -7.560 1.389 514 HB1 ALA 569 HB1 ALA 569 5.520 -7.964 2.321 515 HB2 ALA 569 HB2 ALA 569 4.409 -6.707 2.867 516 HB3 ALA 569 HB3 ALA 569 4.975 -6.720 1.197 517 H GLN 570 HN GLN 570 4.897 -10.331 1.573 518 HA GLN 570 HA GLN 570 5.452 -10.335 -1.205 519 HB2 GLN 570 HB2 GLN 570 6.220 -12.730 -0.758 520 HB3 GLN 570 HB3 GLN 570 7.061 -11.439 0.083 521 HG2 GLN 570 HG2 GLN 570 5.772 -11.904 2.098 522 HG3 GLN 570 HG3 GLN 570 4.916 -13.193 1.252 523 HE21 GLN 570 HE21 GLN 570 6.703 -13.195 3.622 524 HE22 GLN 570 HE22 GLN 570 7.914 -14.374 3.272 525 H ALA 571 HN ALA 571 3.020 -11.880 0.794 526 HA ALA 571 HA ALA 571 1.904 -13.549 -1.179 527 HB1 ALA 571 HB1 ALA 571 1.421 -13.789 1.207 528 HB2 ALA 571 HB2 ALA 571 -0.061 -13.619 0.265 529 HB3 ALA 571 HB3 ALA 571 0.559 -12.250 1.189 530 H MET 572 HN MET 572 1.182 -10.201 -0.211 531 HA MET 572 HA MET 572 -0.981 -9.850 -2.000 532 HB2 MET 572 HB2 MET 572 0.844 -7.699 -0.918 533 HB3 MET 572 HB3 MET 572 -0.760 -7.465 -1.594 534 HG2 MET 572 HG2 MET 572 -1.591 -8.963 0.280 535 HG3 MET 572 HG3 MET 572 0.006 -8.748 0.997 536 HE1 MET 572 HE1 MET 572 -2.009 -7.989 2.967 537 HE2 MET 572 HE2 MET 572 -1.593 -6.332 3.396 538 HE3 MET 572 HE3 MET 572 -0.319 -7.518 3.116 539 H VAL 573 HN VAL 573 2.490 -9.066 -2.276 540 HA VAL 573 HA VAL 573 2.344 -7.763 -4.747 541 HB VAL 573 HB VAL 573 4.629 -9.390 -3.607 542 HG11 VAL 573 HG11 VAL 573 4.871 -9.160 -6.027 543 HG12 VAL 573 HG12 VAL 573 6.059 -8.167 -5.184 544 HG13 VAL 573 HG13 VAL 573 4.631 -7.418 -5.895 545 HG21 VAL 573 HG21 VAL 573 5.549 -7.196 -2.994 546 HG22 VAL 573 HG22 VAL 573 3.997 -7.497 -2.213 547 HG23 VAL 573 HG23 VAL 573 4.088 -6.420 -3.607 548 H GLN 574 HN GLN 574 2.899 -11.202 -4.011 549 HA GLN 574 HA GLN 574 3.144 -12.091 -6.663 550 HB2 GLN 574 HB2 GLN 574 2.103 -13.506 -4.207 551 HB3 GLN 574 HB3 GLN 574 2.404 -14.309 -5.740 552 HG2 GLN 574 HG2 GLN 574 4.762 -13.701 -5.597 553 HG3 GLN 574 HG3 GLN 574 4.457 -12.897 -4.056 554 HE21 GLN 574 HE21 GLN 574 2.530 -14.938 -3.222 555 HE22 GLN 574 HE22 GLN 574 3.461 -16.312 -2.772 556 H TYR 575 HN TYR 575 0.349 -11.507 -4.642 557 HA TYR 575 HA TYR 575 -1.535 -12.750 -6.380 558 HB2 TYR 575 HB2 TYR 575 -2.059 -12.436 -4.024 559 HB3 TYR 575 HB3 TYR 575 -1.946 -10.689 -4.204 560 HD1 TYR 575 HD1 TYR 575 -3.823 -9.432 -4.862 561 HD2 TYR 575 HD2 TYR 575 -3.883 -13.662 -5.292 562 HE1 TYR 575 HE1 TYR 575 -6.214 -9.334 -5.422 563 HE2 TYR 575 HE2 TYR 575 -6.275 -13.576 -5.852 564 HH TYR 575 HH TYR 575 -7.893 -10.626 -6.540 565 H TYR 576 HN TYR 576 -0.744 -9.338 -5.747 566 HA TYR 576 HA TYR 576 -2.490 -8.421 -7.795 567 HB2 TYR 576 HB2 TYR 576 -0.400 -6.982 -6.167 568 HB3 TYR 576 HB3 TYR 576 -1.480 -6.178 -7.308 569 HD1 TYR 576 HD1 TYR 576 -4.004 -6.480 -6.947 570 HD2 TYR 576 HD2 TYR 576 -1.104 -7.382 -3.973 571 HE1 TYR 576 HE1 TYR 576 -5.750 -6.381 -5.221 572 HE2 TYR 576 HE2 TYR 576 -2.840 -7.280 -2.238 573 HH TYR 576 HH TYR 576 -6.165 -7.225 -2.988 574 H GLN 577 HN GLN 577 0.721 -9.555 -7.936 575 HA GLN 577 HA GLN 577 1.382 -8.198 -10.375 576 HB2 GLN 577 HB2 GLN 577 2.503 -10.661 -9.053 577 HB3 GLN 577 HB3 GLN 577 3.058 -10.114 -10.629 578 HG2 GLN 577 HG2 GLN 577 3.131 -8.444 -8.127 579 HG3 GLN 577 HG3 GLN 577 4.485 -9.390 -8.735 580 HE21 GLN 577 HE21 GLN 577 5.790 -7.619 -9.019 581 HE22 GLN 577 HE22 GLN 577 5.524 -6.449 -10.264 582 H GLU 578 HN GLU 578 -0.042 -11.330 -9.550 583 HA GLU 578 HA GLU 578 -0.436 -12.000 -12.336 584 HB2 GLU 578 HB2 GLU 578 -1.542 -13.367 -9.877 585 HB3 GLU 578 HB3 GLU 578 -1.470 -14.030 -11.503 586 HG2 GLU 578 HG2 GLU 578 0.885 -13.369 -9.749 587 HG3 GLU 578 HG3 GLU 578 0.260 -14.978 -10.099 588 H LYS 579 HN LYS 579 -2.438 -10.964 -9.590 589 HA LYS 579 HA LYS 579 -4.524 -10.163 -11.503 590 HB2 LYS 579 HB2 LYS 579 -4.876 -11.393 -8.764 591 HB3 LYS 579 HB3 LYS 579 -6.166 -10.600 -9.649 592 HG2 LYS 579 HG2 LYS 579 -5.930 -12.260 -11.445 593 HG3 LYS 579 HG3 LYS 579 -4.683 -13.074 -10.496 594 HD2 LYS 579 HD2 LYS 579 -6.855 -14.164 -10.213 595 HD3 LYS 579 HD3 LYS 579 -6.296 -13.458 -8.695 596 HE2 LYS 579 HE2 LYS 579 -7.744 -11.512 -9.077 597 HE3 LYS 579 HE3 LYS 579 -8.306 -12.231 -10.585 598 HZ1 LYS 579 HZ1 LYS 579 -9.855 -12.583 -8.752 599 HZ2 LYS 579 HZ2 LYS 579 -8.664 -13.418 -7.890 600 HZ3 LYS 579 HZ3 LYS 579 -9.253 -14.050 -9.344 601 HA PRO 580 HA PRO 580 -3.196 -6.444 -9.168 602 HB2 PRO 580 HB2 PRO 580 -3.731 -4.694 -11.156 603 HB3 PRO 580 HB1 PRO 580 -2.228 -5.619 -11.080 604 HG2 PRO 580 HG2 PRO 580 -4.683 -6.126 -12.710 605 HG3 PRO 580 HG3 PRO 580 -2.980 -6.260 -13.181 606 HD2 PRO 580 HD2 PRO 580 -4.505 -8.408 -12.513 607 HD3 PRO 580 HD3 PRO 580 -2.754 -8.345 -12.239 608 H ALA 581 HN ALA 581 -4.386 -4.554 -8.480 609 HA ALA 581 HA ALA 581 -7.258 -5.072 -8.362 610 HB1 ALA 581 HB1 ALA 581 -6.088 -4.622 -6.262 611 HB2 ALA 581 HB2 ALA 581 -7.277 -3.366 -6.602 612 HB3 ALA 581 HB3 ALA 581 -5.564 -3.058 -6.883 613 H ILE 582 HN ILE 582 -8.767 -3.758 -9.302 614 HA ILE 582 HA ILE 582 -7.684 -1.802 -11.195 615 HB ILE 582 HB ILE 582 -10.489 -2.915 -11.102 616 HG12 ILE 582 HG12 ILE 582 -8.137 -3.837 -12.772 617 HG13 ILE 582 HG13 ILE 582 -8.833 -4.722 -11.420 618 HG21 ILE 582 HG21 ILE 582 -10.601 -2.135 -13.419 619 HG22 ILE 582 HG22 ILE 582 -8.960 -1.504 -13.287 620 HG23 ILE 582 HG23 ILE 582 -10.252 -0.807 -12.310 621 HD11 ILE 582 HD11 ILE 582 -9.585 -5.629 -13.535 622 HD12 ILE 582 HD12 ILE 582 -10.220 -4.053 -14.004 623 HD13 ILE 582 HD13 ILE 582 -10.937 -4.924 -12.650 624 H ILE 583 HN ILE 583 -7.848 0.303 -10.794 625 HA ILE 583 HA ILE 583 -10.220 1.253 -9.343 626 HB ILE 583 HB ILE 583 -7.383 2.220 -8.961 627 HG12 ILE 583 HG12 ILE 583 -8.074 0.275 -7.587 628 HG13 ILE 583 HG13 ILE 583 -7.751 1.706 -6.614 629 HG21 ILE 583 HG21 ILE 583 -8.882 4.126 -9.201 630 HG22 ILE 583 HG22 ILE 583 -8.291 3.981 -7.545 631 HG23 ILE 583 HG23 ILE 583 -9.931 3.467 -7.947 632 HD11 ILE 583 HD11 ILE 583 -9.702 0.587 -5.786 633 HD12 ILE 583 HD12 ILE 583 -10.451 0.632 -7.381 634 HD13 ILE 583 HD13 ILE 583 -10.172 2.132 -6.497 635 H ASN 584 HN ASN 584 -11.377 2.282 -10.805 636 HA ASN 584 HA ASN 584 -12.026 3.723 -12.426 637 HB2 ASN 584 HB2 ASN 584 -9.496 5.141 -11.580 638 HB3 ASN 584 HB3 ASN 584 -10.627 5.805 -12.748 639 HD21 ASN 584 HD21 ASN 584 -11.502 3.974 -9.874 640 HD22 ASN 584 HD22 ASN 584 -12.290 5.280 -9.065 641 H GLY 585 HN GLY 585 -10.507 1.422 -13.135 642 HA2 GLY 585 HA2 GLY 585 -10.055 0.562 -15.231 643 HA3 GLY 585 HA3 GLY 585 -9.926 2.192 -15.862 644 H GLU 586 HN GLU 586 -8.007 1.984 -13.124 645 HA GLU 586 HA GLU 586 -5.667 1.258 -14.758 646 HB2 GLU 586 HB2 GLU 586 -5.883 3.156 -12.421 647 HB3 GLU 586 HB3 GLU 586 -4.350 2.621 -13.099 648 HG2 GLU 586 HG2 GLU 586 -5.071 3.552 -15.290 649 HG3 GLU 586 HG3 GLU 586 -6.493 4.213 -14.484 650 H LYS 587 HN LYS 587 -4.590 -0.507 -14.229 651 HA LYS 587 HA LYS 587 -5.218 -2.070 -11.935 652 HB2 LYS 587 HB2 LYS 587 -2.800 -2.339 -13.718 653 HB3 LYS 587 HB3 LYS 587 -3.504 -3.584 -12.705 654 HG2 LYS 587 HG2 LYS 587 -4.650 -2.401 -15.215 655 HG3 LYS 587 HG3 LYS 587 -4.089 -4.050 -14.957 656 HD2 LYS 587 HD2 LYS 587 -5.896 -4.319 -13.257 657 HD3 LYS 587 HD3 LYS 587 -6.503 -2.729 -13.729 658 HE2 LYS 587 HE2 LYS 587 -6.278 -5.181 -15.464 659 HE3 LYS 587 HE3 LYS 587 -7.759 -4.425 -14.887 660 HZ1 LYS 587 HZ1 LYS 587 -5.807 -3.218 -16.770 661 HZ2 LYS 587 HZ2 LYS 587 -7.204 -2.461 -16.198 662 HZ3 LYS 587 HZ3 LYS 587 -7.328 -3.835 -17.172 663 H LEU 588 HN LEU 588 -4.381 -1.986 -9.939 664 HA LEU 588 HA LEU 588 -2.328 -0.057 -9.329 665 HB2 LEU 588 HB2 LEU 588 -3.673 -2.018 -7.477 666 HB3 LEU 588 HB1 LEU 588 -2.803 -0.566 -7.025 667 HG LEU 588 HG LEU 588 -5.457 -0.708 -8.445 668 HD11 LEU 588 HD11 LEU 588 -4.627 0.201 -5.700 669 HD12 LEU 588 HD12 LEU 588 -5.693 -1.141 -6.119 670 HD13 LEU 588 HD13 LEU 588 -6.208 0.518 -6.410 671 HD21 LEU 588 HD21 LEU 588 -4.188 1.130 -9.355 672 HD22 LEU 588 HD22 LEU 588 -3.773 1.684 -7.734 673 HD23 LEU 588 HD23 LEU 588 -5.446 1.748 -8.285 674 H LEU 589 HN LEU 589 -0.304 -0.437 -8.604 675 HA LEU 589 HA LEU 589 0.661 -3.220 -8.789 676 HB2 LEU 589 HB2 LEU 589 1.544 -1.818 -10.566 677 HB3 LEU 589 HB1 LEU 589 2.108 -0.641 -9.396 678 HG LEU 589 HG LEU 589 3.699 -2.318 -8.516 679 HD11 LEU 589 HD11 LEU 589 2.531 -4.351 -9.074 680 HD12 LEU 589 HD12 LEU 589 4.112 -4.348 -9.857 681 HD13 LEU 589 HD13 LEU 589 2.661 -3.988 -10.794 682 HD21 LEU 589 HD21 LEU 589 4.431 -0.725 -10.198 683 HD22 LEU 589 HD22 LEU 589 3.877 -1.802 -11.481 684 HD23 LEU 589 HD23 LEU 589 5.217 -2.284 -10.441 685 H ILE 590 HN ILE 590 1.024 -4.022 -6.806 686 HA ILE 590 HA ILE 590 2.067 -2.249 -4.718 687 HB ILE 590 HB ILE 590 1.030 -5.085 -4.483 688 HG12 ILE 590 HG12 ILE 590 -0.237 -2.408 -3.868 689 HG13 ILE 590 HG13 ILE 590 -0.782 -3.597 -5.041 690 HG21 ILE 590 HG21 ILE 590 2.668 -4.601 -2.765 691 HG22 ILE 590 HG22 ILE 590 1.054 -4.657 -2.056 692 HG23 ILE 590 HG23 ILE 590 1.834 -3.104 -2.354 693 HD11 ILE 590 HD11 ILE 590 -2.232 -3.691 -3.168 694 HD12 ILE 590 HD12 ILE 590 -0.878 -3.807 -2.038 695 HD13 ILE 590 HD13 ILE 590 -1.235 -5.147 -3.138 696 H ARG 591 HN ARG 591 4.121 -2.364 -4.028 697 HA ARG 591 HA ARG 591 5.779 -4.682 -4.654 698 HB2 ARG 591 HB2 ARG 591 6.329 -1.898 -5.692 699 HB3 ARG 591 HB3 ARG 591 7.566 -3.139 -5.581 700 HG2 ARG 591 HG2 ARG 591 6.264 -4.548 -7.110 701 HG3 ARG 591 HG3 ARG 591 5.061 -3.264 -7.244 702 HD2 ARG 591 HD2 ARG 591 6.608 -3.226 -9.133 703 HD3 ARG 591 HD3 ARG 591 6.753 -1.764 -8.161 704 HE ARG 591 HE ARG 591 8.628 -3.796 -7.403 705 HH11 ARG 591 HH11 ARG 591 8.032 -1.224 -9.698 706 HH12 ARG 591 HH12 ARG 591 9.712 -0.926 -10.001 707 HH21 ARG 591 HH21 ARG 591 10.847 -3.419 -7.813 708 HH22 ARG 591 HH22 ARG 591 11.312 -2.182 -8.940 709 H MET 592 HN MET 592 7.856 -4.603 -3.547 710 HA MET 592 HA MET 592 7.667 -3.237 -0.988 711 HB2 MET 592 HB2 MET 592 9.704 -5.172 -2.096 712 HB3 MET 592 HB3 MET 592 9.827 -4.432 -0.508 713 HG2 MET 592 HG2 MET 592 7.552 -5.431 -0.023 714 HG3 MET 592 HG3 MET 592 7.773 -6.376 -1.495 715 HE1 MET 592 HE1 MET 592 7.237 -7.732 1.306 716 HE2 MET 592 HE2 MET 592 8.417 -9.040 1.281 717 HE3 MET 592 HE3 MET 592 7.511 -8.642 -0.178 718 H SER 593 HN SER 593 8.720 -1.403 -0.461 719 HA SER 593 HA SER 593 9.874 0.155 -2.503 720 HB2 SER 593 HB2 SER 593 8.739 1.169 -0.599 721 HB3 SER 593 HB3 SER 593 9.982 0.554 0.489 722 HG SER 593 HG SER 593 10.060 2.679 -1.304 723 H THR 594 HN THR 594 11.816 0.375 -3.192 724 HA THR 594 HA THR 594 13.963 -1.195 -2.025 725 HB THR 594 HB THR 594 15.223 -0.391 -4.096 726 HG1 THR 594 HG1 THR 594 13.381 0.127 -5.744 727 HG21 THR 594 HG21 THR 594 14.254 -2.624 -3.920 728 HG22 THR 594 HG22 THR 594 14.071 -1.989 -5.553 729 HG23 THR 594 HG23 THR 594 12.694 -1.999 -4.454 730 H ARG 595 HN ARG 595 12.821 1.947 -1.694 731 HA ARG 595 HA ARG 595 15.535 3.041 -1.396 732 HB2 ARG 595 HB2 ARG 595 12.923 4.486 -1.805 733 HB3 ARG 595 HB3 ARG 595 14.474 5.275 -1.545 734 HG2 ARG 595 HG2 ARG 595 15.323 4.166 -3.587 735 HG3 ARG 595 HG3 ARG 595 13.703 3.518 -3.859 736 HD2 ARG 595 HD2 ARG 595 12.828 5.820 -3.921 737 HD3 ARG 595 HD3 ARG 595 14.471 6.430 -3.728 738 HE ARG 595 HE ARG 595 14.470 4.733 -5.932 739 HH11 ARG 595 HH11 ARG 595 13.037 7.773 -4.961 740 HH12 ARG 595 HH12 ARG 595 12.912 8.381 -6.581 741 HH21 ARG 595 HH21 ARG 595 14.339 5.537 -8.069 742 HH22 ARG 595 HH22 ARG 595 13.651 7.106 -8.354 743 H TYR 596 HN TYR 596 12.546 2.501 0.360 744 HA TYR 596 HA TYR 596 13.792 3.794 2.698 745 HB2 TYR 596 HB2 TYR 596 10.923 3.778 1.808 746 HB3 TYR 596 HB3 TYR 596 11.365 4.120 3.478 747 HD1 TYR 596 HD1 TYR 596 11.605 5.329 0.003 748 HD2 TYR 596 HD2 TYR 596 12.368 6.201 4.091 749 HE1 TYR 596 HE1 TYR 596 12.014 7.683 -0.578 750 HE2 TYR 596 HE2 TYR 596 12.775 8.553 3.526 751 HH TYR 596 HH TYR 596 11.848 9.957 0.726 752 H LYS 597 HN LYS 597 13.570 2.906 4.718 753 HA LYS 597 HA LYS 597 12.841 0.058 4.717 754 HB2 LYS 597 HB2 LYS 597 14.840 1.538 6.432 755 HB3 LYS 597 HB3 LYS 597 14.367 -0.138 6.691 756 HG2 LYS 597 HG2 LYS 597 16.389 -0.251 5.517 757 HG3 LYS 597 HG3 LYS 597 15.152 -0.554 4.298 758 HD2 LYS 597 HD2 LYS 597 15.278 1.902 3.730 759 HD3 LYS 597 HD3 LYS 597 16.700 1.988 4.768 760 HE2 LYS 597 HE2 LYS 597 16.394 0.177 2.382 761 HE3 LYS 597 HE3 LYS 597 17.262 1.712 2.381 762 HZ1 LYS 597 HZ1 LYS 597 17.947 -0.650 4.044 763 HZ2 LYS 597 HZ2 LYS 597 18.795 0.806 4.006 764 HZ3 LYS 597 HZ3 LYS 597 18.752 -0.183 2.634 765 H GLU 598 HN GLU 598 11.740 3.029 5.852 766 HA GLU 598 HA GLU 598 10.122 1.667 7.867 767 HB2 GLU 598 HB2 GLU 598 12.069 2.570 9.076 768 HB3 GLU 598 HB3 GLU 598 11.706 4.173 8.454 769 HG2 GLU 598 HG2 GLU 598 9.539 4.109 9.636 770 HG3 GLU 598 HG3 GLU 598 9.993 2.541 10.313 771 H LEU 599 HN LEU 599 8.186 2.660 8.337 772 HA LEU 599 HA LEU 599 7.446 4.933 6.613 773 HB2 LEU 599 HB2 LEU 599 5.725 2.711 7.705 774 HB3 LEU 599 HB1 LEU 599 5.092 4.123 6.878 775 HG LEU 599 HG LEU 599 6.905 2.026 5.694 776 HD11 LEU 599 HD11 LEU 599 4.951 1.663 4.192 777 HD12 LEU 599 HD12 LEU 599 4.005 2.681 5.278 778 HD13 LEU 599 HD13 LEU 599 4.702 1.171 5.867 779 HD21 LEU 599 HD21 LEU 599 6.389 3.291 3.566 780 HD22 LEU 599 HD22 LEU 599 7.533 4.041 4.673 781 HD23 LEU 599 HD23 LEU 599 5.867 4.618 4.599 782 H GLN 600 HN GLN 600 7.084 6.778 7.580 783 HA GLN 600 HA GLN 600 6.287 6.762 10.410 784 HB2 GLN 600 HB2 GLN 600 8.515 7.765 9.940 785 HB3 GLN 600 HB3 GLN 600 7.735 8.941 8.892 786 HG2 GLN 600 HG2 GLN 600 6.503 9.840 10.780 787 HG3 GLN 600 HG3 GLN 600 7.221 8.629 11.842 788 HE21 GLN 600 HE21 GLN 600 7.745 11.562 10.075 789 HE22 GLN 600 HE22 GLN 600 9.261 11.965 10.796 790 H LEU 601 HN LEU 601 4.286 7.489 10.839 791 HA LEU 601 HA LEU 601 2.683 8.605 8.727 792 HB2 LEU 601 HB2 LEU 601 2.085 8.081 11.635 793 HB3 LEU 601 HB1 LEU 601 0.919 8.744 10.512 794 HG LEU 601 HG LEU 601 2.138 5.981 10.454 795 HD11 LEU 601 HD11 LEU 601 0.340 6.310 12.062 796 HD12 LEU 601 HD12 LEU 601 -0.190 5.285 10.728 797 HD13 LEU 601 HD13 LEU 601 -0.690 6.974 10.796 798 HD21 LEU 601 HD21 LEU 601 1.970 6.759 8.167 799 HD22 LEU 601 HD22 LEU 601 0.324 7.328 8.449 800 HD23 LEU 601 HD23 LEU 601 0.678 5.602 8.490 801 H LYS 602 HN LYS 602 3.553 10.599 8.221 802 HA LYS 602 HA LYS 602 3.938 12.676 10.135 803 HB2 LYS 602 HB2 LYS 602 3.489 12.812 7.148 804 HB3 LYS 602 HB3 LYS 602 3.998 14.164 8.148 805 HG2 LYS 602 HG2 LYS 602 6.060 13.011 8.701 806 HG3 LYS 602 HG3 LYS 602 5.544 11.610 7.759 807 HD2 LYS 602 HD2 LYS 602 5.482 13.011 5.742 808 HD3 LYS 602 HD3 LYS 602 6.039 14.386 6.695 809 HE2 LYS 602 HE2 LYS 602 8.114 13.250 7.189 810 HE3 LYS 602 HE3 LYS 602 7.552 11.803 6.353 811 HZ1 LYS 602 HZ1 LYS 602 9.020 13.058 4.944 812 HZ2 LYS 602 HZ2 LYS 602 8.075 14.451 5.116 813 HZ3 LYS 602 HZ3 LYS 602 7.455 13.104 4.299 814 H LYS 603 HN LYS 603 1.251 11.371 8.468 815 HA LYS 603 HA LYS 603 -0.489 13.505 9.512 816 HB2 LYS 603 HB2 LYS 603 -0.941 11.637 7.168 817 HB3 LYS 603 HB3 LYS 603 -2.114 12.800 7.768 818 HG2 LYS 603 HG2 LYS 603 0.587 13.485 6.626 819 HG3 LYS 603 HG3 LYS 603 -0.949 13.592 5.765 820 HD2 LYS 603 HD2 LYS 603 -1.746 15.235 7.399 821 HD3 LYS 603 HD3 LYS 603 -0.207 15.129 8.254 822 HE2 LYS 603 HE2 LYS 603 -0.235 17.089 6.833 823 HE3 LYS 603 HE3 LYS 603 0.952 15.929 6.244 824 HZ1 LYS 603 HZ1 LYS 603 -0.625 15.222 4.555 825 HZ2 LYS 603 HZ2 LYS 603 -0.345 16.884 4.442 826 HZ3 LYS 603 HZ3 LYS 603 -1.779 16.315 5.136 827 HA PRO 604 HA PRO 604 -2.196 10.362 12.160 828 HB2 PRO 604 HB2 PRO 604 -4.616 11.503 12.664 829 HB3 PRO 604 HB1 PRO 604 -3.116 12.055 13.416 830 HG2 PRO 604 HG2 PRO 604 -4.584 13.188 11.071 831 HG3 PRO 604 HG3 PRO 604 -3.815 14.036 12.426 832 HD2 PRO 604 HD2 PRO 604 -2.644 13.814 9.997 833 HD3 PRO 604 HD3 PRO 604 -1.708 13.855 11.504 834 H GLY 605 HN GLY 605 -3.891 8.758 12.165 835 HA2 GLY 605 HA2 GLY 605 -5.314 8.568 9.604 836 HA3 GLY 605 HA3 GLY 605 -4.351 7.224 10.201 837 H LYS 606 HN LYS 606 -7.218 7.520 9.616 838 HA LYS 606 HA LYS 606 -8.698 7.274 12.025 839 HB2 LYS 606 HB2 LYS 606 -9.298 6.145 9.279 840 HB3 LYS 606 HB3 LYS 606 -10.456 6.351 10.585 841 HG2 LYS 606 HG2 LYS 606 -10.278 8.740 10.446 842 HG3 LYS 606 HG3 LYS 606 -8.969 8.615 9.271 843 HD2 LYS 606 HD2 LYS 606 -11.796 7.648 8.840 844 HD3 LYS 606 HD3 LYS 606 -11.136 9.163 8.224 845 HE2 LYS 606 HE2 LYS 606 -9.443 7.867 6.965 846 HE3 LYS 606 HE3 LYS 606 -10.203 6.379 7.523 847 HZ1 LYS 606 HZ1 LYS 606 -11.014 6.848 5.358 848 HZ2 LYS 606 HZ2 LYS 606 -11.391 8.445 5.758 849 HZ3 LYS 606 HZ3 LYS 606 -12.278 7.176 6.433 850 H ASN 607 HN ASN 607 -9.656 5.259 12.855 851 HA ASN 607 HA ASN 607 -7.818 3.210 13.278 852 HB2 ASN 607 HB2 ASN 607 -9.663 3.643 14.809 853 HB3 ASN 607 HB3 ASN 607 -10.830 3.196 13.569 854 HD21 ASN 607 HD21 ASN 607 -11.709 1.593 14.881 855 HD22 ASN 607 HD22 ASN 607 -10.883 0.105 15.188 856 H VAL 608 HN VAL 608 -7.180 1.587 12.064 857 HA VAL 608 HA VAL 608 -8.333 1.194 9.468 858 HB VAL 608 HB VAL 608 -6.030 -0.190 10.852 859 HG11 VAL 608 HG11 VAL 608 -5.408 -0.963 8.578 860 HG12 VAL 608 HG12 VAL 608 -6.974 -0.388 8.006 861 HG13 VAL 608 HG13 VAL 608 -6.894 -1.687 9.192 862 HG21 VAL 608 HG21 VAL 608 -5.622 2.163 10.440 863 HG22 VAL 608 HG22 VAL 608 -6.109 1.979 8.754 864 HG23 VAL 608 HG23 VAL 608 -4.650 1.181 9.345 865 H ALA 609 HN ALA 609 -8.607 -0.351 12.562 866 HA ALA 609 HA ALA 609 -9.549 -2.871 11.767 867 HB1 ALA 609 HB1 ALA 609 -8.965 -2.322 14.081 868 HB2 ALA 609 HB2 ALA 609 -10.582 -3.013 13.963 869 HB3 ALA 609 HB3 ALA 609 -10.380 -1.275 14.186 870 H ALA 610 HN ALA 610 -11.148 0.240 11.958 871 HA ALA 610 HA ALA 610 -13.799 -0.634 11.546 872 HB1 ALA 610 HB1 ALA 610 -14.250 1.667 10.857 873 HB2 ALA 610 HB2 ALA 610 -12.519 1.980 10.741 874 HB3 ALA 610 HB3 ALA 610 -13.249 1.630 12.308 875 H ILE 611 HN ILE 611 -11.089 -0.136 9.448 876 HA ILE 611 HA ILE 611 -12.519 -0.159 6.985 877 HB ILE 611 HB ILE 611 -9.592 -0.720 7.552 878 HG12 ILE 611 HG12 ILE 611 -10.986 1.788 6.588 879 HG13 ILE 611 HG13 ILE 611 -10.410 1.526 8.229 880 HG21 ILE 611 HG21 ILE 611 -10.342 -1.641 5.392 881 HG22 ILE 611 HG22 ILE 611 -9.217 -0.298 5.196 882 HG23 ILE 611 HG23 ILE 611 -10.943 -0.046 4.939 883 HD11 ILE 611 HD11 ILE 611 -8.853 2.895 7.032 884 HD12 ILE 611 HD12 ILE 611 -8.738 1.703 5.740 885 HD13 ILE 611 HD13 ILE 611 -8.113 1.324 7.344 886 H ILE 612 HN ILE 612 -11.050 -2.622 9.046 887 HA ILE 612 HA ILE 612 -11.372 -4.853 7.397 888 HB ILE 612 HB ILE 612 -11.783 -4.742 10.396 889 HG12 ILE 612 HG12 ILE 612 -9.273 -5.373 8.829 890 HG13 ILE 612 HG13 ILE 612 -9.585 -3.843 9.644 891 HG21 ILE 612 HG21 ILE 612 -11.148 -7.128 10.321 892 HG22 ILE 612 HG22 ILE 612 -11.151 -7.049 8.557 893 HG23 ILE 612 HG23 ILE 612 -12.648 -6.792 9.454 894 HD11 ILE 612 HD11 ILE 612 -9.668 -5.015 11.788 895 HD12 ILE 612 HD12 ILE 612 -8.126 -5.249 10.963 896 HD13 ILE 612 HD13 ILE 612 -9.332 -6.536 10.960 897 H GLN 613 HN GLN 613 -13.627 -3.285 9.626 898 HA GLN 613 HA GLN 613 -15.822 -5.015 9.216 899 HB2 GLN 613 HB2 GLN 613 -15.890 -2.064 9.880 900 HB3 GLN 613 HB3 GLN 613 -17.180 -3.224 10.160 901 HG2 GLN 613 HG2 GLN 613 -14.487 -3.190 11.502 902 HG3 GLN 613 HG3 GLN 613 -16.024 -2.711 12.219 903 HE21 GLN 613 HE21 GLN 613 -17.510 -4.293 12.783 904 HE22 GLN 613 HE22 GLN 613 -17.075 -5.951 12.928 905 H ASP 614 HN ASP 614 -14.507 -2.381 7.455 906 HA ASP 614 HA ASP 614 -16.765 -1.795 5.801 907 HB2 ASP 614 HB2 ASP 614 -14.808 -0.248 6.288 908 HB3 ASP 614 HB3 ASP 614 -13.876 -1.211 5.147 909 H ILE 615 HN ILE 615 -13.775 -3.650 5.315 910 HA ILE 615 HA ILE 615 -14.224 -4.438 2.664 911 HB ILE 615 HB ILE 615 -12.771 -5.932 4.855 912 HG12 ILE 615 HG12 ILE 615 -11.678 -4.095 2.720 913 HG13 ILE 615 HG13 ILE 615 -11.968 -3.614 4.389 914 HG21 ILE 615 HG21 ILE 615 -11.592 -7.071 3.042 915 HG22 ILE 615 HG22 ILE 615 -12.589 -6.230 1.856 916 HG23 ILE 615 HG23 ILE 615 -13.325 -7.382 2.969 917 HD11 ILE 615 HD11 ILE 615 -10.026 -5.673 3.400 918 HD12 ILE 615 HD12 ILE 615 -10.389 -5.385 5.099 919 HD13 ILE 615 HD13 ILE 615 -9.660 -4.109 4.126 920 H HIS 616 HN HIS 616 -15.021 -6.020 5.718 921 HA HIS 616 HA HIS 616 -16.101 -8.362 4.592 922 HB2 HIS 616 HB2 HIS 616 -16.503 -7.079 7.292 923 HB3 HIS 616 HB3 HIS 616 -17.189 -8.641 6.860 924 HD1 HIS 616 HD1 HIS 616 -15.531 -9.152 9.065 925 HD2 HIS 616 HD2 HIS 616 -13.771 -8.563 5.345 926 HE1 HIS 616 HE1 HIS 616 -13.232 -10.156 9.234 927 HE2 HIS 616 HE2 HIS 616 -12.144 -9.669 7.012 928 H SER 617 HN SER 617 -17.603 -5.280 5.443 929 HA SER 617 HA SER 617 -20.246 -6.262 5.028 930 HB2 SER 617 HB2 SER 617 -20.859 -3.809 5.148 931 HB3 SER 617 HB3 SER 617 -20.042 -4.465 6.563 932 HG SER 617 HG SER 617 -18.242 -3.379 6.065 933 H GLN 618 HN GLN 618 -17.884 -4.515 3.118 934 HA GLN 618 HA GLN 618 -17.600 -4.298 0.888 935 HB2 GLN 618 HB2 GLN 618 -19.896 -6.248 0.662 936 HB3 GLN 618 HB3 GLN 618 -18.872 -5.733 -0.670 937 HG2 GLN 618 HG2 GLN 618 -16.930 -6.707 0.468 938 HG3 GLN 618 HG3 GLN 618 -17.986 -7.256 1.769 939 HE21 GLN 618 HE21 GLN 618 -17.522 -9.407 1.427 940 HE22 GLN 618 HE22 GLN 618 -18.111 -10.280 0.055 941 H ARG 619 HN ARG 619 -21.104 -4.779 0.727 942 HA ARG 619 HA ARG 619 -21.272 -2.276 -0.765 943 HB2 ARG 619 HB2 ARG 619 -23.280 -4.507 -0.405 944 HB3 ARG 619 HB3 ARG 619 -23.506 -3.099 -1.434 945 HG2 ARG 619 HG2 ARG 619 -21.650 -3.778 -2.829 946 HG3 ARG 619 HG3 ARG 619 -21.320 -5.143 -1.763 947 HD2 ARG 619 HD2 ARG 619 -23.536 -6.062 -2.285 948 HD3 ARG 619 HD3 ARG 619 -23.829 -4.711 -3.378 949 HE ARG 619 HE ARG 619 -21.533 -5.741 -4.331 950 HH11 ARG 619 HH11 ARG 619 -24.607 -7.212 -3.520 951 HH12 ARG 619 HH12 ARG 619 -24.464 -8.466 -4.711 952 HH21 ARG 619 HH21 ARG 619 -21.335 -7.390 -5.878 953 HH22 ARG 619 HH22 ARG 619 -22.599 -8.563 -6.059 954 H GLU 620 HN GLU 620 -20.912 -2.188 2.051 955 HA GLU 620 HA GLU 620 -23.457 -0.980 2.913 956 HB2 GLU 620 HB2 GLU 620 -22.532 -2.974 4.214 957 HB3 GLU 620 HB3 GLU 620 -21.214 -1.921 4.701 958 HG2 GLU 620 HG2 GLU 620 -22.745 -0.457 5.844 959 HG3 GLU 620 HG3 GLU 620 -24.123 -1.394 5.261 960 H ARG 621 HN ARG 621 -22.471 0.712 1.446 961 HA ARG 621 HA ARG 621 -20.113 2.073 2.376 962 HB2 ARG 621 HB2 ARG 621 -20.601 1.762 -0.026 963 HB3 ARG 621 HB3 ARG 621 -22.030 2.767 0.145 964 HG2 ARG 621 HG2 ARG 621 -20.071 3.915 -0.854 965 HG3 ARG 621 HG3 ARG 621 -20.711 4.699 0.590 966 HD2 ARG 621 HD2 ARG 621 -18.211 4.553 0.473 967 HD3 ARG 621 HD3 ARG 621 -18.935 3.872 1.926 968 HE ARG 621 HE ARG 621 -18.279 2.069 -0.290 969 HH11 ARG 621 HH11 ARG 621 -17.602 3.269 2.921 970 HH12 ARG 621 HH12 ARG 621 -16.633 1.895 3.375 971 HH21 ARG 621 HH21 ARG 621 -16.976 0.272 0.285 972 HH22 ARG 621 HH22 ARG 621 -16.271 0.199 1.877 Start of MODEL 11 1 HO5' ADN 1 H5T ADE 1 13.590 2.027 -7.212 2 H5'1 ADN 1 H5' ADE 1 12.269 -0.032 -7.825 3 H5'2 ADN 1 H5'' ADE 1 13.907 0.302 -8.406 4 H4' ADN 1 H4' ADE 1 12.904 1.502 -10.339 5 H3' ADN 1 H3' ADE 1 10.484 1.550 -9.158 6 H2' ADN 1 H2' ADE 1 10.135 -0.847 -9.089 7 HO2' ADN 1 HO2' ADE 1 9.255 0.087 -11.640 8 H1' ADN 1 H1' ADE 1 11.309 -0.994 -11.925 9 H8 ADN 1 H8 ADE 1 12.561 -2.766 -8.820 10 HN61 ADN 1 H61 ADE 1 11.356 -7.300 -10.089 11 HN62 ADN 1 H62 ADE 1 10.425 -7.966 -11.412 12 H2 ADN 1 H2 ADE 1 9.072 -4.499 -13.915 13 H5' U 2 H5' URI 2 9.406 5.840 -12.311 14 H5'' U 2 H5'' URI 2 10.563 5.875 -10.966 15 H4' U 2 H4' URI 2 8.537 7.059 -10.400 16 H3' U 2 H3' URI 2 9.722 5.436 -8.636 17 H2' U 2 H2' URI 2 8.485 3.424 -9.155 18 HO2' U 2 HO2' URI 2 7.073 4.934 -7.202 19 H1' U 2 H1' URI 2 5.926 5.109 -9.308 20 H3 U 2 H3 URI 2 3.302 2.194 -11.386 21 H5 U 2 H5 URI 2 7.094 0.443 -11.799 22 H6 U 2 H6 URI 2 8.023 2.378 -10.711 23 H5' C 3 H5' CYT 3 6.970 8.604 -6.167 24 H5'' C 3 H5'' CYT 3 8.070 9.643 -5.242 25 H4' C 3 H4' CYT 3 6.506 8.207 -3.912 26 H3' C 3 H3' CYT 3 8.948 9.044 -3.134 27 H2' C 3 H2' CYT 3 10.172 7.084 -3.854 28 HO2' C 3 HO2' CYT 3 9.153 6.560 -1.241 29 H1' C 3 H1' CYT 3 7.833 5.391 -2.802 30 H41 C 3 H41 CYT 3 11.402 1.683 -6.973 31 H42 C 3 H42 CYT 3 11.026 0.690 -5.583 32 H5 C 3 H5 CYT 3 10.729 4.003 -7.154 33 H6 C 3 H6 CYT 3 9.588 5.841 -6.029 34 H5' U 4 H5' URI 4 6.408 11.160 -1.059 35 H5'' U 4 H5'' URI 4 7.578 11.546 0.217 36 H4' U 4 H4' URI 4 4.709 11.597 0.280 37 H3' U 4 H3' URI 4 6.513 13.253 1.320 38 H2' U 4 H2' URI 4 7.519 11.666 2.863 39 HO2' U 4 HO2' URI 4 5.665 13.386 3.944 40 H1' U 4 H1' URI 4 4.693 10.762 3.653 41 H3 U 4 H3 URI 4 7.274 8.487 6.696 42 H5 U 4 H5 URI 4 8.026 6.701 2.974 43 H6 U 4 H6 URI 4 6.797 8.501 1.951 44 H5' U 5 H5' URI 5 1.948 13.316 -1.549 45 H5'' U 5 H5'' URI 5 1.823 14.701 -0.450 46 H4' U 5 H4' URI 5 0.035 12.621 -0.746 47 H3' U 5 H3' URI 5 -0.112 15.062 0.464 48 H2' U 5 H2' URI 5 0.770 14.385 2.603 49 HO2' U 5 HO2' URI 5 -1.978 13.603 2.582 50 H1' U 5 H1' URI 5 -0.711 11.717 2.201 51 H3 U 5 H3 URI 5 0.711 9.754 5.896 52 H5 U 5 H5 URI 5 3.839 12.432 5.065 53 H6 U 5 H6 URI 5 2.604 13.154 3.129 54 H5' A 6 H5' ADE 6 -1.787 15.938 2.594 55 H5'' A 6 H5'' ADE 6 -3.309 16.689 2.076 56 H4' A 6 H4' ADE 6 -1.959 18.300 3.220 57 H3' A 6 H3' ADE 6 -3.134 18.921 0.864 58 HO3' A 6 H3T ADE 6 -3.094 20.279 2.573 59 H2' A 6 H2' ADE 6 -1.178 18.497 -0.515 60 HO2' A 6 HO2' ADE 6 -0.397 21.079 0.267 61 H1' A 6 H1' ADE 6 0.427 19.880 1.721 62 H8 A 6 H8 ADE 6 0.774 18.878 -1.686 63 H61 A 6 H61 ADE 6 5.413 17.460 -1.762 64 H62 A 6 H62 ADE 6 6.556 17.017 -0.513 65 H2 A 6 H2 ADE 6 4.409 17.440 3.404 66 H1 GLY 510 HT1 GLY 510 13.959 -17.828 -3.319 67 H2 GLY 510 HT2 GLY 510 14.956 -16.905 -4.321 68 H3 GLY 510 HT3 GLY 510 13.499 -16.262 -3.755 69 HA2 GLY 510 HA3 GLY 510 14.329 -16.341 -1.478 70 HA3 GLY 510 HA2 GLY 510 15.855 -16.961 -2.096 71 H ALA 511 HN ALA 511 14.687 -14.324 -0.810 72 HA ALA 511 HA ALA 511 15.682 -12.404 -2.768 73 HB1 ALA 511 HB1 ALA 511 14.759 -10.704 -1.307 74 HB2 ALA 511 HB2 ALA 511 14.412 -11.918 -0.076 75 HB3 ALA 511 HB3 ALA 511 13.553 -11.953 -1.616 76 H MET 512 HN MET 512 17.823 -12.150 -2.778 77 HA MET 512 HA MET 512 19.419 -12.416 -0.396 78 HB2 MET 512 HB2 MET 512 20.281 -13.027 -2.643 79 HB3 MET 512 HB3 MET 512 20.182 -11.338 -3.119 80 HG2 MET 512 HG2 MET 512 22.459 -12.020 -2.522 81 HG3 MET 512 HG3 MET 512 21.845 -10.730 -1.488 82 HE1 MET 512 HE1 MET 512 22.464 -14.597 -1.778 83 HE2 MET 512 HE2 MET 512 20.792 -14.530 -1.222 84 HE3 MET 512 HE3 MET 512 22.052 -15.151 -0.157 85 H ALA 513 HN ALA 513 18.318 -9.796 -2.478 86 HA ALA 513 HA ALA 513 19.127 -7.839 -0.448 87 HB1 ALA 513 HB1 ALA 513 18.107 -7.438 -3.263 88 HB2 ALA 513 HB2 ALA 513 19.784 -7.310 -2.732 89 HB3 ALA 513 HB3 ALA 513 18.586 -6.150 -2.158 90 H GLN 514 HN GLN 514 17.434 -6.027 -0.158 91 HA GLN 514 HA GLN 514 15.452 -5.398 0.738 92 HB2 GLN 514 HB2 GLN 514 14.319 -7.508 -1.100 93 HB3 GLN 514 HB3 GLN 514 13.366 -6.341 -0.196 94 HG2 GLN 514 HG2 GLN 514 15.455 -5.574 -2.218 95 HG3 GLN 514 HG3 GLN 514 13.744 -5.773 -2.598 96 HE21 GLN 514 HE21 GLN 514 12.277 -4.271 -1.872 97 HE22 GLN 514 HE22 GLN 514 12.745 -2.738 -1.233 98 H ARG 515 HN ARG 515 15.488 -5.870 2.802 99 HA ARG 515 HA ARG 515 15.328 -8.625 3.722 100 HB2 ARG 515 HB2 ARG 515 15.760 -6.043 5.240 101 HB3 ARG 515 HB3 ARG 515 15.803 -7.651 5.953 102 HG2 ARG 515 HG2 ARG 515 17.724 -8.239 4.630 103 HG3 ARG 515 HG3 ARG 515 17.644 -6.699 3.771 104 HD2 ARG 515 HD2 ARG 515 18.074 -5.513 5.866 105 HD3 ARG 515 HD3 ARG 515 18.145 -7.050 6.726 106 HE ARG 515 HE ARG 515 20.033 -7.447 4.926 107 HH11 ARG 515 HH11 ARG 515 19.394 -4.597 6.852 108 HH12 ARG 515 HH12 ARG 515 21.047 -4.078 6.867 109 HH21 ARG 515 HH21 ARG 515 22.214 -6.775 4.944 110 HH22 ARG 515 HH22 ARG 515 22.657 -5.331 5.800 111 H LYS 516 HN LYS 516 13.786 -5.582 4.752 112 HA LYS 516 HA LYS 516 11.681 -5.085 5.433 113 HB2 LYS 516 HB2 LYS 516 10.980 -7.317 3.517 114 HB3 LYS 516 HB3 LYS 516 9.833 -6.160 4.182 115 HG2 LYS 516 HG2 LYS 516 12.233 -5.337 2.566 116 HG3 LYS 516 HG3 LYS 516 10.664 -5.700 1.844 117 HD2 LYS 516 HD2 LYS 516 9.619 -3.914 3.024 118 HD3 LYS 516 HD3 LYS 516 11.045 -3.660 4.027 119 HE2 LYS 516 HE2 LYS 516 11.063 -3.320 1.037 120 HE3 LYS 516 HE3 LYS 516 10.680 -2.004 2.144 121 HZ1 LYS 516 HZ1 LYS 516 13.230 -3.532 2.097 122 HZ2 LYS 516 HZ2 LYS 516 12.864 -2.264 3.149 123 HZ3 LYS 516 HZ3 LYS 516 13.006 -1.969 1.490 124 H GLY 517 HN GLY 517 12.967 -6.546 7.284 125 HA2 GLY 517 HA2 GLY 517 10.927 -8.446 8.252 126 HA3 GLY 517 HA3 GLY 517 12.610 -8.429 8.771 127 H ALA 518 HN ALA 518 13.341 -6.650 10.069 128 HA ALA 518 HA ALA 518 11.275 -5.537 11.786 129 HB1 ALA 518 HB1 ALA 518 13.323 -6.435 12.806 130 HB2 ALA 518 HB2 ALA 518 13.125 -4.717 13.150 131 HB3 ALA 518 HB3 ALA 518 14.277 -5.243 11.924 132 H GLY 519 HN GLY 519 10.226 -4.013 10.602 133 HA2 GLY 519 HA2 GLY 519 10.149 -1.694 9.929 134 HA3 GLY 519 HA3 GLY 519 11.850 -1.819 9.476 135 H ARG 520 HN ARG 520 8.582 -2.271 8.435 136 HA ARG 520 HA ARG 520 9.646 -3.287 5.878 137 HB2 ARG 520 HB2 ARG 520 6.916 -3.774 7.080 138 HB3 ARG 520 HB3 ARG 520 7.474 -4.377 5.526 139 HG2 ARG 520 HG2 ARG 520 9.042 -5.822 6.543 140 HG3 ARG 520 HG3 ARG 520 8.827 -5.056 8.118 141 HD2 ARG 520 HD2 ARG 520 6.738 -6.627 6.616 142 HD3 ARG 520 HD3 ARG 520 7.671 -7.208 7.995 143 HE ARG 520 HE ARG 520 5.564 -5.159 8.051 144 HH11 ARG 520 HH11 ARG 520 7.787 -7.265 9.770 145 HH12 ARG 520 HH12 ARG 520 7.038 -6.997 11.313 146 HH21 ARG 520 HH21 ARG 520 4.594 -4.801 10.078 147 HH22 ARG 520 HH22 ARG 520 5.221 -5.595 11.490 148 H VAL 521 HN VAL 521 9.315 -2.093 4.171 149 HA VAL 521 HA VAL 521 7.086 -0.181 4.180 150 HB VAL 521 HB VAL 521 9.676 0.093 2.660 151 HG11 VAL 521 HG11 VAL 521 7.201 1.785 2.669 152 HG12 VAL 521 HG12 VAL 521 7.883 0.908 1.304 153 HG13 VAL 521 HG13 VAL 521 8.744 2.290 1.987 154 HG21 VAL 521 HG21 VAL 521 9.997 2.085 4.030 155 HG22 VAL 521 HG22 VAL 521 9.893 0.630 5.021 156 HG23 VAL 521 HG23 VAL 521 8.512 1.717 4.905 157 H VAL 522 HN VAL 522 5.507 -0.660 2.838 158 HA VAL 522 HA VAL 522 6.165 -2.162 0.392 159 HB VAL 522 HB VAL 522 3.510 -2.236 1.838 160 HG11 VAL 522 HG11 VAL 522 3.063 -4.155 0.367 161 HG12 VAL 522 HG12 VAL 522 4.609 -3.879 -0.437 162 HG13 VAL 522 HG13 VAL 522 3.333 -2.663 -0.536 163 HG21 VAL 522 HG21 VAL 522 5.196 -3.298 3.229 164 HG22 VAL 522 HG22 VAL 522 5.724 -4.283 1.864 165 HG23 VAL 522 HG23 VAL 522 4.111 -4.507 2.543 166 H HIS 523 HN HIS 523 5.806 -0.966 -1.424 167 HA HIS 523 HA HIS 523 4.296 1.523 -1.089 168 HB2 HIS 523 HB2 HIS 523 6.609 1.863 -1.675 169 HB3 HIS 523 HB3 HIS 523 6.517 0.675 -2.965 170 HD1 HIS 523 HD1 HIS 523 5.770 1.473 -5.229 171 HD2 HIS 523 HD2 HIS 523 5.357 4.372 -2.282 172 HE1 HIS 523 HE1 HIS 523 5.316 3.615 -6.454 173 HE2 HIS 523 HE2 HIS 523 5.315 5.384 -4.668 174 H ILE 524 HN ILE 524 2.523 1.846 -2.239 175 HA ILE 524 HA ILE 524 1.806 -0.109 -4.319 176 HB ILE 524 HB ILE 524 -0.026 1.645 -2.664 177 HG12 ILE 524 HG12 ILE 524 0.616 -1.303 -2.454 178 HG13 ILE 524 HG13 ILE 524 1.011 -0.059 -1.276 179 HG21 ILE 524 HG21 ILE 524 -1.811 0.177 -3.598 180 HG22 ILE 524 HG22 ILE 524 -0.606 -0.518 -4.683 181 HG23 ILE 524 HG23 ILE 524 -1.014 1.193 -4.800 182 HD11 ILE 524 HD11 ILE 524 -1.766 -0.927 -2.029 183 HD12 ILE 524 HD12 ILE 524 -1.340 0.274 -0.809 184 HD13 ILE 524 HD13 ILE 524 -0.885 -1.417 -0.581 185 H CYS 525 HN CYS 525 1.195 0.691 -6.316 186 HA CYS 525 HA CYS 525 1.283 3.595 -6.641 187 HB2 CYS 525 HB2 CYS 525 2.757 3.186 -8.697 188 HB3 CYS 525 HB3 CYS 525 3.521 3.092 -7.116 189 HG CYS 525 HG CYS 525 2.677 0.085 -7.536 190 H ASN 526 HN ASN 526 0.573 4.319 -8.710 191 HA ASN 526 HA ASN 526 -0.566 4.287 -10.687 192 HB2 ASN 526 HB2 ASN 526 -0.930 1.328 -10.182 193 HB3 ASN 526 HB3 ASN 526 -1.565 2.173 -11.588 194 HD21 ASN 526 HD21 ASN 526 0.345 0.003 -11.477 195 HD22 ASN 526 HD22 ASN 526 1.781 0.582 -12.249 196 H LEU 527 HN LEU 527 -1.519 4.751 -7.995 197 HA LEU 527 HA LEU 527 -4.326 4.010 -8.014 198 HB2 LEU 527 HB2 LEU 527 -2.704 5.838 -6.230 199 HB3 LEU 527 HB1 LEU 527 -4.415 5.535 -6.013 200 HG LEU 527 HG LEU 527 -2.314 3.369 -5.888 201 HD11 LEU 527 HD11 LEU 527 -1.924 4.994 -4.113 202 HD12 LEU 527 HD12 LEU 527 -2.581 3.495 -3.455 203 HD13 LEU 527 HD13 LEU 527 -3.621 4.906 -3.645 204 HD21 LEU 527 HD21 LEU 527 -4.072 2.081 -4.837 205 HD22 LEU 527 HD22 LEU 527 -4.611 2.653 -6.416 206 HD23 LEU 527 HD23 LEU 527 -5.176 3.450 -4.950 207 HA PRO 528 HA PRO 528 -5.106 7.577 -10.573 208 HB2 PRO 528 HB2 PRO 528 -7.816 7.371 -10.664 209 HB3 PRO 528 HB1 PRO 528 -6.727 6.394 -11.650 210 HG2 PRO 528 HG2 PRO 528 -8.249 5.658 -9.214 211 HG3 PRO 528 HG3 PRO 528 -7.790 4.660 -10.599 212 HD2 PRO 528 HD2 PRO 528 -6.535 4.654 -8.125 213 HD3 PRO 528 HD3 PRO 528 -5.827 4.049 -9.634 214 H GLU 529 HN GLU 529 -5.292 9.637 -10.066 215 HA GLU 529 HA GLU 529 -6.050 10.575 -7.517 216 HB2 GLU 529 HB2 GLU 529 -4.488 11.838 -8.819 217 HB3 GLU 529 HB3 GLU 529 -5.621 11.953 -10.160 218 HG2 GLU 529 HG2 GLU 529 -5.521 14.072 -9.079 219 HG3 GLU 529 HG3 GLU 529 -7.089 13.352 -8.734 220 H GLY 530 HN GLY 530 -7.930 11.574 -6.821 221 HA2 GLY 530 HA2 GLY 530 -10.192 12.172 -6.950 222 HA3 GLY 530 HA3 GLY 530 -10.231 11.580 -8.609 223 H SER 531 HN SER 531 -8.659 9.404 -6.638 224 HA SER 531 HA SER 531 -10.959 7.882 -5.860 225 HB2 SER 531 HB2 SER 531 -10.897 7.430 -8.276 226 HB3 SER 531 HB3 SER 531 -9.213 6.922 -8.140 227 HG SER 531 HG SER 531 -10.194 5.382 -6.482 228 H CYS 532 HN CYS 532 -8.035 8.934 -5.214 229 HA CYS 532 HA CYS 532 -6.852 6.452 -4.240 230 HB2 CYS 532 HB2 CYS 532 -5.873 9.313 -4.041 231 HB3 CYS 532 HB3 CYS 532 -4.977 7.905 -3.489 232 HG CYS 532 HG CYS 532 -5.919 7.960 -6.734 233 H THR 533 HN THR 533 -8.548 5.954 -2.703 234 HA THR 533 HA THR 533 -8.681 7.881 -0.478 235 HB THR 533 HB THR 533 -10.745 6.893 0.222 236 HG1 THR 533 HG1 THR 533 -10.688 5.012 -1.910 237 HG21 THR 533 HG21 THR 533 -10.772 7.158 -2.786 238 HG22 THR 533 HG22 THR 533 -10.953 8.474 -1.626 239 HG23 THR 533 HG23 THR 533 -12.187 7.219 -1.736 240 H GLU 534 HN GLU 534 -8.522 7.074 1.666 241 HA GLU 534 HA GLU 534 -6.442 5.222 2.012 242 HB2 GLU 534 HB2 GLU 534 -8.386 6.306 4.046 243 HB3 GLU 534 HB3 GLU 534 -6.921 5.420 4.427 244 HG2 GLU 534 HG2 GLU 534 -6.401 7.707 4.724 245 HG3 GLU 534 HG3 GLU 534 -5.627 7.228 3.204 246 H ASN 535 HN ASN 535 -9.866 4.948 1.969 247 HA ASN 535 HA ASN 535 -10.146 2.474 3.293 248 HB2 ASN 535 HB2 ASN 535 -12.018 4.061 2.796 249 HB3 ASN 535 HB3 ASN 535 -11.912 3.588 1.104 250 HD21 ASN 535 HD21 ASN 535 -13.842 2.611 0.875 251 HD22 ASN 535 HD22 ASN 535 -14.324 1.196 1.741 252 H ASP 536 HN ASP 536 -9.706 3.253 -0.195 253 HA ASP 536 HA ASP 536 -10.265 0.570 -1.026 254 HB2 ASP 536 HB2 ASP 536 -8.819 2.758 -2.542 255 HB3 ASP 536 HB3 ASP 536 -9.470 1.280 -3.237 256 H VAL 537 HN VAL 537 -7.392 2.468 -0.618 257 HA VAL 537 HA VAL 537 -5.485 0.641 -1.587 258 HB VAL 537 HB VAL 537 -5.039 2.722 0.571 259 HG11 VAL 537 HG11 VAL 537 -3.139 1.573 -1.466 260 HG12 VAL 537 HG12 VAL 537 -3.164 1.170 0.253 261 HG13 VAL 537 HG13 VAL 537 -2.759 2.809 -0.268 262 HG21 VAL 537 HG21 VAL 537 -6.165 3.714 -1.343 263 HG22 VAL 537 HG22 VAL 537 -4.961 3.020 -2.429 264 HG23 VAL 537 HG23 VAL 537 -4.487 4.252 -1.261 265 H ILE 538 HN ILE 538 -6.576 1.291 1.711 266 HA ILE 538 HA ILE 538 -5.105 -0.829 2.876 267 HB ILE 538 HB ILE 538 -7.437 0.757 3.927 268 HG12 ILE 538 HG12 ILE 538 -4.471 0.814 4.508 269 HG13 ILE 538 HG13 ILE 538 -5.372 2.023 3.599 270 HG21 ILE 538 HG21 ILE 538 -5.743 -1.348 5.253 271 HG22 ILE 538 HG22 ILE 538 -7.494 -1.352 5.042 272 HG23 ILE 538 HG23 ILE 538 -6.741 -0.194 6.136 273 HD11 ILE 538 HD11 ILE 538 -5.907 1.344 6.477 274 HD12 ILE 538 HD12 ILE 538 -6.571 2.689 5.542 275 HD13 ILE 538 HD13 ILE 538 -4.853 2.654 5.940 276 H ASN 539 HN ASN 539 -8.396 -0.623 1.545 277 HA ASN 539 HA ASN 539 -9.338 -3.067 2.501 278 HB2 ASN 539 HB2 ASN 539 -9.984 -1.712 -0.122 279 HB3 ASN 539 HB3 ASN 539 -10.776 -3.179 0.432 280 HD21 ASN 539 HD21 ASN 539 -10.630 -2.081 3.255 281 HD22 ASN 539 HD22 ASN 539 -11.926 -0.954 3.326 282 H LEU 540 HN LEU 540 -7.076 -2.386 -0.066 283 HA LEU 540 HA LEU 540 -7.033 -5.081 -1.043 284 HB2 LEU 540 HB2 LEU 540 -4.949 -2.899 -1.190 285 HB3 LEU 540 HB1 LEU 540 -4.909 -4.396 -2.099 286 HG LEU 540 HG LEU 540 -6.954 -2.199 -2.391 287 HD11 LEU 540 HD11 LEU 540 -4.766 -1.615 -3.277 288 HD12 LEU 540 HD12 LEU 540 -5.930 -1.870 -4.576 289 HD13 LEU 540 HD13 LEU 540 -4.732 -3.112 -4.209 290 HD21 LEU 540 HD21 LEU 540 -7.973 -4.359 -2.804 291 HD22 LEU 540 HD22 LEU 540 -6.649 -4.804 -3.879 292 HD23 LEU 540 HD23 LEU 540 -7.746 -3.498 -4.326 293 H GLY 541 HN GLY 541 -5.085 -3.166 1.230 294 HA2 GLY 541 HA2 GLY 541 -3.215 -5.118 1.897 295 HA3 GLY 541 HA3 GLY 541 -3.685 -3.768 2.921 296 H LEU 542 HN LEU 542 -6.245 -4.398 3.630 297 HA LEU 542 HA LEU 542 -5.623 -5.866 5.898 298 HB2 LEU 542 HB2 LEU 542 -8.249 -5.026 4.745 299 HB3 LEU 542 HB1 LEU 542 -8.141 -5.891 6.266 300 HG LEU 542 HG LEU 542 -6.723 -3.285 5.733 301 HD11 LEU 542 HD11 LEU 542 -8.485 -2.254 7.097 302 HD12 LEU 542 HD12 LEU 542 -9.355 -3.787 7.108 303 HD13 LEU 542 HD13 LEU 542 -9.114 -2.925 5.591 304 HD21 LEU 542 HD21 LEU 542 -6.501 -3.237 8.164 305 HD22 LEU 542 HD22 LEU 542 -5.741 -4.673 7.483 306 HD23 LEU 542 HD23 LEU 542 -7.309 -4.799 8.274 307 HA PRO 543 HA PRO 543 -8.281 -9.586 4.179 308 HB2 PRO 543 HB2 PRO 543 -7.514 -9.379 1.310 309 HB3 PRO 543 HB1 PRO 543 -9.048 -9.883 2.034 310 HG2 PRO 543 HG2 PRO 543 -8.857 -7.499 0.928 311 HG3 PRO 543 HG3 PRO 543 -9.697 -7.681 2.484 312 HD2 PRO 543 HD2 PRO 543 -6.906 -6.708 1.947 313 HD3 PRO 543 HD3 PRO 543 -8.145 -6.026 3.022 314 H PHE 544 HN PHE 544 -5.122 -8.648 2.834 315 HA PHE 544 HA PHE 544 -4.275 -11.443 2.989 316 HB2 PHE 544 HB2 PHE 544 -2.836 -9.036 1.873 317 HB3 PHE 544 HB3 PHE 544 -2.262 -10.694 1.794 318 HD1 PHE 544 HD1 PHE 544 -3.483 -12.334 0.376 319 HD2 PHE 544 HD2 PHE 544 -4.374 -8.176 0.345 320 HE1 PHE 544 HE1 PHE 544 -4.641 -12.601 -1.779 321 HE2 PHE 544 HE2 PHE 544 -5.539 -8.434 -1.803 322 HZ PHE 544 HZ PHE 544 -5.670 -10.650 -2.871 323 H GLY 545 HN GLY 545 -4.319 -8.727 4.932 324 HA2 GLY 545 HA2 GLY 545 -2.894 -9.805 7.027 325 HA3 GLY 545 HA3 GLY 545 -1.711 -8.907 6.087 326 H LYS 546 HN LYS 546 -2.641 -8.399 8.802 327 HA LYS 546 HA LYS 546 -4.492 -6.274 8.844 328 HB2 LYS 546 HB2 LYS 546 -3.873 -7.650 10.820 329 HB3 LYS 546 HB3 LYS 546 -2.302 -6.859 10.842 330 HG2 LYS 546 HG2 LYS 546 -3.497 -4.679 11.118 331 HG3 LYS 546 HG3 LYS 546 -4.990 -5.596 11.313 332 HD2 LYS 546 HD2 LYS 546 -4.141 -5.073 13.490 333 HD3 LYS 546 HD3 LYS 546 -3.923 -6.803 13.214 334 HE2 LYS 546 HE2 LYS 546 -1.588 -6.458 12.683 335 HE3 LYS 546 HE3 LYS 546 -1.784 -4.712 12.821 336 HZ1 LYS 546 HZ1 LYS 546 -2.284 -4.975 15.157 337 HZ2 LYS 546 HZ2 LYS 546 -0.787 -5.678 14.805 338 HZ3 LYS 546 HZ3 LYS 546 -2.146 -6.657 15.032 339 H VAL 547 HN VAL 547 -4.293 -4.212 8.390 340 HA VAL 547 HA VAL 547 -1.724 -3.106 7.621 341 HB VAL 547 HB VAL 547 -4.536 -2.004 7.494 342 HG11 VAL 547 HG11 VAL 547 -2.039 -0.781 6.327 343 HG12 VAL 547 HG12 VAL 547 -2.853 -0.207 7.781 344 HG13 VAL 547 HG13 VAL 547 -3.685 -0.146 6.228 345 HG21 VAL 547 HG21 VAL 547 -4.155 -2.250 5.038 346 HG22 VAL 547 HG22 VAL 547 -4.232 -3.766 5.931 347 HG23 VAL 547 HG23 VAL 547 -2.673 -3.124 5.416 348 H THR 548 HN THR 548 -0.479 -2.243 9.143 349 HA THR 548 HA THR 548 -1.672 -1.131 11.552 350 HB THR 548 HB THR 548 0.767 -0.940 12.252 351 HG1 THR 548 HG1 THR 548 2.214 -1.367 10.757 352 HG21 THR 548 HG21 THR 548 -0.660 -2.781 12.993 353 HG22 THR 548 HG22 THR 548 0.976 -3.355 12.672 354 HG23 THR 548 HG23 THR 548 -0.310 -3.664 11.506 355 H ASN 549 HN ASN 549 0.220 -0.132 8.793 356 HA ASN 549 HA ASN 549 -0.303 2.683 9.441 357 HB2 ASN 549 HB2 ASN 549 2.424 1.493 8.871 358 HB3 ASN 549 HB3 ASN 549 2.082 3.192 8.611 359 HD21 ASN 549 HD21 ASN 549 3.742 3.660 10.086 360 HD22 ASN 549 HD22 ASN 549 3.486 3.540 11.791 361 H TYR 550 HN TYR 550 -0.224 4.061 7.600 362 HA TYR 550 HA TYR 550 0.259 2.962 4.990 363 HB2 TYR 550 HB2 TYR 550 -2.032 3.362 4.165 364 HB3 TYR 550 HB3 TYR 550 -1.999 2.115 5.407 365 HD1 TYR 550 HD1 TYR 550 -3.707 4.899 4.283 366 HD2 TYR 550 HD2 TYR 550 -2.364 3.122 7.899 367 HE1 TYR 550 HE1 TYR 550 -5.411 6.147 5.533 368 HE2 TYR 550 HE2 TYR 550 -4.073 4.367 9.154 369 HH TYR 550 HH TYR 550 -6.656 5.921 7.664 370 H ILE 551 HN ILE 551 0.264 4.602 3.351 371 HA ILE 551 HA ILE 551 -0.042 7.377 4.240 372 HB ILE 551 HB ILE 551 2.427 6.345 2.827 373 HG12 ILE 551 HG12 ILE 551 2.236 7.303 5.694 374 HG13 ILE 551 HG13 ILE 551 2.326 5.610 5.218 375 HG21 ILE 551 HG21 ILE 551 1.875 8.626 2.249 376 HG22 ILE 551 HG22 ILE 551 3.332 8.587 3.243 377 HG23 ILE 551 HG23 ILE 551 1.791 9.064 3.955 378 HD11 ILE 551 HD11 ILE 551 4.519 5.997 4.239 379 HD12 ILE 551 HD12 ILE 551 4.485 6.451 5.943 380 HD13 ILE 551 HD13 ILE 551 4.428 7.697 4.697 381 H LEU 552 HN LEU 552 -1.181 8.414 2.567 382 HA LEU 552 HA LEU 552 -1.001 7.067 -0.033 383 HB2 LEU 552 HB2 LEU 552 -3.314 8.678 1.018 384 HB3 LEU 552 HB1 LEU 552 -3.204 7.966 -0.580 385 HG LEU 552 HG LEU 552 -3.574 6.603 2.063 386 HD11 LEU 552 HD11 LEU 552 -5.084 6.903 -0.489 387 HD12 LEU 552 HD12 LEU 552 -5.612 7.195 1.170 388 HD13 LEU 552 HD13 LEU 552 -5.393 5.544 0.586 389 HD21 LEU 552 HD21 LEU 552 -1.859 5.328 0.938 390 HD22 LEU 552 HD22 LEU 552 -2.806 5.314 -0.550 391 HD23 LEU 552 HD23 LEU 552 -3.392 4.460 0.878 392 H MET 553 HN MET 553 -0.222 8.249 -1.698 393 HA MET 553 HA MET 553 0.175 11.115 -1.127 394 HB2 MET 553 HB2 MET 553 1.799 9.311 -2.933 395 HB3 MET 553 HB3 MET 553 2.066 11.032 -2.710 396 HG2 MET 553 HG2 MET 553 2.648 10.678 -0.393 397 HG3 MET 553 HG3 MET 553 2.287 8.958 -0.543 398 HE1 MET 553 HE1 MET 553 3.475 8.283 -3.428 399 HE2 MET 553 HE2 MET 553 3.677 7.277 -1.994 400 HE3 MET 553 HE3 MET 553 5.080 7.723 -2.965 401 H LYS 554 HN LYS 554 -2.014 11.321 -1.898 402 HA LYS 554 HA LYS 554 -2.988 10.885 -4.346 403 HB2 LYS 554 HB2 LYS 554 -3.378 13.620 -3.204 404 HB3 LYS 554 HB3 LYS 554 -4.554 12.537 -3.937 405 HG2 LYS 554 HG2 LYS 554 -3.326 12.264 -1.197 406 HG3 LYS 554 HG3 LYS 554 -4.974 12.759 -1.567 407 HD2 LYS 554 HD2 LYS 554 -5.423 10.550 -2.522 408 HD3 LYS 554 HD3 LYS 554 -3.763 10.054 -2.172 409 HE2 LYS 554 HE2 LYS 554 -5.222 9.193 -0.462 410 HE3 LYS 554 HE3 LYS 554 -4.196 10.445 0.230 411 HZ1 LYS 554 HZ1 LYS 554 -7.002 10.861 -0.644 412 HZ2 LYS 554 HZ2 LYS 554 -6.018 11.987 0.152 413 HZ3 LYS 554 HZ3 LYS 554 -6.521 10.582 0.957 414 H SER 555 HN SER 555 -0.348 13.058 -3.670 415 HA SER 555 HA SER 555 -0.723 14.777 -5.906 416 HB2 SER 555 HB2 SER 555 1.585 15.525 -5.334 417 HB3 SER 555 HB3 SER 555 0.495 15.533 -3.946 418 HG SER 555 HG SER 555 2.616 14.559 -3.587 419 H THR 556 HN THR 556 1.316 11.941 -5.244 420 HA THR 556 HA THR 556 2.339 12.038 -7.978 421 HB THR 556 HB THR 556 3.912 10.259 -7.190 422 HG1 THR 556 HG1 THR 556 3.707 10.647 -4.567 423 HG21 THR 556 HG21 THR 556 3.887 12.823 -5.597 424 HG22 THR 556 HG22 THR 556 4.610 12.589 -7.189 425 HG23 THR 556 HG23 THR 556 5.273 11.750 -5.786 426 H ASN 557 HN ASN 557 -0.268 10.793 -6.567 427 HA ASN 557 HA ASN 557 -1.704 9.075 -6.928 428 HB2 ASN 557 HB2 ASN 557 -0.167 8.958 -9.529 429 HB3 ASN 557 HB3 ASN 557 -1.611 8.006 -9.209 430 HD21 ASN 557 HD21 ASN 557 -2.779 8.969 -10.838 431 HD22 ASN 557 HD22 ASN 557 -3.340 10.600 -10.752 432 H GLN 558 HN GLN 558 0.507 8.547 -5.389 433 HA GLN 558 HA GLN 558 0.871 5.668 -5.788 434 HB2 GLN 558 HB2 GLN 558 3.114 7.631 -5.243 435 HB3 GLN 558 HB3 GLN 558 3.276 5.881 -5.139 436 HG2 GLN 558 HG2 GLN 558 2.731 5.696 -7.513 437 HG3 GLN 558 HG3 GLN 558 2.571 7.450 -7.604 438 HE21 GLN 558 HE21 GLN 558 4.195 7.605 -9.145 439 HE22 GLN 558 HE22 GLN 558 5.864 7.395 -8.747 440 H ALA 559 HN ALA 559 1.739 4.654 -3.670 441 HA ALA 559 HA ALA 559 1.171 6.206 -1.311 442 HB1 ALA 559 HB1 ALA 559 -1.063 5.740 -2.011 443 HB2 ALA 559 HB2 ALA 559 -0.683 4.749 -0.594 444 HB3 ALA 559 HB3 ALA 559 -0.687 4.025 -2.209 445 H PHE 560 HN PHE 560 1.316 4.906 0.650 446 HA PHE 560 HA PHE 560 3.001 2.498 0.330 447 HB2 PHE 560 HB2 PHE 560 3.205 4.657 2.429 448 HB3 PHE 560 HB3 PHE 560 4.035 3.112 2.537 449 HD1 PHE 560 HD1 PHE 560 5.974 2.661 1.242 450 HD2 PHE 560 HD2 PHE 560 3.832 6.289 0.715 451 HE1 PHE 560 HE1 PHE 560 7.837 3.558 -0.087 452 HE2 PHE 560 HE2 PHE 560 5.690 7.201 -0.612 453 HZ PHE 560 HZ PHE 560 7.737 5.867 -0.933 454 H LEU 561 HN LEU 561 2.702 0.816 1.739 455 HA LEU 561 HA LEU 561 0.392 0.937 3.547 456 HB2 LEU 561 HB2 LEU 561 -0.311 0.065 1.335 457 HB3 LEU 561 HB1 LEU 561 0.896 -1.194 1.462 458 HG LEU 561 HG LEU 561 -0.306 -2.107 3.430 459 HD11 LEU 561 HD11 LEU 561 -2.339 0.008 2.723 460 HD12 LEU 561 HD12 LEU 561 -1.387 -0.079 4.206 461 HD13 LEU 561 HD13 LEU 561 -2.598 -1.315 3.861 462 HD21 LEU 561 HD21 LEU 561 -0.693 -2.853 1.048 463 HD22 LEU 561 HD22 LEU 561 -2.124 -1.818 1.042 464 HD23 LEU 561 HD23 LEU 561 -2.019 -3.169 2.169 465 H GLU 562 HN GLU 562 1.071 0.293 5.487 466 HA GLU 562 HA GLU 562 3.331 -1.571 5.658 467 HB2 GLU 562 HB2 GLU 562 3.327 0.569 7.013 468 HB3 GLU 562 HB3 GLU 562 2.021 -0.129 7.958 469 HG2 GLU 562 HG2 GLU 562 3.499 -2.028 8.525 470 HG3 GLU 562 HG3 GLU 562 4.812 -1.217 7.675 471 H MET 563 HN MET 563 3.147 -3.562 6.314 472 HA MET 563 HA MET 563 0.497 -4.532 7.148 473 HB2 MET 563 HB2 MET 563 2.630 -6.023 5.603 474 HB3 MET 563 HB3 MET 563 0.980 -6.556 5.914 475 HG2 MET 563 HG2 MET 563 0.067 -5.035 4.422 476 HG3 MET 563 HG3 MET 563 1.497 -4.010 4.446 477 HE1 MET 563 HE1 MET 563 1.388 -5.138 0.726 478 HE2 MET 563 HE2 MET 563 1.580 -3.767 1.820 479 HE3 MET 563 HE3 MET 563 0.061 -4.665 1.787 480 H ALA 564 HN ALA 564 0.563 -6.471 8.527 481 HA ALA 564 HA ALA 564 2.229 -5.835 10.746 482 HB1 ALA 564 HB1 ALA 564 -0.110 -6.503 11.000 483 HB2 ALA 564 HB2 ALA 564 0.973 -7.539 11.929 484 HB3 ALA 564 HB3 ALA 564 0.291 -8.114 10.408 485 H TYR 565 HN TYR 565 2.544 -8.052 8.160 486 HA TYR 565 HA TYR 565 4.936 -9.154 9.408 487 HB2 TYR 565 HB2 TYR 565 2.731 -10.880 8.261 488 HB3 TYR 565 HB3 TYR 565 4.325 -11.463 8.726 489 HD1 TYR 565 HD1 TYR 565 1.005 -10.727 9.832 490 HD2 TYR 565 HD2 TYR 565 5.008 -11.239 11.171 491 HE1 TYR 565 HE1 TYR 565 0.187 -11.078 12.122 492 HE2 TYR 565 HE2 TYR 565 4.201 -11.595 13.464 493 HH TYR 565 HH TYR 565 0.975 -12.209 14.201 494 H THR 566 HN THR 566 6.392 -10.118 7.891 495 HA THR 566 HA THR 566 6.512 -8.711 5.420 496 HB THR 566 HB THR 566 8.496 -9.575 6.800 497 HG1 THR 566 HG1 THR 566 9.372 -8.886 5.020 498 HG21 THR 566 HG21 THR 566 7.908 -12.096 5.245 499 HG22 THR 566 HG22 THR 566 7.795 -11.910 6.995 500 HG23 THR 566 HG23 THR 566 9.360 -11.781 6.195 501 H GLU 567 HN GLU 567 5.333 -11.820 6.403 502 HA GLU 567 HA GLU 567 5.106 -13.130 3.953 503 HB2 GLU 567 HB2 GLU 567 3.380 -14.483 5.011 504 HB3 GLU 567 HB3 GLU 567 4.707 -14.209 6.130 505 HG2 GLU 567 HG2 GLU 567 3.392 -12.416 7.202 506 HG3 GLU 567 HG3 GLU 567 2.054 -12.793 6.120 507 H ALA 568 HN ALA 568 3.206 -10.581 5.365 508 HA ALA 568 HA ALA 568 0.933 -10.911 3.648 509 HB1 ALA 568 HB1 ALA 568 1.751 -8.563 5.360 510 HB2 ALA 568 HB2 ALA 568 0.692 -9.885 5.850 511 HB3 ALA 568 HB3 ALA 568 0.184 -8.774 4.578 512 H ALA 569 HN ALA 569 3.818 -8.906 3.725 513 HA ALA 569 HA ALA 569 3.110 -7.167 1.626 514 HB1 ALA 569 HB1 ALA 569 5.850 -7.970 2.605 515 HB2 ALA 569 HB2 ALA 569 4.868 -6.653 3.244 516 HB3 ALA 569 HB3 ALA 569 5.482 -6.574 1.593 517 H GLN 570 HN GLN 570 5.011 -10.156 1.712 518 HA GLN 570 HA GLN 570 5.640 -10.085 -1.056 519 HB2 GLN 570 HB2 GLN 570 6.431 -12.381 -0.760 520 HB3 GLN 570 HB3 GLN 570 7.020 -11.338 0.525 521 HG2 GLN 570 HG2 GLN 570 5.229 -12.209 1.990 522 HG3 GLN 570 HG3 GLN 570 4.763 -13.316 0.702 523 HE21 GLN 570 HE21 GLN 570 6.154 -15.008 0.149 524 HE22 GLN 570 HE22 GLN 570 7.406 -15.547 1.212 525 H ALA 571 HN ALA 571 3.022 -11.506 0.818 526 HA ALA 571 HA ALA 571 1.969 -13.171 -1.192 527 HB1 ALA 571 HB1 ALA 571 0.510 -11.846 1.092 528 HB2 ALA 571 HB2 ALA 571 1.386 -13.374 1.182 529 HB3 ALA 571 HB3 ALA 571 -0.047 -13.239 0.163 530 H MET 572 HN MET 572 1.202 -9.819 -0.269 531 HA MET 572 HA MET 572 -0.927 -9.547 -2.124 532 HB2 MET 572 HB2 MET 572 0.757 -7.328 -0.958 533 HB3 MET 572 HB3 MET 572 -0.852 -7.176 -1.653 534 HG2 MET 572 HG2 MET 572 -1.633 -8.747 0.161 535 HG3 MET 572 HG3 MET 572 -0.055 -8.510 0.907 536 HE1 MET 572 HE1 MET 572 -2.021 -7.846 2.956 537 HE2 MET 572 HE2 MET 572 -1.606 -6.192 3.391 538 HE3 MET 572 HE3 MET 572 -0.331 -7.353 3.024 539 H VAL 573 HN VAL 573 2.518 -8.678 -2.271 540 HA VAL 573 HA VAL 573 2.454 -7.412 -4.769 541 HB VAL 573 HB VAL 573 4.701 -9.009 -3.513 542 HG11 VAL 573 HG11 VAL 573 5.040 -8.769 -5.919 543 HG12 VAL 573 HG12 VAL 573 6.190 -7.779 -5.020 544 HG13 VAL 573 HG13 VAL 573 4.792 -7.029 -5.790 545 HG21 VAL 573 HG21 VAL 573 5.573 -6.802 -2.863 546 HG22 VAL 573 HG22 VAL 573 4.003 -7.140 -2.133 547 HG23 VAL 573 HG23 VAL 573 4.116 -6.050 -3.515 548 H GLN 574 HN GLN 574 3.048 -10.817 -3.926 549 HA GLN 574 HA GLN 574 3.443 -11.735 -6.555 550 HB2 GLN 574 HB2 GLN 574 2.478 -13.171 -4.084 551 HB3 GLN 574 HB3 GLN 574 2.836 -13.986 -5.601 552 HG2 GLN 574 HG2 GLN 574 4.776 -12.405 -3.931 553 HG3 GLN 574 HG3 GLN 574 4.693 -14.162 -4.062 554 HE21 GLN 574 HE21 GLN 574 6.879 -12.337 -4.683 555 HE22 GLN 574 HE22 GLN 574 7.283 -12.617 -6.331 556 H TYR 575 HN TYR 575 0.554 -11.261 -4.647 557 HA TYR 575 HA TYR 575 -1.189 -12.689 -6.389 558 HB2 TYR 575 HB2 TYR 575 -1.822 -12.278 -4.074 559 HB3 TYR 575 HB3 TYR 575 -1.799 -10.540 -4.346 560 HD1 TYR 575 HD1 TYR 575 -3.740 -9.439 -5.011 561 HD2 TYR 575 HD2 TYR 575 -3.505 -13.662 -5.457 562 HE1 TYR 575 HE1 TYR 575 -6.113 -9.496 -5.641 563 HE2 TYR 575 HE2 TYR 575 -5.881 -13.731 -6.089 564 HH TYR 575 HH TYR 575 -7.663 -10.916 -6.857 565 H TYR 576 HN TYR 576 -0.573 -9.207 -5.934 566 HA TYR 576 HA TYR 576 -2.263 -8.517 -8.121 567 HB2 TYR 576 HB2 TYR 576 -0.360 -6.852 -6.481 568 HB3 TYR 576 HB3 TYR 576 -1.425 -6.195 -7.723 569 HD1 TYR 576 HD1 TYR 576 -3.970 -7.043 -7.443 570 HD2 TYR 576 HD2 TYR 576 -1.124 -6.742 -4.309 571 HE1 TYR 576 HE1 TYR 576 -5.801 -6.861 -5.812 572 HE2 TYR 576 HE2 TYR 576 -2.942 -6.566 -2.665 573 HH TYR 576 HH TYR 576 -5.321 -5.877 -2.620 574 H GLN 577 HN GLN 577 1.012 -9.471 -8.024 575 HA GLN 577 HA GLN 577 1.829 -8.200 -10.443 576 HB2 GLN 577 HB2 GLN 577 2.773 -10.716 -9.077 577 HB3 GLN 577 HB3 GLN 577 3.437 -10.186 -10.614 578 HG2 GLN 577 HG2 GLN 577 4.145 -8.086 -9.573 579 HG3 GLN 577 HG3 GLN 577 3.501 -8.646 -8.031 580 HE21 GLN 577 HE21 GLN 577 6.224 -7.917 -8.778 581 HE22 GLN 577 HE22 GLN 577 7.202 -9.297 -8.433 582 H GLU 578 HN GLU 578 0.282 -11.277 -9.701 583 HA GLU 578 HA GLU 578 -0.020 -11.860 -12.531 584 HB2 GLU 578 HB2 GLU 578 -0.767 -13.443 -10.070 585 HB3 GLU 578 HB3 GLU 578 -0.973 -14.011 -11.725 586 HG2 GLU 578 HG2 GLU 578 1.403 -13.903 -12.103 587 HG3 GLU 578 HG3 GLU 578 1.658 -13.213 -10.503 588 H LYS 579 HN LYS 579 -2.089 -11.082 -9.741 589 HA LYS 579 HA LYS 579 -4.213 -10.403 -11.660 590 HB2 LYS 579 HB2 LYS 579 -4.509 -11.576 -8.887 591 HB3 LYS 579 HB3 LYS 579 -5.838 -10.947 -9.846 592 HG2 LYS 579 HG2 LYS 579 -5.443 -12.663 -11.533 593 HG3 LYS 579 HG3 LYS 579 -4.097 -13.291 -10.579 594 HD2 LYS 579 HD2 LYS 579 -6.155 -14.599 -10.241 595 HD3 LYS 579 HD3 LYS 579 -5.609 -13.826 -8.752 596 HE2 LYS 579 HE2 LYS 579 -7.251 -12.048 -9.065 597 HE3 LYS 579 HE3 LYS 579 -7.780 -12.785 -10.573 598 HZ1 LYS 579 HZ1 LYS 579 -9.262 -13.321 -8.755 599 HZ2 LYS 579 HZ2 LYS 579 -7.993 -14.016 -7.881 600 HZ3 LYS 579 HZ3 LYS 579 -8.506 -14.719 -9.330 601 HA PRO 580 HA PRO 580 -2.899 -6.603 -9.348 602 HB2 PRO 580 HB2 PRO 580 -3.613 -4.901 -11.374 603 HB3 PRO 580 HB1 PRO 580 -2.025 -5.661 -11.239 604 HG2 PRO 580 HG2 PRO 580 -4.363 -6.445 -12.921 605 HG3 PRO 580 HG3 PRO 580 -2.637 -6.430 -13.329 606 HD2 PRO 580 HD2 PRO 580 -3.944 -8.703 -12.700 607 HD3 PRO 580 HD3 PRO 580 -2.239 -8.447 -12.274 608 H ALA 581 HN ALA 581 -4.144 -4.804 -8.557 609 HA ALA 581 HA ALA 581 -6.995 -5.403 -8.418 610 HB1 ALA 581 HB1 ALA 581 -7.065 -3.739 -6.646 611 HB2 ALA 581 HB2 ALA 581 -5.401 -3.270 -6.994 612 HB3 ALA 581 HB3 ALA 581 -5.749 -4.876 -6.352 613 H ILE 582 HN ILE 582 -8.569 -4.176 -9.324 614 HA ILE 582 HA ILE 582 -7.621 -2.127 -11.197 615 HB ILE 582 HB ILE 582 -10.289 -3.532 -11.253 616 HG12 ILE 582 HG12 ILE 582 -7.747 -4.247 -12.739 617 HG13 ILE 582 HG13 ILE 582 -8.462 -5.184 -11.432 618 HG21 ILE 582 HG21 ILE 582 -10.333 -2.792 -13.572 619 HG22 ILE 582 HG22 ILE 582 -8.751 -2.039 -13.377 620 HG23 ILE 582 HG23 ILE 582 -10.139 -1.418 -12.484 621 HD11 ILE 582 HD11 ILE 582 -9.725 -4.651 -14.110 622 HD12 ILE 582 HD12 ILE 582 -10.431 -5.602 -12.804 623 HD13 ILE 582 HD13 ILE 582 -8.957 -6.154 -13.602 624 H ILE 583 HN ILE 583 -7.968 -0.083 -10.685 625 HA ILE 583 HA ILE 583 -10.506 0.612 -9.357 626 HB ILE 583 HB ILE 583 -7.799 1.902 -8.975 627 HG12 ILE 583 HG12 ILE 583 -8.295 -0.100 -7.579 628 HG13 ILE 583 HG13 ILE 583 -8.100 1.370 -6.629 629 HG21 ILE 583 HG21 ILE 583 -10.483 2.866 -8.009 630 HG22 ILE 583 HG22 ILE 583 -9.484 3.630 -9.244 631 HG23 ILE 583 HG23 ILE 583 -8.921 3.561 -7.571 632 HD11 ILE 583 HD11 ILE 583 -9.934 0.062 -5.781 633 HD12 ILE 583 HD12 ILE 583 -10.702 0.059 -7.368 634 HD13 ILE 583 HD13 ILE 583 -10.538 1.569 -6.471 635 H ASN 584 HN ASN 584 -11.774 1.528 -10.833 636 HA ASN 584 HA ASN 584 -12.540 2.765 -12.564 637 HB2 ASN 584 HB2 ASN 584 -10.125 4.447 -11.885 638 HB3 ASN 584 HB3 ASN 584 -11.304 4.906 -13.108 639 HD21 ASN 584 HD21 ASN 584 -10.633 6.325 -10.726 640 HD22 ASN 584 HD22 ASN 584 -12.069 6.425 -9.771 641 H GLY 585 HN GLY 585 -10.909 0.520 -13.083 642 HA2 GLY 585 HA2 GLY 585 -10.247 -0.531 -15.017 643 HA3 GLY 585 HA3 GLY 585 -10.370 1.001 -15.865 644 H GLU 586 HN GLU 586 -8.478 1.466 -13.162 645 HA GLU 586 HA GLU 586 -6.051 1.108 -14.772 646 HB2 GLU 586 HB2 GLU 586 -6.580 2.876 -12.376 647 HB3 GLU 586 HB3 GLU 586 -5.030 2.744 -13.203 648 HG2 GLU 586 HG2 GLU 586 -6.001 3.603 -15.241 649 HG3 GLU 586 HG3 GLU 586 -7.595 3.644 -14.496 650 H LYS 587 HN LYS 587 -4.678 -0.411 -14.278 651 HA LYS 587 HA LYS 587 -5.113 -2.173 -12.081 652 HB2 LYS 587 HB2 LYS 587 -2.724 -2.069 -13.922 653 HB3 LYS 587 HB3 LYS 587 -3.254 -3.440 -12.960 654 HG2 LYS 587 HG2 LYS 587 -4.755 -2.219 -15.266 655 HG3 LYS 587 HG3 LYS 587 -3.823 -3.717 -15.307 656 HD2 LYS 587 HD2 LYS 587 -5.323 -4.703 -13.654 657 HD3 LYS 587 HD3 LYS 587 -6.241 -3.197 -13.583 658 HE2 LYS 587 HE2 LYS 587 -7.337 -4.862 -15.005 659 HE3 LYS 587 HE3 LYS 587 -6.856 -3.433 -15.916 660 HZ1 LYS 587 HZ1 LYS 587 -4.936 -4.627 -16.733 661 HZ2 LYS 587 HZ2 LYS 587 -6.347 -5.480 -17.101 662 HZ3 LYS 587 HZ3 LYS 587 -5.357 -5.995 -15.831 663 H LEU 588 HN LEU 588 -4.333 -2.070 -10.096 664 HA LEU 588 HA LEU 588 -2.340 -0.078 -9.412 665 HB2 LEU 588 HB2 LEU 588 -3.757 -2.041 -7.620 666 HB3 LEU 588 HB1 LEU 588 -2.916 -0.582 -7.133 667 HG LEU 588 HG LEU 588 -5.506 -0.744 -8.669 668 HD11 LEU 588 HD11 LEU 588 -5.839 -1.219 -6.365 669 HD12 LEU 588 HD12 LEU 588 -6.369 0.437 -6.655 670 HD13 LEU 588 HD13 LEU 588 -4.817 0.132 -5.878 671 HD21 LEU 588 HD21 LEU 588 -4.294 1.126 -9.521 672 HD22 LEU 588 HD22 LEU 588 -3.839 1.637 -7.897 673 HD23 LEU 588 HD23 LEU 588 -5.524 1.732 -8.410 674 H LEU 589 HN LEU 589 -0.320 -0.499 -8.666 675 HA LEU 589 HA LEU 589 0.530 -3.323 -8.704 676 HB2 LEU 589 HB2 LEU 589 1.543 -2.032 -10.521 677 HB3 LEU 589 HB1 LEU 589 2.188 -0.887 -9.358 678 HG LEU 589 HG LEU 589 3.550 -2.717 -8.372 679 HD11 LEU 589 HD11 LEU 589 3.820 -4.785 -9.693 680 HD12 LEU 589 HD12 LEU 589 2.466 -4.281 -10.706 681 HD13 LEU 589 HD13 LEU 589 2.209 -4.620 -8.994 682 HD21 LEU 589 HD21 LEU 589 4.511 -1.208 -10.026 683 HD22 LEU 589 HD22 LEU 589 3.946 -2.261 -11.324 684 HD23 LEU 589 HD23 LEU 589 5.169 -2.836 -10.193 685 H ILE 590 HN ILE 590 0.858 -4.063 -6.720 686 HA ILE 590 HA ILE 590 1.928 -2.256 -4.673 687 HB ILE 590 HB ILE 590 0.747 -5.029 -4.374 688 HG12 ILE 590 HG12 ILE 590 -0.360 -2.274 -3.811 689 HG13 ILE 590 HG13 ILE 590 -0.969 -3.446 -4.968 690 HG21 ILE 590 HG21 ILE 590 1.664 -3.060 -2.282 691 HG22 ILE 590 HG22 ILE 590 2.407 -4.613 -2.661 692 HG23 ILE 590 HG23 ILE 590 0.791 -4.558 -1.956 693 HD11 ILE 590 HD11 ILE 590 -1.549 -4.928 -3.064 694 HD12 ILE 590 HD12 ILE 590 -2.425 -3.400 -3.085 695 HD13 ILE 590 HD13 ILE 590 -1.078 -3.627 -1.962 696 H ARG 591 HN ARG 591 3.984 -2.422 -3.993 697 HA ARG 591 HA ARG 591 5.526 -4.841 -4.463 698 HB2 ARG 591 HB2 ARG 591 6.023 -2.250 -5.877 699 HB3 ARG 591 HB3 ARG 591 7.389 -3.258 -5.425 700 HG2 ARG 591 HG2 ARG 591 6.206 -5.142 -6.652 701 HG3 ARG 591 HG3 ARG 591 5.149 -3.892 -7.314 702 HD2 ARG 591 HD2 ARG 591 6.999 -2.771 -8.331 703 HD3 ARG 591 HD3 ARG 591 8.155 -3.817 -7.508 704 HE ARG 591 HE ARG 591 6.545 -4.468 -9.844 705 HH11 ARG 591 HH11 ARG 591 8.728 -5.585 -7.346 706 HH12 ARG 591 HH12 ARG 591 9.192 -7.012 -8.212 707 HH21 ARG 591 HH21 ARG 591 7.154 -6.349 -10.984 708 HH22 ARG 591 HH22 ARG 591 8.298 -7.451 -10.281 709 H MET 592 HN MET 592 7.733 -4.644 -3.502 710 HA MET 592 HA MET 592 7.579 -3.271 -0.946 711 HB2 MET 592 HB2 MET 592 9.690 -5.073 -2.149 712 HB3 MET 592 HB3 MET 592 9.814 -4.355 -0.551 713 HG2 MET 592 HG2 MET 592 7.746 -5.533 0.100 714 HG3 MET 592 HG3 MET 592 7.724 -6.309 -1.483 715 HE1 MET 592 HE1 MET 592 8.784 -9.221 0.939 716 HE2 MET 592 HE2 MET 592 7.614 -8.688 -0.268 717 HE3 MET 592 HE3 MET 592 7.671 -7.903 1.310 718 H SER 593 HN SER 593 8.889 -1.540 -0.317 719 HA SER 593 HA SER 593 9.833 0.071 -2.511 720 HB2 SER 593 HB2 SER 593 8.645 1.123 -0.637 721 HB3 SER 593 HB3 SER 593 9.922 0.611 0.463 722 HG SER 593 HG SER 593 9.864 2.698 -1.338 723 H THR 594 HN THR 594 11.831 0.501 -3.069 724 HA THR 594 HA THR 594 13.945 -1.185 -2.007 725 HB THR 594 HB THR 594 15.228 -0.223 -3.977 726 HG1 THR 594 HG1 THR 594 14.311 1.369 -5.020 727 HG21 THR 594 HG21 THR 594 14.123 -2.401 -4.100 728 HG22 THR 594 HG22 THR 594 13.990 -1.549 -5.638 729 HG23 THR 594 HG23 THR 594 12.607 -1.618 -4.546 730 H ARG 595 HN ARG 595 12.804 1.968 -1.580 731 HA ARG 595 HA ARG 595 15.492 3.077 -1.156 732 HB2 ARG 595 HB2 ARG 595 12.887 4.513 -1.685 733 HB3 ARG 595 HB3 ARG 595 14.454 5.289 -1.473 734 HG2 ARG 595 HG2 ARG 595 15.300 4.192 -3.453 735 HG3 ARG 595 HG3 ARG 595 13.789 3.306 -3.636 736 HD2 ARG 595 HD2 ARG 595 12.608 5.447 -3.959 737 HD3 ARG 595 HD3 ARG 595 14.152 6.294 -3.847 738 HE ARG 595 HE ARG 595 14.561 4.451 -5.806 739 HH11 ARG 595 HH11 ARG 595 12.199 6.993 -5.314 740 HH12 ARG 595 HH12 ARG 595 11.925 7.236 -7.011 741 HH21 ARG 595 HH21 ARG 595 14.195 4.775 -8.038 742 HH22 ARG 595 HH22 ARG 595 13.066 5.983 -8.557 743 H TYR 596 HN TYR 596 12.458 2.437 0.417 744 HA TYR 596 HA TYR 596 13.493 3.728 2.851 745 HB2 TYR 596 HB2 TYR 596 10.679 3.444 1.829 746 HB3 TYR 596 HB3 TYR 596 11.009 3.764 3.528 747 HD1 TYR 596 HD1 TYR 596 11.762 5.094 0.120 748 HD2 TYR 596 HD2 TYR 596 11.260 5.943 4.258 749 HE1 TYR 596 HE1 TYR 596 11.964 7.499 -0.355 750 HE2 TYR 596 HE2 TYR 596 11.459 8.346 3.793 751 HH TYR 596 HH TYR 596 12.450 9.805 2.091 752 H LYS 597 HN LYS 597 13.406 2.692 4.784 753 HA LYS 597 HA LYS 597 12.855 -0.186 4.670 754 HB2 LYS 597 HB2 LYS 597 14.683 1.405 6.460 755 HB3 LYS 597 HB3 LYS 597 14.228 -0.256 6.815 756 HG2 LYS 597 HG2 LYS 597 16.359 -0.287 5.761 757 HG3 LYS 597 HG3 LYS 597 15.184 -0.910 4.604 758 HD2 LYS 597 HD2 LYS 597 15.123 1.291 3.509 759 HD3 LYS 597 HD3 LYS 597 16.331 1.880 4.651 760 HE2 LYS 597 HE2 LYS 597 16.709 -0.407 2.729 761 HE3 LYS 597 HE3 LYS 597 17.317 1.229 2.491 762 HZ1 LYS 597 HZ1 LYS 597 18.621 0.949 4.546 763 HZ2 LYS 597 HZ2 LYS 597 19.058 -0.152 3.345 764 HZ3 LYS 597 HZ3 LYS 597 18.105 -0.658 4.646 765 H GLU 598 HN GLU 598 11.904 2.777 6.220 766 HA GLU 598 HA GLU 598 9.855 1.242 7.630 767 HB2 GLU 598 HB2 GLU 598 11.627 1.572 9.275 768 HB3 GLU 598 HB3 GLU 598 11.631 3.300 8.953 769 HG2 GLU 598 HG2 GLU 598 9.401 3.513 9.850 770 HG3 GLU 598 HG3 GLU 598 9.301 1.768 10.081 771 H LEU 599 HN LEU 599 7.979 2.339 8.037 772 HA LEU 599 HA LEU 599 7.612 4.790 6.477 773 HB2 LEU 599 HB2 LEU 599 5.603 2.817 7.562 774 HB3 LEU 599 HB1 LEU 599 5.182 4.271 6.677 775 HG LEU 599 HG LEU 599 6.697 1.890 5.622 776 HD11 LEU 599 HD11 LEU 599 4.789 1.799 4.040 777 HD12 LEU 599 HD12 LEU 599 3.987 3.037 5.007 778 HD13 LEU 599 HD13 LEU 599 4.355 1.464 5.713 779 HD21 LEU 599 HD21 LEU 599 6.382 3.242 3.433 780 HD22 LEU 599 HD22 LEU 599 7.739 3.605 4.496 781 HD23 LEU 599 HD23 LEU 599 6.301 4.632 4.515 782 H GLN 600 HN GLN 600 7.470 6.668 7.433 783 HA GLN 600 HA GLN 600 6.811 6.783 10.290 784 HB2 GLN 600 HB2 GLN 600 8.926 7.856 9.582 785 HB3 GLN 600 HB3 GLN 600 8.019 8.901 8.499 786 HG2 GLN 600 HG2 GLN 600 6.792 9.762 10.506 787 HG3 GLN 600 HG3 GLN 600 7.928 8.859 11.502 788 HE21 GLN 600 HE21 GLN 600 7.437 11.717 11.358 789 HE22 GLN 600 HE22 GLN 600 8.951 12.450 10.948 790 H LEU 601 HN LEU 601 4.756 7.244 10.767 791 HA LEU 601 HA LEU 601 3.004 8.455 8.842 792 HB2 LEU 601 HB2 LEU 601 2.598 7.761 11.751 793 HB3 LEU 601 HB1 LEU 601 1.343 8.407 10.714 794 HG LEU 601 HG LEU 601 2.733 5.751 10.372 795 HD11 LEU 601 HD11 LEU 601 -0.086 6.448 11.181 796 HD12 LEU 601 HD12 LEU 601 1.168 5.795 12.235 797 HD13 LEU 601 HD13 LEU 601 0.537 4.821 10.907 798 HD21 LEU 601 HD21 LEU 601 0.537 7.038 8.755 799 HD22 LEU 601 HD22 LEU 601 1.079 5.368 8.592 800 HD23 LEU 601 HD23 LEU 601 2.177 6.692 8.207 801 H LYS 602 HN LYS 602 3.742 10.508 8.394 802 HA LYS 602 HA LYS 602 4.138 12.427 10.515 803 HB2 LYS 602 HB2 LYS 602 3.898 12.845 7.531 804 HB3 LYS 602 HB3 LYS 602 4.372 14.072 8.692 805 HG2 LYS 602 HG2 LYS 602 6.309 12.537 9.290 806 HG3 LYS 602 HG3 LYS 602 5.894 11.640 7.826 807 HD2 LYS 602 HD2 LYS 602 6.106 13.749 6.536 808 HD3 LYS 602 HD3 LYS 602 6.647 14.558 8.007 809 HE2 LYS 602 HE2 LYS 602 8.608 14.001 6.823 810 HE3 LYS 602 HE3 LYS 602 8.483 12.815 8.120 811 HZ1 LYS 602 HZ1 LYS 602 7.777 12.418 5.266 812 HZ2 LYS 602 HZ2 LYS 602 7.462 11.289 6.481 813 HZ3 LYS 602 HZ3 LYS 602 9.057 11.698 6.107 814 H LYS 603 HN LYS 603 1.545 11.177 8.745 815 HA LYS 603 HA LYS 603 -0.197 13.408 9.548 816 HB2 LYS 603 HB2 LYS 603 -0.525 11.438 7.270 817 HB3 LYS 603 HB3 LYS 603 -1.708 12.656 7.721 818 HG2 LYS 603 HG2 LYS 603 1.083 13.184 6.726 819 HG3 LYS 603 HG3 LYS 603 -0.410 13.380 5.805 820 HD2 LYS 603 HD2 LYS 603 -1.154 15.089 7.411 821 HD3 LYS 603 HD3 LYS 603 0.360 14.903 8.298 822 HE2 LYS 603 HE2 LYS 603 1.591 15.586 6.276 823 HE3 LYS 603 HE3 LYS 603 0.056 15.841 5.448 824 HZ1 LYS 603 HZ1 LYS 603 -0.504 17.528 7.083 825 HZ2 LYS 603 HZ2 LYS 603 0.955 17.907 6.317 826 HZ3 LYS 603 HZ3 LYS 603 0.963 17.276 7.884 827 HA PRO 604 HA PRO 604 -2.354 10.641 12.234 828 HB2 PRO 604 HB2 PRO 604 -4.892 11.617 12.031 829 HB3 PRO 604 HB1 PRO 604 -3.616 12.420 12.953 830 HG2 PRO 604 HG2 PRO 604 -4.598 12.996 10.184 831 HG3 PRO 604 HG3 PRO 604 -4.209 14.129 11.492 832 HD2 PRO 604 HD2 PRO 604 -2.499 13.661 9.470 833 HD3 PRO 604 HD3 PRO 604 -1.930 13.969 11.123 834 H GLY 605 HN GLY 605 -3.643 8.807 12.202 835 HA2 GLY 605 HA2 GLY 605 -4.682 8.059 9.545 836 HA3 GLY 605 HA3 GLY 605 -3.782 6.941 10.560 837 H LYS 606 HN LYS 606 -6.711 7.494 9.491 838 HA LYS 606 HA LYS 606 -8.451 7.337 11.696 839 HB2 LYS 606 HB2 LYS 606 -8.770 6.067 8.963 840 HB3 LYS 606 HB3 LYS 606 -10.062 6.392 10.106 841 HG2 LYS 606 HG2 LYS 606 -8.356 8.526 8.850 842 HG3 LYS 606 HG3 LYS 606 -9.913 7.996 8.212 843 HD2 LYS 606 HD2 LYS 606 -10.978 8.638 10.334 844 HD3 LYS 606 HD3 LYS 606 -9.417 9.204 10.931 845 HE2 LYS 606 HE2 LYS 606 -10.781 11.056 10.101 846 HE3 LYS 606 HE3 LYS 606 -9.315 10.854 9.143 847 HZ1 LYS 606 HZ1 LYS 606 -10.582 9.758 7.441 848 HZ2 LYS 606 HZ2 LYS 606 -11.309 11.243 7.788 849 HZ3 LYS 606 HZ3 LYS 606 -11.989 9.813 8.378 850 H ASN 607 HN ASN 607 -9.396 5.471 12.729 851 HA ASN 607 HA ASN 607 -7.724 3.325 13.221 852 HB2 ASN 607 HB2 ASN 607 -9.569 3.902 14.703 853 HB3 ASN 607 HB3 ASN 607 -10.738 3.485 13.453 854 HD21 ASN 607 HD21 ASN 607 -8.394 2.239 15.714 855 HD22 ASN 607 HD22 ASN 607 -8.952 0.600 15.691 856 H VAL 608 HN VAL 608 -7.149 1.649 12.082 857 HA VAL 608 HA VAL 608 -8.248 1.289 9.451 858 HB VAL 608 HB VAL 608 -5.941 -0.061 10.861 859 HG11 VAL 608 HG11 VAL 608 -6.746 -1.563 9.173 860 HG12 VAL 608 HG12 VAL 608 -5.260 -0.801 8.596 861 HG13 VAL 608 HG13 VAL 608 -6.826 -0.257 7.995 862 HG21 VAL 608 HG21 VAL 608 -5.594 2.312 10.455 863 HG22 VAL 608 HG22 VAL 608 -6.014 2.102 8.754 864 HG23 VAL 608 HG23 VAL 608 -4.558 1.346 9.405 865 H ALA 609 HN ALA 609 -8.587 -0.256 12.526 866 HA ALA 609 HA ALA 609 -9.511 -2.779 11.670 867 HB1 ALA 609 HB1 ALA 609 -10.305 -1.228 14.134 868 HB2 ALA 609 HB2 ALA 609 -8.934 -2.329 14.000 869 HB3 ALA 609 HB3 ALA 609 -10.580 -2.949 13.865 870 H ALA 610 HN ALA 610 -11.076 0.329 12.018 871 HA ALA 610 HA ALA 610 -13.721 -0.521 11.501 872 HB1 ALA 610 HB1 ALA 610 -12.425 2.153 11.001 873 HB2 ALA 610 HB2 ALA 610 -13.220 1.646 12.490 874 HB3 ALA 610 HB3 ALA 610 -14.160 1.839 11.009 875 H ILE 611 HN ILE 611 -10.966 0.113 9.483 876 HA ILE 611 HA ILE 611 -12.380 0.325 7.017 877 HB ILE 611 HB ILE 611 -9.480 -0.422 7.525 878 HG12 ILE 611 HG12 ILE 611 -10.750 2.222 6.775 879 HG13 ILE 611 HG13 ILE 611 -10.154 1.807 8.377 880 HG21 ILE 611 HG21 ILE 611 -10.814 0.511 4.982 881 HG22 ILE 611 HG22 ILE 611 -10.276 -1.136 5.310 882 HG23 ILE 611 HG23 ILE 611 -9.096 0.169 5.200 883 HD11 ILE 611 HD11 ILE 611 -8.536 2.108 5.864 884 HD12 ILE 611 HD12 ILE 611 -7.892 1.542 7.404 885 HD13 ILE 611 HD13 ILE 611 -8.543 3.177 7.268 886 H ILE 612 HN ILE 612 -11.014 -2.326 8.902 887 HA ILE 612 HA ILE 612 -11.503 -4.442 7.129 888 HB ILE 612 HB ILE 612 -11.848 -4.481 10.142 889 HG12 ILE 612 HG12 ILE 612 -9.392 -5.128 8.501 890 HG13 ILE 612 HG13 ILE 612 -9.623 -3.639 9.411 891 HG21 ILE 612 HG21 ILE 612 -11.356 -6.879 9.941 892 HG22 ILE 612 HG22 ILE 612 -11.315 -6.715 8.186 893 HG23 ILE 612 HG23 ILE 612 -12.818 -6.431 9.063 894 HD11 ILE 612 HD11 ILE 612 -9.464 -6.417 10.550 895 HD12 ILE 612 HD12 ILE 612 -9.735 -4.944 11.479 896 HD13 ILE 612 HD13 ILE 612 -8.211 -5.178 10.623 897 H GLN 613 HN GLN 613 -13.608 -2.739 9.396 898 HA GLN 613 HA GLN 613 -15.922 -4.326 8.994 899 HB2 GLN 613 HB2 GLN 613 -15.780 -1.398 9.744 900 HB3 GLN 613 HB3 GLN 613 -17.156 -2.467 9.983 901 HG2 GLN 613 HG2 GLN 613 -14.467 -2.700 11.316 902 HG3 GLN 613 HG3 GLN 613 -15.959 -2.125 12.060 903 HE21 GLN 613 HE21 GLN 613 -17.578 -3.607 12.555 904 HE22 GLN 613 HE22 GLN 613 -17.280 -5.300 12.621 905 H ASP 614 HN ASP 614 -14.530 -1.637 7.300 906 HA ASP 614 HA ASP 614 -16.707 -1.086 5.556 907 HB2 ASP 614 HB2 ASP 614 -13.777 -0.469 5.466 908 HB3 ASP 614 HB3 ASP 614 -14.754 -0.217 4.024 909 H ILE 615 HN ILE 615 -13.956 -3.273 5.364 910 HA ILE 615 HA ILE 615 -14.492 -4.265 2.761 911 HB ILE 615 HB ILE 615 -13.062 -5.599 5.068 912 HG12 ILE 615 HG12 ILE 615 -11.965 -4.115 2.669 913 HG13 ILE 615 HG13 ILE 615 -12.086 -3.451 4.298 914 HG21 ILE 615 HG21 ILE 615 -13.076 -6.300 2.133 915 HG22 ILE 615 HG22 ILE 615 -13.795 -7.249 3.434 916 HG23 ILE 615 HG23 ILE 615 -12.045 -7.040 3.357 917 HD11 ILE 615 HD11 ILE 615 -9.851 -4.165 3.921 918 HD12 ILE 615 HD12 ILE 615 -10.391 -5.760 3.400 919 HD13 ILE 615 HD13 ILE 615 -10.592 -5.264 5.081 920 H HIS 616 HN HIS 616 -15.627 -5.095 5.969 921 HA HIS 616 HA HIS 616 -16.869 -7.543 5.332 922 HB2 HIS 616 HB2 HIS 616 -17.457 -5.519 7.493 923 HB3 HIS 616 HB3 HIS 616 -18.305 -7.055 7.363 924 HD1 HIS 616 HD1 HIS 616 -16.868 -6.691 9.912 925 HD2 HIS 616 HD2 HIS 616 -14.961 -8.190 6.536 926 HE1 HIS 616 HE1 HIS 616 -14.882 -7.974 10.770 927 HE2 HIS 616 HE2 HIS 616 -13.683 -8.786 8.706 928 H SER 617 HN SER 617 -17.997 -4.202 5.142 929 HA SER 617 HA SER 617 -20.615 -4.924 4.308 930 HB2 SER 617 HB2 SER 617 -20.278 -2.349 3.445 931 HB3 SER 617 HB3 SER 617 -20.806 -2.811 5.061 932 HG SER 617 HG SER 617 -18.244 -2.025 4.173 933 H GLN 618 HN GLN 618 -17.597 -4.170 2.644 934 HA GLN 618 HA GLN 618 -18.850 -5.027 0.134 935 HB2 GLN 618 HB2 GLN 618 -17.234 -2.507 0.509 936 HB3 GLN 618 HB3 GLN 618 -17.576 -3.216 -1.063 937 HG2 GLN 618 HG2 GLN 618 -19.980 -2.951 -0.633 938 HG3 GLN 618 HG3 GLN 618 -19.603 -2.188 0.909 939 HE21 GLN 618 HE21 GLN 618 -21.000 -1.178 -1.470 940 HE22 GLN 618 HE22 GLN 618 -20.158 0.262 -1.933 941 H ARG 619 HN ARG 619 -17.768 -6.913 -0.094 942 HA ARG 619 HA ARG 619 -14.880 -7.008 0.105 943 HB2 ARG 619 HB2 ARG 619 -16.945 -9.061 -0.651 944 HB3 ARG 619 HB3 ARG 619 -15.232 -9.356 -0.886 945 HG2 ARG 619 HG2 ARG 619 -15.708 -10.363 1.143 946 HG3 ARG 619 HG3 ARG 619 -14.982 -8.825 1.595 947 HD2 ARG 619 HD2 ARG 619 -17.219 -7.897 1.981 948 HD3 ARG 619 HD3 ARG 619 -17.928 -9.458 1.554 949 HE ARG 619 HE ARG 619 -15.959 -9.436 3.698 950 HH11 ARG 619 HH11 ARG 619 -19.349 -9.526 2.820 951 HH12 ARG 619 HH12 ARG 619 -19.847 -10.171 4.350 952 HH21 ARG 619 HH21 ARG 619 -16.604 -10.291 5.680 953 HH22 ARG 619 HH22 ARG 619 -18.285 -10.610 5.980 954 H GLU 620 HN GLU 620 -13.486 -7.528 -1.627 955 HA GLU 620 HA GLU 620 -12.557 -7.058 -3.643 956 HB2 GLU 620 HB2 GLU 620 -15.277 -7.951 -4.617 957 HB3 GLU 620 HB3 GLU 620 -13.864 -7.742 -5.642 958 HG2 GLU 620 HG2 GLU 620 -14.129 -9.690 -3.366 959 HG3 GLU 620 HG3 GLU 620 -14.211 -10.075 -5.084 960 H ARG 621 HN ARG 621 -12.424 -4.829 -3.125 961 HA ARG 621 HA ARG 621 -14.439 -2.951 -3.554 962 HB2 ARG 621 HB2 ARG 621 -12.420 -2.518 -2.215 963 HB3 ARG 621 HB3 ARG 621 -11.448 -2.548 -3.678 964 HG2 ARG 621 HG2 ARG 621 -11.919 -0.272 -2.908 965 HG3 ARG 621 HG3 ARG 621 -12.576 -0.585 -4.516 966 HD2 ARG 621 HD2 ARG 621 -14.786 -0.943 -3.556 967 HD3 ARG 621 HD3 ARG 621 -14.139 -0.680 -1.936 968 HE ARG 621 HE ARG 621 -13.470 1.604 -2.995 969 HH11 ARG 621 HH11 ARG 621 -16.448 -0.182 -3.516 970 HH12 ARG 621 HH12 ARG 621 -17.394 1.237 -3.820 971 HH21 ARG 621 HH21 ARG 621 -14.707 3.467 -3.416 972 HH22 ARG 621 HH22 ARG 621 -16.401 3.323 -3.768 Start of MODEL 12 1 HO5' ADN 1 H5T ADE 1 9.198 -1.661 -8.969 2 H5'1 ADN 1 H5' ADE 1 7.970 -1.424 -11.483 3 H5'2 ADN 1 H5'' ADE 1 9.736 -1.521 -11.393 4 H4' ADN 1 H4' ADE 1 7.879 0.571 -10.419 5 H3' ADN 1 H3' ADE 1 9.611 0.728 -12.445 6 H2' ADN 1 H2' ADE 1 11.613 0.182 -11.192 7 HO2' ADN 1 HO2' ADE 1 12.659 2.193 -10.773 8 H1' ADN 1 H1' ADE 1 10.637 2.024 -8.941 9 H8 ADN 1 H8 ADE 1 11.117 -1.625 -8.361 10 HN61 ADN 1 H61 ADE 1 15.402 -1.486 -6.087 11 HN62 ADN 1 H62 ADE 1 16.588 -0.224 -5.840 12 H2 ADN 1 H2 ADE 1 14.997 3.457 -7.842 13 H5' U 2 H5' URI 2 11.154 5.308 -10.542 14 H5'' U 2 H5'' URI 2 10.079 3.933 -10.226 15 H4' U 2 H4' URI 2 9.453 6.841 -10.450 16 H3' U 2 H3' URI 2 9.633 5.406 -8.198 17 H2' U 2 H2' URI 2 8.018 3.699 -8.880 18 HO2' U 2 HO2' URI 2 6.717 5.806 -7.470 19 H1' U 2 H1' URI 2 6.279 6.068 -9.818 20 H3 U 2 H3 URI 2 2.930 3.753 -11.586 21 H5 U 2 H5 URI 2 6.058 0.952 -11.612 22 H6 U 2 H6 URI 2 7.478 2.640 -10.654 23 H5' C 3 H5' CYT 3 6.592 8.021 -4.911 24 H5'' C 3 H5'' CYT 3 8.130 8.898 -4.834 25 H4' C 3 H4' CYT 3 7.048 7.634 -2.758 26 H3' C 3 H3' CYT 3 9.388 8.933 -3.027 27 H2' C 3 H2' CYT 3 10.644 7.066 -3.923 28 HO2' C 3 HO2' CYT 3 10.994 6.161 -1.330 29 H1' C 3 H1' CYT 3 9.215 5.298 -1.850 30 H41 C 3 H41 CYT 3 11.523 1.242 -6.531 31 H42 C 3 H42 CYT 3 12.157 0.661 -5.010 32 H5 C 3 H5 CYT 3 10.239 3.287 -6.730 33 H6 C 3 H6 CYT 3 9.278 5.163 -5.504 34 H5' U 4 H5' URI 4 6.599 10.452 -0.589 35 H5'' U 4 H5'' URI 4 7.647 11.663 0.175 36 H4' U 4 H4' URI 4 5.310 11.299 1.133 37 H3' U 4 H3' URI 4 7.414 12.372 2.372 38 H2' U 4 H2' URI 4 8.397 10.304 3.159 39 HO2' U 4 HO2' URI 4 7.203 10.061 5.401 40 H1' U 4 H1' URI 4 5.596 9.357 3.984 41 H3 U 4 H3 URI 4 8.168 5.969 5.703 42 H5 U 4 H5 URI 4 8.420 5.599 1.533 43 H6 U 4 H6 URI 4 7.315 7.730 1.351 44 H5' U 5 H5' URI 5 3.792 13.014 0.360 45 H5'' U 5 H5'' URI 5 3.067 14.554 0.863 46 H4' U 5 H4' URI 5 1.582 12.733 -0.179 47 H3' U 5 H3' URI 5 0.827 14.836 1.314 48 H2' U 5 H2' URI 5 1.034 13.739 3.471 49 HO2' U 5 HO2' URI 5 -1.472 13.915 2.445 50 H1' U 5 H1' URI 5 -0.281 11.278 2.188 51 H3 U 5 H3 URI 5 -0.276 9.122 6.084 52 H5 U 5 H5 URI 5 3.613 10.698 5.870 53 H6 U 5 H6 URI 5 2.954 11.849 3.861 54 H5' A 6 H5' ADE 6 -4.138 15.390 -0.927 55 H5'' A 6 H5'' ADE 6 -2.737 16.447 -0.668 56 H4' A 6 H4' ADE 6 -3.550 14.188 1.157 57 H3' A 6 H3' ADE 6 -5.091 16.361 1.102 58 HO3' A 6 H3T ADE 6 -5.367 14.748 2.554 59 H2' A 6 H2' ADE 6 -3.321 18.005 1.287 60 HO2' A 6 HO2' ADE 6 -4.063 17.257 3.944 61 H1' A 6 H1' ADE 6 -2.032 16.279 3.478 62 H8 A 6 H8 ADE 6 -1.727 19.189 1.143 63 H61 A 6 H61 ADE 6 3.024 20.046 1.579 64 H62 A 6 H62 ADE 6 4.342 19.170 2.321 65 H2 A 6 H2 ADE 6 2.578 15.430 4.063 66 H1 GLY 510 HT1 GLY 510 20.703 -12.326 -1.654 67 H2 GLY 510 HT2 GLY 510 19.915 -11.726 -0.285 68 H3 GLY 510 HT3 GLY 510 21.283 -10.935 -0.883 69 HA2 GLY 510 HA3 GLY 510 19.290 -9.727 -1.479 70 HA3 GLY 510 HA2 GLY 510 20.105 -10.355 -2.904 71 H ALA 511 HN ALA 511 17.604 -9.721 -3.329 72 HA ALA 511 HA ALA 511 15.638 -10.461 -4.164 73 HB1 ALA 511 HB1 ALA 511 16.979 -12.203 -5.248 74 HB2 ALA 511 HB2 ALA 511 15.374 -12.785 -4.806 75 HB3 ALA 511 HB3 ALA 511 16.774 -13.235 -3.833 76 H MET 512 HN MET 512 16.210 -13.196 -1.968 77 HA MET 512 HA MET 512 13.757 -12.444 -0.539 78 HB2 MET 512 HB2 MET 512 13.716 -14.716 0.311 79 HB3 MET 512 HB3 MET 512 13.884 -14.751 -1.436 80 HG2 MET 512 HG2 MET 512 16.241 -15.233 -1.238 81 HG3 MET 512 HG3 MET 512 16.148 -15.094 0.517 82 HE1 MET 512 HE1 MET 512 16.739 -18.923 0.002 83 HE2 MET 512 HE2 MET 512 17.273 -17.471 0.846 84 HE3 MET 512 HE3 MET 512 17.439 -17.585 -0.906 85 H ALA 513 HN ALA 513 14.016 -13.370 1.913 86 HA ALA 513 HA ALA 513 14.824 -12.865 3.978 87 HB1 ALA 513 HB1 ALA 513 17.521 -12.972 2.622 88 HB2 ALA 513 HB2 ALA 513 16.658 -14.354 3.296 89 HB3 ALA 513 HB3 ALA 513 17.221 -13.064 4.358 90 H GLN 514 HN GLN 514 13.841 -10.755 2.626 91 HA GLN 514 HA GLN 514 15.669 -8.562 2.468 92 HB2 GLN 514 HB2 GLN 514 12.647 -8.586 2.486 93 HB3 GLN 514 HB3 GLN 514 13.655 -7.212 2.057 94 HG2 GLN 514 HG2 GLN 514 14.578 -8.506 0.179 95 HG3 GLN 514 HG3 GLN 514 13.493 -9.832 0.588 96 HE21 GLN 514 HE21 GLN 514 12.639 -6.457 0.820 97 HE22 GLN 514 HE22 GLN 514 11.467 -6.472 -0.441 98 H ARG 515 HN ARG 515 15.396 -6.569 3.712 99 HA ARG 515 HA ARG 515 15.395 -7.235 6.524 100 HB2 ARG 515 HB2 ARG 515 16.253 -4.831 4.938 101 HB3 ARG 515 HB3 ARG 515 16.124 -4.755 6.687 102 HG2 ARG 515 HG2 ARG 515 18.409 -5.183 6.018 103 HG3 ARG 515 HG3 ARG 515 17.754 -6.567 6.888 104 HD2 ARG 515 HD2 ARG 515 19.046 -7.321 4.988 105 HD3 ARG 515 HD3 ARG 515 17.343 -7.699 4.743 106 HE ARG 515 HE ARG 515 18.149 -5.204 3.558 107 HH11 ARG 515 HH11 ARG 515 17.938 -8.668 3.087 108 HH12 ARG 515 HH12 ARG 515 17.976 -8.570 1.356 109 HH21 ARG 515 HH21 ARG 515 18.192 -5.071 1.268 110 HH22 ARG 515 HH22 ARG 515 18.134 -6.525 0.323 111 H LYS 516 HN LYS 516 12.911 -7.568 5.832 112 HA LYS 516 HA LYS 516 11.490 -5.127 6.686 113 HB2 LYS 516 HB2 LYS 516 10.312 -7.457 5.160 114 HB3 LYS 516 HB3 LYS 516 9.535 -5.924 5.515 115 HG2 LYS 516 HG2 LYS 516 11.849 -6.381 3.645 116 HG3 LYS 516 HG3 LYS 516 10.187 -5.998 3.204 117 HD2 LYS 516 HD2 LYS 516 10.450 -3.830 4.432 118 HD3 LYS 516 HD3 LYS 516 12.161 -4.218 4.632 119 HE2 LYS 516 HE2 LYS 516 12.218 -4.497 2.097 120 HE3 LYS 516 HE3 LYS 516 10.641 -3.710 2.087 121 HZ1 LYS 516 HZ1 LYS 516 11.640 -1.774 3.141 122 HZ2 LYS 516 HZ2 LYS 516 12.436 -2.137 1.694 123 HZ3 LYS 516 HZ3 LYS 516 13.147 -2.539 3.173 124 H GLY 517 HN GLY 517 12.819 -7.347 8.224 125 HA2 GLY 517 HA2 GLY 517 10.562 -8.781 9.385 126 HA3 GLY 517 HA3 GLY 517 12.261 -9.085 9.704 127 H ALA 518 HN ALA 518 10.432 -6.088 9.901 128 HA ALA 518 HA ALA 518 10.081 -6.001 12.678 129 HB1 ALA 518 HB1 ALA 518 11.762 -4.336 13.313 130 HB2 ALA 518 HB2 ALA 518 12.463 -4.433 11.697 131 HB3 ALA 518 HB3 ALA 518 12.525 -5.831 12.770 132 H GLY 519 HN GLY 519 10.892 -4.173 9.883 133 HA2 GLY 519 HA2 GLY 519 8.380 -2.672 10.112 134 HA3 GLY 519 HA3 GLY 519 9.888 -1.823 9.762 135 H ARG 520 HN ARG 520 7.433 -2.156 8.071 136 HA ARG 520 HA ARG 520 8.902 -3.214 5.753 137 HB2 ARG 520 HB2 ARG 520 5.981 -3.768 6.306 138 HB3 ARG 520 HB3 ARG 520 6.858 -4.238 4.858 139 HG2 ARG 520 HG2 ARG 520 7.324 -6.161 5.842 140 HG3 ARG 520 HG3 ARG 520 8.326 -5.278 6.996 141 HD2 ARG 520 HD2 ARG 520 5.417 -6.010 7.264 142 HD3 ARG 520 HD3 ARG 520 6.767 -6.597 8.231 143 HE ARG 520 HE ARG 520 5.988 -3.758 8.258 144 HH11 ARG 520 HH11 ARG 520 6.611 -6.762 9.941 145 HH12 ARG 520 HH12 ARG 520 6.486 -6.050 11.516 146 HH21 ARG 520 HH21 ARG 520 5.833 -2.810 10.320 147 HH22 ARG 520 HH22 ARG 520 6.043 -3.801 11.735 148 H VAL 521 HN VAL 521 8.866 -1.916 4.054 149 HA VAL 521 HA VAL 521 6.704 0.065 3.866 150 HB VAL 521 HB VAL 521 9.457 0.219 2.630 151 HG11 VAL 521 HG11 VAL 521 8.871 2.438 1.928 152 HG12 VAL 521 HG12 VAL 521 7.286 2.289 2.676 153 HG13 VAL 521 HG13 VAL 521 7.695 1.294 1.282 154 HG21 VAL 521 HG21 VAL 521 8.241 1.700 4.938 155 HG22 VAL 521 HG22 VAL 521 9.782 2.101 4.181 156 HG23 VAL 521 HG23 VAL 521 9.578 0.554 5.001 157 H VAL 522 HN VAL 522 5.256 -0.426 2.401 158 HA VAL 522 HA VAL 522 6.086 -1.945 0.019 159 HB VAL 522 HB VAL 522 3.359 -2.064 1.315 160 HG11 VAL 522 HG11 VAL 522 4.647 -3.642 -0.896 161 HG12 VAL 522 HG12 VAL 522 3.229 -2.596 -0.994 162 HG13 VAL 522 HG13 VAL 522 3.146 -4.118 -0.103 163 HG21 VAL 522 HG21 VAL 522 3.896 -4.161 2.291 164 HG22 VAL 522 HG22 VAL 522 5.167 -3.022 2.765 165 HG23 VAL 522 HG23 VAL 522 5.474 -4.200 1.487 166 H HIS 523 HN HIS 523 5.719 -0.809 -1.864 167 HA HIS 523 HA HIS 523 4.215 1.685 -1.559 168 HB2 HIS 523 HB2 HIS 523 6.567 1.945 -2.161 169 HB3 HIS 523 HB3 HIS 523 6.373 0.838 -3.512 170 HD1 HIS 523 HD1 HIS 523 5.152 1.742 -5.619 171 HD2 HIS 523 HD2 HIS 523 5.746 4.560 -2.626 172 HE1 HIS 523 HE1 HIS 523 4.788 3.971 -6.708 173 HE2 HIS 523 HE2 HIS 523 5.381 5.655 -4.943 174 H ILE 524 HN ILE 524 2.427 1.955 -2.656 175 HA ILE 524 HA ILE 524 1.718 0.024 -4.761 176 HB ILE 524 HB ILE 524 -0.159 1.693 -3.070 177 HG12 ILE 524 HG12 ILE 524 0.647 -1.210 -2.774 178 HG13 ILE 524 HG13 ILE 524 1.039 0.094 -1.663 179 HG21 ILE 524 HG21 ILE 524 -1.867 0.106 -3.924 180 HG22 ILE 524 HG22 ILE 524 -0.639 -0.593 -4.979 181 HG23 ILE 524 HG23 ILE 524 -1.128 1.087 -5.189 182 HD11 ILE 524 HD11 ILE 524 -1.727 -0.928 -2.255 183 HD12 ILE 524 HD12 ILE 524 -1.310 0.353 -1.115 184 HD13 ILE 524 HD13 ILE 524 -0.763 -1.300 -0.822 185 H CYS 525 HN CYS 525 1.026 0.869 -6.726 186 HA CYS 525 HA CYS 525 0.949 3.782 -6.937 187 HB2 CYS 525 HB2 CYS 525 2.356 3.592 -9.047 188 HB3 CYS 525 HB3 CYS 525 3.199 3.396 -7.517 189 HG CYS 525 HG CYS 525 2.672 1.156 -9.977 190 H ASN 526 HN ASN 526 0.170 4.533 -8.984 191 HA ASN 526 HA ASN 526 -1.020 4.487 -10.937 192 HB2 ASN 526 HB2 ASN 526 -1.392 1.534 -10.397 193 HB3 ASN 526 HB3 ASN 526 -2.111 2.371 -11.769 194 HD21 ASN 526 HD21 ASN 526 -0.211 0.190 -11.759 195 HD22 ASN 526 HD22 ASN 526 1.188 0.755 -12.609 196 H LEU 527 HN LEU 527 -1.806 4.954 -8.199 197 HA LEU 527 HA LEU 527 -4.646 4.361 -8.130 198 HB2 LEU 527 HB2 LEU 527 -2.811 5.921 -6.310 199 HB3 LEU 527 HB1 LEU 527 -4.541 5.843 -6.064 200 HG LEU 527 HG LEU 527 -2.760 3.406 -6.091 201 HD11 LEU 527 HD11 LEU 527 -3.761 5.041 -3.760 202 HD12 LEU 527 HD12 LEU 527 -2.081 4.821 -4.249 203 HD13 LEU 527 HD13 LEU 527 -3.007 3.452 -3.630 204 HD21 LEU 527 HD21 LEU 527 -5.112 2.992 -6.589 205 HD22 LEU 527 HD22 LEU 527 -5.581 3.869 -5.134 206 HD23 LEU 527 HD23 LEU 527 -4.681 2.358 -5.002 207 HA PRO 528 HA PRO 528 -5.337 8.124 -10.452 208 HB2 PRO 528 HB2 PRO 528 -8.178 7.771 -10.011 209 HB3 PRO 528 HB1 PRO 528 -7.266 7.581 -11.506 210 HG2 PRO 528 HG2 PRO 528 -8.433 5.507 -10.144 211 HG3 PRO 528 HG3 PRO 528 -7.042 5.328 -11.227 212 HD2 PRO 528 HD2 PRO 528 -7.133 5.408 -8.248 213 HD3 PRO 528 HD3 PRO 528 -6.083 4.467 -9.327 214 H GLU 529 HN GLU 529 -5.369 10.171 -9.725 215 HA GLU 529 HA GLU 529 -5.914 10.821 -7.037 216 HB2 GLU 529 HB2 GLU 529 -4.383 12.156 -8.377 217 HB3 GLU 529 HB3 GLU 529 -5.689 12.600 -9.467 218 HG2 GLU 529 HG2 GLU 529 -6.783 13.842 -7.707 219 HG3 GLU 529 HG3 GLU 529 -5.554 13.330 -6.553 220 H GLY 530 HN GLY 530 -7.709 11.780 -6.069 221 HA2 GLY 530 HA2 GLY 530 -9.942 12.430 -5.932 222 HA3 GLY 530 HA3 GLY 530 -10.100 12.173 -7.668 223 H SER 531 HN SER 531 -8.535 9.591 -6.287 224 HA SER 531 HA SER 531 -10.919 8.039 -5.761 225 HB2 SER 531 HB2 SER 531 -9.050 7.400 -8.056 226 HB3 SER 531 HB3 SER 531 -10.365 6.364 -7.492 227 HG SER 531 HG SER 531 -11.665 8.425 -7.887 228 H CYS 532 HN CYS 532 -7.918 8.900 -4.968 229 HA CYS 532 HA CYS 532 -6.905 6.277 -4.186 230 HB2 CYS 532 HB2 CYS 532 -5.718 8.992 -3.567 231 HB3 CYS 532 HB3 CYS 532 -4.916 7.434 -3.437 232 HG CYS 532 HG CYS 532 -5.994 8.074 -6.524 233 H THR 533 HN THR 533 -8.551 5.725 -2.655 234 HA THR 533 HA THR 533 -8.844 7.583 -0.407 235 HB THR 533 HB THR 533 -10.747 6.241 0.278 236 HG1 THR 533 HG1 THR 533 -11.038 4.527 -1.731 237 HG21 THR 533 HG21 THR 533 -11.179 7.903 -1.465 238 HG22 THR 533 HG22 THR 533 -12.215 6.490 -1.678 239 HG23 THR 533 HG23 THR 533 -10.800 6.710 -2.709 240 H GLU 534 HN GLU 534 -8.482 6.855 1.733 241 HA GLU 534 HA GLU 534 -6.334 5.047 2.058 242 HB2 GLU 534 HB2 GLU 534 -8.227 6.047 4.190 243 HB3 GLU 534 HB3 GLU 534 -6.614 5.394 4.430 244 HG2 GLU 534 HG2 GLU 534 -5.686 7.299 3.118 245 HG3 GLU 534 HG3 GLU 534 -7.319 7.966 3.032 246 H ASN 535 HN ASN 535 -9.761 4.831 2.164 247 HA ASN 535 HA ASN 535 -10.034 2.336 3.432 248 HB2 ASN 535 HB2 ASN 535 -11.795 3.865 1.528 249 HB3 ASN 535 HB3 ASN 535 -12.255 2.278 2.135 250 HD21 ASN 535 HD21 ASN 535 -12.841 2.045 4.265 251 HD22 ASN 535 HD22 ASN 535 -13.158 3.385 5.305 252 H ASP 536 HN ASP 536 -9.731 3.131 -0.079 253 HA ASP 536 HA ASP 536 -10.269 0.419 -0.843 254 HB2 ASP 536 HB2 ASP 536 -9.224 2.812 -2.334 255 HB3 ASP 536 HB3 ASP 536 -9.251 1.221 -3.083 256 H VAL 537 HN VAL 537 -7.401 2.368 -0.562 257 HA VAL 537 HA VAL 537 -5.519 0.528 -1.551 258 HB VAL 537 HB VAL 537 -5.020 2.644 0.565 259 HG11 VAL 537 HG11 VAL 537 -3.175 1.009 0.197 260 HG12 VAL 537 HG12 VAL 537 -2.753 2.673 -0.214 261 HG13 VAL 537 HG13 VAL 537 -3.129 1.518 -1.494 262 HG21 VAL 537 HG21 VAL 537 -4.428 4.085 -1.363 263 HG22 VAL 537 HG22 VAL 537 -6.135 3.646 -1.317 264 HG23 VAL 537 HG23 VAL 537 -5.045 2.838 -2.444 265 H ILE 538 HN ILE 538 -6.512 1.200 1.787 266 HA ILE 538 HA ILE 538 -5.026 -0.936 2.906 267 HB ILE 538 HB ILE 538 -7.310 0.672 4.017 268 HG12 ILE 538 HG12 ILE 538 -4.329 0.656 4.505 269 HG13 ILE 538 HG13 ILE 538 -5.259 1.922 3.709 270 HG21 ILE 538 HG21 ILE 538 -6.636 -0.323 6.206 271 HG22 ILE 538 HG22 ILE 538 -5.651 -1.482 5.310 272 HG23 ILE 538 HG23 ILE 538 -7.399 -1.460 5.095 273 HD11 ILE 538 HD11 ILE 538 -4.636 2.448 6.037 274 HD12 ILE 538 HD12 ILE 538 -5.633 1.092 6.571 275 HD13 ILE 538 HD13 ILE 538 -6.376 2.465 5.747 276 H ASN 539 HN ASN 539 -8.338 -0.702 1.672 277 HA ASN 539 HA ASN 539 -9.282 -3.123 2.681 278 HB2 ASN 539 HB2 ASN 539 -10.010 -1.700 0.123 279 HB3 ASN 539 HB3 ASN 539 -10.778 -3.198 0.623 280 HD21 ASN 539 HD21 ASN 539 -10.538 -2.258 3.493 281 HD22 ASN 539 HD22 ASN 539 -11.845 -1.162 3.675 282 H LEU 540 HN LEU 540 -7.119 -2.483 0.026 283 HA LEU 540 HA LEU 540 -7.130 -5.189 -0.922 284 HB2 LEU 540 HB2 LEU 540 -5.072 -2.998 -1.201 285 HB3 LEU 540 HB1 LEU 540 -5.040 -4.520 -2.070 286 HG LEU 540 HG LEU 540 -7.156 -2.384 -2.336 287 HD11 LEU 540 HD11 LEU 540 -4.891 -3.213 -4.139 288 HD12 LEU 540 HD12 LEU 540 -5.074 -1.671 -3.303 289 HD13 LEU 540 HD13 LEU 540 -6.193 -2.114 -4.593 290 HD21 LEU 540 HD21 LEU 540 -6.782 -4.986 -3.819 291 HD22 LEU 540 HD22 LEU 540 -7.949 -3.730 -4.233 292 HD23 LEU 540 HD23 LEU 540 -8.091 -4.595 -2.703 293 H GLY 541 HN GLY 541 -5.083 -3.258 1.248 294 HA2 GLY 541 HA2 GLY 541 -3.188 -5.191 1.864 295 HA3 GLY 541 HA3 GLY 541 -3.633 -3.842 2.897 296 H LEU 542 HN LEU 542 -6.166 -4.497 3.683 297 HA LEU 542 HA LEU 542 -5.464 -5.941 5.942 298 HB2 LEU 542 HB2 LEU 542 -8.126 -5.139 4.848 299 HB3 LEU 542 HB1 LEU 542 -7.973 -5.993 6.371 300 HG LEU 542 HG LEU 542 -6.598 -3.377 5.790 301 HD11 LEU 542 HD11 LEU 542 -8.995 -3.044 5.701 302 HD12 LEU 542 HD12 LEU 542 -8.341 -2.352 7.186 303 HD13 LEU 542 HD13 LEU 542 -9.192 -3.897 7.229 304 HD21 LEU 542 HD21 LEU 542 -6.368 -3.319 8.243 305 HD22 LEU 542 HD22 LEU 542 -5.535 -4.692 7.519 306 HD23 LEU 542 HD23 LEU 542 -7.082 -4.929 8.328 307 HA PRO 543 HA PRO 543 -8.147 -9.685 4.287 308 HB2 PRO 543 HB2 PRO 543 -7.429 -9.479 1.404 309 HB3 PRO 543 HB1 PRO 543 -8.944 -10.000 2.156 310 HG2 PRO 543 HG2 PRO 543 -8.805 -7.610 1.052 311 HG3 PRO 543 HG3 PRO 543 -9.608 -7.802 2.627 312 HD2 PRO 543 HD2 PRO 543 -6.840 -6.800 2.026 313 HD3 PRO 543 HD3 PRO 543 -8.061 -6.133 3.130 314 H PHE 544 HN PHE 544 -4.982 -8.766 2.930 315 HA PHE 544 HA PHE 544 -4.159 -11.570 3.056 316 HB2 PHE 544 HB2 PHE 544 -2.605 -9.163 2.109 317 HB3 PHE 544 HB3 PHE 544 -2.137 -10.845 1.913 318 HD1 PHE 544 HD1 PHE 544 -3.616 -12.322 0.455 319 HD2 PHE 544 HD2 PHE 544 -3.878 -8.075 0.516 320 HE1 PHE 544 HE1 PHE 544 -4.762 -12.363 -1.724 321 HE2 PHE 544 HE2 PHE 544 -5.035 -8.109 -1.653 322 HZ PHE 544 HZ PHE 544 -5.473 -10.257 -2.779 323 H GLY 545 HN GLY 545 -4.188 -8.839 5.015 324 HA2 GLY 545 HA2 GLY 545 -2.834 -9.908 7.160 325 HA3 GLY 545 HA3 GLY 545 -1.611 -9.062 6.224 326 H LYS 546 HN LYS 546 -2.498 -8.429 8.892 327 HA LYS 546 HA LYS 546 -4.321 -6.275 8.894 328 HB2 LYS 546 HB2 LYS 546 -3.764 -7.539 10.917 329 HB3 LYS 546 HB3 LYS 546 -2.113 -6.936 10.854 330 HG2 LYS 546 HG2 LYS 546 -2.954 -4.650 11.167 331 HG3 LYS 546 HG3 LYS 546 -4.594 -5.288 11.282 332 HD2 LYS 546 HD2 LYS 546 -2.313 -5.984 13.129 333 HD3 LYS 546 HD3 LYS 546 -3.611 -4.846 13.491 334 HE2 LYS 546 HE2 LYS 546 -5.234 -6.717 13.154 335 HE3 LYS 546 HE3 LYS 546 -3.858 -7.811 13.018 336 HZ1 LYS 546 HZ1 LYS 546 -4.443 -6.109 15.375 337 HZ2 LYS 546 HZ2 LYS 546 -3.196 -7.241 15.244 338 HZ3 LYS 546 HZ3 LYS 546 -4.805 -7.754 15.259 339 H VAL 547 HN VAL 547 -4.090 -4.187 8.438 340 HA VAL 547 HA VAL 547 -1.528 -3.174 7.533 341 HB VAL 547 HB VAL 547 -4.311 -2.003 7.508 342 HG11 VAL 547 HG11 VAL 547 -2.571 -0.244 7.688 343 HG12 VAL 547 HG12 VAL 547 -3.479 -0.190 6.178 344 HG13 VAL 547 HG13 VAL 547 -1.846 -0.863 6.202 345 HG21 VAL 547 HG21 VAL 547 -4.116 -3.804 5.969 346 HG22 VAL 547 HG22 VAL 547 -2.567 -3.208 5.377 347 HG23 VAL 547 HG23 VAL 547 -4.045 -2.307 5.042 348 H THR 548 HN THR 548 -0.182 -2.274 8.968 349 HA THR 548 HA THR 548 -1.257 -1.039 11.373 350 HB THR 548 HB THR 548 1.202 -0.827 11.978 351 HG1 THR 548 HG1 THR 548 2.465 -1.143 10.283 352 HG21 THR 548 HG21 THR 548 1.420 -3.221 12.510 353 HG22 THR 548 HG22 THR 548 0.077 -3.572 11.421 354 HG23 THR 548 HG23 THR 548 -0.193 -2.607 12.871 355 H ASN 549 HN ASN 549 0.451 -0.150 8.447 356 HA ASN 549 HA ASN 549 0.031 2.682 9.095 357 HB2 ASN 549 HB2 ASN 549 2.685 1.447 8.339 358 HB3 ASN 549 HB3 ASN 549 2.346 3.145 8.068 359 HD21 ASN 549 HD21 ASN 549 3.964 3.819 9.410 360 HD22 ASN 549 HD22 ASN 549 3.892 3.664 11.126 361 H TYR 550 HN TYR 550 -0.116 4.040 7.304 362 HA TYR 550 HA TYR 550 0.212 3.010 4.636 363 HB2 TYR 550 HB2 TYR 550 -2.155 3.434 3.990 364 HB3 TYR 550 HB3 TYR 550 -1.980 2.101 5.126 365 HD1 TYR 550 HD1 TYR 550 -3.812 4.982 4.382 366 HD2 TYR 550 HD2 TYR 550 -2.233 2.807 7.678 367 HE1 TYR 550 HE1 TYR 550 -5.455 6.040 5.878 368 HE2 TYR 550 HE2 TYR 550 -3.879 3.852 9.171 369 HH TYR 550 HH TYR 550 -5.356 5.636 9.333 370 H ILE 551 HN ILE 551 0.049 4.677 3.026 371 HA ILE 551 HA ILE 551 -0.080 7.436 3.994 372 HB ILE 551 HB ILE 551 2.301 6.282 2.527 373 HG12 ILE 551 HG12 ILE 551 2.153 7.383 5.345 374 HG13 ILE 551 HG13 ILE 551 2.234 5.674 4.938 375 HG21 ILE 551 HG21 ILE 551 1.830 8.544 1.823 376 HG22 ILE 551 HG22 ILE 551 3.296 8.510 2.804 377 HG23 ILE 551 HG23 ILE 551 1.782 9.083 3.502 378 HD11 ILE 551 HD11 ILE 551 4.392 6.538 5.635 379 HD12 ILE 551 HD12 ILE 551 4.347 7.723 4.330 380 HD13 ILE 551 HD13 ILE 551 4.431 6.001 3.956 381 H LEU 552 HN LEU 552 -1.156 8.633 2.430 382 HA LEU 552 HA LEU 552 -1.349 7.370 -0.215 383 HB2 LEU 552 HB2 LEU 552 -3.316 9.130 1.226 384 HB3 LEU 552 HB1 LEU 552 -3.445 8.724 -0.474 385 HG LEU 552 HG LEU 552 -3.713 6.901 1.897 386 HD11 LEU 552 HD11 LEU 552 -5.526 7.562 -0.409 387 HD12 LEU 552 HD12 LEU 552 -5.637 8.248 1.211 388 HD13 LEU 552 HD13 LEU 552 -5.906 6.525 0.964 389 HD21 LEU 552 HD21 LEU 552 -2.369 5.738 0.225 390 HD22 LEU 552 HD22 LEU 552 -3.555 6.138 -1.019 391 HD23 LEU 552 HD23 LEU 552 -3.995 5.065 0.311 392 H MET 553 HN MET 553 -0.307 8.442 -1.809 393 HA MET 553 HA MET 553 0.181 11.312 -1.326 394 HB2 MET 553 HB2 MET 553 1.793 9.414 -3.046 395 HB3 MET 553 HB3 MET 553 2.114 11.129 -2.839 396 HG2 MET 553 HG2 MET 553 2.510 10.734 -0.439 397 HG3 MET 553 HG3 MET 553 2.273 9.008 -0.711 398 HE1 MET 553 HE1 MET 553 5.264 8.189 -3.131 399 HE2 MET 553 HE2 MET 553 3.685 8.767 -3.657 400 HE3 MET 553 HE3 MET 553 3.799 7.577 -2.361 401 H LYS 554 HN LYS 554 -1.990 11.549 -2.164 402 HA LYS 554 HA LYS 554 -2.884 11.149 -4.656 403 HB2 LYS 554 HB2 LYS 554 -3.205 13.880 -3.473 404 HB3 LYS 554 HB3 LYS 554 -4.379 12.903 -4.342 405 HG2 LYS 554 HG2 LYS 554 -3.407 12.491 -1.522 406 HG3 LYS 554 HG3 LYS 554 -5.006 13.021 -2.032 407 HD2 LYS 554 HD2 LYS 554 -5.339 10.835 -3.132 408 HD3 LYS 554 HD3 LYS 554 -3.764 10.309 -2.524 409 HE2 LYS 554 HE2 LYS 554 -5.431 9.458 -1.050 410 HE3 LYS 554 HE3 LYS 554 -4.591 10.761 -0.214 411 HZ1 LYS 554 HZ1 LYS 554 -6.443 12.236 -0.755 412 HZ2 LYS 554 HZ2 LYS 554 -6.970 10.895 0.129 413 HZ3 LYS 554 HZ3 LYS 554 -7.246 10.966 -1.536 414 H SER 555 HN SER 555 -0.178 13.197 -3.862 415 HA SER 555 HA SER 555 -0.405 14.953 -6.093 416 HB2 SER 555 HB2 SER 555 1.915 15.588 -5.439 417 HB3 SER 555 HB3 SER 555 0.783 15.636 -4.088 418 HG SER 555 HG SER 555 2.997 14.466 -3.967 419 H THR 556 HN THR 556 1.471 12.021 -5.380 420 HA THR 556 HA THR 556 2.560 12.064 -8.083 421 HB THR 556 HB THR 556 4.003 10.192 -7.252 422 HG1 THR 556 HG1 THR 556 3.843 10.487 -4.676 423 HG21 THR 556 HG21 THR 556 5.406 11.613 -5.823 424 HG22 THR 556 HG22 THR 556 4.069 12.751 -5.651 425 HG23 THR 556 HG23 THR 556 4.810 12.494 -7.231 426 H ASN 557 HN ASN 557 -0.173 10.942 -6.774 427 HA ASN 557 HA ASN 557 -1.676 9.292 -7.204 428 HB2 ASN 557 HB2 ASN 557 -0.050 9.064 -9.750 429 HB3 ASN 557 HB3 ASN 557 -1.582 8.240 -9.480 430 HD21 ASN 557 HD21 ASN 557 -0.027 11.306 -9.994 431 HD22 ASN 557 HD22 ASN 557 -1.461 12.198 -10.369 432 H GLN 558 HN GLN 558 0.396 8.672 -5.561 433 HA GLN 558 HA GLN 558 0.752 5.793 -5.973 434 HB2 GLN 558 HB2 GLN 558 2.980 7.699 -5.218 435 HB3 GLN 558 HB3 GLN 558 3.109 5.946 -5.259 436 HG2 GLN 558 HG2 GLN 558 2.853 5.916 -7.629 437 HG3 GLN 558 HG3 GLN 558 2.461 7.637 -7.659 438 HE21 GLN 558 HE21 GLN 558 4.150 8.129 -9.048 439 HE22 GLN 558 HE22 GLN 558 5.801 8.106 -8.537 440 H ALA 559 HN ALA 559 1.472 4.735 -3.855 441 HA ALA 559 HA ALA 559 0.967 6.289 -1.482 442 HB1 ALA 559 HB1 ALA 559 -1.290 5.886 -2.188 443 HB2 ALA 559 HB2 ALA 559 -0.939 4.881 -0.774 444 HB3 ALA 559 HB3 ALA 559 -0.959 4.163 -2.393 445 H PHE 560 HN PHE 560 1.173 4.979 0.465 446 HA PHE 560 HA PHE 560 2.802 2.544 0.045 447 HB2 PHE 560 HB2 PHE 560 3.090 4.640 2.197 448 HB3 PHE 560 HB3 PHE 560 3.919 3.093 2.224 449 HD1 PHE 560 HD1 PHE 560 5.827 2.694 0.880 450 HD2 PHE 560 HD2 PHE 560 3.643 6.316 0.484 451 HE1 PHE 560 HE1 PHE 560 7.649 3.637 -0.477 452 HE2 PHE 560 HE2 PHE 560 5.458 7.271 -0.870 453 HZ PHE 560 HZ PHE 560 7.501 5.949 -1.290 454 H LEU 561 HN LEU 561 2.580 0.845 1.483 455 HA LEU 561 HA LEU 561 0.375 0.947 3.403 456 HB2 LEU 561 HB2 LEU 561 -0.557 0.216 1.244 457 HB3 LEU 561 HB1 LEU 561 0.648 -1.050 1.148 458 HG LEU 561 HG LEU 561 -0.366 -2.095 3.177 459 HD11 LEU 561 HD11 LEU 561 -2.617 -1.366 3.828 460 HD12 LEU 561 HD12 LEU 561 -2.479 0.013 2.737 461 HD13 LEU 561 HD13 LEU 561 -1.409 -0.118 4.133 462 HD21 LEU 561 HD21 LEU 561 -0.907 -2.783 0.851 463 HD22 LEU 561 HD22 LEU 561 -2.284 -1.679 0.882 464 HD23 LEU 561 HD23 LEU 561 -2.230 -3.051 1.985 465 H GLU 562 HN GLU 562 1.298 0.249 5.247 466 HA GLU 562 HA GLU 562 3.300 -1.890 5.075 467 HB2 GLU 562 HB2 GLU 562 3.982 -0.007 6.465 468 HB3 GLU 562 HB3 GLU 562 2.546 -0.208 7.466 469 HG2 GLU 562 HG2 GLU 562 3.312 -2.435 8.123 470 HG3 GLU 562 HG3 GLU 562 4.754 -2.227 7.140 471 H MET 563 HN MET 563 2.937 -3.865 5.627 472 HA MET 563 HA MET 563 0.414 -4.553 6.940 473 HB2 MET 563 HB2 MET 563 2.368 -6.397 5.559 474 HB3 MET 563 HB3 MET 563 0.718 -6.763 6.043 475 HG2 MET 563 HG2 MET 563 0.412 -6.398 3.817 476 HG3 MET 563 HG3 MET 563 0.152 -4.771 4.431 477 HE1 MET 563 HE1 MET 563 1.837 -3.885 1.123 478 HE2 MET 563 HE2 MET 563 0.399 -3.788 2.133 479 HE3 MET 563 HE3 MET 563 0.807 -5.302 1.323 480 H ALA 564 HN ALA 564 0.436 -5.938 8.728 481 HA ALA 564 HA ALA 564 2.432 -5.232 10.613 482 HB1 ALA 564 HB1 ALA 564 0.079 -5.625 11.211 483 HB2 ALA 564 HB2 ALA 564 1.188 -6.582 12.192 484 HB3 ALA 564 HB3 ALA 564 0.296 -7.342 10.875 485 H TYR 565 HN TYR 565 2.290 -7.711 8.344 486 HA TYR 565 HA TYR 565 4.567 -9.070 9.570 487 HB2 TYR 565 HB2 TYR 565 2.164 -10.508 8.408 488 HB3 TYR 565 HB3 TYR 565 3.619 -11.265 9.039 489 HD1 TYR 565 HD1 TYR 565 0.486 -9.579 9.907 490 HD2 TYR 565 HD2 TYR 565 3.999 -11.432 11.431 491 HE1 TYR 565 HE1 TYR 565 -0.543 -9.686 12.137 492 HE2 TYR 565 HE2 TYR 565 2.976 -11.543 13.663 493 HH TYR 565 HH TYR 565 -0.335 -10.942 14.207 494 H THR 566 HN THR 566 6.064 -9.714 8.097 495 HA THR 566 HA THR 566 6.035 -8.451 5.567 496 HB THR 566 HB THR 566 8.140 -8.939 6.781 497 HG1 THR 566 HG1 THR 566 8.054 -10.141 4.195 498 HG21 THR 566 HG21 THR 566 7.615 -11.787 5.923 499 HG22 THR 566 HG22 THR 566 7.700 -11.182 7.577 500 HG23 THR 566 HG23 THR 566 9.143 -11.189 6.566 501 H GLU 567 HN GLU 567 5.082 -11.614 6.618 502 HA GLU 567 HA GLU 567 4.977 -13.031 4.233 503 HB2 GLU 567 HB2 GLU 567 2.993 -14.202 5.300 504 HB3 GLU 567 HB3 GLU 567 4.478 -14.183 6.247 505 HG2 GLU 567 HG2 GLU 567 3.654 -12.608 7.739 506 HG3 GLU 567 HG3 GLU 567 2.357 -12.099 6.657 507 H ALA 568 HN ALA 568 2.918 -10.476 5.413 508 HA ALA 568 HA ALA 568 0.740 -11.014 3.620 509 HB1 ALA 568 HB1 ALA 568 0.290 -9.919 5.725 510 HB2 ALA 568 HB2 ALA 568 -0.135 -8.839 4.393 511 HB3 ALA 568 HB3 ALA 568 1.361 -8.587 5.294 512 H ALA 569 HN ALA 569 3.477 -8.788 3.710 513 HA ALA 569 HA ALA 569 2.704 -7.204 1.509 514 HB1 ALA 569 HB1 ALA 569 4.332 -6.450 3.154 515 HB2 ALA 569 HB2 ALA 569 5.027 -6.421 1.534 516 HB3 ALA 569 HB3 ALA 569 5.447 -7.720 2.649 517 H GLN 570 HN GLN 570 4.857 -10.003 1.808 518 HA GLN 570 HA GLN 570 5.607 -10.013 -0.925 519 HB2 GLN 570 HB2 GLN 570 6.491 -12.286 -0.457 520 HB3 GLN 570 HB3 GLN 570 7.046 -11.072 0.686 521 HG2 GLN 570 HG2 GLN 570 5.287 -11.857 2.263 522 HG3 GLN 570 HG3 GLN 570 4.932 -13.162 1.132 523 HE21 GLN 570 HE21 GLN 570 6.416 -14.824 0.865 524 HE22 GLN 570 HE22 GLN 570 7.715 -15.088 1.974 525 H ALA 571 HN ALA 571 3.041 -11.586 0.890 526 HA ALA 571 HA ALA 571 2.127 -13.325 -1.123 527 HB1 ALA 571 HB1 ALA 571 0.527 -11.975 1.049 528 HB2 ALA 571 HB2 ALA 571 1.419 -13.486 1.218 529 HB3 ALA 571 HB3 ALA 571 0.036 -13.396 0.126 530 H MET 572 HN MET 572 1.339 -9.952 -0.379 531 HA MET 572 HA MET 572 -0.727 -9.684 -2.286 532 HB2 MET 572 HB2 MET 572 1.090 -7.536 -1.183 533 HB3 MET 572 HB3 MET 572 -0.426 -7.265 -2.033 534 HG2 MET 572 HG2 MET 572 -1.585 -8.520 -0.237 535 HG3 MET 572 HG3 MET 572 -0.052 -8.595 0.629 536 HE1 MET 572 HE1 MET 572 -0.739 -7.640 2.672 537 HE2 MET 572 HE2 MET 572 -2.431 -7.316 2.280 538 HE3 MET 572 HE3 MET 572 -1.421 -6.037 2.947 539 H VAL 573 HN VAL 573 2.766 -9.017 -2.454 540 HA VAL 573 HA VAL 573 2.780 -7.895 -5.015 541 HB VAL 573 HB VAL 573 4.948 -9.600 -3.765 542 HG11 VAL 573 HG11 VAL 573 5.261 -9.328 -6.172 543 HG12 VAL 573 HG12 VAL 573 6.467 -8.400 -5.278 544 HG13 VAL 573 HG13 VAL 573 5.087 -7.581 -6.008 545 HG21 VAL 573 HG21 VAL 573 5.942 -7.409 -3.135 546 HG22 VAL 573 HG22 VAL 573 4.427 -7.765 -2.308 547 HG23 VAL 573 HG23 VAL 573 4.450 -6.630 -3.657 548 H GLN 574 HN GLN 574 3.124 -11.273 -3.982 549 HA GLN 574 HA GLN 574 3.469 -12.389 -6.531 550 HB2 GLN 574 HB2 GLN 574 2.276 -13.550 -4.011 551 HB3 GLN 574 HB3 GLN 574 2.633 -14.497 -5.449 552 HG2 GLN 574 HG2 GLN 574 4.962 -14.112 -5.232 553 HG3 GLN 574 HG3 GLN 574 4.706 -12.892 -3.985 554 HE21 GLN 574 HE21 GLN 574 4.187 -13.534 -1.914 555 HE22 GLN 574 HE22 GLN 574 4.401 -15.152 -1.361 556 H TYR 575 HN TYR 575 0.582 -11.625 -4.686 557 HA TYR 575 HA TYR 575 -1.246 -12.864 -6.484 558 HB2 TYR 575 HB2 TYR 575 -1.894 -12.458 -4.187 559 HB3 TYR 575 HB3 TYR 575 -1.677 -10.725 -4.391 560 HD1 TYR 575 HD1 TYR 575 -3.532 -9.428 -4.850 561 HD2 TYR 575 HD2 TYR 575 -3.638 -13.565 -5.821 562 HE1 TYR 575 HE1 TYR 575 -5.892 -9.208 -5.498 563 HE2 TYR 575 HE2 TYR 575 -6.001 -13.359 -6.472 564 HH TYR 575 HH TYR 575 -7.516 -10.405 -6.985 565 H TYR 576 HN TYR 576 -0.342 -9.453 -5.960 566 HA TYR 576 HA TYR 576 -1.947 -8.580 -8.144 567 HB2 TYR 576 HB2 TYR 576 0.076 -7.123 -6.452 568 HB3 TYR 576 HB3 TYR 576 -0.909 -6.345 -7.693 569 HD1 TYR 576 HD1 TYR 576 -3.492 -6.814 -7.497 570 HD2 TYR 576 HD2 TYR 576 -0.745 -7.170 -4.274 571 HE1 TYR 576 HE1 TYR 576 -5.345 -6.599 -5.901 572 HE2 TYR 576 HE2 TYR 576 -2.592 -6.947 -2.667 573 HH TYR 576 HH TYR 576 -5.853 -7.191 -3.585 574 H GLN 577 HN GLN 577 1.269 -9.762 -8.034 575 HA GLN 577 HA GLN 577 2.142 -8.608 -10.491 576 HB2 GLN 577 HB2 GLN 577 2.901 -11.170 -9.086 577 HB3 GLN 577 HB3 GLN 577 3.602 -10.704 -10.626 578 HG2 GLN 577 HG2 GLN 577 3.735 -8.996 -8.157 579 HG3 GLN 577 HG3 GLN 577 4.972 -10.167 -8.604 580 HE21 GLN 577 HE21 GLN 577 6.318 -9.742 -10.315 581 HE22 GLN 577 HE22 GLN 577 6.438 -8.183 -11.049 582 H GLU 578 HN GLU 578 0.338 -11.499 -9.618 583 HA GLU 578 HA GLU 578 0.004 -12.306 -12.374 584 HB2 GLU 578 HB2 GLU 578 -1.345 -13.402 -9.901 585 HB3 GLU 578 HB3 GLU 578 -1.240 -14.179 -11.474 586 HG2 GLU 578 HG2 GLU 578 1.056 -13.603 -9.616 587 HG3 GLU 578 HG3 GLU 578 0.316 -15.174 -9.910 588 H LYS 579 HN LYS 579 -2.002 -10.882 -9.810 589 HA LYS 579 HA LYS 579 -3.887 -9.991 -11.874 590 HB2 LYS 579 HB2 LYS 579 -4.532 -11.349 -9.266 591 HB3 LYS 579 HB3 LYS 579 -5.684 -10.299 -10.070 592 HG2 LYS 579 HG2 LYS 579 -5.522 -11.782 -12.070 593 HG3 LYS 579 HG3 LYS 579 -4.544 -12.883 -11.096 594 HD2 LYS 579 HD2 LYS 579 -6.844 -13.624 -11.064 595 HD3 LYS 579 HD3 LYS 579 -6.402 -13.024 -9.464 596 HE2 LYS 579 HE2 LYS 579 -8.591 -12.203 -9.999 597 HE3 LYS 579 HE3 LYS 579 -7.470 -10.848 -10.051 598 HZ1 LYS 579 HZ1 LYS 579 -8.502 -12.339 -12.398 599 HZ2 LYS 579 HZ2 LYS 579 -7.410 -11.053 -12.464 600 HZ3 LYS 579 HZ3 LYS 579 -8.986 -10.793 -11.914 601 HA PRO 580 HA PRO 580 -2.669 -6.329 -9.397 602 HB2 PRO 580 HB2 PRO 580 -3.252 -4.551 -11.376 603 HB3 PRO 580 HB1 PRO 580 -1.703 -5.393 -11.254 604 HG2 PRO 580 HG2 PRO 580 -4.070 -6.028 -12.971 605 HG3 PRO 580 HG3 PRO 580 -2.347 -6.032 -13.394 606 HD2 PRO 580 HD2 PRO 580 -3.692 -8.301 -12.837 607 HD3 PRO 580 HD3 PRO 580 -1.981 -8.092 -12.412 608 H ALA 581 HN ALA 581 -3.977 -4.508 -8.660 609 HA ALA 581 HA ALA 581 -6.785 -5.272 -8.508 610 HB1 ALA 581 HB1 ALA 581 -5.340 -3.068 -7.039 611 HB2 ALA 581 HB2 ALA 581 -5.496 -4.722 -6.454 612 HB3 ALA 581 HB3 ALA 581 -6.933 -3.726 -6.665 613 H ILE 582 HN ILE 582 -8.449 -4.056 -9.298 614 HA ILE 582 HA ILE 582 -7.624 -1.984 -11.198 615 HB ILE 582 HB ILE 582 -10.216 -3.531 -11.065 616 HG12 ILE 582 HG12 ILE 582 -7.848 -3.892 -12.919 617 HG13 ILE 582 HG13 ILE 582 -8.235 -4.948 -11.565 618 HG21 ILE 582 HG21 ILE 582 -9.094 -1.733 -13.208 619 HG22 ILE 582 HG22 ILE 582 -10.456 -1.366 -12.149 620 HG23 ILE 582 HG23 ILE 582 -10.580 -2.673 -13.326 621 HD11 ILE 582 HD11 ILE 582 -9.954 -4.491 -13.991 622 HD12 ILE 582 HD12 ILE 582 -10.336 -5.558 -12.638 623 HD13 ILE 582 HD13 ILE 582 -8.953 -5.909 -13.674 624 H ILE 583 HN ILE 583 -7.883 0.038 -10.572 625 HA ILE 583 HA ILE 583 -10.373 0.763 -9.159 626 HB ILE 583 HB ILE 583 -7.624 1.976 -8.827 627 HG12 ILE 583 HG12 ILE 583 -8.133 -0.040 -7.459 628 HG13 ILE 583 HG13 ILE 583 -7.876 1.403 -6.485 629 HG21 ILE 583 HG21 ILE 583 -10.246 2.995 -7.748 630 HG22 ILE 583 HG22 ILE 583 -9.296 3.743 -9.030 631 HG23 ILE 583 HG23 ILE 583 -8.650 3.654 -7.390 632 HD11 ILE 583 HD11 ILE 583 -10.309 1.660 -6.274 633 HD12 ILE 583 HD12 ILE 583 -9.711 0.143 -5.604 634 HD13 ILE 583 HD13 ILE 583 -10.521 0.156 -7.170 635 H ASN 584 HN ASN 584 -11.641 1.715 -10.620 636 HA ASN 584 HA ASN 584 -12.395 3.112 -12.234 637 HB2 ASN 584 HB2 ASN 584 -9.971 4.706 -11.388 638 HB3 ASN 584 HB3 ASN 584 -11.180 5.298 -12.520 639 HD21 ASN 584 HD21 ASN 584 -11.789 6.984 -11.219 640 HD22 ASN 584 HD22 ASN 584 -12.684 6.768 -9.756 641 H GLY 585 HN GLY 585 -10.851 0.923 -12.985 642 HA2 GLY 585 HA2 GLY 585 -10.226 0.093 -15.049 643 HA3 GLY 585 HA3 GLY 585 -10.132 1.733 -15.662 644 H GLU 586 HN GLU 586 -8.369 1.776 -12.891 645 HA GLU 586 HA GLU 586 -5.909 1.412 -14.434 646 HB2 GLU 586 HB2 GLU 586 -6.467 2.913 -11.879 647 HB3 GLU 586 HB3 GLU 586 -4.861 2.725 -12.570 648 HG2 GLU 586 HG2 GLU 586 -7.176 3.988 -14.012 649 HG3 GLU 586 HG3 GLU 586 -5.969 4.888 -13.093 650 H LYS 587 HN LYS 587 -4.685 -0.255 -14.125 651 HA LYS 587 HA LYS 587 -5.130 -2.103 -11.979 652 HB2 LYS 587 HB2 LYS 587 -3.031 -2.046 -14.146 653 HB3 LYS 587 HB3 LYS 587 -3.324 -3.400 -13.061 654 HG2 LYS 587 HG2 LYS 587 -5.597 -3.611 -13.948 655 HG3 LYS 587 HG3 LYS 587 -5.282 -2.271 -15.051 656 HD2 LYS 587 HD2 LYS 587 -3.499 -3.551 -16.110 657 HD3 LYS 587 HD3 LYS 587 -3.784 -4.887 -14.994 658 HE2 LYS 587 HE2 LYS 587 -6.090 -5.072 -15.873 659 HE3 LYS 587 HE3 LYS 587 -5.716 -3.805 -17.040 660 HZ1 LYS 587 HZ1 LYS 587 -5.499 -5.995 -18.018 661 HZ2 LYS 587 HZ2 LYS 587 -4.359 -6.438 -16.853 662 HZ3 LYS 587 HZ3 LYS 587 -3.995 -5.225 -17.971 663 H LEU 588 HN LEU 588 -4.357 -1.874 -10.035 664 HA LEU 588 HA LEU 588 -2.246 -0.035 -9.413 665 HB2 LEU 588 HB2 LEU 588 -3.590 -2.014 -7.583 666 HB3 LEU 588 HB1 LEU 588 -2.711 -0.571 -7.119 667 HG LEU 588 HG LEU 588 -5.387 -0.695 -8.498 668 HD11 LEU 588 HD11 LEU 588 -6.153 0.426 -6.455 669 HD12 LEU 588 HD12 LEU 588 -4.532 0.276 -5.781 670 HD13 LEU 588 HD13 LEU 588 -5.478 -1.168 -6.134 671 HD21 LEU 588 HD21 LEU 588 -4.094 1.150 -9.403 672 HD22 LEU 588 HD22 LEU 588 -3.725 1.710 -7.772 673 HD23 LEU 588 HD23 LEU 588 -5.387 1.743 -8.363 674 H LEU 589 HN LEU 589 -0.237 -0.462 -8.686 675 HA LEU 589 HA LEU 589 0.656 -3.267 -8.829 676 HB2 LEU 589 HB2 LEU 589 1.652 -1.856 -10.561 677 HB3 LEU 589 HB1 LEU 589 2.232 -0.742 -9.338 678 HG LEU 589 HG LEU 589 3.689 -2.529 -8.437 679 HD11 LEU 589 HD11 LEU 589 4.036 -4.550 -9.779 680 HD12 LEU 589 HD12 LEU 589 2.701 -4.072 -10.826 681 HD13 LEU 589 HD13 LEU 589 2.397 -4.461 -9.134 682 HD21 LEU 589 HD21 LEU 589 5.291 -2.522 -10.292 683 HD22 LEU 589 HD22 LEU 589 4.574 -0.930 -10.045 684 HD23 LEU 589 HD23 LEU 589 4.026 -1.948 -11.377 685 H ILE 590 HN ILE 590 0.833 -4.055 -6.810 686 HA ILE 590 HA ILE 590 1.914 -2.319 -4.703 687 HB ILE 590 HB ILE 590 0.622 -5.050 -4.462 688 HG12 ILE 590 HG12 ILE 590 -0.435 -2.267 -3.953 689 HG13 ILE 590 HG13 ILE 590 -1.060 -3.461 -5.081 690 HG21 ILE 590 HG21 ILE 590 1.497 -3.117 -2.318 691 HG22 ILE 590 HG22 ILE 590 2.247 -4.667 -2.698 692 HG23 ILE 590 HG23 ILE 590 0.609 -4.615 -2.047 693 HD11 ILE 590 HD11 ILE 590 -2.508 -3.290 -3.164 694 HD12 ILE 590 HD12 ILE 590 -1.158 -3.612 -2.071 695 HD13 ILE 590 HD13 ILE 590 -1.723 -4.871 -3.174 696 H ARG 591 HN ARG 591 4.031 -2.447 -4.315 697 HA ARG 591 HA ARG 591 5.387 -5.024 -4.373 698 HB2 ARG 591 HB2 ARG 591 6.212 -2.664 -6.071 699 HB3 ARG 591 HB3 ARG 591 7.317 -3.961 -5.644 700 HG2 ARG 591 HG2 ARG 591 5.786 -5.569 -6.732 701 HG3 ARG 591 HG3 ARG 591 4.782 -4.212 -7.244 702 HD2 ARG 591 HD2 ARG 591 6.691 -3.285 -8.480 703 HD3 ARG 591 HD3 ARG 591 7.672 -4.663 -7.981 704 HE ARG 591 HE ARG 591 5.421 -5.702 -9.212 705 HH11 ARG 591 HH11 ARG 591 8.127 -3.664 -10.111 706 HH12 ARG 591 HH12 ARG 591 8.097 -4.155 -11.776 707 HH21 ARG 591 HH21 ARG 591 5.368 -6.328 -11.393 708 HH22 ARG 591 HH22 ARG 591 6.531 -5.675 -12.507 709 H MET 592 HN MET 592 7.706 -4.706 -3.522 710 HA MET 592 HA MET 592 7.376 -3.222 -1.048 711 HB2 MET 592 HB2 MET 592 9.591 -5.049 -1.984 712 HB3 MET 592 HB3 MET 592 9.535 -4.283 -0.403 713 HG2 MET 592 HG2 MET 592 7.355 -5.448 -0.016 714 HG3 MET 592 HG3 MET 592 7.646 -6.340 -1.509 715 HE1 MET 592 HE1 MET 592 8.365 -9.054 1.209 716 HE2 MET 592 HE2 MET 592 7.473 -8.665 -0.262 717 HE3 MET 592 HE3 MET 592 7.117 -7.810 1.237 718 H SER 593 HN SER 593 8.889 -1.667 -0.270 719 HA SER 593 HA SER 593 9.964 -0.078 -2.468 720 HB2 SER 593 HB2 SER 593 9.622 0.676 0.435 721 HB3 SER 593 HB3 SER 593 10.014 1.764 -0.899 722 HG SER 593 HG SER 593 7.751 0.220 -1.242 723 H THR 594 HN THR 594 11.988 0.487 -2.668 724 HA THR 594 HA THR 594 13.890 -1.355 -1.443 725 HB THR 594 HB THR 594 15.421 -0.577 -3.265 726 HG1 THR 594 HG1 THR 594 14.824 1.258 -4.144 727 HG21 THR 594 HG21 THR 594 14.206 -1.732 -5.056 728 HG22 THR 594 HG22 THR 594 12.710 -1.594 -4.132 729 HG23 THR 594 HG23 THR 594 14.035 -2.583 -3.521 730 H ARG 595 HN ARG 595 12.921 1.763 -0.811 731 HA ARG 595 HA ARG 595 15.654 2.717 -0.315 732 HB2 ARG 595 HB2 ARG 595 13.097 4.280 -0.638 733 HB3 ARG 595 HB3 ARG 595 14.655 4.990 -0.239 734 HG2 ARG 595 HG2 ARG 595 15.528 4.014 -2.380 735 HG3 ARG 595 HG3 ARG 595 13.861 3.594 -2.776 736 HD2 ARG 595 HD2 ARG 595 14.489 5.705 -3.808 737 HD3 ARG 595 HD3 ARG 595 13.228 5.949 -2.600 738 HE ARG 595 HE ARG 595 15.664 6.333 -1.323 739 HH11 ARG 595 HH11 ARG 595 13.864 7.809 -3.934 740 HH12 ARG 595 HH12 ARG 595 14.507 9.398 -3.646 741 HH21 ARG 595 HH21 ARG 595 16.504 8.414 -0.930 742 HH22 ARG 595 HH22 ARG 595 16.015 9.738 -1.938 743 H TYR 596 HN TYR 596 12.644 1.979 1.262 744 HA TYR 596 HA TYR 596 13.759 3.009 3.789 745 HB2 TYR 596 HB2 TYR 596 10.908 3.190 2.817 746 HB3 TYR 596 HB3 TYR 596 11.414 3.562 4.458 747 HD1 TYR 596 HD1 TYR 596 11.293 4.717 1.014 748 HD2 TYR 596 HD2 TYR 596 12.796 5.556 4.905 749 HE1 TYR 596 HE1 TYR 596 11.729 7.039 0.340 750 HE2 TYR 596 HE2 TYR 596 13.239 7.881 4.239 751 HH TYR 596 HH TYR 596 12.005 9.225 1.342 752 H LYS 597 HN LYS 597 13.022 2.016 5.711 753 HA LYS 597 HA LYS 597 12.141 -0.764 5.352 754 HB2 LYS 597 HB2 LYS 597 13.692 0.560 7.566 755 HB3 LYS 597 HB3 LYS 597 13.044 -1.071 7.686 756 HG2 LYS 597 HG2 LYS 597 14.431 -1.800 5.854 757 HG3 LYS 597 HG3 LYS 597 15.000 -0.151 5.584 758 HD2 LYS 597 HD2 LYS 597 15.445 -1.772 8.090 759 HD3 LYS 597 HD3 LYS 597 16.640 -1.496 6.820 760 HE2 LYS 597 HE2 LYS 597 16.550 0.903 7.244 761 HE3 LYS 597 HE3 LYS 597 15.328 0.649 8.485 762 HZ1 LYS 597 HZ1 LYS 597 18.101 -0.404 8.571 763 HZ2 LYS 597 HZ2 LYS 597 16.927 -0.604 9.771 764 HZ3 LYS 597 HZ3 LYS 597 17.534 0.936 9.430 765 H GLU 598 HN GLU 598 11.227 2.301 6.742 766 HA GLU 598 HA GLU 598 8.855 0.989 7.859 767 HB2 GLU 598 HB2 GLU 598 10.480 1.231 9.687 768 HB3 GLU 598 HB3 GLU 598 10.615 2.949 9.347 769 HG2 GLU 598 HG2 GLU 598 8.206 3.188 9.900 770 HG3 GLU 598 HG3 GLU 598 8.199 1.492 10.386 771 H LEU 599 HN LEU 599 7.037 2.227 7.916 772 HA LEU 599 HA LEU 599 7.035 4.687 6.364 773 HB2 LEU 599 HB2 LEU 599 4.722 3.192 7.602 774 HB3 LEU 599 HB1 LEU 599 4.593 4.527 6.479 775 HG LEU 599 HG LEU 599 5.645 1.764 5.887 776 HD11 LEU 599 HD11 LEU 599 3.239 3.278 4.897 777 HD12 LEU 599 HD12 LEU 599 3.223 1.919 6.024 778 HD13 LEU 599 HD13 LEU 599 3.748 1.678 4.356 779 HD21 LEU 599 HD21 LEU 599 6.980 3.218 4.593 780 HD22 LEU 599 HD22 LEU 599 5.605 4.256 4.213 781 HD23 LEU 599 HD23 LEU 599 5.701 2.634 3.529 782 H GLN 600 HN GLN 600 7.005 6.660 7.202 783 HA GLN 600 HA GLN 600 6.589 6.976 10.069 784 HB2 GLN 600 HB2 GLN 600 8.616 7.947 9.053 785 HB3 GLN 600 HB3 GLN 600 7.609 8.942 8.012 786 HG2 GLN 600 HG2 GLN 600 6.747 10.137 9.915 787 HG3 GLN 600 HG3 GLN 600 7.632 9.080 11.017 788 HE21 GLN 600 HE21 GLN 600 7.765 11.976 10.673 789 HE22 GLN 600 HE22 GLN 600 9.420 12.331 10.309 790 H LEU 601 HN LEU 601 4.571 7.324 10.680 791 HA LEU 601 HA LEU 601 2.591 8.342 8.880 792 HB2 LEU 601 HB2 LEU 601 2.459 7.720 11.828 793 HB3 LEU 601 HB1 LEU 601 1.079 8.199 10.859 794 HG LEU 601 HG LEU 601 2.713 5.684 10.507 795 HD11 LEU 601 HD11 LEU 601 0.667 4.553 11.207 796 HD12 LEU 601 HD12 LEU 601 -0.113 6.114 11.462 797 HD13 LEU 601 HD13 LEU 601 1.260 5.642 12.462 798 HD21 LEU 601 HD21 LEU 601 0.976 5.080 8.849 799 HD22 LEU 601 HD22 LEU 601 1.958 6.458 8.350 800 HD23 LEU 601 HD23 LEU 601 0.328 6.717 8.974 801 H LYS 602 HN LYS 602 3.329 10.382 8.333 802 HA LYS 602 HA LYS 602 3.659 12.458 10.274 803 HB2 LYS 602 HB2 LYS 602 3.289 12.530 7.277 804 HB3 LYS 602 HB3 LYS 602 3.603 13.954 8.255 805 HG2 LYS 602 HG2 LYS 602 5.737 12.991 8.956 806 HG3 LYS 602 HG3 LYS 602 5.427 11.589 7.932 807 HD2 LYS 602 HD2 LYS 602 5.517 12.896 5.961 808 HD3 LYS 602 HD3 LYS 602 5.453 14.403 6.873 809 HE2 LYS 602 HE2 LYS 602 7.710 12.421 7.030 810 HE3 LYS 602 HE3 LYS 602 7.706 13.834 5.978 811 HZ1 LYS 602 HZ1 LYS 602 7.519 15.243 7.930 812 HZ2 LYS 602 HZ2 LYS 602 8.895 14.269 8.031 813 HZ3 LYS 602 HZ3 LYS 602 7.522 13.889 8.944 814 H LYS 603 HN LYS 603 0.987 10.928 8.910 815 HA LYS 603 HA LYS 603 -0.746 13.244 9.441 816 HB2 LYS 603 HB2 LYS 603 -1.102 10.952 7.499 817 HB3 LYS 603 HB3 LYS 603 -2.352 12.136 7.857 818 HG2 LYS 603 HG2 LYS 603 0.344 12.709 6.641 819 HG3 LYS 603 HG3 LYS 603 -1.208 12.707 5.801 820 HD2 LYS 603 HD2 LYS 603 -1.974 14.553 7.213 821 HD3 LYS 603 HD3 LYS 603 -0.430 14.548 8.064 822 HE2 LYS 603 HE2 LYS 603 0.712 15.087 5.956 823 HE3 LYS 603 HE3 LYS 603 -0.850 15.139 5.137 824 HZ1 LYS 603 HZ1 LYS 603 -1.509 16.959 6.571 825 HZ2 LYS 603 HZ2 LYS 603 -0.082 17.349 5.755 826 HZ3 LYS 603 HZ3 LYS 603 -0.026 16.900 7.383 827 HA PRO 604 HA PRO 604 -2.758 11.004 12.638 828 HB2 PRO 604 HB2 PRO 604 -5.290 11.950 12.475 829 HB3 PRO 604 HB1 PRO 604 -3.939 12.933 13.052 830 HG2 PRO 604 HG2 PRO 604 -5.215 12.872 10.344 831 HG3 PRO 604 HG3 PRO 604 -4.713 14.271 11.313 832 HD2 PRO 604 HD2 PRO 604 -3.220 13.300 9.276 833 HD3 PRO 604 HD3 PRO 604 -2.502 14.054 10.711 834 H GLY 605 HN GLY 605 -2.402 9.145 10.897 835 HA2 GLY 605 HA2 GLY 605 -4.375 7.961 9.442 836 HA3 GLY 605 HA3 GLY 605 -3.160 7.065 10.339 837 H LYS 606 HN LYS 606 -6.372 7.621 9.938 838 HA LYS 606 HA LYS 606 -7.438 7.329 12.525 839 HB2 LYS 606 HB2 LYS 606 -8.629 6.456 9.891 840 HB3 LYS 606 HB3 LYS 606 -9.511 6.731 11.386 841 HG2 LYS 606 HG2 LYS 606 -8.937 9.089 11.319 842 HG3 LYS 606 HG3 LYS 606 -7.996 8.831 9.852 843 HD2 LYS 606 HD2 LYS 606 -10.189 9.759 9.333 844 HD3 LYS 606 HD3 LYS 606 -10.024 8.131 8.674 845 HE2 LYS 606 HE2 LYS 606 -12.214 8.463 9.699 846 HE3 LYS 606 HE3 LYS 606 -11.289 7.227 10.546 847 HZ1 LYS 606 HZ1 LYS 606 -11.705 10.038 11.405 848 HZ2 LYS 606 HZ2 LYS 606 -10.678 8.947 12.189 849 HZ3 LYS 606 HZ3 LYS 606 -12.340 8.649 12.132 850 H ASN 607 HN ASN 607 -8.767 5.379 13.212 851 HA ASN 607 HA ASN 607 -7.074 3.183 13.578 852 HB2 ASN 607 HB2 ASN 607 -8.937 3.859 15.099 853 HB3 ASN 607 HB3 ASN 607 -10.082 3.265 13.903 854 HD21 ASN 607 HD21 ASN 607 -10.929 1.753 15.323 855 HD22 ASN 607 HD22 ASN 607 -10.060 0.327 15.786 856 H VAL 608 HN VAL 608 -6.600 1.557 12.293 857 HA VAL 608 HA VAL 608 -7.820 1.383 9.707 858 HB VAL 608 HB VAL 608 -5.637 -0.298 10.955 859 HG11 VAL 608 HG11 VAL 608 -5.033 -0.821 8.610 860 HG12 VAL 608 HG12 VAL 608 -6.531 -0.046 8.095 861 HG13 VAL 608 HG13 VAL 608 -6.590 -1.490 9.103 862 HG21 VAL 608 HG21 VAL 608 -4.105 1.124 9.694 863 HG22 VAL 608 HG22 VAL 608 -5.066 2.076 10.824 864 HG23 VAL 608 HG23 VAL 608 -5.465 2.084 9.106 865 H ALA 609 HN ALA 609 -8.226 -0.244 12.711 866 HA ALA 609 HA ALA 609 -9.266 -2.704 11.882 867 HB1 ALA 609 HB1 ALA 609 -8.735 -2.179 14.216 868 HB2 ALA 609 HB2 ALA 609 -10.380 -2.791 14.048 869 HB3 ALA 609 HB3 ALA 609 -10.101 -1.064 14.274 870 H ALA 610 HN ALA 610 -10.767 0.468 12.102 871 HA ALA 610 HA ALA 610 -13.436 -0.322 11.662 872 HB1 ALA 610 HB1 ALA 610 -12.124 2.283 10.901 873 HB2 ALA 610 HB2 ALA 610 -12.779 1.904 12.490 874 HB3 ALA 610 HB3 ALA 610 -13.853 1.996 11.096 875 H ILE 611 HN ILE 611 -10.723 0.135 9.557 876 HA ILE 611 HA ILE 611 -12.187 0.296 7.121 877 HB ILE 611 HB ILE 611 -9.285 -0.455 7.600 878 HG12 ILE 611 HG12 ILE 611 -10.563 2.180 6.815 879 HG13 ILE 611 HG13 ILE 611 -9.955 1.796 8.421 880 HG21 ILE 611 HG21 ILE 611 -8.940 0.096 5.259 881 HG22 ILE 611 HG22 ILE 611 -10.661 0.439 5.065 882 HG23 ILE 611 HG23 ILE 611 -10.124 -1.205 5.411 883 HD11 ILE 611 HD11 ILE 611 -7.701 1.531 7.464 884 HD12 ILE 611 HD12 ILE 611 -8.367 3.150 7.244 885 HD13 ILE 611 HD13 ILE 611 -8.344 2.015 5.895 886 H ILE 612 HN ILE 612 -10.819 -2.322 9.047 887 HA ILE 612 HA ILE 612 -11.313 -4.474 7.310 888 HB ILE 612 HB ILE 612 -11.662 -4.507 10.322 889 HG12 ILE 612 HG12 ILE 612 -9.144 -5.055 8.740 890 HG13 ILE 612 HG13 ILE 612 -9.460 -3.554 9.602 891 HG21 ILE 612 HG21 ILE 612 -11.068 -6.873 10.126 892 HG22 ILE 612 HG22 ILE 612 -10.964 -6.703 8.375 893 HG23 ILE 612 HG23 ILE 612 -12.514 -6.492 9.190 894 HD11 ILE 612 HD11 ILE 612 -8.015 -4.991 10.890 895 HD12 ILE 612 HD12 ILE 612 -9.204 -6.292 10.817 896 HD13 ILE 612 HD13 ILE 612 -9.570 -4.813 11.703 897 H GLN 613 HN GLN 613 -13.379 -2.764 9.606 898 HA GLN 613 HA GLN 613 -15.697 -4.358 9.313 899 HB2 GLN 613 HB2 GLN 613 -15.549 -1.396 9.905 900 HB3 GLN 613 HB3 GLN 613 -16.902 -2.462 10.259 901 HG2 GLN 613 HG2 GLN 613 -15.546 -3.676 11.866 902 HG3 GLN 613 HG3 GLN 613 -14.156 -2.665 11.479 903 HE21 GLN 613 HE21 GLN 613 -15.893 -0.281 11.226 904 HE22 GLN 613 HE22 GLN 613 -16.259 0.192 12.840 905 H ASP 614 HN ASP 614 -14.374 -1.690 7.537 906 HA ASP 614 HA ASP 614 -16.583 -1.174 5.830 907 HB2 ASP 614 HB2 ASP 614 -13.668 -0.518 5.701 908 HB3 ASP 614 HB3 ASP 614 -14.644 -0.321 4.249 909 H ILE 615 HN ILE 615 -13.777 -3.303 5.533 910 HA ILE 615 HA ILE 615 -14.331 -4.261 2.943 911 HB ILE 615 HB ILE 615 -12.960 -5.696 5.227 912 HG12 ILE 615 HG12 ILE 615 -11.829 -4.121 2.907 913 HG13 ILE 615 HG13 ILE 615 -11.913 -3.563 4.576 914 HG21 ILE 615 HG21 ILE 615 -13.732 -7.240 3.483 915 HG22 ILE 615 HG22 ILE 615 -11.973 -7.125 3.515 916 HG23 ILE 615 HG23 ILE 615 -12.890 -6.281 2.267 917 HD11 ILE 615 HD11 ILE 615 -9.701 -4.306 4.096 918 HD12 ILE 615 HD12 ILE 615 -10.298 -5.862 3.520 919 HD13 ILE 615 HD13 ILE 615 -10.447 -5.436 5.226 920 H HIS 616 HN HIS 616 -15.526 -5.155 6.110 921 HA HIS 616 HA HIS 616 -16.731 -7.600 5.390 922 HB2 HIS 616 HB2 HIS 616 -17.343 -5.660 7.622 923 HB3 HIS 616 HB3 HIS 616 -18.141 -7.219 7.454 924 HD1 HIS 616 HD1 HIS 616 -16.700 -6.911 9.992 925 HD2 HIS 616 HD2 HIS 616 -14.760 -8.190 6.546 926 HE1 HIS 616 HE1 HIS 616 -14.650 -8.137 10.782 927 HE2 HIS 616 HE2 HIS 616 -13.625 -9.089 8.686 928 H SER 617 HN SER 617 -17.944 -4.267 5.376 929 HA SER 617 HA SER 617 -20.547 -5.023 4.489 930 HB2 SER 617 HB2 SER 617 -20.509 -2.435 3.871 931 HB3 SER 617 HB3 SER 617 -20.676 -2.989 5.536 932 HG SER 617 HG SER 617 -18.539 -1.741 4.277 933 H GLN 618 HN GLN 618 -17.554 -4.054 2.947 934 HA GLN 618 HA GLN 618 -18.616 -3.726 0.328 935 HB2 GLN 618 HB2 GLN 618 -15.806 -4.331 1.266 936 HB3 GLN 618 HB3 GLN 618 -16.230 -3.968 -0.399 937 HG2 GLN 618 HG2 GLN 618 -16.611 -2.123 1.946 938 HG3 GLN 618 HG3 GLN 618 -15.308 -2.031 0.763 939 HE21 GLN 618 HE21 GLN 618 -17.341 -0.072 1.458 940 HE22 GLN 618 HE22 GLN 618 -18.174 0.293 -0.013 941 H ARG 619 HN ARG 619 -17.366 -6.472 2.130 942 HA ARG 619 HA ARG 619 -17.293 -8.699 1.703 943 HB2 ARG 619 HB2 ARG 619 -19.505 -7.904 -0.187 944 HB3 ARG 619 HB3 ARG 619 -18.999 -9.574 0.019 945 HG2 ARG 619 HG2 ARG 619 -19.777 -7.935 2.393 946 HG3 ARG 619 HG3 ARG 619 -21.010 -8.673 1.368 947 HD2 ARG 619 HD2 ARG 619 -20.518 -10.138 3.217 948 HD3 ARG 619 HD3 ARG 619 -19.953 -10.869 1.722 949 HE ARG 619 HE ARG 619 -18.138 -9.486 3.591 950 HH11 ARG 619 HH11 ARG 619 -18.933 -12.233 1.556 951 HH12 ARG 619 HH12 ARG 619 -17.438 -13.053 1.874 952 HH21 ARG 619 HH21 ARG 619 -16.192 -10.592 4.028 953 HH22 ARG 619 HH22 ARG 619 -15.895 -12.133 3.284 954 H GLU 620 HN GLU 620 -15.151 -7.896 0.855 955 HA GLU 620 HA GLU 620 -14.772 -7.796 -1.978 956 HB2 GLU 620 HB2 GLU 620 -13.389 -6.513 -0.356 957 HB3 GLU 620 HB3 GLU 620 -12.707 -8.027 0.222 958 HG2 GLU 620 HG2 GLU 620 -11.224 -6.855 -1.333 959 HG3 GLU 620 HG3 GLU 620 -11.703 -8.443 -1.929 960 H ARG 621 HN ARG 621 -13.394 -9.237 -3.180 961 HA ARG 621 HA ARG 621 -13.884 -12.021 -2.390 962 HB2 ARG 621 HB2 ARG 621 -13.062 -11.073 -5.137 963 HB3 ARG 621 HB3 ARG 621 -13.783 -12.613 -4.700 964 HG2 ARG 621 HG2 ARG 621 -15.556 -11.520 -5.675 965 HG3 ARG 621 HG3 ARG 621 -15.811 -11.152 -3.968 966 HD2 ARG 621 HD2 ARG 621 -14.622 -9.005 -4.303 967 HD3 ARG 621 HD3 ARG 621 -14.507 -9.369 -6.020 968 HE ARG 621 HE ARG 621 -17.130 -9.497 -5.682 969 HH11 ARG 621 HH11 ARG 621 -14.821 -7.173 -4.440 970 HH12 ARG 621 HH12 ARG 621 -15.958 -5.855 -4.446 971 HH21 ARG 621 HH21 ARG 621 -18.625 -7.748 -5.706 972 HH22 ARG 621 HH22 ARG 621 -18.107 -6.178 -5.177 Start of MODEL 13 1 HO5' ADN 1 H5T ADE 1 12.019 -2.707 -12.090 2 H5'1 ADN 1 H5' ADE 1 12.789 -0.654 -10.782 3 H5'2 ADN 1 H5'' ADE 1 11.043 -0.664 -10.484 4 H4' ADN 1 H4' ADE 1 12.478 0.129 -12.809 5 H3' ADN 1 H3' ADE 1 10.211 1.037 -11.681 6 H2' ADN 1 H2' ADE 1 8.809 -0.857 -12.244 7 HO2' ADN 1 HO2' ADE 1 8.803 1.043 -14.355 8 H1' ADN 1 H1' ADE 1 10.149 -0.901 -15.010 9 H8 ADN 1 H8 ADE 1 10.494 -3.889 -12.873 10 HN61 ADN 1 H61 ADE 1 6.952 -6.659 -14.725 11 HN62 ADN 1 H62 ADE 1 5.635 -6.336 -15.834 12 H2 ADN 1 H2 ADE 1 5.914 -2.007 -16.953 13 H5' U 2 H5' URI 2 10.944 4.603 -10.848 14 H5'' U 2 H5'' URI 2 10.034 3.274 -10.108 15 H4' U 2 H4' URI 2 9.274 6.019 -10.573 16 H3' U 2 H3' URI 2 8.970 4.461 -8.425 17 H2' U 2 H2' URI 2 7.505 2.837 -9.529 18 HO2' U 2 HO2' URI 2 5.912 4.877 -8.321 19 H1' U 2 H1' URI 2 6.009 5.297 -10.628 20 H3 U 2 H3 URI 2 3.121 3.235 -13.281 21 H5 U 2 H5 URI 2 5.978 0.240 -12.579 22 H6 U 2 H6 URI 2 7.231 1.837 -11.291 23 H5' C 3 H5' CYT 3 6.795 8.086 -5.920 24 H5'' C 3 H5'' CYT 3 8.393 8.796 -5.638 25 H4' C 3 H4' CYT 3 6.873 7.955 -3.666 26 H3' C 3 H3' CYT 3 9.425 8.772 -3.664 27 H2' C 3 H2' CYT 3 10.435 6.667 -4.249 28 HO2' C 3 HO2' CYT 3 11.000 7.411 -1.982 29 H1' C 3 H1' CYT 3 8.494 5.260 -2.339 30 H41 C 3 H41 CYT 3 11.092 0.904 -6.603 31 H42 C 3 H42 CYT 3 10.658 0.034 -5.149 32 H5 C 3 H5 CYT 3 10.686 3.279 -6.886 33 H6 C 3 H6 CYT 3 9.832 5.296 -5.815 34 H5' U 4 H5' URI 4 6.575 11.611 -1.401 35 H5'' U 4 H5'' URI 4 7.766 11.999 -0.150 36 H4' U 4 H4' URI 4 4.926 11.551 0.061 37 H3' U 4 H3' URI 4 6.547 13.408 1.143 38 H2' U 4 H2' URI 4 7.745 11.853 2.596 39 HO2' U 4 HO2' URI 4 6.169 11.977 4.638 40 H1' U 4 H1' URI 4 4.963 10.657 3.177 41 H3 U 4 H3 URI 4 7.284 8.672 6.589 42 H5 U 4 H5 URI 4 8.605 6.840 3.051 43 H6 U 4 H6 URI 4 7.438 8.552 1.824 44 H5' U 5 H5' URI 5 1.850 13.489 -1.593 45 H5'' U 5 H5'' URI 5 1.771 14.790 -0.392 46 H4' U 5 H4' URI 5 -0.041 12.723 -0.801 47 H3' U 5 H3' URI 5 -0.192 15.122 0.477 48 H2' U 5 H2' URI 5 0.749 14.379 2.570 49 HO2' U 5 HO2' URI 5 -1.989 13.570 2.691 50 H1' U 5 H1' URI 5 -0.779 11.744 2.142 51 H3 U 5 H3 URI 5 0.514 10.052 6.040 52 H5 U 5 H5 URI 5 3.992 11.979 4.687 53 H6 U 5 H6 URI 5 2.735 12.746 2.784 54 H5' A 6 H5' ADE 6 -5.652 14.785 2.262 55 H5'' A 6 H5'' ADE 6 -5.132 16.090 1.178 56 H4' A 6 H4' ADE 6 -4.831 15.820 4.131 57 H3' A 6 H3' ADE 6 -6.603 17.339 2.815 58 HO3' A 6 H3T ADE 6 -6.698 17.326 4.922 59 H2' A 6 H2' ADE 6 -5.026 18.638 1.531 60 HO2' A 6 HO2' ADE 6 -4.528 20.385 3.498 61 H1' A 6 H1' ADE 6 -3.248 18.841 4.027 62 H8 A 6 H8 ADE 6 -3.576 20.361 0.937 63 H61 A 6 H61 ADE 6 0.933 20.347 -0.847 64 H62 A 6 H62 ADE 6 2.384 19.455 -0.446 65 H2 A 6 H2 ADE 6 1.320 16.739 2.965 66 H1 GLY 510 HT1 GLY 510 10.787 -14.943 3.681 67 H2 GLY 510 HT2 GLY 510 10.424 -15.479 2.122 68 H3 GLY 510 HT3 GLY 510 10.539 -13.824 2.438 69 HA2 GLY 510 HA3 GLY 510 12.765 -15.776 2.578 70 HA3 GLY 510 HA2 GLY 510 12.508 -14.609 1.290 71 H ALA 511 HN ALA 511 13.628 -15.123 4.511 72 HA ALA 511 HA ALA 511 13.899 -12.416 5.312 73 HB1 ALA 511 HB1 ALA 511 15.317 -13.282 7.090 74 HB2 ALA 511 HB2 ALA 511 15.433 -14.834 6.260 75 HB3 ALA 511 HB3 ALA 511 13.882 -14.288 6.897 76 H MET 512 HN MET 512 15.701 -14.393 3.169 77 HA MET 512 HA MET 512 18.166 -12.917 3.419 78 HB2 MET 512 HB2 MET 512 19.012 -14.328 1.679 79 HB3 MET 512 HB3 MET 512 18.067 -15.334 2.764 80 HG2 MET 512 HG2 MET 512 16.190 -15.255 1.196 81 HG3 MET 512 HG3 MET 512 17.152 -14.259 0.107 82 HE1 MET 512 HE1 MET 512 16.785 -15.905 -1.916 83 HE2 MET 512 HE2 MET 512 15.744 -16.887 -0.884 84 HE3 MET 512 HE3 MET 512 17.033 -17.647 -1.817 85 H ALA 513 HN ALA 513 15.239 -12.245 1.991 86 HA ALA 513 HA ALA 513 16.511 -10.578 -0.077 87 HB1 ALA 513 HB1 ALA 513 13.790 -11.872 -0.199 88 HB2 ALA 513 HB2 ALA 513 15.230 -12.419 -1.058 89 HB3 ALA 513 HB3 ALA 513 14.515 -10.853 -1.443 90 H GLN 514 HN GLN 514 16.399 -8.509 0.388 91 HA GLN 514 HA GLN 514 15.602 -6.459 0.929 92 HB2 GLN 514 HB2 GLN 514 12.995 -7.953 0.965 93 HB3 GLN 514 HB3 GLN 514 13.087 -6.255 1.410 94 HG2 GLN 514 HG2 GLN 514 14.116 -7.299 -1.209 95 HG3 GLN 514 HG3 GLN 514 12.452 -6.766 -0.978 96 HE21 GLN 514 HE21 GLN 514 14.588 -5.676 -2.674 97 HE22 GLN 514 HE22 GLN 514 14.763 -4.028 -2.204 98 H ARG 515 HN ARG 515 15.626 -5.246 2.729 99 HA ARG 515 HA ARG 515 15.750 -6.574 5.284 100 HB2 ARG 515 HB2 ARG 515 15.887 -3.633 4.582 101 HB3 ARG 515 HB3 ARG 515 16.211 -4.308 6.168 102 HG2 ARG 515 HG2 ARG 515 17.798 -4.885 3.675 103 HG3 ARG 515 HG3 ARG 515 18.259 -3.755 4.947 104 HD2 ARG 515 HD2 ARG 515 19.456 -5.658 5.503 105 HD3 ARG 515 HD3 ARG 515 18.022 -5.797 6.515 106 HE ARG 515 HE ARG 515 17.864 -7.141 3.958 107 HH11 ARG 515 HH11 ARG 515 18.635 -7.424 7.363 108 HH12 ARG 515 HH12 ARG 515 18.502 -9.155 7.374 109 HH21 ARG 515 HH21 ARG 515 17.717 -9.414 3.970 110 HH22 ARG 515 HH22 ARG 515 17.989 -10.291 5.441 111 H LYS 516 HN LYS 516 13.663 -7.367 5.626 112 HA LYS 516 HA LYS 516 11.624 -5.303 6.100 113 HB2 LYS 516 HB2 LYS 516 11.215 -8.035 4.871 114 HB3 LYS 516 HB3 LYS 516 9.915 -6.943 5.335 115 HG2 LYS 516 HG2 LYS 516 12.058 -6.268 3.332 116 HG3 LYS 516 HG3 LYS 516 10.464 -6.901 2.913 117 HD2 LYS 516 HD2 LYS 516 9.399 -4.949 3.438 118 HD3 LYS 516 HD3 LYS 516 10.581 -4.506 4.669 119 HE2 LYS 516 HE2 LYS 516 10.638 -3.032 2.686 120 HE3 LYS 516 HE3 LYS 516 12.170 -3.853 2.985 121 HZ1 LYS 516 HZ1 LYS 516 10.135 -4.598 0.959 122 HZ2 LYS 516 HZ2 LYS 516 11.538 -5.479 1.278 123 HZ3 LYS 516 HZ3 LYS 516 11.654 -3.910 0.656 124 H GLY 517 HN GLY 517 13.507 -6.558 7.920 125 HA2 GLY 517 HA2 GLY 517 11.625 -7.958 9.710 126 HA3 GLY 517 HA3 GLY 517 13.381 -8.042 9.825 127 H ALA 518 HN ALA 518 10.843 -6.891 11.411 128 HA ALA 518 HA ALA 518 10.403 -5.206 12.869 129 HB1 ALA 518 HB1 ALA 518 12.299 -4.192 14.043 130 HB2 ALA 518 HB2 ALA 518 13.403 -4.863 12.843 131 HB3 ALA 518 HB3 ALA 518 12.491 -5.938 13.902 132 H GLY 519 HN GLY 519 9.672 -4.451 10.552 133 HA2 GLY 519 HA2 GLY 519 9.315 -1.936 10.122 134 HA3 GLY 519 HA3 GLY 519 11.044 -1.963 9.793 135 H ARG 520 HN ARG 520 8.130 -1.963 8.306 136 HA ARG 520 HA ARG 520 9.315 -3.186 5.915 137 HB2 ARG 520 HB2 ARG 520 6.497 -3.711 6.879 138 HB3 ARG 520 HB3 ARG 520 7.174 -4.264 5.355 139 HG2 ARG 520 HG2 ARG 520 8.555 -5.821 6.393 140 HG3 ARG 520 HG3 ARG 520 8.416 -5.033 7.966 141 HD2 ARG 520 HD2 ARG 520 6.224 -6.500 6.505 142 HD3 ARG 520 HD3 ARG 520 7.110 -7.086 7.913 143 HE ARG 520 HE ARG 520 5.022 -5.055 7.867 144 HH11 ARG 520 HH11 ARG 520 7.507 -6.703 9.711 145 HH12 ARG 520 HH12 ARG 520 6.878 -6.194 11.245 146 HH21 ARG 520 HH21 ARG 520 4.194 -4.401 9.885 147 HH22 ARG 520 HH22 ARG 520 4.998 -4.884 11.347 148 H VAL 521 HN VAL 521 9.095 -1.941 4.194 149 HA VAL 521 HA VAL 521 6.768 -0.153 4.051 150 HB VAL 521 HB VAL 521 9.439 0.276 2.721 151 HG11 VAL 521 HG11 VAL 521 6.897 1.870 2.552 152 HG12 VAL 521 HG12 VAL 521 7.670 0.985 1.244 153 HG13 VAL 521 HG13 VAL 521 8.462 2.398 1.941 154 HG21 VAL 521 HG21 VAL 521 9.498 0.824 5.060 155 HG22 VAL 521 HG22 VAL 521 8.010 1.757 4.908 156 HG23 VAL 521 HG23 VAL 521 9.482 2.310 4.111 157 H VAL 522 HN VAL 522 5.315 -0.673 2.602 158 HA VAL 522 HA VAL 522 6.153 -2.225 0.239 159 HB VAL 522 HB VAL 522 3.419 -2.314 1.525 160 HG11 VAL 522 HG11 VAL 522 4.718 -4.010 -0.597 161 HG12 VAL 522 HG12 VAL 522 3.376 -2.885 -0.806 162 HG13 VAL 522 HG13 VAL 522 3.158 -4.353 0.148 163 HG21 VAL 522 HG21 VAL 522 5.630 -4.345 1.809 164 HG22 VAL 522 HG22 VAL 522 3.995 -4.465 2.471 165 HG23 VAL 522 HG23 VAL 522 5.100 -3.224 3.063 166 H HIS 523 HN HIS 523 5.778 -1.108 -1.682 167 HA HIS 523 HA HIS 523 4.322 1.408 -1.357 168 HB2 HIS 523 HB2 HIS 523 6.657 1.674 -1.934 169 HB3 HIS 523 HB3 HIS 523 6.501 0.539 -3.267 170 HD1 HIS 523 HD1 HIS 523 5.478 1.418 -5.455 171 HD2 HIS 523 HD2 HIS 523 5.728 4.277 -2.453 172 HE1 HIS 523 HE1 HIS 523 5.112 3.623 -6.596 173 HE2 HIS 523 HE2 HIS 523 5.524 5.338 -4.806 174 H ILE 524 HN ILE 524 2.611 1.848 -2.543 175 HA ILE 524 HA ILE 524 1.778 -0.096 -4.589 176 HB ILE 524 HB ILE 524 0.044 1.785 -2.973 177 HG12 ILE 524 HG12 ILE 524 0.559 -1.180 -2.668 178 HG13 ILE 524 HG13 ILE 524 0.995 0.085 -1.529 179 HG21 ILE 524 HG21 ILE 524 -0.948 1.300 -5.113 180 HG22 ILE 524 HG22 ILE 524 -1.817 0.405 -3.866 181 HG23 ILE 524 HG23 ILE 524 -0.658 -0.426 -4.903 182 HD11 ILE 524 HD11 ILE 524 -1.342 0.524 -1.092 183 HD12 ILE 524 HD12 ILE 524 -0.961 -1.176 -0.811 184 HD13 ILE 524 HD13 ILE 524 -1.809 -0.692 -2.280 185 H CYS 525 HN CYS 525 1.210 0.683 -6.591 186 HA CYS 525 HA CYS 525 1.420 3.581 -6.994 187 HB2 CYS 525 HB2 CYS 525 3.592 2.467 -7.538 188 HB3 CYS 525 HB3 CYS 525 2.752 1.510 -8.752 189 HG CYS 525 HG CYS 525 2.248 3.529 -10.485 190 H ASN 526 HN ASN 526 0.467 4.333 -8.924 191 HA ASN 526 HA ASN 526 -0.786 4.331 -10.831 192 HB2 ASN 526 HB2 ASN 526 -1.190 1.373 -10.350 193 HB3 ASN 526 HB3 ASN 526 -1.825 2.258 -11.733 194 HD21 ASN 526 HD21 ASN 526 0.009 0.028 -11.692 195 HD22 ASN 526 HD22 ASN 526 1.453 0.567 -12.474 196 H LEU 527 HN LEU 527 -1.573 4.820 -8.124 197 HA LEU 527 HA LEU 527 -4.416 4.188 -8.060 198 HB2 LEU 527 HB2 LEU 527 -2.598 5.754 -6.225 199 HB3 LEU 527 HB1 LEU 527 -4.328 5.646 -5.981 200 HG LEU 527 HG LEU 527 -2.508 3.237 -6.022 201 HD11 LEU 527 HD11 LEU 527 -3.546 4.830 -3.678 202 HD12 LEU 527 HD12 LEU 527 -1.862 4.682 -4.177 203 HD13 LEU 527 HD13 LEU 527 -2.729 3.272 -3.567 204 HD21 LEU 527 HD21 LEU 527 -5.324 3.644 -5.028 205 HD22 LEU 527 HD22 LEU 527 -4.402 2.143 -4.955 206 HD23 LEU 527 HD23 LEU 527 -4.872 2.816 -6.516 207 HA PRO 528 HA PRO 528 -5.018 7.932 -10.433 208 HB2 PRO 528 HB2 PRO 528 -7.879 7.619 -10.074 209 HB3 PRO 528 HB1 PRO 528 -6.920 7.400 -11.538 210 HG2 PRO 528 HG2 PRO 528 -8.144 5.354 -10.196 211 HG3 PRO 528 HG3 PRO 528 -6.704 5.152 -11.207 212 HD2 PRO 528 HD2 PRO 528 -6.932 5.304 -8.236 213 HD3 PRO 528 HD3 PRO 528 -5.852 4.315 -9.241 214 H GLU 529 HN GLU 529 -5.028 9.982 -9.779 215 HA GLU 529 HA GLU 529 -5.686 10.783 -7.159 216 HB2 GLU 529 HB2 GLU 529 -4.060 11.972 -8.564 217 HB3 GLU 529 HB3 GLU 529 -5.351 12.437 -9.665 218 HG2 GLU 529 HG2 GLU 529 -6.387 13.765 -7.899 219 HG3 GLU 529 HG3 GLU 529 -5.106 13.284 -6.786 220 H GLY 530 HN GLY 530 -7.550 11.542 -6.283 221 HA2 GLY 530 HA2 GLY 530 -9.767 12.347 -6.310 222 HA3 GLY 530 HA3 GLY 530 -9.835 12.035 -8.042 223 H SER 531 HN SER 531 -8.387 9.452 -6.592 224 HA SER 531 HA SER 531 -10.840 8.005 -5.990 225 HB2 SER 531 HB2 SER 531 -10.451 7.716 -8.440 226 HB3 SER 531 HB3 SER 531 -8.859 7.055 -8.079 227 HG SER 531 HG SER 531 -10.855 5.608 -8.380 228 H CYS 532 HN CYS 532 -7.908 8.924 -5.106 229 HA CYS 532 HA CYS 532 -6.880 6.364 -4.147 230 HB2 CYS 532 HB2 CYS 532 -5.752 9.162 -3.872 231 HB3 CYS 532 HB3 CYS 532 -4.941 7.690 -3.356 232 HG CYS 532 HG CYS 532 -5.826 7.875 -6.603 233 H THR 533 HN THR 533 -8.513 5.887 -2.583 234 HA THR 533 HA THR 533 -8.742 7.859 -0.412 235 HB THR 533 HB THR 533 -10.733 6.732 0.305 236 HG1 THR 533 HG1 THR 533 -10.916 4.805 -1.631 237 HG21 THR 533 HG21 THR 533 -12.168 6.827 -1.688 238 HG22 THR 533 HG22 THR 533 -10.736 6.839 -2.717 239 HG23 THR 533 HG23 THR 533 -11.053 8.194 -1.634 240 H GLU 534 HN GLU 534 -8.408 7.160 1.757 241 HA GLU 534 HA GLU 534 -6.304 5.333 2.105 242 HB2 GLU 534 HB2 GLU 534 -8.201 6.517 4.124 243 HB3 GLU 534 HB3 GLU 534 -6.784 5.569 4.538 244 HG2 GLU 534 HG2 GLU 534 -6.057 7.769 4.767 245 HG3 GLU 534 HG3 GLU 534 -5.452 7.309 3.173 246 H ASN 535 HN ASN 535 -9.725 5.073 2.213 247 HA ASN 535 HA ASN 535 -9.936 2.637 3.606 248 HB2 ASN 535 HB2 ASN 535 -11.776 4.335 3.070 249 HB3 ASN 535 HB3 ASN 535 -11.870 3.564 1.490 250 HD21 ASN 535 HD21 ASN 535 -12.689 1.470 1.335 251 HD22 ASN 535 HD22 ASN 535 -13.587 0.741 2.628 252 H ASP 536 HN ASP 536 -9.689 3.319 0.077 253 HA ASP 536 HA ASP 536 -10.245 0.598 -0.649 254 HB2 ASP 536 HB2 ASP 536 -9.158 2.942 -2.211 255 HB3 ASP 536 HB3 ASP 536 -9.345 1.345 -2.923 256 H VAL 537 HN VAL 537 -7.369 2.554 -0.459 257 HA VAL 537 HA VAL 537 -5.501 0.687 -1.437 258 HB VAL 537 HB VAL 537 -4.963 2.837 0.630 259 HG11 VAL 537 HG11 VAL 537 -3.128 1.585 -1.407 260 HG12 VAL 537 HG12 VAL 537 -3.131 1.212 0.317 261 HG13 VAL 537 HG13 VAL 537 -2.696 2.833 -0.236 262 HG21 VAL 537 HG21 VAL 537 -4.960 2.999 -2.383 263 HG22 VAL 537 HG22 VAL 537 -4.421 4.272 -1.290 264 HG23 VAL 537 HG23 VAL 537 -6.114 3.774 -1.296 265 H ILE 538 HN ILE 538 -6.538 1.410 1.858 266 HA ILE 538 HA ILE 538 -5.075 -0.676 3.077 267 HB ILE 538 HB ILE 538 -7.472 0.883 4.020 268 HG12 ILE 538 HG12 ILE 538 -4.552 0.937 4.797 269 HG13 ILE 538 HG13 ILE 538 -5.381 2.140 3.813 270 HG21 ILE 538 HG21 ILE 538 -5.880 -1.247 5.425 271 HG22 ILE 538 HG22 ILE 538 -7.618 -1.210 5.136 272 HG23 ILE 538 HG23 ILE 538 -6.889 -0.075 6.270 273 HD11 ILE 538 HD11 ILE 538 -5.058 2.841 6.150 274 HD12 ILE 538 HD12 ILE 538 -6.078 1.494 6.668 275 HD13 ILE 538 HD13 ILE 538 -6.756 2.784 5.672 276 H ASN 539 HN ASN 539 -8.306 -0.534 1.619 277 HA ASN 539 HA ASN 539 -9.302 -2.960 2.540 278 HB2 ASN 539 HB2 ASN 539 -9.734 -1.687 -0.167 279 HB3 ASN 539 HB3 ASN 539 -10.594 -3.114 0.385 280 HD21 ASN 539 HD21 ASN 539 -10.776 -2.024 3.144 281 HD22 ASN 539 HD22 ASN 539 -12.012 -0.834 3.063 282 H LEU 540 HN LEU 540 -6.919 -2.314 0.058 283 HA LEU 540 HA LEU 540 -6.826 -5.032 -0.843 284 HB2 LEU 540 HB2 LEU 540 -4.792 -2.809 -1.042 285 HB3 LEU 540 HB1 LEU 540 -4.702 -4.336 -1.897 286 HG LEU 540 HG LEU 540 -6.832 -2.230 -2.276 287 HD11 LEU 540 HD11 LEU 540 -5.798 -1.870 -4.432 288 HD12 LEU 540 HD12 LEU 540 -4.570 -3.082 -4.074 289 HD13 LEU 540 HD13 LEU 540 -4.635 -1.586 -3.140 290 HD21 LEU 540 HD21 LEU 540 -7.536 -3.608 -4.184 291 HD22 LEU 540 HD22 LEU 540 -7.728 -4.458 -2.651 292 HD23 LEU 540 HD23 LEU 540 -6.372 -4.845 -3.709 293 H GLY 541 HN GLY 541 -4.947 -3.043 1.414 294 HA2 GLY 541 HA2 GLY 541 -3.037 -4.896 2.170 295 HA3 GLY 541 HA3 GLY 541 -3.627 -3.591 3.188 296 H LEU 542 HN LEU 542 -6.182 -4.391 3.756 297 HA LEU 542 HA LEU 542 -5.529 -5.859 6.034 298 HB2 LEU 542 HB2 LEU 542 -8.166 -5.053 4.878 299 HB3 LEU 542 HB1 LEU 542 -8.031 -5.900 6.408 300 HG LEU 542 HG LEU 542 -6.663 -3.276 5.831 301 HD11 LEU 542 HD11 LEU 542 -9.047 -2.936 5.718 302 HD12 LEU 542 HD12 LEU 542 -8.418 -2.266 7.223 303 HD13 LEU 542 HD13 LEU 542 -9.272 -3.808 7.231 304 HD21 LEU 542 HD21 LEU 542 -6.425 -3.186 8.263 305 HD22 LEU 542 HD22 LEU 542 -5.627 -4.604 7.587 306 HD23 LEU 542 HD23 LEU 542 -7.183 -4.772 8.397 307 HA PRO 543 HA PRO 543 -8.146 -9.577 4.170 308 HB2 PRO 543 HB2 PRO 543 -7.153 -9.329 1.369 309 HB3 PRO 543 HB1 PRO 543 -8.722 -9.892 1.961 310 HG2 PRO 543 HG2 PRO 543 -8.535 -7.485 0.913 311 HG3 PRO 543 HG3 PRO 543 -9.465 -7.713 2.411 312 HD2 PRO 543 HD2 PRO 543 -6.679 -6.649 2.059 313 HD3 PRO 543 HD3 PRO 543 -7.997 -6.028 3.076 314 H PHE 544 HN PHE 544 -4.896 -8.656 3.038 315 HA PHE 544 HA PHE 544 -4.064 -11.448 3.320 316 HB2 PHE 544 HB2 PHE 544 -2.538 -9.055 2.283 317 HB3 PHE 544 HB3 PHE 544 -1.964 -10.715 2.272 318 HD1 PHE 544 HD1 PHE 544 -2.826 -12.315 0.686 319 HD2 PHE 544 HD2 PHE 544 -4.229 -8.303 0.734 320 HE1 PHE 544 HE1 PHE 544 -3.848 -12.651 -1.529 321 HE2 PHE 544 HE2 PHE 544 -5.255 -8.628 -1.477 322 HZ PHE 544 HZ PHE 544 -5.027 -10.791 -2.631 323 H GLY 545 HN GLY 545 -4.017 -8.469 5.013 324 HA2 GLY 545 HA2 GLY 545 -2.919 -9.623 7.334 325 HA3 GLY 545 HA3 GLY 545 -1.657 -8.734 6.497 326 H LYS 546 HN LYS 546 -2.683 -8.136 9.089 327 HA LYS 546 HA LYS 546 -4.591 -6.052 8.998 328 HB2 LYS 546 HB2 LYS 546 -4.038 -7.384 11.023 329 HB3 LYS 546 HB3 LYS 546 -2.479 -6.577 11.096 330 HG2 LYS 546 HG2 LYS 546 -3.572 -4.442 11.465 331 HG3 LYS 546 HG3 LYS 546 -5.154 -5.210 11.319 332 HD2 LYS 546 HD2 LYS 546 -4.651 -6.603 13.271 333 HD3 LYS 546 HD3 LYS 546 -3.074 -5.827 13.417 334 HE2 LYS 546 HE2 LYS 546 -4.161 -3.676 13.796 335 HE3 LYS 546 HE3 LYS 546 -5.743 -4.434 13.622 336 HZ1 LYS 546 HZ1 LYS 546 -3.748 -5.106 15.718 337 HZ2 LYS 546 HZ2 LYS 546 -5.299 -5.763 15.570 338 HZ3 LYS 546 HZ3 LYS 546 -5.108 -4.129 15.945 339 H VAL 547 HN VAL 547 -4.392 -3.937 8.616 340 HA VAL 547 HA VAL 547 -1.820 -2.908 7.764 341 HB VAL 547 HB VAL 547 -4.601 -1.721 7.697 342 HG11 VAL 547 HG11 VAL 547 -2.819 0.013 7.938 343 HG12 VAL 547 HG12 VAL 547 -3.744 0.118 6.442 344 HG13 VAL 547 HG13 VAL 547 -2.119 -0.574 6.428 345 HG21 VAL 547 HG21 VAL 547 -4.221 -1.960 5.215 346 HG22 VAL 547 HG22 VAL 547 -4.432 -3.457 6.117 347 HG23 VAL 547 HG23 VAL 547 -2.819 -2.950 5.615 348 H THR 548 HN THR 548 -0.509 -2.086 9.237 349 HA THR 548 HA THR 548 -1.638 -0.827 11.609 350 HB THR 548 HB THR 548 0.787 -0.824 12.376 351 HG1 THR 548 HG1 THR 548 2.028 -1.168 10.625 352 HG21 THR 548 HG21 THR 548 -0.501 -3.482 11.741 353 HG22 THR 548 HG22 THR 548 -0.859 -2.473 13.142 354 HG23 THR 548 HG23 THR 548 0.738 -3.197 12.963 355 H ASN 549 HN ASN 549 0.344 -0.068 8.814 356 HA ASN 549 HA ASN 549 -0.215 2.761 9.306 357 HB2 ASN 549 HB2 ASN 549 2.540 1.636 8.832 358 HB3 ASN 549 HB3 ASN 549 2.145 3.294 8.423 359 HD21 ASN 549 HD21 ASN 549 4.114 2.487 10.219 360 HD22 ASN 549 HD22 ASN 549 3.679 3.127 11.764 361 H TYR 550 HN TYR 550 -0.033 4.082 7.444 362 HA TYR 550 HA TYR 550 0.402 2.945 4.854 363 HB2 TYR 550 HB2 TYR 550 -1.918 3.379 4.045 364 HB3 TYR 550 HB3 TYR 550 -1.847 2.089 5.242 365 HD1 TYR 550 HD1 TYR 550 -3.580 4.943 4.272 366 HD2 TYR 550 HD2 TYR 550 -2.194 2.950 7.757 367 HE1 TYR 550 HE1 TYR 550 -5.245 6.137 5.625 368 HE2 TYR 550 HE2 TYR 550 -3.867 4.133 9.108 369 HH TYR 550 HH TYR 550 -6.445 5.850 7.737 370 H ILE 551 HN ILE 551 0.456 4.599 3.220 371 HA ILE 551 HA ILE 551 0.062 7.368 4.112 372 HB ILE 551 HB ILE 551 2.552 6.464 2.664 373 HG12 ILE 551 HG12 ILE 551 2.342 7.216 5.593 374 HG13 ILE 551 HG13 ILE 551 2.524 5.570 4.995 375 HG21 ILE 551 HG21 ILE 551 3.379 8.709 3.211 376 HG22 ILE 551 HG22 ILE 551 1.834 9.078 3.978 377 HG23 ILE 551 HG23 ILE 551 1.903 8.759 2.245 378 HD11 ILE 551 HD11 ILE 551 4.638 6.444 5.767 379 HD12 ILE 551 HD12 ILE 551 4.503 7.810 4.660 380 HD13 ILE 551 HD13 ILE 551 4.685 6.175 4.025 381 H LEU 552 HN LEU 552 -1.042 8.421 2.430 382 HA LEU 552 HA LEU 552 -0.873 7.055 -0.159 383 HB2 LEU 552 HB2 LEU 552 -3.190 8.671 0.879 384 HB3 LEU 552 HB1 LEU 552 -3.089 7.896 -0.690 385 HG LEU 552 HG LEU 552 -3.411 6.632 2.010 386 HD11 LEU 552 HD11 LEU 552 -5.260 5.516 0.641 387 HD12 LEU 552 HD12 LEU 552 -4.969 6.801 -0.529 388 HD13 LEU 552 HD13 LEU 552 -5.463 7.201 1.114 389 HD21 LEU 552 HD21 LEU 552 -1.697 5.343 0.872 390 HD22 LEU 552 HD22 LEU 552 -2.706 5.245 -0.571 391 HD23 LEU 552 HD23 LEU 552 -3.217 4.452 0.919 392 H MET 553 HN MET 553 -0.096 8.256 -1.840 393 HA MET 553 HA MET 553 0.196 11.136 -1.279 394 HB2 MET 553 HB2 MET 553 1.844 9.365 -3.099 395 HB3 MET 553 HB3 MET 553 2.043 11.103 -2.937 396 HG2 MET 553 HG2 MET 553 2.713 10.847 -0.631 397 HG3 MET 553 HG3 MET 553 2.423 9.109 -0.716 398 HE1 MET 553 HE1 MET 553 5.204 7.906 -3.168 399 HE2 MET 553 HE2 MET 553 3.544 8.338 -3.573 400 HE3 MET 553 HE3 MET 553 3.883 7.425 -2.103 401 H LYS 554 HN LYS 554 -2.026 11.260 -2.006 402 HA LYS 554 HA LYS 554 -3.032 10.726 -4.426 403 HB2 LYS 554 HB2 LYS 554 -3.533 13.471 -3.362 404 HB3 LYS 554 HB3 LYS 554 -4.669 12.300 -4.014 405 HG2 LYS 554 HG2 LYS 554 -3.361 12.206 -1.299 406 HG3 LYS 554 HG3 LYS 554 -5.040 12.613 -1.644 407 HD2 LYS 554 HD2 LYS 554 -5.390 10.349 -2.518 408 HD3 LYS 554 HD3 LYS 554 -3.714 9.943 -2.144 409 HE2 LYS 554 HE2 LYS 554 -4.895 9.093 -0.329 410 HE3 LYS 554 HE3 LYS 554 -4.313 10.648 0.260 411 HZ1 LYS 554 HZ1 LYS 554 -7.031 10.173 -0.836 412 HZ2 LYS 554 HZ2 LYS 554 -6.468 11.596 -0.114 413 HZ3 LYS 554 HZ3 LYS 554 -6.653 10.191 0.816 414 H SER 555 HN SER 555 -0.507 13.040 -3.810 415 HA SER 555 HA SER 555 -1.010 14.671 -6.091 416 HB2 SER 555 HB2 SER 555 1.208 15.647 -5.517 417 HB3 SER 555 HB3 SER 555 0.093 15.605 -4.152 418 HG SER 555 HG SER 555 2.386 14.820 -3.879 419 H THR 556 HN THR 556 1.179 11.967 -5.363 420 HA THR 556 HA THR 556 2.305 12.145 -8.049 421 HB THR 556 HB THR 556 3.899 10.404 -7.218 422 HG1 THR 556 HG1 THR 556 3.702 10.535 -4.663 423 HG21 THR 556 HG21 THR 556 5.126 11.898 -5.698 424 HG22 THR 556 HG22 THR 556 3.692 12.912 -5.546 425 HG23 THR 556 HG23 THR 556 4.506 12.762 -7.103 426 H ASN 557 HN ASN 557 -0.352 10.791 -6.850 427 HA ASN 557 HA ASN 557 -1.693 9.013 -7.327 428 HB2 ASN 557 HB2 ASN 557 0.060 8.991 -9.795 429 HB3 ASN 557 HB3 ASN 557 -1.340 7.947 -9.599 430 HD21 ASN 557 HD21 ASN 557 -0.259 11.243 -9.969 431 HD22 ASN 557 HD22 ASN 557 -1.785 11.891 -10.454 432 H GLN 558 HN GLN 558 0.420 8.534 -5.598 433 HA GLN 558 HA GLN 558 0.906 5.672 -5.995 434 HB2 GLN 558 HB2 GLN 558 3.089 7.688 -5.414 435 HB3 GLN 558 HB3 GLN 558 3.289 5.943 -5.302 436 HG2 GLN 558 HG2 GLN 558 2.751 5.764 -7.699 437 HG3 GLN 558 HG3 GLN 558 2.643 7.522 -7.777 438 HE21 GLN 558 HE21 GLN 558 4.310 7.656 -9.269 439 HE22 GLN 558 HE22 GLN 558 5.960 7.393 -8.838 440 H ALA 559 HN ALA 559 1.762 4.651 -3.883 441 HA ALA 559 HA ALA 559 1.215 6.198 -1.516 442 HB1 ALA 559 HB1 ALA 559 -0.613 3.956 -2.324 443 HB2 ALA 559 HB2 ALA 559 -1.022 5.672 -2.228 444 HB3 ALA 559 HB3 ALA 559 -0.616 4.777 -0.757 445 H PHE 560 HN PHE 560 1.403 4.945 0.436 446 HA PHE 560 HA PHE 560 3.110 2.542 0.178 447 HB2 PHE 560 HB2 PHE 560 3.182 4.657 2.343 448 HB3 PHE 560 HB3 PHE 560 4.138 3.184 2.342 449 HD1 PHE 560 HD1 PHE 560 5.951 2.890 0.701 450 HD2 PHE 560 HD2 PHE 560 3.821 6.556 1.066 451 HE1 PHE 560 HE1 PHE 560 7.755 4.054 -0.497 452 HE2 PHE 560 HE2 PHE 560 5.619 7.724 -0.135 453 HZ PHE 560 HZ PHE 560 7.590 6.475 -0.916 454 H LEU 561 HN LEU 561 2.579 0.786 1.404 455 HA LEU 561 HA LEU 561 0.352 1.063 3.304 456 HB2 LEU 561 HB2 LEU 561 -0.491 0.298 1.109 457 HB3 LEU 561 HB1 LEU 561 0.600 -1.065 1.175 458 HG LEU 561 HG LEU 561 -0.612 -1.945 3.124 459 HD11 LEU 561 HD11 LEU 561 -1.422 0.132 4.076 460 HD12 LEU 561 HD12 LEU 561 -2.776 -0.950 3.740 461 HD13 LEU 561 HD13 LEU 561 -2.442 0.407 2.664 462 HD21 LEU 561 HD21 LEU 561 -2.391 -1.310 0.770 463 HD22 LEU 561 HD22 LEU 561 -2.606 -2.632 1.913 464 HD23 LEU 561 HD23 LEU 561 -1.211 -2.621 0.832 465 H GLU 562 HN GLU 562 0.970 0.333 5.195 466 HA GLU 562 HA GLU 562 3.158 -1.618 5.348 467 HB2 GLU 562 HB2 GLU 562 3.441 0.458 6.609 468 HB3 GLU 562 HB3 GLU 562 1.961 0.136 7.497 469 HG2 GLU 562 HG2 GLU 562 3.023 -1.907 8.414 470 HG3 GLU 562 HG3 GLU 562 4.520 -1.442 7.603 471 H MET 563 HN MET 563 2.767 -3.618 5.735 472 HA MET 563 HA MET 563 0.220 -4.444 6.926 473 HB2 MET 563 HB2 MET 563 2.302 -6.048 5.427 474 HB3 MET 563 HB3 MET 563 0.732 -6.639 5.972 475 HG2 MET 563 HG2 MET 563 -0.220 -5.905 4.122 476 HG3 MET 563 HG3 MET 563 0.330 -4.268 4.466 477 HE1 MET 563 HE1 MET 563 1.483 -4.210 0.864 478 HE2 MET 563 HE2 MET 563 0.863 -3.275 2.222 479 HE3 MET 563 HE3 MET 563 -0.069 -4.629 1.588 480 H ALA 564 HN ALA 564 0.348 -6.239 8.504 481 HA ALA 564 HA ALA 564 2.200 -5.445 10.546 482 HB1 ALA 564 HB1 ALA 564 0.118 -7.618 10.614 483 HB2 ALA 564 HB2 ALA 564 -0.147 -5.933 11.052 484 HB3 ALA 564 HB3 ALA 564 0.954 -6.929 12.003 485 H TYR 565 HN TYR 565 2.184 -7.875 8.162 486 HA TYR 565 HA TYR 565 4.614 -9.002 9.332 487 HB2 TYR 565 HB2 TYR 565 2.231 -10.602 8.388 488 HB3 TYR 565 HB3 TYR 565 3.838 -11.291 8.571 489 HD1 TYR 565 HD1 TYR 565 0.791 -10.405 10.236 490 HD2 TYR 565 HD2 TYR 565 4.908 -11.253 10.864 491 HE1 TYR 565 HE1 TYR 565 0.331 -10.846 12.609 492 HE2 TYR 565 HE2 TYR 565 4.464 -11.696 13.239 493 HH TYR 565 HH TYR 565 1.391 -12.178 14.477 494 H THR 566 HN THR 566 6.051 -9.868 7.833 495 HA THR 566 HA THR 566 6.065 -8.561 5.309 496 HB THR 566 HB THR 566 8.139 -9.155 6.585 497 HG1 THR 566 HG1 THR 566 9.086 -10.172 4.458 498 HG21 THR 566 HG21 THR 566 9.075 -11.412 6.286 499 HG22 THR 566 HG22 THR 566 7.562 -11.930 5.544 500 HG23 THR 566 HG23 THR 566 7.591 -11.432 7.236 501 H GLU 567 HN GLU 567 5.045 -11.698 6.401 502 HA GLU 567 HA GLU 567 4.846 -13.091 4.004 503 HB2 GLU 567 HB2 GLU 567 3.116 -14.423 5.086 504 HB3 GLU 567 HB3 GLU 567 4.435 -14.105 6.202 505 HG2 GLU 567 HG2 GLU 567 3.027 -12.191 7.091 506 HG3 GLU 567 HG3 GLU 567 1.698 -12.884 6.164 507 H ALA 568 HN ALA 568 2.902 -10.521 5.289 508 HA ALA 568 HA ALA 568 0.692 -10.881 3.489 509 HB1 ALA 568 HB1 ALA 568 0.359 -9.790 5.645 510 HB2 ALA 568 HB2 ALA 568 -0.068 -8.706 4.322 511 HB3 ALA 568 HB3 ALA 568 1.462 -8.499 5.175 512 H ALA 569 HN ALA 569 3.592 -8.886 3.649 513 HA ALA 569 HA ALA 569 2.949 -7.117 1.564 514 HB1 ALA 569 HB1 ALA 569 4.654 -6.634 3.243 515 HB2 ALA 569 HB2 ALA 569 5.322 -6.528 1.615 516 HB3 ALA 569 HB3 ALA 569 5.655 -7.943 2.613 517 H GLN 570 HN GLN 570 4.880 -10.112 1.619 518 HA GLN 570 HA GLN 570 5.478 -9.991 -1.153 519 HB2 GLN 570 HB2 GLN 570 6.189 -12.339 -0.939 520 HB3 GLN 570 HB3 GLN 570 6.904 -11.298 0.280 521 HG2 GLN 570 HG2 GLN 570 5.442 -12.150 1.961 522 HG3 GLN 570 HG3 GLN 570 4.509 -13.048 0.763 523 HE21 GLN 570 HE21 GLN 570 6.015 -13.938 3.140 524 HE22 GLN 570 HE22 GLN 570 7.117 -15.135 2.568 525 H ALA 571 HN ALA 571 2.882 -11.425 0.720 526 HA ALA 571 HA ALA 571 1.682 -12.926 -1.324 527 HB1 ALA 571 HB1 ALA 571 -0.346 -12.835 0.024 528 HB2 ALA 571 HB2 ALA 571 0.347 -11.536 0.996 529 HB3 ALA 571 HB3 ALA 571 1.065 -13.146 1.037 530 H MET 572 HN MET 572 1.371 -9.526 -0.400 531 HA MET 572 HA MET 572 -0.659 -8.773 -2.181 532 HB2 MET 572 HB2 MET 572 1.739 -7.057 -1.525 533 HB3 MET 572 HB3 MET 572 0.129 -6.519 -1.967 534 HG2 MET 572 HG2 MET 572 0.764 -7.990 0.567 535 HG3 MET 572 HG3 MET 572 0.736 -6.240 0.423 536 HE1 MET 572 HE1 MET 572 -1.017 -6.041 2.407 537 HE2 MET 572 HE2 MET 572 -0.862 -7.787 2.576 538 HE3 MET 572 HE3 MET 572 -2.461 -7.046 2.504 539 H VAL 573 HN VAL 573 2.865 -8.810 -2.569 540 HA VAL 573 HA VAL 573 2.896 -7.718 -5.160 541 HB VAL 573 HB VAL 573 4.947 -9.552 -3.900 542 HG11 VAL 573 HG11 VAL 573 5.267 -9.336 -6.298 543 HG12 VAL 573 HG12 VAL 573 6.532 -8.463 -5.433 544 HG13 VAL 573 HG13 VAL 573 5.196 -7.579 -6.169 545 HG21 VAL 573 HG21 VAL 573 6.104 -7.387 -3.346 546 HG22 VAL 573 HG22 VAL 573 4.638 -7.721 -2.426 547 HG23 VAL 573 HG23 VAL 573 4.597 -6.568 -3.756 548 H GLN 574 HN GLN 574 3.084 -11.084 -4.020 549 HA GLN 574 HA GLN 574 3.330 -12.238 -6.572 550 HB2 GLN 574 HB2 GLN 574 2.131 -13.451 -4.072 551 HB3 GLN 574 HB3 GLN 574 2.651 -14.344 -5.493 552 HG2 GLN 574 HG2 GLN 574 4.403 -12.750 -3.638 553 HG3 GLN 574 HG3 GLN 574 4.302 -14.505 -3.742 554 HE21 GLN 574 HE21 GLN 574 4.163 -14.542 -6.641 555 HE22 GLN 574 HE22 GLN 574 5.737 -14.153 -7.211 556 H TYR 575 HN TYR 575 0.528 -11.324 -4.660 557 HA TYR 575 HA TYR 575 -1.367 -12.673 -6.304 558 HB2 TYR 575 HB2 TYR 575 -1.799 -12.023 -3.946 559 HB3 TYR 575 HB3 TYR 575 -1.821 -10.336 -4.443 560 HD1 TYR 575 HD1 TYR 575 -3.844 -9.366 -4.941 561 HD2 TYR 575 HD2 TYR 575 -3.482 -13.587 -5.257 562 HE1 TYR 575 HE1 TYR 575 -6.240 -9.524 -5.448 563 HE2 TYR 575 HE2 TYR 575 -5.881 -13.758 -5.766 564 HH TYR 575 HH TYR 575 -7.914 -12.517 -5.494 565 H TYR 576 HN TYR 576 -0.502 -9.215 -6.006 566 HA TYR 576 HA TYR 576 -2.222 -8.538 -8.179 567 HB2 TYR 576 HB2 TYR 576 -0.238 -6.843 -6.668 568 HB3 TYR 576 HB3 TYR 576 -1.389 -6.226 -7.853 569 HD1 TYR 576 HD1 TYR 576 -3.890 -7.064 -7.390 570 HD2 TYR 576 HD2 TYR 576 -0.863 -6.697 -4.441 571 HE1 TYR 576 HE1 TYR 576 -5.624 -6.818 -5.666 572 HE2 TYR 576 HE2 TYR 576 -2.583 -6.463 -2.698 573 HH TYR 576 HH TYR 576 -5.942 -7.009 -3.338 574 H GLN 577 HN GLN 577 1.042 -9.555 -8.122 575 HA GLN 577 HA GLN 577 1.851 -8.342 -10.574 576 HB2 GLN 577 HB2 GLN 577 2.743 -10.873 -9.193 577 HB3 GLN 577 HB3 GLN 577 3.403 -10.373 -10.743 578 HG2 GLN 577 HG2 GLN 577 3.475 -8.627 -8.303 579 HG3 GLN 577 HG3 GLN 577 4.746 -9.782 -8.695 580 HE21 GLN 577 HE21 GLN 577 6.069 -9.407 -10.451 581 HE22 GLN 577 HE22 GLN 577 6.184 -7.858 -11.208 582 H GLU 578 HN GLU 578 0.244 -11.377 -9.760 583 HA GLU 578 HA GLU 578 -0.121 -12.007 -12.573 584 HB2 GLU 578 HB2 GLU 578 -1.037 -13.514 -10.119 585 HB3 GLU 578 HB3 GLU 578 -1.084 -14.107 -11.773 586 HG2 GLU 578 HG2 GLU 578 1.386 -13.440 -10.191 587 HG3 GLU 578 HG3 GLU 578 0.788 -15.055 -10.566 588 H LYS 579 HN LYS 579 -2.122 -11.107 -9.763 589 HA LYS 579 HA LYS 579 -4.307 -10.485 -11.637 590 HB2 LYS 579 HB2 LYS 579 -4.556 -11.470 -8.783 591 HB3 LYS 579 HB3 LYS 579 -5.890 -11.031 -9.836 592 HG2 LYS 579 HG2 LYS 579 -5.308 -12.895 -11.323 593 HG3 LYS 579 HG3 LYS 579 -4.002 -13.343 -10.223 594 HD2 LYS 579 HD2 LYS 579 -5.611 -13.712 -8.432 595 HD3 LYS 579 HD3 LYS 579 -6.927 -13.205 -9.488 596 HE2 LYS 579 HE2 LYS 579 -6.904 -15.597 -9.395 597 HE3 LYS 579 HE3 LYS 579 -6.370 -15.095 -10.996 598 HZ1 LYS 579 HZ1 LYS 579 -5.004 -16.879 -10.106 599 HZ2 LYS 579 HZ2 LYS 579 -4.585 -15.926 -8.775 600 HZ3 LYS 579 HZ3 LYS 579 -4.091 -15.476 -10.328 601 HA PRO 580 HA PRO 580 -2.916 -6.640 -9.461 602 HB2 PRO 580 HB2 PRO 580 -3.663 -4.961 -11.478 603 HB3 PRO 580 HB1 PRO 580 -2.097 -5.774 -11.418 604 HG2 PRO 580 HG2 PRO 580 -4.559 -6.516 -12.946 605 HG3 PRO 580 HG3 PRO 580 -2.865 -6.540 -13.471 606 HD2 PRO 580 HD2 PRO 580 -4.163 -8.779 -12.723 607 HD3 PRO 580 HD3 PRO 580 -2.432 -8.545 -12.412 608 H ALA 581 HN ALA 581 -4.116 -4.842 -8.624 609 HA ALA 581 HA ALA 581 -6.989 -5.366 -8.455 610 HB1 ALA 581 HB1 ALA 581 -5.308 -3.329 -6.986 611 HB2 ALA 581 HB2 ALA 581 -5.715 -4.936 -6.385 612 HB3 ALA 581 HB3 ALA 581 -6.988 -3.742 -6.640 613 H ILE 582 HN ILE 582 -8.536 -4.036 -9.323 614 HA ILE 582 HA ILE 582 -7.494 -1.972 -11.134 615 HB ILE 582 HB ILE 582 -10.134 -3.438 -11.218 616 HG12 ILE 582 HG12 ILE 582 -7.679 -3.704 -12.969 617 HG13 ILE 582 HG13 ILE 582 -8.182 -4.860 -11.741 618 HG21 ILE 582 HG21 ILE 582 -10.419 -2.412 -13.418 619 HG22 ILE 582 HG22 ILE 582 -8.916 -1.514 -13.197 620 HG23 ILE 582 HG23 ILE 582 -10.299 -1.189 -12.152 621 HD11 ILE 582 HD11 ILE 582 -10.221 -5.311 -12.993 622 HD12 ILE 582 HD12 ILE 582 -8.784 -5.610 -13.971 623 HD13 ILE 582 HD13 ILE 582 -9.730 -4.143 -14.219 624 H ILE 583 HN ILE 583 -7.753 0.068 -10.561 625 HA ILE 583 HA ILE 583 -10.256 0.845 -9.208 626 HB ILE 583 HB ILE 583 -7.493 1.975 -8.750 627 HG12 ILE 583 HG12 ILE 583 -8.124 -0.035 -7.427 628 HG13 ILE 583 HG13 ILE 583 -7.862 1.390 -6.428 629 HG21 ILE 583 HG21 ILE 583 -9.124 3.790 -9.010 630 HG22 ILE 583 HG22 ILE 583 -8.519 3.682 -7.357 631 HG23 ILE 583 HG23 ILE 583 -10.122 3.062 -7.751 632 HD11 ILE 583 HD11 ILE 583 -9.780 0.175 -5.648 633 HD12 ILE 583 HD12 ILE 583 -10.517 0.248 -7.249 634 HD13 ILE 583 HD13 ILE 583 -10.288 1.727 -6.315 635 H ASN 584 HN ASN 584 -11.454 1.936 -10.610 636 HA ASN 584 HA ASN 584 -12.114 3.341 -12.262 637 HB2 ASN 584 HB2 ASN 584 -9.566 4.764 -11.474 638 HB3 ASN 584 HB3 ASN 584 -10.710 5.409 -12.643 639 HD21 ASN 584 HD21 ASN 584 -11.133 7.204 -11.400 640 HD22 ASN 584 HD22 ASN 584 -12.084 7.133 -9.959 641 H GLY 585 HN GLY 585 -10.619 1.006 -12.908 642 HA2 GLY 585 HA2 GLY 585 -10.123 0.077 -14.970 643 HA3 GLY 585 HA3 GLY 585 -9.982 1.688 -15.648 644 H GLU 586 HN GLU 586 -8.123 1.694 -12.907 645 HA GLU 586 HA GLU 586 -5.732 1.183 -14.524 646 HB2 GLU 586 HB2 GLU 586 -6.113 2.767 -11.986 647 HB3 GLU 586 HB3 GLU 586 -4.539 2.432 -12.692 648 HG2 GLU 586 HG2 GLU 586 -6.777 3.988 -13.957 649 HG3 GLU 586 HG3 GLU 586 -5.276 4.641 -13.306 650 H LYS 587 HN LYS 587 -4.584 -0.557 -14.210 651 HA LYS 587 HA LYS 587 -4.993 -2.353 -12.041 652 HB2 LYS 587 HB2 LYS 587 -2.726 -2.251 -14.039 653 HB3 LYS 587 HB3 LYS 587 -3.119 -3.611 -12.999 654 HG2 LYS 587 HG2 LYS 587 -5.260 -3.871 -14.136 655 HG3 LYS 587 HG3 LYS 587 -4.874 -2.496 -15.174 656 HD2 LYS 587 HD2 LYS 587 -2.869 -3.732 -15.966 657 HD3 LYS 587 HD3 LYS 587 -3.398 -5.121 -15.018 658 HE2 LYS 587 HE2 LYS 587 -4.059 -5.385 -17.336 659 HE3 LYS 587 HE3 LYS 587 -5.482 -5.196 -16.310 660 HZ1 LYS 587 HZ1 LYS 587 -4.239 -3.017 -17.902 661 HZ2 LYS 587 HZ2 LYS 587 -5.660 -2.910 -16.990 662 HZ3 LYS 587 HZ3 LYS 587 -5.611 -3.893 -18.362 663 H LEU 588 HN LEU 588 -4.324 -2.000 -10.043 664 HA LEU 588 HA LEU 588 -2.298 -0.086 -9.412 665 HB2 LEU 588 HB2 LEU 588 -3.582 -2.111 -7.587 666 HB3 LEU 588 HB1 LEU 588 -2.774 -0.628 -7.119 667 HG LEU 588 HG LEU 588 -5.400 -0.852 -8.582 668 HD11 LEU 588 HD11 LEU 588 -5.641 -1.387 -6.274 669 HD12 LEU 588 HD12 LEU 588 -6.251 0.249 -6.523 670 HD13 LEU 588 HD13 LEU 588 -4.666 0.000 -5.793 671 HD21 LEU 588 HD21 LEU 588 -3.821 1.578 -7.764 672 HD22 LEU 588 HD22 LEU 588 -5.496 1.601 -8.312 673 HD23 LEU 588 HD23 LEU 588 -4.218 1.072 -9.406 674 H LEU 589 HN LEU 589 -0.272 -0.415 -8.668 675 HA LEU 589 HA LEU 589 0.770 -3.161 -8.908 676 HB2 LEU 589 HB2 LEU 589 1.610 -1.495 -10.552 677 HB3 LEU 589 HB1 LEU 589 2.243 -0.545 -9.220 678 HG LEU 589 HG LEU 589 3.690 -2.501 -8.616 679 HD11 LEU 589 HD11 LEU 589 2.642 -3.531 -11.242 680 HD12 LEU 589 HD12 LEU 589 2.447 -4.275 -9.654 681 HD13 LEU 589 HD13 LEU 589 4.045 -4.183 -10.397 682 HD21 LEU 589 HD21 LEU 589 5.293 -2.115 -10.426 683 HD22 LEU 589 HD22 LEU 589 4.572 -0.608 -9.859 684 HD23 LEU 589 HD23 LEU 589 4.029 -1.332 -11.373 685 H ILE 590 HN ILE 590 0.975 -4.010 -6.896 686 HA ILE 590 HA ILE 590 2.094 -2.283 -4.797 687 HB ILE 590 HB ILE 590 0.731 -4.965 -4.468 688 HG12 ILE 590 HG12 ILE 590 -0.278 -2.143 -4.085 689 HG13 ILE 590 HG13 ILE 590 -0.917 -3.367 -5.170 690 HG21 ILE 590 HG21 ILE 590 1.681 -2.943 -2.443 691 HG22 ILE 590 HG22 ILE 590 2.338 -4.556 -2.715 692 HG23 ILE 590 HG23 ILE 590 0.708 -4.364 -2.069 693 HD11 ILE 590 HD11 ILE 590 -1.593 -4.694 -3.196 694 HD12 ILE 590 HD12 ILE 590 -2.387 -3.124 -3.300 695 HD13 ILE 590 HD13 ILE 590 -1.059 -3.365 -2.159 696 H ARG 591 HN ARG 591 4.181 -2.494 -4.375 697 HA ARG 591 HA ARG 591 5.471 -5.097 -4.525 698 HB2 ARG 591 HB2 ARG 591 6.353 -2.708 -6.149 699 HB3 ARG 591 HB3 ARG 591 7.404 -4.073 -5.798 700 HG2 ARG 591 HG2 ARG 591 5.819 -5.565 -6.938 701 HG3 ARG 591 HG3 ARG 591 4.810 -4.171 -7.324 702 HD2 ARG 591 HD2 ARG 591 6.687 -3.190 -8.578 703 HD3 ARG 591 HD3 ARG 591 7.650 -4.624 -8.229 704 HE ARG 591 HE ARG 591 5.422 -5.635 -9.401 705 HH11 ARG 591 HH11 ARG 591 7.759 -3.207 -10.325 706 HH12 ARG 591 HH12 ARG 591 7.494 -3.409 -12.025 707 HH21 ARG 591 HH21 ARG 591 5.086 -5.933 -11.632 708 HH22 ARG 591 HH22 ARG 591 5.983 -4.981 -12.774 709 H MET 592 HN MET 592 7.805 -4.866 -3.687 710 HA MET 592 HA MET 592 7.556 -3.522 -1.145 711 HB2 MET 592 HB2 MET 592 9.730 -5.241 -2.330 712 HB3 MET 592 HB3 MET 592 9.863 -4.490 -0.748 713 HG2 MET 592 HG2 MET 592 7.658 -5.685 -0.217 714 HG3 MET 592 HG3 MET 592 8.005 -6.653 -1.650 715 HE1 MET 592 HE1 MET 592 7.958 -8.859 -0.189 716 HE2 MET 592 HE2 MET 592 7.620 -7.917 1.262 717 HE3 MET 592 HE3 MET 592 8.928 -9.098 1.264 718 H SER 593 HN SER 593 9.030 -1.959 -0.313 719 HA SER 593 HA SER 593 9.914 -0.115 -2.366 720 HB2 SER 593 HB2 SER 593 8.661 0.770 -0.461 721 HB3 SER 593 HB3 SER 593 9.894 0.163 0.645 722 HG SER 593 HG SER 593 9.897 2.402 -0.968 723 H THR 594 HN THR 594 11.907 0.320 -2.878 724 HA THR 594 HA THR 594 14.069 -1.265 -1.746 725 HB THR 594 HB THR 594 15.388 -0.169 -3.634 726 HG1 THR 594 HG1 THR 594 13.667 0.552 -5.308 727 HG21 THR 594 HG21 THR 594 14.467 -2.441 -3.806 728 HG22 THR 594 HG22 THR 594 14.396 -1.602 -5.355 729 HG23 THR 594 HG23 THR 594 12.938 -1.776 -4.381 730 H ARG 595 HN ARG 595 12.692 1.779 -1.277 731 HA ARG 595 HA ARG 595 15.281 3.077 -0.785 732 HB2 ARG 595 HB2 ARG 595 12.575 4.336 -1.252 733 HB3 ARG 595 HB3 ARG 595 14.086 5.209 -1.023 734 HG2 ARG 595 HG2 ARG 595 14.979 4.168 -3.057 735 HG3 ARG 595 HG3 ARG 595 13.443 3.334 -3.289 736 HD2 ARG 595 HD2 ARG 595 12.325 5.554 -3.394 737 HD3 ARG 595 HD3 ARG 595 13.918 6.312 -3.324 738 HE ARG 595 HE ARG 595 13.986 4.484 -5.413 739 HH11 ARG 595 HH11 ARG 595 12.280 7.434 -4.610 740 HH12 ARG 595 HH12 ARG 595 12.000 7.869 -6.265 741 HH21 ARG 595 HH21 ARG 595 13.630 5.062 -7.588 742 HH22 ARG 595 HH22 ARG 595 12.786 6.534 -7.959 743 H TYR 596 HN TYR 596 12.289 2.169 0.785 744 HA TYR 596 HA TYR 596 13.326 3.365 3.273 745 HB2 TYR 596 HB2 TYR 596 10.452 3.285 2.341 746 HB3 TYR 596 HB3 TYR 596 10.961 3.776 3.953 747 HD1 TYR 596 HD1 TYR 596 10.502 4.805 0.529 748 HD2 TYR 596 HD2 TYR 596 12.395 5.827 4.201 749 HE1 TYR 596 HE1 TYR 596 10.796 7.112 -0.267 750 HE2 TYR 596 HE2 TYR 596 12.693 8.134 3.410 751 HH TYR 596 HH TYR 596 11.104 9.358 0.668 752 H LYS 597 HN LYS 597 13.131 2.204 5.141 753 HA LYS 597 HA LYS 597 12.039 -0.512 4.871 754 HB2 LYS 597 HB2 LYS 597 14.164 0.562 6.715 755 HB3 LYS 597 HB3 LYS 597 13.407 -1.008 6.947 756 HG2 LYS 597 HG2 LYS 597 15.359 -1.510 5.811 757 HG3 LYS 597 HG3 LYS 597 14.147 -1.480 4.530 758 HD2 LYS 597 HD2 LYS 597 14.809 0.895 4.087 759 HD3 LYS 597 HD3 LYS 597 16.143 0.667 5.221 760 HE2 LYS 597 HE2 LYS 597 16.840 -1.300 3.811 761 HE3 LYS 597 HE3 LYS 597 15.659 -0.758 2.619 762 HZ1 LYS 597 HZ1 LYS 597 17.768 0.119 2.020 763 HZ2 LYS 597 HZ2 LYS 597 18.045 0.716 3.576 764 HZ3 LYS 597 HZ3 LYS 597 16.846 1.412 2.609 765 H GLU 598 HN GLU 598 11.308 2.485 6.232 766 HA GLU 598 HA GLU 598 9.385 1.200 7.998 767 HB2 GLU 598 HB2 GLU 598 11.327 1.659 9.421 768 HB3 GLU 598 HB3 GLU 598 11.315 3.340 8.914 769 HG2 GLU 598 HG2 GLU 598 9.117 3.628 9.962 770 HG3 GLU 598 HG3 GLU 598 9.166 1.946 10.488 771 H LEU 599 HN LEU 599 7.561 2.397 8.350 772 HA LEU 599 HA LEU 599 7.250 4.792 6.684 773 HB2 LEU 599 HB2 LEU 599 5.149 3.088 8.012 774 HB3 LEU 599 HB1 LEU 599 4.815 4.505 7.037 775 HG LEU 599 HG LEU 599 5.939 1.865 6.124 776 HD11 LEU 599 HD11 LEU 599 3.441 2.289 6.411 777 HD12 LEU 599 HD12 LEU 599 3.992 1.682 4.849 778 HD13 LEU 599 HD13 LEU 599 3.602 3.392 5.043 779 HD21 LEU 599 HD21 LEU 599 7.214 3.633 5.036 780 HD22 LEU 599 HD22 LEU 599 5.711 4.427 4.558 781 HD23 LEU 599 HD23 LEU 599 6.120 2.845 3.900 782 H GLN 600 HN GLN 600 7.303 6.713 7.516 783 HA GLN 600 HA GLN 600 6.772 7.083 10.373 784 HB2 GLN 600 HB2 GLN 600 8.925 7.931 9.559 785 HB3 GLN 600 HB3 GLN 600 8.099 8.913 8.361 786 HG2 GLN 600 HG2 GLN 600 7.015 10.166 10.199 787 HG3 GLN 600 HG3 GLN 600 7.973 9.233 11.349 788 HE21 GLN 600 HE21 GLN 600 7.936 12.108 10.838 789 HE22 GLN 600 HE22 GLN 600 9.560 12.537 10.430 790 H LEU 601 HN LEU 601 4.715 7.585 10.805 791 HA LEU 601 HA LEU 601 2.993 8.712 8.801 792 HB2 LEU 601 HB2 LEU 601 2.528 8.102 11.715 793 HB3 LEU 601 HB1 LEU 601 1.292 8.709 10.637 794 HG LEU 601 HG LEU 601 2.632 6.006 10.574 795 HD11 LEU 601 HD11 LEU 601 0.771 6.310 12.129 796 HD12 LEU 601 HD12 LEU 601 0.338 5.221 10.811 797 HD13 LEU 601 HD13 LEU 601 -0.245 6.886 10.808 798 HD21 LEU 601 HD21 LEU 601 1.280 5.547 8.566 799 HD22 LEU 601 HD22 LEU 601 2.494 6.793 8.274 800 HD23 LEU 601 HD23 LEU 601 0.805 7.245 8.507 801 H LYS 602 HN LYS 602 3.446 10.795 8.293 802 HA LYS 602 HA LYS 602 3.761 12.794 10.360 803 HB2 LYS 602 HB2 LYS 602 3.270 13.155 7.396 804 HB3 LYS 602 HB3 LYS 602 3.741 14.419 8.520 805 HG2 LYS 602 HG2 LYS 602 5.810 12.912 8.951 806 HG3 LYS 602 HG3 LYS 602 5.362 12.169 7.413 807 HD2 LYS 602 HD2 LYS 602 6.076 15.049 7.936 808 HD3 LYS 602 HD3 LYS 602 6.942 13.889 6.931 809 HE2 LYS 602 HE2 LYS 602 5.130 13.849 5.339 810 HE3 LYS 602 HE3 LYS 602 4.147 14.877 6.378 811 HZ1 LYS 602 HZ1 LYS 602 6.674 15.651 5.029 812 HZ2 LYS 602 HZ2 LYS 602 5.811 16.637 6.094 813 HZ3 LYS 602 HZ3 LYS 602 5.119 16.175 4.623 814 H LYS 603 HN LYS 603 1.237 11.231 8.722 815 HA LYS 603 HA LYS 603 -0.713 13.248 9.604 816 HB2 LYS 603 HB2 LYS 603 -0.908 11.294 7.296 817 HB3 LYS 603 HB3 LYS 603 -2.198 12.369 7.815 818 HG2 LYS 603 HG2 LYS 603 0.473 13.181 6.686 819 HG3 LYS 603 HG3 LYS 603 -1.095 13.284 5.881 820 HD2 LYS 603 HD2 LYS 603 -1.850 14.857 7.635 821 HD3 LYS 603 HD3 LYS 603 -0.237 14.798 8.346 822 HE2 LYS 603 HE2 LYS 603 -0.392 16.764 6.997 823 HE3 LYS 603 HE3 LYS 603 0.683 15.622 6.194 824 HZ1 LYS 603 HZ1 LYS 603 -1.108 15.011 4.706 825 HZ2 LYS 603 HZ2 LYS 603 -0.877 16.686 4.654 826 HZ3 LYS 603 HZ3 LYS 603 -2.181 16.039 5.514 827 HA PRO 604 HA PRO 604 -2.378 10.236 12.373 828 HB2 PRO 604 HB2 PRO 604 -5.023 11.003 12.280 829 HB3 PRO 604 HB1 PRO 604 -3.787 11.794 13.261 830 HG2 PRO 604 HG2 PRO 604 -4.896 12.591 10.605 831 HG3 PRO 604 HG3 PRO 604 -4.458 13.606 11.990 832 HD2 PRO 604 HD2 PRO 604 -2.876 13.384 9.825 833 HD3 PRO 604 HD3 PRO 604 -2.211 13.578 11.459 834 H GLY 605 HN GLY 605 -3.567 8.340 12.401 835 HA2 GLY 605 HA2 GLY 605 -4.382 7.392 9.731 836 HA3 GLY 605 HA3 GLY 605 -3.683 6.387 10.994 837 H LYS 606 HN LYS 606 -5.051 7.087 13.153 838 HA LYS 606 HA LYS 606 -6.989 6.795 14.340 839 HB2 LYS 606 HB2 LYS 606 -8.515 6.680 11.734 840 HB3 LYS 606 HB3 LYS 606 -9.160 6.985 13.338 841 HG2 LYS 606 HG2 LYS 606 -8.121 9.139 13.419 842 HG3 LYS 606 HG3 LYS 606 -7.255 8.827 11.916 843 HD2 LYS 606 HD2 LYS 606 -10.245 9.084 12.243 844 HD3 LYS 606 HD3 LYS 606 -9.169 10.270 11.508 845 HE2 LYS 606 HE2 LYS 606 -9.791 7.500 10.481 846 HE3 LYS 606 HE3 LYS 606 -10.307 9.028 9.776 847 HZ1 LYS 606 HZ1 LYS 606 -7.949 9.547 9.373 848 HZ2 LYS 606 HZ2 LYS 606 -8.460 8.161 8.550 849 HZ3 LYS 606 HZ3 LYS 606 -7.522 8.010 9.949 850 H ASN 607 HN ASN 607 -8.996 5.063 14.230 851 HA ASN 607 HA ASN 607 -7.808 2.538 14.281 852 HB2 ASN 607 HB2 ASN 607 -9.822 3.112 15.555 853 HB3 ASN 607 HB3 ASN 607 -10.738 3.261 14.060 854 HD21 ASN 607 HD21 ASN 607 -12.188 1.692 14.751 855 HD22 ASN 607 HD22 ASN 607 -11.782 0.012 14.774 856 H VAL 608 HN VAL 608 -7.217 1.234 12.713 857 HA VAL 608 HA VAL 608 -8.295 1.594 10.018 858 HB VAL 608 HB VAL 608 -5.882 0.085 11.047 859 HG11 VAL 608 HG11 VAL 608 -6.866 0.275 8.206 860 HG12 VAL 608 HG12 VAL 608 -6.827 -1.182 9.196 861 HG13 VAL 608 HG13 VAL 608 -5.319 -0.404 8.713 862 HG21 VAL 608 HG21 VAL 608 -4.622 1.714 9.743 863 HG22 VAL 608 HG22 VAL 608 -5.651 2.517 10.929 864 HG23 VAL 608 HG23 VAL 608 -6.126 2.482 9.229 865 H ALA 609 HN ALA 609 -8.396 -0.585 12.708 866 HA ALA 609 HA ALA 609 -9.249 -2.945 11.486 867 HB1 ALA 609 HB1 ALA 609 -10.136 -1.847 14.151 868 HB2 ALA 609 HB2 ALA 609 -8.675 -2.790 13.859 869 HB3 ALA 609 HB3 ALA 609 -10.261 -3.526 13.626 870 H ALA 610 HN ALA 610 -10.969 0.021 12.083 871 HA ALA 610 HA ALA 610 -13.604 -0.917 11.689 872 HB1 ALA 610 HB1 ALA 610 -12.481 1.821 11.100 873 HB2 ALA 610 HB2 ALA 610 -13.081 1.276 12.667 874 HB3 ALA 610 HB3 ALA 610 -14.184 1.409 11.298 875 H ILE 611 HN ILE 611 -10.996 -0.141 9.540 876 HA ILE 611 HA ILE 611 -12.534 0.013 7.142 877 HB ILE 611 HB ILE 611 -9.574 -0.532 7.528 878 HG12 ILE 611 HG12 ILE 611 -11.048 2.016 6.822 879 HG13 ILE 611 HG13 ILE 611 -10.357 1.651 8.398 880 HG21 ILE 611 HG21 ILE 611 -11.056 0.290 5.032 881 HG22 ILE 611 HG22 ILE 611 -10.397 -1.315 5.347 882 HG23 ILE 611 HG23 ILE 611 -9.312 0.067 5.192 883 HD11 ILE 611 HD11 ILE 611 -8.847 2.004 5.823 884 HD12 ILE 611 HD12 ILE 611 -8.124 1.563 7.368 885 HD13 ILE 611 HD13 ILE 611 -8.908 3.133 7.174 886 H ILE 612 HN ILE 612 -10.975 -2.580 8.959 887 HA ILE 612 HA ILE 612 -11.270 -4.678 7.131 888 HB ILE 612 HB ILE 612 -11.645 -4.810 10.137 889 HG12 ILE 612 HG12 ILE 612 -9.146 -5.322 8.516 890 HG13 ILE 612 HG13 ILE 612 -9.464 -3.837 9.407 891 HG21 ILE 612 HG21 ILE 612 -11.033 -7.169 9.910 892 HG22 ILE 612 HG22 ILE 612 -10.971 -6.983 8.158 893 HG23 ILE 612 HG23 ILE 612 -12.502 -6.790 9.011 894 HD11 ILE 612 HD11 ILE 612 -9.202 -6.587 10.595 895 HD12 ILE 612 HD12 ILE 612 -9.515 -5.100 11.490 896 HD13 ILE 612 HD13 ILE 612 -7.985 -5.312 10.639 897 H GLN 613 HN GLN 613 -13.515 -3.369 9.537 898 HA GLN 613 HA GLN 613 -15.670 -5.110 8.944 899 HB2 GLN 613 HB2 GLN 613 -15.730 -2.302 10.067 900 HB3 GLN 613 HB3 GLN 613 -17.056 -3.458 10.127 901 HG2 GLN 613 HG2 GLN 613 -15.761 -4.927 11.535 902 HG3 GLN 613 HG3 GLN 613 -14.363 -3.861 11.404 903 HE21 GLN 613 HE21 GLN 613 -14.260 -3.555 13.617 904 HE22 GLN 613 HE22 GLN 613 -15.404 -2.587 14.467 905 H ASP 614 HN ASP 614 -14.531 -2.150 7.571 906 HA ASP 614 HA ASP 614 -16.774 -1.513 5.960 907 HB2 ASP 614 HB2 ASP 614 -14.850 0.035 6.480 908 HB3 ASP 614 HB3 ASP 614 -13.883 -0.883 5.332 909 H ILE 615 HN ILE 615 -13.811 -3.345 5.332 910 HA ILE 615 HA ILE 615 -14.300 -4.078 2.679 911 HB ILE 615 HB ILE 615 -12.884 -5.672 4.827 912 HG12 ILE 615 HG12 ILE 615 -11.750 -3.834 2.708 913 HG13 ILE 615 HG13 ILE 615 -11.963 -3.399 4.404 914 HG21 ILE 615 HG21 ILE 615 -11.774 -6.835 2.990 915 HG22 ILE 615 HG22 ILE 615 -12.741 -5.930 1.824 916 HG23 ILE 615 HG23 ILE 615 -13.520 -7.066 2.924 917 HD11 ILE 615 HD11 ILE 615 -9.692 -3.996 4.047 918 HD12 ILE 615 HD12 ILE 615 -10.155 -5.515 3.280 919 HD13 ILE 615 HD13 ILE 615 -10.449 -5.268 5.002 920 H HIS 616 HN HIS 616 -15.198 -5.701 5.709 921 HA HIS 616 HA HIS 616 -16.425 -7.936 4.506 922 HB2 HIS 616 HB2 HIS 616 -16.617 -6.708 7.234 923 HB3 HIS 616 HB3 HIS 616 -17.679 -8.036 6.783 924 HD1 HIS 616 HD1 HIS 616 -16.762 -10.330 7.052 925 HD2 HIS 616 HD2 HIS 616 -13.776 -7.435 7.081 926 HE1 HIS 616 HE1 HIS 616 -14.637 -11.552 7.622 927 HE2 HIS 616 HE2 HIS 616 -12.839 -9.787 7.620 928 H SER 617 HN SER 617 -17.588 -4.724 5.138 929 HA SER 617 HA SER 617 -20.339 -5.337 4.777 930 HB2 SER 617 HB2 SER 617 -18.893 -2.691 4.532 931 HB3 SER 617 HB3 SER 617 -20.640 -2.901 4.653 932 HG SER 617 HG SER 617 -18.663 -3.480 6.608 933 H GLN 618 HN GLN 618 -17.708 -4.341 2.674 934 HA GLN 618 HA GLN 618 -19.431 -4.030 0.370 935 HB2 GLN 618 HB2 GLN 618 -16.419 -4.079 0.586 936 HB3 GLN 618 HB3 GLN 618 -17.324 -3.664 -0.860 937 HG2 GLN 618 HG2 GLN 618 -18.298 -1.745 0.356 938 HG3 GLN 618 HG3 GLN 618 -17.266 -2.140 1.732 939 HE21 GLN 618 HE21 GLN 618 -17.388 -0.877 -1.490 940 HE22 GLN 618 HE22 GLN 618 -15.774 -0.261 -1.533 941 H ARG 619 HN ARG 619 -17.301 -6.447 1.731 942 HA ARG 619 HA ARG 619 -16.793 -8.583 1.180 943 HB2 ARG 619 HB2 ARG 619 -19.301 -8.352 -0.500 944 HB3 ARG 619 HB3 ARG 619 -18.423 -9.853 -0.236 945 HG2 ARG 619 HG2 ARG 619 -18.898 -9.802 2.104 946 HG3 ARG 619 HG3 ARG 619 -19.582 -8.181 1.980 947 HD2 ARG 619 HD2 ARG 619 -21.394 -9.029 0.608 948 HD3 ARG 619 HD3 ARG 619 -20.692 -10.646 0.642 949 HE ARG 619 HE ARG 619 -21.118 -10.637 3.069 950 HH11 ARG 619 HH11 ARG 619 -22.936 -8.423 1.046 951 HH12 ARG 619 HH12 ARG 619 -24.246 -8.276 2.172 952 HH21 ARG 619 HH21 ARG 619 -22.843 -10.441 4.542 953 HH22 ARG 619 HH22 ARG 619 -24.196 -9.425 4.159 954 H GLU 620 HN GLU 620 -15.020 -7.249 0.156 955 HA GLU 620 HA GLU 620 -15.102 -7.064 -2.740 956 HB2 GLU 620 HB2 GLU 620 -13.036 -6.170 -0.727 957 HB3 GLU 620 HB3 GLU 620 -12.911 -5.907 -2.461 958 HG2 GLU 620 HG2 GLU 620 -15.094 -4.838 -0.688 959 HG3 GLU 620 HG3 GLU 620 -13.702 -3.924 -1.265 960 H ARG 621 HN ARG 621 -15.196 -9.535 -2.666 961 HA ARG 621 HA ARG 621 -14.249 -11.438 -3.451 962 HB2 ARG 621 HB2 ARG 621 -13.065 -9.797 -4.944 963 HB3 ARG 621 HB3 ARG 621 -11.720 -9.833 -3.816 964 HG2 ARG 621 HG2 ARG 621 -11.426 -12.219 -4.228 965 HG3 ARG 621 HG3 ARG 621 -12.789 -12.192 -5.351 966 HD2 ARG 621 HD2 ARG 621 -11.551 -10.465 -6.673 967 HD3 ARG 621 HD3 ARG 621 -10.166 -10.742 -5.621 968 HE ARG 621 HE ARG 621 -10.909 -13.218 -6.615 969 HH11 ARG 621 HH11 ARG 621 -9.758 -10.159 -7.848 970 HH12 ARG 621 HH12 ARG 621 -8.994 -10.856 -9.242 971 HH21 ARG 621 HH21 ARG 621 -9.890 -14.158 -8.448 972 HH22 ARG 621 HH22 ARG 621 -9.072 -13.131 -9.586 Start of MODEL 14 1 HO5' ADN 1 H5T ADE 1 11.705 -2.521 -12.163 2 H5'1 ADN 1 H5' ADE 1 12.973 -1.069 -10.870 3 H5'2 ADN 1 H5'' ADE 1 11.444 -0.451 -10.227 4 H4' ADN 1 H4' ADE 1 12.804 0.198 -12.660 5 H3' ADN 1 H3' ADE 1 11.455 1.714 -10.924 6 H2' ADN 1 H2' ADE 1 9.260 0.769 -11.319 7 HO2' ADN 1 HO2' ADE 1 9.243 3.069 -11.849 8 H1' ADN 1 H1' ADE 1 9.849 0.811 -14.330 9 H8 ADN 1 H8 ADE 1 9.268 -2.436 -12.648 10 HN61 ADN 1 H61 ADE 1 4.606 -3.139 -13.825 11 HN62 ADN 1 H62 ADE 1 3.381 -2.110 -14.533 12 H2 ADN 1 H2 ADE 1 5.306 1.876 -15.262 13 H5' U 2 H5' URI 2 11.082 4.759 -9.777 14 H5'' U 2 H5'' URI 2 9.980 3.402 -10.082 15 H4' U 2 H4' URI 2 9.405 6.341 -10.397 16 H3' U 2 H3' URI 2 9.222 5.032 -8.044 17 H2' U 2 H2' URI 2 7.719 3.298 -8.849 18 HO2' U 2 HO2' URI 2 6.363 5.501 -7.739 19 H1' U 2 H1' URI 2 6.257 5.586 -10.310 20 H3 U 2 H3 URI 2 3.286 3.225 -12.599 21 H5 U 2 H5 URI 2 5.903 0.259 -11.197 22 H6 U 2 H6 URI 2 7.273 2.007 -10.277 23 H5' C 3 H5' CYT 3 7.022 8.635 -6.051 24 H5'' C 3 H5'' CYT 3 8.469 9.368 -5.337 25 H4' C 3 H4' CYT 3 6.601 8.369 -3.832 26 H3' C 3 H3' CYT 3 9.092 9.083 -3.172 27 H2' C 3 H2' CYT 3 10.161 6.994 -3.793 28 HO2' C 3 HO2' CYT 3 9.275 6.714 -1.092 29 H1' C 3 H1' CYT 3 7.827 5.530 -2.437 30 H41 C 3 H41 CYT 3 10.845 1.316 -6.556 31 H42 C 3 H42 CYT 3 10.810 0.546 -4.987 32 H5 C 3 H5 CYT 3 10.005 3.552 -6.944 33 H6 C 3 H6 CYT 3 9.017 5.520 -5.899 34 H5' U 4 H5' URI 4 6.515 10.922 -1.372 35 H5'' U 4 H5'' URI 4 7.517 11.888 -0.273 36 H4' U 4 H4' URI 4 4.758 11.638 -0.242 37 H3' U 4 H3' URI 4 6.363 13.440 0.878 38 H2' U 4 H2' URI 4 7.286 11.963 2.589 39 HO2' U 4 HO2' URI 4 4.973 13.301 3.578 40 H1' U 4 H1' URI 4 4.414 11.008 3.125 41 H3 U 4 H3 URI 4 6.334 8.828 6.603 42 H5 U 4 H5 URI 4 8.092 7.150 3.182 43 H6 U 4 H6 URI 4 7.024 8.875 1.884 44 H5' U 5 H5' URI 5 2.795 12.976 -0.784 45 H5'' U 5 H5'' URI 5 1.920 14.336 -1.514 46 H4' U 5 H4' URI 5 0.294 12.744 -1.066 47 H3' U 5 H3' URI 5 -0.102 15.147 0.096 48 H2' U 5 H2' URI 5 0.827 14.514 2.265 49 HO2' U 5 HO2' URI 5 -1.888 13.629 2.420 50 H1' U 5 H1' URI 5 -0.717 11.884 1.854 51 H3 U 5 H3 URI 5 0.320 9.953 5.676 52 H5 U 5 H5 URI 5 3.699 12.340 4.959 53 H6 U 5 H6 URI 5 2.628 13.126 2.949 54 H5' A 6 H5' ADE 6 -4.746 15.491 -1.914 55 H5'' A 6 H5'' ADE 6 -3.812 15.583 -3.419 56 H4' A 6 H4' ADE 6 -4.283 17.601 -1.334 57 H3' A 6 H3' ADE 6 -4.887 17.642 -3.953 58 HO3' A 6 H3T ADE 6 -3.982 19.935 -2.616 59 H2' A 6 H2' ADE 6 -2.599 17.490 -4.757 60 HO2' A 6 HO2' ADE 6 -3.753 19.925 -4.826 61 H1' A 6 H1' ADE 6 -1.878 19.530 -2.568 62 H8 A 6 H8 ADE 6 -0.421 18.643 -5.495 63 H61 A 6 H61 ADE 6 4.099 17.342 -4.288 64 H62 A 6 H62 ADE 6 4.849 16.863 -2.782 65 H2 A 6 H2 ADE 6 1.649 17.011 0.359 66 H1 GLY 510 HT1 GLY 510 23.828 -3.123 -0.670 67 H2 GLY 510 HT2 GLY 510 22.590 -4.240 -0.925 68 H3 GLY 510 HT3 GLY 510 22.272 -2.804 -0.096 69 HA2 GLY 510 HA3 GLY 510 22.808 -1.536 -2.113 70 HA3 GLY 510 HA2 GLY 510 22.996 -3.067 -2.957 71 H ALA 511 HN ALA 511 21.292 -2.112 -4.346 72 HA ALA 511 HA ALA 511 18.635 -1.904 -3.218 73 HB1 ALA 511 HB1 ALA 511 17.939 -1.338 -5.490 74 HB2 ALA 511 HB2 ALA 511 19.545 -1.748 -6.091 75 HB3 ALA 511 HB3 ALA 511 19.335 -0.380 -4.998 76 H MET 512 HN MET 512 19.238 -4.276 -2.527 77 HA MET 512 HA MET 512 17.436 -5.996 -3.877 78 HB2 MET 512 HB2 MET 512 19.291 -6.275 -5.440 79 HB3 MET 512 HB3 MET 512 20.389 -6.628 -4.116 80 HG2 MET 512 HG2 MET 512 19.264 -8.692 -3.652 81 HG3 MET 512 HG3 MET 512 18.001 -8.315 -4.822 82 HE1 MET 512 HE1 MET 512 19.552 -7.149 -7.294 83 HE2 MET 512 HE2 MET 512 18.280 -8.365 -7.389 84 HE3 MET 512 HE3 MET 512 19.809 -8.621 -8.229 85 H ALA 513 HN ALA 513 16.870 -7.731 -2.555 86 HA ALA 513 HA ALA 513 16.486 -8.723 -0.543 87 HB1 ALA 513 HB1 ALA 513 18.430 -9.547 0.684 88 HB2 ALA 513 HB2 ALA 513 19.480 -8.482 -0.250 89 HB3 ALA 513 HB3 ALA 513 18.627 -9.801 -1.051 90 H GLN 514 HN GLN 514 15.627 -6.357 -0.333 91 HA GLN 514 HA GLN 514 16.959 -4.528 1.344 92 HB2 GLN 514 HB2 GLN 514 14.011 -4.791 0.765 93 HB3 GLN 514 HB3 GLN 514 14.755 -3.426 1.562 94 HG2 GLN 514 HG2 GLN 514 14.408 -2.762 -0.652 95 HG3 GLN 514 HG3 GLN 514 16.130 -3.085 -0.509 96 HE21 GLN 514 HE21 GLN 514 13.602 -5.544 -0.881 97 HE22 GLN 514 HE22 GLN 514 14.111 -6.065 -2.440 98 H ARG 515 HN ARG 515 17.064 -4.333 3.491 99 HA ARG 515 HA ARG 515 16.120 -6.439 5.168 100 HB2 ARG 515 HB2 ARG 515 17.409 -3.780 5.771 101 HB3 ARG 515 HB3 ARG 515 16.956 -4.931 7.020 102 HG2 ARG 515 HG2 ARG 515 18.444 -6.595 5.992 103 HG3 ARG 515 HG3 ARG 515 18.935 -5.387 4.801 104 HD2 ARG 515 HD2 ARG 515 20.526 -5.599 6.681 105 HD3 ARG 515 HD3 ARG 515 19.842 -3.982 6.531 106 HE ARG 515 HE ARG 515 18.215 -4.898 8.335 107 HH11 ARG 515 HH11 ARG 515 21.614 -5.646 8.083 108 HH12 ARG 515 HH12 ARG 515 21.838 -5.821 9.794 109 HH21 ARG 515 HH21 ARG 515 18.489 -5.124 10.594 110 HH22 ARG 515 HH22 ARG 515 20.053 -5.533 11.223 111 H LYS 516 HN LYS 516 14.144 -6.641 5.964 112 HA LYS 516 HA LYS 516 12.608 -4.193 6.531 113 HB2 LYS 516 HB2 LYS 516 11.461 -6.786 5.469 114 HB3 LYS 516 HB3 LYS 516 10.559 -5.325 5.831 115 HG2 LYS 516 HG2 LYS 516 12.596 -5.692 3.646 116 HG3 LYS 516 HG3 LYS 516 10.852 -5.534 3.455 117 HD2 LYS 516 HD2 LYS 516 11.003 -3.248 4.408 118 HD3 LYS 516 HD3 LYS 516 12.760 -3.420 4.462 119 HE2 LYS 516 HE2 LYS 516 12.569 -3.963 1.956 120 HE3 LYS 516 HE3 LYS 516 10.950 -3.279 2.071 121 HZ1 LYS 516 HZ1 LYS 516 11.955 -1.212 2.895 122 HZ2 LYS 516 HZ2 LYS 516 12.519 -1.614 1.351 123 HZ3 LYS 516 HZ3 LYS 516 13.497 -1.882 2.706 124 H GLY 517 HN GLY 517 14.200 -5.357 8.424 125 HA2 GLY 517 HA2 GLY 517 12.597 -7.192 10.018 126 HA3 GLY 517 HA3 GLY 517 14.221 -6.633 10.388 127 H ALA 518 HN ALA 518 14.351 -4.232 10.927 128 HA ALA 518 HA ALA 518 12.241 -3.614 12.854 129 HB1 ALA 518 HB1 ALA 518 14.564 -3.536 13.629 130 HB2 ALA 518 HB2 ALA 518 13.800 -1.950 13.734 131 HB3 ALA 518 HB3 ALA 518 14.926 -2.300 12.424 132 H GLY 519 HN GLY 519 11.003 -3.307 10.687 133 HA2 GLY 519 HA2 GLY 519 9.844 -1.090 10.136 134 HA3 GLY 519 HA3 GLY 519 11.450 -0.609 9.595 135 H ARG 520 HN ARG 520 8.610 -1.452 8.363 136 HA ARG 520 HA ARG 520 9.963 -2.628 6.032 137 HB2 ARG 520 HB2 ARG 520 7.152 -3.362 6.826 138 HB3 ARG 520 HB3 ARG 520 8.133 -4.081 5.561 139 HG2 ARG 520 HG2 ARG 520 9.695 -4.815 7.449 140 HG3 ARG 520 HG3 ARG 520 8.355 -4.416 8.526 141 HD2 ARG 520 HD2 ARG 520 8.416 -6.448 6.310 142 HD3 ARG 520 HD3 ARG 520 8.144 -6.721 8.030 143 HE ARG 520 HE ARG 520 5.999 -5.590 7.779 144 HH11 ARG 520 HH11 ARG 520 7.599 -6.640 4.839 145 HH12 ARG 520 HH12 ARG 520 6.133 -6.717 3.925 146 HH21 ARG 520 HH21 ARG 520 4.078 -5.708 6.593 147 HH22 ARG 520 HH22 ARG 520 4.117 -6.195 4.924 148 H VAL 521 HN VAL 521 9.512 -1.682 4.162 149 HA VAL 521 HA VAL 521 7.188 0.112 4.042 150 HB VAL 521 HB VAL 521 9.738 0.367 2.455 151 HG11 VAL 521 HG11 VAL 521 8.618 2.572 1.793 152 HG12 VAL 521 HG12 VAL 521 7.119 1.811 2.331 153 HG13 VAL 521 HG13 VAL 521 8.048 1.094 1.022 154 HG21 VAL 521 HG21 VAL 521 10.071 2.429 3.681 155 HG22 VAL 521 HG22 VAL 521 9.954 1.067 4.794 156 HG23 VAL 521 HG23 VAL 521 8.583 2.153 4.580 157 H VAL 522 HN VAL 522 5.617 -0.561 2.791 158 HA VAL 522 HA VAL 522 6.286 -2.145 0.397 159 HB VAL 522 HB VAL 522 3.657 -2.225 1.896 160 HG11 VAL 522 HG11 VAL 522 4.744 -3.945 -0.330 161 HG12 VAL 522 HG12 VAL 522 3.454 -2.749 -0.464 162 HG13 VAL 522 HG13 VAL 522 3.214 -4.200 0.510 163 HG21 VAL 522 HG21 VAL 522 5.917 -4.222 1.957 164 HG22 VAL 522 HG22 VAL 522 4.321 -4.456 2.672 165 HG23 VAL 522 HG23 VAL 522 5.390 -3.198 3.292 166 H HIS 523 HN HIS 523 5.842 -1.022 -1.474 167 HA HIS 523 HA HIS 523 4.369 1.482 -1.124 168 HB2 HIS 523 HB2 HIS 523 6.683 1.806 -1.726 169 HB3 HIS 523 HB3 HIS 523 6.560 0.640 -3.034 170 HD1 HIS 523 HD1 HIS 523 5.977 1.530 -5.283 171 HD2 HIS 523 HD2 HIS 523 5.252 4.290 -2.262 172 HE1 HIS 523 HE1 HIS 523 5.434 3.683 -6.453 173 HE2 HIS 523 HE2 HIS 523 5.274 5.386 -4.611 174 H ILE 524 HN ILE 524 2.619 1.875 -2.282 175 HA ILE 524 HA ILE 524 1.837 -0.068 -4.348 176 HB ILE 524 HB ILE 524 0.056 1.730 -2.686 177 HG12 ILE 524 HG12 ILE 524 0.644 -1.228 -2.465 178 HG13 ILE 524 HG13 ILE 524 1.069 0.013 -1.298 179 HG21 ILE 524 HG21 ILE 524 -1.766 0.298 -3.604 180 HG22 ILE 524 HG22 ILE 524 -0.582 -0.433 -4.688 181 HG23 ILE 524 HG23 ILE 524 -0.951 1.285 -4.817 182 HD11 ILE 524 HD11 ILE 524 -1.729 -0.810 -2.021 183 HD12 ILE 524 HD12 ILE 524 -1.271 0.381 -0.804 184 HD13 ILE 524 HD13 ILE 524 -0.840 -1.319 -0.584 185 H CYS 525 HN CYS 525 1.245 0.732 -6.346 186 HA CYS 525 HA CYS 525 1.432 3.640 -6.693 187 HB2 CYS 525 HB2 CYS 525 3.619 2.570 -7.220 188 HB3 CYS 525 HB3 CYS 525 2.816 1.604 -8.450 189 HG CYS 525 HG CYS 525 2.425 3.540 -10.245 190 H ASN 526 HN ASN 526 0.530 4.417 -8.658 191 HA ASN 526 HA ASN 526 -0.646 4.391 -10.623 192 HB2 ASN 526 HB2 ASN 526 -1.103 1.456 -10.072 193 HB3 ASN 526 HB3 ASN 526 -1.727 2.306 -11.481 194 HD21 ASN 526 HD21 ASN 526 0.091 0.066 -11.385 195 HD22 ASN 526 HD22 ASN 526 1.548 0.580 -12.166 196 H LEU 527 HN LEU 527 -1.497 4.967 -7.944 197 HA LEU 527 HA LEU 527 -4.346 4.339 -7.942 198 HB2 LEU 527 HB2 LEU 527 -2.564 5.846 -6.030 199 HB3 LEU 527 HB1 LEU 527 -4.301 5.750 -5.835 200 HG LEU 527 HG LEU 527 -2.505 3.325 -5.894 201 HD11 LEU 527 HD11 LEU 527 -1.902 4.728 -4.004 202 HD12 LEU 527 HD12 LEU 527 -2.778 3.299 -3.455 203 HD13 LEU 527 HD13 LEU 527 -3.598 4.856 -3.538 204 HD21 LEU 527 HD21 LEU 527 -5.346 3.735 -4.968 205 HD22 LEU 527 HD22 LEU 527 -4.441 2.222 -4.906 206 HD23 LEU 527 HD23 LEU 527 -4.858 2.938 -6.462 207 HA PRO 528 HA PRO 528 -4.839 8.085 -10.283 208 HB2 PRO 528 HB2 PRO 528 -7.712 7.842 -9.966 209 HB3 PRO 528 HB1 PRO 528 -6.736 7.611 -11.415 210 HG2 PRO 528 HG2 PRO 528 -8.024 5.581 -10.109 211 HG3 PRO 528 HG3 PRO 528 -6.572 5.357 -11.097 212 HD2 PRO 528 HD2 PRO 528 -6.848 5.489 -8.129 213 HD3 PRO 528 HD3 PRO 528 -5.765 4.494 -9.126 214 H GLU 529 HN GLU 529 -4.796 10.130 -9.621 215 HA GLU 529 HA GLU 529 -5.505 10.984 -7.036 216 HB2 GLU 529 HB2 GLU 529 -3.856 12.177 -8.341 217 HB3 GLU 529 HB3 GLU 529 -5.043 12.519 -9.592 218 HG2 GLU 529 HG2 GLU 529 -6.308 13.864 -7.916 219 HG3 GLU 529 HG3 GLU 529 -4.960 13.636 -6.804 220 H GLY 530 HN GLY 530 -7.389 11.788 -6.214 221 HA2 GLY 530 HA2 GLY 530 -9.617 12.541 -6.292 222 HA3 GLY 530 HA3 GLY 530 -9.638 12.231 -8.026 223 H SER 531 HN SER 531 -8.174 9.703 -6.516 224 HA SER 531 HA SER 531 -10.574 8.171 -5.963 225 HB2 SER 531 HB2 SER 531 -8.624 7.408 -8.151 226 HB3 SER 531 HB3 SER 531 -9.978 6.419 -7.594 227 HG SER 531 HG SER 531 -11.136 8.610 -8.135 228 H CYS 532 HN CYS 532 -7.689 9.120 -5.014 229 HA CYS 532 HA CYS 532 -6.636 6.549 -4.111 230 HB2 CYS 532 HB2 CYS 532 -5.588 9.344 -3.606 231 HB3 CYS 532 HB3 CYS 532 -4.763 7.846 -3.206 232 HG CYS 532 HG CYS 532 -5.560 8.259 -6.449 233 H THR 533 HN THR 533 -8.415 6.028 -2.710 234 HA THR 533 HA THR 533 -8.829 7.887 -0.482 235 HB THR 533 HB THR 533 -10.792 6.624 0.059 236 HG1 THR 533 HG1 THR 533 -10.974 4.746 -1.781 237 HG21 THR 533 HG21 THR 533 -12.088 6.709 -2.033 238 HG22 THR 533 HG22 THR 533 -10.586 6.865 -2.945 239 HG23 THR 533 HG23 THR 533 -11.079 8.141 -1.832 240 H GLU 534 HN GLU 534 -8.594 7.147 1.679 241 HA GLU 534 HA GLU 534 -6.437 5.371 2.106 242 HB2 GLU 534 HB2 GLU 534 -8.457 6.390 4.107 243 HB3 GLU 534 HB3 GLU 534 -6.898 5.679 4.476 244 HG2 GLU 534 HG2 GLU 534 -5.797 7.563 3.242 245 HG3 GLU 534 HG3 GLU 534 -7.401 8.282 3.052 246 H ASN 535 HN ASN 535 -9.861 5.090 2.053 247 HA ASN 535 HA ASN 535 -10.111 2.665 3.461 248 HB2 ASN 535 HB2 ASN 535 -11.913 4.407 2.862 249 HB3 ASN 535 HB3 ASN 535 -12.017 3.568 1.318 250 HD21 ASN 535 HD21 ASN 535 -12.831 1.471 1.260 251 HD22 ASN 535 HD22 ASN 535 -13.735 0.794 2.580 252 H ASP 536 HN ASP 536 -9.847 3.337 -0.068 253 HA ASP 536 HA ASP 536 -10.386 0.615 -0.790 254 HB2 ASP 536 HB2 ASP 536 -9.285 2.952 -2.353 255 HB3 ASP 536 HB3 ASP 536 -9.473 1.353 -3.062 256 H VAL 537 HN VAL 537 -7.511 2.555 -0.532 257 HA VAL 537 HA VAL 537 -5.624 0.704 -1.506 258 HB VAL 537 HB VAL 537 -5.166 2.849 0.589 259 HG11 VAL 537 HG11 VAL 537 -3.311 1.248 0.450 260 HG12 VAL 537 HG12 VAL 537 -2.848 2.836 -0.174 261 HG13 VAL 537 HG13 VAL 537 -3.214 1.520 -1.292 262 HG21 VAL 537 HG21 VAL 537 -4.451 4.208 -1.362 263 HG22 VAL 537 HG22 VAL 537 -6.167 3.805 -1.370 264 HG23 VAL 537 HG23 VAL 537 -5.051 2.934 -2.421 265 H ILE 538 HN ILE 538 -6.680 1.377 1.801 266 HA ILE 538 HA ILE 538 -5.245 -0.762 2.967 267 HB ILE 538 HB ILE 538 -7.621 0.788 3.976 268 HG12 ILE 538 HG12 ILE 538 -4.674 0.857 4.634 269 HG13 ILE 538 HG13 ILE 538 -5.579 2.091 3.762 270 HG21 ILE 538 HG21 ILE 538 -7.063 -0.211 6.172 271 HG22 ILE 538 HG22 ILE 538 -5.927 -1.289 5.357 272 HG23 ILE 538 HG23 ILE 538 -7.652 -1.394 5.005 273 HD11 ILE 538 HD11 ILE 538 -5.133 2.665 6.117 274 HD12 ILE 538 HD12 ILE 538 -6.115 1.280 6.607 275 HD13 ILE 538 HD13 ILE 538 -6.852 2.616 5.721 276 H ASN 539 HN ASN 539 -8.485 -0.536 1.534 277 HA ASN 539 HA ASN 539 -9.478 -3.004 2.350 278 HB2 ASN 539 HB2 ASN 539 -9.898 -1.642 -0.315 279 HB3 ASN 539 HB3 ASN 539 -10.755 -3.085 0.197 280 HD21 ASN 539 HD21 ASN 539 -10.906 -2.009 2.995 281 HD22 ASN 539 HD22 ASN 539 -12.171 -0.848 2.932 282 H LEU 540 HN LEU 540 -7.037 -2.261 -0.044 283 HA LEU 540 HA LEU 540 -6.929 -4.930 -1.074 284 HB2 LEU 540 HB2 LEU 540 -4.864 -2.732 -1.053 285 HB3 LEU 540 HB1 LEU 540 -4.751 -4.210 -1.989 286 HG LEU 540 HG LEU 540 -6.782 -2.008 -2.352 287 HD11 LEU 540 HD11 LEU 540 -4.499 -2.938 -4.086 288 HD12 LEU 540 HD12 LEU 540 -4.545 -1.451 -3.136 289 HD13 LEU 540 HD13 LEU 540 -5.659 -1.671 -4.483 290 HD21 LEU 540 HD21 LEU 540 -7.523 -3.282 -4.313 291 HD22 LEU 540 HD22 LEU 540 -7.799 -4.165 -2.813 292 HD23 LEU 540 HD23 LEU 540 -6.445 -4.603 -3.857 293 H GLY 541 HN GLY 541 -5.124 -3.068 1.346 294 HA2 GLY 541 HA2 GLY 541 -3.251 -5.016 2.028 295 HA3 GLY 541 HA3 GLY 541 -3.753 -3.680 3.052 296 H LEU 542 HN LEU 542 -6.353 -4.372 3.673 297 HA LEU 542 HA LEU 542 -5.678 -5.911 5.918 298 HB2 LEU 542 HB2 LEU 542 -8.266 -4.839 4.912 299 HB3 LEU 542 HB1 LEU 542 -8.196 -5.828 6.359 300 HG LEU 542 HG LEU 542 -6.623 -3.284 5.983 301 HD11 LEU 542 HD11 LEU 542 -9.208 -3.747 7.457 302 HD12 LEU 542 HD12 LEU 542 -9.008 -2.812 5.979 303 HD13 LEU 542 HD13 LEU 542 -8.262 -2.260 7.478 304 HD21 LEU 542 HD21 LEU 542 -7.174 -5.007 8.397 305 HD22 LEU 542 HD22 LEU 542 -6.332 -3.458 8.418 306 HD23 LEU 542 HD23 LEU 542 -5.631 -4.831 7.566 307 HA PRO 543 HA PRO 543 -8.510 -9.438 4.176 308 HB2 PRO 543 HB2 PRO 543 -7.841 -9.229 1.286 309 HB3 PRO 543 HB1 PRO 543 -9.378 -9.640 2.062 310 HG2 PRO 543 HG2 PRO 543 -9.088 -7.253 0.980 311 HG3 PRO 543 HG3 PRO 543 -9.853 -7.400 2.577 312 HD2 PRO 543 HD2 PRO 543 -7.007 -6.667 1.920 313 HD3 PRO 543 HD3 PRO 543 -8.146 -5.845 3.010 314 H PHE 544 HN PHE 544 -5.352 -8.592 2.792 315 HA PHE 544 HA PHE 544 -4.607 -11.426 2.889 316 HB2 PHE 544 HB2 PHE 544 -3.156 -9.044 1.733 317 HB3 PHE 544 HB3 PHE 544 -2.531 -10.686 1.728 318 HD1 PHE 544 HD1 PHE 544 -3.967 -12.462 0.524 319 HD2 PHE 544 HD2 PHE 544 -4.426 -8.264 -0.015 320 HE1 PHE 544 HE1 PHE 544 -5.073 -12.864 -1.639 321 HE2 PHE 544 HE2 PHE 544 -5.541 -8.661 -2.172 322 HZ PHE 544 HZ PHE 544 -5.858 -10.962 -2.989 323 H GLY 545 HN GLY 545 -4.341 -8.586 4.760 324 HA2 GLY 545 HA2 GLY 545 -2.672 -9.846 6.697 325 HA3 GLY 545 HA3 GLY 545 -1.766 -8.663 5.766 326 H LYS 546 HN LYS 546 -1.707 -7.937 8.196 327 HA LYS 546 HA LYS 546 -4.125 -6.424 8.880 328 HB2 LYS 546 HB2 LYS 546 -3.145 -7.870 10.636 329 HB3 LYS 546 HB3 LYS 546 -1.651 -6.951 10.541 330 HG2 LYS 546 HG2 LYS 546 -2.934 -4.922 11.210 331 HG3 LYS 546 HG3 LYS 546 -4.339 -5.957 11.459 332 HD2 LYS 546 HD2 LYS 546 -1.686 -6.204 12.881 333 HD3 LYS 546 HD3 LYS 546 -3.158 -5.510 13.561 334 HE2 LYS 546 HE2 LYS 546 -2.840 -8.360 12.626 335 HE3 LYS 546 HE3 LYS 546 -2.773 -7.825 14.301 336 HZ1 LYS 546 HZ1 LYS 546 -5.121 -7.592 12.500 337 HZ2 LYS 546 HZ2 LYS 546 -5.062 -7.050 14.098 338 HZ3 LYS 546 HZ3 LYS 546 -4.947 -8.702 13.762 339 H VAL 547 HN VAL 547 -4.198 -4.327 8.338 340 HA VAL 547 HA VAL 547 -1.771 -2.942 7.588 341 HB VAL 547 HB VAL 547 -4.674 -2.111 7.537 342 HG11 VAL 547 HG11 VAL 547 -4.034 -0.154 6.308 343 HG12 VAL 547 HG12 VAL 547 -2.338 -0.646 6.316 344 HG13 VAL 547 HG13 VAL 547 -3.128 -0.176 7.822 345 HG21 VAL 547 HG21 VAL 547 -4.334 -2.277 5.072 346 HG22 VAL 547 HG22 VAL 547 -4.250 -3.809 5.935 347 HG23 VAL 547 HG23 VAL 547 -2.769 -3.020 5.399 348 H THR 548 HN THR 548 -0.581 -2.062 9.150 349 HA THR 548 HA THR 548 -1.920 -0.888 11.456 350 HB THR 548 HB THR 548 0.449 -0.699 12.337 351 HG1 THR 548 HG1 THR 548 1.862 -0.935 10.735 352 HG21 THR 548 HG21 THR 548 -1.066 -2.510 12.997 353 HG22 THR 548 HG22 THR 548 0.597 -3.080 12.878 354 HG23 THR 548 HG23 THR 548 -0.554 -3.449 11.594 355 H ASN 549 HN ASN 549 0.128 0.002 8.763 356 HA ASN 549 HA ASN 549 -0.447 2.829 9.288 357 HB2 ASN 549 HB2 ASN 549 2.314 1.658 8.887 358 HB3 ASN 549 HB3 ASN 549 1.966 3.336 8.514 359 HD21 ASN 549 HD21 ASN 549 3.489 3.989 10.039 360 HD22 ASN 549 HD22 ASN 549 3.163 3.935 11.734 361 H TYR 550 HN TYR 550 -0.311 4.159 7.453 362 HA TYR 550 HA TYR 550 0.162 3.064 4.843 363 HB2 TYR 550 HB2 TYR 550 -2.186 3.411 4.055 364 HB3 TYR 550 HB3 TYR 550 -2.035 2.099 5.219 365 HD1 TYR 550 HD1 TYR 550 -3.865 4.983 4.364 366 HD2 TYR 550 HD2 TYR 550 -2.463 2.782 7.724 367 HE1 TYR 550 HE1 TYR 550 -5.557 6.054 5.790 368 HE2 TYR 550 HE2 TYR 550 -4.170 3.834 9.137 369 HH TYR 550 HH TYR 550 -5.676 5.518 9.251 370 H ILE 551 HN ILE 551 0.048 4.710 3.188 371 HA ILE 551 HA ILE 551 -0.231 7.469 4.115 372 HB ILE 551 HB ILE 551 2.267 6.441 2.758 373 HG12 ILE 551 HG12 ILE 551 1.990 7.464 5.592 374 HG13 ILE 551 HG13 ILE 551 2.087 5.760 5.164 375 HG21 ILE 551 HG21 ILE 551 1.590 9.180 3.803 376 HG22 ILE 551 HG22 ILE 551 1.713 8.704 2.109 377 HG23 ILE 551 HG23 ILE 551 3.149 8.695 3.135 378 HD11 ILE 551 HD11 ILE 551 4.217 7.825 4.667 379 HD12 ILE 551 HD12 ILE 551 4.312 6.115 4.245 380 HD13 ILE 551 HD13 ILE 551 4.222 6.602 5.938 381 H LEU 552 HN LEU 552 -1.180 8.652 2.465 382 HA LEU 552 HA LEU 552 -1.335 7.264 -0.117 383 HB2 LEU 552 HB2 LEU 552 -3.265 9.128 1.233 384 HB3 LEU 552 HB1 LEU 552 -3.379 8.702 -0.465 385 HG LEU 552 HG LEU 552 -3.745 6.938 1.932 386 HD11 LEU 552 HD11 LEU 552 -5.914 6.568 0.803 387 HD12 LEU 552 HD12 LEU 552 -5.447 7.765 -0.401 388 HD13 LEU 552 HD13 LEU 552 -5.643 8.240 1.286 389 HD21 LEU 552 HD21 LEU 552 -4.047 5.076 0.372 390 HD22 LEU 552 HD22 LEU 552 -2.396 5.693 0.323 391 HD23 LEU 552 HD23 LEU 552 -3.531 6.107 -0.963 392 H MET 553 HN MET 553 -0.280 8.208 -1.772 393 HA MET 553 HA MET 553 0.359 11.072 -1.442 394 HB2 MET 553 HB2 MET 553 1.864 8.971 -3.013 395 HB3 MET 553 HB3 MET 553 2.269 10.680 -2.975 396 HG2 MET 553 HG2 MET 553 2.767 10.539 -0.610 397 HG3 MET 553 HG3 MET 553 2.278 8.846 -0.588 398 HE1 MET 553 HE1 MET 553 3.430 7.667 -3.220 399 HE2 MET 553 HE2 MET 553 3.664 6.879 -1.662 400 HE3 MET 553 HE3 MET 553 5.038 7.136 -2.737 401 H LYS 554 HN LYS 554 -1.827 11.287 -2.292 402 HA LYS 554 HA LYS 554 -2.701 10.907 -4.777 403 HB2 LYS 554 HB2 LYS 554 -2.921 13.391 -3.083 404 HB3 LYS 554 HB3 LYS 554 -3.866 13.124 -4.541 405 HG2 LYS 554 HG2 LYS 554 -5.223 12.555 -2.663 406 HG3 LYS 554 HG3 LYS 554 -4.783 11.076 -3.502 407 HD2 LYS 554 HD2 LYS 554 -3.288 10.409 -1.829 408 HD3 LYS 554 HD3 LYS 554 -3.232 12.031 -1.121 409 HE2 LYS 554 HE2 LYS 554 -5.686 10.282 -1.166 410 HE3 LYS 554 HE3 LYS 554 -4.550 10.350 0.181 411 HZ1 LYS 554 HZ1 LYS 554 -6.425 11.787 0.581 412 HZ2 LYS 554 HZ2 LYS 554 -6.154 12.618 -0.866 413 HZ3 LYS 554 HZ3 LYS 554 -5.028 12.724 0.389 414 H SER 555 HN SER 555 0.043 12.900 -3.976 415 HA SER 555 HA SER 555 -0.188 14.674 -6.190 416 HB2 SER 555 HB2 SER 555 2.134 15.308 -5.514 417 HB3 SER 555 HB3 SER 555 0.975 15.373 -4.185 418 HG SER 555 HG SER 555 3.196 14.160 -4.064 419 H THR 556 HN THR 556 1.720 11.757 -5.476 420 HA THR 556 HA THR 556 2.773 11.782 -8.197 421 HB THR 556 HB THR 556 4.231 9.920 -7.362 422 HG1 THR 556 HG1 THR 556 4.220 10.000 -4.878 423 HG21 THR 556 HG21 THR 556 5.039 12.224 -7.373 424 HG22 THR 556 HG22 THR 556 5.649 11.359 -5.962 425 HG23 THR 556 HG23 THR 556 4.314 12.499 -5.789 426 H ASN 557 HN ASN 557 0.036 10.682 -6.901 427 HA ASN 557 HA ASN 557 -1.470 9.034 -7.330 428 HB2 ASN 557 HB2 ASN 557 0.249 8.665 -9.799 429 HB3 ASN 557 HB3 ASN 557 -1.298 7.865 -9.547 430 HD21 ASN 557 HD21 ASN 557 0.301 10.875 -10.198 431 HD22 ASN 557 HD22 ASN 557 -1.110 11.756 -10.665 432 H GLN 558 HN GLN 558 0.513 8.471 -5.562 433 HA GLN 558 HA GLN 558 0.909 5.579 -5.854 434 HB2 GLN 558 HB2 GLN 558 3.083 7.551 -5.115 435 HB3 GLN 558 HB3 GLN 558 3.240 5.799 -5.046 436 HG2 GLN 558 HG2 GLN 558 3.027 5.629 -7.422 437 HG3 GLN 558 HG3 GLN 558 2.635 7.343 -7.553 438 HE21 GLN 558 HE21 GLN 558 4.337 7.730 -8.949 439 HE22 GLN 558 HE22 GLN 558 5.983 7.746 -8.416 440 H ALA 559 HN ALA 559 1.637 4.619 -3.654 441 HA ALA 559 HA ALA 559 1.052 6.244 -1.353 442 HB1 ALA 559 HB1 ALA 559 -0.829 4.871 -0.575 443 HB2 ALA 559 HB2 ALA 559 -0.828 4.027 -2.131 444 HB3 ALA 559 HB3 ALA 559 -1.194 5.756 -2.061 445 H PHE 560 HN PHE 560 1.190 4.976 0.661 446 HA PHE 560 HA PHE 560 2.989 2.639 0.378 447 HB2 PHE 560 HB2 PHE 560 2.979 4.756 2.532 448 HB3 PHE 560 HB3 PHE 560 3.905 3.270 2.629 449 HD1 PHE 560 HD1 PHE 560 5.561 2.831 0.691 450 HD2 PHE 560 HD2 PHE 560 3.942 6.649 1.629 451 HE1 PHE 560 HE1 PHE 560 7.454 3.909 -0.450 452 HE2 PHE 560 HE2 PHE 560 5.827 7.735 0.485 453 HZ PHE 560 HZ PHE 560 7.588 6.364 -0.554 454 H LEU 561 HN LEU 561 2.738 0.908 1.772 455 HA LEU 561 HA LEU 561 0.397 0.925 3.538 456 HB2 LEU 561 HB2 LEU 561 -0.303 0.042 1.356 457 HB3 LEU 561 HB1 LEU 561 0.991 -1.136 1.410 458 HG LEU 561 HG LEU 561 -0.077 -2.244 3.318 459 HD11 LEU 561 HD11 LEU 561 -1.156 -0.350 4.361 460 HD12 LEU 561 HD12 LEU 561 -2.366 -1.573 3.970 461 HD13 LEU 561 HD13 LEU 561 -2.207 -0.137 2.960 462 HD21 LEU 561 HD21 LEU 561 -0.626 -2.873 0.969 463 HD22 LEU 561 HD22 LEU 561 -2.033 -1.811 1.060 464 HD23 LEU 561 HD23 LEU 561 -1.920 -3.216 2.119 465 H GLU 562 HN GLU 562 1.084 0.324 5.470 466 HA GLU 562 HA GLU 562 3.341 -1.542 5.692 467 HB2 GLU 562 HB2 GLU 562 3.474 0.522 7.031 468 HB3 GLU 562 HB3 GLU 562 1.982 0.080 7.850 469 HG2 GLU 562 HG2 GLU 562 3.058 -1.906 8.766 470 HG3 GLU 562 HG3 GLU 562 4.553 -1.484 7.935 471 H MET 563 HN MET 563 3.031 -3.575 6.090 472 HA MET 563 HA MET 563 0.415 -4.474 7.096 473 HB2 MET 563 HB2 MET 563 2.442 -6.078 5.530 474 HB3 MET 563 HB3 MET 563 0.773 -6.513 5.876 475 HG2 MET 563 HG2 MET 563 -0.075 -5.071 4.300 476 HG3 MET 563 HG3 MET 563 1.349 -4.031 4.334 477 HE1 MET 563 HE1 MET 563 0.019 -4.780 1.616 478 HE2 MET 563 HE2 MET 563 1.398 -5.273 0.636 479 HE3 MET 563 HE3 MET 563 1.526 -3.867 1.693 480 H ALA 564 HN ALA 564 0.464 -6.223 8.682 481 HA ALA 564 HA ALA 564 2.240 -5.532 10.731 482 HB1 ALA 564 HB1 ALA 564 0.484 -7.964 10.481 483 HB2 ALA 564 HB2 ALA 564 0.070 -6.425 11.239 484 HB3 ALA 564 HB3 ALA 564 1.303 -7.460 11.956 485 H TYR 565 HN TYR 565 2.221 -8.350 8.596 486 HA TYR 565 HA TYR 565 4.945 -8.948 9.535 487 HB2 TYR 565 HB2 TYR 565 2.784 -10.878 8.688 488 HB3 TYR 565 HB3 TYR 565 4.451 -11.332 9.018 489 HD1 TYR 565 HD1 TYR 565 1.218 -10.873 10.399 490 HD2 TYR 565 HD2 TYR 565 5.355 -10.780 11.377 491 HE1 TYR 565 HE1 TYR 565 0.656 -11.157 12.775 492 HE2 TYR 565 HE2 TYR 565 4.804 -11.066 13.755 493 HH TYR 565 HH TYR 565 2.818 -10.609 15.262 494 H THR 566 HN THR 566 6.351 -9.878 8.024 495 HA THR 566 HA THR 566 6.325 -8.617 5.492 496 HB THR 566 HB THR 566 8.428 -9.161 6.634 497 HG1 THR 566 HG1 THR 566 8.797 -10.711 4.399 498 HG21 THR 566 HG21 THR 566 9.302 -11.456 6.619 499 HG22 THR 566 HG22 THR 566 7.760 -12.033 5.987 500 HG23 THR 566 HG23 THR 566 7.841 -11.320 7.598 501 H GLU 567 HN GLU 567 5.274 -11.710 6.613 502 HA GLU 567 HA GLU 567 5.069 -13.165 4.255 503 HB2 GLU 567 HB2 GLU 567 3.339 -14.450 5.420 504 HB3 GLU 567 HB3 GLU 567 4.714 -14.131 6.464 505 HG2 GLU 567 HG2 GLU 567 3.368 -12.157 7.359 506 HG3 GLU 567 HG3 GLU 567 1.992 -12.885 6.532 507 H ALA 568 HN ALA 568 3.117 -10.546 5.461 508 HA ALA 568 HA ALA 568 0.854 -11.061 3.785 509 HB1 ALA 568 HB1 ALA 568 0.061 -8.878 4.511 510 HB2 ALA 568 HB2 ALA 568 1.639 -8.525 5.215 511 HB3 ALA 568 HB3 ALA 568 0.644 -9.816 5.885 512 H ALA 569 HN ALA 569 3.674 -8.930 3.636 513 HA ALA 569 HA ALA 569 2.861 -7.444 1.393 514 HB1 ALA 569 HB1 ALA 569 5.648 -8.013 2.388 515 HB2 ALA 569 HB2 ALA 569 4.609 -6.685 2.905 516 HB3 ALA 569 HB3 ALA 569 5.199 -6.746 1.245 517 H GLN 570 HN GLN 570 4.857 -10.362 1.687 518 HA GLN 570 HA GLN 570 5.556 -10.491 -1.045 519 HB2 GLN 570 HB2 GLN 570 6.185 -12.840 -0.577 520 HB3 GLN 570 HB3 GLN 570 6.843 -11.719 0.607 521 HG2 GLN 570 HG2 GLN 570 5.090 -12.336 2.179 522 HG3 GLN 570 HG3 GLN 570 4.405 -13.442 0.991 523 HE21 GLN 570 HE21 GLN 570 4.659 -15.209 2.344 524 HE22 GLN 570 HE22 GLN 570 6.205 -15.905 2.673 525 H ALA 571 HN ALA 571 2.880 -11.835 0.810 526 HA ALA 571 HA ALA 571 1.845 -13.497 -1.221 527 HB1 ALA 571 HB1 ALA 571 1.272 -13.769 1.142 528 HB2 ALA 571 HB2 ALA 571 -0.172 -13.593 0.145 529 HB3 ALA 571 HB3 ALA 571 0.406 -12.234 1.110 530 H MET 572 HN MET 572 1.110 -10.158 -0.258 531 HA MET 572 HA MET 572 -1.022 -9.812 -2.082 532 HB2 MET 572 HB2 MET 572 0.776 -7.650 -0.978 533 HB3 MET 572 HB3 MET 572 -0.833 -7.437 -1.655 534 HG2 MET 572 HG2 MET 572 -1.609 -9.002 0.215 535 HG3 MET 572 HG3 MET 572 -0.036 -8.678 0.942 536 HE1 MET 572 HE1 MET 572 -0.445 -7.374 3.056 537 HE2 MET 572 HE2 MET 572 -2.056 -8.064 2.878 538 HE3 MET 572 HE3 MET 572 -1.868 -6.360 3.288 539 H VAL 573 HN VAL 573 2.435 -8.960 -2.293 540 HA VAL 573 HA VAL 573 2.311 -7.702 -4.788 541 HB VAL 573 HB VAL 573 4.607 -9.247 -3.565 542 HG11 VAL 573 HG11 VAL 573 4.903 -9.057 -5.982 543 HG12 VAL 573 HG12 VAL 573 6.049 -8.024 -5.127 544 HG13 VAL 573 HG13 VAL 573 4.623 -7.319 -5.888 545 HG21 VAL 573 HG21 VAL 573 3.885 -7.347 -2.223 546 HG22 VAL 573 HG22 VAL 573 3.995 -6.292 -3.632 547 HG23 VAL 573 HG23 VAL 573 5.453 -7.024 -2.962 548 H GLN 574 HN GLN 574 2.949 -11.114 -3.985 549 HA GLN 574 HA GLN 574 3.269 -12.025 -6.624 550 HB2 GLN 574 HB2 GLN 574 2.268 -13.477 -4.171 551 HB3 GLN 574 HB3 GLN 574 2.665 -14.267 -5.690 552 HG2 GLN 574 HG2 GLN 574 4.967 -13.592 -5.493 553 HG3 GLN 574 HG3 GLN 574 4.601 -12.657 -4.044 554 HE21 GLN 574 HE21 GLN 574 6.469 -14.862 -4.405 555 HE22 GLN 574 HE22 GLN 574 5.999 -16.077 -3.282 556 H TYR 575 HN TYR 575 0.405 -11.520 -4.664 557 HA TYR 575 HA TYR 575 -1.406 -12.843 -6.418 558 HB2 TYR 575 HB2 TYR 575 -2.037 -12.407 -4.098 559 HB3 TYR 575 HB3 TYR 575 -1.930 -10.672 -4.369 560 HD1 TYR 575 HD1 TYR 575 -3.722 -9.477 -5.388 561 HD2 TYR 575 HD2 TYR 575 -3.863 -13.720 -5.149 562 HE1 TYR 575 HE1 TYR 575 -6.093 -9.428 -6.036 563 HE2 TYR 575 HE2 TYR 575 -6.234 -13.683 -5.793 564 HH TYR 575 HH TYR 575 -7.751 -10.931 -7.057 565 H TYR 576 HN TYR 576 -0.645 -9.412 -5.905 566 HA TYR 576 HA TYR 576 -2.237 -8.548 -8.080 567 HB2 TYR 576 HB2 TYR 576 -0.115 -7.105 -6.496 568 HB3 TYR 576 HB3 TYR 576 -1.154 -6.333 -7.695 569 HD1 TYR 576 HD1 TYR 576 -3.756 -6.850 -7.331 570 HD2 TYR 576 HD2 TYR 576 -0.799 -6.993 -4.280 571 HE1 TYR 576 HE1 TYR 576 -5.506 -6.560 -5.629 572 HE2 TYR 576 HE2 TYR 576 -2.543 -6.701 -2.571 573 HH TYR 576 HH TYR 576 -5.845 -7.035 -3.233 574 H GLN 577 HN GLN 577 0.934 -9.843 -8.017 575 HA GLN 577 HA GLN 577 1.842 -8.750 -10.478 576 HB2 GLN 577 HB2 GLN 577 2.466 -11.338 -9.059 577 HB3 GLN 577 HB3 GLN 577 3.189 -10.922 -10.603 578 HG2 GLN 577 HG2 GLN 577 3.437 -9.310 -8.076 579 HG3 GLN 577 HG3 GLN 577 4.653 -10.418 -8.710 580 HE21 GLN 577 HE21 GLN 577 3.111 -7.339 -9.080 581 HE22 GLN 577 HE22 GLN 577 4.216 -6.695 -10.242 582 H GLU 578 HN GLU 578 -0.032 -11.626 -9.647 583 HA GLU 578 HA GLU 578 -0.480 -12.274 -12.431 584 HB2 GLU 578 HB2 GLU 578 -1.424 -13.484 -9.840 585 HB3 GLU 578 HB3 GLU 578 -1.998 -14.051 -11.403 586 HG2 GLU 578 HG2 GLU 578 0.896 -13.967 -10.588 587 HG3 GLU 578 HG3 GLU 578 -0.140 -15.387 -10.450 588 H LYS 579 HN LYS 579 -2.376 -10.954 -9.723 589 HA LYS 579 HA LYS 579 -4.257 -9.897 -11.712 590 HB2 LYS 579 HB2 LYS 579 -4.921 -11.218 -9.080 591 HB3 LYS 579 HB3 LYS 579 -6.046 -10.176 -9.937 592 HG2 LYS 579 HG2 LYS 579 -5.730 -11.767 -11.911 593 HG3 LYS 579 HG3 LYS 579 -4.999 -12.864 -10.737 594 HD2 LYS 579 HD2 LYS 579 -7.327 -13.415 -10.940 595 HD3 LYS 579 HD3 LYS 579 -7.067 -12.668 -9.362 596 HE2 LYS 579 HE2 LYS 579 -9.106 -11.829 -10.445 597 HE3 LYS 579 HE3 LYS 579 -7.922 -10.547 -10.200 598 HZ1 LYS 579 HZ1 LYS 579 -8.368 -11.996 -12.755 599 HZ2 LYS 579 HZ2 LYS 579 -7.295 -10.708 -12.514 600 HZ3 LYS 579 HZ3 LYS 579 -8.960 -10.455 -12.392 601 HA PRO 580 HA PRO 580 -2.826 -6.351 -9.180 602 HB2 PRO 580 HB2 PRO 580 -3.273 -4.531 -11.149 603 HB3 PRO 580 HB1 PRO 580 -1.771 -5.453 -11.010 604 HG2 PRO 580 HG2 PRO 580 -4.132 -5.947 -12.780 605 HG3 PRO 580 HG3 PRO 580 -2.404 -6.039 -13.166 606 HD2 PRO 580 HD2 PRO 580 -3.889 -8.235 -12.659 607 HD3 PRO 580 HD3 PRO 580 -2.175 -8.127 -12.210 608 H ALA 581 HN ALA 581 -4.080 -4.434 -8.511 609 HA ALA 581 HA ALA 581 -6.894 -5.174 -8.359 610 HB1 ALA 581 HB1 ALA 581 -5.356 -3.025 -6.901 611 HB2 ALA 581 HB2 ALA 581 -5.714 -4.638 -6.286 612 HB3 ALA 581 HB3 ALA 581 -7.025 -3.495 -6.580 613 H ILE 582 HN ILE 582 -8.547 -3.971 -9.173 614 HA ILE 582 HA ILE 582 -7.707 -1.998 -11.166 615 HB ILE 582 HB ILE 582 -10.355 -3.433 -10.975 616 HG12 ILE 582 HG12 ILE 582 -7.909 -4.167 -12.603 617 HG13 ILE 582 HG13 ILE 582 -8.493 -5.043 -11.192 618 HG21 ILE 582 HG21 ILE 582 -10.561 -2.833 -13.333 619 HG22 ILE 582 HG22 ILE 582 -9.009 -1.999 -13.259 620 HG23 ILE 582 HG23 ILE 582 -10.377 -1.399 -12.322 621 HD11 ILE 582 HD11 ILE 582 -9.117 -6.160 -13.253 622 HD12 ILE 582 HD12 ILE 582 -9.965 -4.711 -13.795 623 HD13 ILE 582 HD13 ILE 582 -10.544 -5.596 -12.383 624 H ILE 583 HN ILE 583 -7.967 0.066 -10.682 625 HA ILE 583 HA ILE 583 -10.447 0.901 -9.321 626 HB ILE 583 HB ILE 583 -7.677 2.074 -8.991 627 HG12 ILE 583 HG12 ILE 583 -8.244 0.132 -7.550 628 HG13 ILE 583 HG13 ILE 583 -7.978 1.610 -6.633 629 HG21 ILE 583 HG21 ILE 583 -8.707 3.814 -7.610 630 HG22 ILE 583 HG22 ILE 583 -10.304 3.191 -8.024 631 HG23 ILE 583 HG23 ILE 583 -9.275 3.881 -9.279 632 HD11 ILE 583 HD11 ILE 583 -10.637 0.376 -7.309 633 HD12 ILE 583 HD12 ILE 583 -10.415 1.912 -6.473 634 HD13 ILE 583 HD13 ILE 583 -9.853 0.414 -5.728 635 H ASN 584 HN ASN 584 -11.681 1.914 -10.749 636 HA ASN 584 HA ASN 584 -12.404 3.122 -12.524 637 HB2 ASN 584 HB2 ASN 584 -9.770 4.585 -12.237 638 HB3 ASN 584 HB3 ASN 584 -11.123 5.114 -13.227 639 HD21 ASN 584 HD21 ASN 584 -9.806 6.468 -11.083 640 HD22 ASN 584 HD22 ASN 584 -11.003 6.797 -9.879 641 H GLY 585 HN GLY 585 -10.934 0.690 -12.907 642 HA2 GLY 585 HA2 GLY 585 -10.373 -0.556 -14.760 643 HA3 GLY 585 HA3 GLY 585 -10.501 0.895 -15.740 644 H GLU 586 HN GLU 586 -8.493 1.454 -13.112 645 HA GLU 586 HA GLU 586 -6.131 1.034 -14.802 646 HB2 GLU 586 HB2 GLU 586 -6.566 2.892 -12.456 647 HB3 GLU 586 HB3 GLU 586 -5.039 2.705 -13.307 648 HG2 GLU 586 HG2 GLU 586 -6.045 3.515 -15.356 649 HG3 GLU 586 HG3 GLU 586 -7.611 3.636 -14.561 650 H LYS 587 HN LYS 587 -4.692 -0.447 -14.268 651 HA LYS 587 HA LYS 587 -5.104 -2.135 -12.005 652 HB2 LYS 587 HB2 LYS 587 -2.707 -2.092 -13.838 653 HB3 LYS 587 HB3 LYS 587 -3.241 -3.425 -12.827 654 HG2 LYS 587 HG2 LYS 587 -4.629 -2.331 -15.258 655 HG3 LYS 587 HG3 LYS 587 -3.807 -3.881 -15.110 656 HD2 LYS 587 HD2 LYS 587 -5.472 -4.525 -13.375 657 HD3 LYS 587 HD3 LYS 587 -6.328 -3.018 -13.700 658 HE2 LYS 587 HE2 LYS 587 -5.812 -5.248 -15.663 659 HE3 LYS 587 HE3 LYS 587 -7.356 -4.853 -14.912 660 HZ1 LYS 587 HZ1 LYS 587 -7.190 -3.993 -17.169 661 HZ2 LYS 587 HZ2 LYS 587 -5.836 -3.075 -16.745 662 HZ3 LYS 587 HZ3 LYS 587 -7.340 -2.731 -16.053 663 H LEU 588 HN LEU 588 -4.292 -1.991 -10.032 664 HA LEU 588 HA LEU 588 -2.309 0.026 -9.400 665 HB2 LEU 588 HB2 LEU 588 -3.674 -1.924 -7.550 666 HB3 LEU 588 HB1 LEU 588 -2.843 -0.446 -7.103 667 HG LEU 588 HG LEU 588 -5.450 -0.648 -8.608 668 HD11 LEU 588 HD11 LEU 588 -4.749 0.220 -5.817 669 HD12 LEU 588 HD12 LEU 588 -5.779 -1.124 -6.308 670 HD13 LEU 588 HD13 LEU 588 -6.304 0.534 -6.584 671 HD21 LEU 588 HD21 LEU 588 -3.843 1.766 -7.800 672 HD22 LEU 588 HD22 LEU 588 -5.504 1.808 -8.390 673 HD23 LEU 588 HD23 LEU 588 -4.210 1.237 -9.442 674 H LEU 589 HN LEU 589 -0.270 -0.367 -8.668 675 HA LEU 589 HA LEU 589 0.634 -3.171 -8.799 676 HB2 LEU 589 HB2 LEU 589 1.520 -1.781 -10.622 677 HB3 LEU 589 HB1 LEU 589 2.214 -0.681 -9.445 678 HG LEU 589 HG LEU 589 3.686 -2.495 -8.642 679 HD11 LEU 589 HD11 LEU 589 3.870 -4.547 -9.999 680 HD12 LEU 589 HD12 LEU 589 2.428 -4.056 -10.889 681 HD13 LEU 589 HD13 LEU 589 2.322 -4.414 -9.166 682 HD21 LEU 589 HD21 LEU 589 5.140 -2.578 -10.606 683 HD22 LEU 589 HD22 LEU 589 4.484 -0.960 -10.356 684 HD23 LEU 589 HD23 LEU 589 3.812 -2.000 -11.612 685 H ILE 590 HN ILE 590 1.033 -3.942 -6.820 686 HA ILE 590 HA ILE 590 2.150 -2.144 -4.786 687 HB ILE 590 HB ILE 590 1.006 -4.926 -4.441 688 HG12 ILE 590 HG12 ILE 590 -0.163 -2.185 -3.927 689 HG13 ILE 590 HG13 ILE 590 -0.760 -3.403 -5.044 690 HG21 ILE 590 HG21 ILE 590 1.892 -2.889 -2.397 691 HG22 ILE 590 HG22 ILE 590 2.675 -4.429 -2.755 692 HG23 ILE 590 HG23 ILE 590 1.065 -4.405 -2.034 693 HD11 ILE 590 HD11 ILE 590 -1.277 -4.851 -3.101 694 HD12 ILE 590 HD12 ILE 590 -2.184 -3.341 -3.133 695 HD13 ILE 590 HD13 ILE 590 -0.811 -3.521 -2.033 696 H ARG 591 HN ARG 591 4.199 -2.345 -4.097 697 HA ARG 591 HA ARG 591 5.730 -4.769 -4.659 698 HB2 ARG 591 HB2 ARG 591 6.482 -2.028 -5.689 699 HB3 ARG 591 HB3 ARG 591 7.610 -3.370 -5.589 700 HG2 ARG 591 HG2 ARG 591 6.142 -4.649 -7.120 701 HG3 ARG 591 HG3 ARG 591 5.135 -3.208 -7.288 702 HD2 ARG 591 HD2 ARG 591 6.729 -3.399 -9.133 703 HD3 ARG 591 HD3 ARG 591 7.040 -1.963 -8.159 704 HE ARG 591 HE ARG 591 8.662 -3.898 -7.094 705 HH11 ARG 591 HH11 ARG 591 8.254 -2.473 -10.257 706 HH12 ARG 591 HH12 ARG 591 9.905 -2.724 -10.728 707 HH21 ARG 591 HH21 ARG 591 10.830 -4.242 -7.705 708 HH22 ARG 591 HH22 ARG 591 11.371 -3.748 -9.278 709 H MET 592 HN MET 592 7.860 -4.719 -3.565 710 HA MET 592 HA MET 592 7.712 -3.335 -1.017 711 HB2 MET 592 HB2 MET 592 9.775 -5.235 -2.152 712 HB3 MET 592 HB3 MET 592 9.870 -4.523 -0.546 713 HG2 MET 592 HG2 MET 592 7.666 -5.574 -0.038 714 HG3 MET 592 HG3 MET 592 7.777 -6.413 -1.584 715 HE1 MET 592 HE1 MET 592 7.477 -8.735 -0.315 716 HE2 MET 592 HE2 MET 592 7.367 -7.859 1.212 717 HE3 MET 592 HE3 MET 592 8.470 -9.227 1.058 718 H SER 593 HN SER 593 9.189 -1.745 -0.309 719 HA SER 593 HA SER 593 10.130 -0.120 -2.516 720 HB2 SER 593 HB2 SER 593 8.880 0.990 -0.767 721 HB3 SER 593 HB3 SER 593 10.031 0.438 0.449 722 HG SER 593 HG SER 593 10.155 2.591 -1.201 723 H THR 594 HN THR 594 12.078 0.167 -3.116 724 HA THR 594 HA THR 594 14.276 -1.217 -1.814 725 HB THR 594 HB THR 594 15.550 -0.380 -3.855 726 HG1 THR 594 HG1 THR 594 14.319 0.494 -5.513 727 HG21 THR 594 HG21 THR 594 14.662 -2.658 -3.716 728 HG22 THR 594 HG22 THR 594 14.527 -2.027 -5.357 729 HG23 THR 594 HG23 THR 594 13.103 -2.092 -4.319 730 H ARG 595 HN ARG 595 12.864 1.820 -1.667 731 HA ARG 595 HA ARG 595 15.413 3.252 -1.435 732 HB2 ARG 595 HB2 ARG 595 12.592 4.282 -1.732 733 HB3 ARG 595 HB3 ARG 595 14.026 5.291 -1.631 734 HG2 ARG 595 HG2 ARG 595 14.868 4.378 -3.691 735 HG3 ARG 595 HG3 ARG 595 13.515 3.251 -3.780 736 HD2 ARG 595 HD2 ARG 595 13.139 5.145 -5.249 737 HD3 ARG 595 HD3 ARG 595 11.964 5.142 -3.937 738 HE ARG 595 HE ARG 595 13.985 6.753 -3.047 739 HH11 ARG 595 HH11 ARG 595 11.950 6.707 -5.896 740 HH12 ARG 595 HH12 ARG 595 11.958 8.429 -6.090 741 HH21 ARG 595 HH21 ARG 595 13.998 9.026 -3.296 742 HH22 ARG 595 HH22 ARG 595 13.122 9.750 -4.606 743 H TYR 596 HN TYR 596 12.606 2.355 0.449 744 HA TYR 596 HA TYR 596 13.770 3.807 2.734 745 HB2 TYR 596 HB2 TYR 596 10.903 3.704 1.849 746 HB3 TYR 596 HB3 TYR 596 11.334 4.078 3.516 747 HD1 TYR 596 HD1 TYR 596 11.598 5.236 0.018 748 HD2 TYR 596 HD2 TYR 596 12.245 6.192 4.111 749 HE1 TYR 596 HE1 TYR 596 11.967 7.587 -0.594 750 HE2 TYR 596 HE2 TYR 596 12.614 8.544 3.508 751 HH TYR 596 HH TYR 596 13.300 9.856 1.542 752 H LYS 597 HN LYS 597 13.404 3.009 4.806 753 HA LYS 597 HA LYS 597 12.906 0.116 4.870 754 HB2 LYS 597 HB2 LYS 597 14.612 1.877 6.622 755 HB3 LYS 597 HB3 LYS 597 14.228 0.203 7.019 756 HG2 LYS 597 HG2 LYS 597 15.349 -0.575 5.043 757 HG3 LYS 597 HG3 LYS 597 15.594 1.078 4.478 758 HD2 LYS 597 HD2 LYS 597 17.026 1.518 6.420 759 HD3 LYS 597 HD3 LYS 597 16.785 -0.143 6.968 760 HE2 LYS 597 HE2 LYS 597 17.832 -0.987 4.954 761 HE3 LYS 597 HE3 LYS 597 18.005 0.651 4.326 762 HZ1 LYS 597 HZ1 LYS 597 20.057 -0.240 5.307 763 HZ2 LYS 597 HZ2 LYS 597 19.289 -0.341 6.811 764 HZ3 LYS 597 HZ3 LYS 597 19.528 1.164 6.085 765 H GLU 598 HN GLU 598 11.698 3.138 6.032 766 HA GLU 598 HA GLU 598 9.878 1.672 7.792 767 HB2 GLU 598 HB2 GLU 598 11.722 2.424 9.221 768 HB3 GLU 598 HB3 GLU 598 11.494 4.074 8.661 769 HG2 GLU 598 HG2 GLU 598 9.194 4.009 9.633 770 HG3 GLU 598 HG3 GLU 598 9.599 2.438 10.328 771 H LEU 599 HN LEU 599 7.951 2.681 8.219 772 HA LEU 599 HA LEU 599 7.313 5.041 6.569 773 HB2 LEU 599 HB2 LEU 599 5.493 2.785 7.422 774 HB3 LEU 599 HB1 LEU 599 5.003 4.183 6.486 775 HG LEU 599 HG LEU 599 6.975 2.086 5.587 776 HD11 LEU 599 HD11 LEU 599 4.110 2.593 4.824 777 HD12 LEU 599 HD12 LEU 599 4.763 1.161 5.625 778 HD13 LEU 599 HD13 LEU 599 5.207 1.520 3.954 779 HD21 LEU 599 HD21 LEU 599 5.772 4.404 4.090 780 HD22 LEU 599 HD22 LEU 599 6.883 3.197 3.444 781 HD23 LEU 599 HD23 LEU 599 7.432 4.321 4.684 782 H GLN 600 HN GLN 600 6.863 6.806 7.695 783 HA GLN 600 HA GLN 600 5.831 6.473 10.431 784 HB2 GLN 600 HB2 GLN 600 6.838 8.660 10.946 785 HB3 GLN 600 HB3 GLN 600 8.042 7.496 10.416 786 HG2 GLN 600 HG2 GLN 600 7.954 8.513 8.156 787 HG3 GLN 600 HG3 GLN 600 6.864 9.741 8.798 788 HE21 GLN 600 HE21 GLN 600 7.663 11.263 10.267 789 HE22 GLN 600 HE22 GLN 600 9.359 11.568 10.423 790 H LEU 601 HN LEU 601 3.989 7.580 11.011 791 HA LEU 601 HA LEU 601 2.427 8.578 8.778 792 HB2 LEU 601 HB2 LEU 601 1.665 8.096 11.656 793 HB3 LEU 601 HB1 LEU 601 0.555 8.604 10.398 794 HG LEU 601 HG LEU 601 2.033 5.973 10.524 795 HD11 LEU 601 HD11 LEU 601 0.155 6.153 12.078 796 HD12 LEU 601 HD12 LEU 601 -0.179 5.007 10.781 797 HD13 LEU 601 HD13 LEU 601 -0.903 6.614 10.747 798 HD21 LEU 601 HD21 LEU 601 0.128 7.029 8.439 799 HD22 LEU 601 HD22 LEU 601 0.730 5.375 8.531 800 HD23 LEU 601 HD23 LEU 601 1.848 6.700 8.220 801 H LYS 602 HN LYS 602 3.321 10.543 8.309 802 HA LYS 602 HA LYS 602 3.587 12.623 10.271 803 HB2 LYS 602 HB2 LYS 602 3.698 12.629 7.252 804 HB3 LYS 602 HB3 LYS 602 3.981 14.058 8.237 805 HG2 LYS 602 HG2 LYS 602 5.936 13.112 9.199 806 HG3 LYS 602 HG3 LYS 602 5.578 11.524 8.517 807 HD2 LYS 602 HD2 LYS 602 7.344 12.659 7.261 808 HD3 LYS 602 HD3 LYS 602 5.911 12.400 6.268 809 HE2 LYS 602 HE2 LYS 602 5.229 14.730 6.704 810 HE3 LYS 602 HE3 LYS 602 6.716 14.973 7.616 811 HZ1 LYS 602 HZ1 LYS 602 7.981 14.495 5.618 812 HZ2 LYS 602 HZ2 LYS 602 6.914 15.780 5.345 813 HZ3 LYS 602 HZ3 LYS 602 6.556 14.239 4.742 814 H LYS 603 HN LYS 603 1.034 11.309 8.516 815 HA LYS 603 HA LYS 603 -0.642 13.659 9.100 816 HB2 LYS 603 HB2 LYS 603 -0.953 11.671 6.835 817 HB3 LYS 603 HB3 LYS 603 -2.091 12.955 7.211 818 HG2 LYS 603 HG2 LYS 603 0.753 13.295 6.283 819 HG3 LYS 603 HG3 LYS 603 -0.710 13.590 5.342 820 HD2 LYS 603 HD2 LYS 603 -1.349 15.343 6.976 821 HD3 LYS 603 HD3 LYS 603 0.192 15.092 7.798 822 HE2 LYS 603 HE2 LYS 603 0.428 16.979 6.353 823 HE3 LYS 603 HE3 LYS 603 1.344 15.642 5.658 824 HZ1 LYS 603 HZ1 LYS 603 -0.540 15.221 4.160 825 HZ2 LYS 603 HZ2 LYS 603 0.096 16.774 3.952 826 HZ3 LYS 603 HZ3 LYS 603 -1.351 16.559 4.805 827 HA PRO 604 HA PRO 604 -2.916 10.846 11.694 828 HB2 PRO 604 HB2 PRO 604 -5.298 12.167 11.759 829 HB3 PRO 604 HB1 PRO 604 -3.886 12.671 12.697 830 HG2 PRO 604 HG2 PRO 604 -4.902 13.735 10.090 831 HG3 PRO 604 HG3 PRO 604 -4.282 14.621 11.497 832 HD2 PRO 604 HD2 PRO 604 -2.775 14.170 9.303 833 HD3 PRO 604 HD3 PRO 604 -2.076 14.221 10.933 834 H GLY 605 HN GLY 605 -4.487 9.234 11.504 835 HA2 GLY 605 HA2 GLY 605 -5.825 9.052 8.893 836 HA3 GLY 605 HA3 GLY 605 -4.871 7.709 9.505 837 H LYS 606 HN LYS 606 -7.213 6.985 8.944 838 HA LYS 606 HA LYS 606 -9.041 7.279 11.208 839 HB2 LYS 606 HB2 LYS 606 -9.463 5.490 8.819 840 HB3 LYS 606 HB3 LYS 606 -10.673 6.252 9.841 841 HG2 LYS 606 HG2 LYS 606 -8.883 7.671 7.879 842 HG3 LYS 606 HG3 LYS 606 -10.580 7.268 7.627 843 HD2 LYS 606 HD2 LYS 606 -11.226 8.721 9.457 844 HD3 LYS 606 HD3 LYS 606 -9.531 9.069 9.808 845 HE2 LYS 606 HE2 LYS 606 -10.974 9.739 7.245 846 HE3 LYS 606 HE3 LYS 606 -10.594 10.876 8.536 847 HZ1 LYS 606 HZ1 LYS 606 -8.232 10.419 8.155 848 HZ2 LYS 606 HZ2 LYS 606 -8.979 11.048 6.780 849 HZ3 LYS 606 HZ3 LYS 606 -8.623 9.396 6.863 850 H ASN 607 HN ASN 607 -9.800 5.366 12.392 851 HA ASN 607 HA ASN 607 -7.832 3.484 13.022 852 HB2 ASN 607 HB2 ASN 607 -9.631 3.999 14.573 853 HB3 ASN 607 HB3 ASN 607 -10.827 3.379 13.438 854 HD21 ASN 607 HD21 ASN 607 -8.323 2.555 15.701 855 HD22 ASN 607 HD22 ASN 607 -8.693 0.866 15.801 856 H VAL 608 HN VAL 608 -7.185 1.713 12.032 857 HA VAL 608 HA VAL 608 -8.265 1.140 9.450 858 HB VAL 608 HB VAL 608 -6.029 -0.245 10.928 859 HG11 VAL 608 HG11 VAL 608 -5.274 -0.872 8.668 860 HG12 VAL 608 HG12 VAL 608 -6.767 -0.199 8.014 861 HG13 VAL 608 HG13 VAL 608 -6.829 -1.587 9.097 862 HG21 VAL 608 HG21 VAL 608 -5.599 2.139 10.709 863 HG22 VAL 608 HG22 VAL 608 -5.951 2.062 8.981 864 HG23 VAL 608 HG23 VAL 608 -4.545 1.220 9.635 865 H ALA 609 HN ALA 609 -8.520 -0.369 12.599 866 HA ALA 609 HA ALA 609 -9.349 -2.931 11.807 867 HB1 ALA 609 HB1 ALA 609 -10.208 -1.372 14.243 868 HB2 ALA 609 HB2 ALA 609 -8.774 -2.390 14.118 869 HB3 ALA 609 HB3 ALA 609 -10.379 -3.113 14.016 870 H ALA 610 HN ALA 610 -11.095 0.089 12.140 871 HA ALA 610 HA ALA 610 -13.701 -0.921 11.717 872 HB1 ALA 610 HB1 ALA 610 -14.310 1.385 11.228 873 HB2 ALA 610 HB2 ALA 610 -12.607 1.821 11.094 874 HB3 ALA 610 HB3 ALA 610 -13.266 1.304 12.644 875 H ILE 611 HN ILE 611 -11.060 -0.129 9.602 876 HA ILE 611 HA ILE 611 -12.567 -0.061 7.181 877 HB ILE 611 HB ILE 611 -9.597 -0.554 7.586 878 HG12 ILE 611 HG12 ILE 611 -11.110 1.969 6.856 879 HG13 ILE 611 HG13 ILE 611 -10.417 1.630 8.436 880 HG21 ILE 611 HG21 ILE 611 -10.410 -1.367 5.415 881 HG22 ILE 611 HG22 ILE 611 -9.359 0.038 5.237 882 HG23 ILE 611 HG23 ILE 611 -11.109 0.218 5.087 883 HD11 ILE 611 HD11 ILE 611 -8.179 1.527 7.371 884 HD12 ILE 611 HD12 ILE 611 -8.965 3.103 7.247 885 HD13 ILE 611 HD13 ILE 611 -8.932 2.024 5.853 886 H ILE 612 HN ILE 612 -10.968 -2.573 9.071 887 HA ILE 612 HA ILE 612 -11.190 -4.709 7.283 888 HB ILE 612 HB ILE 612 -11.654 -4.860 10.272 889 HG12 ILE 612 HG12 ILE 612 -9.053 -5.167 8.768 890 HG13 ILE 612 HG13 ILE 612 -9.508 -3.729 9.675 891 HG21 ILE 612 HG21 ILE 612 -12.315 -6.874 9.098 892 HG22 ILE 612 HG22 ILE 612 -10.843 -7.170 10.025 893 HG23 ILE 612 HG23 ILE 612 -10.754 -6.936 8.279 894 HD11 ILE 612 HD11 ILE 612 -7.996 -5.130 10.946 895 HD12 ILE 612 HD12 ILE 612 -9.110 -6.489 10.804 896 HD13 ILE 612 HD13 ILE 612 -9.577 -5.059 11.724 897 H GLN 613 HN GLN 613 -13.492 -3.404 9.626 898 HA GLN 613 HA GLN 613 -15.588 -5.225 9.054 899 HB2 GLN 613 HB2 GLN 613 -15.756 -2.409 10.145 900 HB3 GLN 613 HB3 GLN 613 -17.023 -3.626 10.232 901 HG2 GLN 613 HG2 GLN 613 -14.306 -3.891 11.496 902 HG3 GLN 613 HG3 GLN 613 -15.761 -3.361 12.335 903 HE21 GLN 613 HE21 GLN 613 -15.603 -5.094 13.763 904 HE22 GLN 613 HE22 GLN 613 -16.030 -6.694 13.304 905 H ASP 614 HN ASP 614 -14.521 -2.281 7.626 906 HA ASP 614 HA ASP 614 -16.757 -1.738 5.975 907 HB2 ASP 614 HB2 ASP 614 -15.042 -0.050 6.395 908 HB3 ASP 614 HB3 ASP 614 -13.840 -1.040 5.574 909 H ILE 615 HN ILE 615 -13.757 -3.552 5.397 910 HA ILE 615 HA ILE 615 -14.300 -4.274 2.723 911 HB ILE 615 HB ILE 615 -12.647 -5.735 4.789 912 HG12 ILE 615 HG12 ILE 615 -11.745 -3.835 2.619 913 HG13 ILE 615 HG13 ILE 615 -12.007 -3.355 4.298 914 HG21 ILE 615 HG21 ILE 615 -12.596 -5.946 1.781 915 HG22 ILE 615 HG22 ILE 615 -13.275 -7.145 2.880 916 HG23 ILE 615 HG23 ILE 615 -11.548 -6.801 2.909 917 HD11 ILE 615 HD11 ILE 615 -9.703 -3.732 4.047 918 HD12 ILE 615 HD12 ILE 615 -9.971 -5.262 3.214 919 HD13 ILE 615 HD13 ILE 615 -10.336 -5.118 4.932 920 H HIS 616 HN HIS 616 -14.951 -5.880 5.803 921 HA HIS 616 HA HIS 616 -16.070 -8.226 4.682 922 HB2 HIS 616 HB2 HIS 616 -16.177 -6.981 7.412 923 HB3 HIS 616 HB3 HIS 616 -17.140 -8.405 7.033 924 HD1 HIS 616 HD1 HIS 616 -16.000 -10.592 7.346 925 HD2 HIS 616 HD2 HIS 616 -13.292 -7.467 6.918 926 HE1 HIS 616 HE1 HIS 616 -13.731 -11.601 7.746 927 HE2 HIS 616 HE2 HIS 616 -12.117 -9.683 7.542 928 H SER 617 HN SER 617 -17.386 -5.075 5.411 929 HA SER 617 HA SER 617 -20.108 -5.717 5.041 930 HB2 SER 617 HB2 SER 617 -19.218 -3.550 5.990 931 HB3 SER 617 HB3 SER 617 -18.773 -3.089 4.348 932 HG SER 617 HG SER 617 -21.019 -3.343 3.795 933 H GLN 618 HN GLN 618 -17.422 -5.273 2.953 934 HA GLN 618 HA GLN 618 -17.053 -6.097 0.888 935 HB2 GLN 618 HB2 GLN 618 -20.018 -6.647 0.849 936 HB3 GLN 618 HB3 GLN 618 -18.933 -7.041 -0.479 937 HG2 GLN 618 HG2 GLN 618 -17.738 -8.603 0.831 938 HG3 GLN 618 HG3 GLN 618 -18.494 -8.041 2.319 939 HE21 GLN 618 HE21 GLN 618 -19.197 -10.080 2.855 940 HE22 GLN 618 HE22 GLN 618 -20.503 -10.862 2.037 941 H ARG 619 HN ARG 619 -16.275 -4.488 -0.176 942 HA ARG 619 HA ARG 619 -17.988 -2.269 -1.011 943 HB2 ARG 619 HB2 ARG 619 -14.978 -2.572 -1.089 944 HB3 ARG 619 HB3 ARG 619 -15.866 -1.119 -1.521 945 HG2 ARG 619 HG2 ARG 619 -15.807 -2.386 1.212 946 HG3 ARG 619 HG3 ARG 619 -14.878 -0.972 0.709 947 HD2 ARG 619 HD2 ARG 619 -17.880 -1.204 0.850 948 HD3 ARG 619 HD3 ARG 619 -16.846 -0.276 1.933 949 HE ARG 619 HE ARG 619 -16.494 0.542 -0.765 950 HH11 ARG 619 HH11 ARG 619 -18.698 0.812 1.936 951 HH12 ARG 619 HH12 ARG 619 -19.338 2.340 1.425 952 HH21 ARG 619 HH21 ARG 619 -17.332 2.549 -1.445 953 HH22 ARG 619 HH22 ARG 619 -18.556 3.334 -0.498 954 H GLU 620 HN GLU 620 -18.121 -4.870 -2.291 955 HA GLU 620 HA GLU 620 -17.406 -4.035 -5.009 956 HB2 GLU 620 HB2 GLU 620 -15.807 -5.756 -4.192 957 HB3 GLU 620 HB3 GLU 620 -17.158 -6.851 -3.938 958 HG2 GLU 620 HG2 GLU 620 -17.636 -6.887 -6.294 959 HG3 GLU 620 HG3 GLU 620 -16.399 -5.669 -6.598 960 H ARG 621 HN ARG 621 -19.307 -3.589 -5.878 961 HA ARG 621 HA ARG 621 -21.429 -3.766 -6.645 962 HB2 ARG 621 HB2 ARG 621 -21.090 -6.690 -5.955 963 HB3 ARG 621 HB3 ARG 621 -22.442 -6.024 -6.860 964 HG2 ARG 621 HG2 ARG 621 -20.995 -5.381 -8.660 965 HG3 ARG 621 HG3 ARG 621 -19.568 -5.841 -7.730 966 HD2 ARG 621 HD2 ARG 621 -20.291 -8.159 -7.730 967 HD3 ARG 621 HD3 ARG 621 -21.758 -7.719 -8.602 968 HE ARG 621 HE ARG 621 -20.107 -6.928 -10.392 969 HH11 ARG 621 HH11 ARG 621 -19.496 -9.618 -8.232 970 HH12 ARG 621 HH12 ARG 621 -18.546 -10.496 -9.387 971 HH21 ARG 621 HH21 ARG 621 -18.839 -8.067 -11.902 972 HH22 ARG 621 HH22 ARG 621 -18.163 -9.607 -11.476 Start of MODEL 15 1 HO5' ADN 1 H5T ADE 1 10.055 -1.380 -14.331 2 H5'1 ADN 1 H5' ADE 1 11.937 -1.011 -12.803 3 H5'2 ADN 1 H5'' ADE 1 10.685 -0.197 -11.852 4 H4' ADN 1 H4' ADE 1 12.154 0.821 -14.002 5 H3' ADN 1 H3' ADE 1 10.882 2.014 -11.987 6 H2' ADN 1 H2' ADE 1 8.624 1.539 -12.729 7 HO2' ADN 1 HO2' ADE 1 9.294 3.935 -14.131 8 H1' ADN 1 H1' ADE 1 9.456 2.321 -15.577 9 H8 ADN 1 H8 ADE 1 8.394 -1.144 -15.199 10 HN61 ADN 1 H61 ADE 1 3.686 -0.775 -16.322 11 HN62 ADN 1 H62 ADE 1 2.596 0.582 -16.500 12 H2 ADN 1 H2 ADE 1 4.993 4.279 -15.663 13 H5' U 2 H5' URI 2 10.910 4.565 -9.920 14 H5'' U 2 H5'' URI 2 9.934 3.288 -10.676 15 H4' U 2 H4' URI 2 9.064 6.143 -10.265 16 H3' U 2 H3' URI 2 9.179 4.488 -8.147 17 H2' U 2 H2' URI 2 7.872 2.697 -9.197 18 HO2' U 2 HO2' URI 2 6.010 4.468 -7.943 19 H1' U 2 H1' URI 2 6.034 4.987 -10.144 20 H3 U 2 H3 URI 2 3.178 2.692 -12.641 21 H5 U 2 H5 URI 2 6.352 -0.022 -12.203 22 H6 U 2 H6 URI 2 7.525 1.666 -10.951 23 H5' C 3 H5' CYT 3 6.033 7.013 -4.727 24 H5'' C 3 H5'' CYT 3 7.352 8.143 -5.081 25 H4' C 3 H4' CYT 3 7.009 7.178 -2.683 26 H3' C 3 H3' CYT 3 9.104 8.509 -3.714 27 H2' C 3 H2' CYT 3 10.277 6.597 -4.612 28 HO2' C 3 HO2' CYT 3 11.096 7.383 -2.103 29 H1' C 3 H1' CYT 3 9.560 5.052 -2.056 30 H41 C 3 H41 CYT 3 10.982 0.682 -6.830 31 H42 C 3 H42 CYT 3 12.032 0.316 -5.481 32 H5 C 3 H5 CYT 3 9.461 2.573 -6.837 33 H6 C 3 H6 CYT 3 8.653 4.484 -5.554 34 H5' U 4 H5' URI 4 5.853 10.485 -2.537 35 H5'' U 4 H5'' URI 4 7.282 11.449 -2.126 36 H4' U 4 H4' URI 4 4.888 11.785 -1.017 37 H3' U 4 H3' URI 4 7.318 12.932 -0.513 38 H2' U 4 H2' URI 4 8.002 11.486 1.267 39 HO2' U 4 HO2' URI 4 6.089 13.095 2.641 40 H1' U 4 H1' URI 4 5.067 11.292 2.167 41 H3 U 4 H3 URI 4 6.673 8.887 5.625 42 H5 U 4 H5 URI 4 7.957 6.785 2.225 43 H6 U 4 H6 URI 4 7.135 8.606 0.883 44 H5' U 5 H5' URI 5 2.580 15.295 0.519 45 H5'' U 5 H5'' URI 5 3.294 13.768 1.077 46 H4' U 5 H4' URI 5 1.265 13.424 -0.988 47 H3' U 5 H3' URI 5 0.390 15.397 0.596 48 H2' U 5 H2' URI 5 0.727 14.283 2.713 49 HO2' U 5 HO2' URI 5 -1.796 13.210 1.923 50 H1' U 5 H1' URI 5 -0.374 11.709 1.467 51 H3 U 5 H3 URI 5 0.118 9.735 5.465 52 H5 U 5 H5 URI 5 3.842 11.562 4.814 53 H6 U 5 H6 URI 5 2.928 12.542 2.817 54 H5' A 6 H5' ADE 6 -5.136 15.876 -0.054 55 H5'' A 6 H5'' ADE 6 -3.867 17.009 -0.555 56 H4' A 6 H4' ADE 6 -4.524 16.066 2.225 57 H3' A 6 H3' ADE 6 -5.697 18.174 1.048 58 HO3' A 6 H3T ADE 6 -5.619 17.278 3.343 59 H2' A 6 H2' ADE 6 -3.653 19.339 0.460 60 HO2' A 6 HO2' ADE 6 -5.064 20.467 2.212 61 H1' A 6 H1' ADE 6 -2.604 18.607 3.256 62 H8 A 6 H8 ADE 6 -1.851 20.899 0.773 63 H61 A 6 H61 ADE 6 2.955 20.473 0.258 64 H62 A 6 H62 ADE 6 4.108 19.241 0.716 65 H2 A 6 H2 ADE 6 1.788 15.999 2.761 66 H1 GLY 510 HT1 GLY 510 21.946 -1.607 -9.816 67 H2 GLY 510 HT2 GLY 510 20.339 -1.990 -9.463 68 H3 GLY 510 HT3 GLY 510 21.566 -3.078 -9.072 69 HA2 GLY 510 HA3 GLY 510 22.492 -1.472 -7.500 70 HA3 GLY 510 HA2 GLY 510 21.149 -0.403 -7.875 71 H ALA 511 HN ALA 511 22.134 -3.340 -6.295 72 HA ALA 511 HA ALA 511 19.455 -3.645 -5.132 73 HB1 ALA 511 HB1 ALA 511 20.193 -5.876 -4.453 74 HB2 ALA 511 HB2 ALA 511 21.784 -5.562 -5.145 75 HB3 ALA 511 HB3 ALA 511 20.367 -5.642 -6.192 76 H MET 512 HN MET 512 19.358 -4.178 -2.799 77 HA MET 512 HA MET 512 21.624 -3.315 -1.187 78 HB2 MET 512 HB2 MET 512 20.281 -1.252 -1.775 79 HB3 MET 512 HB3 MET 512 18.933 -1.961 -0.898 80 HG2 MET 512 HG2 MET 512 20.233 -1.955 1.151 81 HG3 MET 512 HG3 MET 512 21.622 -1.303 0.284 82 HE1 MET 512 HE1 MET 512 20.579 1.746 2.466 83 HE2 MET 512 HE2 MET 512 21.900 0.692 1.963 84 HE3 MET 512 HE3 MET 512 20.568 0.043 2.919 85 H ALA 513 HN ALA 513 21.423 -3.943 1.032 86 HA ALA 513 HA ALA 513 19.763 -6.256 1.450 87 HB1 ALA 513 HB1 ALA 513 21.609 -4.809 3.354 88 HB2 ALA 513 HB2 ALA 513 22.033 -6.193 2.345 89 HB3 ALA 513 HB3 ALA 513 20.854 -6.375 3.642 90 H GLN 514 HN GLN 514 17.716 -5.210 1.190 91 HA GLN 514 HA GLN 514 16.805 -3.069 2.772 92 HB2 GLN 514 HB2 GLN 514 15.232 -5.253 1.401 93 HB3 GLN 514 HB3 GLN 514 14.555 -3.757 2.027 94 HG2 GLN 514 HG2 GLN 514 16.606 -3.958 -0.165 95 HG3 GLN 514 HG3 GLN 514 14.878 -3.699 -0.397 96 HE21 GLN 514 HE21 GLN 514 13.973 -1.719 0.188 97 HE22 GLN 514 HE22 GLN 514 14.942 -0.316 0.427 98 H ARG 515 HN ARG 515 15.859 -2.970 4.732 99 HA ARG 515 HA ARG 515 15.840 -5.364 6.368 100 HB2 ARG 515 HB2 ARG 515 15.032 -2.542 7.103 101 HB3 ARG 515 HB3 ARG 515 15.292 -3.873 8.220 102 HG2 ARG 515 HG2 ARG 515 17.362 -2.502 6.524 103 HG3 ARG 515 HG3 ARG 515 17.189 -2.412 8.276 104 HD2 ARG 515 HD2 ARG 515 17.654 -4.825 8.422 105 HD3 ARG 515 HD3 ARG 515 17.873 -4.874 6.673 106 HE ARG 515 HE ARG 515 19.555 -3.000 8.116 107 HH11 ARG 515 HH11 ARG 515 19.262 -6.165 6.660 108 HH12 ARG 515 HH12 ARG 515 20.973 -6.419 6.567 109 HH21 ARG 515 HH21 ARG 515 21.795 -3.310 7.974 110 HH22 ARG 515 HH22 ARG 515 22.420 -4.791 7.317 111 H LYS 516 HN LYS 516 14.029 -6.318 7.250 112 HA LYS 516 HA LYS 516 11.409 -5.171 6.600 113 HB2 LYS 516 HB2 LYS 516 12.101 -8.100 6.305 114 HB3 LYS 516 HB3 LYS 516 10.502 -7.397 6.100 115 HG2 LYS 516 HG2 LYS 516 12.884 -6.725 4.386 116 HG3 LYS 516 HG3 LYS 516 11.671 -7.937 3.980 117 HD2 LYS 516 HD2 LYS 516 9.949 -6.097 4.196 118 HD3 LYS 516 HD3 LYS 516 11.301 -4.964 4.269 119 HE2 LYS 516 HE2 LYS 516 10.625 -6.844 2.010 120 HE3 LYS 516 HE3 LYS 516 10.491 -5.088 2.002 121 HZ1 LYS 516 HZ1 LYS 516 12.897 -4.954 2.245 122 HZ2 LYS 516 HZ2 LYS 516 12.472 -5.804 0.851 123 HZ3 LYS 516 HZ3 LYS 516 13.012 -6.641 2.216 124 H GLY 517 HN GLY 517 13.065 -5.224 9.018 125 HA2 GLY 517 HA2 GLY 517 11.857 -7.185 10.777 126 HA3 GLY 517 HA3 GLY 517 13.034 -5.960 11.228 127 H ALA 518 HN ALA 518 12.354 -4.083 12.116 128 HA ALA 518 HA ALA 518 9.525 -3.812 12.700 129 HB1 ALA 518 HB1 ALA 518 10.196 -1.935 14.113 130 HB2 ALA 518 HB2 ALA 518 11.847 -2.064 13.506 131 HB3 ALA 518 HB3 ALA 518 11.160 -3.367 14.474 132 H GLY 519 HN GLY 519 11.776 -2.812 10.465 133 HA2 GLY 519 HA2 GLY 519 10.057 -0.621 9.506 134 HA3 GLY 519 HA3 GLY 519 11.771 -0.786 9.137 135 H ARG 520 HN ARG 520 8.629 -1.421 8.059 136 HA ARG 520 HA ARG 520 9.830 -2.885 5.808 137 HB2 ARG 520 HB2 ARG 520 7.057 -3.396 6.911 138 HB3 ARG 520 HB3 ARG 520 7.812 -4.224 5.559 139 HG2 ARG 520 HG2 ARG 520 9.535 -5.081 7.140 140 HG3 ARG 520 HG3 ARG 520 8.596 -4.379 8.459 141 HD2 ARG 520 HD2 ARG 520 8.092 -6.751 8.188 142 HD3 ARG 520 HD3 ARG 520 6.685 -5.759 7.829 143 HE ARG 520 HE ARG 520 7.096 -6.154 5.480 144 HH11 ARG 520 HH11 ARG 520 8.800 -8.214 7.744 145 HH12 ARG 520 HH12 ARG 520 9.071 -9.478 6.585 146 HH21 ARG 520 HH21 ARG 520 7.449 -7.838 3.955 147 HH22 ARG 520 HH22 ARG 520 8.298 -9.268 4.441 148 H VAL 521 HN VAL 521 9.411 -1.994 3.897 149 HA VAL 521 HA VAL 521 7.191 -0.080 3.732 150 HB VAL 521 HB VAL 521 9.802 0.003 2.235 151 HG11 VAL 521 HG11 VAL 521 8.910 2.150 1.329 152 HG12 VAL 521 HG12 VAL 521 7.331 1.681 1.956 153 HG13 VAL 521 HG13 VAL 521 8.112 0.700 0.725 154 HG21 VAL 521 HG21 VAL 521 10.139 2.111 3.405 155 HG22 VAL 521 HG22 VAL 521 9.937 0.783 4.548 156 HG23 VAL 521 HG23 VAL 521 8.605 1.896 4.243 157 H VAL 522 HN VAL 522 5.580 -0.727 2.522 158 HA VAL 522 HA VAL 522 6.182 -2.298 0.107 159 HB VAL 522 HB VAL 522 3.587 -2.409 1.656 160 HG11 VAL 522 HG11 VAL 522 3.161 -4.394 0.253 161 HG12 VAL 522 HG12 VAL 522 4.653 -4.060 -0.628 162 HG13 VAL 522 HG13 VAL 522 3.317 -2.908 -0.688 163 HG21 VAL 522 HG21 VAL 522 5.850 -4.403 1.646 164 HG22 VAL 522 HG22 VAL 522 4.278 -4.634 2.409 165 HG23 VAL 522 HG23 VAL 522 5.368 -3.382 3.001 166 H HIS 523 HN HIS 523 5.673 -1.191 -1.756 167 HA HIS 523 HA HIS 523 4.241 1.334 -1.362 168 HB2 HIS 523 HB2 HIS 523 6.590 1.420 -2.158 169 HB3 HIS 523 HB3 HIS 523 6.131 0.465 -3.560 170 HD1 HIS 523 HD1 HIS 523 5.360 1.734 -5.570 171 HD2 HIS 523 HD2 HIS 523 5.374 4.063 -2.131 172 HE1 HIS 523 HE1 HIS 523 4.942 4.085 -6.345 173 HE2 HIS 523 HE2 HIS 523 5.195 5.488 -4.277 174 H ILE 524 HN ILE 524 2.431 1.758 -2.411 175 HA ILE 524 HA ILE 524 1.498 -0.148 -4.454 176 HB ILE 524 HB ILE 524 -0.179 1.616 -2.655 177 HG12 ILE 524 HG12 ILE 524 0.462 -1.336 -2.488 178 HG13 ILE 524 HG13 ILE 524 0.924 -0.094 -1.334 179 HG21 ILE 524 HG21 ILE 524 -0.938 -0.558 -4.602 180 HG22 ILE 524 HG22 ILE 524 -1.293 1.164 -4.744 181 HG23 ILE 524 HG23 ILE 524 -2.049 0.209 -3.468 182 HD11 ILE 524 HD11 ILE 524 -0.918 -1.468 -0.533 183 HD12 ILE 524 HD12 ILE 524 -1.894 -0.969 -1.918 184 HD13 ILE 524 HD13 ILE 524 -1.394 0.222 -0.716 185 H CYS 525 HN CYS 525 1.049 0.706 -6.443 186 HA CYS 525 HA CYS 525 1.066 3.622 -6.663 187 HB2 CYS 525 HB2 CYS 525 2.573 3.289 -8.734 188 HB3 CYS 525 HB3 CYS 525 3.309 3.239 -7.137 189 HG CYS 525 HG CYS 525 2.670 0.196 -7.504 190 H ASN 526 HN ASN 526 0.470 4.388 -8.783 191 HA ASN 526 HA ASN 526 -0.649 4.396 -10.779 192 HB2 ASN 526 HB2 ASN 526 -1.311 1.500 -10.209 193 HB3 ASN 526 HB3 ASN 526 -1.840 2.379 -11.638 194 HD21 ASN 526 HD21 ASN 526 -0.197 0.014 -11.453 195 HD22 ASN 526 HD22 ASN 526 1.302 0.399 -12.226 196 H LEU 527 HN LEU 527 -1.507 5.062 -8.137 197 HA LEU 527 HA LEU 527 -4.392 4.605 -8.175 198 HB2 LEU 527 HB2 LEU 527 -2.535 5.923 -6.191 199 HB3 LEU 527 HB1 LEU 527 -4.276 5.938 -6.017 200 HG LEU 527 HG LEU 527 -2.645 3.400 -6.122 201 HD11 LEU 527 HD11 LEU 527 -2.948 3.316 -3.681 202 HD12 LEU 527 HD12 LEU 527 -3.661 4.929 -3.724 203 HD13 LEU 527 HD13 LEU 527 -1.972 4.702 -4.173 204 HD21 LEU 527 HD21 LEU 527 -4.669 2.414 -5.172 205 HD22 LEU 527 HD22 LEU 527 -4.996 3.170 -6.732 206 HD23 LEU 527 HD23 LEU 527 -5.468 3.984 -5.242 207 HA PRO 528 HA PRO 528 -4.596 8.548 -10.320 208 HB2 PRO 528 HB2 PRO 528 -7.492 8.369 -10.151 209 HB3 PRO 528 HB1 PRO 528 -6.457 8.241 -11.573 210 HG2 PRO 528 HG2 PRO 528 -7.854 6.139 -10.537 211 HG3 PRO 528 HG3 PRO 528 -6.341 5.961 -11.441 212 HD2 PRO 528 HD2 PRO 528 -6.808 5.875 -8.489 213 HD3 PRO 528 HD3 PRO 528 -5.713 4.899 -9.491 214 H GLU 529 HN GLU 529 -4.572 10.554 -9.502 215 HA GLU 529 HA GLU 529 -5.302 11.128 -6.834 216 HB2 GLU 529 HB2 GLU 529 -3.563 12.391 -7.957 217 HB3 GLU 529 HB3 GLU 529 -4.718 12.970 -9.152 218 HG2 GLU 529 HG2 GLU 529 -5.956 14.053 -7.231 219 HG3 GLU 529 HG3 GLU 529 -4.541 13.687 -6.244 220 H GLY 530 HN GLY 530 -7.169 11.913 -5.970 221 HA2 GLY 530 HA2 GLY 530 -9.342 12.817 -6.023 222 HA3 GLY 530 HA3 GLY 530 -9.336 12.673 -7.778 223 H SER 531 HN SER 531 -8.050 9.923 -6.542 224 HA SER 531 HA SER 531 -10.569 8.524 -6.127 225 HB2 SER 531 HB2 SER 531 -8.579 7.764 -8.274 226 HB3 SER 531 HB3 SER 531 -10.009 6.831 -7.831 227 HG SER 531 HG SER 531 -10.978 9.153 -8.291 228 H CYS 532 HN CYS 532 -7.698 9.224 -4.982 229 HA CYS 532 HA CYS 532 -6.848 6.521 -4.239 230 HB2 CYS 532 HB2 CYS 532 -5.554 9.173 -3.565 231 HB3 CYS 532 HB3 CYS 532 -4.861 7.580 -3.307 232 HG CYS 532 HG CYS 532 -5.654 8.335 -6.489 233 H THR 533 HN THR 533 -8.485 5.951 -2.756 234 HA THR 533 HA THR 533 -8.834 7.802 -0.500 235 HB THR 533 HB THR 533 -10.867 6.653 0.030 236 HG1 THR 533 HG1 THR 533 -10.872 4.818 -2.025 237 HG21 THR 533 HG21 THR 533 -12.171 6.851 -2.047 238 HG22 THR 533 HG22 THR 533 -10.675 6.916 -2.980 239 HG23 THR 533 HG23 THR 533 -11.067 8.211 -1.849 240 H GLU 534 HN GLU 534 -8.615 7.005 1.628 241 HA GLU 534 HA GLU 534 -6.524 5.145 1.990 242 HB2 GLU 534 HB2 GLU 534 -8.471 6.181 4.053 243 HB3 GLU 534 HB3 GLU 534 -6.949 5.370 4.387 244 HG2 GLU 534 HG2 GLU 534 -6.591 7.706 4.687 245 HG3 GLU 534 HG3 GLU 534 -5.765 7.242 3.191 246 H ASN 535 HN ASN 535 -9.942 4.959 1.983 247 HA ASN 535 HA ASN 535 -10.286 2.484 3.236 248 HB2 ASN 535 HB2 ASN 535 -12.166 3.945 2.922 249 HB3 ASN 535 HB3 ASN 535 -11.955 3.929 1.175 250 HD21 ASN 535 HD21 ASN 535 -12.862 2.001 3.952 251 HD22 ASN 535 HD22 ASN 535 -13.794 0.833 3.074 252 H ASP 536 HN ASP 536 -9.818 3.255 -0.252 253 HA ASP 536 HA ASP 536 -10.320 0.552 -1.062 254 HB2 ASP 536 HB2 ASP 536 -9.061 2.878 -2.524 255 HB3 ASP 536 HB3 ASP 536 -9.338 1.307 -3.264 256 H VAL 537 HN VAL 537 -7.467 2.493 -0.639 257 HA VAL 537 HA VAL 537 -5.557 0.634 -1.565 258 HB VAL 537 HB VAL 537 -5.095 2.773 0.525 259 HG11 VAL 537 HG11 VAL 537 -3.243 1.157 0.238 260 HG12 VAL 537 HG12 VAL 537 -2.808 2.796 -0.262 261 HG13 VAL 537 HG13 VAL 537 -3.186 1.574 -1.478 262 HG21 VAL 537 HG21 VAL 537 -5.023 2.965 -2.482 263 HG22 VAL 537 HG22 VAL 537 -4.513 4.228 -1.363 264 HG23 VAL 537 HG23 VAL 537 -6.201 3.724 -1.412 265 H ILE 538 HN ILE 538 -6.667 1.356 1.725 266 HA ILE 538 HA ILE 538 -5.196 -0.739 2.927 267 HB ILE 538 HB ILE 538 -7.610 0.740 3.964 268 HG12 ILE 538 HG12 ILE 538 -4.650 1.020 4.533 269 HG13 ILE 538 HG13 ILE 538 -5.638 2.152 3.611 270 HG21 ILE 538 HG21 ILE 538 -7.475 -1.380 5.072 271 HG22 ILE 538 HG22 ILE 538 -6.843 -0.150 6.167 272 HG23 ILE 538 HG23 ILE 538 -5.735 -1.209 5.291 273 HD11 ILE 538 HD11 ILE 538 -6.921 2.694 5.572 274 HD12 ILE 538 HD12 ILE 538 -5.200 2.894 5.912 275 HD13 ILE 538 HD13 ILE 538 -6.059 1.471 6.512 276 H ASN 539 HN ASN 539 -8.450 -0.585 1.507 277 HA ASN 539 HA ASN 539 -9.387 -3.066 2.388 278 HB2 ASN 539 HB2 ASN 539 -9.892 -1.708 -0.263 279 HB3 ASN 539 HB3 ASN 539 -10.657 -3.216 0.206 280 HD21 ASN 539 HD21 ASN 539 -10.829 -2.168 3.045 281 HD22 ASN 539 HD22 ASN 539 -12.189 -1.120 3.001 282 H LEU 540 HN LEU 540 -6.987 -2.290 -0.036 283 HA LEU 540 HA LEU 540 -6.850 -4.954 -1.070 284 HB2 LEU 540 HB2 LEU 540 -4.808 -2.727 -1.085 285 HB3 LEU 540 HB1 LEU 540 -4.695 -4.206 -2.018 286 HG LEU 540 HG LEU 540 -6.777 -2.050 -2.355 287 HD11 LEU 540 HD11 LEU 540 -5.683 -1.657 -4.489 288 HD12 LEU 540 HD12 LEU 540 -4.488 -2.899 -4.120 289 HD13 LEU 540 HD13 LEU 540 -4.557 -1.426 -3.154 290 HD21 LEU 540 HD21 LEU 540 -6.366 -4.627 -3.868 291 HD22 LEU 540 HD22 LEU 540 -7.475 -3.336 -4.330 292 HD23 LEU 540 HD23 LEU 540 -7.735 -4.225 -2.830 293 H GLY 541 HN GLY 541 -5.047 -3.089 1.362 294 HA2 GLY 541 HA2 GLY 541 -3.181 -5.062 2.012 295 HA3 GLY 541 HA3 GLY 541 -3.652 -3.720 3.041 296 H LEU 542 HN LEU 542 -6.241 -4.376 3.727 297 HA LEU 542 HA LEU 542 -5.542 -5.921 5.951 298 HB2 LEU 542 HB2 LEU 542 -8.129 -4.832 4.973 299 HB3 LEU 542 HB1 LEU 542 -8.066 -5.841 6.405 300 HG LEU 542 HG LEU 542 -6.445 -3.325 6.066 301 HD11 LEU 542 HD11 LEU 542 -8.087 -2.307 7.592 302 HD12 LEU 542 HD12 LEU 542 -9.086 -3.751 7.443 303 HD13 LEU 542 HD13 LEU 542 -8.782 -2.743 6.033 304 HD21 LEU 542 HD21 LEU 542 -5.517 -4.914 7.652 305 HD22 LEU 542 HD22 LEU 542 -7.075 -5.043 8.463 306 HD23 LEU 542 HD23 LEU 542 -6.186 -3.521 8.500 307 HA PRO 543 HA PRO 543 -8.419 -9.455 4.214 308 HB2 PRO 543 HB2 PRO 543 -7.582 -9.302 1.358 309 HB3 PRO 543 HB1 PRO 543 -9.155 -9.720 2.051 310 HG2 PRO 543 HG2 PRO 543 -8.821 -7.350 0.941 311 HG3 PRO 543 HG3 PRO 543 -9.696 -7.480 2.485 312 HD2 PRO 543 HD2 PRO 543 -6.838 -6.678 1.996 313 HD3 PRO 543 HD3 PRO 543 -8.054 -5.903 3.032 314 H PHE 544 HN PHE 544 -5.191 -8.625 3.032 315 HA PHE 544 HA PHE 544 -4.445 -11.456 3.156 316 HB2 PHE 544 HB2 PHE 544 -2.950 -9.090 2.025 317 HB3 PHE 544 HB3 PHE 544 -2.379 -10.753 1.996 318 HD1 PHE 544 HD1 PHE 544 -3.716 -12.454 0.712 319 HD2 PHE 544 HD2 PHE 544 -4.370 -8.266 0.361 320 HE1 PHE 544 HE1 PHE 544 -4.879 -12.820 -1.422 321 HE2 PHE 544 HE2 PHE 544 -5.536 -8.623 -1.776 322 HZ PHE 544 HZ PHE 544 -5.779 -10.870 -2.684 323 H GLY 545 HN GLY 545 -4.447 -8.811 5.178 324 HA2 GLY 545 HA2 GLY 545 -2.940 -10.020 7.167 325 HA3 GLY 545 HA3 GLY 545 -1.830 -8.993 6.277 326 H LYS 546 HN LYS 546 -1.689 -8.022 8.490 327 HA LYS 546 HA LYS 546 -3.999 -6.358 9.188 328 HB2 LYS 546 HB2 LYS 546 -3.056 -7.680 11.010 329 HB3 LYS 546 HB3 LYS 546 -1.470 -6.982 10.725 330 HG2 LYS 546 HG2 LYS 546 -2.329 -4.776 11.364 331 HG3 LYS 546 HG3 LYS 546 -3.914 -5.494 11.670 332 HD2 LYS 546 HD2 LYS 546 -2.946 -6.917 13.397 333 HD3 LYS 546 HD3 LYS 546 -1.348 -6.244 13.074 334 HE2 LYS 546 HE2 LYS 546 -2.315 -5.204 15.041 335 HE3 LYS 546 HE3 LYS 546 -2.162 -4.026 13.742 336 HZ1 LYS 546 HZ1 LYS 546 -4.294 -3.893 14.927 337 HZ2 LYS 546 HZ2 LYS 546 -4.672 -5.461 14.419 338 HZ3 LYS 546 HZ3 LYS 546 -4.492 -4.224 13.282 339 H VAL 547 HN VAL 547 -4.032 -4.328 8.445 340 HA VAL 547 HA VAL 547 -1.599 -2.988 7.658 341 HB VAL 547 HB VAL 547 -4.501 -2.131 7.643 342 HG11 VAL 547 HG11 VAL 547 -2.180 -0.700 6.357 343 HG12 VAL 547 HG12 VAL 547 -2.953 -0.199 7.860 344 HG13 VAL 547 HG13 VAL 547 -3.878 -0.206 6.358 345 HG21 VAL 547 HG21 VAL 547 -4.048 -3.893 6.076 346 HG22 VAL 547 HG22 VAL 547 -2.652 -3.021 5.444 347 HG23 VAL 547 HG23 VAL 547 -4.276 -2.381 5.202 348 H THR 548 HN THR 548 -0.381 -2.130 9.215 349 HA THR 548 HA THR 548 -1.630 -0.959 11.566 350 HB THR 548 HB THR 548 0.794 -0.676 12.286 351 HG1 THR 548 HG1 THR 548 2.191 -0.990 10.718 352 HG21 THR 548 HG21 THR 548 1.071 -3.071 12.797 353 HG22 THR 548 HG22 THR 548 -0.209 -3.453 11.646 354 HG23 THR 548 HG23 THR 548 -0.577 -2.521 13.096 355 H ASN 549 HN ASN 549 0.256 -0.024 8.777 356 HA ASN 549 HA ASN 549 -0.508 2.759 9.249 357 HB2 ASN 549 HB2 ASN 549 2.321 1.815 8.813 358 HB3 ASN 549 HB3 ASN 549 1.822 3.442 8.391 359 HD21 ASN 549 HD21 ASN 549 3.817 2.770 10.212 360 HD22 ASN 549 HD22 ASN 549 3.324 3.382 11.749 361 H TYR 550 HN TYR 550 -0.264 4.097 7.381 362 HA TYR 550 HA TYR 550 0.151 2.916 4.802 363 HB2 TYR 550 HB2 TYR 550 -2.172 3.395 4.018 364 HB3 TYR 550 HB3 TYR 550 -2.113 2.118 5.227 365 HD1 TYR 550 HD1 TYR 550 -3.875 4.909 4.233 366 HD2 TYR 550 HD2 TYR 550 -2.347 3.106 7.763 367 HE1 TYR 550 HE1 TYR 550 -5.522 6.139 5.579 368 HE2 TYR 550 HE2 TYR 550 -3.993 4.333 9.114 369 HH TYR 550 HH TYR 550 -6.637 5.979 7.720 370 H ILE 551 HN ILE 551 0.261 4.545 3.161 371 HA ILE 551 HA ILE 551 -0.084 7.327 4.034 372 HB ILE 551 HB ILE 551 2.372 6.255 2.628 373 HG12 ILE 551 HG12 ILE 551 2.155 7.478 5.390 374 HG13 ILE 551 HG13 ILE 551 2.333 5.755 5.069 375 HG21 ILE 551 HG21 ILE 551 1.757 8.453 1.825 376 HG22 ILE 551 HG22 ILE 551 3.228 8.548 2.793 377 HG23 ILE 551 HG23 ILE 551 1.686 9.061 3.479 378 HD11 ILE 551 HD11 ILE 551 4.498 6.149 4.063 379 HD12 ILE 551 HD12 ILE 551 4.442 6.799 5.701 380 HD13 ILE 551 HD13 ILE 551 4.319 7.888 4.315 381 H LEU 552 HN LEU 552 -1.255 8.358 2.431 382 HA LEU 552 HA LEU 552 -1.118 7.101 -0.212 383 HB2 LEU 552 HB2 LEU 552 -3.459 8.624 0.915 384 HB3 LEU 552 HB1 LEU 552 -3.361 7.882 -0.671 385 HG LEU 552 HG LEU 552 -3.623 6.560 2.006 386 HD11 LEU 552 HD11 LEU 552 -5.700 7.067 1.167 387 HD12 LEU 552 HD12 LEU 552 -5.443 5.424 0.572 388 HD13 LEU 552 HD13 LEU 552 -5.205 6.798 -0.502 389 HD21 LEU 552 HD21 LEU 552 -3.413 4.404 0.850 390 HD22 LEU 552 HD22 LEU 552 -1.903 5.314 0.856 391 HD23 LEU 552 HD23 LEU 552 -2.887 5.250 -0.607 392 H MET 553 HN MET 553 0.017 8.411 -1.610 393 HA MET 553 HA MET 553 0.094 11.245 -0.834 394 HB2 MET 553 HB2 MET 553 1.980 9.824 -2.725 395 HB3 MET 553 HB3 MET 553 2.157 11.444 -2.068 396 HG2 MET 553 HG2 MET 553 3.607 10.318 -0.732 397 HG3 MET 553 HG3 MET 553 2.136 10.162 0.224 398 HE1 MET 553 HE1 MET 553 3.298 8.298 -3.071 399 HE2 MET 553 HE2 MET 553 4.023 6.854 -2.363 400 HE3 MET 553 HE3 MET 553 4.737 8.438 -2.061 401 H LYS 554 HN LYS 554 -1.976 11.480 -1.737 402 HA LYS 554 HA LYS 554 -2.857 11.002 -4.219 403 HB2 LYS 554 HB2 LYS 554 -3.417 13.718 -3.105 404 HB3 LYS 554 HB3 LYS 554 -4.518 12.567 -3.848 405 HG2 LYS 554 HG2 LYS 554 -3.342 12.375 -1.076 406 HG3 LYS 554 HG3 LYS 554 -4.998 12.818 -1.483 407 HD2 LYS 554 HD2 LYS 554 -5.356 10.601 -2.438 408 HD3 LYS 554 HD3 LYS 554 -3.695 10.150 -2.051 409 HE2 LYS 554 HE2 LYS 554 -5.039 9.234 -0.341 410 HE3 LYS 554 HE3 LYS 554 -4.260 10.650 0.359 411 HZ1 LYS 554 HZ1 LYS 554 -6.634 10.435 0.923 412 HZ2 LYS 554 HZ2 LYS 554 -7.026 10.624 -0.718 413 HZ3 LYS 554 HZ3 LYS 554 -6.277 11.885 0.122 414 H SER 555 HN SER 555 -0.392 13.330 -3.411 415 HA SER 555 HA SER 555 -0.763 15.001 -5.688 416 HB2 SER 555 HB2 SER 555 1.438 15.928 -4.973 417 HB3 SER 555 HB3 SER 555 0.250 15.876 -3.670 418 HG SER 555 HG SER 555 2.444 15.067 -3.193 419 H THR 556 HN THR 556 1.328 12.265 -4.873 420 HA THR 556 HA THR 556 2.620 12.403 -7.481 421 HB THR 556 HB THR 556 4.065 10.588 -6.590 422 HG1 THR 556 HG1 THR 556 2.094 10.449 -4.749 423 HG21 THR 556 HG21 THR 556 4.732 12.916 -6.282 424 HG22 THR 556 HG22 THR 556 5.214 11.939 -4.897 425 HG23 THR 556 HG23 THR 556 3.806 12.994 -4.783 426 H ASN 557 HN ASN 557 -0.169 11.167 -6.447 427 HA ASN 557 HA ASN 557 -1.587 9.487 -7.029 428 HB2 ASN 557 HB2 ASN 557 0.186 9.493 -9.480 429 HB3 ASN 557 HB3 ASN 557 -1.288 8.543 -9.355 430 HD21 ASN 557 HD21 ASN 557 -0.746 11.811 -8.141 431 HD22 ASN 557 HD22 ASN 557 -1.907 12.576 -9.162 432 H GLN 558 HN GLN 558 0.461 8.780 -5.321 433 HA GLN 558 HA GLN 558 0.750 5.922 -5.863 434 HB2 GLN 558 HB2 GLN 558 3.051 7.791 -5.257 435 HB3 GLN 558 HB3 GLN 558 3.156 6.038 -5.126 436 HG2 GLN 558 HG2 GLN 558 2.775 5.770 -7.465 437 HG3 GLN 558 HG3 GLN 558 2.408 7.485 -7.647 438 HE21 GLN 558 HE21 GLN 558 4.058 8.963 -7.705 439 HE22 GLN 558 HE22 GLN 558 5.720 8.506 -7.859 440 H ALA 559 HN ALA 559 1.593 4.762 -3.796 441 HA ALA 559 HA ALA 559 1.074 6.224 -1.364 442 HB1 ALA 559 HB1 ALA 559 -0.773 4.070 -2.363 443 HB2 ALA 559 HB2 ALA 559 -1.164 5.768 -2.062 444 HB3 ALA 559 HB3 ALA 559 -0.763 4.700 -0.711 445 H PHE 560 HN PHE 560 1.315 4.906 0.525 446 HA PHE 560 HA PHE 560 2.984 2.490 0.138 447 HB2 PHE 560 HB2 PHE 560 3.199 4.600 2.285 448 HB3 PHE 560 HB3 PHE 560 4.017 3.050 2.369 449 HD1 PHE 560 HD1 PHE 560 5.770 2.495 0.706 450 HD2 PHE 560 HD2 PHE 560 4.059 6.380 0.996 451 HE1 PHE 560 HE1 PHE 560 7.691 3.430 -0.515 452 HE2 PHE 560 HE2 PHE 560 5.973 7.319 -0.229 453 HZ PHE 560 HZ PHE 560 7.793 5.845 -0.984 454 H LEU 561 HN LEU 561 2.777 0.804 1.641 455 HA LEU 561 HA LEU 561 0.450 0.910 3.425 456 HB2 LEU 561 HB2 LEU 561 -0.232 -0.079 1.264 457 HB3 LEU 561 HB1 LEU 561 1.029 -1.281 1.425 458 HG LEU 561 HG LEU 561 -0.101 -2.208 3.402 459 HD11 LEU 561 HD11 LEU 561 -2.372 -1.450 3.958 460 HD12 LEU 561 HD12 LEU 561 -2.207 -0.132 2.797 461 HD13 LEU 561 HD13 LEU 561 -1.170 -0.187 4.223 462 HD21 LEU 561 HD21 LEU 561 -1.863 -3.298 2.226 463 HD22 LEU 561 HD22 LEU 561 -0.595 -2.967 1.041 464 HD23 LEU 561 HD23 LEU 561 -2.037 -1.952 1.102 465 H GLU 562 HN GLU 562 1.111 0.356 5.382 466 HA GLU 562 HA GLU 562 3.490 -1.330 5.678 467 HB2 GLU 562 HB2 GLU 562 3.280 0.844 6.942 468 HB3 GLU 562 HB3 GLU 562 1.985 0.098 7.868 469 HG2 GLU 562 HG2 GLU 562 3.555 -1.648 8.613 470 HG3 GLU 562 HG3 GLU 562 4.846 -0.827 7.741 471 H MET 563 HN MET 563 3.482 -3.297 6.511 472 HA MET 563 HA MET 563 0.883 -4.455 7.250 473 HB2 MET 563 HB2 MET 563 3.082 -5.793 5.658 474 HB3 MET 563 HB3 MET 563 1.488 -6.449 6.017 475 HG2 MET 563 HG2 MET 563 0.417 -4.882 4.606 476 HG3 MET 563 HG3 MET 563 1.883 -3.919 4.453 477 HE1 MET 563 HE1 MET 563 1.403 -5.231 0.811 478 HE2 MET 563 HE2 MET 563 1.698 -3.810 1.815 479 HE3 MET 563 HE3 MET 563 0.169 -4.682 1.946 480 H ALA 564 HN ALA 564 0.873 -5.815 8.978 481 HA ALA 564 HA ALA 564 2.985 -5.337 10.842 482 HB1 ALA 564 HB1 ALA 564 1.568 -6.450 12.448 483 HB2 ALA 564 HB2 ALA 564 0.542 -7.068 11.156 484 HB3 ALA 564 HB3 ALA 564 0.611 -5.336 11.473 485 H TYR 565 HN TYR 565 2.436 -7.841 8.605 486 HA TYR 565 HA TYR 565 4.434 -9.509 9.946 487 HB2 TYR 565 HB2 TYR 565 1.783 -10.502 8.877 488 HB3 TYR 565 HB3 TYR 565 3.108 -11.546 9.371 489 HD1 TYR 565 HD1 TYR 565 0.361 -9.443 10.491 490 HD2 TYR 565 HD2 TYR 565 3.716 -11.731 11.756 491 HE1 TYR 565 HE1 TYR 565 -0.511 -9.439 12.787 492 HE2 TYR 565 HE2 TYR 565 2.853 -11.731 14.059 493 HH TYR 565 HH TYR 565 -0.306 -10.816 14.830 494 H THR 566 HN THR 566 5.684 -10.767 8.564 495 HA THR 566 HA THR 566 6.172 -9.685 6.016 496 HB THR 566 HB THR 566 7.891 -10.830 7.416 497 HG1 THR 566 HG1 THR 566 8.209 -12.324 5.190 498 HG21 THR 566 HG21 THR 566 8.073 -13.286 7.287 499 HG22 THR 566 HG22 THR 566 6.502 -13.345 6.486 500 HG23 THR 566 HG23 THR 566 6.624 -12.770 8.147 501 H GLU 567 HN GLU 567 4.204 -12.314 7.112 502 HA GLU 567 HA GLU 567 3.731 -13.724 4.774 503 HB2 GLU 567 HB2 GLU 567 1.632 -14.425 5.769 504 HB3 GLU 567 HB3 GLU 567 2.878 -14.372 7.011 505 HG2 GLU 567 HG2 GLU 567 2.014 -12.330 7.894 506 HG3 GLU 567 HG3 GLU 567 0.912 -12.148 6.534 507 H ALA 568 HN ALA 568 2.552 -10.596 5.770 508 HA ALA 568 HA ALA 568 0.298 -10.565 4.006 509 HB1 ALA 568 HB1 ALA 568 0.299 -9.336 6.116 510 HB2 ALA 568 HB2 ALA 568 0.021 -8.263 4.745 511 HB3 ALA 568 HB3 ALA 568 1.605 -8.315 5.518 512 H ALA 569 HN ALA 569 3.525 -9.056 3.987 513 HA ALA 569 HA ALA 569 3.070 -7.494 1.691 514 HB1 ALA 569 HB1 ALA 569 5.685 -8.484 2.814 515 HB2 ALA 569 HB2 ALA 569 4.850 -7.008 3.292 516 HB3 ALA 569 HB3 ALA 569 5.487 -7.171 1.655 517 H GLN 570 HN GLN 570 4.581 -10.681 2.123 518 HA GLN 570 HA GLN 570 5.244 -10.983 -0.610 519 HB2 GLN 570 HB2 GLN 570 5.657 -13.337 -0.085 520 HB3 GLN 570 HB3 GLN 570 6.378 -12.281 1.119 521 HG2 GLN 570 HG2 GLN 570 4.538 -12.744 2.643 522 HG3 GLN 570 HG3 GLN 570 3.788 -13.780 1.430 523 HE21 GLN 570 HE21 GLN 570 3.864 -15.592 2.729 524 HE22 GLN 570 HE22 GLN 570 5.342 -16.415 3.090 525 H ALA 571 HN ALA 571 2.371 -11.831 1.267 526 HA ALA 571 HA ALA 571 1.158 -13.470 -0.681 527 HB1 ALA 571 HB1 ALA 571 -0.144 -11.798 1.465 528 HB2 ALA 571 HB2 ALA 571 0.456 -13.442 1.664 529 HB3 ALA 571 HB3 ALA 571 -0.899 -13.124 0.583 530 H MET 572 HN MET 572 0.857 -10.002 0.030 531 HA MET 572 HA MET 572 -1.141 -9.553 -1.927 532 HB2 MET 572 HB2 MET 572 0.755 -7.518 -0.753 533 HB3 MET 572 HB3 MET 572 -0.779 -7.190 -1.549 534 HG2 MET 572 HG2 MET 572 -1.853 -8.587 0.262 535 HG3 MET 572 HG3 MET 572 -0.303 -8.509 1.096 536 HE1 MET 572 HE1 MET 572 -2.049 -7.603 3.049 537 HE2 MET 572 HE2 MET 572 -1.603 -5.937 3.416 538 HE3 MET 572 HE3 MET 572 -0.350 -7.136 3.095 539 H VAL 573 HN VAL 573 2.390 -9.019 -1.964 540 HA VAL 573 HA VAL 573 2.477 -7.781 -4.470 541 HB VAL 573 HB VAL 573 4.591 -9.469 -3.117 542 HG11 VAL 573 HG11 VAL 573 4.849 -7.611 -5.482 543 HG12 VAL 573 HG12 VAL 573 5.021 -9.366 -5.514 544 HG13 VAL 573 HG13 VAL 573 6.188 -8.382 -4.632 545 HG21 VAL 573 HG21 VAL 573 3.940 -7.479 -1.861 546 HG22 VAL 573 HG22 VAL 573 4.220 -6.479 -3.286 547 HG23 VAL 573 HG23 VAL 573 5.571 -7.308 -2.511 548 H GLN 574 HN GLN 574 2.806 -11.238 -3.630 549 HA GLN 574 HA GLN 574 3.221 -12.147 -6.258 550 HB2 GLN 574 HB2 GLN 574 1.986 -13.539 -3.881 551 HB3 GLN 574 HB3 GLN 574 2.379 -14.347 -5.391 552 HG2 GLN 574 HG2 GLN 574 4.728 -13.810 -5.086 553 HG3 GLN 574 HG3 GLN 574 4.349 -12.952 -3.593 554 HE21 GLN 574 HE21 GLN 574 3.745 -14.124 -1.776 555 HE22 GLN 574 HE22 GLN 574 4.043 -15.813 -1.631 556 H TYR 575 HN TYR 575 0.294 -11.469 -4.461 557 HA TYR 575 HA TYR 575 -1.488 -12.666 -6.340 558 HB2 TYR 575 HB2 TYR 575 -2.210 -12.340 -4.051 559 HB3 TYR 575 HB3 TYR 575 -1.974 -10.600 -4.183 560 HD1 TYR 575 HD1 TYR 575 -3.713 -9.217 -4.925 561 HD2 TYR 575 HD2 TYR 575 -4.006 -13.417 -5.514 562 HE1 TYR 575 HE1 TYR 575 -6.043 -8.944 -5.657 563 HE2 TYR 575 HE2 TYR 575 -6.340 -13.158 -6.248 564 HH TYR 575 HH TYR 575 -8.187 -11.569 -6.006 565 H TYR 576 HN TYR 576 -0.645 -9.268 -5.658 566 HA TYR 576 HA TYR 576 -2.199 -8.327 -7.848 567 HB2 TYR 576 HB2 TYR 576 -0.200 -6.890 -6.100 568 HB3 TYR 576 HB3 TYR 576 -1.243 -6.101 -7.281 569 HD1 TYR 576 HD1 TYR 576 -3.797 -6.468 -7.000 570 HD2 TYR 576 HD2 TYR 576 -0.963 -7.212 -3.918 571 HE1 TYR 576 HE1 TYR 576 -5.592 -6.347 -5.321 572 HE2 TYR 576 HE2 TYR 576 -2.747 -7.086 -2.234 573 HH TYR 576 HH TYR 576 -4.931 -6.264 -1.919 574 H GLN 577 HN GLN 577 1.021 -9.500 -7.703 575 HA GLN 577 HA GLN 577 2.003 -8.148 -10.014 576 HB2 GLN 577 HB2 GLN 577 2.747 -10.771 -8.726 577 HB3 GLN 577 HB3 GLN 577 3.511 -10.217 -10.207 578 HG2 GLN 577 HG2 GLN 577 3.460 -8.498 -7.759 579 HG3 GLN 577 HG3 GLN 577 4.671 -9.762 -7.963 580 HE21 GLN 577 HE21 GLN 577 6.251 -9.529 -9.504 581 HE22 GLN 577 HE22 GLN 577 6.573 -8.032 -10.301 582 H GLU 578 HN GLU 578 0.327 -11.225 -9.521 583 HA GLU 578 HA GLU 578 0.120 -11.652 -12.379 584 HB2 GLU 578 HB2 GLU 578 -0.927 -13.236 -10.034 585 HB3 GLU 578 HB3 GLU 578 -1.120 -13.717 -11.713 586 HG2 GLU 578 HG2 GLU 578 1.470 -13.403 -10.215 587 HG3 GLU 578 HG3 GLU 578 0.716 -14.913 -10.726 588 H LYS 579 HN LYS 579 -2.013 -10.708 -9.712 589 HA LYS 579 HA LYS 579 -4.097 -10.091 -11.687 590 HB2 LYS 579 HB2 LYS 579 -4.506 -11.308 -8.943 591 HB3 LYS 579 HB3 LYS 579 -5.786 -10.799 -10.033 592 HG2 LYS 579 HG2 LYS 579 -5.222 -12.515 -11.603 593 HG3 LYS 579 HG3 LYS 579 -3.783 -12.950 -10.675 594 HD2 LYS 579 HD2 LYS 579 -5.207 -13.610 -8.792 595 HD3 LYS 579 HD3 LYS 579 -6.640 -13.189 -9.731 596 HE2 LYS 579 HE2 LYS 579 -4.612 -15.250 -10.577 597 HE3 LYS 579 HE3 LYS 579 -6.092 -15.628 -9.699 598 HZ1 LYS 579 HZ1 LYS 579 -5.985 -14.289 -12.346 599 HZ2 LYS 579 HZ2 LYS 579 -7.382 -14.759 -11.518 600 HZ3 LYS 579 HZ3 LYS 579 -6.310 -15.930 -12.105 601 HA PRO 580 HA PRO 580 -2.891 -6.435 -9.166 602 HB2 PRO 580 HB2 PRO 580 -3.553 -4.925 -11.572 603 HB3 PRO 580 HB1 PRO 580 -2.021 -5.036 -10.704 604 HG2 PRO 580 HG2 PRO 580 -2.421 -6.127 -13.160 605 HG3 PRO 580 HG3 PRO 580 -1.265 -6.767 -11.980 606 HD2 PRO 580 HD2 PRO 580 -3.988 -7.753 -12.697 607 HD3 PRO 580 HD3 PRO 580 -2.527 -8.672 -12.280 608 H ALA 581 HN ALA 581 -4.132 -4.530 -8.548 609 HA ALA 581 HA ALA 581 -6.968 -5.204 -8.487 610 HB1 ALA 581 HB1 ALA 581 -5.790 -4.688 -6.383 611 HB2 ALA 581 HB2 ALA 581 -7.125 -3.579 -6.689 612 HB3 ALA 581 HB3 ALA 581 -5.464 -3.063 -6.982 613 H ILE 582 HN ILE 582 -8.557 -3.963 -9.349 614 HA ILE 582 HA ILE 582 -7.650 -1.919 -11.235 615 HB ILE 582 HB ILE 582 -10.301 -3.356 -11.116 616 HG12 ILE 582 HG12 ILE 582 -7.952 -3.795 -12.973 617 HG13 ILE 582 HG13 ILE 582 -8.382 -4.849 -11.630 618 HG21 ILE 582 HG21 ILE 582 -10.610 -2.458 -13.387 619 HG22 ILE 582 HG22 ILE 582 -9.105 -1.555 -13.217 620 HG23 ILE 582 HG23 ILE 582 -10.477 -1.184 -12.174 621 HD11 ILE 582 HD11 ILE 582 -10.098 -4.289 -14.038 622 HD12 ILE 582 HD12 ILE 582 -10.499 -5.370 -12.704 623 HD13 ILE 582 HD13 ILE 582 -9.140 -5.743 -13.764 624 H ILE 583 HN ILE 583 -7.880 0.124 -10.676 625 HA ILE 583 HA ILE 583 -10.413 0.901 -9.395 626 HB ILE 583 HB ILE 583 -7.704 2.101 -8.916 627 HG12 ILE 583 HG12 ILE 583 -9.750 0.623 -7.285 628 HG13 ILE 583 HG13 ILE 583 -8.030 0.291 -7.456 629 HG21 ILE 583 HG21 ILE 583 -10.407 3.156 -8.083 630 HG22 ILE 583 HG22 ILE 583 -9.348 3.876 -9.296 631 HG23 ILE 583 HG23 ILE 583 -8.843 3.821 -7.605 632 HD11 ILE 583 HD11 ILE 583 -8.524 1.154 -5.265 633 HD12 ILE 583 HD12 ILE 583 -9.271 2.582 -5.980 634 HD13 ILE 583 HD13 ILE 583 -7.539 2.309 -6.165 635 H ASN 584 HN ASN 584 -11.614 1.815 -10.922 636 HA ASN 584 HA ASN 584 -12.284 3.063 -12.684 637 HB2 ASN 584 HB2 ASN 584 -9.908 4.738 -11.858 638 HB3 ASN 584 HB3 ASN 584 -11.046 5.220 -13.113 639 HD21 ASN 584 HD21 ASN 584 -10.497 6.602 -10.690 640 HD22 ASN 584 HD22 ASN 584 -11.970 6.655 -9.783 641 H GLY 585 HN GLY 585 -10.626 0.826 -13.152 642 HA2 GLY 585 HA2 GLY 585 -9.983 -0.172 -15.134 643 HA3 GLY 585 HA3 GLY 585 -9.929 1.406 -15.894 644 H GLU 586 HN GLU 586 -8.179 1.580 -13.061 645 HA GLU 586 HA GLU 586 -5.693 1.228 -14.567 646 HB2 GLU 586 HB2 GLU 586 -6.299 2.705 -12.006 647 HB3 GLU 586 HB3 GLU 586 -4.673 2.492 -12.639 648 HG2 GLU 586 HG2 GLU 586 -6.934 3.914 -14.022 649 HG3 GLU 586 HG3 GLU 586 -5.568 4.675 -13.207 650 H LYS 587 HN LYS 587 -4.465 -0.458 -14.247 651 HA LYS 587 HA LYS 587 -4.850 -2.358 -12.163 652 HB2 LYS 587 HB2 LYS 587 -2.399 -2.059 -13.906 653 HB3 LYS 587 HB3 LYS 587 -2.942 -3.507 -13.078 654 HG2 LYS 587 HG2 LYS 587 -4.360 -2.163 -15.366 655 HG3 LYS 587 HG3 LYS 587 -3.355 -3.608 -15.479 656 HD2 LYS 587 HD2 LYS 587 -4.918 -4.724 -13.884 657 HD3 LYS 587 HD3 LYS 587 -5.963 -3.305 -13.997 658 HE2 LYS 587 HE2 LYS 587 -6.080 -3.651 -16.448 659 HE3 LYS 587 HE3 LYS 587 -5.148 -5.132 -16.251 660 HZ1 LYS 587 HZ1 LYS 587 -7.468 -5.649 -16.381 661 HZ2 LYS 587 HZ2 LYS 587 -7.835 -4.576 -15.131 662 HZ3 LYS 587 HZ3 LYS 587 -6.935 -5.971 -14.808 663 H LEU 588 HN LEU 588 -4.334 -1.940 -10.090 664 HA LEU 588 HA LEU 588 -2.287 -0.056 -9.385 665 HB2 LEU 588 HB2 LEU 588 -3.760 -1.989 -7.601 666 HB3 LEU 588 HB1 LEU 588 -2.878 -0.560 -7.100 667 HG LEU 588 HG LEU 588 -5.457 -0.631 -8.658 668 HD11 LEU 588 HD11 LEU 588 -5.841 -1.079 -6.361 669 HD12 LEU 588 HD12 LEU 588 -6.272 0.608 -6.644 670 HD13 LEU 588 HD13 LEU 588 -4.745 0.209 -5.861 671 HD21 LEU 588 HD21 LEU 588 -5.402 1.817 -8.500 672 HD22 LEU 588 HD22 LEU 588 -4.074 1.183 -9.473 673 HD23 LEU 588 HD23 LEU 588 -3.777 1.726 -7.821 674 H LEU 589 HN LEU 589 -0.288 -0.457 -8.638 675 HA LEU 589 HA LEU 589 0.623 -3.256 -8.824 676 HB2 LEU 589 HB2 LEU 589 1.494 -1.746 -10.585 677 HB3 LEU 589 HB1 LEU 589 2.220 -0.749 -9.338 678 HG LEU 589 HG LEU 589 3.623 -2.689 -8.665 679 HD11 LEU 589 HD11 LEU 589 3.794 -4.568 -10.263 680 HD12 LEU 589 HD12 LEU 589 2.372 -3.944 -11.100 681 HD13 LEU 589 HD13 LEU 589 2.241 -4.501 -9.432 682 HD21 LEU 589 HD21 LEU 589 5.125 -2.574 -10.590 683 HD22 LEU 589 HD22 LEU 589 4.493 -0.982 -10.169 684 HD23 LEU 589 HD23 LEU 589 3.836 -1.854 -11.554 685 H ILE 590 HN ILE 590 0.939 -4.066 -6.843 686 HA ILE 590 HA ILE 590 2.078 -2.323 -4.771 687 HB ILE 590 HB ILE 590 0.816 -5.057 -4.460 688 HG12 ILE 590 HG12 ILE 590 -0.251 -2.274 -3.968 689 HG13 ILE 590 HG13 ILE 590 -0.897 -3.490 -5.057 690 HG21 ILE 590 HG21 ILE 590 0.869 -4.564 -2.052 691 HG22 ILE 590 HG22 ILE 590 1.753 -3.074 -2.390 692 HG23 ILE 590 HG23 ILE 590 2.485 -4.636 -2.755 693 HD11 ILE 590 HD11 ILE 590 -1.477 -4.878 -3.096 694 HD12 ILE 590 HD12 ILE 590 -2.305 -3.324 -3.129 695 HD13 ILE 590 HD13 ILE 590 -0.932 -3.566 -2.041 696 H ARG 591 HN ARG 591 4.186 -2.456 -4.407 697 HA ARG 591 HA ARG 591 5.577 -5.005 -4.598 698 HB2 ARG 591 HB2 ARG 591 6.289 -2.591 -6.269 699 HB3 ARG 591 HB3 ARG 591 7.432 -3.880 -5.924 700 HG2 ARG 591 HG2 ARG 591 5.906 -5.482 -7.013 701 HG3 ARG 591 HG3 ARG 591 4.835 -4.141 -7.424 702 HD2 ARG 591 HD2 ARG 591 6.629 -3.098 -8.711 703 HD3 ARG 591 HD3 ARG 591 7.708 -4.424 -8.286 704 HE ARG 591 HE ARG 591 5.479 -5.565 -9.479 705 HH11 ARG 591 HH11 ARG 591 8.063 -3.368 -10.373 706 HH12 ARG 591 HH12 ARG 591 8.024 -3.810 -12.053 707 HH21 ARG 591 HH21 ARG 591 5.434 -6.145 -11.687 708 HH22 ARG 591 HH22 ARG 591 6.533 -5.380 -12.796 709 H MET 592 HN MET 592 7.884 -4.724 -3.814 710 HA MET 592 HA MET 592 7.752 -3.148 -1.375 711 HB2 MET 592 HB2 MET 592 9.868 -5.075 -2.343 712 HB3 MET 592 HB3 MET 592 9.803 -4.343 -0.745 713 HG2 MET 592 HG2 MET 592 7.661 -5.460 -0.333 714 HG3 MET 592 HG3 MET 592 7.765 -6.218 -1.920 715 HE1 MET 592 HE1 MET 592 7.471 -8.616 -0.958 716 HE2 MET 592 HE2 MET 592 7.282 -7.945 0.661 717 HE3 MET 592 HE3 MET 592 8.411 -9.270 0.383 718 H SER 593 HN SER 593 9.174 -1.498 -0.829 719 HA SER 593 HA SER 593 10.184 -0.060 -3.130 720 HB2 SER 593 HB2 SER 593 9.995 0.745 -0.226 721 HB3 SER 593 HB3 SER 593 10.483 1.808 -1.545 722 HG SER 593 HG SER 593 8.125 1.634 -0.764 723 H THR 594 HN THR 594 12.215 0.565 -3.497 724 HA THR 594 HA THR 594 14.301 -1.027 -2.230 725 HB THR 594 HB THR 594 15.722 -0.078 -4.115 726 HG1 THR 594 HG1 THR 594 14.184 0.598 -5.914 727 HG21 THR 594 HG21 THR 594 13.272 -1.684 -4.839 728 HG22 THR 594 HG22 THR 594 14.771 -2.330 -4.176 729 HG23 THR 594 HG23 THR 594 14.760 -1.596 -5.779 730 H ARG 595 HN ARG 595 13.075 2.126 -1.933 731 HA ARG 595 HA ARG 595 15.744 3.256 -1.402 732 HB2 ARG 595 HB2 ARG 595 13.124 4.584 -2.064 733 HB3 ARG 595 HB3 ARG 595 14.533 5.474 -1.507 734 HG2 ARG 595 HG2 ARG 595 15.791 4.703 -3.447 735 HG3 ARG 595 HG3 ARG 595 14.381 3.791 -3.994 736 HD2 ARG 595 HD2 ARG 595 14.669 5.999 -5.116 737 HD3 ARG 595 HD3 ARG 595 13.117 5.792 -4.305 738 HE ARG 595 HE ARG 595 14.993 7.034 -2.577 739 HH11 ARG 595 HH11 ARG 595 12.978 7.685 -5.360 740 HH12 ARG 595 HH12 ARG 595 12.791 9.371 -4.988 741 HH21 ARG 595 HH21 ARG 595 14.736 9.233 -2.070 742 HH22 ARG 595 HH22 ARG 595 13.780 10.249 -3.104 743 H TYR 596 HN TYR 596 12.618 2.657 0.041 744 HA TYR 596 HA TYR 596 13.597 3.911 2.509 745 HB2 TYR 596 HB2 TYR 596 10.815 3.692 1.392 746 HB3 TYR 596 HB3 TYR 596 11.101 4.030 3.096 747 HD1 TYR 596 HD1 TYR 596 11.371 5.347 -0.317 748 HD2 TYR 596 HD2 TYR 596 12.034 6.144 3.809 749 HE1 TYR 596 HE1 TYR 596 11.668 7.733 -0.831 750 HE2 TYR 596 HE2 TYR 596 12.332 8.531 3.305 751 HH TYR 596 HH TYR 596 12.846 9.985 1.513 752 H LYS 597 HN LYS 597 13.583 2.850 4.370 753 HA LYS 597 HA LYS 597 12.744 0.035 4.319 754 HB2 LYS 597 HB2 LYS 597 14.801 1.430 6.038 755 HB3 LYS 597 HB3 LYS 597 14.293 -0.237 6.270 756 HG2 LYS 597 HG2 LYS 597 16.308 -0.353 5.083 757 HG3 LYS 597 HG3 LYS 597 15.054 -0.638 3.878 758 HD2 LYS 597 HD2 LYS 597 15.193 1.795 3.287 759 HD3 LYS 597 HD3 LYS 597 16.591 1.912 4.359 760 HE2 LYS 597 HE2 LYS 597 17.760 0.242 3.021 761 HE3 LYS 597 HE3 LYS 597 16.354 0.097 1.968 762 HZ1 LYS 597 HZ1 LYS 597 16.650 2.413 1.326 763 HZ2 LYS 597 HZ2 LYS 597 18.048 1.520 0.998 764 HZ3 LYS 597 HZ3 LYS 597 17.994 2.544 2.341 765 H GLU 598 HN GLU 598 11.798 3.020 5.419 766 HA GLU 598 HA GLU 598 10.182 1.826 7.532 767 HB2 GLU 598 HB2 GLU 598 12.227 2.693 8.608 768 HB3 GLU 598 HB3 GLU 598 11.906 4.278 7.925 769 HG2 GLU 598 HG2 GLU 598 9.814 4.384 9.218 770 HG3 GLU 598 HG3 GLU 598 10.214 2.826 9.944 771 H LEU 599 HN LEU 599 8.341 3.010 8.058 772 HA LEU 599 HA LEU 599 7.593 5.050 6.066 773 HB2 LEU 599 HB2 LEU 599 5.809 3.054 7.470 774 HB3 LEU 599 HB1 LEU 599 5.274 4.269 6.320 775 HG LEU 599 HG LEU 599 7.161 2.000 5.683 776 HD11 LEU 599 HD11 LEU 599 4.234 2.357 5.107 777 HD12 LEU 599 HD12 LEU 599 4.996 1.088 6.072 778 HD13 LEU 599 HD13 LEU 599 5.263 1.155 4.330 779 HD21 LEU 599 HD21 LEU 599 5.829 4.025 3.898 780 HD22 LEU 599 HD22 LEU 599 6.820 2.665 3.372 781 HD23 LEU 599 HD23 LEU 599 7.545 3.969 4.308 782 H GLN 600 HN GLN 600 7.364 6.993 6.871 783 HA GLN 600 HA GLN 600 6.770 7.309 9.725 784 HB2 GLN 600 HB2 GLN 600 8.828 8.361 8.918 785 HB3 GLN 600 HB3 GLN 600 7.913 9.261 7.718 786 HG2 GLN 600 HG2 GLN 600 6.746 10.457 9.490 787 HG3 GLN 600 HG3 GLN 600 7.646 9.544 10.701 788 HE21 GLN 600 HE21 GLN 600 7.811 12.029 8.281 789 HE22 GLN 600 HE22 GLN 600 9.337 12.677 8.766 790 H LEU 601 HN LEU 601 4.862 8.049 10.372 791 HA LEU 601 HA LEU 601 2.885 8.801 8.399 792 HB2 LEU 601 HB2 LEU 601 2.724 8.495 11.395 793 HB3 LEU 601 HB1 LEU 601 1.366 8.944 10.385 794 HG LEU 601 HG LEU 601 2.838 6.303 10.368 795 HD11 LEU 601 HD11 LEU 601 0.670 5.432 11.078 796 HD12 LEU 601 HD12 LEU 601 0.014 7.070 11.095 797 HD13 LEU 601 HD13 LEU 601 1.296 6.620 12.221 798 HD21 LEU 601 HD21 LEU 601 0.590 7.279 8.599 799 HD22 LEU 601 HD22 LEU 601 1.158 5.613 8.696 800 HD23 LEU 601 HD23 LEU 601 2.229 6.875 8.086 801 H LYS 602 HN LYS 602 3.672 10.837 7.664 802 HA LYS 602 HA LYS 602 3.866 13.051 9.468 803 HB2 LYS 602 HB2 LYS 602 3.596 12.901 6.463 804 HB3 LYS 602 HB3 LYS 602 3.785 14.414 7.340 805 HG2 LYS 602 HG2 LYS 602 5.928 13.510 8.264 806 HG3 LYS 602 HG3 LYS 602 5.742 12.127 7.187 807 HD2 LYS 602 HD2 LYS 602 7.224 13.744 6.177 808 HD3 LYS 602 HD3 LYS 602 5.719 13.680 5.260 809 HE2 LYS 602 HE2 LYS 602 4.937 15.701 6.340 810 HE3 LYS 602 HE3 LYS 602 6.363 15.733 7.372 811 HZ1 LYS 602 HZ1 LYS 602 7.729 16.029 5.392 812 HZ2 LYS 602 HZ2 LYS 602 6.595 17.272 5.550 813 HZ3 LYS 602 HZ3 LYS 602 6.344 16.039 4.422 814 H LYS 603 HN LYS 603 1.322 11.391 7.916 815 HA LYS 603 HA LYS 603 -0.574 13.497 8.713 816 HB2 LYS 603 HB2 LYS 603 -0.856 11.339 6.610 817 HB3 LYS 603 HB3 LYS 603 -2.151 12.422 7.096 818 HG2 LYS 603 HG2 LYS 603 0.445 13.204 5.785 819 HG3 LYS 603 HG3 LYS 603 -1.154 13.192 5.039 820 HD2 LYS 603 HD2 LYS 603 -1.894 14.902 6.653 821 HD3 LYS 603 HD3 LYS 603 -0.271 14.934 7.342 822 HE2 LYS 603 HE2 LYS 603 -0.454 16.773 5.842 823 HE3 LYS 603 HE3 LYS 603 0.590 15.566 5.087 824 HZ1 LYS 603 HZ1 LYS 603 -1.319 14.823 3.770 825 HZ2 LYS 603 HZ2 LYS 603 -0.991 16.461 3.501 826 HZ3 LYS 603 HZ3 LYS 603 -2.289 16.010 4.486 827 HA PRO 604 HA PRO 604 -2.131 10.902 11.863 828 HB2 PRO 604 HB2 PRO 604 -4.830 11.339 11.698 829 HB3 PRO 604 HB1 PRO 604 -3.688 12.479 12.421 830 HG2 PRO 604 HG2 PRO 604 -4.884 12.478 9.678 831 HG3 PRO 604 HG3 PRO 604 -4.625 13.838 10.785 832 HD2 PRO 604 HD2 PRO 604 -2.978 13.370 8.718 833 HD3 PRO 604 HD3 PRO 604 -2.374 13.995 10.264 834 H GLY 605 HN GLY 605 -3.322 9.005 12.337 835 HA2 GLY 605 HA2 GLY 605 -4.032 7.458 9.933 836 HA3 GLY 605 HA3 GLY 605 -3.274 6.763 11.363 837 H LYS 606 HN LYS 606 -6.040 6.779 9.814 838 HA LYS 606 HA LYS 606 -7.798 7.176 12.114 839 HB2 LYS 606 HB2 LYS 606 -8.526 6.375 9.289 840 HB3 LYS 606 HB3 LYS 606 -9.627 6.927 10.542 841 HG2 LYS 606 HG2 LYS 606 -7.490 8.566 9.190 842 HG3 LYS 606 HG3 LYS 606 -9.231 8.687 8.934 843 HD2 LYS 606 HD2 LYS 606 -7.809 9.230 11.541 844 HD3 LYS 606 HD3 LYS 606 -8.362 10.462 10.407 845 HE2 LYS 606 HE2 LYS 606 -10.667 9.704 10.709 846 HE3 LYS 606 HE3 LYS 606 -10.114 8.468 11.839 847 HZ1 LYS 606 HZ1 LYS 606 -9.331 10.199 13.313 848 HZ2 LYS 606 HZ2 LYS 606 -10.971 10.431 12.975 849 HZ3 LYS 606 HZ3 LYS 606 -9.808 11.398 12.220 850 H ASN 607 HN ASN 607 -9.424 5.427 12.600 851 HA ASN 607 HA ASN 607 -8.289 3.033 13.227 852 HB2 ASN 607 HB2 ASN 607 -10.456 3.965 14.074 853 HB3 ASN 607 HB3 ASN 607 -11.210 3.473 12.566 854 HD21 ASN 607 HD21 ASN 607 -11.848 2.686 15.260 855 HD22 ASN 607 HD22 ASN 607 -11.679 0.967 15.328 856 H VAL 608 HN VAL 608 -7.574 1.403 12.100 857 HA VAL 608 HA VAL 608 -8.386 1.087 9.315 858 HB VAL 608 HB VAL 608 -6.066 -0.063 10.874 859 HG11 VAL 608 HG11 VAL 608 -6.724 -1.706 9.253 860 HG12 VAL 608 HG12 VAL 608 -5.254 -0.904 8.695 861 HG13 VAL 608 HG13 VAL 608 -6.815 -0.479 7.994 862 HG21 VAL 608 HG21 VAL 608 -6.182 1.963 8.641 863 HG22 VAL 608 HG22 VAL 608 -4.710 1.335 9.384 864 HG23 VAL 608 HG23 VAL 608 -5.837 2.298 10.338 865 H ALA 609 HN ALA 609 -8.585 -0.516 12.412 866 HA ALA 609 HA ALA 609 -9.349 -3.084 11.553 867 HB1 ALA 609 HB1 ALA 609 -10.336 -3.351 13.772 868 HB2 ALA 609 HB2 ALA 609 -10.207 -1.614 14.046 869 HB3 ALA 609 HB3 ALA 609 -8.749 -2.590 13.873 870 H ALA 610 HN ALA 610 -11.142 -0.104 11.979 871 HA ALA 610 HA ALA 610 -13.740 -1.125 11.531 872 HB1 ALA 610 HB1 ALA 610 -14.368 1.185 11.075 873 HB2 ALA 610 HB2 ALA 610 -12.669 1.634 10.941 874 HB3 ALA 610 HB3 ALA 610 -13.320 1.095 12.489 875 H ILE 611 HN ILE 611 -11.093 -0.342 9.444 876 HA ILE 611 HA ILE 611 -12.571 -0.260 7.005 877 HB ILE 611 HB ILE 611 -9.619 -0.765 7.479 878 HG12 ILE 611 HG12 ILE 611 -11.095 1.749 6.666 879 HG13 ILE 611 HG13 ILE 611 -10.444 1.432 8.270 880 HG21 ILE 611 HG21 ILE 611 -11.038 -0.021 4.922 881 HG22 ILE 611 HG22 ILE 611 -10.381 -1.613 5.298 882 HG23 ILE 611 HG23 ILE 611 -9.298 -0.231 5.134 883 HD11 ILE 611 HD11 ILE 611 -8.954 2.881 7.084 884 HD12 ILE 611 HD12 ILE 611 -8.890 1.770 5.718 885 HD13 ILE 611 HD13 ILE 611 -8.178 1.304 7.263 886 H ILE 612 HN ILE 612 -10.980 -2.789 8.904 887 HA ILE 612 HA ILE 612 -11.250 -4.922 7.116 888 HB ILE 612 HB ILE 612 -11.626 -5.094 10.112 889 HG12 ILE 612 HG12 ILE 612 -9.071 -5.373 8.526 890 HG13 ILE 612 HG13 ILE 612 -9.500 -3.961 9.486 891 HG21 ILE 612 HG21 ILE 612 -10.798 -7.402 9.806 892 HG22 ILE 612 HG22 ILE 612 -10.806 -7.144 8.060 893 HG23 ILE 612 HG23 ILE 612 -12.320 -7.102 8.965 894 HD11 ILE 612 HD11 ILE 612 -9.055 -6.749 10.530 895 HD12 ILE 612 HD12 ILE 612 -9.500 -5.346 11.501 896 HD13 ILE 612 HD13 ILE 612 -7.943 -5.388 10.673 897 H GLN 613 HN GLN 613 -13.527 -3.547 9.451 898 HA GLN 613 HA GLN 613 -15.662 -5.349 9.024 899 HB2 GLN 613 HB2 GLN 613 -15.846 -2.399 9.679 900 HB3 GLN 613 HB3 GLN 613 -17.107 -3.595 9.924 901 HG2 GLN 613 HG2 GLN 613 -15.765 -4.703 11.608 902 HG3 GLN 613 HG3 GLN 613 -14.445 -3.565 11.326 903 HE21 GLN 613 HE21 GLN 613 -14.482 -2.810 13.445 904 HE22 GLN 613 HE22 GLN 613 -15.741 -1.799 14.036 905 H ASP 614 HN ASP 614 -14.595 -2.485 7.415 906 HA ASP 614 HA ASP 614 -16.821 -2.030 5.735 907 HB2 ASP 614 HB2 ASP 614 -15.203 -0.282 6.132 908 HB3 ASP 614 HB3 ASP 614 -13.919 -1.254 5.423 909 H ILE 615 HN ILE 615 -13.766 -3.743 5.164 910 HA ILE 615 HA ILE 615 -14.162 -4.447 2.496 911 HB ILE 615 HB ILE 615 -12.723 -5.984 4.665 912 HG12 ILE 615 HG12 ILE 615 -11.604 -4.093 2.591 913 HG13 ILE 615 HG13 ILE 615 -11.990 -3.617 4.246 914 HG21 ILE 615 HG21 ILE 615 -13.252 -7.347 2.669 915 HG22 ILE 615 HG22 ILE 615 -11.525 -7.105 2.904 916 HG23 ILE 615 HG23 ILE 615 -12.384 -6.178 1.675 917 HD11 ILE 615 HD11 ILE 615 -9.970 -5.665 3.396 918 HD12 ILE 615 HD12 ILE 615 -10.385 -5.278 5.065 919 HD13 ILE 615 HD13 ILE 615 -9.644 -4.056 4.035 920 H HIS 616 HN HIS 616 -14.960 -6.233 5.456 921 HA HIS 616 HA HIS 616 -16.158 -8.425 4.090 922 HB2 HIS 616 HB2 HIS 616 -16.201 -7.513 6.956 923 HB3 HIS 616 HB3 HIS 616 -17.142 -8.897 6.415 924 HD1 HIS 616 HD1 HIS 616 -15.938 -11.085 6.182 925 HD2 HIS 616 HD2 HIS 616 -13.345 -7.883 6.710 926 HE1 HIS 616 HE1 HIS 616 -13.674 -12.106 6.560 927 HE2 HIS 616 HE2 HIS 616 -12.159 -10.157 7.047 928 H SER 617 HN SER 617 -17.329 -5.359 5.239 929 HA SER 617 HA SER 617 -20.079 -5.917 5.194 930 HB2 SER 617 HB2 SER 617 -19.005 -3.899 6.240 931 HB3 SER 617 HB3 SER 617 -18.766 -3.254 4.618 932 HG SER 617 HG SER 617 -20.660 -2.395 5.338 933 H GLN 618 HN GLN 618 -17.785 -5.051 2.718 934 HA GLN 618 HA GLN 618 -17.847 -5.146 0.457 935 HB2 GLN 618 HB2 GLN 618 -20.633 -6.280 0.788 936 HB3 GLN 618 HB3 GLN 618 -19.711 -6.253 -0.707 937 HG2 GLN 618 HG2 GLN 618 -18.910 -7.719 1.797 938 HG3 GLN 618 HG3 GLN 618 -19.687 -8.447 0.395 939 HE21 GLN 618 HE21 GLN 618 -17.110 -9.026 1.610 940 HE22 GLN 618 HE22 GLN 618 -15.926 -8.800 0.370 941 H ARG 619 HN ARG 619 -21.160 -4.279 1.454 942 HA ARG 619 HA ARG 619 -20.770 -1.681 0.114 943 HB2 ARG 619 HB2 ARG 619 -23.335 -3.283 0.307 944 HB3 ARG 619 HB3 ARG 619 -23.189 -1.675 -0.390 945 HG2 ARG 619 HG2 ARG 619 -21.779 -2.521 -2.154 946 HG3 ARG 619 HG3 ARG 619 -21.779 -4.126 -1.422 947 HD2 ARG 619 HD2 ARG 619 -23.340 -4.066 -3.266 948 HD3 ARG 619 HD3 ARG 619 -24.213 -4.249 -1.747 949 HE ARG 619 HE ARG 619 -23.985 -1.515 -2.577 950 HH11 ARG 619 HH11 ARG 619 -25.816 -4.467 -2.986 951 HH12 ARG 619 HH12 ARG 619 -27.251 -3.655 -3.528 952 HH21 ARG 619 HH21 ARG 619 -25.881 -0.437 -3.272 953 HH22 ARG 619 HH22 ARG 619 -27.289 -1.363 -3.688 954 H GLU 620 HN GLU 620 -21.566 0.122 1.222 955 HA GLU 620 HA GLU 620 -22.152 -0.414 4.047 956 HB2 GLU 620 HB2 GLU 620 -20.783 1.882 2.672 957 HB3 GLU 620 HB3 GLU 620 -21.425 2.051 4.299 958 HG2 GLU 620 HG2 GLU 620 -19.481 -0.103 3.534 959 HG3 GLU 620 HG3 GLU 620 -18.980 1.485 4.117 960 H ARG 621 HN ARG 621 -24.113 -0.500 2.013 961 HA ARG 621 HA ARG 621 -26.177 0.967 3.212 962 HB2 ARG 621 HB2 ARG 621 -25.090 2.881 2.082 963 HB3 ARG 621 HB3 ARG 621 -25.288 2.067 0.537 964 HG2 ARG 621 HG2 ARG 621 -27.673 2.221 0.690 965 HG3 ARG 621 HG3 ARG 621 -27.567 2.857 2.334 966 HD2 ARG 621 HD2 ARG 621 -27.992 4.624 0.683 967 HD3 ARG 621 HD3 ARG 621 -26.457 4.850 1.518 968 HE ARG 621 HE ARG 621 -26.352 3.468 -1.036 969 HH11 ARG 621 HH11 ARG 621 -25.993 6.481 0.711 970 HH12 ARG 621 HH12 ARG 621 -25.013 7.219 -0.516 971 HH21 ARG 621 HH21 ARG 621 -25.057 4.446 -2.650 972 HH22 ARG 621 HH22 ARG 621 -24.494 6.071 -2.428 Start of MODEL 16 1 HO5' ADN 1 H5T ADE 1 7.125 4.987 -14.992 2 H5'1 ADN 1 H5' ADE 1 9.129 5.763 -14.563 3 H5'2 ADN 1 H5'' ADE 1 9.843 4.551 -15.637 4 H4' ADN 1 H4' ADE 1 9.918 4.286 -13.042 5 H3' ADN 1 H3' ADE 1 10.534 2.506 -14.932 6 H2' ADN 1 H2' ADE 1 8.259 1.762 -15.377 7 HO2' ADN 1 HO2' ADE 1 9.366 0.165 -13.290 8 H1' ADN 1 H1' ADE 1 7.807 1.648 -12.345 9 H8 ADN 1 H8 ADE 1 5.638 3.983 -14.095 10 HN61 ADN 1 H61 ADE 1 1.717 1.198 -14.793 11 HN62 ADN 1 H62 ADE 1 1.439 -0.525 -14.683 12 H2 ADN 1 H2 ADE 1 5.323 -2.393 -13.458 13 H5' U 2 H5' URI 2 10.653 3.084 -9.712 14 H5'' U 2 H5'' URI 2 9.497 2.861 -11.037 15 H4' U 2 H4' URI 2 10.059 5.662 -10.491 16 H3' U 2 H3' URI 2 10.078 4.515 -8.092 17 H2' U 2 H2' URI 2 8.074 3.164 -8.400 18 HO2' U 2 HO2' URI 2 7.645 5.598 -7.091 19 H1' U 2 H1' URI 2 6.717 5.651 -9.589 20 H3 U 2 H3 URI 2 3.011 3.618 -10.946 21 H5 U 2 H5 URI 2 5.776 0.460 -10.847 22 H6 U 2 H6 URI 2 7.436 2.033 -10.109 23 H5' C 3 H5' CYT 3 8.661 8.595 -6.747 24 H5'' C 3 H5'' CYT 3 9.822 9.306 -5.611 25 H4' C 3 H4' CYT 3 7.651 8.349 -4.688 26 H3' C 3 H3' CYT 3 10.040 8.676 -3.421 27 H2' C 3 H2' CYT 3 10.841 6.432 -3.637 28 HO2' C 3 HO2' CYT 3 8.997 6.328 -1.461 29 H1' C 3 H1' CYT 3 7.972 5.404 -3.282 30 H41 C 3 H41 CYT 3 11.490 0.770 -6.451 31 H42 C 3 H42 CYT 3 10.713 -0.023 -5.099 32 H5 C 3 H5 CYT 3 11.318 3.148 -6.859 33 H6 C 3 H6 CYT 3 10.379 5.248 -6.053 34 H5' U 4 H5' URI 4 6.228 8.960 -0.765 35 H5'' U 4 H5'' URI 4 6.211 10.369 -1.844 36 H4' U 4 H4' URI 4 4.879 11.176 -0.240 37 H3' U 4 H3' URI 4 7.322 12.368 -0.041 38 H2' U 4 H2' URI 4 8.138 11.133 1.841 39 HO2' U 4 HO2' URI 4 7.994 12.490 3.525 40 H1' U 4 H1' URI 4 5.300 11.116 3.017 41 H3 U 4 H3 URI 4 6.942 8.887 6.550 42 H5 U 4 H5 URI 4 8.431 6.735 3.268 43 H6 U 4 H6 URI 4 7.482 8.420 1.836 44 H5' U 5 H5' URI 5 2.943 14.643 1.772 45 H5'' U 5 H5'' URI 5 3.706 13.053 1.589 46 H4' U 5 H4' URI 5 1.549 13.021 -0.171 47 H3' U 5 H3' URI 5 0.691 15.034 1.354 48 H2' U 5 H2' URI 5 1.145 13.927 3.491 49 HO2' U 5 HO2' URI 5 -1.521 13.652 2.606 50 H1' U 5 H1' URI 5 -0.230 11.456 2.269 51 H3 U 5 H3 URI 5 0.079 9.257 6.147 52 H5 U 5 H5 URI 5 3.898 10.955 5.705 53 H6 U 5 H6 URI 5 3.088 12.081 3.741 54 H5' A 6 H5' ADE 6 -2.889 13.014 0.628 55 H5'' A 6 H5'' ADE 6 -4.391 13.766 0.056 56 H4' A 6 H4' ADE 6 -3.671 13.579 2.635 57 H3' A 6 H3' ADE 6 -5.858 14.591 1.466 58 HO3' A 6 H3T ADE 6 -5.043 15.167 4.094 59 H2' A 6 H2' ADE 6 -4.958 16.746 0.873 60 HO2' A 6 HO2' ADE 6 -5.949 16.866 3.537 61 H1' A 6 H1' ADE 6 -3.545 16.886 3.590 62 H8 A 6 H8 ADE 6 -4.366 19.134 1.228 63 H61 A 6 H61 ADE 6 -0.204 21.185 -0.171 64 H62 A 6 H62 ADE 6 1.478 20.735 0.006 65 H2 A 6 H2 ADE 6 1.547 16.844 2.229 66 H1 GLY 510 HT1 GLY 510 16.484 -17.297 1.454 67 H2 GLY 510 HT2 GLY 510 15.307 -17.323 2.668 68 H3 GLY 510 HT3 GLY 510 16.470 -18.546 2.595 69 HA2 GLY 510 HA3 GLY 510 16.974 -16.972 4.359 70 HA3 GLY 510 HA2 GLY 510 18.217 -16.994 3.116 71 H ALA 511 HN ALA 511 18.779 -14.872 3.952 72 HA ALA 511 HA ALA 511 16.903 -12.712 3.580 73 HB1 ALA 511 HB1 ALA 511 18.745 -11.283 4.345 74 HB2 ALA 511 HB2 ALA 511 19.830 -12.671 4.307 75 HB3 ALA 511 HB3 ALA 511 18.476 -12.641 5.434 76 H MET 512 HN MET 512 16.627 -11.577 1.776 77 HA MET 512 HA MET 512 18.815 -11.265 -0.117 78 HB2 MET 512 HB2 MET 512 17.457 -11.988 -2.033 79 HB3 MET 512 HB3 MET 512 17.717 -13.302 -0.897 80 HG2 MET 512 HG2 MET 512 15.466 -12.924 0.021 81 HG3 MET 512 HG3 MET 512 15.210 -11.660 -1.179 82 HE1 MET 512 HE1 MET 512 16.651 -12.915 -3.754 83 HE2 MET 512 HE2 MET 512 15.085 -12.106 -3.795 84 HE3 MET 512 HE3 MET 512 15.273 -13.698 -4.530 85 H ALA 513 HN ALA 513 18.644 -9.456 -1.387 86 HA ALA 513 HA ALA 513 18.007 -7.402 -2.062 87 HB1 ALA 513 HB1 ALA 513 15.961 -8.444 -2.854 88 HB2 ALA 513 HB2 ALA 513 15.658 -6.817 -2.246 89 HB3 ALA 513 HB3 ALA 513 15.231 -8.219 -1.266 90 H GLN 514 HN GLN 514 15.731 -7.732 0.542 91 HA GLN 514 HA GLN 514 17.216 -5.771 2.121 92 HB2 GLN 514 HB2 GLN 514 14.350 -5.517 1.247 93 HB3 GLN 514 HB3 GLN 514 14.952 -4.699 2.682 94 HG2 GLN 514 HG2 GLN 514 16.575 -3.499 1.339 95 HG3 GLN 514 HG3 GLN 514 16.031 -4.354 -0.104 96 HE21 GLN 514 HE21 GLN 514 14.080 -3.829 -1.018 97 HE22 GLN 514 HE22 GLN 514 13.235 -2.374 -0.632 98 H ARG 515 HN ARG 515 15.977 -5.479 4.317 99 HA ARG 515 HA ARG 515 15.911 -8.067 5.528 100 HB2 ARG 515 HB2 ARG 515 15.351 -5.305 6.613 101 HB3 ARG 515 HB3 ARG 515 15.367 -6.758 7.604 102 HG2 ARG 515 HG2 ARG 515 17.688 -7.124 7.141 103 HG3 ARG 515 HG3 ARG 515 17.705 -5.807 5.968 104 HD2 ARG 515 HD2 ARG 515 17.009 -5.399 8.858 105 HD3 ARG 515 HD3 ARG 515 18.660 -5.302 8.260 106 HE ARG 515 HE ARG 515 17.745 -3.511 6.729 107 HH11 ARG 515 HH11 ARG 515 16.306 -4.170 9.856 108 HH12 ARG 515 HH12 ARG 515 15.812 -2.528 10.111 109 HH21 ARG 515 HH21 ARG 515 17.101 -1.352 7.073 110 HH22 ARG 515 HH22 ARG 515 16.240 -0.932 8.523 111 H LYS 516 HN LYS 516 13.495 -5.457 5.563 112 HA LYS 516 HA LYS 516 11.238 -5.450 5.775 113 HB2 LYS 516 HB2 LYS 516 11.348 -8.037 4.213 114 HB3 LYS 516 HB3 LYS 516 9.966 -6.962 4.365 115 HG2 LYS 516 HG2 LYS 516 12.559 -6.365 2.948 116 HG3 LYS 516 HG3 LYS 516 10.998 -6.698 2.201 117 HD2 LYS 516 HD2 LYS 516 10.082 -4.670 3.256 118 HD3 LYS 516 HD3 LYS 516 11.666 -4.339 3.955 119 HE2 LYS 516 HE2 LYS 516 12.596 -4.280 1.639 120 HE3 LYS 516 HE3 LYS 516 10.949 -4.422 1.032 121 HZ1 LYS 516 HZ1 LYS 516 11.791 -2.115 1.097 122 HZ2 LYS 516 HZ2 LYS 516 11.897 -2.220 2.785 123 HZ3 LYS 516 HZ3 LYS 516 10.391 -2.335 2.025 124 H GLY 517 HN GLY 517 11.622 -5.844 8.079 125 HA2 GLY 517 HA2 GLY 517 9.967 -8.025 8.982 126 HA3 GLY 517 HA3 GLY 517 11.653 -8.187 9.456 127 H ALA 518 HN ALA 518 12.609 -6.395 10.667 128 HA ALA 518 HA ALA 518 10.724 -5.171 12.511 129 HB1 ALA 518 HB1 ALA 518 12.820 -6.117 13.369 130 HB2 ALA 518 HB2 ALA 518 12.714 -4.387 13.696 131 HB3 ALA 518 HB3 ALA 518 13.736 -4.975 12.384 132 H GLY 519 HN GLY 519 10.032 -4.235 10.221 133 HA2 GLY 519 HA2 GLY 519 9.875 -1.682 9.862 134 HA3 GLY 519 HA3 GLY 519 11.596 -1.849 9.517 135 H ARG 520 HN ARG 520 8.449 -2.054 8.235 136 HA ARG 520 HA ARG 520 9.588 -3.134 5.739 137 HB2 ARG 520 HB2 ARG 520 6.785 -3.551 6.778 138 HB3 ARG 520 HB3 ARG 520 7.402 -4.123 5.237 139 HG2 ARG 520 HG2 ARG 520 8.690 -5.771 6.212 140 HG3 ARG 520 HG3 ARG 520 8.722 -4.957 7.781 141 HD2 ARG 520 HD2 ARG 520 6.347 -6.297 6.495 142 HD3 ARG 520 HD3 ARG 520 7.265 -6.890 7.881 143 HE ARG 520 HE ARG 520 5.563 -4.467 7.865 144 HH11 ARG 520 HH11 ARG 520 7.080 -7.144 9.565 145 HH12 ARG 520 HH12 ARG 520 6.465 -6.669 11.111 146 HH21 ARG 520 HH21 ARG 520 4.774 -3.840 9.894 147 HH22 ARG 520 HH22 ARG 520 5.138 -4.799 11.302 148 H VAL 521 HN VAL 521 9.375 -1.846 4.050 149 HA VAL 521 HA VAL 521 7.050 -0.051 3.991 150 HB VAL 521 HB VAL 521 9.647 0.373 2.517 151 HG11 VAL 521 HG11 VAL 521 7.798 1.108 1.168 152 HG12 VAL 521 HG12 VAL 521 8.626 2.513 1.837 153 HG13 VAL 521 HG13 VAL 521 7.104 1.968 2.537 154 HG21 VAL 521 HG21 VAL 521 8.383 1.838 4.813 155 HG22 VAL 521 HG22 VAL 521 9.791 2.401 3.915 156 HG23 VAL 521 HG23 VAL 521 9.879 0.906 4.847 157 H VAL 522 HN VAL 522 5.538 -0.634 2.653 158 HA VAL 522 HA VAL 522 6.260 -2.192 0.261 159 HB VAL 522 HB VAL 522 3.649 -2.365 1.778 160 HG11 VAL 522 HG11 VAL 522 3.437 -2.912 -0.580 161 HG12 VAL 522 HG12 VAL 522 3.260 -4.366 0.409 162 HG13 VAL 522 HG13 VAL 522 4.772 -4.060 -0.448 163 HG21 VAL 522 HG21 VAL 522 5.424 -3.260 3.163 164 HG22 VAL 522 HG22 VAL 522 5.996 -4.257 1.826 165 HG23 VAL 522 HG23 VAL 522 4.418 -4.572 2.549 166 H HIS 523 HN HIS 523 5.756 -1.125 -1.619 167 HA HIS 523 HA HIS 523 4.278 1.373 -1.283 168 HB2 HIS 523 HB2 HIS 523 6.569 1.684 -1.943 169 HB3 HIS 523 HB3 HIS 523 6.428 0.471 -3.205 170 HD1 HIS 523 HD1 HIS 523 5.901 1.297 -5.475 171 HD2 HIS 523 HD2 HIS 523 5.049 4.122 -2.545 172 HE1 HIS 523 HE1 HIS 523 5.320 3.401 -6.714 173 HE2 HIS 523 HE2 HIS 523 5.079 5.151 -4.922 174 H ILE 524 HN ILE 524 2.490 1.736 -2.378 175 HA ILE 524 HA ILE 524 1.689 -0.176 -4.471 176 HB ILE 524 HB ILE 524 -0.104 1.517 -2.716 177 HG12 ILE 524 HG12 ILE 524 0.628 -1.412 -2.558 178 HG13 ILE 524 HG13 ILE 524 0.993 -0.169 -1.372 179 HG21 ILE 524 HG21 ILE 524 -1.898 0.044 -3.611 180 HG22 ILE 524 HG22 ILE 524 -0.719 -0.642 -4.728 181 HG23 ILE 524 HG23 ILE 524 -1.143 1.065 -4.835 182 HD11 ILE 524 HD11 ILE 524 -0.832 -1.608 -0.661 183 HD12 ILE 524 HD12 ILE 524 -1.760 -1.139 -2.089 184 HD13 ILE 524 HD13 ILE 524 -1.361 0.064 -0.862 185 H CYS 525 HN CYS 525 0.928 0.704 -6.415 186 HA CYS 525 HA CYS 525 0.973 3.606 -6.650 187 HB2 CYS 525 HB2 CYS 525 2.454 3.199 -8.779 188 HB3 CYS 525 HB3 CYS 525 3.193 3.349 -7.188 189 HG CYS 525 HG CYS 525 2.625 0.229 -7.363 190 H ASN 526 HN ASN 526 0.345 4.358 -8.768 191 HA ASN 526 HA ASN 526 -0.797 4.349 -10.750 192 HB2 ASN 526 HB2 ASN 526 -1.318 1.423 -10.201 193 HB3 ASN 526 HB3 ASN 526 -1.967 2.286 -11.589 194 HD21 ASN 526 HD21 ASN 526 -0.252 0.019 -11.627 195 HD22 ASN 526 HD22 ASN 526 1.218 0.494 -12.407 196 H LEU 527 HN LEU 527 -1.675 4.917 -8.064 197 HA LEU 527 HA LEU 527 -4.510 4.279 -8.030 198 HB2 LEU 527 HB2 LEU 527 -2.733 5.895 -6.204 199 HB3 LEU 527 HB1 LEU 527 -4.462 5.756 -5.972 200 HG LEU 527 HG LEU 527 -2.587 3.390 -5.979 201 HD11 LEU 527 HD11 LEU 527 -2.828 3.430 -3.534 202 HD12 LEU 527 HD12 LEU 527 -3.701 4.959 -3.654 203 HD13 LEU 527 HD13 LEU 527 -2.009 4.869 -4.141 204 HD21 LEU 527 HD21 LEU 527 -5.430 3.720 -5.031 205 HD22 LEU 527 HD22 LEU 527 -4.465 2.247 -4.934 206 HD23 LEU 527 HD23 LEU 527 -4.927 2.897 -6.506 207 HA PRO 528 HA PRO 528 -5.205 7.933 -10.491 208 HB2 PRO 528 HB2 PRO 528 -8.049 7.627 -9.930 209 HB3 PRO 528 HB1 PRO 528 -7.192 7.446 -11.460 210 HG2 PRO 528 HG2 PRO 528 -8.289 5.356 -10.116 211 HG3 PRO 528 HG3 PRO 528 -6.872 5.201 -11.166 212 HD2 PRO 528 HD2 PRO 528 -7.021 5.322 -8.185 213 HD3 PRO 528 HD3 PRO 528 -5.954 4.358 -9.229 214 H GLU 529 HN GLU 529 -5.213 9.997 -9.955 215 HA GLU 529 HA GLU 529 -5.560 10.923 -7.317 216 HB2 GLU 529 HB2 GLU 529 -4.106 12.019 -8.941 217 HB3 GLU 529 HB3 GLU 529 -5.496 12.401 -9.948 218 HG2 GLU 529 HG2 GLU 529 -6.366 13.758 -8.009 219 HG3 GLU 529 HG3 GLU 529 -4.779 13.541 -7.267 220 H GLY 530 HN GLY 530 -7.351 11.751 -6.269 221 HA2 GLY 530 HA2 GLY 530 -9.551 12.518 -6.083 222 HA3 GLY 530 HA3 GLY 530 -9.763 12.279 -7.814 223 H SER 531 HN SER 531 -8.279 9.614 -6.497 224 HA SER 531 HA SER 531 -10.748 8.189 -5.912 225 HB2 SER 531 HB2 SER 531 -8.815 7.267 -8.050 226 HB3 SER 531 HB3 SER 531 -10.313 6.467 -7.569 227 HG SER 531 HG SER 531 -11.261 8.654 -8.180 228 H CYS 532 HN CYS 532 -7.822 9.013 -4.976 229 HA CYS 532 HA CYS 532 -6.830 6.392 -4.135 230 HB2 CYS 532 HB2 CYS 532 -5.646 9.129 -3.615 231 HB3 CYS 532 HB3 CYS 532 -4.854 7.582 -3.349 232 HG CYS 532 HG CYS 532 -5.841 8.158 -6.508 233 H THR 533 HN THR 533 -8.426 5.846 -2.580 234 HA THR 533 HA THR 533 -8.720 7.757 -0.367 235 HB THR 533 HB THR 533 -10.652 6.499 0.334 236 HG1 THR 533 HG1 THR 533 -10.826 4.681 -1.674 237 HG21 THR 533 HG21 THR 533 -11.042 8.061 -1.509 238 HG22 THR 533 HG22 THR 533 -12.099 6.656 -1.648 239 HG23 THR 533 HG23 THR 533 -10.671 6.792 -2.676 240 H GLU 534 HN GLU 534 -8.379 7.030 1.797 241 HA GLU 534 HA GLU 534 -6.175 5.282 2.103 242 HB2 GLU 534 HB2 GLU 534 -8.080 6.255 4.239 243 HB3 GLU 534 HB3 GLU 534 -6.464 5.616 4.484 244 HG2 GLU 534 HG2 GLU 534 -5.508 7.530 3.253 245 HG3 GLU 534 HG3 GLU 534 -7.141 8.159 3.015 246 H ASN 535 HN ASN 535 -9.601 4.977 2.323 247 HA ASN 535 HA ASN 535 -9.711 2.479 3.624 248 HB2 ASN 535 HB2 ASN 535 -11.668 4.004 1.934 249 HB3 ASN 535 HB3 ASN 535 -12.031 2.368 2.471 250 HD21 ASN 535 HD21 ASN 535 -13.747 3.087 3.723 251 HD22 ASN 535 HD22 ASN 535 -13.500 3.914 5.219 252 H ASP 536 HN ASP 536 -9.589 3.295 0.124 253 HA ASP 536 HA ASP 536 -10.194 0.607 -0.666 254 HB2 ASP 536 HB2 ASP 536 -9.197 3.028 -2.140 255 HB3 ASP 536 HB3 ASP 536 -9.227 1.452 -2.925 256 H VAL 537 HN VAL 537 -7.286 2.500 -0.453 257 HA VAL 537 HA VAL 537 -5.467 0.630 -1.514 258 HB VAL 537 HB VAL 537 -4.872 2.710 0.614 259 HG11 VAL 537 HG11 VAL 537 -3.065 1.073 0.239 260 HG12 VAL 537 HG12 VAL 537 -2.621 2.702 -0.277 261 HG13 VAL 537 HG13 VAL 537 -3.072 1.491 -1.476 262 HG21 VAL 537 HG21 VAL 537 -5.999 3.766 -1.227 263 HG22 VAL 537 HG22 VAL 537 -4.969 2.932 -2.391 264 HG23 VAL 537 HG23 VAL 537 -4.280 4.151 -1.323 265 H ILE 538 HN ILE 538 -6.400 1.296 1.823 266 HA ILE 538 HA ILE 538 -4.946 -0.846 2.954 267 HB ILE 538 HB ILE 538 -7.288 0.720 4.022 268 HG12 ILE 538 HG12 ILE 538 -4.327 0.854 4.621 269 HG13 ILE 538 HG13 ILE 538 -5.225 2.007 3.638 270 HG21 ILE 538 HG21 ILE 538 -6.440 -0.205 6.231 271 HG22 ILE 538 HG22 ILE 538 -5.580 -1.409 5.268 272 HG23 ILE 538 HG23 ILE 538 -7.338 -1.314 5.197 273 HD11 ILE 538 HD11 ILE 538 -6.533 2.678 5.538 274 HD12 ILE 538 HD12 ILE 538 -4.815 2.796 5.927 275 HD13 ILE 538 HD13 ILE 538 -5.768 1.443 6.540 276 H ASN 539 HN ASN 539 -8.232 -0.583 1.662 277 HA ASN 539 HA ASN 539 -9.215 -3.037 2.537 278 HB2 ASN 539 HB2 ASN 539 -9.817 -1.527 -0.007 279 HB3 ASN 539 HB3 ASN 539 -10.616 -3.036 0.409 280 HD21 ASN 539 HD21 ASN 539 -10.609 -2.278 3.293 281 HD22 ASN 539 HD22 ASN 539 -11.880 -1.137 3.447 282 H LEU 540 HN LEU 540 -6.925 -2.305 0.014 283 HA LEU 540 HA LEU 540 -6.937 -4.945 -1.085 284 HB2 LEU 540 HB2 LEU 540 -4.815 -2.797 -1.127 285 HB3 LEU 540 HB1 LEU 540 -4.789 -4.259 -2.092 286 HG LEU 540 HG LEU 540 -6.785 -2.012 -2.312 287 HD11 LEU 540 HD11 LEU 540 -4.576 -1.482 -3.195 288 HD12 LEU 540 HD12 LEU 540 -5.764 -1.643 -4.486 289 HD13 LEU 540 HD13 LEU 540 -4.615 -2.944 -4.180 290 HD21 LEU 540 HD21 LEU 540 -7.879 -4.114 -2.770 291 HD22 LEU 540 HD22 LEU 540 -6.567 -4.597 -3.844 292 HD23 LEU 540 HD23 LEU 540 -7.612 -3.246 -4.281 293 H GLY 541 HN GLY 541 -4.985 -3.194 1.311 294 HA2 GLY 541 HA2 GLY 541 -3.191 -5.268 1.887 295 HA3 GLY 541 HA3 GLY 541 -3.581 -3.922 2.948 296 H LEU 542 HN LEU 542 -6.164 -4.424 3.664 297 HA LEU 542 HA LEU 542 -5.581 -5.951 5.899 298 HB2 LEU 542 HB2 LEU 542 -8.133 -4.886 4.802 299 HB3 LEU 542 HB1 LEU 542 -8.129 -5.864 6.257 300 HG LEU 542 HG LEU 542 -6.494 -3.353 5.931 301 HD11 LEU 542 HD11 LEU 542 -8.840 -2.787 5.782 302 HD12 LEU 542 HD12 LEU 542 -8.201 -2.295 7.350 303 HD13 LEU 542 HD13 LEU 542 -9.189 -3.749 7.216 304 HD21 LEU 542 HD21 LEU 542 -5.666 -4.943 7.592 305 HD22 LEU 542 HD22 LEU 542 -7.256 -4.987 8.350 306 HD23 LEU 542 HD23 LEU 542 -6.314 -3.497 8.361 307 HA PRO 543 HA PRO 543 -8.463 -9.511 4.212 308 HB2 PRO 543 HB2 PRO 543 -7.749 -9.298 1.324 309 HB3 PRO 543 HB1 PRO 543 -9.285 -9.756 2.074 310 HG2 PRO 543 HG2 PRO 543 -9.048 -7.358 1.013 311 HG3 PRO 543 HG3 PRO 543 -9.824 -7.527 2.606 312 HD2 PRO 543 HD2 PRO 543 -6.999 -6.707 1.960 313 HD3 PRO 543 HD3 PRO 543 -8.157 -5.944 3.071 314 H PHE 544 HN PHE 544 -5.301 -8.700 2.814 315 HA PHE 544 HA PHE 544 -4.527 -11.517 2.998 316 HB2 PHE 544 HB2 PHE 544 -3.069 -9.134 1.849 317 HB3 PHE 544 HB3 PHE 544 -2.444 -10.777 1.862 318 HD1 PHE 544 HD1 PHE 544 -3.580 -12.519 0.519 319 HD2 PHE 544 HD2 PHE 544 -4.602 -8.404 0.231 320 HE1 PHE 544 HE1 PHE 544 -4.672 -12.948 -1.644 321 HE2 PHE 544 HE2 PHE 544 -5.701 -8.822 -1.927 322 HZ PHE 544 HZ PHE 544 -5.732 -11.096 -2.872 323 H GLY 545 HN GLY 545 -4.252 -8.573 4.738 324 HA2 GLY 545 HA2 GLY 545 -2.988 -9.824 6.933 325 HA3 GLY 545 HA3 GLY 545 -1.795 -8.909 6.025 326 H LYS 546 HN LYS 546 -2.737 -8.456 8.737 327 HA LYS 546 HA LYS 546 -4.577 -6.315 8.813 328 HB2 LYS 546 HB2 LYS 546 -4.018 -7.745 10.756 329 HB3 LYS 546 HB3 LYS 546 -2.421 -7.017 10.812 330 HG2 LYS 546 HG2 LYS 546 -3.499 -4.814 11.198 331 HG3 LYS 546 HG3 LYS 546 -5.054 -5.641 11.288 332 HD2 LYS 546 HD2 LYS 546 -2.684 -6.153 13.083 333 HD3 LYS 546 HD3 LYS 546 -4.113 -5.214 13.513 334 HE2 LYS 546 HE2 LYS 546 -5.509 -7.189 13.251 335 HE3 LYS 546 HE3 LYS 546 -4.107 -8.133 12.750 336 HZ1 LYS 546 HZ1 LYS 546 -4.479 -6.867 15.411 337 HZ2 LYS 546 HZ2 LYS 546 -3.129 -7.764 14.932 338 HZ3 LYS 546 HZ3 LYS 546 -4.638 -8.513 15.069 339 H VAL 547 HN VAL 547 -4.332 -4.228 8.429 340 HA VAL 547 HA VAL 547 -1.740 -3.228 7.586 341 HB VAL 547 HB VAL 547 -4.523 -2.071 7.403 342 HG11 VAL 547 HG11 VAL 547 -3.628 -0.268 6.100 343 HG12 VAL 547 HG12 VAL 547 -1.996 -0.933 6.214 344 HG13 VAL 547 HG13 VAL 547 -2.795 -0.299 7.655 345 HG21 VAL 547 HG21 VAL 547 -2.650 -3.304 5.400 346 HG22 VAL 547 HG22 VAL 547 -4.094 -2.403 4.955 347 HG23 VAL 547 HG23 VAL 547 -4.239 -3.883 5.899 348 H THR 548 HN THR 548 -0.463 -2.293 9.017 349 HA THR 548 HA THR 548 -1.599 -1.151 11.441 350 HB THR 548 HB THR 548 0.836 -0.985 12.116 351 HG1 THR 548 HG1 THR 548 1.898 -2.733 10.495 352 HG21 THR 548 HG21 THR 548 -0.213 -3.707 11.331 353 HG22 THR 548 HG22 THR 548 -0.569 -2.852 12.830 354 HG23 THR 548 HG23 THR 548 1.073 -3.399 12.498 355 H ASN 549 HN ASN 549 0.185 -0.176 8.592 356 HA ASN 549 HA ASN 549 -0.316 2.630 9.260 357 HB2 ASN 549 HB2 ASN 549 2.416 1.567 8.496 358 HB3 ASN 549 HB3 ASN 549 2.000 3.269 8.638 359 HD21 ASN 549 HD21 ASN 549 1.773 4.171 10.663 360 HD22 ASN 549 HD22 ASN 549 2.291 3.371 12.102 361 H TYR 550 HN TYR 550 -0.135 4.058 7.431 362 HA TYR 550 HA TYR 550 0.128 2.973 4.785 363 HB2 TYR 550 HB2 TYR 550 -2.204 3.491 4.116 364 HB3 TYR 550 HB3 TYR 550 -2.126 2.199 5.312 365 HD1 TYR 550 HD1 TYR 550 -3.791 5.096 4.409 366 HD2 TYR 550 HD2 TYR 550 -2.303 3.101 7.849 367 HE1 TYR 550 HE1 TYR 550 -5.338 6.374 5.835 368 HE2 TYR 550 HE2 TYR 550 -3.860 4.366 9.271 369 HH TYR 550 HH TYR 550 -6.369 6.338 7.889 370 H ILE 551 HN ILE 551 0.071 4.650 3.151 371 HA ILE 551 HA ILE 551 -0.016 7.417 4.091 372 HB ILE 551 HB ILE 551 2.368 6.248 2.642 373 HG12 ILE 551 HG12 ILE 551 2.230 7.310 5.474 374 HG13 ILE 551 HG13 ILE 551 2.282 5.603 5.048 375 HG21 ILE 551 HG21 ILE 551 1.870 9.037 3.666 376 HG22 ILE 551 HG22 ILE 551 1.919 8.529 1.978 377 HG23 ILE 551 HG23 ILE 551 3.381 8.461 2.962 378 HD11 ILE 551 HD11 ILE 551 4.459 6.394 5.742 379 HD12 ILE 551 HD12 ILE 551 4.427 7.636 4.491 380 HD13 ILE 551 HD13 ILE 551 4.482 5.932 4.040 381 H LEU 552 HN LEU 552 -0.985 8.656 2.471 382 HA LEU 552 HA LEU 552 -1.236 7.306 -0.122 383 HB2 LEU 552 HB2 LEU 552 -3.095 9.224 1.256 384 HB3 LEU 552 HB1 LEU 552 -3.231 8.823 -0.445 385 HG LEU 552 HG LEU 552 -3.641 7.032 1.929 386 HD11 LEU 552 HD11 LEU 552 -5.375 7.776 -0.412 387 HD12 LEU 552 HD12 LEU 552 -5.477 8.482 1.200 388 HD13 LEU 552 HD13 LEU 552 -5.839 6.773 0.958 389 HD21 LEU 552 HD21 LEU 552 -3.461 6.243 -0.979 390 HD22 LEU 552 HD22 LEU 552 -4.013 5.206 0.337 391 HD23 LEU 552 HD23 LEU 552 -2.342 5.768 0.299 392 H MET 553 HN MET 553 -0.269 8.208 -1.812 393 HA MET 553 HA MET 553 0.596 11.025 -1.518 394 HB2 MET 553 HB2 MET 553 1.795 8.952 -3.370 395 HB3 MET 553 HB3 MET 553 2.447 10.537 -2.979 396 HG2 MET 553 HG2 MET 553 3.355 9.838 -1.036 397 HG3 MET 553 HG3 MET 553 2.059 8.687 -0.716 398 HE1 MET 553 HE1 MET 553 5.516 7.861 -3.672 399 HE2 MET 553 HE2 MET 553 5.394 9.339 -2.719 400 HE3 MET 553 HE3 MET 553 4.224 9.016 -3.997 401 H LYS 554 HN LYS 554 -1.707 11.332 -2.243 402 HA LYS 554 HA LYS 554 -2.700 10.934 -4.695 403 HB2 LYS 554 HB2 LYS 554 -2.892 13.713 -3.624 404 HB3 LYS 554 HB3 LYS 554 -4.135 12.709 -4.355 405 HG2 LYS 554 HG2 LYS 554 -2.967 12.353 -1.606 406 HG3 LYS 554 HG3 LYS 554 -4.533 13.055 -1.986 407 HD2 LYS 554 HD2 LYS 554 -5.166 10.875 -3.031 408 HD3 LYS 554 HD3 LYS 554 -3.651 10.200 -2.408 409 HE2 LYS 554 HE2 LYS 554 -5.444 9.680 -0.881 410 HE3 LYS 554 HE3 LYS 554 -4.347 10.834 -0.127 411 HZ1 LYS 554 HZ1 LYS 554 -6.554 11.527 0.330 412 HZ2 LYS 554 HZ2 LYS 554 -7.022 11.382 -1.286 413 HZ3 LYS 554 HZ3 LYS 554 -5.949 12.603 -0.827 414 H SER 555 HN SER 555 0.073 12.932 -4.037 415 HA SER 555 HA SER 555 -0.252 14.683 -6.251 416 HB2 SER 555 HB2 SER 555 2.089 15.335 -5.682 417 HB3 SER 555 HB3 SER 555 0.997 15.385 -4.298 418 HG SER 555 HG SER 555 2.990 14.349 -3.809 419 H THR 556 HN THR 556 1.647 11.756 -5.626 420 HA THR 556 HA THR 556 2.653 11.817 -8.369 421 HB THR 556 HB THR 556 4.190 10.018 -7.579 422 HG1 THR 556 HG1 THR 556 3.644 10.553 -4.923 423 HG21 THR 556 HG21 THR 556 5.575 11.449 -6.173 424 HG22 THR 556 HG22 THR 556 4.197 12.504 -5.863 425 HG23 THR 556 HG23 THR 556 4.869 12.386 -7.490 426 H ASN 557 HN ASN 557 -0.022 10.670 -6.988 427 HA ASN 557 HA ASN 557 -1.503 8.987 -7.336 428 HB2 ASN 557 HB2 ASN 557 0.124 8.529 -9.851 429 HB3 ASN 557 HB3 ASN 557 -1.440 7.796 -9.514 430 HD21 ASN 557 HD21 ASN 557 -0.683 9.483 -11.705 431 HD22 ASN 557 HD22 ASN 557 -1.721 10.861 -11.655 432 H GLN 558 HN GLN 558 0.469 8.471 -5.590 433 HA GLN 558 HA GLN 558 0.962 5.594 -5.907 434 HB2 GLN 558 HB2 GLN 558 3.015 7.645 -5.052 435 HB3 GLN 558 HB3 GLN 558 3.226 5.907 -4.896 436 HG2 GLN 558 HG2 GLN 558 3.128 5.663 -7.311 437 HG3 GLN 558 HG3 GLN 558 2.856 7.398 -7.484 438 HE21 GLN 558 HE21 GLN 558 4.726 7.621 -8.731 439 HE22 GLN 558 HE22 GLN 558 6.301 7.562 -8.025 440 H ALA 559 HN ALA 559 1.576 4.596 -3.721 441 HA ALA 559 HA ALA 559 1.010 6.180 -1.391 442 HB1 ALA 559 HB1 ALA 559 -1.247 5.708 -2.099 443 HB2 ALA 559 HB2 ALA 559 -0.874 4.799 -0.625 444 HB3 ALA 559 HB3 ALA 559 -0.883 3.981 -2.196 445 H PHE 560 HN PHE 560 1.251 4.912 0.601 446 HA PHE 560 HA PHE 560 2.913 2.494 0.215 447 HB2 PHE 560 HB2 PHE 560 3.128 4.601 2.366 448 HB3 PHE 560 HB3 PHE 560 3.972 3.064 2.420 449 HD1 PHE 560 HD1 PHE 560 5.587 2.527 0.540 450 HD2 PHE 560 HD2 PHE 560 4.047 6.430 1.250 451 HE1 PHE 560 HE1 PHE 560 7.459 3.493 -0.728 452 HE2 PHE 560 HE2 PHE 560 5.915 7.401 -0.020 453 HZ PHE 560 HZ PHE 560 7.624 5.932 -1.010 454 H LEU 561 HN LEU 561 2.656 0.771 1.610 455 HA LEU 561 HA LEU 561 0.356 0.852 3.437 456 HB2 LEU 561 HB2 LEU 561 -0.377 -0.011 1.244 457 HB3 LEU 561 HB1 LEU 561 0.864 -1.242 1.317 458 HG LEU 561 HG LEU 561 -0.270 -2.190 3.327 459 HD11 LEU 561 HD11 LEU 561 -2.408 -0.188 2.610 460 HD12 LEU 561 HD12 LEU 561 -1.427 -0.187 4.076 461 HD13 LEU 561 HD13 LEU 561 -2.576 -1.494 3.783 462 HD21 LEU 561 HD21 LEU 561 -1.976 -3.313 2.081 463 HD22 LEU 561 HD22 LEU 561 -0.630 -3.006 0.981 464 HD23 LEU 561 HD23 LEU 561 -2.075 -1.993 0.917 465 H GLU 562 HN GLU 562 1.062 0.223 5.357 466 HA GLU 562 HA GLU 562 3.259 -1.721 5.533 467 HB2 GLU 562 HB2 GLU 562 2.824 0.639 6.903 468 HB3 GLU 562 HB3 GLU 562 2.344 -0.592 8.059 469 HG2 GLU 562 HG2 GLU 562 4.992 -0.526 6.631 470 HG3 GLU 562 HG3 GLU 562 4.710 0.092 8.256 471 H MET 563 HN MET 563 3.067 -3.622 6.580 472 HA MET 563 HA MET 563 0.305 -4.455 7.178 473 HB2 MET 563 HB2 MET 563 2.430 -6.117 5.810 474 HB3 MET 563 HB3 MET 563 0.735 -6.539 6.034 475 HG2 MET 563 HG2 MET 563 0.013 -4.953 4.469 476 HG3 MET 563 HG3 MET 563 1.556 -4.107 4.490 477 HE1 MET 563 HE1 MET 563 1.428 -5.395 0.821 478 HE2 MET 563 HE2 MET 563 1.737 -4.005 1.861 479 HE3 MET 563 HE3 MET 563 0.126 -4.721 1.801 480 H ALA 564 HN ALA 564 0.287 -6.530 8.563 481 HA ALA 564 HA ALA 564 1.681 -5.905 10.919 482 HB1 ALA 564 HB1 ALA 564 0.319 -8.499 10.223 483 HB2 ALA 564 HB2 ALA 564 -0.469 -7.073 10.895 484 HB3 ALA 564 HB3 ALA 564 0.742 -7.938 11.839 485 H TYR 565 HN TYR 565 2.274 -8.378 8.463 486 HA TYR 565 HA TYR 565 4.959 -8.752 9.581 487 HB2 TYR 565 HB2 TYR 565 3.187 -11.027 8.676 488 HB3 TYR 565 HB3 TYR 565 4.815 -11.163 9.328 489 HD1 TYR 565 HD1 TYR 565 1.325 -11.016 10.081 490 HD2 TYR 565 HD2 TYR 565 5.194 -10.493 11.759 491 HE1 TYR 565 HE1 TYR 565 0.368 -11.241 12.331 492 HE2 TYR 565 HE2 TYR 565 4.249 -10.717 14.021 493 HH TYR 565 HH TYR 565 1.070 -11.837 14.579 494 H THR 566 HN THR 566 6.469 -9.685 8.058 495 HA THR 566 HA THR 566 6.276 -8.477 5.499 496 HB THR 566 HB THR 566 8.454 -8.850 6.616 497 HG1 THR 566 HG1 THR 566 8.849 -10.273 4.289 498 HG21 THR 566 HG21 THR 566 7.990 -11.746 5.890 499 HG22 THR 566 HG22 THR 566 8.126 -11.076 7.517 500 HG23 THR 566 HG23 THR 566 9.523 -11.070 6.442 501 H GLU 567 HN GLU 567 5.491 -11.641 6.700 502 HA GLU 567 HA GLU 567 5.356 -13.109 4.341 503 HB2 GLU 567 HB2 GLU 567 3.607 -14.454 5.504 504 HB3 GLU 567 HB3 GLU 567 5.065 -14.209 6.452 505 HG2 GLU 567 HG2 GLU 567 4.006 -12.613 7.836 506 HG3 GLU 567 HG3 GLU 567 2.604 -12.516 6.773 507 H ALA 568 HN ALA 568 3.259 -10.634 5.589 508 HA ALA 568 HA ALA 568 1.048 -11.216 3.852 509 HB1 ALA 568 HB1 ALA 568 0.724 -10.075 5.999 510 HB2 ALA 568 HB2 ALA 568 0.119 -9.117 4.650 511 HB3 ALA 568 HB3 ALA 568 1.657 -8.703 5.406 512 H ALA 569 HN ALA 569 3.802 -9.010 3.855 513 HA ALA 569 HA ALA 569 2.976 -7.409 1.690 514 HB1 ALA 569 HB1 ALA 569 5.277 -6.612 1.659 515 HB2 ALA 569 HB2 ALA 569 5.767 -7.951 2.697 516 HB3 ALA 569 HB3 ALA 569 4.674 -6.712 3.313 517 H GLN 570 HN GLN 570 5.105 -10.237 1.888 518 HA GLN 570 HA GLN 570 5.813 -10.235 -0.848 519 HB2 GLN 570 HB2 GLN 570 6.584 -12.559 -0.425 520 HB3 GLN 570 HB3 GLN 570 7.182 -11.406 0.761 521 HG2 GLN 570 HG2 GLN 570 5.584 -12.147 2.379 522 HG3 GLN 570 HG3 GLN 570 4.794 -13.175 1.193 523 HE21 GLN 570 HE21 GLN 570 8.284 -12.835 1.627 524 HE22 GLN 570 HE22 GLN 570 8.545 -14.458 2.161 525 H ALA 571 HN ALA 571 3.190 -11.666 0.970 526 HA ALA 571 HA ALA 571 2.212 -13.366 -1.069 527 HB1 ALA 571 HB1 ALA 571 1.638 -13.678 1.282 528 HB2 ALA 571 HB2 ALA 571 0.189 -13.503 0.292 529 HB3 ALA 571 HB3 ALA 571 0.755 -12.153 1.274 530 H MET 572 HN MET 572 1.390 -10.054 -0.081 531 HA MET 572 HA MET 572 -0.763 -9.781 -1.908 532 HB2 MET 572 HB2 MET 572 0.901 -7.568 -0.696 533 HB3 MET 572 HB3 MET 572 -0.696 -7.404 -1.412 534 HG2 MET 572 HG2 MET 572 -1.467 -9.056 0.370 535 HG3 MET 572 HG3 MET 572 0.078 -8.734 1.153 536 HE1 MET 572 HE1 MET 572 -1.940 -8.261 3.086 537 HE2 MET 572 HE2 MET 572 -1.829 -6.569 3.567 538 HE3 MET 572 HE3 MET 572 -0.360 -7.509 3.303 539 H VAL 573 HN VAL 573 2.674 -8.883 -2.087 540 HA VAL 573 HA VAL 573 2.566 -7.533 -4.534 541 HB VAL 573 HB VAL 573 4.823 -9.183 -3.371 542 HG11 VAL 573 HG11 VAL 573 6.298 -7.965 -4.901 543 HG12 VAL 573 HG12 VAL 573 4.896 -7.183 -5.632 544 HG13 VAL 573 HG13 VAL 573 5.113 -8.926 -5.786 545 HG21 VAL 573 HG21 VAL 573 5.738 -7.002 -2.711 546 HG22 VAL 573 HG22 VAL 573 4.165 -7.307 -1.970 547 HG23 VAL 573 HG23 VAL 573 4.295 -6.213 -3.347 548 H GLN 574 HN GLN 574 3.127 -10.979 -3.845 549 HA GLN 574 HA GLN 574 3.417 -11.810 -6.509 550 HB2 GLN 574 HB2 GLN 574 2.435 -13.305 -4.077 551 HB3 GLN 574 HB3 GLN 574 2.755 -14.072 -5.627 552 HG2 GLN 574 HG2 GLN 574 4.764 -12.608 -3.929 553 HG3 GLN 574 HG3 GLN 574 4.615 -14.356 -4.095 554 HE21 GLN 574 HE21 GLN 574 6.855 -12.562 -4.706 555 HE22 GLN 574 HE22 GLN 574 7.234 -12.831 -6.363 556 H TYR 575 HN TYR 575 0.563 -11.313 -4.529 557 HA TYR 575 HA TYR 575 -1.250 -12.621 -6.304 558 HB2 TYR 575 HB2 TYR 575 -1.824 -12.304 -3.949 559 HB3 TYR 575 HB3 TYR 575 -1.788 -10.557 -4.152 560 HD1 TYR 575 HD1 TYR 575 -3.647 -9.387 -5.059 561 HD2 TYR 575 HD2 TYR 575 -3.626 -13.640 -5.025 562 HE1 TYR 575 HE1 TYR 575 -6.032 -9.400 -5.650 563 HE2 TYR 575 HE2 TYR 575 -6.011 -13.664 -5.613 564 HH TYR 575 HH TYR 575 -7.953 -12.223 -5.481 565 H TYR 576 HN TYR 576 -0.588 -9.182 -5.659 566 HA TYR 576 HA TYR 576 -2.348 -8.301 -7.704 567 HB2 TYR 576 HB2 TYR 576 -0.280 -6.826 -6.084 568 HB3 TYR 576 HB3 TYR 576 -1.371 -6.040 -7.222 569 HD1 TYR 576 HD1 TYR 576 -3.814 -6.026 -6.787 570 HD2 TYR 576 HD2 TYR 576 -1.058 -7.574 -3.946 571 HE1 TYR 576 HE1 TYR 576 -5.553 -5.938 -5.053 572 HE2 TYR 576 HE2 TYR 576 -2.787 -7.483 -2.203 573 HH TYR 576 HH TYR 576 -4.858 -6.451 -1.700 574 H GLN 577 HN GLN 577 0.859 -9.390 -7.867 575 HA GLN 577 HA GLN 577 1.579 -7.971 -10.256 576 HB2 GLN 577 HB2 GLN 577 2.618 -10.516 -9.028 577 HB3 GLN 577 HB3 GLN 577 3.203 -9.922 -10.575 578 HG2 GLN 577 HG2 GLN 577 3.890 -7.826 -9.468 579 HG3 GLN 577 HG3 GLN 577 3.387 -8.512 -7.924 580 HE21 GLN 577 HE21 GLN 577 4.307 -11.199 -8.691 581 HE22 GLN 577 HE22 GLN 577 6.029 -11.157 -8.568 582 H GLU 578 HN GLU 578 0.099 -11.099 -9.555 583 HA GLU 578 HA GLU 578 -0.235 -11.654 -12.383 584 HB2 GLU 578 HB2 GLU 578 -1.170 -13.233 -9.981 585 HB3 GLU 578 HB3 GLU 578 -1.168 -13.790 -11.649 586 HG2 GLU 578 HG2 GLU 578 1.258 -13.108 -10.000 587 HG3 GLU 578 HG3 GLU 578 0.699 -14.726 -10.418 588 H LYS 579 HN LYS 579 -2.280 -10.855 -9.579 589 HA LYS 579 HA LYS 579 -4.402 -10.147 -11.484 590 HB2 LYS 579 HB2 LYS 579 -4.688 -11.425 -8.761 591 HB3 LYS 579 HB3 LYS 579 -6.024 -10.731 -9.666 592 HG2 LYS 579 HG2 LYS 579 -5.648 -12.350 -11.460 593 HG3 LYS 579 HG3 LYS 579 -4.321 -13.055 -10.533 594 HD2 LYS 579 HD2 LYS 579 -6.371 -14.353 -10.261 595 HD3 LYS 579 HD3 LYS 579 -5.874 -13.622 -8.735 596 HE2 LYS 579 HE2 LYS 579 -7.516 -11.835 -9.057 597 HE3 LYS 579 HE3 LYS 579 -8.004 -12.552 -10.590 598 HZ1 LYS 579 HZ1 LYS 579 -8.762 -14.504 -9.413 599 HZ2 LYS 579 HZ2 LYS 579 -9.507 -13.128 -8.768 600 HZ3 LYS 579 HZ3 LYS 579 -8.234 -13.867 -7.937 601 HA PRO 580 HA PRO 580 -3.252 -6.388 -9.111 602 HB2 PRO 580 HB2 PRO 580 -3.797 -4.663 -11.130 603 HB3 PRO 580 HB1 PRO 580 -2.256 -5.507 -10.979 604 HG2 PRO 580 HG2 PRO 580 -4.595 -6.138 -12.720 605 HG3 PRO 580 HG3 PRO 580 -2.866 -6.198 -13.103 606 HD2 PRO 580 HD2 PRO 580 -4.328 -8.409 -12.504 607 HD3 PRO 580 HD3 PRO 580 -2.596 -8.266 -12.140 608 H ALA 581 HN ALA 581 -4.538 -4.574 -8.445 609 HA ALA 581 HA ALA 581 -7.400 -5.153 -8.511 610 HB1 ALA 581 HB1 ALA 581 -5.800 -3.181 -6.878 611 HB2 ALA 581 HB2 ALA 581 -6.450 -4.724 -6.326 612 HB3 ALA 581 HB3 ALA 581 -7.545 -3.412 -6.756 613 H ILE 582 HN ILE 582 -8.872 -3.812 -9.473 614 HA ILE 582 HA ILE 582 -7.700 -1.753 -11.207 615 HB ILE 582 HB ILE 582 -10.371 -3.140 -11.482 616 HG12 ILE 582 HG12 ILE 582 -7.780 -3.574 -12.989 617 HG13 ILE 582 HG13 ILE 582 -8.500 -4.695 -11.838 618 HG21 ILE 582 HG21 ILE 582 -10.448 -2.133 -13.688 619 HG22 ILE 582 HG22 ILE 582 -8.891 -1.354 -13.408 620 HG23 ILE 582 HG23 ILE 582 -10.296 -0.887 -12.450 621 HD11 ILE 582 HD11 ILE 582 -9.714 -3.845 -14.459 622 HD12 ILE 582 HD12 ILE 582 -10.417 -4.985 -13.311 623 HD13 ILE 582 HD13 ILE 582 -8.911 -5.381 -14.136 624 H ILE 583 HN ILE 583 -8.056 0.298 -10.738 625 HA ILE 583 HA ILE 583 -10.608 1.028 -9.451 626 HB ILE 583 HB ILE 583 -7.902 2.308 -8.998 627 HG12 ILE 583 HG12 ILE 583 -8.393 0.236 -7.679 628 HG13 ILE 583 HG13 ILE 583 -8.160 1.670 -6.686 629 HG21 ILE 583 HG21 ILE 583 -10.604 3.183 -7.992 630 HG22 ILE 583 HG22 ILE 583 -9.647 3.994 -9.230 631 HG23 ILE 583 HG23 ILE 583 -9.053 3.914 -7.568 632 HD11 ILE 583 HD11 ILE 583 -10.598 1.884 -6.469 633 HD12 ILE 583 HD12 ILE 583 -9.985 0.356 -5.833 634 HD13 ILE 583 HD13 ILE 583 -10.792 0.398 -7.401 635 H ASN 584 HN ASN 584 -11.788 1.963 -11.000 636 HA ASN 584 HA ASN 584 -12.425 3.229 -12.761 637 HB2 ASN 584 HB2 ASN 584 -10.080 4.894 -11.840 638 HB3 ASN 584 HB3 ASN 584 -11.168 5.393 -13.132 639 HD21 ASN 584 HD21 ASN 584 -10.677 6.667 -10.587 640 HD22 ASN 584 HD22 ASN 584 -12.200 6.727 -9.771 641 H GLY 585 HN GLY 585 -10.732 1.002 -13.208 642 HA2 GLY 585 HA2 GLY 585 -10.047 0.037 -15.191 643 HA3 GLY 585 HA3 GLY 585 -10.003 1.624 -15.935 644 H GLU 586 HN GLU 586 -8.308 1.753 -13.058 645 HA GLU 586 HA GLU 586 -5.771 1.416 -14.499 646 HB2 GLU 586 HB2 GLU 586 -6.380 2.746 -11.847 647 HB3 GLU 586 HB3 GLU 586 -4.788 2.658 -12.588 648 HG2 GLU 586 HG2 GLU 586 -7.176 4.029 -13.800 649 HG3 GLU 586 HG3 GLU 586 -5.894 4.834 -12.898 650 H LYS 587 HN LYS 587 -4.675 -0.407 -14.209 651 HA LYS 587 HA LYS 587 -5.149 -2.212 -12.057 652 HB2 LYS 587 HB2 LYS 587 -2.862 -2.108 -14.030 653 HB3 LYS 587 HB3 LYS 587 -3.233 -3.462 -12.976 654 HG2 LYS 587 HG2 LYS 587 -5.385 -3.749 -14.111 655 HG3 LYS 587 HG3 LYS 587 -4.990 -2.401 -15.180 656 HD2 LYS 587 HD2 LYS 587 -3.033 -3.626 -15.995 657 HD3 LYS 587 HD3 LYS 587 -3.434 -4.976 -14.932 658 HE2 LYS 587 HE2 LYS 587 -5.123 -3.927 -17.202 659 HE3 LYS 587 HE3 LYS 587 -4.168 -5.408 -17.216 660 HZ1 LYS 587 HZ1 LYS 587 -5.566 -6.216 -15.364 661 HZ2 LYS 587 HZ2 LYS 587 -6.438 -5.951 -16.785 662 HZ3 LYS 587 HZ3 LYS 587 -6.535 -4.838 -15.519 663 H LEU 588 HN LEU 588 -4.422 -2.042 -10.047 664 HA LEU 588 HA LEU 588 -2.374 -0.124 -9.385 665 HB2 LEU 588 HB2 LEU 588 -3.818 -2.051 -7.570 666 HB3 LEU 588 HB1 LEU 588 -2.943 -0.608 -7.094 667 HG LEU 588 HG LEU 588 -5.522 -0.700 -8.657 668 HD11 LEU 588 HD11 LEU 588 -5.907 -1.184 -6.359 669 HD12 LEU 588 HD12 LEU 588 -6.399 0.482 -6.656 670 HD13 LEU 588 HD13 LEU 588 -4.868 0.144 -5.848 671 HD21 LEU 588 HD21 LEU 588 -5.491 1.749 -8.447 672 HD22 LEU 588 HD22 LEU 588 -4.169 1.136 -9.439 673 HD23 LEU 588 HD23 LEU 588 -3.860 1.654 -7.782 674 H LEU 589 HN LEU 589 -0.364 -0.525 -8.638 675 HA LEU 589 HA LEU 589 0.560 -3.321 -8.776 676 HB2 LEU 589 HB2 LEU 589 1.513 -1.957 -10.549 677 HB3 LEU 589 HB1 LEU 589 2.071 -0.777 -9.378 678 HG LEU 589 HG LEU 589 3.591 -2.498 -8.427 679 HD11 LEU 589 HD11 LEU 589 2.396 -4.499 -9.065 680 HD12 LEU 589 HD12 LEU 589 4.017 -4.525 -9.760 681 HD13 LEU 589 HD13 LEU 589 2.629 -4.124 -10.772 682 HD21 LEU 589 HD21 LEU 589 3.901 -1.969 -11.377 683 HD22 LEU 589 HD22 LEU 589 5.187 -2.466 -10.278 684 HD23 LEU 589 HD23 LEU 589 4.406 -0.899 -10.069 685 H ILE 590 HN ILE 590 0.883 -4.120 -6.799 686 HA ILE 590 HA ILE 590 1.978 -2.373 -4.714 687 HB ILE 590 HB ILE 590 0.795 -5.147 -4.455 688 HG12 ILE 590 HG12 ILE 590 -0.338 -2.404 -3.881 689 HG13 ILE 590 HG13 ILE 590 -0.940 -3.583 -5.036 690 HG21 ILE 590 HG21 ILE 590 0.836 -4.709 -2.037 691 HG22 ILE 590 HG22 ILE 590 1.676 -3.187 -2.338 692 HG23 ILE 590 HG23 ILE 590 2.455 -4.717 -2.737 693 HD11 ILE 590 HD11 ILE 590 -1.028 -3.776 -2.028 694 HD12 ILE 590 HD12 ILE 590 -1.506 -5.070 -3.135 695 HD13 ILE 590 HD13 ILE 590 -2.386 -3.542 -3.136 696 H ARG 591 HN ARG 591 4.043 -2.544 -4.111 697 HA ARG 591 HA ARG 591 5.566 -4.977 -4.587 698 HB2 ARG 591 HB2 ARG 591 6.196 -2.339 -5.912 699 HB3 ARG 591 HB3 ARG 591 7.408 -3.588 -5.679 700 HG2 ARG 591 HG2 ARG 591 5.952 -5.136 -6.988 701 HG3 ARG 591 HG3 ARG 591 4.909 -3.758 -7.342 702 HD2 ARG 591 HD2 ARG 591 6.447 -4.117 -9.176 703 HD3 ARG 591 HD3 ARG 591 6.827 -2.598 -8.364 704 HE ARG 591 HE ARG 591 8.426 -4.493 -7.171 705 HH11 ARG 591 HH11 ARG 591 7.967 -3.280 -10.425 706 HH12 ARG 591 HH12 ARG 591 9.602 -3.585 -10.909 707 HH21 ARG 591 HH21 ARG 591 10.584 -4.913 -7.810 708 HH22 ARG 591 HH22 ARG 591 11.092 -4.504 -9.420 709 H MET 592 HN MET 592 7.810 -4.734 -3.632 710 HA MET 592 HA MET 592 7.582 -3.337 -1.096 711 HB2 MET 592 HB2 MET 592 9.738 -5.139 -2.206 712 HB3 MET 592 HB3 MET 592 9.812 -4.390 -0.620 713 HG2 MET 592 HG2 MET 592 7.676 -5.553 -0.059 714 HG3 MET 592 HG3 MET 592 7.813 -6.416 -1.590 715 HE1 MET 592 HE1 MET 592 8.708 -9.169 1.045 716 HE2 MET 592 HE2 MET 592 7.688 -8.750 -0.332 717 HE3 MET 592 HE3 MET 592 7.507 -7.886 1.195 718 H SER 593 HN SER 593 8.950 -1.649 -0.408 719 HA SER 593 HA SER 593 9.829 0.004 -2.620 720 HB2 SER 593 HB2 SER 593 8.493 1.033 -0.858 721 HB3 SER 593 HB3 SER 593 9.705 0.589 0.343 722 HG SER 593 HG SER 593 9.665 2.683 -1.425 723 H THR 594 HN THR 594 11.812 0.624 -3.067 724 HA THR 594 HA THR 594 14.017 -0.902 -1.930 725 HB THR 594 HB THR 594 15.295 0.164 -3.847 726 HG1 THR 594 HG1 THR 594 14.157 1.338 -5.320 727 HG21 THR 594 HG21 THR 594 14.258 -1.262 -5.554 728 HG22 THR 594 HG22 THR 594 12.830 -1.443 -4.534 729 HG23 THR 594 HG23 THR 594 14.380 -2.100 -4.008 730 H ARG 595 HN ARG 595 12.635 2.165 -1.515 731 HA ARG 595 HA ARG 595 15.232 3.475 -1.130 732 HB2 ARG 595 HB2 ARG 595 12.488 4.532 -1.718 733 HB3 ARG 595 HB3 ARG 595 13.743 5.585 -1.082 734 HG2 ARG 595 HG2 ARG 595 15.158 5.071 -2.997 735 HG3 ARG 595 HG3 ARG 595 13.917 3.984 -3.623 736 HD2 ARG 595 HD2 ARG 595 13.928 6.235 -4.689 737 HD3 ARG 595 HD3 ARG 595 12.392 5.798 -3.946 738 HE ARG 595 HE ARG 595 13.895 7.223 -2.066 739 HH11 ARG 595 HH11 ARG 595 12.353 7.788 -5.158 740 HH12 ARG 595 HH12 ARG 595 11.999 9.450 -4.826 741 HH21 ARG 595 HH21 ARG 595 13.396 9.408 -1.610 742 HH22 ARG 595 HH22 ARG 595 12.571 10.366 -2.797 743 H TYR 596 HN TYR 596 12.358 2.555 0.608 744 HA TYR 596 HA TYR 596 13.542 3.769 3.018 745 HB2 TYR 596 HB2 TYR 596 10.637 3.722 2.201 746 HB3 TYR 596 HB3 TYR 596 11.171 4.103 3.835 747 HD1 TYR 596 HD1 TYR 596 11.110 5.257 0.345 748 HD2 TYR 596 HD2 TYR 596 12.228 6.210 4.337 749 HE1 TYR 596 HE1 TYR 596 11.454 7.599 -0.316 750 HE2 TYR 596 HE2 TYR 596 12.569 8.558 3.686 751 HH TYR 596 HH TYR 596 13.089 9.827 1.607 752 H LYS 597 HN LYS 597 13.339 2.688 4.951 753 HA LYS 597 HA LYS 597 12.550 -0.119 4.688 754 HB2 LYS 597 HB2 LYS 597 14.555 1.188 6.511 755 HB3 LYS 597 HB3 LYS 597 13.949 -0.440 6.796 756 HG2 LYS 597 HG2 LYS 597 16.029 -0.630 5.667 757 HG3 LYS 597 HG3 LYS 597 14.765 -1.053 4.513 758 HD2 LYS 597 HD2 LYS 597 14.898 1.286 3.637 759 HD3 LYS 597 HD3 LYS 597 16.295 1.537 4.686 760 HE2 LYS 597 HE2 LYS 597 17.468 -0.289 3.563 761 HE3 LYS 597 HE3 LYS 597 16.069 -0.547 2.519 762 HZ1 LYS 597 HZ1 LYS 597 16.366 1.722 1.684 763 HZ2 LYS 597 HZ2 LYS 597 17.713 0.754 1.376 764 HZ3 LYS 597 HZ3 LYS 597 17.757 1.893 2.627 765 H GLU 598 HN GLU 598 11.608 2.791 6.170 766 HA GLU 598 HA GLU 598 9.646 1.285 7.722 767 HB2 GLU 598 HB2 GLU 598 11.513 1.845 9.262 768 HB3 GLU 598 HB3 GLU 598 11.263 3.549 8.908 769 HG2 GLU 598 HG2 GLU 598 9.006 3.411 9.840 770 HG3 GLU 598 HG3 GLU 598 9.267 1.703 10.201 771 H LEU 599 HN LEU 599 7.737 2.363 8.093 772 HA LEU 599 HA LEU 599 7.325 4.777 6.481 773 HB2 LEU 599 HB2 LEU 599 5.344 2.793 7.584 774 HB3 LEU 599 HB1 LEU 599 4.892 4.256 6.731 775 HG LEU 599 HG LEU 599 6.368 1.874 5.622 776 HD11 LEU 599 HD11 LEU 599 3.990 1.573 5.729 777 HD12 LEU 599 HD12 LEU 599 4.471 1.840 4.054 778 HD13 LEU 599 HD13 LEU 599 3.718 3.143 4.974 779 HD21 LEU 599 HD21 LEU 599 6.040 4.639 4.536 780 HD22 LEU 599 HD22 LEU 599 6.129 3.251 3.457 781 HD23 LEU 599 HD23 LEU 599 7.471 3.602 4.547 782 H GLN 600 HN GLN 600 7.146 6.661 7.382 783 HA GLN 600 HA GLN 600 6.557 6.859 10.246 784 HB2 GLN 600 HB2 GLN 600 8.658 7.868 9.581 785 HB3 GLN 600 HB3 GLN 600 7.856 8.793 8.321 786 HG2 GLN 600 HG2 GLN 600 6.585 9.985 10.091 787 HG3 GLN 600 HG3 GLN 600 7.561 9.137 11.293 788 HE21 GLN 600 HE21 GLN 600 7.545 11.548 8.795 789 HE22 GLN 600 HE22 GLN 600 9.073 12.257 9.178 790 H LEU 601 HN LEU 601 4.601 7.581 10.861 791 HA LEU 601 HA LEU 601 2.768 8.593 8.864 792 HB2 LEU 601 HB2 LEU 601 2.431 8.056 11.810 793 HB3 LEU 601 HB1 LEU 601 1.153 8.670 10.782 794 HG LEU 601 HG LEU 601 2.490 5.973 10.589 795 HD11 LEU 601 HD11 LEU 601 0.236 5.149 11.095 796 HD12 LEU 601 HD12 LEU 601 -0.326 6.812 11.263 797 HD13 LEU 601 HD13 LEU 601 0.870 6.169 12.387 798 HD21 LEU 601 HD21 LEU 601 2.039 6.780 8.349 799 HD22 LEU 601 HD22 LEU 601 0.396 7.220 8.812 800 HD23 LEU 601 HD23 LEU 601 0.877 5.525 8.778 801 H LYS 602 HN LYS 602 3.422 10.634 8.275 802 HA LYS 602 HA LYS 602 3.767 12.697 10.256 803 HB2 LYS 602 HB2 LYS 602 3.441 12.901 7.254 804 HB3 LYS 602 HB3 LYS 602 3.893 14.226 8.317 805 HG2 LYS 602 HG2 LYS 602 5.892 12.804 8.985 806 HG3 LYS 602 HG3 LYS 602 5.479 11.777 7.613 807 HD2 LYS 602 HD2 LYS 602 6.043 14.738 7.455 808 HD3 LYS 602 HD3 LYS 602 7.199 13.466 7.067 809 HE2 LYS 602 HE2 LYS 602 5.696 12.664 5.297 810 HE3 LYS 602 HE3 LYS 602 4.571 13.967 5.675 811 HZ1 LYS 602 HZ1 LYS 602 5.994 14.491 3.780 812 HZ2 LYS 602 HZ2 LYS 602 7.367 14.343 4.753 813 HZ3 LYS 602 HZ3 LYS 602 6.243 15.570 5.056 814 H LYS 603 HN LYS 603 1.150 11.198 8.734 815 HA LYS 603 HA LYS 603 -0.627 13.447 9.408 816 HB2 LYS 603 HB2 LYS 603 -0.934 11.368 7.231 817 HB3 LYS 603 HB3 LYS 603 -2.168 12.542 7.664 818 HG2 LYS 603 HG2 LYS 603 0.564 13.144 6.546 819 HG3 LYS 603 HG3 LYS 603 -0.977 13.272 5.696 820 HD2 LYS 603 HD2 LYS 603 -1.694 14.999 7.298 821 HD3 LYS 603 HD3 LYS 603 -0.125 14.893 8.097 822 HE2 LYS 603 HE2 LYS 603 -0.092 16.777 6.623 823 HE3 LYS 603 HE3 LYS 603 0.948 15.524 5.948 824 HZ1 LYS 603 HZ1 LYS 603 -0.865 14.902 4.453 825 HZ2 LYS 603 HZ2 LYS 603 -0.423 16.522 4.243 826 HZ3 LYS 603 HZ3 LYS 603 -1.829 16.136 5.095 827 HA PRO 604 HA PRO 604 -2.678 10.867 12.320 828 HB2 PRO 604 HB2 PRO 604 -5.299 11.570 11.924 829 HB3 PRO 604 HB1 PRO 604 -4.137 12.553 12.824 830 HG2 PRO 604 HG2 PRO 604 -5.043 12.817 9.983 831 HG3 PRO 604 HG3 PRO 604 -4.775 14.082 11.196 832 HD2 PRO 604 HD2 PRO 604 -2.971 13.577 9.276 833 HD3 PRO 604 HD3 PRO 604 -2.475 14.044 10.915 834 H GLY 605 HN GLY 605 -3.793 8.943 12.510 835 HA2 GLY 605 HA2 GLY 605 -4.612 7.739 9.951 836 HA3 GLY 605 HA3 GLY 605 -3.775 6.855 11.219 837 H LYS 606 HN LYS 606 -6.592 7.061 9.806 838 HA LYS 606 HA LYS 606 -8.428 7.052 11.998 839 HB2 LYS 606 HB2 LYS 606 -8.719 5.788 9.263 840 HB3 LYS 606 HB3 LYS 606 -10.022 6.128 10.389 841 HG2 LYS 606 HG2 LYS 606 -9.579 8.530 10.157 842 HG3 LYS 606 HG3 LYS 606 -8.303 8.166 8.994 843 HD2 LYS 606 HD2 LYS 606 -11.228 7.489 8.685 844 HD3 LYS 606 HD3 LYS 606 -10.379 8.799 7.865 845 HE2 LYS 606 HE2 LYS 606 -8.939 7.168 6.748 846 HE3 LYS 606 HE3 LYS 606 -9.772 5.855 7.579 847 HZ1 LYS 606 HZ1 LYS 606 -10.930 7.713 5.577 848 HZ2 LYS 606 HZ2 LYS 606 -11.835 6.609 6.474 849 HZ3 LYS 606 HZ3 LYS 606 -10.664 6.051 5.392 850 H ASN 607 HN ASN 607 -9.465 5.133 12.921 851 HA ASN 607 HA ASN 607 -7.834 2.942 13.400 852 HB2 ASN 607 HB2 ASN 607 -9.830 3.489 14.752 853 HB3 ASN 607 HB3 ASN 607 -10.863 3.030 13.401 854 HD21 ASN 607 HD21 ASN 607 -11.892 1.412 14.540 855 HD22 ASN 607 HD22 ASN 607 -11.107 -0.067 14.970 856 H VAL 608 HN VAL 608 -7.171 1.370 12.136 857 HA VAL 608 HA VAL 608 -8.250 1.150 9.473 858 HB VAL 608 HB VAL 608 -5.870 -0.140 10.814 859 HG11 VAL 608 HG11 VAL 608 -5.225 -0.844 8.505 860 HG12 VAL 608 HG12 VAL 608 -6.869 -0.449 8.000 861 HG13 VAL 608 HG13 VAL 608 -6.596 -1.715 9.193 862 HG21 VAL 608 HG21 VAL 608 -6.089 1.983 8.675 863 HG22 VAL 608 HG22 VAL 608 -4.587 1.309 9.307 864 HG23 VAL 608 HG23 VAL 608 -5.644 2.245 10.361 865 H ALA 609 HN ALA 609 -8.469 -0.569 12.467 866 HA ALA 609 HA ALA 609 -9.444 -3.030 11.528 867 HB1 ALA 609 HB1 ALA 609 -10.479 -3.282 13.717 868 HB2 ALA 609 HB2 ALA 609 -10.239 -1.565 14.042 869 HB3 ALA 609 HB3 ALA 609 -8.847 -2.632 13.871 870 H ALA 610 HN ALA 610 -10.973 0.096 11.925 871 HA ALA 610 HA ALA 610 -13.642 -0.711 11.456 872 HB1 ALA 610 HB1 ALA 610 -12.336 1.952 10.888 873 HB2 ALA 610 HB2 ALA 610 -13.073 1.470 12.415 874 HB3 ALA 610 HB3 ALA 610 -14.070 1.644 10.972 875 H ILE 611 HN ILE 611 -10.915 -0.058 9.413 876 HA ILE 611 HA ILE 611 -12.333 0.134 6.953 877 HB ILE 611 HB ILE 611 -9.427 -0.559 7.479 878 HG12 ILE 611 HG12 ILE 611 -10.723 2.068 6.716 879 HG13 ILE 611 HG13 ILE 611 -10.138 1.657 8.325 880 HG21 ILE 611 HG21 ILE 611 -9.025 0.043 5.162 881 HG22 ILE 611 HG22 ILE 611 -10.744 0.356 4.924 882 HG23 ILE 611 HG23 ILE 611 -10.184 -1.284 5.253 883 HD11 ILE 611 HD11 ILE 611 -7.861 1.414 7.375 884 HD12 ILE 611 HD12 ILE 611 -8.528 3.042 7.227 885 HD13 ILE 611 HD13 ILE 611 -8.495 1.971 5.828 886 H ILE 612 HN ILE 612 -10.932 -2.507 8.835 887 HA ILE 612 HA ILE 612 -11.359 -4.621 7.060 888 HB ILE 612 HB ILE 612 -11.742 -4.670 10.064 889 HG12 ILE 612 HG12 ILE 612 -9.285 -5.325 8.428 890 HG13 ILE 612 HG13 ILE 612 -9.504 -3.859 9.378 891 HG21 ILE 612 HG21 ILE 612 -11.231 -6.911 8.112 892 HG22 ILE 612 HG22 ILE 612 -12.726 -6.613 9.000 893 HG23 ILE 612 HG23 ILE 612 -11.261 -7.073 9.868 894 HD11 ILE 612 HD11 ILE 612 -8.113 -5.460 10.545 895 HD12 ILE 612 HD12 ILE 612 -9.392 -6.669 10.451 896 HD13 ILE 612 HD13 ILE 612 -9.627 -5.209 11.412 897 H GLN 613 HN GLN 613 -13.543 -2.976 9.284 898 HA GLN 613 HA GLN 613 -15.803 -4.628 8.862 899 HB2 GLN 613 HB2 GLN 613 -15.737 -1.691 9.580 900 HB3 GLN 613 HB3 GLN 613 -17.114 -2.767 9.772 901 HG2 GLN 613 HG2 GLN 613 -14.484 -2.931 11.227 902 HG3 GLN 613 HG3 GLN 613 -16.032 -2.416 11.894 903 HE21 GLN 613 HE21 GLN 613 -14.076 -5.102 10.945 904 HE22 GLN 613 HE22 GLN 613 -15.100 -6.337 11.565 905 H ASP 614 HN ASP 614 -14.445 -1.959 7.116 906 HA ASP 614 HA ASP 614 -16.628 -1.454 5.360 907 HB2 ASP 614 HB2 ASP 614 -13.696 -0.836 5.239 908 HB3 ASP 614 HB3 ASP 614 -14.680 -0.624 3.796 909 H ILE 615 HN ILE 615 -13.757 -3.507 5.077 910 HA ILE 615 HA ILE 615 -14.241 -4.525 2.508 911 HB ILE 615 HB ILE 615 -12.855 -5.824 4.860 912 HG12 ILE 615 HG12 ILE 615 -11.674 -4.310 2.526 913 HG13 ILE 615 HG13 ILE 615 -12.006 -3.584 4.097 914 HG21 ILE 615 HG21 ILE 615 -11.722 -7.211 3.205 915 HG22 ILE 615 HG22 ILE 615 -12.667 -6.463 1.918 916 HG23 ILE 615 HG23 ILE 615 -13.468 -7.453 3.139 917 HD11 ILE 615 HD11 ILE 615 -10.098 -5.820 3.517 918 HD12 ILE 615 HD12 ILE 615 -10.484 -5.218 5.127 919 HD13 ILE 615 HD13 ILE 615 -9.700 -4.162 3.956 920 H HIS 616 HN HIS 616 -15.123 -5.751 5.709 921 HA HIS 616 HA HIS 616 -16.386 -8.110 4.833 922 HB2 HIS 616 HB2 HIS 616 -16.734 -6.480 7.348 923 HB3 HIS 616 HB3 HIS 616 -17.560 -8.011 7.079 924 HD1 HIS 616 HD1 HIS 616 -15.964 -8.257 9.422 925 HD2 HIS 616 HD2 HIS 616 -14.185 -8.602 5.679 926 HE1 HIS 616 HE1 HIS 616 -13.800 -9.481 9.808 927 HE2 HIS 616 HE2 HIS 616 -12.683 -9.559 7.551 928 H SER 617 HN SER 617 -17.579 -4.829 5.264 929 HA SER 617 HA SER 617 -20.302 -5.435 4.804 930 HB2 SER 617 HB2 SER 617 -18.783 -2.847 4.419 931 HB3 SER 617 HB3 SER 617 -20.539 -3.002 4.392 932 HG SER 617 HG SER 617 -18.751 -3.258 6.553 933 H GLN 618 HN GLN 618 -17.560 -5.000 2.760 934 HA GLN 618 HA GLN 618 -17.206 -5.399 0.567 935 HB2 GLN 618 HB2 GLN 618 -20.079 -6.316 0.624 936 HB3 GLN 618 HB3 GLN 618 -19.073 -6.386 -0.817 937 HG2 GLN 618 HG2 GLN 618 -17.543 -7.889 0.264 938 HG3 GLN 618 HG3 GLN 618 -18.413 -7.736 1.788 939 HE21 GLN 618 HE21 GLN 618 -18.774 -9.938 1.898 940 HE22 GLN 618 HE22 GLN 618 -19.917 -10.742 0.880 941 H ARG 619 HN ARG 619 -20.581 -4.271 0.442 942 HA ARG 619 HA ARG 619 -21.550 -2.503 -0.595 943 HB2 ARG 619 HB2 ARG 619 -18.901 -1.146 -0.057 944 HB3 ARG 619 HB3 ARG 619 -20.401 -0.333 -0.479 945 HG2 ARG 619 HG2 ARG 619 -21.418 -1.152 1.594 946 HG3 ARG 619 HG3 ARG 619 -19.896 -1.937 2.019 947 HD2 ARG 619 HD2 ARG 619 -20.109 0.195 3.167 948 HD3 ARG 619 HD3 ARG 619 -18.777 0.242 2.013 949 HE ARG 619 HE ARG 619 -21.156 1.202 0.817 950 HH11 ARG 619 HH11 ARG 619 -18.709 2.125 3.139 951 HH12 ARG 619 HH12 ARG 619 -18.890 3.823 2.845 952 HH21 ARG 619 HH21 ARG 619 -21.411 3.436 0.442 953 HH22 ARG 619 HH22 ARG 619 -20.422 4.570 1.307 954 H GLU 620 HN GLU 620 -20.403 -4.425 -2.252 955 HA GLU 620 HA GLU 620 -18.907 -3.208 -4.357 956 HB2 GLU 620 HB2 GLU 620 -20.500 -5.779 -4.326 957 HB3 GLU 620 HB3 GLU 620 -19.385 -5.294 -5.594 958 HG2 GLU 620 HG2 GLU 620 -18.626 -5.781 -2.724 959 HG3 GLU 620 HG3 GLU 620 -18.429 -6.939 -4.036 960 H ARG 621 HN ARG 621 -19.621 -2.248 -6.184 961 HA ARG 621 HA ARG 621 -22.457 -1.584 -6.253 962 HB2 ARG 621 HB2 ARG 621 -20.125 -0.488 -7.837 963 HB3 ARG 621 HB3 ARG 621 -21.778 0.105 -7.932 964 HG2 ARG 621 HG2 ARG 621 -21.686 0.730 -5.569 965 HG3 ARG 621 HG3 ARG 621 -20.020 0.156 -5.489 966 HD2 ARG 621 HD2 ARG 621 -20.065 2.562 -5.753 967 HD3 ARG 621 HD3 ARG 621 -19.389 1.805 -7.194 968 HE ARG 621 HE ARG 621 -22.155 2.183 -7.549 969 HH11 ARG 621 HH11 ARG 621 -19.180 4.009 -7.341 970 HH12 ARG 621 HH12 ARG 621 -19.748 5.296 -8.356 971 HH21 ARG 621 HH21 ARG 621 -22.922 3.885 -8.874 972 HH22 ARG 621 HH22 ARG 621 -21.881 5.225 -9.227 Start of MODEL 17 1 HO5' ADN 1 H5T ADE 1 7.550 -0.761 -12.961 2 H5'1 ADN 1 H5' ADE 1 5.712 0.549 -11.781 3 H5'2 ADN 1 H5'' ADE 1 7.122 1.594 -11.552 4 H4' ADN 1 H4' ADE 1 6.439 -0.866 -10.258 5 H3' ADN 1 H3' ADE 1 7.512 1.377 -9.313 6 H2' ADN 1 H2' ADE 1 9.594 1.266 -10.560 7 HO2' ADN 1 HO2' ADE 1 11.083 0.047 -8.980 8 H1' ADN 1 H1' ADE 1 9.762 -1.715 -9.849 9 H8 ADN 1 H8 ADE 1 9.516 -0.808 -13.417 10 HN61 ADN 1 H61 ADE 1 14.209 -1.060 -14.654 11 HN62 ADN 1 H62 ADE 1 15.687 -1.195 -13.728 12 H2 ADN 1 H2 ADE 1 14.498 -1.269 -9.402 13 H5' U 2 H5' URI 2 7.514 3.646 -6.602 14 H5'' U 2 H5'' URI 2 6.602 2.700 -7.796 15 H4' U 2 H4' URI 2 9.339 3.636 -8.488 16 H3' U 2 H3' URI 2 7.699 5.629 -7.618 17 H2' U 2 H2' URI 2 5.943 5.324 -9.237 18 HO2' U 2 HO2' URI 2 6.180 7.091 -10.394 19 H1' U 2 H1' URI 2 8.105 4.638 -11.310 20 H3 U 2 H3 URI 2 5.233 3.700 -14.558 21 H5 U 2 H5 URI 2 3.111 2.529 -11.132 22 H6 U 2 H6 URI 2 4.981 3.272 -9.811 23 H5' C 3 H5' CYT 3 8.167 9.389 -6.170 24 H5'' C 3 H5'' CYT 3 9.784 8.690 -5.973 25 H4' C 3 H4' CYT 3 7.391 8.376 -4.369 26 H3' C 3 H3' CYT 3 10.004 8.875 -3.768 27 H2' C 3 H2' CYT 3 10.869 6.677 -4.085 28 HO2' C 3 HO2' CYT 3 9.754 6.929 -1.517 29 H1' C 3 H1' CYT 3 8.247 5.488 -3.037 30 H41 C 3 H41 CYT 3 11.537 1.060 -6.719 31 H42 C 3 H42 CYT 3 10.833 0.199 -5.367 32 H5 C 3 H5 CYT 3 11.288 3.444 -7.032 33 H6 C 3 H6 CYT 3 10.322 5.486 -6.118 34 H5' U 4 H5' URI 4 6.908 11.699 -2.094 35 H5'' U 4 H5'' URI 4 8.021 12.321 -0.861 36 H4' U 4 H4' URI 4 5.243 12.191 -0.751 37 H3' U 4 H3' URI 4 7.000 13.689 0.573 38 H2' U 4 H2' URI 4 7.918 11.917 1.957 39 HO2' U 4 HO2' URI 4 5.734 13.191 3.248 40 H1' U 4 H1' URI 4 5.054 10.942 2.485 41 H3 U 4 H3 URI 4 7.251 8.132 5.330 42 H5 U 4 H5 URI 4 8.591 7.083 1.493 43 H6 U 4 H6 URI 4 7.442 9.020 0.645 44 H5' U 5 H5' URI 5 3.581 12.206 0.722 45 H5'' U 5 H5'' URI 5 3.201 11.774 -0.955 46 H4' U 5 H4' URI 5 0.997 12.253 -0.745 47 H3' U 5 H3' URI 5 1.562 14.610 0.496 48 H2' U 5 H2' URI 5 1.823 13.777 2.728 49 HO2' U 5 HO2' URI 5 -0.852 14.331 2.125 50 H1' U 5 H1' URI 5 -0.400 11.722 2.200 51 H3 U 5 H3 URI 5 0.312 9.262 5.828 52 H5 U 5 H5 URI 5 3.999 11.219 5.329 53 H6 U 5 H6 URI 5 3.076 12.301 3.390 54 H5' A 6 H5' ADE 6 -2.704 13.886 0.142 55 H5'' A 6 H5'' ADE 6 -3.904 14.970 -0.585 56 H4' A 6 H4' ADE 6 -2.859 15.323 1.850 57 H3' A 6 H3' ADE 6 -4.633 16.788 0.511 58 HO3' A 6 H3T ADE 6 -3.884 18.459 2.254 59 H2' A 6 H2' ADE 6 -3.043 17.912 -0.943 60 HO2' A 6 HO2' ADE 6 -3.433 19.910 -0.333 61 H1' A 6 H1' ADE 6 -1.269 18.366 1.520 62 H8 A 6 H8 ADE 6 -1.619 18.611 -2.196 63 H61 A 6 H61 ADE 6 3.022 19.442 -3.346 64 H62 A 6 H62 ADE 6 4.520 19.342 -2.448 65 H2 A 6 H2 ADE 6 3.443 18.067 1.716 66 H1 GLY 510 HT1 GLY 510 17.792 -5.648 -8.354 67 H2 GLY 510 HT2 GLY 510 18.933 -6.472 -7.419 68 H3 GLY 510 HT3 GLY 510 19.353 -5.020 -8.176 69 HA2 GLY 510 HA3 GLY 510 18.977 -4.693 -5.809 70 HA3 GLY 510 HA2 GLY 510 17.831 -3.793 -6.794 71 H ALA 511 HN ALA 511 16.961 -4.033 -4.395 72 HA ALA 511 HA ALA 511 15.240 -4.718 -3.092 73 HB1 ALA 511 HB1 ALA 511 13.938 -4.467 -5.158 74 HB2 ALA 511 HB2 ALA 511 13.314 -5.763 -4.139 75 HB3 ALA 511 HB3 ALA 511 14.275 -6.150 -5.566 76 H MET 512 HN MET 512 17.647 -6.261 -3.092 77 HA MET 512 HA MET 512 16.647 -8.980 -2.603 78 HB2 MET 512 HB2 MET 512 18.575 -8.774 -4.135 79 HB3 MET 512 HB3 MET 512 19.499 -8.005 -2.853 80 HG2 MET 512 HG2 MET 512 19.260 -10.066 -1.505 81 HG3 MET 512 HG3 MET 512 18.452 -10.825 -2.875 82 HE1 MET 512 HE1 MET 512 19.632 -11.308 -5.204 83 HE2 MET 512 HE2 MET 512 21.312 -10.905 -5.557 84 HE3 MET 512 HE3 MET 512 20.124 -9.620 -5.342 85 H ALA 513 HN ALA 513 19.095 -6.814 -1.177 86 HA ALA 513 HA ALA 513 18.356 -7.849 1.468 87 HB1 ALA 513 HB1 ALA 513 20.717 -8.065 0.899 88 HB2 ALA 513 HB2 ALA 513 20.499 -6.937 2.236 89 HB3 ALA 513 HB3 ALA 513 20.819 -6.328 0.611 90 H GLN 514 HN GLN 514 16.480 -6.600 1.691 91 HA GLN 514 HA GLN 514 16.806 -3.689 1.605 92 HB2 GLN 514 HB2 GLN 514 14.310 -5.379 1.776 93 HB3 GLN 514 HB3 GLN 514 14.344 -3.627 1.634 94 HG2 GLN 514 HG2 GLN 514 15.275 -3.748 -0.553 95 HG3 GLN 514 HG3 GLN 514 15.539 -5.483 -0.407 96 HE21 GLN 514 HE21 GLN 514 13.189 -2.974 -0.913 97 HE22 GLN 514 HE22 GLN 514 11.925 -4.005 -1.467 98 H ARG 515 HN ARG 515 16.668 -6.247 3.813 99 HA ARG 515 HA ARG 515 16.560 -6.414 6.064 100 HB2 ARG 515 HB2 ARG 515 16.958 -3.434 5.905 101 HB3 ARG 515 HB3 ARG 515 16.854 -4.303 7.429 102 HG2 ARG 515 HG2 ARG 515 18.792 -5.656 6.773 103 HG3 ARG 515 HG3 ARG 515 18.908 -4.735 5.272 104 HD2 ARG 515 HD2 ARG 515 20.481 -3.910 6.947 105 HD3 ARG 515 HD3 ARG 515 19.277 -2.690 6.537 106 HE ARG 515 HE ARG 515 18.296 -4.030 8.745 107 HH11 ARG 515 HH11 ARG 515 21.099 -2.099 7.964 108 HH12 ARG 515 HH12 ARG 515 21.305 -1.510 9.582 109 HH21 ARG 515 HH21 ARG 515 18.542 -3.254 10.871 110 HH22 ARG 515 HH22 ARG 515 19.844 -2.167 11.244 111 H LYS 516 HN LYS 516 14.420 -7.174 5.780 112 HA LYS 516 HA LYS 516 12.204 -5.339 6.111 113 HB2 LYS 516 HB2 LYS 516 12.254 -8.361 5.990 114 HB3 LYS 516 HB3 LYS 516 10.815 -7.355 5.902 115 HG2 LYS 516 HG2 LYS 516 13.046 -7.064 3.928 116 HG3 LYS 516 HG3 LYS 516 11.781 -8.274 3.725 117 HD2 LYS 516 HD2 LYS 516 10.092 -6.620 3.575 118 HD3 LYS 516 HD3 LYS 516 11.185 -5.356 4.146 119 HE2 LYS 516 HE2 LYS 516 10.703 -5.377 1.665 120 HE3 LYS 516 HE3 LYS 516 12.401 -5.358 2.128 121 HZ1 LYS 516 HZ1 LYS 516 12.047 -6.933 0.361 122 HZ2 LYS 516 HZ2 LYS 516 10.849 -7.733 1.250 123 HZ3 LYS 516 HZ3 LYS 516 12.456 -7.773 1.773 124 H GLY 517 HN GLY 517 14.342 -6.843 8.158 125 HA2 GLY 517 HA2 GLY 517 12.751 -7.838 10.237 126 HA3 GLY 517 HA3 GLY 517 14.401 -7.259 10.408 127 H ALA 518 HN ALA 518 11.191 -6.749 11.186 128 HA ALA 518 HA ALA 518 10.063 -5.197 12.387 129 HB1 ALA 518 HB1 ALA 518 12.804 -4.248 13.198 130 HB2 ALA 518 HB2 ALA 518 11.909 -5.559 13.962 131 HB3 ALA 518 HB3 ALA 518 11.288 -3.911 14.032 132 H GLY 519 HN GLY 519 10.863 -4.562 9.615 133 HA2 GLY 519 HA2 GLY 519 9.922 -1.882 9.559 134 HA3 GLY 519 HA3 GLY 519 11.653 -1.931 9.252 135 H ARG 520 HN ARG 520 8.496 -2.668 8.020 136 HA ARG 520 HA ARG 520 9.748 -3.421 5.456 137 HB2 ARG 520 HB2 ARG 520 6.942 -4.030 6.398 138 HB3 ARG 520 HB3 ARG 520 7.692 -4.592 4.911 139 HG2 ARG 520 HG2 ARG 520 8.889 -6.207 5.958 140 HG3 ARG 520 HG3 ARG 520 9.042 -5.279 7.453 141 HD2 ARG 520 HD2 ARG 520 6.586 -6.715 6.460 142 HD3 ARG 520 HD3 ARG 520 7.599 -7.178 7.827 143 HE ARG 520 HE ARG 520 5.836 -4.814 7.713 144 HH11 ARG 520 HH11 ARG 520 7.673 -7.165 9.558 145 HH12 ARG 520 HH12 ARG 520 7.138 -6.558 11.092 146 HH21 ARG 520 HH21 ARG 520 5.148 -4.019 9.714 147 HH22 ARG 520 HH22 ARG 520 5.707 -4.768 11.182 148 H VAL 521 HN VAL 521 9.375 -2.183 3.768 149 HA VAL 521 HA VAL 521 7.090 -0.340 3.883 150 HB VAL 521 HB VAL 521 9.667 0.142 2.391 151 HG11 VAL 521 HG11 VAL 521 7.071 1.648 2.444 152 HG12 VAL 521 HG12 VAL 521 7.912 0.986 1.045 153 HG13 VAL 521 HG13 VAL 521 8.592 2.363 1.910 154 HG21 VAL 521 HG21 VAL 521 8.412 1.604 4.703 155 HG22 VAL 521 HG22 VAL 521 9.917 2.035 3.895 156 HG23 VAL 521 HG23 VAL 521 9.805 0.530 4.808 157 H VAL 522 HN VAL 522 5.531 -0.775 2.547 158 HA VAL 522 HA VAL 522 6.147 -2.284 0.094 159 HB VAL 522 HB VAL 522 3.565 -2.432 1.658 160 HG11 VAL 522 HG11 VAL 522 3.123 -4.398 0.254 161 HG12 VAL 522 HG12 VAL 522 4.618 -4.085 -0.629 162 HG13 VAL 522 HG13 VAL 522 3.296 -2.919 -0.695 163 HG21 VAL 522 HG21 VAL 522 5.347 -3.405 2.993 164 HG22 VAL 522 HG22 VAL 522 5.840 -4.406 1.626 165 HG23 VAL 522 HG23 VAL 522 4.269 -4.661 2.384 166 H HIS 523 HN HIS 523 5.680 -1.100 -1.707 167 HA HIS 523 HA HIS 523 4.136 1.346 -1.278 168 HB2 HIS 523 HB2 HIS 523 6.472 1.638 -1.947 169 HB3 HIS 523 HB3 HIS 523 6.212 0.620 -3.356 170 HD1 HIS 523 HD1 HIS 523 5.227 1.696 -5.415 171 HD2 HIS 523 HD2 HIS 523 5.333 4.248 -2.134 172 HE1 HIS 523 HE1 HIS 523 4.728 3.983 -6.317 173 HE2 HIS 523 HE2 HIS 523 5.037 5.523 -4.358 174 H ILE 524 HN ILE 524 2.371 1.753 -2.411 175 HA ILE 524 HA ILE 524 1.585 -0.149 -4.516 176 HB ILE 524 HB ILE 524 -0.233 1.542 -2.784 177 HG12 ILE 524 HG12 ILE 524 0.513 -1.383 -2.579 178 HG13 ILE 524 HG13 ILE 524 0.892 -0.124 -1.416 179 HG21 ILE 524 HG21 ILE 524 -1.231 1.031 -4.918 180 HG22 ILE 524 HG22 ILE 524 -2.002 0.044 -3.674 181 HG23 ILE 524 HG23 ILE 524 -0.804 -0.671 -4.752 182 HD11 ILE 524 HD11 ILE 524 -1.872 -1.093 -2.094 183 HD12 ILE 524 HD12 ILE 524 -1.456 0.120 -0.882 184 HD13 ILE 524 HD13 ILE 524 -0.932 -1.553 -0.673 185 H CYS 525 HN CYS 525 0.881 0.738 -6.470 186 HA CYS 525 HA CYS 525 0.948 3.650 -6.671 187 HB2 CYS 525 HB2 CYS 525 2.393 3.369 -8.769 188 HB3 CYS 525 HB3 CYS 525 3.186 3.208 -7.206 189 HG CYS 525 HG CYS 525 2.554 0.225 -7.591 190 H ASN 526 HN ASN 526 0.270 4.440 -8.758 191 HA ASN 526 HA ASN 526 -0.886 4.450 -10.737 192 HB2 ASN 526 HB2 ASN 526 -1.480 1.543 -10.171 193 HB3 ASN 526 HB3 ASN 526 -2.117 2.418 -11.557 194 HD21 ASN 526 HD21 ASN 526 -0.413 0.091 -11.507 195 HD22 ASN 526 HD22 ASN 526 1.035 0.528 -12.356 196 H LEU 527 HN LEU 527 -1.688 5.073 -8.055 197 HA LEU 527 HA LEU 527 -4.560 4.579 -8.014 198 HB2 LEU 527 HB2 LEU 527 -2.674 5.983 -6.123 199 HB3 LEU 527 HB1 LEU 527 -4.410 5.967 -5.895 200 HG LEU 527 HG LEU 527 -2.734 3.460 -6.009 201 HD11 LEU 527 HD11 LEU 527 -3.698 5.026 -3.617 202 HD12 LEU 527 HD12 LEU 527 -2.022 4.813 -4.119 203 HD13 LEU 527 HD13 LEU 527 -2.958 3.426 -3.560 204 HD21 LEU 527 HD21 LEU 527 -5.530 3.997 -5.014 205 HD22 LEU 527 HD22 LEU 527 -4.697 2.442 -4.993 206 HD23 LEU 527 HD23 LEU 527 -5.118 3.197 -6.529 207 HA PRO 528 HA PRO 528 -4.995 8.442 -10.240 208 HB2 PRO 528 HB2 PRO 528 -7.871 8.147 -9.855 209 HB3 PRO 528 HB1 PRO 528 -6.939 8.081 -11.351 210 HG2 PRO 528 HG2 PRO 528 -8.136 5.903 -10.266 211 HG3 PRO 528 HG3 PRO 528 -6.646 5.809 -11.223 212 HD2 PRO 528 HD2 PRO 528 -7.004 5.732 -8.251 213 HD3 PRO 528 HD3 PRO 528 -5.908 4.788 -9.286 214 H GLU 529 HN GLU 529 -5.003 10.470 -9.514 215 HA GLU 529 HA GLU 529 -5.503 11.125 -6.808 216 HB2 GLU 529 HB2 GLU 529 -3.886 12.331 -8.197 217 HB3 GLU 529 HB3 GLU 529 -5.185 12.892 -9.242 218 HG2 GLU 529 HG2 GLU 529 -6.133 14.136 -7.335 219 HG3 GLU 529 HG3 GLU 529 -4.762 13.621 -6.351 220 H GLY 530 HN GLY 530 -7.358 11.855 -5.819 221 HA2 GLY 530 HA2 GLY 530 -9.553 12.710 -5.761 222 HA3 GLY 530 HA3 GLY 530 -9.645 12.529 -7.511 223 H SER 531 HN SER 531 -8.250 9.825 -6.231 224 HA SER 531 HA SER 531 -10.692 8.396 -5.633 225 HB2 SER 531 HB2 SER 531 -8.964 7.702 -8.017 226 HB3 SER 531 HB3 SER 531 -10.272 6.693 -7.388 227 HG SER 531 HG SER 531 -11.184 9.183 -7.754 228 H CYS 532 HN CYS 532 -7.736 9.122 -4.786 229 HA CYS 532 HA CYS 532 -6.793 6.443 -4.085 230 HB2 CYS 532 HB2 CYS 532 -5.552 9.114 -3.399 231 HB3 CYS 532 HB3 CYS 532 -4.789 7.542 -3.250 232 HG CYS 532 HG CYS 532 -5.770 8.202 -6.363 233 H THR 533 HN THR 533 -8.472 5.891 -2.596 234 HA THR 533 HA THR 533 -8.764 7.700 -0.313 235 HB THR 533 HB THR 533 -10.708 6.445 0.316 236 HG1 THR 533 HG1 THR 533 -10.974 4.611 -1.590 237 HG21 THR 533 HG21 THR 533 -11.071 8.010 -1.531 238 HG22 THR 533 HG22 THR 533 -12.123 6.603 -1.686 239 HG23 THR 533 HG23 THR 533 -10.682 6.742 -2.693 240 H GLU 534 HN GLU 534 -8.475 6.912 1.817 241 HA GLU 534 HA GLU 534 -6.317 5.121 2.171 242 HB2 GLU 534 HB2 GLU 534 -8.339 5.995 4.233 243 HB3 GLU 534 HB3 GLU 534 -6.719 5.393 4.530 244 HG2 GLU 534 HG2 GLU 534 -5.716 7.374 3.588 245 HG3 GLU 534 HG3 GLU 534 -7.290 7.915 2.998 246 H ASN 535 HN ASN 535 -9.748 4.851 2.155 247 HA ASN 535 HA ASN 535 -9.964 2.361 3.447 248 HB2 ASN 535 HB2 ASN 535 -11.815 3.862 1.610 249 HB3 ASN 535 HB3 ASN 535 -12.228 2.275 2.250 250 HD21 ASN 535 HD21 ASN 535 -13.947 3.027 3.437 251 HD22 ASN 535 HD22 ASN 535 -13.750 3.983 4.864 252 H ASP 536 HN ASP 536 -9.712 3.174 -0.056 253 HA ASP 536 HA ASP 536 -10.253 0.470 -0.852 254 HB2 ASP 536 HB2 ASP 536 -9.234 2.894 -2.319 255 HB3 ASP 536 HB3 ASP 536 -9.287 1.317 -3.097 256 H VAL 537 HN VAL 537 -7.379 2.423 -0.585 257 HA VAL 537 HA VAL 537 -5.493 0.583 -1.583 258 HB VAL 537 HB VAL 537 -5.004 2.688 0.547 259 HG11 VAL 537 HG11 VAL 537 -2.725 2.727 -0.265 260 HG12 VAL 537 HG12 VAL 537 -3.110 1.507 -1.480 261 HG13 VAL 537 HG13 VAL 537 -3.149 1.086 0.234 262 HG21 VAL 537 HG21 VAL 537 -6.096 3.705 -1.333 263 HG22 VAL 537 HG22 VAL 537 -5.010 2.891 -2.459 264 HG23 VAL 537 HG23 VAL 537 -4.386 4.131 -1.374 265 H ILE 538 HN ILE 538 -6.511 1.252 1.729 266 HA ILE 538 HA ILE 538 -5.060 -0.879 2.884 267 HB ILE 538 HB ILE 538 -7.394 0.701 3.938 268 HG12 ILE 538 HG12 ILE 538 -4.429 0.802 4.527 269 HG13 ILE 538 HG13 ILE 538 -5.321 1.966 3.553 270 HG21 ILE 538 HG21 ILE 538 -7.411 -1.396 5.068 271 HG22 ILE 538 HG22 ILE 538 -6.654 -0.223 6.144 272 HG23 ILE 538 HG23 ILE 538 -5.660 -1.375 5.251 273 HD11 ILE 538 HD11 ILE 538 -6.626 2.618 5.487 274 HD12 ILE 538 HD12 ILE 538 -4.897 2.787 5.810 275 HD13 ILE 538 HD13 ILE 538 -5.789 1.416 6.471 276 H ASN 539 HN ASN 539 -8.315 -0.650 1.513 277 HA ASN 539 HA ASN 539 -9.347 -3.095 2.352 278 HB2 ASN 539 HB2 ASN 539 -9.709 -1.702 -0.308 279 HB3 ASN 539 HB3 ASN 539 -10.551 -3.182 0.116 280 HD21 ASN 539 HD21 ASN 539 -10.901 -2.266 2.926 281 HD22 ASN 539 HD22 ASN 539 -12.167 -1.105 2.851 282 H LEU 540 HN LEU 540 -6.912 -2.370 -0.045 283 HA LEU 540 HA LEU 540 -6.827 -5.018 -1.120 284 HB2 LEU 540 HB2 LEU 540 -4.735 -2.839 -1.077 285 HB3 LEU 540 HB1 LEU 540 -4.666 -4.289 -2.057 286 HG LEU 540 HG LEU 540 -6.641 -2.028 -2.323 287 HD11 LEU 540 HD11 LEU 540 -5.572 -1.692 -4.479 288 HD12 LEU 540 HD12 LEU 540 -4.456 -3.015 -4.147 289 HD13 LEU 540 HD13 LEU 540 -4.404 -1.550 -3.167 290 HD21 LEU 540 HD21 LEU 540 -7.767 -4.118 -2.792 291 HD22 LEU 540 HD22 LEU 540 -6.450 -4.620 -3.851 292 HD23 LEU 540 HD23 LEU 540 -7.466 -3.250 -4.298 293 H GLY 541 HN GLY 541 -4.990 -3.209 1.319 294 HA2 GLY 541 HA2 GLY 541 -3.155 -5.222 1.955 295 HA3 GLY 541 HA3 GLY 541 -3.602 -3.878 2.995 296 H LEU 542 HN LEU 542 -6.203 -4.491 3.673 297 HA LEU 542 HA LEU 542 -5.539 -6.026 5.904 298 HB2 LEU 542 HB2 LEU 542 -8.134 -4.976 4.890 299 HB3 LEU 542 HB1 LEU 542 -8.053 -5.933 6.355 300 HG LEU 542 HG LEU 542 -6.452 -3.416 5.931 301 HD11 LEU 542 HD11 LEU 542 -8.796 -2.852 5.870 302 HD12 LEU 542 HD12 LEU 542 -8.103 -2.350 7.412 303 HD13 LEU 542 HD13 LEU 542 -9.095 -3.805 7.320 304 HD21 LEU 542 HD21 LEU 542 -6.180 -3.525 8.357 305 HD22 LEU 542 HD22 LEU 542 -5.544 -4.970 7.577 306 HD23 LEU 542 HD23 LEU 542 -7.102 -5.026 8.396 307 HA PRO 543 HA PRO 543 -8.407 -9.578 4.164 308 HB2 PRO 543 HB2 PRO 543 -7.551 -9.408 1.312 309 HB3 PRO 543 HB1 PRO 543 -9.124 -9.854 1.992 310 HG2 PRO 543 HG2 PRO 543 -8.833 -7.473 0.910 311 HG3 PRO 543 HG3 PRO 543 -9.682 -7.619 2.468 312 HD2 PRO 543 HD2 PRO 543 -6.831 -6.808 1.943 313 HD3 PRO 543 HD3 PRO 543 -8.038 -6.029 2.988 314 H PHE 544 HN PHE 544 -5.149 -8.778 3.061 315 HA PHE 544 HA PHE 544 -4.438 -11.622 3.183 316 HB2 PHE 544 HB2 PHE 544 -2.888 -9.271 2.097 317 HB3 PHE 544 HB3 PHE 544 -2.353 -10.947 2.054 318 HD1 PHE 544 HD1 PHE 544 -3.641 -12.595 0.688 319 HD2 PHE 544 HD2 PHE 544 -4.339 -8.402 0.472 320 HE1 PHE 544 HE1 PHE 544 -4.776 -12.899 -1.472 321 HE2 PHE 544 HE2 PHE 544 -5.477 -8.699 -1.688 322 HZ PHE 544 HZ PHE 544 -5.710 -10.942 -2.657 323 H GLY 545 HN GLY 545 -4.290 -8.812 5.069 324 HA2 GLY 545 HA2 GLY 545 -2.833 -10.027 7.148 325 HA3 GLY 545 HA3 GLY 545 -1.745 -8.993 6.233 326 H LYS 546 HN LYS 546 -1.704 -7.988 8.497 327 HA LYS 546 HA LYS 546 -4.084 -6.348 8.996 328 HB2 LYS 546 HB2 LYS 546 -3.285 -7.628 10.918 329 HB3 LYS 546 HB3 LYS 546 -1.694 -6.900 10.763 330 HG2 LYS 546 HG2 LYS 546 -2.579 -4.733 11.338 331 HG3 LYS 546 HG3 LYS 546 -4.221 -5.377 11.365 332 HD2 LYS 546 HD2 LYS 546 -3.597 -6.862 13.217 333 HD3 LYS 546 HD3 LYS 546 -1.964 -6.194 13.194 334 HE2 LYS 546 HE2 LYS 546 -3.335 -5.191 14.960 335 HE3 LYS 546 HE3 LYS 546 -2.831 -3.999 13.766 336 HZ1 LYS 546 HZ1 LYS 546 -4.992 -4.049 12.782 337 HZ2 LYS 546 HZ2 LYS 546 -5.183 -3.800 14.441 338 HZ3 LYS 546 HZ3 LYS 546 -5.489 -5.323 13.775 339 H VAL 547 HN VAL 547 -4.078 -4.304 8.304 340 HA VAL 547 HA VAL 547 -1.606 -3.036 7.521 341 HB VAL 547 HB VAL 547 -4.477 -2.089 7.467 342 HG11 VAL 547 HG11 VAL 547 -3.762 -0.200 6.177 343 HG12 VAL 547 HG12 VAL 547 -2.087 -0.757 6.202 344 HG13 VAL 547 HG13 VAL 547 -2.859 -0.214 7.692 345 HG21 VAL 547 HG21 VAL 547 -4.138 -3.845 5.908 346 HG22 VAL 547 HG22 VAL 547 -2.615 -3.149 5.358 347 HG23 VAL 547 HG23 VAL 547 -4.137 -2.339 4.994 348 H THR 548 HN THR 548 -0.374 -2.156 9.028 349 HA THR 548 HA THR 548 -1.592 -1.030 11.423 350 HB THR 548 HB THR 548 0.822 -0.847 12.167 351 HG1 THR 548 HG1 THR 548 2.030 -2.526 10.677 352 HG21 THR 548 HG21 THR 548 -0.614 -2.724 12.837 353 HG22 THR 548 HG22 THR 548 1.051 -3.250 12.589 354 HG23 THR 548 HG23 THR 548 -0.171 -3.587 11.364 355 H ASN 549 HN ASN 549 0.288 -0.071 8.635 356 HA ASN 549 HA ASN 549 -0.280 2.737 9.244 357 HB2 ASN 549 HB2 ASN 549 2.472 1.658 8.571 358 HB3 ASN 549 HB3 ASN 549 2.053 3.361 8.533 359 HD21 ASN 549 HD21 ASN 549 0.451 3.348 10.929 360 HD22 ASN 549 HD22 ASN 549 1.535 3.133 12.252 361 H TYR 550 HN TYR 550 -0.212 4.097 7.408 362 HA TYR 550 HA TYR 550 0.174 2.965 4.787 363 HB2 TYR 550 HB2 TYR 550 -2.146 3.431 4.056 364 HB3 TYR 550 HB3 TYR 550 -2.086 2.180 5.294 365 HD1 TYR 550 HD1 TYR 550 -3.776 5.003 4.248 366 HD2 TYR 550 HD2 TYR 550 -2.319 3.190 7.804 367 HE1 TYR 550 HE1 TYR 550 -5.373 6.309 5.579 368 HE2 TYR 550 HE2 TYR 550 -3.928 4.491 9.136 369 HH TYR 550 HH TYR 550 -6.403 6.447 7.585 370 H ILE 551 HN ILE 551 0.143 4.616 3.128 371 HA ILE 551 HA ILE 551 0.048 7.389 4.073 372 HB ILE 551 HB ILE 551 2.384 6.206 2.558 373 HG12 ILE 551 HG12 ILE 551 2.303 7.272 5.391 374 HG13 ILE 551 HG13 ILE 551 2.383 5.569 4.956 375 HG21 ILE 551 HG21 ILE 551 1.924 9.002 3.570 376 HG22 ILE 551 HG22 ILE 551 1.921 8.480 1.884 377 HG23 ILE 551 HG23 ILE 551 3.411 8.416 2.825 378 HD11 ILE 551 HD11 ILE 551 4.474 7.646 4.359 379 HD12 ILE 551 HD12 ILE 551 4.554 5.942 3.910 380 HD13 ILE 551 HD13 ILE 551 4.556 6.407 5.611 381 H LEU 552 HN LEU 552 -1.032 8.587 2.530 382 HA LEU 552 HA LEU 552 -1.354 7.266 -0.066 383 HB2 LEU 552 HB2 LEU 552 -3.239 9.034 1.460 384 HB3 LEU 552 HB1 LEU 552 -3.425 8.714 -0.257 385 HG LEU 552 HG LEU 552 -3.648 6.797 2.039 386 HD11 LEU 552 HD11 LEU 552 -5.486 7.646 -0.181 387 HD12 LEU 552 HD12 LEU 552 -5.575 8.164 1.502 388 HD13 LEU 552 HD13 LEU 552 -5.866 6.479 1.079 389 HD21 LEU 552 HD21 LEU 552 -4.003 5.033 0.374 390 HD22 LEU 552 HD22 LEU 552 -2.363 5.673 0.293 391 HD23 LEU 552 HD23 LEU 552 -3.559 6.156 -0.911 392 H MET 553 HN MET 553 -0.452 8.210 -1.750 393 HA MET 553 HA MET 553 0.341 11.041 -1.430 394 HB2 MET 553 HB2 MET 553 1.616 9.063 -3.326 395 HB3 MET 553 HB3 MET 553 2.249 10.616 -2.800 396 HG2 MET 553 HG2 MET 553 2.899 9.798 -0.735 397 HG3 MET 553 HG3 MET 553 1.796 8.426 -0.820 398 HE1 MET 553 HE1 MET 553 5.249 9.903 -1.863 399 HE2 MET 553 HE2 MET 553 4.447 9.816 -3.432 400 HE3 MET 553 HE3 MET 553 5.808 8.751 -3.075 401 H LYS 554 HN LYS 554 -1.949 11.298 -2.159 402 HA LYS 554 HA LYS 554 -2.961 10.865 -4.586 403 HB2 LYS 554 HB2 LYS 554 -3.182 13.660 -3.568 404 HB3 LYS 554 HB3 LYS 554 -4.427 12.604 -4.217 405 HG2 LYS 554 HG2 LYS 554 -3.155 12.381 -1.493 406 HG3 LYS 554 HG3 LYS 554 -4.761 13.011 -1.845 407 HD2 LYS 554 HD2 LYS 554 -5.393 10.804 -2.743 408 HD3 LYS 554 HD3 LYS 554 -3.800 10.176 -2.295 409 HE2 LYS 554 HE2 LYS 554 -5.344 9.559 -0.585 410 HE3 LYS 554 HE3 LYS 554 -4.304 10.820 0.061 411 HZ1 LYS 554 HZ1 LYS 554 -7.082 11.162 -0.921 412 HZ2 LYS 554 HZ2 LYS 554 -6.086 12.424 -0.401 413 HZ3 LYS 554 HZ3 LYS 554 -6.569 11.227 0.689 414 H SER 555 HN SER 555 -0.245 12.999 -3.983 415 HA SER 555 HA SER 555 -0.649 14.637 -6.280 416 HB2 SER 555 HB2 SER 555 1.631 15.475 -5.728 417 HB3 SER 555 HB3 SER 555 0.529 15.509 -4.351 418 HG SER 555 HG SER 555 2.692 14.632 -3.952 419 H THR 556 HN THR 556 1.450 11.878 -5.527 420 HA THR 556 HA THR 556 2.527 11.982 -8.240 421 HB THR 556 HB THR 556 4.157 10.292 -7.400 422 HG1 THR 556 HG1 THR 556 3.379 10.869 -4.769 423 HG21 THR 556 HG21 THR 556 4.743 12.654 -7.351 424 HG22 THR 556 HG22 THR 556 5.401 11.825 -5.940 425 HG23 THR 556 HG23 THR 556 3.961 12.830 -5.780 426 H ASN 557 HN ASN 557 -0.111 10.698 -6.974 427 HA ASN 557 HA ASN 557 -1.492 8.958 -7.444 428 HB2 ASN 557 HB2 ASN 557 0.356 8.667 -9.826 429 HB3 ASN 557 HB3 ASN 557 -1.143 7.766 -9.625 430 HD21 ASN 557 HD21 ASN 557 -3.098 8.831 -9.806 431 HD22 ASN 557 HD22 ASN 557 -3.230 10.385 -10.561 432 H GLN 558 HN GLN 558 0.467 8.542 -5.586 433 HA GLN 558 HA GLN 558 1.088 5.687 -5.895 434 HB2 GLN 558 HB2 GLN 558 3.012 7.783 -4.857 435 HB3 GLN 558 HB3 GLN 558 3.304 6.048 -4.881 436 HG2 GLN 558 HG2 GLN 558 3.105 6.128 -7.364 437 HG3 GLN 558 HG3 GLN 558 3.024 7.885 -7.240 438 HE21 GLN 558 HE21 GLN 558 4.851 9.010 -6.443 439 HE22 GLN 558 HE22 GLN 558 6.431 8.314 -6.560 440 H ALA 559 HN ALA 559 1.593 4.659 -3.730 441 HA ALA 559 HA ALA 559 1.003 6.205 -1.383 442 HB1 ALA 559 HB1 ALA 559 -1.250 5.727 -2.100 443 HB2 ALA 559 HB2 ALA 559 -0.872 4.785 -0.651 444 HB3 ALA 559 HB3 ALA 559 -0.870 4.006 -2.239 445 H PHE 560 HN PHE 560 1.258 4.917 0.584 446 HA PHE 560 HA PHE 560 2.941 2.514 0.172 447 HB2 PHE 560 HB2 PHE 560 3.176 4.610 2.334 448 HB3 PHE 560 HB3 PHE 560 4.010 3.070 2.382 449 HD1 PHE 560 HD1 PHE 560 5.820 2.582 0.825 450 HD2 PHE 560 HD2 PHE 560 3.920 6.390 0.909 451 HE1 PHE 560 HE1 PHE 560 7.709 3.549 -0.418 452 HE2 PHE 560 HE2 PHE 560 5.805 7.361 -0.339 453 HZ PHE 560 HZ PHE 560 7.704 5.941 -1.003 454 H LEU 561 HN LEU 561 2.716 0.796 1.593 455 HA LEU 561 HA LEU 561 0.432 0.879 3.437 456 HB2 LEU 561 HB2 LEU 561 -0.287 -0.025 1.242 457 HB3 LEU 561 HB1 LEU 561 0.954 -1.254 1.357 458 HG LEU 561 HG LEU 561 -0.190 -2.193 3.341 459 HD11 LEU 561 HD11 LEU 561 -2.280 -0.115 2.697 460 HD12 LEU 561 HD12 LEU 561 -1.281 -0.180 4.149 461 HD13 LEU 561 HD13 LEU 561 -2.477 -1.441 3.843 462 HD21 LEU 561 HD21 LEU 561 -2.062 -1.922 0.990 463 HD22 LEU 561 HD22 LEU 561 -1.942 -3.266 2.124 464 HD23 LEU 561 HD23 LEU 561 -0.633 -2.956 0.982 465 H GLU 562 HN GLU 562 1.179 0.295 5.358 466 HA GLU 562 HA GLU 562 3.445 -1.566 5.526 467 HB2 GLU 562 HB2 GLU 562 3.001 0.768 6.869 468 HB3 GLU 562 HB3 GLU 562 2.421 -0.416 8.031 469 HG2 GLU 562 HG2 GLU 562 5.151 -0.432 6.761 470 HG3 GLU 562 HG3 GLU 562 4.782 0.197 8.363 471 H MET 563 HN MET 563 3.336 -3.478 6.526 472 HA MET 563 HA MET 563 0.649 -4.444 7.255 473 HB2 MET 563 HB2 MET 563 2.743 -5.976 5.692 474 HB3 MET 563 HB3 MET 563 1.084 -6.471 6.015 475 HG2 MET 563 HG2 MET 563 0.202 -4.863 4.546 476 HG3 MET 563 HG3 MET 563 1.727 -3.985 4.465 477 HE1 MET 563 HE1 MET 563 0.086 -4.646 1.886 478 HE2 MET 563 HE2 MET 563 1.317 -5.285 0.799 479 HE3 MET 563 HE3 MET 563 1.670 -3.877 1.802 480 H ALA 564 HN ALA 564 0.616 -6.017 8.879 481 HA ALA 564 HA ALA 564 2.399 -5.395 10.941 482 HB1 ALA 564 HB1 ALA 564 1.225 -7.077 12.255 483 HB2 ALA 564 HB2 ALA 564 0.475 -7.705 10.789 484 HB3 ALA 564 HB3 ALA 564 0.098 -6.075 11.341 485 H TYR 565 HN TYR 565 2.514 -7.965 8.596 486 HA TYR 565 HA TYR 565 5.077 -8.783 9.732 487 HB2 TYR 565 HB2 TYR 565 2.817 -10.671 9.059 488 HB3 TYR 565 HB3 TYR 565 4.484 -11.190 9.284 489 HD1 TYR 565 HD1 TYR 565 1.392 -10.342 10.913 490 HD2 TYR 565 HD2 TYR 565 5.577 -10.803 11.520 491 HE1 TYR 565 HE1 TYR 565 1.017 -10.512 13.337 492 HE2 TYR 565 HE2 TYR 565 5.213 -10.979 13.941 493 HH TYR 565 HH TYR 565 2.105 -11.391 15.311 494 H THR 566 HN THR 566 6.437 -9.881 8.268 495 HA THR 566 HA THR 566 6.451 -8.741 5.681 496 HB THR 566 HB THR 566 8.513 -9.398 6.909 497 HG1 THR 566 HG1 THR 566 8.332 -10.708 4.382 498 HG21 THR 566 HG21 THR 566 7.737 -12.207 6.117 499 HG22 THR 566 HG22 THR 566 7.776 -11.571 7.762 500 HG23 THR 566 HG23 THR 566 9.271 -11.723 6.840 501 H GLU 567 HN GLU 567 5.212 -11.726 6.935 502 HA GLU 567 HA GLU 567 4.945 -13.250 4.618 503 HB2 GLU 567 HB2 GLU 567 3.035 -14.341 5.793 504 HB3 GLU 567 HB3 GLU 567 4.488 -14.222 6.776 505 HG2 GLU 567 HG2 GLU 567 3.586 -12.493 8.085 506 HG3 GLU 567 HG3 GLU 567 2.269 -12.203 6.951 507 H ALA 568 HN ALA 568 3.108 -10.531 5.782 508 HA ALA 568 HA ALA 568 0.852 -10.944 4.064 509 HB1 ALA 568 HB1 ALA 568 1.689 -8.471 5.572 510 HB2 ALA 568 HB2 ALA 568 0.649 -9.749 6.196 511 HB3 ALA 568 HB3 ALA 568 0.111 -8.763 4.838 512 H ALA 569 HN ALA 569 3.752 -8.929 4.027 513 HA ALA 569 HA ALA 569 3.067 -7.322 1.840 514 HB1 ALA 569 HB1 ALA 569 5.802 -8.118 2.828 515 HB2 ALA 569 HB2 ALA 569 4.847 -6.756 3.414 516 HB3 ALA 569 HB3 ALA 569 5.442 -6.765 1.754 517 H GLN 570 HN GLN 570 4.907 -10.347 2.039 518 HA GLN 570 HA GLN 570 5.573 -10.394 -0.711 519 HB2 GLN 570 HB2 GLN 570 6.155 -12.765 -0.321 520 HB3 GLN 570 HB3 GLN 570 6.894 -11.677 0.843 521 HG2 GLN 570 HG2 GLN 570 5.131 -12.265 2.462 522 HG3 GLN 570 HG3 GLN 570 4.477 -13.412 1.298 523 HE21 GLN 570 HE21 GLN 570 7.094 -14.302 0.372 524 HE22 GLN 570 HE22 GLN 570 7.751 -15.267 1.639 525 H ALA 571 HN ALA 571 2.892 -11.712 1.147 526 HA ALA 571 HA ALA 571 1.833 -13.368 -0.869 527 HB1 ALA 571 HB1 ALA 571 -0.192 -13.408 0.483 528 HB2 ALA 571 HB2 ALA 571 0.401 -12.042 1.430 529 HB3 ALA 571 HB3 ALA 571 1.241 -13.590 1.495 530 H MET 572 HN MET 572 1.146 -10.013 0.052 531 HA MET 572 HA MET 572 -0.980 -9.687 -1.798 532 HB2 MET 572 HB2 MET 572 0.748 -7.495 -0.650 533 HB3 MET 572 HB3 MET 572 -0.880 -7.336 -1.297 534 HG2 MET 572 HG2 MET 572 -1.592 -8.937 0.539 535 HG3 MET 572 HG3 MET 572 -0.006 -8.644 1.248 536 HE1 MET 572 HE1 MET 572 -1.905 -8.108 3.280 537 HE2 MET 572 HE2 MET 572 -1.695 -6.421 3.740 538 HE3 MET 572 HE3 MET 572 -0.285 -7.419 3.385 539 H VAL 573 HN VAL 573 2.485 -8.873 -1.934 540 HA VAL 573 HA VAL 573 2.443 -7.622 -4.433 541 HB VAL 573 HB VAL 573 4.653 -9.243 -3.150 542 HG11 VAL 573 HG11 VAL 573 6.175 -8.145 -4.720 543 HG12 VAL 573 HG12 VAL 573 4.804 -7.374 -5.516 544 HG13 VAL 573 HG13 VAL 573 4.984 -9.127 -5.572 545 HG21 VAL 573 HG21 VAL 573 3.999 -7.278 -1.875 546 HG22 VAL 573 HG22 VAL 573 4.174 -6.269 -3.311 547 HG23 VAL 573 HG23 VAL 573 5.590 -7.044 -2.599 548 H GLN 574 HN GLN 574 2.908 -11.048 -3.591 549 HA GLN 574 HA GLN 574 3.259 -12.004 -6.206 550 HB2 GLN 574 HB2 GLN 574 2.150 -13.348 -3.741 551 HB3 GLN 574 HB3 GLN 574 2.468 -14.200 -5.245 552 HG2 GLN 574 HG2 GLN 574 4.818 -13.668 -5.090 553 HG3 GLN 574 HG3 GLN 574 4.527 -12.710 -3.641 554 HE21 GLN 574 HE21 GLN 574 6.227 -15.052 -4.069 555 HE22 GLN 574 HE22 GLN 574 5.718 -16.221 -2.913 556 H TYR 575 HN TYR 575 0.368 -11.322 -4.346 557 HA TYR 575 HA TYR 575 -1.434 -12.635 -6.121 558 HB2 TYR 575 HB2 TYR 575 -1.997 -12.149 -3.761 559 HB3 TYR 575 HB3 TYR 575 -2.015 -10.429 -4.137 560 HD1 TYR 575 HD1 TYR 575 -3.947 -9.411 -4.957 561 HD2 TYR 575 HD2 TYR 575 -3.671 -13.655 -4.972 562 HE1 TYR 575 HE1 TYR 575 -6.318 -9.556 -5.579 563 HE2 TYR 575 HE2 TYR 575 -6.043 -13.811 -5.598 564 HH TYR 575 HH TYR 575 -7.839 -11.132 -6.665 565 H TYR 576 HN TYR 576 -0.670 -9.198 -5.597 566 HA TYR 576 HA TYR 576 -2.359 -8.385 -7.741 567 HB2 TYR 576 HB2 TYR 576 -0.398 -6.826 -6.063 568 HB3 TYR 576 HB3 TYR 576 -1.474 -6.096 -7.257 569 HD1 TYR 576 HD1 TYR 576 -3.967 -6.275 -6.924 570 HD2 TYR 576 HD2 TYR 576 -1.194 -7.435 -3.915 571 HE1 TYR 576 HE1 TYR 576 -5.764 -6.215 -5.248 572 HE2 TYR 576 HE2 TYR 576 -2.982 -7.371 -2.231 573 HH TYR 576 HH TYR 576 -5.128 -6.486 -1.848 574 H GLN 577 HN GLN 577 0.892 -9.418 -7.711 575 HA GLN 577 HA GLN 577 1.719 -8.059 -10.080 576 HB2 GLN 577 HB2 GLN 577 2.626 -10.685 -8.894 577 HB3 GLN 577 HB3 GLN 577 3.327 -9.997 -10.350 578 HG2 GLN 577 HG2 GLN 577 3.335 -8.762 -7.610 579 HG3 GLN 577 HG3 GLN 577 4.702 -9.517 -8.425 580 HE21 GLN 577 HE21 GLN 577 4.326 -6.802 -7.386 581 HE22 GLN 577 HE22 GLN 577 4.642 -5.749 -8.720 582 H GLU 578 HN GLU 578 0.114 -11.139 -9.447 583 HA GLU 578 HA GLU 578 -0.236 -11.623 -12.283 584 HB2 GLU 578 HB2 GLU 578 -1.227 -13.151 -9.876 585 HB3 GLU 578 HB3 GLU 578 -1.422 -13.671 -11.544 586 HG2 GLU 578 HG2 GLU 578 1.036 -13.721 -11.771 587 HG3 GLU 578 HG3 GLU 578 1.168 -13.308 -10.062 588 H LYS 579 HN LYS 579 -2.264 -10.704 -9.499 589 HA LYS 579 HA LYS 579 -4.351 -9.942 -11.425 590 HB2 LYS 579 HB2 LYS 579 -4.761 -11.174 -8.690 591 HB3 LYS 579 HB3 LYS 579 -6.040 -10.593 -9.748 592 HG2 LYS 579 HG2 LYS 579 -5.362 -12.283 -11.423 593 HG3 LYS 579 HG3 LYS 579 -4.177 -12.901 -10.270 594 HD2 LYS 579 HD2 LYS 579 -5.958 -13.422 -8.694 595 HD3 LYS 579 HD3 LYS 579 -7.156 -12.752 -9.803 596 HE2 LYS 579 HE2 LYS 579 -7.142 -15.165 -9.958 597 HE3 LYS 579 HE3 LYS 579 -6.551 -14.463 -11.460 598 HZ1 LYS 579 HZ1 LYS 579 -4.310 -14.968 -10.818 599 HZ2 LYS 579 HZ2 LYS 579 -5.240 -16.373 -10.694 600 HZ3 LYS 579 HZ3 LYS 579 -4.815 -15.522 -9.300 601 HA PRO 580 HA PRO 580 -3.181 -6.238 -8.922 602 HB2 PRO 580 HB2 PRO 580 -3.543 -4.472 -10.952 603 HB3 PRO 580 HB1 PRO 580 -2.033 -5.352 -10.701 604 HG2 PRO 580 HG2 PRO 580 -4.258 -5.917 -12.612 605 HG3 PRO 580 HG3 PRO 580 -2.506 -6.000 -12.871 606 HD2 PRO 580 HD2 PRO 580 -4.028 -8.197 -12.415 607 HD3 PRO 580 HD3 PRO 580 -2.334 -8.080 -11.900 608 H ALA 581 HN ALA 581 -4.472 -4.351 -8.364 609 HA ALA 581 HA ALA 581 -7.320 -5.002 -8.454 610 HB1 ALA 581 HB1 ALA 581 -6.317 -4.551 -6.272 611 HB2 ALA 581 HB2 ALA 581 -7.538 -3.342 -6.666 612 HB3 ALA 581 HB3 ALA 581 -5.825 -2.949 -6.821 613 H ILE 582 HN ILE 582 -8.860 -3.637 -9.325 614 HA ILE 582 HA ILE 582 -7.756 -1.675 -11.196 615 HB ILE 582 HB ILE 582 -10.530 -2.867 -11.160 616 HG12 ILE 582 HG12 ILE 582 -8.148 -3.673 -12.844 617 HG13 ILE 582 HG13 ILE 582 -8.722 -4.573 -11.445 618 HG21 ILE 582 HG21 ILE 582 -9.005 -1.382 -13.298 619 HG22 ILE 582 HG22 ILE 582 -10.362 -0.755 -12.361 620 HG23 ILE 582 HG23 ILE 582 -10.609 -2.093 -13.483 621 HD11 ILE 582 HD11 ILE 582 -10.303 -4.048 -13.950 622 HD12 ILE 582 HD12 ILE 582 -10.826 -5.006 -12.565 623 HD13 ILE 582 HD13 ILE 582 -9.471 -5.550 -13.553 624 H ILE 583 HN ILE 583 -7.941 0.416 -10.813 625 HA ILE 583 HA ILE 583 -10.368 1.409 -9.480 626 HB ILE 583 HB ILE 583 -7.550 2.401 -9.007 627 HG12 ILE 583 HG12 ILE 583 -8.245 0.436 -7.648 628 HG13 ILE 583 HG13 ILE 583 -7.949 1.871 -6.673 629 HG21 ILE 583 HG21 ILE 583 -8.534 4.150 -7.629 630 HG22 ILE 583 HG22 ILE 583 -10.151 3.586 -8.055 631 HG23 ILE 583 HG23 ILE 583 -9.100 4.265 -9.297 632 HD11 ILE 583 HD11 ILE 583 -9.903 0.701 -5.887 633 HD12 ILE 583 HD12 ILE 583 -10.635 0.797 -7.489 634 HD13 ILE 583 HD13 ILE 583 -10.361 2.268 -6.555 635 H ASN 584 HN ASN 584 -11.446 2.567 -10.936 636 HA ASN 584 HA ASN 584 -11.966 3.873 -12.706 637 HB2 ASN 584 HB2 ASN 584 -9.339 5.216 -12.035 638 HB3 ASN 584 HB3 ASN 584 -10.535 5.857 -13.154 639 HD21 ASN 584 HD21 ASN 584 -9.584 7.190 -10.899 640 HD22 ASN 584 HD22 ASN 584 -10.895 7.407 -9.788 641 H GLY 585 HN GLY 585 -10.540 1.419 -13.171 642 HA2 GLY 585 HA2 GLY 585 -10.097 0.347 -15.169 643 HA3 GLY 585 HA3 GLY 585 -9.949 1.908 -15.959 644 H GLU 586 HN GLU 586 -8.063 1.893 -13.187 645 HA GLU 586 HA GLU 586 -5.693 1.209 -14.791 646 HB2 GLU 586 HB2 GLU 586 -5.991 3.150 -12.498 647 HB3 GLU 586 HB3 GLU 586 -4.443 2.685 -13.189 648 HG2 GLU 586 HG2 GLU 586 -5.197 3.540 -15.375 649 HG3 GLU 586 HG3 GLU 586 -6.693 4.081 -14.618 650 H LYS 587 HN LYS 587 -4.517 -0.446 -14.211 651 HA LYS 587 HA LYS 587 -5.167 -2.086 -11.983 652 HB2 LYS 587 HB2 LYS 587 -2.647 -2.212 -13.633 653 HB3 LYS 587 HB3 LYS 587 -3.424 -3.524 -12.760 654 HG2 LYS 587 HG2 LYS 587 -4.606 -2.114 -15.139 655 HG3 LYS 587 HG3 LYS 587 -3.736 -3.644 -15.201 656 HD2 LYS 587 HD2 LYS 587 -5.415 -4.657 -13.737 657 HD3 LYS 587 HD3 LYS 587 -6.278 -3.119 -13.665 658 HE2 LYS 587 HE2 LYS 587 -7.284 -4.683 -15.278 659 HE3 LYS 587 HE3 LYS 587 -6.704 -3.207 -16.045 660 HZ1 LYS 587 HZ1 LYS 587 -5.219 -5.777 -15.991 661 HZ2 LYS 587 HZ2 LYS 587 -4.763 -4.370 -16.813 662 HZ3 LYS 587 HZ3 LYS 587 -6.140 -5.224 -17.296 663 H LEU 588 HN LEU 588 -4.499 -1.887 -9.933 664 HA LEU 588 HA LEU 588 -2.424 -0.019 -9.233 665 HB2 LEU 588 HB2 LEU 588 -3.912 -1.945 -7.454 666 HB3 LEU 588 HB1 LEU 588 -3.010 -0.529 -6.948 667 HG LEU 588 HG LEU 588 -5.594 -0.556 -8.502 668 HD11 LEU 588 HD11 LEU 588 -5.998 -1.014 -6.218 669 HD12 LEU 588 HD12 LEU 588 -6.386 0.685 -6.477 670 HD13 LEU 588 HD13 LEU 588 -4.870 0.237 -5.695 671 HD21 LEU 588 HD21 LEU 588 -3.877 1.768 -7.651 672 HD22 LEU 588 HD22 LEU 588 -5.508 1.890 -8.308 673 HD23 LEU 588 HD23 LEU 588 -4.203 1.250 -9.305 674 H LEU 589 HN LEU 589 -0.417 -0.459 -8.566 675 HA LEU 589 HA LEU 589 0.442 -3.272 -8.759 676 HB2 LEU 589 HB2 LEU 589 1.276 -1.824 -10.574 677 HB3 LEU 589 HB1 LEU 589 2.044 -0.791 -9.383 678 HG LEU 589 HG LEU 589 3.495 -2.669 -8.712 679 HD11 LEU 589 HD11 LEU 589 2.127 -4.099 -10.982 680 HD12 LEU 589 HD12 LEU 589 2.048 -4.524 -9.272 681 HD13 LEU 589 HD13 LEU 589 3.571 -4.669 -10.148 682 HD21 LEU 589 HD21 LEU 589 4.871 -2.696 -10.732 683 HD22 LEU 589 HD22 LEU 589 4.260 -1.077 -10.392 684 HD23 LEU 589 HD23 LEU 589 3.519 -2.053 -11.661 685 H ILE 590 HN ILE 590 0.850 -4.082 -6.806 686 HA ILE 590 HA ILE 590 1.984 -2.345 -4.732 687 HB ILE 590 HB ILE 590 0.856 -5.144 -4.466 688 HG12 ILE 590 HG12 ILE 590 -0.342 -2.426 -3.919 689 HG13 ILE 590 HG13 ILE 590 -0.940 -3.658 -5.018 690 HG21 ILE 590 HG21 ILE 590 1.706 -3.155 -2.366 691 HG22 ILE 590 HG22 ILE 590 2.518 -4.667 -2.765 692 HG23 ILE 590 HG23 ILE 590 0.906 -4.694 -2.051 693 HD11 ILE 590 HD11 ILE 590 -2.330 -3.586 -3.071 694 HD12 ILE 590 HD12 ILE 590 -0.933 -3.770 -2.006 695 HD13 ILE 590 HD13 ILE 590 -1.422 -5.099 -3.065 696 H ARG 591 HN ARG 591 4.055 -2.530 -4.107 697 HA ARG 591 HA ARG 591 5.587 -4.946 -4.669 698 HB2 ARG 591 HB2 ARG 591 6.257 -2.249 -5.848 699 HB3 ARG 591 HB3 ARG 591 7.422 -3.557 -5.713 700 HG2 ARG 591 HG2 ARG 591 5.952 -4.958 -7.114 701 HG3 ARG 591 HG3 ARG 591 4.877 -3.573 -7.314 702 HD2 ARG 591 HD2 ARG 591 6.401 -3.821 -9.212 703 HD3 ARG 591 HD3 ARG 591 6.669 -2.308 -8.351 704 HE ARG 591 HE ARG 591 8.520 -3.707 -7.194 705 HH11 ARG 591 HH11 ARG 591 7.569 -3.941 -10.547 706 HH12 ARG 591 HH12 ARG 591 9.152 -4.378 -11.095 707 HH21 ARG 591 HH21 ARG 591 10.598 -4.287 -7.897 708 HH22 ARG 591 HH22 ARG 591 10.881 -4.587 -9.584 709 H MET 592 HN MET 592 7.767 -4.839 -3.681 710 HA MET 592 HA MET 592 7.656 -3.448 -1.130 711 HB2 MET 592 HB2 MET 592 9.696 -5.374 -2.261 712 HB3 MET 592 HB3 MET 592 9.755 -4.695 -0.639 713 HG2 MET 592 HG2 MET 592 7.569 -5.738 -0.164 714 HG3 MET 592 HG3 MET 592 7.613 -6.487 -1.758 715 HE1 MET 592 HE1 MET 592 7.230 -8.846 -0.643 716 HE2 MET 592 HE2 MET 592 7.208 -8.110 0.959 717 HE3 MET 592 HE3 MET 592 8.241 -9.504 0.644 718 H SER 593 HN SER 593 8.871 -1.692 -0.570 719 HA SER 593 HA SER 593 9.949 -0.187 -2.757 720 HB2 SER 593 HB2 SER 593 9.757 0.421 0.191 721 HB3 SER 593 HB3 SER 593 10.327 1.565 -1.027 722 HG SER 593 HG SER 593 8.347 1.858 -1.693 723 H THR 594 HN THR 594 11.931 0.271 -3.256 724 HA THR 594 HA THR 594 14.087 -1.255 -2.037 725 HB THR 594 HB THR 594 15.399 -0.265 -3.992 726 HG1 THR 594 HG1 THR 594 14.342 0.990 -5.388 727 HG21 THR 594 HG21 THR 594 12.948 -1.927 -4.599 728 HG22 THR 594 HG22 THR 594 14.500 -2.543 -4.032 729 HG23 THR 594 HG23 THR 594 14.378 -1.792 -5.623 730 H ARG 595 HN ARG 595 12.788 1.849 -1.741 731 HA ARG 595 HA ARG 595 15.399 3.112 -1.312 732 HB2 ARG 595 HB2 ARG 595 12.695 4.280 -1.930 733 HB3 ARG 595 HB3 ARG 595 14.073 5.262 -1.449 734 HG2 ARG 595 HG2 ARG 595 15.304 4.617 -3.378 735 HG3 ARG 595 HG3 ARG 595 14.091 3.414 -3.819 736 HD2 ARG 595 HD2 ARG 595 13.917 5.446 -5.182 737 HD3 ARG 595 HD3 ARG 595 12.465 5.162 -4.227 738 HE ARG 595 HE ARG 595 14.007 6.852 -2.704 739 HH11 ARG 595 HH11 ARG 595 12.656 6.937 -5.932 740 HH12 ARG 595 HH12 ARG 595 12.462 8.661 -5.945 741 HH21 ARG 595 HH21 ARG 595 13.737 9.120 -2.704 742 HH22 ARG 595 HH22 ARG 595 13.083 9.905 -4.107 743 H TYR 596 HN TYR 596 12.447 2.287 0.348 744 HA TYR 596 HA TYR 596 13.514 3.623 2.742 745 HB2 TYR 596 HB2 TYR 596 10.684 3.596 1.728 746 HB3 TYR 596 HB3 TYR 596 11.060 3.926 3.417 747 HD1 TYR 596 HD1 TYR 596 11.340 5.174 -0.024 748 HD2 TYR 596 HD2 TYR 596 12.120 5.990 4.075 749 HE1 TYR 596 HE1 TYR 596 11.793 7.523 -0.583 750 HE2 TYR 596 HE2 TYR 596 12.576 8.342 3.527 751 HH TYR 596 HH TYR 596 11.826 9.698 0.480 752 H LYS 597 HN LYS 597 13.397 2.629 4.645 753 HA LYS 597 HA LYS 597 12.415 -0.137 4.655 754 HB2 LYS 597 HB2 LYS 597 14.626 1.167 6.233 755 HB3 LYS 597 HB3 LYS 597 13.964 -0.407 6.646 756 HG2 LYS 597 HG2 LYS 597 15.921 -0.810 5.399 757 HG3 LYS 597 HG3 LYS 597 14.568 -1.155 4.322 758 HD2 LYS 597 HD2 LYS 597 14.842 1.098 3.328 759 HD3 LYS 597 HD3 LYS 597 16.252 1.349 4.359 760 HE2 LYS 597 HE2 LYS 597 15.936 -0.794 2.262 761 HE3 LYS 597 HE3 LYS 597 16.921 0.661 2.122 762 HZ1 LYS 597 HZ1 LYS 597 18.223 -0.132 4.031 763 HZ2 LYS 597 HZ2 LYS 597 18.303 -1.187 2.713 764 HZ3 LYS 597 HZ3 LYS 597 17.327 -1.566 4.037 765 H GLU 598 HN GLU 598 11.560 2.895 5.724 766 HA GLU 598 HA GLU 598 9.972 1.749 7.889 767 HB2 GLU 598 HB2 GLU 598 11.999 2.637 8.962 768 HB3 GLU 598 HB3 GLU 598 11.724 4.197 8.202 769 HG2 GLU 598 HG2 GLU 598 9.587 4.375 9.459 770 HG3 GLU 598 HG3 GLU 598 10.007 2.872 10.289 771 H LEU 599 HN LEU 599 8.135 2.910 8.399 772 HA LEU 599 HA LEU 599 7.430 5.109 6.566 773 HB2 LEU 599 HB2 LEU 599 5.592 2.937 7.581 774 HB3 LEU 599 HB1 LEU 599 5.090 4.316 6.624 775 HG LEU 599 HG LEU 599 6.845 2.030 5.742 776 HD11 LEU 599 HD11 LEU 599 4.486 1.514 5.747 777 HD12 LEU 599 HD12 LEU 599 5.063 1.696 4.089 778 HD13 LEU 599 HD13 LEU 599 4.139 2.992 4.849 779 HD21 LEU 599 HD21 LEU 599 6.967 3.116 3.578 780 HD22 LEU 599 HD22 LEU 599 7.688 4.137 4.821 781 HD23 LEU 599 HD23 LEU 599 6.075 4.501 4.203 782 H GLN 600 HN GLN 600 7.070 6.930 7.598 783 HA GLN 600 HA GLN 600 6.131 6.798 10.375 784 HB2 GLN 600 HB2 GLN 600 8.318 7.859 10.179 785 HB3 GLN 600 HB3 GLN 600 7.691 8.977 8.974 786 HG2 GLN 600 HG2 GLN 600 6.155 9.894 10.672 787 HG3 GLN 600 HG3 GLN 600 6.885 8.827 11.869 788 HE21 GLN 600 HE21 GLN 600 7.341 11.621 9.865 789 HE22 GLN 600 HE22 GLN 600 8.751 12.220 10.662 790 H LEU 601 HN LEU 601 4.116 7.488 10.741 791 HA LEU 601 HA LEU 601 2.564 8.584 8.598 792 HB2 LEU 601 HB2 LEU 601 1.853 8.144 11.497 793 HB3 LEU 601 HB1 LEU 601 0.719 8.615 10.247 794 HG LEU 601 HG LEU 601 2.177 5.988 10.496 795 HD11 LEU 601 HD11 LEU 601 -0.084 5.079 10.615 796 HD12 LEU 601 HD12 LEU 601 -0.749 6.708 10.507 797 HD13 LEU 601 HD13 LEU 601 0.214 6.240 11.908 798 HD21 LEU 601 HD21 LEU 601 0.984 5.331 8.442 799 HD22 LEU 601 HD22 LEU 601 2.167 6.606 8.157 800 HD23 LEU 601 HD23 LEU 601 0.450 6.999 8.241 801 H LYS 602 HN LYS 602 3.494 10.558 8.114 802 HA LYS 602 HA LYS 602 3.843 12.636 10.040 803 HB2 LYS 602 HB2 LYS 602 3.622 12.830 7.030 804 HB3 LYS 602 HB3 LYS 602 4.269 14.062 8.103 805 HG2 LYS 602 HG2 LYS 602 6.104 12.574 8.715 806 HG3 LYS 602 HG3 LYS 602 5.446 11.326 7.654 807 HD2 LYS 602 HD2 LYS 602 5.725 12.833 5.732 808 HD3 LYS 602 HD3 LYS 602 6.418 14.055 6.799 809 HE2 LYS 602 HE2 LYS 602 8.240 12.524 7.363 810 HE3 LYS 602 HE3 LYS 602 7.544 11.302 6.301 811 HZ1 LYS 602 HZ1 LYS 602 9.338 12.481 5.210 812 HZ2 LYS 602 HZ2 LYS 602 8.562 13.959 5.456 813 HZ3 LYS 602 HZ3 LYS 602 7.872 12.806 4.429 814 H LYS 603 HN LYS 603 1.152 11.341 8.488 815 HA LYS 603 HA LYS 603 -0.448 13.741 9.078 816 HB2 LYS 603 HB2 LYS 603 -0.835 11.732 6.843 817 HB3 LYS 603 HB3 LYS 603 -1.971 13.011 7.242 818 HG2 LYS 603 HG2 LYS 603 0.865 13.411 6.317 819 HG3 LYS 603 HG3 LYS 603 -0.585 13.605 5.330 820 HD2 LYS 603 HD2 LYS 603 -1.342 15.418 6.766 821 HD3 LYS 603 HD3 LYS 603 0.059 15.194 7.814 822 HE2 LYS 603 HE2 LYS 603 0.465 17.060 6.361 823 HE3 LYS 603 HE3 LYS 603 1.524 15.733 5.900 824 HZ1 LYS 603 HZ1 LYS 603 -0.019 15.200 4.098 825 HZ2 LYS 603 HZ2 LYS 603 0.575 16.779 3.964 826 HZ3 LYS 603 HZ3 LYS 603 -0.992 16.514 4.535 827 HA PRO 604 HA PRO 604 -2.905 11.336 11.844 828 HB2 PRO 604 HB2 PRO 604 -5.461 12.072 11.093 829 HB3 PRO 604 HB1 PRO 604 -4.414 13.007 12.166 830 HG2 PRO 604 HG2 PRO 604 -4.929 13.352 9.242 831 HG3 PRO 604 HG3 PRO 604 -4.754 14.586 10.504 832 HD2 PRO 604 HD2 PRO 604 -2.759 14.041 8.802 833 HD3 PRO 604 HD3 PRO 604 -2.436 14.433 10.504 834 H GLY 605 HN GLY 605 -3.841 9.369 11.962 835 HA2 GLY 605 HA2 GLY 605 -4.834 8.179 9.456 836 HA3 GLY 605 HA3 GLY 605 -3.686 7.325 10.478 837 H LYS 606 HN LYS 606 -6.862 7.566 9.712 838 HA LYS 606 HA LYS 606 -8.068 7.302 12.285 839 HB2 LYS 606 HB2 LYS 606 -10.096 6.660 11.040 840 HB3 LYS 606 HB3 LYS 606 -9.378 8.136 10.418 841 HG2 LYS 606 HG2 LYS 606 -8.492 6.985 8.519 842 HG3 LYS 606 HG3 LYS 606 -8.972 5.422 9.184 843 HD2 LYS 606 HD2 LYS 606 -11.326 6.100 9.056 844 HD3 LYS 606 HD3 LYS 606 -10.839 7.650 8.370 845 HE2 LYS 606 HE2 LYS 606 -10.159 5.004 7.106 846 HE3 LYS 606 HE3 LYS 606 -11.626 5.901 6.725 847 HZ1 LYS 606 HZ1 LYS 606 -10.244 7.762 6.018 848 HZ2 LYS 606 HZ2 LYS 606 -9.904 6.369 5.126 849 HZ3 LYS 606 HZ3 LYS 606 -8.840 6.873 6.346 850 H ASN 607 HN ASN 607 -9.397 5.318 12.835 851 HA ASN 607 HA ASN 607 -7.732 3.126 13.215 852 HB2 ASN 607 HB2 ASN 607 -9.640 3.542 14.649 853 HB3 ASN 607 HB3 ASN 607 -10.748 3.317 13.302 854 HD21 ASN 607 HD21 ASN 607 -8.649 1.745 15.581 855 HD22 ASN 607 HD22 ASN 607 -9.243 0.143 15.313 856 H VAL 608 HN VAL 608 -7.271 1.360 12.092 857 HA VAL 608 HA VAL 608 -8.214 1.269 9.344 858 HB VAL 608 HB VAL 608 -5.908 -0.086 10.748 859 HG11 VAL 608 HG11 VAL 608 -5.218 -0.740 8.405 860 HG12 VAL 608 HG12 VAL 608 -6.880 -0.384 7.926 861 HG13 VAL 608 HG13 VAL 608 -6.557 -1.646 9.108 862 HG21 VAL 608 HG21 VAL 608 -6.015 2.067 8.629 863 HG22 VAL 608 HG22 VAL 608 -4.545 1.339 9.281 864 HG23 VAL 608 HG23 VAL 608 -5.596 2.291 10.329 865 H ALA 609 HN ALA 609 -8.520 -0.513 12.309 866 HA ALA 609 HA ALA 609 -9.374 -2.996 11.322 867 HB1 ALA 609 HB1 ALA 609 -10.465 -3.311 13.483 868 HB2 ALA 609 HB2 ALA 609 -10.290 -1.590 13.829 869 HB3 ALA 609 HB3 ALA 609 -8.859 -2.610 13.681 870 H ALA 610 HN ALA 610 -11.079 0.041 11.718 871 HA ALA 610 HA ALA 610 -13.697 -0.865 11.205 872 HB1 ALA 610 HB1 ALA 610 -14.196 1.460 10.647 873 HB2 ALA 610 HB2 ALA 610 -12.471 1.819 10.570 874 HB3 ALA 610 HB3 ALA 610 -13.209 1.358 12.104 875 H ILE 611 HN ILE 611 -10.976 -0.228 9.153 876 HA ILE 611 HA ILE 611 -12.416 -0.142 6.691 877 HB ILE 611 HB ILE 611 -9.482 -0.696 7.213 878 HG12 ILE 611 HG12 ILE 611 -10.899 1.838 6.348 879 HG13 ILE 611 HG13 ILE 611 -10.296 1.525 7.971 880 HG21 ILE 611 HG21 ILE 611 -10.226 -1.553 5.029 881 HG22 ILE 611 HG22 ILE 611 -9.130 -0.182 4.862 882 HG23 ILE 611 HG23 ILE 611 -10.863 0.044 4.631 883 HD11 ILE 611 HD11 ILE 611 -8.764 2.949 6.788 884 HD12 ILE 611 HD12 ILE 611 -8.656 1.791 5.464 885 HD13 ILE 611 HD13 ILE 611 -8.009 1.373 7.049 886 H ILE 612 HN ILE 612 -10.952 -2.678 8.664 887 HA ILE 612 HA ILE 612 -11.257 -4.843 6.924 888 HB ILE 612 HB ILE 612 -11.771 -4.883 9.909 889 HG12 ILE 612 HG12 ILE 612 -9.188 -5.407 8.424 890 HG13 ILE 612 HG13 ILE 612 -9.547 -3.937 9.325 891 HG21 ILE 612 HG21 ILE 612 -11.005 -7.082 7.995 892 HG22 ILE 612 HG22 ILE 612 -12.573 -6.875 8.773 893 HG23 ILE 612 HG23 ILE 612 -11.150 -7.253 9.744 894 HD11 ILE 612 HD11 ILE 612 -9.333 -6.713 10.464 895 HD12 ILE 612 HD12 ILE 612 -9.720 -5.256 11.379 896 HD13 ILE 612 HD13 ILE 612 -8.140 -5.423 10.613 897 H GLN 613 HN GLN 613 -13.542 -3.330 9.157 898 HA GLN 613 HA GLN 613 -15.741 -5.027 8.605 899 HB2 GLN 613 HB2 GLN 613 -15.800 -2.121 9.449 900 HB3 GLN 613 HB3 GLN 613 -17.111 -3.279 9.614 901 HG2 GLN 613 HG2 GLN 613 -14.458 -3.376 11.033 902 HG3 GLN 613 HG3 GLN 613 -16.008 -2.922 11.738 903 HE21 GLN 613 HE21 GLN 613 -14.030 -5.531 10.608 904 HE22 GLN 613 HE22 GLN 613 -14.985 -6.811 11.243 905 H ASP 614 HN ASP 614 -14.419 -2.229 7.070 906 HA ASP 614 HA ASP 614 -16.566 -1.615 5.324 907 HB2 ASP 614 HB2 ASP 614 -14.799 0.012 5.768 908 HB3 ASP 614 HB3 ASP 614 -13.605 -1.054 5.037 909 H ILE 615 HN ILE 615 -13.653 -3.591 4.934 910 HA ILE 615 HA ILE 615 -14.064 -4.416 2.283 911 HB ILE 615 HB ILE 615 -12.738 -5.900 4.560 912 HG12 ILE 615 HG12 ILE 615 -11.484 -4.208 2.398 913 HG13 ILE 615 HG13 ILE 615 -11.852 -3.615 4.016 914 HG21 ILE 615 HG21 ILE 615 -13.302 -7.373 2.688 915 HG22 ILE 615 HG22 ILE 615 -11.560 -7.151 2.838 916 HG23 ILE 615 HG23 ILE 615 -12.453 -6.292 1.584 917 HD11 ILE 615 HD11 ILE 615 -9.971 -5.844 3.320 918 HD12 ILE 615 HD12 ILE 615 -10.369 -5.320 4.953 919 HD13 ILE 615 HD13 ILE 615 -9.536 -4.224 3.854 920 H HIS 616 HN HIS 616 -14.975 -5.905 5.359 921 HA HIS 616 HA HIS 616 -16.206 -8.191 4.260 922 HB2 HIS 616 HB2 HIS 616 -16.580 -6.845 6.940 923 HB3 HIS 616 HB3 HIS 616 -17.303 -8.391 6.516 924 HD1 HIS 616 HD1 HIS 616 -15.554 -8.572 8.856 925 HD2 HIS 616 HD2 HIS 616 -14.009 -8.786 5.003 926 HE1 HIS 616 HE1 HIS 616 -13.340 -9.747 9.075 927 HE2 HIS 616 HE2 HIS 616 -12.508 -10.011 6.713 928 H SER 617 HN SER 617 -17.452 -4.986 5.027 929 HA SER 617 HA SER 617 -20.172 -5.695 4.588 930 HB2 SER 617 HB2 SER 617 -19.545 -3.792 6.018 931 HB3 SER 617 HB3 SER 617 -18.884 -2.958 4.611 932 HG SER 617 HG SER 617 -20.949 -2.206 4.921 933 H GLN 618 HN GLN 618 -17.595 -4.351 2.634 934 HA GLN 618 HA GLN 618 -17.293 -4.132 0.405 935 HB2 GLN 618 HB2 GLN 618 -19.699 -5.929 0.344 936 HB3 GLN 618 HB3 GLN 618 -18.941 -5.343 -1.132 937 HG2 GLN 618 HG2 GLN 618 -16.832 -6.375 -0.457 938 HG3 GLN 618 HG3 GLN 618 -17.597 -6.971 1.014 939 HE21 GLN 618 HE21 GLN 618 -17.412 -7.270 -2.443 940 HE22 GLN 618 HE22 GLN 618 -18.178 -8.816 -2.551 941 H ARG 619 HN ARG 619 -19.291 -2.477 2.052 942 HA ARG 619 HA ARG 619 -20.588 -1.128 -0.216 943 HB2 ARG 619 HB2 ARG 619 -21.169 -0.907 2.745 944 HB3 ARG 619 HB3 ARG 619 -22.026 -0.050 1.474 945 HG2 ARG 619 HG2 ARG 619 -22.855 -2.143 0.581 946 HG3 ARG 619 HG3 ARG 619 -21.939 -3.042 1.793 947 HD2 ARG 619 HD2 ARG 619 -24.222 -2.888 2.513 948 HD3 ARG 619 HD3 ARG 619 -23.227 -1.878 3.560 949 HE ARG 619 HE ARG 619 -24.960 -0.853 1.400 950 HH11 ARG 619 HH11 ARG 619 -23.312 -0.419 4.464 951 HH12 ARG 619 HH12 ARG 619 -24.123 1.067 4.832 952 HH21 ARG 619 HH21 ARG 619 -26.038 1.101 1.902 953 HH22 ARG 619 HH22 ARG 619 -25.683 1.923 3.388 954 H GLU 620 HN GLU 620 -19.025 0.213 -0.972 955 HA GLU 620 HA GLU 620 -17.304 1.657 0.828 956 HB2 GLU 620 HB2 GLU 620 -16.362 2.666 -1.244 957 HB3 GLU 620 HB3 GLU 620 -16.329 0.913 -1.236 958 HG2 GLU 620 HG2 GLU 620 -18.478 2.482 -2.631 959 HG3 GLU 620 HG3 GLU 620 -16.957 2.051 -3.406 960 H ARG 621 HN ARG 621 -19.281 2.560 1.890 961 HA ARG 621 HA ARG 621 -20.168 5.020 0.533 962 HB2 ARG 621 HB2 ARG 621 -21.934 3.290 0.985 963 HB3 ARG 621 HB3 ARG 621 -21.626 3.499 2.700 964 HG2 ARG 621 HG2 ARG 621 -22.342 5.803 2.587 965 HG3 ARG 621 HG3 ARG 621 -22.558 5.674 0.840 966 HD2 ARG 621 HD2 ARG 621 -24.072 4.135 2.945 967 HD3 ARG 621 HD3 ARG 621 -24.691 5.481 1.994 968 HE ARG 621 HE ARG 621 -23.730 3.179 0.500 969 HH11 ARG 621 HH11 ARG 621 -26.466 4.878 1.857 970 HH12 ARG 621 HH12 ARG 621 -27.627 4.083 0.845 971 HH21 ARG 621 HH21 ARG 621 -25.245 2.121 -0.842 972 HH22 ARG 621 HH22 ARG 621 -26.932 2.509 -0.699 Start of MODEL 18 1 HO5' ADN 1 H5T ADE 1 8.987 -2.295 -15.358 2 H5'1 ADN 1 H5' ADE 1 8.148 -0.426 -16.163 3 H5'2 ADN 1 H5'' ADE 1 9.755 0.317 -16.131 4 H4' ADN 1 H4' ADE 1 7.926 0.780 -14.280 5 H3' ADN 1 H3' ADE 1 10.513 1.514 -14.427 6 H2' ADN 1 H2' ADE 1 11.479 -0.441 -13.420 7 HO2' ADN 1 HO2' ADE 1 10.653 0.882 -11.047 8 H1' ADN 1 H1' ADE 1 9.171 -0.519 -11.402 9 H8 ADN 1 H8 ADE 1 9.450 -3.381 -13.691 10 HN61 ADN 1 H61 ADE 1 12.126 -6.411 -10.995 11 HN62 ADN 1 H62 ADE 1 13.015 -6.218 -9.500 12 H2 ADN 1 H2 ADE 1 12.508 -1.949 -8.233 13 H5' U 2 H5' URI 2 9.683 6.393 -12.262 14 H5'' U 2 H5'' URI 2 10.676 5.604 -11.022 15 H4' U 2 H4' URI 2 8.902 7.281 -10.279 16 H3' U 2 H3' URI 2 10.009 5.326 -8.814 17 H2' U 2 H2' URI 2 8.448 3.568 -9.355 18 HO2' U 2 HO2' URI 2 7.657 5.037 -7.092 19 H1' U 2 H1' URI 2 6.149 5.583 -9.126 20 H3 U 2 H3 URI 2 3.015 2.928 -10.769 21 H5 U 2 H5 URI 2 6.511 1.257 -12.381 22 H6 U 2 H6 URI 2 7.758 2.995 -11.276 23 H5' C 3 H5' CYT 3 7.645 8.371 -6.165 24 H5'' C 3 H5'' CYT 3 8.577 9.413 -5.073 25 H4' C 3 H4' CYT 3 7.211 7.719 -3.919 26 H3' C 3 H3' CYT 3 9.708 8.499 -3.153 27 H2' C 3 H2' CYT 3 10.920 6.622 -4.009 28 HO2' C 3 HO2' CYT 3 9.899 6.059 -1.449 29 H1' C 3 H1' CYT 3 8.552 4.816 -3.260 30 H41 C 3 H41 CYT 3 12.354 1.789 -7.776 31 H42 C 3 H42 CYT 3 11.627 0.554 -6.774 32 H5 C 3 H5 CYT 3 11.934 4.159 -7.452 33 H6 C 3 H6 CYT 3 10.762 5.805 -6.089 34 H5' U 4 H5' URI 4 7.233 11.351 -1.374 35 H5'' U 4 H5'' URI 4 8.139 11.087 0.129 36 H4' U 4 H4' URI 4 5.208 11.281 -0.337 37 H3' U 4 H3' URI 4 6.794 13.096 0.820 38 H2' U 4 H2' URI 4 7.693 11.606 2.529 39 HO2' U 4 HO2' URI 4 6.082 12.013 4.410 40 H1' U 4 H1' URI 4 4.810 10.624 2.960 41 H3 U 4 H3 URI 4 6.994 8.766 6.574 42 H5 U 4 H5 URI 4 8.249 6.628 3.187 43 H6 U 4 H6 URI 4 7.155 8.293 1.833 44 H5' U 5 H5' URI 5 3.094 12.260 -0.469 45 H5'' U 5 H5'' URI 5 2.388 13.455 -1.574 46 H4' U 5 H4' URI 5 0.509 12.407 -0.954 47 H3' U 5 H3' URI 5 0.599 14.851 0.240 48 H2' U 5 H2' URI 5 1.249 14.084 2.434 49 HO2' U 5 HO2' URI 5 -0.657 14.943 3.053 50 H1' U 5 H1' URI 5 -0.575 11.654 1.961 51 H3 U 5 H3 URI 5 0.266 9.785 5.888 52 H5 U 5 H5 URI 5 3.960 11.539 4.927 53 H6 U 5 H6 URI 5 2.944 12.400 2.920 54 H5' A 6 H5' ADE 6 -4.357 16.040 -1.073 55 H5'' A 6 H5'' ADE 6 -3.540 16.568 -2.555 56 H4' A 6 H4' ADE 6 -3.770 17.870 0.066 57 H3' A 6 H3' ADE 6 -4.550 18.739 -2.333 58 HO3' A 6 H3T ADE 6 -5.078 20.103 -0.898 59 H2' A 6 H2' ADE 6 -2.349 18.672 -3.374 60 HO2' A 6 HO2' ADE 6 -1.933 21.201 -2.305 61 H1' A 6 H1' ADE 6 -1.271 20.000 -0.816 62 H8 A 6 H8 ADE 6 -0.130 19.803 -3.993 63 H61 A 6 H61 ADE 6 4.286 17.814 -3.633 64 H62 A 6 H62 ADE 6 5.091 16.895 -2.381 65 H2 A 6 H2 ADE 6 2.180 16.501 1.006 66 H1 GLY 510 HT1 GLY 510 11.514 -15.016 4.384 67 H2 GLY 510 HT2 GLY 510 11.559 -13.394 3.925 68 H3 GLY 510 HT3 GLY 510 12.966 -14.323 3.867 69 HA2 GLY 510 HA3 GLY 510 11.946 -15.742 2.160 70 HA3 GLY 510 HA2 GLY 510 10.555 -14.670 2.177 71 H ALA 511 HN ALA 511 12.487 -12.351 2.643 72 HA ALA 511 HA ALA 511 12.883 -11.815 -0.177 73 HB1 ALA 511 HB1 ALA 511 13.386 -9.540 0.535 74 HB2 ALA 511 HB2 ALA 511 13.364 -10.051 2.223 75 HB3 ALA 511 HB3 ALA 511 11.883 -10.108 1.266 76 H MET 512 HN MET 512 14.725 -12.164 -1.203 77 HA MET 512 HA MET 512 17.119 -12.888 0.239 78 HB2 MET 512 HB2 MET 512 18.069 -13.413 -1.905 79 HB3 MET 512 HB3 MET 512 16.425 -14.027 -1.876 80 HG2 MET 512 HG2 MET 512 17.291 -11.459 -3.183 81 HG3 MET 512 HG3 MET 512 17.041 -12.989 -4.017 82 HE1 MET 512 HE1 MET 512 14.734 -14.083 -4.469 83 HE2 MET 512 HE2 MET 512 13.211 -13.526 -3.777 84 HE3 MET 512 HE3 MET 512 14.457 -14.206 -2.732 85 H ALA 513 HN ALA 513 15.768 -10.075 -1.106 86 HA ALA 513 HA ALA 513 18.195 -8.574 -0.468 87 HB1 ALA 513 HB1 ALA 513 18.241 -8.890 -2.897 88 HB2 ALA 513 HB2 ALA 513 17.952 -7.200 -2.485 89 HB3 ALA 513 HB3 ALA 513 16.615 -8.217 -3.020 90 H GLN 514 HN GLN 514 17.743 -6.317 -0.015 91 HA GLN 514 HA GLN 514 16.602 -4.649 1.004 92 HB2 GLN 514 HB2 GLN 514 14.331 -5.898 -0.519 93 HB3 GLN 514 HB3 GLN 514 14.071 -4.548 0.574 94 HG2 GLN 514 HG2 GLN 514 16.029 -4.474 -1.702 95 HG3 GLN 514 HG3 GLN 514 14.351 -3.946 -1.838 96 HE21 GLN 514 HE21 GLN 514 16.795 -2.396 -2.140 97 HE22 GLN 514 HE22 GLN 514 16.703 -1.126 -0.977 98 H ARG 515 HN ARG 515 16.569 -4.719 3.122 99 HA ARG 515 HA ARG 515 15.600 -6.956 4.594 100 HB2 ARG 515 HB2 ARG 515 16.443 -4.203 5.490 101 HB3 ARG 515 HB3 ARG 515 16.058 -5.520 6.586 102 HG2 ARG 515 HG2 ARG 515 17.899 -6.821 5.751 103 HG3 ARG 515 HG3 ARG 515 18.239 -5.607 4.517 104 HD2 ARG 515 HD2 ARG 515 19.772 -5.440 6.424 105 HD3 ARG 515 HD3 ARG 515 18.803 -3.986 6.224 106 HE ARG 515 HE ARG 515 17.344 -5.149 8.033 107 HH11 ARG 515 HH11 ARG 515 20.830 -5.232 7.830 108 HH12 ARG 515 HH12 ARG 515 21.057 -5.327 9.546 109 HH21 ARG 515 HH21 ARG 515 17.631 -5.282 10.292 110 HH22 ARG 515 HH22 ARG 515 19.236 -5.358 10.949 111 H LYS 516 HN LYS 516 13.589 -7.385 5.165 112 HA LYS 516 HA LYS 516 11.725 -5.171 5.616 113 HB2 LYS 516 HB2 LYS 516 11.171 -7.573 3.860 114 HB3 LYS 516 HB3 LYS 516 9.951 -6.422 4.386 115 HG2 LYS 516 HG2 LYS 516 12.370 -5.698 2.742 116 HG3 LYS 516 HG3 LYS 516 10.773 -6.044 2.076 117 HD2 LYS 516 HD2 LYS 516 9.821 -4.146 3.147 118 HD3 LYS 516 HD3 LYS 516 11.260 -3.902 4.139 119 HE2 LYS 516 HE2 LYS 516 11.215 -3.672 1.133 120 HE3 LYS 516 HE3 LYS 516 11.036 -2.304 2.232 121 HZ1 LYS 516 HZ1 LYS 516 13.220 -2.805 3.144 122 HZ2 LYS 516 HZ2 LYS 516 13.321 -2.534 1.474 123 HZ3 LYS 516 HZ3 LYS 516 13.388 -4.109 2.087 124 H GLY 517 HN GLY 517 13.010 -6.544 7.595 125 HA2 GLY 517 HA2 GLY 517 10.971 -8.386 8.659 126 HA3 GLY 517 HA3 GLY 517 12.618 -8.231 9.259 127 H ALA 518 HN ALA 518 13.159 -6.492 10.603 128 HA ALA 518 HA ALA 518 10.929 -5.188 11.938 129 HB1 ALA 518 HB1 ALA 518 12.629 -4.358 13.501 130 HB2 ALA 518 HB2 ALA 518 13.895 -5.062 12.498 131 HB3 ALA 518 HB3 ALA 518 12.733 -6.108 13.310 132 H GLY 519 HN GLY 519 10.147 -3.711 10.508 133 HA2 GLY 519 HA2 GLY 519 10.298 -1.385 9.813 134 HA3 GLY 519 HA3 GLY 519 12.026 -1.634 9.546 135 H ARG 520 HN ARG 520 8.919 -1.733 8.131 136 HA ARG 520 HA ARG 520 10.114 -2.866 5.692 137 HB2 ARG 520 HB2 ARG 520 7.280 -3.456 6.488 138 HB3 ARG 520 HB3 ARG 520 8.256 -4.243 5.261 139 HG2 ARG 520 HG2 ARG 520 9.635 -5.252 7.021 140 HG3 ARG 520 HG3 ARG 520 8.615 -4.479 8.241 141 HD2 ARG 520 HD2 ARG 520 8.007 -6.738 6.404 142 HD3 ARG 520 HD3 ARG 520 7.600 -6.531 8.109 143 HE ARG 520 HE ARG 520 5.891 -4.922 7.393 144 HH11 ARG 520 HH11 ARG 520 7.141 -7.182 5.027 145 HH12 ARG 520 HH12 ARG 520 5.806 -6.979 3.947 146 HH21 ARG 520 HH21 ARG 520 4.176 -4.610 5.981 147 HH22 ARG 520 HH22 ARG 520 4.081 -5.507 4.496 148 H VAL 521 HN VAL 521 9.648 -1.773 3.907 149 HA VAL 521 HA VAL 521 7.320 0.018 3.926 150 HB VAL 521 HB VAL 521 9.843 0.382 2.320 151 HG11 VAL 521 HG11 VAL 521 7.942 1.052 1.002 152 HG12 VAL 521 HG12 VAL 521 8.797 2.485 1.575 153 HG13 VAL 521 HG13 VAL 521 7.300 1.979 2.354 154 HG21 VAL 521 HG21 VAL 521 9.991 2.483 3.633 155 HG22 VAL 521 HG22 VAL 521 10.169 1.018 4.598 156 HG23 VAL 521 HG23 VAL 521 8.644 1.902 4.612 157 H VAL 522 HN VAL 522 5.718 -0.558 2.662 158 HA VAL 522 HA VAL 522 6.320 -2.097 0.221 159 HB VAL 522 HB VAL 522 3.726 -2.201 1.770 160 HG11 VAL 522 HG11 VAL 522 3.463 -2.690 -0.583 161 HG12 VAL 522 HG12 VAL 522 3.277 -4.172 0.358 162 HG13 VAL 522 HG13 VAL 522 4.778 -3.864 -0.515 163 HG21 VAL 522 HG21 VAL 522 5.977 -4.208 1.759 164 HG22 VAL 522 HG22 VAL 522 4.397 -4.436 2.510 165 HG23 VAL 522 HG23 VAL 522 5.491 -3.193 3.117 166 H HIS 523 HN HIS 523 5.847 -0.955 -1.613 167 HA HIS 523 HA HIS 523 4.313 1.508 -1.246 168 HB2 HIS 523 HB2 HIS 523 6.636 1.787 -1.936 169 HB3 HIS 523 HB3 HIS 523 6.395 0.689 -3.284 170 HD1 HIS 523 HD1 HIS 523 5.773 1.723 -5.447 171 HD2 HIS 523 HD2 HIS 523 5.174 4.312 -2.253 172 HE1 HIS 523 HE1 HIS 523 5.249 3.950 -6.476 173 HE2 HIS 523 HE2 HIS 523 5.136 5.540 -4.529 174 H ILE 524 HN ILE 524 2.511 1.836 -2.321 175 HA ILE 524 HA ILE 524 1.728 -0.077 -4.419 176 HB ILE 524 HB ILE 524 -0.064 1.665 -2.708 177 HG12 ILE 524 HG12 ILE 524 0.607 -1.276 -2.508 178 HG13 ILE 524 HG13 ILE 524 0.976 -0.029 -1.327 179 HG21 ILE 524 HG21 ILE 524 -1.073 1.210 -4.841 180 HG22 ILE 524 HG22 ILE 524 -1.873 0.226 -3.615 181 HG23 ILE 524 HG23 ILE 524 -0.695 -0.506 -4.702 182 HD11 ILE 524 HD11 ILE 524 -1.777 -0.973 -2.081 183 HD12 ILE 524 HD12 ILE 524 -1.394 0.259 -0.877 184 HD13 ILE 524 HD13 ILE 524 -0.886 -1.413 -0.622 185 H CYS 525 HN CYS 525 1.031 0.806 -6.385 186 HA CYS 525 HA CYS 525 1.067 3.706 -6.608 187 HB2 CYS 525 HB2 CYS 525 2.612 3.436 -8.642 188 HB3 CYS 525 HB3 CYS 525 3.330 3.346 -7.037 189 HG CYS 525 HG CYS 525 2.734 0.316 -7.469 190 H ASN 526 HN ASN 526 0.474 4.463 -8.740 191 HA ASN 526 HA ASN 526 -0.641 4.461 -10.726 192 HB2 ASN 526 HB2 ASN 526 -1.012 1.498 -10.258 193 HB3 ASN 526 HB3 ASN 526 -1.661 2.355 -11.651 194 HD21 ASN 526 HD21 ASN 526 0.304 0.187 -11.501 195 HD22 ASN 526 HD22 ASN 526 1.726 0.784 -12.286 196 H LEU 527 HN LEU 527 -1.613 5.018 -8.119 197 HA LEU 527 HA LEU 527 -4.430 4.305 -8.156 198 HB2 LEU 527 HB2 LEU 527 -2.762 6.032 -6.328 199 HB3 LEU 527 HB1 LEU 527 -4.500 5.895 -6.170 200 HG LEU 527 HG LEU 527 -2.625 3.536 -5.976 201 HD11 LEU 527 HD11 LEU 527 -3.831 5.222 -3.785 202 HD12 LEU 527 HD12 LEU 527 -2.118 5.084 -4.177 203 HD13 LEU 527 HD13 LEU 527 -2.994 3.688 -3.543 204 HD21 LEU 527 HD21 LEU 527 -4.555 2.455 -4.949 205 HD22 LEU 527 HD22 LEU 527 -4.935 3.011 -6.578 206 HD23 LEU 527 HD23 LEU 527 -5.507 3.921 -5.180 207 HA PRO 528 HA PRO 528 -5.240 7.846 -10.694 208 HB2 PRO 528 HB2 PRO 528 -8.051 7.736 -10.075 209 HB3 PRO 528 HB1 PRO 528 -7.235 7.237 -11.554 210 HG2 PRO 528 HG2 PRO 528 -8.445 5.518 -9.762 211 HG3 PRO 528 HG3 PRO 528 -7.202 5.055 -10.934 212 HD2 PRO 528 HD2 PRO 528 -6.967 5.546 -8.011 213 HD3 PRO 528 HD3 PRO 528 -6.074 4.417 -9.050 214 H GLU 529 HN GLU 529 -5.165 9.954 -10.288 215 HA GLU 529 HA GLU 529 -5.362 11.015 -7.683 216 HB2 GLU 529 HB2 GLU 529 -3.940 11.956 -9.464 217 HB3 GLU 529 HB3 GLU 529 -5.381 12.421 -10.358 218 HG2 GLU 529 HG2 GLU 529 -6.006 13.913 -8.487 219 HG3 GLU 529 HG3 GLU 529 -4.482 13.501 -7.698 220 H GLY 530 HN GLY 530 -7.017 12.136 -6.655 221 HA2 GLY 530 HA2 GLY 530 -9.177 12.882 -6.311 222 HA3 GLY 530 HA3 GLY 530 -9.496 12.662 -8.027 223 H SER 531 HN SER 531 -8.111 9.887 -6.829 224 HA SER 531 HA SER 531 -10.645 8.646 -6.107 225 HB2 SER 531 HB2 SER 531 -8.894 7.674 -8.373 226 HB3 SER 531 HB3 SER 531 -10.328 6.851 -7.762 227 HG SER 531 HG SER 531 -11.235 7.981 -9.311 228 H CYS 532 HN CYS 532 -7.814 9.304 -5.079 229 HA CYS 532 HA CYS 532 -6.858 6.632 -4.382 230 HB2 CYS 532 HB2 CYS 532 -5.699 9.333 -3.633 231 HB3 CYS 532 HB3 CYS 532 -4.921 7.766 -3.421 232 HG CYS 532 HG CYS 532 -5.751 8.365 -6.594 233 H THR 533 HN THR 533 -8.485 5.938 -2.932 234 HA THR 533 HA THR 533 -8.966 7.680 -0.618 235 HB THR 533 HB THR 533 -10.856 6.282 -0.104 236 HG1 THR 533 HG1 THR 533 -11.077 4.477 -1.940 237 HG21 THR 533 HG21 THR 533 -10.730 6.676 -3.098 238 HG22 THR 533 HG22 THR 533 -11.244 7.880 -1.916 239 HG23 THR 533 HG23 THR 533 -12.198 6.416 -2.156 240 H GLU 534 HN GLU 534 -8.555 6.916 1.483 241 HA GLU 534 HA GLU 534 -6.385 5.108 1.758 242 HB2 GLU 534 HB2 GLU 534 -8.253 6.095 3.915 243 HB3 GLU 534 HB3 GLU 534 -6.648 5.420 4.137 244 HG2 GLU 534 HG2 GLU 534 -5.656 7.324 2.941 245 HG3 GLU 534 HG3 GLU 534 -7.275 7.989 2.695 246 H ASN 535 HN ASN 535 -9.803 4.899 1.914 247 HA ASN 535 HA ASN 535 -10.048 2.491 3.329 248 HB2 ASN 535 HB2 ASN 535 -11.932 3.966 3.135 249 HB3 ASN 535 HB3 ASN 535 -11.900 3.864 1.380 250 HD21 ASN 535 HD21 ASN 535 -12.970 2.262 0.387 251 HD22 ASN 535 HD22 ASN 535 -13.851 1.022 1.203 252 H ASP 536 HN ASP 536 -9.939 3.091 -0.222 253 HA ASP 536 HA ASP 536 -10.442 0.331 -0.820 254 HB2 ASP 536 HB2 ASP 536 -9.501 2.642 -2.512 255 HB3 ASP 536 HB3 ASP 536 -9.631 1.009 -3.156 256 H VAL 537 HN VAL 537 -7.611 2.341 -0.668 257 HA VAL 537 HA VAL 537 -5.696 0.505 -1.633 258 HB VAL 537 HB VAL 537 -5.231 2.696 0.420 259 HG11 VAL 537 HG11 VAL 537 -3.364 1.076 0.187 260 HG12 VAL 537 HG12 VAL 537 -2.941 2.710 -0.337 261 HG13 VAL 537 HG13 VAL 537 -3.292 1.462 -1.535 262 HG21 VAL 537 HG21 VAL 537 -5.148 2.768 -2.595 263 HG22 VAL 537 HG22 VAL 537 -4.619 4.072 -1.531 264 HG23 VAL 537 HG23 VAL 537 -6.314 3.583 -1.551 265 H ILE 538 HN ILE 538 -6.725 1.237 1.680 266 HA ILE 538 HA ILE 538 -5.223 -0.849 2.864 267 HB ILE 538 HB ILE 538 -7.583 0.703 3.903 268 HG12 ILE 538 HG12 ILE 538 -4.620 0.803 4.488 269 HG13 ILE 538 HG13 ILE 538 -5.548 2.004 3.594 270 HG21 ILE 538 HG21 ILE 538 -6.960 -0.241 6.108 271 HG22 ILE 538 HG22 ILE 538 -5.848 -1.337 5.286 272 HG23 ILE 538 HG23 ILE 538 -7.581 -1.449 4.986 273 HD11 ILE 538 HD11 ILE 538 -6.774 2.600 5.559 274 HD12 ILE 538 HD12 ILE 538 -5.047 2.651 5.926 275 HD13 ILE 538 HD13 ILE 538 -6.027 1.288 6.472 276 H ASN 539 HN ASN 539 -8.525 -0.707 1.549 277 HA ASN 539 HA ASN 539 -9.428 -3.157 2.515 278 HB2 ASN 539 HB2 ASN 539 -10.076 -1.873 -0.144 279 HB3 ASN 539 HB3 ASN 539 -10.866 -3.318 0.466 280 HD21 ASN 539 HD21 ASN 539 -10.745 -2.116 3.243 281 HD22 ASN 539 HD22 ASN 539 -12.045 -0.994 3.261 282 H LEU 540 HN LEU 540 -7.165 -2.458 -0.033 283 HA LEU 540 HA LEU 540 -7.077 -5.147 -1.012 284 HB2 LEU 540 HB2 LEU 540 -5.058 -2.911 -1.175 285 HB3 LEU 540 HB1 LEU 540 -4.954 -4.421 -2.059 286 HG LEU 540 HG LEU 540 -7.089 -2.317 -2.394 287 HD11 LEU 540 HD11 LEU 540 -6.046 -2.076 -4.631 288 HD12 LEU 540 HD12 LEU 540 -4.732 -3.120 -4.083 289 HD13 LEU 540 HD13 LEU 540 -5.012 -1.565 -3.298 290 HD21 LEU 540 HD21 LEU 540 -8.004 -4.528 -2.792 291 HD22 LEU 540 HD22 LEU 540 -6.648 -4.922 -3.850 292 HD23 LEU 540 HD23 LEU 540 -7.799 -3.673 -4.321 293 H GLY 541 HN GLY 541 -5.168 -3.221 1.284 294 HA2 GLY 541 HA2 GLY 541 -3.281 -5.162 1.935 295 HA3 GLY 541 HA3 GLY 541 -3.765 -3.827 2.969 296 H LEU 542 HN LEU 542 -6.317 -4.480 3.684 297 HA LEU 542 HA LEU 542 -5.627 -5.981 5.919 298 HB2 LEU 542 HB2 LEU 542 -8.259 -5.046 4.882 299 HB3 LEU 542 HB1 LEU 542 -8.146 -5.989 6.356 300 HG LEU 542 HG LEU 542 -6.658 -3.405 5.916 301 HD11 LEU 542 HD11 LEU 542 -9.266 -3.897 7.337 302 HD12 LEU 542 HD12 LEU 542 -9.032 -2.956 5.867 303 HD13 LEU 542 HD13 LEU 542 -8.342 -2.396 7.388 304 HD21 LEU 542 HD21 LEU 542 -7.197 -5.075 8.363 305 HD22 LEU 542 HD22 LEU 542 -6.408 -3.498 8.360 306 HD23 LEU 542 HD23 LEU 542 -5.649 -4.867 7.551 307 HA PRO 543 HA PRO 543 -8.379 -9.652 4.209 308 HB2 PRO 543 HB2 PRO 543 -7.608 -9.407 1.342 309 HB3 PRO 543 HB1 PRO 543 -9.137 -9.934 2.057 310 HG2 PRO 543 HG2 PRO 543 -8.976 -7.528 0.996 311 HG3 PRO 543 HG3 PRO 543 -9.802 -7.744 2.557 312 HD2 PRO 543 HD2 PRO 543 -7.019 -6.740 2.013 313 HD3 PRO 543 HD3 PRO 543 -8.252 -6.088 3.113 314 H PHE 544 HN PHE 544 -5.221 -8.712 2.883 315 HA PHE 544 HA PHE 544 -4.367 -11.508 3.059 316 HB2 PHE 544 HB2 PHE 544 -2.972 -9.101 1.885 317 HB3 PHE 544 HB3 PHE 544 -2.320 -10.734 1.896 318 HD1 PHE 544 HD1 PHE 544 -3.424 -12.502 0.569 319 HD2 PHE 544 HD2 PHE 544 -4.566 -8.414 0.284 320 HE1 PHE 544 HE1 PHE 544 -4.559 -12.971 -1.558 321 HE2 PHE 544 HE2 PHE 544 -5.704 -8.875 -1.848 322 HZ PHE 544 HZ PHE 544 -5.696 -11.133 -2.780 323 H GLY 545 HN GLY 545 -4.324 -8.675 4.888 324 HA2 GLY 545 HA2 GLY 545 -2.940 -9.782 7.033 325 HA3 GLY 545 HA3 GLY 545 -1.770 -8.863 6.097 326 H LYS 546 HN LYS 546 -2.715 -8.367 8.803 327 HA LYS 546 HA LYS 546 -4.597 -6.263 8.828 328 HB2 LYS 546 HB2 LYS 546 -4.058 -7.632 10.800 329 HB3 LYS 546 HB3 LYS 546 -2.447 -6.933 10.843 330 HG2 LYS 546 HG2 LYS 546 -3.319 -4.781 11.403 331 HG3 LYS 546 HG3 LYS 546 -4.976 -5.329 11.135 332 HD2 LYS 546 HD2 LYS 546 -4.775 -6.893 12.990 333 HD3 LYS 546 HD3 LYS 546 -3.103 -6.399 13.244 334 HE2 LYS 546 HE2 LYS 546 -5.475 -4.551 13.453 335 HE3 LYS 546 HE3 LYS 546 -4.725 -5.364 14.824 336 HZ1 LYS 546 HZ1 LYS 546 -2.625 -4.240 14.216 337 HZ2 LYS 546 HZ2 LYS 546 -3.853 -3.169 14.663 338 HZ3 LYS 546 HZ3 LYS 546 -3.463 -3.367 13.032 339 H VAL 547 HN VAL 547 -4.407 -4.202 8.388 340 HA VAL 547 HA VAL 547 -1.859 -3.128 7.524 341 HB VAL 547 HB VAL 547 -4.672 -2.024 7.413 342 HG11 VAL 547 HG11 VAL 547 -2.967 -0.225 7.619 343 HG12 VAL 547 HG12 VAL 547 -3.844 -0.202 6.091 344 HG13 VAL 547 HG13 VAL 547 -2.198 -0.842 6.154 345 HG21 VAL 547 HG21 VAL 547 -4.352 -2.352 4.967 346 HG22 VAL 547 HG22 VAL 547 -4.373 -3.844 5.903 347 HG23 VAL 547 HG23 VAL 547 -2.842 -3.186 5.328 348 H THR 548 HN THR 548 -0.590 -2.204 8.961 349 HA THR 548 HA THR 548 -1.746 -1.028 11.364 350 HB THR 548 HB THR 548 0.687 -0.913 12.077 351 HG1 THR 548 HG1 THR 548 2.178 -1.622 10.724 352 HG21 THR 548 HG21 THR 548 -0.487 -3.602 11.360 353 HG22 THR 548 HG22 THR 548 -0.776 -2.698 12.847 354 HG23 THR 548 HG23 THR 548 0.830 -3.342 12.503 355 H ASN 549 HN ASN 549 0.092 -0.139 8.521 356 HA ASN 549 HA ASN 549 -0.370 2.682 9.166 357 HB2 ASN 549 HB2 ASN 549 2.340 1.661 8.276 358 HB3 ASN 549 HB3 ASN 549 1.918 3.324 8.646 359 HD21 ASN 549 HD21 ASN 549 1.657 3.931 10.824 360 HD22 ASN 549 HD22 ASN 549 2.280 2.968 12.114 361 H TYR 550 HN TYR 550 -0.450 4.037 7.362 362 HA TYR 550 HA TYR 550 -0.003 2.976 4.716 363 HB2 TYR 550 HB2 TYR 550 -2.336 3.375 3.975 364 HB3 TYR 550 HB3 TYR 550 -2.233 2.095 5.179 365 HD1 TYR 550 HD1 TYR 550 -3.984 4.965 4.229 366 HD2 TYR 550 HD2 TYR 550 -2.556 2.942 7.686 367 HE1 TYR 550 HE1 TYR 550 -5.632 6.156 5.616 368 HE2 TYR 550 HE2 TYR 550 -4.210 4.115 9.068 369 HH TYR 550 HH TYR 550 -5.682 5.834 9.116 370 H ILE 551 HN ILE 551 -0.100 4.626 3.083 371 HA ILE 551 HA ILE 551 -0.270 7.391 4.005 372 HB ILE 551 HB ILE 551 2.179 6.257 2.636 373 HG12 ILE 551 HG12 ILE 551 1.954 7.349 5.451 374 HG13 ILE 551 HG13 ILE 551 2.037 5.637 5.051 375 HG21 ILE 551 HG21 ILE 551 1.701 8.518 1.937 376 HG22 ILE 551 HG22 ILE 551 3.137 8.493 2.960 377 HG23 ILE 551 HG23 ILE 551 1.596 9.043 3.617 378 HD11 ILE 551 HD11 ILE 551 4.255 5.966 4.101 379 HD12 ILE 551 HD12 ILE 551 4.187 6.479 5.787 380 HD13 ILE 551 HD13 ILE 551 4.172 7.683 4.498 381 H LEU 552 HN LEU 552 -1.305 8.525 2.348 382 HA LEU 552 HA LEU 552 -1.329 7.153 -0.251 383 HB2 LEU 552 HB2 LEU 552 -3.328 9.054 0.938 384 HB3 LEU 552 HB1 LEU 552 -3.357 8.515 -0.727 385 HG LEU 552 HG LEU 552 -3.853 6.905 1.755 386 HD11 LEU 552 HD11 LEU 552 -5.697 8.209 0.925 387 HD12 LEU 552 HD12 LEU 552 -5.982 6.503 0.590 388 HD13 LEU 552 HD13 LEU 552 -5.452 7.578 -0.702 389 HD21 LEU 552 HD21 LEU 552 -2.456 5.559 0.272 390 HD22 LEU 552 HD22 LEU 552 -3.535 5.909 -1.078 391 HD23 LEU 552 HD23 LEU 552 -4.113 4.959 0.292 392 H MET 553 HN MET 553 -0.193 8.100 -1.801 393 HA MET 553 HA MET 553 0.702 10.868 -1.311 394 HB2 MET 553 HB2 MET 553 1.796 8.967 -3.389 395 HB3 MET 553 HB3 MET 553 2.551 10.422 -2.755 396 HG2 MET 553 HG2 MET 553 3.073 9.381 -0.710 397 HG3 MET 553 HG3 MET 553 2.002 8.020 -1.043 398 HE1 MET 553 HE1 MET 553 5.961 8.774 -3.289 399 HE2 MET 553 HE2 MET 553 5.359 9.806 -1.992 400 HE3 MET 553 HE3 MET 553 4.511 9.748 -3.538 401 H LYS 554 HN LYS 554 -1.514 11.432 -1.987 402 HA LYS 554 HA LYS 554 -2.609 11.212 -4.405 403 HB2 LYS 554 HB2 LYS 554 -2.589 13.959 -3.249 404 HB3 LYS 554 HB3 LYS 554 -3.920 13.044 -3.934 405 HG2 LYS 554 HG2 LYS 554 -2.675 12.700 -1.218 406 HG3 LYS 554 HG3 LYS 554 -4.286 13.301 -1.590 407 HD2 LYS 554 HD2 LYS 554 -4.791 11.035 -2.568 408 HD3 LYS 554 HD3 LYS 554 -3.243 10.481 -1.915 409 HE2 LYS 554 HE2 LYS 554 -5.670 11.454 -0.418 410 HE3 LYS 554 HE3 LYS 554 -4.869 9.888 -0.307 411 HZ1 LYS 554 HZ1 LYS 554 -4.248 11.093 1.601 412 HZ2 LYS 554 HZ2 LYS 554 -3.907 12.496 0.724 413 HZ3 LYS 554 HZ3 LYS 554 -2.894 11.146 0.585 414 H SER 555 HN SER 555 0.321 13.015 -3.794 415 HA SER 555 HA SER 555 0.034 14.801 -5.986 416 HB2 SER 555 HB2 SER 555 2.425 15.319 -5.512 417 HB3 SER 555 HB3 SER 555 1.396 15.425 -4.086 418 HG SER 555 HG SER 555 3.567 14.117 -4.182 419 H THR 556 HN THR 556 1.803 11.752 -5.486 420 HA THR 556 HA THR 556 2.745 11.880 -8.252 421 HB THR 556 HB THR 556 4.281 10.035 -7.556 422 HG1 THR 556 HG1 THR 556 4.314 9.391 -5.451 423 HG21 THR 556 HG21 THR 556 5.736 11.443 -6.176 424 HG22 THR 556 HG22 THR 556 4.386 12.531 -5.859 425 HG23 THR 556 HG23 THR 556 5.022 12.369 -7.497 426 H ASN 557 HN ASN 557 0.050 10.742 -6.951 427 HA ASN 557 HA ASN 557 -1.449 9.085 -7.402 428 HB2 ASN 557 HB2 ASN 557 0.315 8.710 -9.835 429 HB3 ASN 557 HB3 ASN 557 -1.200 7.849 -9.587 430 HD21 ASN 557 HD21 ASN 557 0.284 10.895 -10.315 431 HD22 ASN 557 HD22 ASN 557 -1.158 11.711 -10.811 432 H GLN 558 HN GLN 558 0.458 8.534 -5.567 433 HA GLN 558 HA GLN 558 0.977 5.664 -5.907 434 HB2 GLN 558 HB2 GLN 558 2.994 7.733 -5.019 435 HB3 GLN 558 HB3 GLN 558 3.222 5.997 -4.846 436 HG2 GLN 558 HG2 GLN 558 3.228 5.698 -7.219 437 HG3 GLN 558 HG3 GLN 558 2.781 7.385 -7.477 438 HE21 GLN 558 HE21 GLN 558 4.599 7.772 -8.726 439 HE22 GLN 558 HE22 GLN 558 6.178 7.901 -8.039 440 H ALA 559 HN ALA 559 1.582 4.651 -3.718 441 HA ALA 559 HA ALA 559 0.919 6.187 -1.388 442 HB1 ALA 559 HB1 ALA 559 -1.313 5.697 -2.115 443 HB2 ALA 559 HB2 ALA 559 -0.941 4.725 -0.683 444 HB3 ALA 559 HB3 ALA 559 -0.920 3.981 -2.289 445 H PHE 560 HN PHE 560 1.084 4.870 0.585 446 HA PHE 560 HA PHE 560 2.840 2.512 0.233 447 HB2 PHE 560 HB2 PHE 560 2.930 4.602 2.408 448 HB3 PHE 560 HB3 PHE 560 3.808 3.087 2.480 449 HD1 PHE 560 HD1 PHE 560 5.509 2.603 0.662 450 HD2 PHE 560 HD2 PHE 560 3.842 6.460 1.340 451 HE1 PHE 560 HE1 PHE 560 7.411 3.631 -0.514 452 HE2 PHE 560 HE2 PHE 560 5.738 7.490 0.162 453 HZ PHE 560 HZ PHE 560 7.526 6.075 -0.765 454 H LEU 561 HN LEU 561 2.559 0.761 1.583 455 HA LEU 561 HA LEU 561 0.271 0.818 3.422 456 HB2 LEU 561 HB2 LEU 561 -0.478 -0.014 1.211 457 HB3 LEU 561 HB1 LEU 561 0.733 -1.273 1.290 458 HG LEU 561 HG LEU 561 -0.425 -2.198 3.292 459 HD11 LEU 561 HD11 LEU 561 -2.505 -0.129 2.592 460 HD12 LEU 561 HD12 LEU 561 -1.531 -0.178 4.063 461 HD13 LEU 561 HD13 LEU 561 -2.718 -1.444 3.748 462 HD21 LEU 561 HD21 LEU 561 -0.812 -3.016 0.970 463 HD22 LEU 561 HD22 LEU 561 -2.203 -1.933 0.869 464 HD23 LEU 561 HD23 LEU 561 -2.190 -3.244 2.045 465 H GLU 562 HN GLU 562 1.007 0.186 5.311 466 HA GLU 562 HA GLU 562 3.191 -1.781 5.425 467 HB2 GLU 562 HB2 GLU 562 2.862 0.618 6.772 468 HB3 GLU 562 HB3 GLU 562 2.465 -0.597 7.979 469 HG2 GLU 562 HG2 GLU 562 4.997 -0.547 6.348 470 HG3 GLU 562 HG3 GLU 562 4.842 0.056 7.995 471 H MET 563 HN MET 563 3.027 -3.629 6.580 472 HA MET 563 HA MET 563 0.295 -4.453 7.322 473 HB2 MET 563 HB2 MET 563 2.317 -6.111 5.800 474 HB3 MET 563 HB3 MET 563 0.649 -6.544 6.159 475 HG2 MET 563 HG2 MET 563 -0.162 -5.358 4.443 476 HG3 MET 563 HG3 MET 563 0.954 -4.021 4.710 477 HE1 MET 563 HE1 MET 563 1.234 -3.614 2.101 478 HE2 MET 563 HE2 MET 563 0.085 -4.916 1.780 479 HE3 MET 563 HE3 MET 563 1.643 -4.892 0.956 480 H ALA 564 HN ALA 564 0.249 -6.258 8.848 481 HA ALA 564 HA ALA 564 2.059 -5.640 10.960 482 HB1 ALA 564 HB1 ALA 564 -0.311 -6.088 11.361 483 HB2 ALA 564 HB2 ALA 564 0.717 -7.182 12.286 484 HB3 ALA 564 HB3 ALA 564 -0.088 -7.753 10.825 485 H TYR 565 HN TYR 565 2.051 -7.966 8.490 486 HA TYR 565 HA TYR 565 4.369 -9.275 9.697 487 HB2 TYR 565 HB2 TYR 565 2.054 -10.732 8.402 488 HB3 TYR 565 HB3 TYR 565 3.568 -11.476 8.896 489 HD1 TYR 565 HD1 TYR 565 0.273 -10.632 9.877 490 HD2 TYR 565 HD2 TYR 565 4.183 -11.299 11.404 491 HE1 TYR 565 HE1 TYR 565 -0.676 -11.040 12.108 492 HE2 TYR 565 HE2 TYR 565 3.247 -11.706 13.642 493 HH TYR 565 HH TYR 565 1.197 -11.112 14.915 494 H THR 566 HN THR 566 5.911 -9.911 8.212 495 HA THR 566 HA THR 566 5.938 -8.446 5.782 496 HB THR 566 HB THR 566 7.976 -9.106 7.156 497 HG1 THR 566 HG1 THR 566 9.243 -9.019 5.328 498 HG21 THR 566 HG21 THR 566 9.063 -11.227 6.528 499 HG22 THR 566 HG22 THR 566 7.617 -11.689 5.631 500 HG23 THR 566 HG23 THR 566 7.546 -11.490 7.381 501 H GLU 567 HN GLU 567 5.086 -11.691 6.635 502 HA GLU 567 HA GLU 567 5.011 -12.956 4.174 503 HB2 GLU 567 HB2 GLU 567 3.365 -14.443 5.147 504 HB3 GLU 567 HB3 GLU 567 4.593 -14.058 6.344 505 HG2 GLU 567 HG2 GLU 567 2.959 -12.257 7.173 506 HG3 GLU 567 HG3 GLU 567 1.760 -13.097 6.187 507 H ALA 568 HN ALA 568 2.928 -10.506 5.468 508 HA ALA 568 HA ALA 568 0.692 -11.000 3.766 509 HB1 ALA 568 HB1 ALA 568 1.446 -8.500 5.275 510 HB2 ALA 568 HB2 ALA 568 0.432 -9.809 5.879 511 HB3 ALA 568 HB3 ALA 568 -0.117 -8.820 4.525 512 H ALA 569 HN ALA 569 3.513 -8.877 3.639 513 HA ALA 569 HA ALA 569 2.650 -7.346 1.423 514 HB1 ALA 569 HB1 ALA 569 5.462 -7.859 2.372 515 HB2 ALA 569 HB2 ALA 569 4.392 -6.588 2.965 516 HB3 ALA 569 HB3 ALA 569 4.945 -6.566 1.290 517 H GLN 570 HN GLN 570 4.752 -10.189 1.694 518 HA GLN 570 HA GLN 570 5.381 -10.248 -1.067 519 HB2 GLN 570 HB2 GLN 570 6.212 -12.543 -0.613 520 HB3 GLN 570 HB3 GLN 570 6.871 -11.321 0.467 521 HG2 GLN 570 HG2 GLN 570 5.224 -11.993 2.170 522 HG3 GLN 570 HG3 GLN 570 4.680 -13.278 1.091 523 HE21 GLN 570 HE21 GLN 570 5.240 -14.897 2.448 524 HE22 GLN 570 HE22 GLN 570 6.880 -15.318 2.815 525 H ALA 571 HN ALA 571 2.871 -11.742 0.894 526 HA ALA 571 HA ALA 571 1.768 -13.389 -1.097 527 HB1 ALA 571 HB1 ALA 571 1.199 -13.586 1.278 528 HB2 ALA 571 HB2 ALA 571 -0.243 -13.405 0.279 529 HB3 ALA 571 HB3 ALA 571 0.367 -12.034 1.204 530 H MET 572 HN MET 572 1.095 -10.019 -0.177 531 HA MET 572 HA MET 572 -0.944 -9.616 -2.095 532 HB2 MET 572 HB2 MET 572 0.886 -7.524 -0.905 533 HB3 MET 572 HB3 MET 572 -0.656 -7.232 -1.698 534 HG2 MET 572 HG2 MET 572 -1.685 -8.678 0.114 535 HG3 MET 572 HG3 MET 572 -0.138 -8.537 0.945 536 HE1 MET 572 HE1 MET 572 -1.676 -6.034 3.245 537 HE2 MET 572 HE2 MET 572 -0.484 -7.312 3.006 538 HE3 MET 572 HE3 MET 572 -2.201 -7.657 2.806 539 H VAL 573 HN VAL 573 2.573 -8.991 -2.174 540 HA VAL 573 HA VAL 573 2.632 -7.774 -4.691 541 HB VAL 573 HB VAL 573 4.747 -9.440 -3.311 542 HG11 VAL 573 HG11 VAL 573 5.150 -9.426 -5.723 543 HG12 VAL 573 HG12 VAL 573 6.350 -8.450 -4.876 544 HG13 VAL 573 HG13 VAL 573 5.026 -7.667 -5.739 545 HG21 VAL 573 HG21 VAL 573 5.758 -7.255 -2.818 546 HG22 VAL 573 HG22 VAL 573 4.146 -7.406 -2.120 547 HG23 VAL 573 HG23 VAL 573 4.386 -6.456 -3.586 548 H GLN 574 HN GLN 574 2.985 -11.217 -3.812 549 HA GLN 574 HA GLN 574 3.298 -12.177 -6.435 550 HB2 GLN 574 HB2 GLN 574 2.150 -13.480 -3.966 551 HB3 GLN 574 HB3 GLN 574 2.373 -14.340 -5.481 552 HG2 GLN 574 HG2 GLN 574 4.548 -13.037 -3.864 553 HG3 GLN 574 HG3 GLN 574 4.189 -14.761 -3.920 554 HE21 GLN 574 HE21 GLN 574 6.637 -13.393 -4.610 555 HE22 GLN 574 HE22 GLN 574 6.970 -13.782 -6.254 556 H TYR 575 HN TYR 575 0.445 -11.444 -4.532 557 HA TYR 575 HA TYR 575 -1.413 -12.639 -6.335 558 HB2 TYR 575 HB2 TYR 575 -1.970 -12.264 -3.978 559 HB3 TYR 575 HB3 TYR 575 -1.871 -10.524 -4.223 560 HD1 TYR 575 HD1 TYR 575 -3.718 -9.315 -5.016 561 HD2 TYR 575 HD2 TYR 575 -3.757 -13.563 -5.212 562 HE1 TYR 575 HE1 TYR 575 -6.093 -9.258 -5.639 563 HE2 TYR 575 HE2 TYR 575 -6.133 -13.518 -5.835 564 HH TYR 575 HH TYR 575 -7.730 -10.633 -6.750 565 H TYR 576 HN TYR 576 -0.564 -9.240 -5.685 566 HA TYR 576 HA TYR 576 -2.222 -8.322 -7.809 567 HB2 TYR 576 HB2 TYR 576 -0.224 -6.867 -6.081 568 HB3 TYR 576 HB3 TYR 576 -1.277 -6.074 -7.254 569 HD1 TYR 576 HD1 TYR 576 -3.822 -6.482 -6.987 570 HD2 TYR 576 HD2 TYR 576 -0.993 -7.238 -3.899 571 HE1 TYR 576 HE1 TYR 576 -5.629 -6.434 -5.320 572 HE2 TYR 576 HE2 TYR 576 -2.793 -7.183 -2.226 573 HH TYR 576 HH TYR 576 -5.002 -6.429 -1.912 574 H GLN 577 HN GLN 577 1.008 -9.439 -7.776 575 HA GLN 577 HA GLN 577 1.720 -8.120 -10.230 576 HB2 GLN 577 HB2 GLN 577 2.918 -10.449 -8.754 577 HB3 GLN 577 HB3 GLN 577 3.491 -9.971 -10.346 578 HG2 GLN 577 HG2 GLN 577 3.407 -8.156 -7.947 579 HG3 GLN 577 HG3 GLN 577 4.828 -9.055 -8.476 580 HE21 GLN 577 HE21 GLN 577 6.017 -7.209 -8.837 581 HE22 GLN 577 HE22 GLN 577 5.709 -6.155 -10.174 582 H GLU 578 HN GLU 578 0.421 -11.284 -9.344 583 HA GLU 578 HA GLU 578 0.198 -12.131 -12.076 584 HB2 GLU 578 HB2 GLU 578 -1.123 -13.235 -9.589 585 HB3 GLU 578 HB3 GLU 578 -1.079 -14.022 -11.157 586 HG2 GLU 578 HG2 GLU 578 1.266 -13.435 -9.369 587 HG3 GLU 578 HG3 GLU 578 0.558 -15.013 -9.706 588 H LYS 579 HN LYS 579 -1.953 -10.717 -9.664 589 HA LYS 579 HA LYS 579 -3.807 -9.976 -11.814 590 HB2 LYS 579 HB2 LYS 579 -4.580 -11.106 -9.114 591 HB3 LYS 579 HB3 LYS 579 -5.702 -10.400 -10.267 592 HG2 LYS 579 HG2 LYS 579 -5.195 -12.162 -11.863 593 HG3 LYS 579 HG3 LYS 579 -4.033 -12.860 -10.731 594 HD2 LYS 579 HD2 LYS 579 -6.134 -14.066 -10.611 595 HD3 LYS 579 HD3 LYS 579 -5.845 -13.195 -9.105 596 HE2 LYS 579 HE2 LYS 579 -7.356 -11.415 -9.854 597 HE3 LYS 579 HE3 LYS 579 -7.650 -12.298 -11.351 598 HZ1 LYS 579 HZ1 LYS 579 -8.553 -14.125 -10.015 599 HZ2 LYS 579 HZ2 LYS 579 -9.426 -12.694 -9.800 600 HZ3 LYS 579 HZ3 LYS 579 -8.340 -13.207 -8.611 601 HA PRO 580 HA PRO 580 -2.685 -6.239 -9.418 602 HB2 PRO 580 HB2 PRO 580 -3.347 -4.501 -11.412 603 HB3 PRO 580 HB1 PRO 580 -1.774 -5.300 -11.300 604 HG2 PRO 580 HG2 PRO 580 -4.145 -6.016 -12.977 605 HG3 PRO 580 HG3 PRO 580 -2.427 -5.997 -13.417 606 HD2 PRO 580 HD2 PRO 580 -3.733 -8.278 -12.810 607 HD3 PRO 580 HD3 PRO 580 -2.020 -8.034 -12.409 608 H ALA 581 HN ALA 581 -3.987 -4.455 -8.656 609 HA ALA 581 HA ALA 581 -6.791 -5.228 -8.472 610 HB1 ALA 581 HB1 ALA 581 -6.909 -3.700 -6.604 611 HB2 ALA 581 HB2 ALA 581 -5.302 -3.075 -6.971 612 HB3 ALA 581 HB3 ALA 581 -5.496 -4.740 -6.419 613 H ILE 582 HN ILE 582 -8.469 -3.995 -9.208 614 HA ILE 582 HA ILE 582 -7.686 -1.854 -11.052 615 HB ILE 582 HB ILE 582 -10.360 -3.246 -10.905 616 HG12 ILE 582 HG12 ILE 582 -8.003 -3.908 -12.686 617 HG13 ILE 582 HG13 ILE 582 -8.526 -4.875 -11.313 618 HG21 ILE 582 HG21 ILE 582 -9.026 -1.692 -13.121 619 HG22 ILE 582 HG22 ILE 582 -10.301 -1.084 -12.068 620 HG23 ILE 582 HG23 ILE 582 -10.634 -2.416 -13.174 621 HD11 ILE 582 HD11 ILE 582 -10.654 -5.296 -12.423 622 HD12 ILE 582 HD12 ILE 582 -9.290 -5.823 -13.408 623 HD13 ILE 582 HD13 ILE 582 -10.129 -4.322 -13.796 624 H ILE 583 HN ILE 583 -7.898 0.147 -10.339 625 HA ILE 583 HA ILE 583 -10.361 0.843 -8.878 626 HB ILE 583 HB ILE 583 -7.595 1.981 -8.449 627 HG12 ILE 583 HG12 ILE 583 -8.106 -0.086 -7.200 628 HG13 ILE 583 HG13 ILE 583 -7.918 1.298 -6.128 629 HG21 ILE 583 HG21 ILE 583 -8.610 3.579 -6.907 630 HG22 ILE 583 HG22 ILE 583 -10.212 2.986 -7.345 631 HG23 ILE 583 HG23 ILE 583 -9.213 3.796 -8.551 632 HD11 ILE 583 HD11 ILE 583 -9.758 -0.065 -5.402 633 HD12 ILE 583 HD12 ILE 583 -10.510 0.044 -6.993 634 HD13 ILE 583 HD13 ILE 583 -10.364 1.485 -5.987 635 H ASN 584 HN ASN 584 -11.610 1.962 -10.211 636 HA ASN 584 HA ASN 584 -12.345 3.384 -11.812 637 HB2 ASN 584 HB2 ASN 584 -9.779 4.830 -11.140 638 HB3 ASN 584 HB3 ASN 584 -10.960 5.452 -12.282 639 HD21 ASN 584 HD21 ASN 584 -11.719 3.760 -9.280 640 HD22 ASN 584 HD22 ASN 584 -12.447 5.119 -8.500 641 H GLY 585 HN GLY 585 -10.893 1.060 -12.507 642 HA2 GLY 585 HA2 GLY 585 -10.382 0.081 -14.531 643 HA3 GLY 585 HA3 GLY 585 -10.366 1.672 -15.275 644 H GLU 586 HN GLU 586 -8.437 1.811 -12.578 645 HA GLU 586 HA GLU 586 -6.058 1.506 -14.249 646 HB2 GLU 586 HB2 GLU 586 -6.531 2.972 -11.660 647 HB3 GLU 586 HB3 GLU 586 -4.936 2.777 -12.375 648 HG2 GLU 586 HG2 GLU 586 -7.269 4.110 -13.730 649 HG3 GLU 586 HG3 GLU 586 -5.984 4.956 -12.870 650 H LYS 587 HN LYS 587 -4.777 -0.135 -14.024 651 HA LYS 587 HA LYS 587 -5.072 -2.070 -11.941 652 HB2 LYS 587 HB2 LYS 587 -2.874 -1.819 -14.003 653 HB3 LYS 587 HB3 LYS 587 -3.256 -3.250 -13.056 654 HG2 LYS 587 HG2 LYS 587 -5.033 -1.967 -15.120 655 HG3 LYS 587 HG3 LYS 587 -4.099 -3.450 -15.322 656 HD2 LYS 587 HD2 LYS 587 -5.395 -4.527 -13.565 657 HD3 LYS 587 HD3 LYS 587 -6.292 -3.033 -13.293 658 HE2 LYS 587 HE2 LYS 587 -7.579 -4.608 -14.644 659 HE3 LYS 587 HE3 LYS 587 -7.194 -3.149 -15.550 660 HZ1 LYS 587 HZ1 LYS 587 -5.714 -5.711 -15.748 661 HZ2 LYS 587 HZ2 LYS 587 -5.426 -4.319 -16.664 662 HZ3 LYS 587 HZ3 LYS 587 -6.873 -5.171 -16.853 663 H LEU 588 HN LEU 588 -4.243 -1.941 -9.980 664 HA LEU 588 HA LEU 588 -2.203 0.017 -9.364 665 HB2 LEU 588 HB2 LEU 588 -3.548 -1.939 -7.512 666 HB3 LEU 588 HB1 LEU 588 -2.676 -0.486 -7.064 667 HG LEU 588 HG LEU 588 -5.342 -0.643 -8.463 668 HD11 LEU 588 HD11 LEU 588 -5.484 -1.070 -6.110 669 HD12 LEU 588 HD12 LEU 588 -6.107 0.544 -6.443 670 HD13 LEU 588 HD13 LEU 588 -4.499 0.346 -5.750 671 HD21 LEU 588 HD21 LEU 588 -3.689 1.778 -7.769 672 HD22 LEU 588 HD22 LEU 588 -5.352 1.802 -8.355 673 HD23 LEU 588 HD23 LEU 588 -4.060 1.195 -9.391 674 H LEU 589 HN LEU 589 -0.192 -0.381 -8.606 675 HA LEU 589 HA LEU 589 0.752 -3.168 -8.788 676 HB2 LEU 589 HB2 LEU 589 1.673 -1.732 -10.542 677 HB3 LEU 589 HB1 LEU 589 2.276 -0.617 -9.330 678 HG LEU 589 HG LEU 589 3.786 -2.384 -8.489 679 HD11 LEU 589 HD11 LEU 589 4.106 -4.402 -9.860 680 HD12 LEU 589 HD12 LEU 589 2.701 -3.944 -10.825 681 HD13 LEU 589 HD13 LEU 589 2.507 -4.335 -9.116 682 HD21 LEU 589 HD21 LEU 589 5.325 -2.367 -10.390 683 HD22 LEU 589 HD22 LEU 589 4.591 -0.782 -10.139 684 HD23 LEU 589 HD23 LEU 589 4.018 -1.825 -11.442 685 H ILE 590 HN ILE 590 1.028 -3.972 -6.791 686 HA ILE 590 HA ILE 590 2.111 -2.230 -4.687 687 HB ILE 590 HB ILE 590 0.890 -4.990 -4.418 688 HG12 ILE 590 HG12 ILE 590 -0.260 -2.237 -3.916 689 HG13 ILE 590 HG13 ILE 590 -0.821 -3.421 -5.085 690 HG21 ILE 590 HG21 ILE 590 2.499 -4.528 -2.660 691 HG22 ILE 590 HG22 ILE 590 0.860 -4.494 -2.006 692 HG23 ILE 590 HG23 ILE 590 1.715 -2.985 -2.319 693 HD11 ILE 590 HD11 ILE 590 -1.458 -4.898 -3.198 694 HD12 ILE 590 HD12 ILE 590 -2.335 -3.368 -3.237 695 HD13 ILE 590 HD13 ILE 590 -1.015 -3.600 -2.083 696 H ARG 591 HN ARG 591 4.206 -2.383 -4.164 697 HA ARG 591 HA ARG 591 5.656 -4.886 -4.504 698 HB2 ARG 591 HB2 ARG 591 6.401 -2.349 -5.967 699 HB3 ARG 591 HB3 ARG 591 7.512 -3.688 -5.724 700 HG2 ARG 591 HG2 ARG 591 5.817 -5.137 -6.914 701 HG3 ARG 591 HG3 ARG 591 4.994 -3.640 -7.357 702 HD2 ARG 591 HD2 ARG 591 6.477 -4.356 -9.143 703 HD3 ARG 591 HD3 ARG 591 7.050 -2.845 -8.436 704 HE ARG 591 HE ARG 591 8.607 -4.341 -7.109 705 HH11 ARG 591 HH11 ARG 591 7.513 -5.104 -10.353 706 HH12 ARG 591 HH12 ARG 591 8.842 -6.165 -10.683 707 HH21 ARG 591 HH21 ARG 591 10.359 -5.723 -7.552 708 HH22 ARG 591 HH22 ARG 591 10.465 -6.512 -9.094 709 H MET 592 HN MET 592 7.946 -4.638 -3.661 710 HA MET 592 HA MET 592 7.821 -3.174 -1.151 711 HB2 MET 592 HB2 MET 592 9.924 -5.038 -2.271 712 HB3 MET 592 HB3 MET 592 10.011 -4.283 -0.686 713 HG2 MET 592 HG2 MET 592 7.882 -5.413 -0.091 714 HG3 MET 592 HG3 MET 592 7.954 -6.260 -1.636 715 HE1 MET 592 HE1 MET 592 7.715 -7.748 1.185 716 HE2 MET 592 HE2 MET 592 8.858 -9.070 0.947 717 HE3 MET 592 HE3 MET 592 7.780 -8.590 -0.364 718 H SER 593 HN SER 593 9.202 -1.485 -0.555 719 HA SER 593 HA SER 593 10.174 0.049 -2.808 720 HB2 SER 593 HB2 SER 593 9.950 0.714 0.125 721 HB3 SER 593 HB3 SER 593 10.544 1.833 -1.102 722 HG SER 593 HG SER 593 8.558 1.822 -2.071 723 H THR 594 HN THR 594 12.158 0.648 -3.225 724 HA THR 594 HA THR 594 14.308 -0.939 -2.077 725 HB THR 594 HB THR 594 15.626 0.101 -3.996 726 HG1 THR 594 HG1 THR 594 14.304 1.036 -5.634 727 HG21 THR 594 HG21 THR 594 14.708 -2.171 -4.094 728 HG22 THR 594 HG22 THR 594 14.598 -1.378 -5.665 729 HG23 THR 594 HG23 THR 594 13.163 -1.527 -4.650 730 H ARG 595 HN ARG 595 13.060 2.185 -1.623 731 HA ARG 595 HA ARG 595 15.725 3.370 -1.234 732 HB2 ARG 595 HB2 ARG 595 13.046 4.711 -1.602 733 HB3 ARG 595 HB3 ARG 595 14.554 5.559 -1.304 734 HG2 ARG 595 HG2 ARG 595 15.458 4.675 -3.394 735 HG3 ARG 595 HG3 ARG 595 13.925 3.854 -3.701 736 HD2 ARG 595 HD2 ARG 595 12.774 6.016 -3.693 737 HD3 ARG 595 HD3 ARG 595 14.308 6.829 -3.389 738 HE ARG 595 HE ARG 595 14.585 5.299 -5.706 739 HH11 ARG 595 HH11 ARG 595 12.816 8.100 -4.574 740 HH12 ARG 595 HH12 ARG 595 12.713 8.828 -6.147 741 HH21 ARG 595 HH21 ARG 595 14.459 6.265 -7.786 742 HH22 ARG 595 HH22 ARG 595 13.645 7.790 -7.965 743 H TYR 596 HN TYR 596 12.764 2.606 0.441 744 HA TYR 596 HA TYR 596 13.846 3.912 2.846 745 HB2 TYR 596 HB2 TYR 596 10.982 3.658 1.935 746 HB3 TYR 596 HB3 TYR 596 11.424 4.108 3.579 747 HD1 TYR 596 HD1 TYR 596 11.471 5.176 0.058 748 HD2 TYR 596 HD2 TYR 596 12.278 6.296 4.080 749 HE1 TYR 596 HE1 TYR 596 11.666 7.523 -0.642 750 HE2 TYR 596 HE2 TYR 596 12.473 8.650 3.390 751 HH TYR 596 HH TYR 596 13.014 9.913 1.292 752 H LYS 597 HN LYS 597 13.487 2.942 4.853 753 HA LYS 597 HA LYS 597 13.113 0.036 4.660 754 HB2 LYS 597 HB2 LYS 597 14.736 1.692 6.585 755 HB3 LYS 597 HB3 LYS 597 14.378 -0.009 6.861 756 HG2 LYS 597 HG2 LYS 597 16.543 0.095 5.919 757 HG3 LYS 597 HG3 LYS 597 15.475 -0.483 4.642 758 HD2 LYS 597 HD2 LYS 597 15.367 1.855 3.778 759 HD3 LYS 597 HD3 LYS 597 16.579 2.303 4.979 760 HE2 LYS 597 HE2 LYS 597 16.928 0.243 2.804 761 HE3 LYS 597 HE3 LYS 597 17.578 1.880 2.782 762 HZ1 LYS 597 HZ1 LYS 597 19.242 0.275 3.464 763 HZ2 LYS 597 HZ2 LYS 597 18.274 -0.224 4.757 764 HZ3 LYS 597 HZ3 LYS 597 18.902 1.343 4.730 765 H GLU 598 HN GLU 598 11.790 2.892 6.028 766 HA GLU 598 HA GLU 598 9.893 1.225 7.510 767 HB2 GLU 598 HB2 GLU 598 11.707 1.963 9.069 768 HB3 GLU 598 HB3 GLU 598 11.250 3.627 8.743 769 HG2 GLU 598 HG2 GLU 598 8.974 3.095 9.603 770 HG3 GLU 598 HG3 GLU 598 9.588 1.510 10.079 771 H LEU 599 HN LEU 599 7.873 2.128 7.786 772 HA LEU 599 HA LEU 599 7.339 4.545 6.224 773 HB2 LEU 599 HB2 LEU 599 5.511 2.370 7.229 774 HB3 LEU 599 HB1 LEU 599 4.931 3.838 6.464 775 HG LEU 599 HG LEU 599 6.613 1.676 5.209 776 HD11 LEU 599 HD11 LEU 599 4.278 1.115 5.333 777 HD12 LEU 599 HD12 LEU 599 4.700 1.519 3.669 778 HD13 LEU 599 HD13 LEU 599 3.832 2.685 4.666 779 HD21 LEU 599 HD21 LEU 599 6.108 3.188 3.137 780 HD22 LEU 599 HD22 LEU 599 7.509 3.496 4.160 781 HD23 LEU 599 HD23 LEU 599 6.045 4.468 4.351 782 H GLN 600 HN GLN 600 7.046 6.375 7.200 783 HA GLN 600 HA GLN 600 6.385 6.392 10.059 784 HB2 GLN 600 HB2 GLN 600 8.541 7.357 9.614 785 HB3 GLN 600 HB3 GLN 600 7.888 8.350 8.321 786 HG2 GLN 600 HG2 GLN 600 8.347 9.670 10.296 787 HG3 GLN 600 HG3 GLN 600 6.622 9.647 9.940 788 HE21 GLN 600 HE21 GLN 600 6.080 10.194 12.020 789 HE22 GLN 600 HE22 GLN 600 6.214 9.080 13.340 790 H LEU 601 HN LEU 601 4.383 7.019 10.573 791 HA LEU 601 HA LEU 601 2.714 8.339 8.626 792 HB2 LEU 601 HB2 LEU 601 2.194 7.544 11.488 793 HB3 LEU 601 HB1 LEU 601 1.001 8.299 10.453 794 HG LEU 601 HG LEU 601 2.248 5.577 10.081 795 HD11 LEU 601 HD11 LEU 601 0.537 5.648 11.796 796 HD12 LEU 601 HD12 LEU 601 -0.062 4.801 10.370 797 HD13 LEU 601 HD13 LEU 601 -0.570 6.458 10.687 798 HD21 LEU 601 HD21 LEU 601 0.713 5.365 8.159 799 HD22 LEU 601 HD22 LEU 601 1.957 6.587 7.909 800 HD23 LEU 601 HD23 LEU 601 0.313 7.074 8.321 801 H LYS 602 HN LYS 602 3.603 10.317 8.280 802 HA LYS 602 HA LYS 602 4.039 12.130 10.513 803 HB2 LYS 602 HB2 LYS 602 4.340 12.580 7.536 804 HB3 LYS 602 HB3 LYS 602 4.886 13.670 8.804 805 HG2 LYS 602 HG2 LYS 602 6.453 11.977 9.600 806 HG3 LYS 602 HG3 LYS 602 5.888 10.869 8.349 807 HD2 LYS 602 HD2 LYS 602 7.972 11.916 7.667 808 HD3 LYS 602 HD3 LYS 602 6.651 12.434 6.619 809 HE2 LYS 602 HE2 LYS 602 6.485 14.532 7.818 810 HE3 LYS 602 HE3 LYS 602 7.725 14.010 8.956 811 HZ1 LYS 602 HZ1 LYS 602 9.309 13.931 7.125 812 HZ2 LYS 602 HZ2 LYS 602 8.640 15.475 7.282 813 HZ3 LYS 602 HZ3 LYS 602 8.116 14.452 6.045 814 H LYS 603 HN LYS 603 1.529 11.214 8.495 815 HA LYS 603 HA LYS 603 0.057 13.696 9.079 816 HB2 LYS 603 HB2 LYS 603 -0.354 11.776 6.774 817 HB3 LYS 603 HB3 LYS 603 -1.339 13.194 7.103 818 HG2 LYS 603 HG2 LYS 603 1.595 13.226 6.425 819 HG3 LYS 603 HG3 LYS 603 0.277 13.584 5.310 820 HD2 LYS 603 HD2 LYS 603 -0.382 15.491 6.680 821 HD3 LYS 603 HD3 LYS 603 0.901 15.119 7.835 822 HE2 LYS 603 HE2 LYS 603 2.574 15.483 6.089 823 HE3 LYS 603 HE3 LYS 603 1.293 15.852 4.936 824 HZ1 LYS 603 HZ1 LYS 603 2.262 17.869 5.789 825 HZ2 LYS 603 HZ2 LYS 603 1.944 17.400 7.382 826 HZ3 LYS 603 HZ3 LYS 603 0.666 17.740 6.334 827 HA PRO 604 HA PRO 604 -2.634 11.413 11.710 828 HB2 PRO 604 HB2 PRO 604 -4.864 12.845 10.375 829 HB3 PRO 604 HB1 PRO 604 -4.446 12.758 12.087 830 HG2 PRO 604 HG2 PRO 604 -3.972 14.965 10.656 831 HG3 PRO 604 HG3 PRO 604 -2.861 14.425 11.927 832 HD2 PRO 604 HD2 PRO 604 -2.586 14.242 8.969 833 HD3 PRO 604 HD3 PRO 604 -1.342 14.495 10.207 834 H GLY 605 HN GLY 605 -3.773 9.551 11.658 835 HA2 GLY 605 HA2 GLY 605 -5.006 8.733 9.117 836 HA3 GLY 605 HA3 GLY 605 -3.915 7.653 9.975 837 H LYS 606 HN LYS 606 -6.862 7.578 9.306 838 HA LYS 606 HA LYS 606 -8.133 7.623 11.901 839 HB2 LYS 606 HB2 LYS 606 -9.219 6.610 9.265 840 HB3 LYS 606 HB3 LYS 606 -10.150 6.896 10.726 841 HG2 LYS 606 HG2 LYS 606 -10.628 8.804 9.593 842 HG3 LYS 606 HG3 LYS 606 -9.178 9.338 10.444 843 HD2 LYS 606 HD2 LYS 606 -7.831 8.812 8.468 844 HD3 LYS 606 HD3 LYS 606 -9.280 8.279 7.620 845 HE2 LYS 606 HE2 LYS 606 -8.851 10.475 6.867 846 HE3 LYS 606 HE3 LYS 606 -10.202 10.599 7.990 847 HZ1 LYS 606 HZ1 LYS 606 -8.599 12.347 8.378 848 HZ2 LYS 606 HZ2 LYS 606 -7.364 11.214 8.605 849 HZ3 LYS 606 HZ3 LYS 606 -8.641 11.303 9.709 850 H ASN 607 HN ASN 607 -9.360 5.663 12.657 851 HA ASN 607 HA ASN 607 -7.683 3.517 13.135 852 HB2 ASN 607 HB2 ASN 607 -9.578 4.050 14.557 853 HB3 ASN 607 HB3 ASN 607 -10.699 3.682 13.254 854 HD21 ASN 607 HD21 ASN 607 -11.768 2.145 14.453 855 HD22 ASN 607 HD22 ASN 607 -11.073 0.605 14.829 856 H VAL 608 HN VAL 608 -7.150 1.751 12.068 857 HA VAL 608 HA VAL 608 -8.219 1.346 9.405 858 HB VAL 608 HB VAL 608 -5.961 -0.059 10.841 859 HG11 VAL 608 HG11 VAL 608 -5.294 -0.798 8.576 860 HG12 VAL 608 HG12 VAL 608 -6.812 -0.149 7.959 861 HG13 VAL 608 HG13 VAL 608 -6.830 -1.482 9.109 862 HG21 VAL 608 HG21 VAL 608 -5.515 2.312 10.490 863 HG22 VAL 608 HG22 VAL 608 -5.905 2.143 8.778 864 HG23 VAL 608 HG23 VAL 608 -4.496 1.319 9.449 865 H ALA 609 HN ALA 609 -8.452 -0.109 12.553 866 HA ALA 609 HA ALA 609 -9.316 -2.680 11.828 867 HB1 ALA 609 HB1 ALA 609 -10.291 -2.815 14.054 868 HB2 ALA 609 HB2 ALA 609 -10.138 -1.068 14.238 869 HB3 ALA 609 HB3 ALA 609 -8.693 -2.072 14.116 870 H ALA 610 HN ALA 610 -11.022 0.360 12.090 871 HA ALA 610 HA ALA 610 -13.647 -0.550 11.731 872 HB1 ALA 610 HB1 ALA 610 -12.421 2.033 10.770 873 HB2 ALA 610 HB2 ALA 610 -13.062 1.747 12.386 874 HB3 ALA 610 HB3 ALA 610 -14.141 1.717 10.992 875 H ILE 611 HN ILE 611 -11.002 -0.077 9.527 876 HA ILE 611 HA ILE 611 -12.537 -0.086 7.125 877 HB ILE 611 HB ILE 611 -9.585 -0.644 7.545 878 HG12 ILE 611 HG12 ILE 611 -11.029 1.881 6.706 879 HG13 ILE 611 HG13 ILE 611 -10.333 1.595 8.296 880 HG21 ILE 611 HG21 ILE 611 -9.330 -0.179 5.176 881 HG22 ILE 611 HG22 ILE 611 -11.069 0.069 5.016 882 HG23 ILE 611 HG23 ILE 611 -10.440 -1.529 5.413 883 HD11 ILE 611 HD11 ILE 611 -8.849 1.811 5.691 884 HD12 ILE 611 HD12 ILE 611 -8.107 1.402 7.237 885 HD13 ILE 611 HD13 ILE 611 -8.862 2.981 7.010 886 H ILE 612 HN ILE 612 -10.939 -2.535 9.102 887 HA ILE 612 HA ILE 612 -11.209 -4.756 7.418 888 HB ILE 612 HB ILE 612 -11.600 -4.807 10.423 889 HG12 ILE 612 HG12 ILE 612 -8.997 -5.001 8.902 890 HG13 ILE 612 HG13 ILE 612 -9.525 -3.579 9.794 891 HG21 ILE 612 HG21 ILE 612 -12.156 -6.888 9.314 892 HG22 ILE 612 HG22 ILE 612 -10.659 -7.076 10.227 893 HG23 ILE 612 HG23 ILE 612 -10.605 -6.884 8.476 894 HD11 ILE 612 HD11 ILE 612 -8.954 -6.295 10.959 895 HD12 ILE 612 HD12 ILE 612 -9.488 -4.879 11.863 896 HD13 ILE 612 HD13 ILE 612 -7.915 -4.873 11.066 897 H GLN 613 HN GLN 613 -13.426 -3.329 9.765 898 HA GLN 613 HA GLN 613 -15.530 -5.192 9.421 899 HB2 GLN 613 HB2 GLN 613 -15.667 -2.292 10.276 900 HB3 GLN 613 HB3 GLN 613 -16.932 -3.491 10.510 901 HG2 GLN 613 HG2 GLN 613 -15.477 -4.769 11.974 902 HG3 GLN 613 HG3 GLN 613 -14.174 -3.611 11.711 903 HE21 GLN 613 HE21 GLN 613 -14.029 -3.090 13.875 904 HE22 GLN 613 HE22 GLN 613 -15.226 -2.162 14.689 905 H ASP 614 HN ASP 614 -14.673 -2.213 7.850 906 HA ASP 614 HA ASP 614 -16.979 -1.913 6.240 907 HB2 ASP 614 HB2 ASP 614 -14.210 -0.807 6.132 908 HB3 ASP 614 HB3 ASP 614 -15.236 -0.636 4.711 909 H ILE 615 HN ILE 615 -13.931 -3.615 5.679 910 HA ILE 615 HA ILE 615 -14.391 -4.323 2.995 911 HB ILE 615 HB ILE 615 -12.821 -5.781 5.125 912 HG12 ILE 615 HG12 ILE 615 -11.903 -3.948 2.902 913 HG13 ILE 615 HG13 ILE 615 -12.047 -3.492 4.603 914 HG21 ILE 615 HG21 ILE 615 -12.847 -6.180 2.140 915 HG22 ILE 615 HG22 ILE 615 -13.376 -7.330 3.369 916 HG23 ILE 615 HG23 ILE 615 -11.672 -6.892 3.245 917 HD11 ILE 615 HD11 ILE 615 -9.773 -3.966 4.158 918 HD12 ILE 615 HD12 ILE 615 -10.178 -5.502 3.395 919 HD13 ILE 615 HD13 ILE 615 -10.408 -5.290 5.131 920 H HIS 616 HN HIS 616 -15.077 -6.083 6.008 921 HA HIS 616 HA HIS 616 -16.194 -8.341 4.708 922 HB2 HIS 616 HB2 HIS 616 -16.410 -7.349 7.549 923 HB3 HIS 616 HB3 HIS 616 -17.151 -8.848 7.001 924 HD1 HIS 616 HD1 HIS 616 -15.434 -10.692 6.061 925 HD2 HIS 616 HD2 HIS 616 -13.771 -7.557 8.228 926 HE1 HIS 616 HE1 HIS 616 -13.136 -11.471 6.731 927 HE2 HIS 616 HE2 HIS 616 -12.070 -9.459 7.804 928 H SER 617 HN SER 617 -17.487 -5.285 5.700 929 HA SER 617 HA SER 617 -20.225 -6.001 5.481 930 HB2 SER 617 HB2 SER 617 -19.420 -4.067 6.812 931 HB3 SER 617 HB3 SER 617 -18.941 -3.263 5.318 932 HG SER 617 HG SER 617 -21.594 -4.148 5.760 933 H GLN 618 HN GLN 618 -17.772 -5.149 3.188 934 HA GLN 618 HA GLN 618 -19.843 -4.714 1.136 935 HB2 GLN 618 HB2 GLN 618 -17.103 -3.471 1.352 936 HB3 GLN 618 HB3 GLN 618 -18.144 -3.320 -0.055 937 HG2 GLN 618 HG2 GLN 618 -19.804 -2.158 1.252 938 HG3 GLN 618 HG3 GLN 618 -18.853 -2.390 2.717 939 HE21 GLN 618 HE21 GLN 618 -18.741 -0.176 3.063 940 HE22 GLN 618 HE22 GLN 618 -17.718 0.853 2.117 941 H ARG 619 HN ARG 619 -16.334 -5.236 0.906 942 HA ARG 619 HA ARG 619 -16.836 -7.601 -0.748 943 HB2 ARG 619 HB2 ARG 619 -15.225 -5.183 -1.574 944 HB3 ARG 619 HB3 ARG 619 -15.174 -6.728 -2.412 945 HG2 ARG 619 HG2 ARG 619 -17.458 -6.541 -3.059 946 HG3 ARG 619 HG3 ARG 619 -17.697 -5.138 -2.016 947 HD2 ARG 619 HD2 ARG 619 -15.833 -5.229 -4.385 948 HD3 ARG 619 HD3 ARG 619 -17.465 -4.560 -4.414 949 HE ARG 619 HE ARG 619 -15.741 -3.427 -2.393 950 HH11 ARG 619 HH11 ARG 619 -16.873 -3.193 -5.699 951 HH12 ARG 619 HH12 ARG 619 -16.488 -1.510 -5.848 952 HH21 ARG 619 HH21 ARG 619 -15.221 -1.211 -2.586 953 HH22 ARG 619 HH22 ARG 619 -15.541 -0.380 -4.075 954 H GLU 620 HN GLU 620 -15.955 -8.895 0.869 955 HA GLU 620 HA GLU 620 -13.229 -8.371 1.732 956 HB2 GLU 620 HB2 GLU 620 -13.561 -10.398 3.157 957 HB3 GLU 620 HB3 GLU 620 -14.705 -9.103 3.474 958 HG2 GLU 620 HG2 GLU 620 -16.431 -10.257 2.276 959 HG3 GLU 620 HG3 GLU 620 -15.293 -11.497 1.749 960 H ARG 621 HN ARG 621 -11.531 -9.888 1.464 961 HA ARG 621 HA ARG 621 -11.899 -11.556 -0.929 962 HB2 ARG 621 HB2 ARG 621 -10.299 -9.464 -0.923 963 HB3 ARG 621 HB3 ARG 621 -9.204 -10.557 -0.087 964 HG2 ARG 621 HG2 ARG 621 -8.674 -10.652 -2.397 965 HG3 ARG 621 HG3 ARG 621 -9.499 -12.159 -1.992 966 HD2 ARG 621 HD2 ARG 621 -11.625 -11.094 -2.800 967 HD3 ARG 621 HD3 ARG 621 -10.649 -9.755 -3.391 968 HE ARG 621 HE ARG 621 -9.833 -12.352 -4.345 969 HH11 ARG 621 HH11 ARG 621 -11.805 -9.521 -4.914 970 HH12 ARG 621 HH12 ARG 621 -12.011 -9.842 -6.606 971 HH21 ARG 621 HH21 ARG 621 -10.108 -12.784 -6.591 972 HH22 ARG 621 HH22 ARG 621 -11.051 -11.693 -7.558 Start of MODEL 19 1 HO5' ADN 1 H5T ADE 1 12.555 -0.806 -14.371 2 H5'1 ADN 1 H5' ADE 1 11.373 -0.404 -12.364 3 H5'2 ADN 1 H5'' ADE 1 10.130 -1.468 -13.041 4 H4' ADN 1 H4' ADE 1 11.150 0.759 -14.720 5 H3' ADN 1 H3' ADE 1 10.412 1.611 -12.277 6 H2' ADN 1 H2' ADE 1 8.213 0.647 -12.206 7 HO2' ADN 1 HO2' ADE 1 7.442 2.792 -13.846 8 H1' ADN 1 H1' ADE 1 7.794 1.331 -15.162 9 H8 ADN 1 H8 ADE 1 7.944 -2.224 -14.133 10 HN61 ADN 1 H61 ADE 1 3.205 -3.192 -13.792 11 HN62 ADN 1 H62 ADE 1 1.768 -2.195 -13.811 12 H2 ADN 1 H2 ADE 1 3.162 2.049 -14.289 13 H5' U 2 H5' URI 2 11.099 5.324 -10.737 14 H5'' U 2 H5'' URI 2 10.239 3.966 -9.987 15 H4' U 2 H4' URI 2 9.438 6.780 -10.347 16 H3' U 2 H3' URI 2 9.830 5.429 -8.074 17 H2' U 2 H2' URI 2 8.170 3.690 -8.511 18 HO2' U 2 HO2' URI 2 6.947 5.873 -7.145 19 H1' U 2 H1' URI 2 6.306 5.964 -9.425 20 H3 U 2 H3 URI 2 2.949 3.455 -10.865 21 H5 U 2 H5 URI 2 6.183 0.787 -11.040 22 H6 U 2 H6 URI 2 7.594 2.561 -10.235 23 H5' C 3 H5' CYT 3 7.498 8.405 -6.071 24 H5'' C 3 H5'' CYT 3 8.457 9.672 -5.284 25 H4' C 3 H4' CYT 3 7.216 8.358 -3.674 26 H3' C 3 H3' CYT 3 9.788 9.098 -3.276 27 H2' C 3 H2' CYT 3 10.831 7.042 -3.935 28 HO2' C 3 HO2' CYT 3 11.148 7.423 -1.592 29 H1' C 3 H1' CYT 3 8.550 5.498 -2.582 30 H41 C 3 H41 CYT 3 11.607 1.589 -6.975 31 H42 C 3 H42 CYT 3 10.986 0.571 -5.694 32 H5 C 3 H5 CYT 3 11.320 3.996 -6.996 33 H6 C 3 H6 CYT 3 10.382 5.903 -5.798 34 H5' U 4 H5' URI 4 6.053 9.436 -1.085 35 H5'' U 4 H5'' URI 4 6.591 11.124 -1.171 36 H4' U 4 H4' URI 4 4.543 10.772 0.161 37 H3' U 4 H3' URI 4 6.402 12.625 0.720 38 H2' U 4 H2' URI 4 7.699 11.212 2.240 39 HO2' U 4 HO2' URI 4 5.713 12.704 3.614 40 H1' U 4 H1' URI 4 4.965 10.353 3.381 41 H3 U 4 H3 URI 4 7.314 8.372 6.700 42 H5 U 4 H5 URI 4 8.610 6.468 3.192 43 H6 U 4 H6 URI 4 7.396 8.124 1.936 44 H5' U 5 H5' URI 5 2.941 13.416 -0.477 45 H5'' U 5 H5'' URI 5 2.021 14.930 -0.383 46 H4' U 5 H4' URI 5 0.645 12.877 -0.561 47 H3' U 5 H3' URI 5 -0.002 15.103 0.871 48 H2' U 5 H2' URI 5 0.621 14.260 3.038 49 HO2' U 5 HO2' URI 5 -1.712 12.773 3.098 50 H1' U 5 H1' URI 5 -0.439 11.516 2.152 51 H3 U 5 H3 URI 5 0.382 9.968 6.277 52 H5 U 5 H5 URI 5 4.018 11.744 5.149 53 H6 U 5 H6 URI 5 2.918 12.558 3.167 54 H5' A 6 H5' ADE 6 -2.834 17.133 -0.595 55 H5'' A 6 H5'' ADE 6 -2.466 16.749 -2.288 56 H4' A 6 H4' ADE 6 -1.833 19.031 -1.651 57 H3' A 6 H3' ADE 6 -0.381 17.473 -3.309 58 HO3' A 6 H3T ADE 6 -0.530 20.044 -2.684 59 H2' A 6 H2' ADE 6 1.156 16.630 -1.637 60 HO2' A 6 HO2' ADE 6 2.127 19.081 -2.703 61 H1' A 6 H1' ADE 6 1.206 19.480 -0.473 62 H8 A 6 H8 ADE 6 3.719 17.922 -0.016 63 H61 A 6 H61 ADE 6 3.880 15.768 4.326 64 H62 A 6 H62 ADE 6 2.662 15.354 5.510 65 H2 A 6 H2 ADE 6 -1.281 16.645 3.805 66 H1 GLY 510 HT1 GLY 510 12.803 -6.803 -9.029 67 H2 GLY 510 HT2 GLY 510 12.600 -8.476 -8.924 68 H3 GLY 510 HT3 GLY 510 13.567 -7.819 -10.143 69 HA2 GLY 510 HA3 GLY 510 14.947 -8.757 -8.420 70 HA3 GLY 510 HA2 GLY 510 15.142 -7.013 -8.511 71 H ALA 511 HN ALA 511 15.687 -8.750 -6.253 72 HA ALA 511 HA ALA 511 13.938 -7.429 -4.303 73 HB1 ALA 511 HB1 ALA 511 14.645 -10.363 -4.225 74 HB2 ALA 511 HB2 ALA 511 13.059 -9.695 -4.613 75 HB3 ALA 511 HB3 ALA 511 13.735 -9.483 -2.999 76 H MET 512 HN MET 512 16.667 -6.937 -5.228 77 HA MET 512 HA MET 512 18.394 -7.853 -3.089 78 HB2 MET 512 HB2 MET 512 19.234 -7.671 -5.409 79 HB3 MET 512 HB3 MET 512 18.957 -5.937 -5.362 80 HG2 MET 512 HG2 MET 512 21.302 -6.468 -5.016 81 HG3 MET 512 HG3 MET 512 20.602 -5.700 -3.592 82 HE1 MET 512 HE1 MET 512 23.232 -8.139 -2.033 83 HE2 MET 512 HE2 MET 512 22.654 -6.477 -2.105 84 HE3 MET 512 HE3 MET 512 23.384 -7.220 -3.529 85 H ALA 513 HN ALA 513 19.375 -6.539 -1.555 86 HA ALA 513 HA ALA 513 19.484 -4.924 0.032 87 HB1 ALA 513 HB1 ALA 513 19.343 -2.594 -0.672 88 HB2 ALA 513 HB2 ALA 513 18.625 -3.091 -2.205 89 HB3 ALA 513 HB3 ALA 513 20.286 -3.543 -1.821 90 H GLN 514 HN GLN 514 17.323 -6.409 0.279 91 HA GLN 514 HA GLN 514 15.174 -4.500 0.891 92 HB2 GLN 514 HB2 GLN 514 14.984 -7.286 -0.230 93 HB3 GLN 514 HB3 GLN 514 13.624 -6.498 0.559 94 HG2 GLN 514 HG2 GLN 514 15.076 -5.435 -1.855 95 HG3 GLN 514 HG3 GLN 514 13.549 -6.320 -1.890 96 HE21 GLN 514 HE21 GLN 514 15.114 -3.334 -1.058 97 HE22 GLN 514 HE22 GLN 514 13.668 -2.410 -0.841 98 H ARG 515 HN ARG 515 14.957 -4.291 2.985 99 HA ARG 515 HA ARG 515 15.208 -6.678 4.685 100 HB2 ARG 515 HB2 ARG 515 15.501 -3.740 5.291 101 HB3 ARG 515 HB3 ARG 515 15.201 -4.913 6.565 102 HG2 ARG 515 HG2 ARG 515 17.243 -6.126 5.870 103 HG3 ARG 515 HG3 ARG 515 17.560 -4.843 4.702 104 HD2 ARG 515 HD2 ARG 515 17.150 -4.213 7.600 105 HD3 ARG 515 HD3 ARG 515 18.718 -4.758 7.014 106 HE ARG 515 HE ARG 515 18.444 -2.786 5.389 107 HH11 ARG 515 HH11 ARG 515 17.186 -2.808 8.659 108 HH12 ARG 515 HH12 ARG 515 17.430 -1.107 8.898 109 HH21 ARG 515 HH21 ARG 515 18.797 -0.546 5.715 110 HH22 ARG 515 HH22 ARG 515 18.343 0.179 7.225 111 H LYS 516 HN LYS 516 13.398 -7.513 5.536 112 HA LYS 516 HA LYS 516 10.997 -5.842 5.713 113 HB2 LYS 516 HB2 LYS 516 11.133 -8.488 4.252 114 HB3 LYS 516 HB3 LYS 516 9.638 -7.666 4.674 115 HG2 LYS 516 HG2 LYS 516 11.780 -6.563 2.869 116 HG3 LYS 516 HG3 LYS 516 10.278 -7.317 2.335 117 HD2 LYS 516 HD2 LYS 516 8.975 -5.571 3.360 118 HD3 LYS 516 HD3 LYS 516 10.419 -4.869 4.090 119 HE2 LYS 516 HE2 LYS 516 9.840 -5.070 1.142 120 HE3 LYS 516 HE3 LYS 516 9.731 -3.609 2.122 121 HZ1 LYS 516 HZ1 LYS 516 12.103 -3.764 2.559 122 HZ2 LYS 516 HZ2 LYS 516 11.810 -3.703 0.892 123 HZ3 LYS 516 HZ3 LYS 516 12.203 -5.173 1.627 124 H GLY 517 HN GLY 517 12.496 -6.574 7.866 125 HA2 GLY 517 HA2 GLY 517 10.944 -8.779 9.073 126 HA3 GLY 517 HA3 GLY 517 12.562 -8.315 9.577 127 H ALA 518 HN ALA 518 12.839 -6.294 10.684 128 HA ALA 518 HA ALA 518 10.592 -5.697 12.413 129 HB1 ALA 518 HB1 ALA 518 12.188 -4.393 13.716 130 HB2 ALA 518 HB2 ALA 518 13.407 -4.623 12.464 131 HB3 ALA 518 HB3 ALA 518 12.816 -6.006 13.385 132 H GLY 519 HN GLY 519 11.755 -4.598 9.553 133 HA2 GLY 519 HA2 GLY 519 10.149 -2.158 9.715 134 HA3 GLY 519 HA3 GLY 519 11.824 -2.012 9.190 135 H ARG 520 HN ARG 520 8.706 -2.359 8.098 136 HA ARG 520 HA ARG 520 9.709 -3.486 5.561 137 HB2 ARG 520 HB2 ARG 520 6.932 -3.829 6.704 138 HB3 ARG 520 HB3 ARG 520 7.533 -4.517 5.202 139 HG2 ARG 520 HG2 ARG 520 8.817 -6.096 6.286 140 HG3 ARG 520 HG3 ARG 520 8.876 -5.166 7.787 141 HD2 ARG 520 HD2 ARG 520 6.472 -6.586 6.646 142 HD3 ARG 520 HD3 ARG 520 7.418 -7.087 8.048 143 HE ARG 520 HE ARG 520 5.764 -4.634 7.917 144 HH11 ARG 520 HH11 ARG 520 7.197 -7.281 9.739 145 HH12 ARG 520 HH12 ARG 520 6.493 -6.786 11.242 146 HH21 ARG 520 HH21 ARG 520 4.871 -3.976 9.890 147 HH22 ARG 520 HH22 ARG 520 5.159 -4.913 11.330 148 H VAL 521 HN VAL 521 9.410 -2.250 3.856 149 HA VAL 521 HA VAL 521 7.196 -0.326 3.899 150 HB VAL 521 HB VAL 521 9.762 -0.041 2.345 151 HG11 VAL 521 HG11 VAL 521 8.039 0.872 1.022 152 HG12 VAL 521 HG12 VAL 521 8.784 2.238 1.852 153 HG13 VAL 521 HG13 VAL 521 7.247 1.587 2.421 154 HG21 VAL 521 HG21 VAL 521 10.218 1.824 3.790 155 HG22 VAL 521 HG22 VAL 521 9.953 0.384 4.771 156 HG23 VAL 521 HG23 VAL 521 8.683 1.599 4.623 157 H VAL 522 HN VAL 522 5.600 -0.785 2.581 158 HA VAL 522 HA VAL 522 6.202 -2.290 0.122 159 HB VAL 522 HB VAL 522 3.583 -2.351 1.632 160 HG11 VAL 522 HG11 VAL 522 3.306 -2.817 -0.707 161 HG12 VAL 522 HG12 VAL 522 3.139 -4.322 0.201 162 HG13 VAL 522 HG13 VAL 522 4.632 -3.979 -0.673 163 HG21 VAL 522 HG21 VAL 522 5.294 -3.395 2.998 164 HG22 VAL 522 HG22 VAL 522 5.800 -4.393 1.635 165 HG23 VAL 522 HG23 VAL 522 4.201 -4.616 2.344 166 H HIS 523 HN HIS 523 5.768 -1.101 -1.711 167 HA HIS 523 HA HIS 523 4.379 1.438 -1.261 168 HB2 HIS 523 HB2 HIS 523 6.747 1.530 -1.985 169 HB3 HIS 523 HB3 HIS 523 6.331 0.612 -3.424 170 HD1 HIS 523 HD1 HIS 523 5.199 1.888 -5.356 171 HD2 HIS 523 HD2 HIS 523 5.972 4.230 -2.011 172 HE1 HIS 523 HE1 HIS 523 4.922 4.267 -6.116 173 HE2 HIS 523 HE2 HIS 523 5.646 5.650 -4.142 174 H ILE 524 HN ILE 524 2.580 1.890 -2.316 175 HA ILE 524 HA ILE 524 1.669 0.010 -4.389 176 HB ILE 524 HB ILE 524 -0.003 1.798 -2.609 177 HG12 ILE 524 HG12 ILE 524 0.571 -1.168 -2.474 178 HG13 ILE 524 HG13 ILE 524 1.022 0.048 -1.289 179 HG21 ILE 524 HG21 ILE 524 -1.103 1.412 -4.711 180 HG22 ILE 524 HG22 ILE 524 -1.892 0.430 -3.475 181 HG23 ILE 524 HG23 ILE 524 -0.773 -0.317 -4.615 182 HD11 ILE 524 HD11 ILE 524 -1.313 0.405 -0.744 183 HD12 ILE 524 HD12 ILE 524 -0.864 -1.292 -0.549 184 HD13 ILE 524 HD13 ILE 524 -1.788 -0.778 -1.964 185 H CYS 525 HN CYS 525 1.086 0.851 -6.352 186 HA CYS 525 HA CYS 525 1.082 3.751 -6.644 187 HB2 CYS 525 HB2 CYS 525 2.607 3.248 -8.756 188 HB3 CYS 525 HB3 CYS 525 3.295 3.568 -7.169 189 HG CYS 525 HG CYS 525 2.727 0.350 -7.388 190 H ASN 526 HN ASN 526 0.441 4.458 -8.769 191 HA ASN 526 HA ASN 526 -0.707 4.394 -10.749 192 HB2 ASN 526 HB2 ASN 526 -1.087 1.447 -10.192 193 HB3 ASN 526 HB3 ASN 526 -1.773 2.275 -11.584 194 HD21 ASN 526 HD21 ASN 526 0.127 0.088 -11.484 195 HD22 ASN 526 HD22 ASN 526 1.541 0.633 -12.317 196 H LEU 527 HN LEU 527 -1.603 4.827 -8.002 197 HA LEU 527 HA LEU 527 -4.421 4.131 -7.988 198 HB2 LEU 527 HB2 LEU 527 -2.716 5.874 -6.195 199 HB3 LEU 527 HB1 LEU 527 -4.430 5.626 -5.952 200 HG LEU 527 HG LEU 527 -2.411 3.383 -5.910 201 HD11 LEU 527 HD11 LEU 527 -2.677 3.481 -3.450 202 HD12 LEU 527 HD12 LEU 527 -3.579 4.986 -3.636 203 HD13 LEU 527 HD13 LEU 527 -1.883 4.911 -4.110 204 HD21 LEU 527 HD21 LEU 527 -4.728 2.742 -6.394 205 HD22 LEU 527 HD22 LEU 527 -5.257 3.575 -4.934 206 HD23 LEU 527 HD23 LEU 527 -4.209 2.162 -4.812 207 HA PRO 528 HA PRO 528 -5.131 7.731 -10.549 208 HB2 PRO 528 HB2 PRO 528 -7.987 7.349 -10.032 209 HB3 PRO 528 HB1 PRO 528 -7.103 7.216 -11.552 210 HG2 PRO 528 HG2 PRO 528 -8.141 5.067 -10.284 211 HG3 PRO 528 HG3 PRO 528 -6.661 4.984 -11.256 212 HD2 PRO 528 HD2 PRO 528 -6.976 5.110 -8.283 213 HD3 PRO 528 HD3 PRO 528 -5.836 4.158 -9.259 214 H GLU 529 HN GLU 529 -5.125 9.803 -9.983 215 HA GLU 529 HA GLU 529 -5.710 10.697 -7.370 216 HB2 GLU 529 HB2 GLU 529 -4.095 11.838 -8.798 217 HB3 GLU 529 HB3 GLU 529 -5.365 12.241 -9.947 218 HG2 GLU 529 HG2 GLU 529 -6.457 13.594 -8.177 219 HG3 GLU 529 HG3 GLU 529 -5.070 13.271 -7.136 220 H GLY 530 HN GLY 530 -7.577 11.477 -6.493 221 HA2 GLY 530 HA2 GLY 530 -9.779 12.326 -6.567 222 HA3 GLY 530 HA3 GLY 530 -9.849 11.928 -8.279 223 H SER 531 HN SER 531 -8.441 9.400 -6.677 224 HA SER 531 HA SER 531 -10.893 8.058 -5.924 225 HB2 SER 531 HB2 SER 531 -10.654 7.654 -8.388 226 HB3 SER 531 HB3 SER 531 -9.092 6.902 -8.068 227 HG SER 531 HG SER 531 -10.458 5.559 -6.520 228 H CYS 532 HN CYS 532 -8.035 8.966 -5.077 229 HA CYS 532 HA CYS 532 -6.948 6.419 -4.145 230 HB2 CYS 532 HB2 CYS 532 -5.863 9.233 -3.875 231 HB3 CYS 532 HB3 CYS 532 -5.028 7.774 -3.365 232 HG CYS 532 HG CYS 532 -5.942 8.020 -6.614 233 H THR 533 HN THR 533 -8.532 5.879 -2.582 234 HA THR 533 HA THR 533 -8.794 7.808 -0.375 235 HB THR 533 HB THR 533 -10.783 6.662 0.317 236 HG1 THR 533 HG1 THR 533 -10.904 4.801 -1.720 237 HG21 THR 533 HG21 THR 533 -12.225 6.824 -1.669 238 HG22 THR 533 HG22 THR 533 -10.794 6.892 -2.696 239 HG23 THR 533 HG23 THR 533 -11.122 8.194 -1.553 240 H GLU 534 HN GLU 534 -8.524 7.049 1.769 241 HA GLU 534 HA GLU 534 -6.423 5.208 2.127 242 HB2 GLU 534 HB2 GLU 534 -8.348 6.257 4.201 243 HB3 GLU 534 HB3 GLU 534 -6.772 5.541 4.502 244 HG2 GLU 534 HG2 GLU 534 -5.677 7.382 3.308 245 HG3 GLU 534 HG3 GLU 534 -7.260 8.083 2.961 246 H ASN 535 HN ASN 535 -9.866 4.976 2.176 247 HA ASN 535 HA ASN 535 -10.122 2.449 3.382 248 HB2 ASN 535 HB2 ASN 535 -11.863 3.962 1.448 249 HB3 ASN 535 HB3 ASN 535 -12.288 2.346 1.994 250 HD21 ASN 535 HD21 ASN 535 -14.114 3.001 3.025 251 HD22 ASN 535 HD22 ASN 535 -14.095 3.930 4.478 252 H ASP 536 HN ASP 536 -9.709 3.338 -0.089 253 HA ASP 536 HA ASP 536 -10.229 0.657 -0.965 254 HB2 ASP 536 HB2 ASP 536 -8.991 3.019 -2.392 255 HB3 ASP 536 HB3 ASP 536 -9.286 1.470 -3.166 256 H VAL 537 HN VAL 537 -7.366 2.585 -0.555 257 HA VAL 537 HA VAL 537 -5.457 0.762 -1.536 258 HB VAL 537 HB VAL 537 -5.003 2.826 0.637 259 HG11 VAL 537 HG11 VAL 537 -2.705 2.871 -0.158 260 HG12 VAL 537 HG12 VAL 537 -3.086 1.655 -1.376 261 HG13 VAL 537 HG13 VAL 537 -3.147 1.235 0.337 262 HG21 VAL 537 HG21 VAL 537 -4.408 4.343 -1.195 263 HG22 VAL 537 HG22 VAL 537 -6.091 3.827 -1.294 264 HG23 VAL 537 HG23 VAL 537 -4.884 3.111 -2.362 265 H ILE 538 HN ILE 538 -6.561 1.361 1.776 266 HA ILE 538 HA ILE 538 -5.101 -0.787 2.901 267 HB ILE 538 HB ILE 538 -7.451 0.752 3.975 268 HG12 ILE 538 HG12 ILE 538 -4.490 0.818 4.574 269 HG13 ILE 538 HG13 ILE 538 -5.410 2.055 3.723 270 HG21 ILE 538 HG21 ILE 538 -5.738 -1.358 5.274 271 HG22 ILE 538 HG22 ILE 538 -7.477 -1.423 4.996 272 HG23 ILE 538 HG23 ILE 538 -6.814 -0.272 6.153 273 HD11 ILE 538 HD11 ILE 538 -4.934 2.643 6.058 274 HD12 ILE 538 HD12 ILE 538 -5.870 1.238 6.579 275 HD13 ILE 538 HD13 ILE 538 -6.662 2.556 5.712 276 H ASN 539 HN ASN 539 -8.374 -0.557 1.538 277 HA ASN 539 HA ASN 539 -9.356 -3.024 2.389 278 HB2 ASN 539 HB2 ASN 539 -9.845 -1.603 -0.235 279 HB3 ASN 539 HB3 ASN 539 -10.673 -3.079 0.227 280 HD21 ASN 539 HD21 ASN 539 -10.800 -2.126 3.074 281 HD22 ASN 539 HD22 ASN 539 -12.075 -0.972 3.078 282 H LEU 540 HN LEU 540 -7.002 -2.248 -0.063 283 HA LEU 540 HA LEU 540 -6.909 -4.888 -1.151 284 HB2 LEU 540 HB2 LEU 540 -4.874 -2.660 -1.181 285 HB3 LEU 540 HB1 LEU 540 -4.783 -4.120 -2.147 286 HG LEU 540 HG LEU 540 -6.895 -1.976 -2.371 287 HD11 LEU 540 HD11 LEU 540 -4.693 -1.307 -3.201 288 HD12 LEU 540 HD12 LEU 540 -5.867 -1.482 -4.503 289 HD13 LEU 540 HD13 LEU 540 -4.656 -2.735 -4.235 290 HD21 LEU 540 HD21 LEU 540 -7.635 -3.216 -4.353 291 HD22 LEU 540 HD22 LEU 540 -7.823 -4.162 -2.879 292 HD23 LEU 540 HD23 LEU 540 -6.482 -4.496 -3.976 293 H GLY 541 HN GLY 541 -5.050 -3.064 1.264 294 HA2 GLY 541 HA2 GLY 541 -3.170 -5.061 1.832 295 HA3 GLY 541 HA3 GLY 541 -3.601 -3.724 2.887 296 H LEU 542 HN LEU 542 -6.166 -4.325 3.638 297 HA LEU 542 HA LEU 542 -5.490 -5.833 5.860 298 HB2 LEU 542 HB2 LEU 542 -8.098 -4.870 4.810 299 HB3 LEU 542 HB1 LEU 542 -8.051 -5.897 6.228 300 HG LEU 542 HG LEU 542 -6.533 -3.302 5.998 301 HD11 LEU 542 HD11 LEU 542 -8.913 -2.861 5.874 302 HD12 LEU 542 HD12 LEU 542 -8.281 -2.374 7.446 303 HD13 LEU 542 HD13 LEU 542 -9.195 -3.872 7.288 304 HD21 LEU 542 HD21 LEU 542 -7.199 -5.072 8.348 305 HD22 LEU 542 HD22 LEU 542 -6.349 -3.529 8.427 306 HD23 LEU 542 HD23 LEU 542 -5.615 -4.900 7.597 307 HA PRO 543 HA PRO 543 -8.262 -9.495 4.218 308 HB2 PRO 543 HB2 PRO 543 -7.590 -9.270 1.321 309 HB3 PRO 543 HB1 PRO 543 -9.096 -9.786 2.094 310 HG2 PRO 543 HG2 PRO 543 -8.969 -7.382 1.025 311 HG3 PRO 543 HG3 PRO 543 -9.720 -7.580 2.627 312 HD2 PRO 543 HD2 PRO 543 -6.945 -6.633 1.944 313 HD3 PRO 543 HD3 PRO 543 -8.117 -5.937 3.083 314 H PHE 544 HN PHE 544 -5.093 -8.603 2.910 315 HA PHE 544 HA PHE 544 -4.301 -11.426 3.011 316 HB2 PHE 544 HB2 PHE 544 -2.857 -9.021 1.889 317 HB3 PHE 544 HB3 PHE 544 -2.231 -10.664 1.870 318 HD1 PHE 544 HD1 PHE 544 -3.443 -12.404 0.545 319 HD2 PHE 544 HD2 PHE 544 -4.359 -8.260 0.263 320 HE1 PHE 544 HE1 PHE 544 -4.570 -12.802 -1.604 321 HE2 PHE 544 HE2 PHE 544 -5.485 -8.651 -1.889 322 HZ PHE 544 HZ PHE 544 -5.620 -10.928 -2.810 323 H GLY 545 HN GLY 545 -4.298 -8.717 4.966 324 HA2 GLY 545 HA2 GLY 545 -2.916 -9.817 7.077 325 HA3 GLY 545 HA3 GLY 545 -1.707 -8.940 6.150 326 H LYS 546 HN LYS 546 -2.625 -8.394 8.847 327 HA LYS 546 HA LYS 546 -4.455 -6.248 8.874 328 HB2 LYS 546 HB2 LYS 546 -4.002 -7.484 10.895 329 HB3 LYS 546 HB3 LYS 546 -2.306 -7.032 10.844 330 HG2 LYS 546 HG2 LYS 546 -3.516 -5.757 12.522 331 HG3 LYS 546 HG3 LYS 546 -2.897 -4.704 11.256 332 HD2 LYS 546 HD2 LYS 546 -5.067 -4.517 10.265 333 HD3 LYS 546 HD3 LYS 546 -5.719 -5.762 11.331 334 HE2 LYS 546 HE2 LYS 546 -6.354 -3.468 12.011 335 HE3 LYS 546 HE3 LYS 546 -5.449 -4.334 13.249 336 HZ1 LYS 546 HZ1 LYS 546 -4.247 -2.364 11.370 337 HZ2 LYS 546 HZ2 LYS 546 -3.488 -3.110 12.687 338 HZ3 LYS 546 HZ3 LYS 546 -4.739 -2.007 12.952 339 H VAL 547 HN VAL 547 -4.255 -4.218 8.378 340 HA VAL 547 HA VAL 547 -1.706 -3.102 7.574 341 HB VAL 547 HB VAL 547 -4.528 -2.026 7.469 342 HG11 VAL 547 HG11 VAL 547 -3.711 -0.165 6.192 343 HG12 VAL 547 HG12 VAL 547 -2.059 -0.787 6.264 344 HG13 VAL 547 HG13 VAL 547 -2.851 -0.213 7.732 345 HG21 VAL 547 HG21 VAL 547 -4.220 -3.793 5.914 346 HG22 VAL 547 HG22 VAL 547 -2.672 -3.138 5.385 347 HG23 VAL 547 HG23 VAL 547 -4.164 -2.280 5.011 348 H THR 548 HN THR 548 -0.448 -2.190 9.059 349 HA THR 548 HA THR 548 -1.665 -1.011 11.433 350 HB THR 548 HB THR 548 0.738 -0.907 12.226 351 HG1 THR 548 HG1 THR 548 2.231 -2.128 11.006 352 HG21 THR 548 HG21 THR 548 0.871 -3.342 12.636 353 HG22 THR 548 HG22 THR 548 -0.415 -3.589 11.455 354 HG23 THR 548 HG23 THR 548 -0.741 -2.696 12.940 355 H ASN 549 HN ASN 549 0.287 -0.134 8.657 356 HA ASN 549 HA ASN 549 -0.197 2.688 9.271 357 HB2 ASN 549 HB2 ASN 549 2.544 1.610 8.548 358 HB3 ASN 549 HB3 ASN 549 2.131 3.307 8.742 359 HD21 ASN 549 HD21 ASN 549 1.786 4.122 10.821 360 HD22 ASN 549 HD22 ASN 549 2.331 3.282 12.229 361 H TYR 550 HN TYR 550 -0.097 4.062 7.464 362 HA TYR 550 HA TYR 550 0.358 3.018 4.828 363 HB2 TYR 550 HB2 TYR 550 -1.991 3.438 4.063 364 HB3 TYR 550 HB3 TYR 550 -1.849 2.088 5.183 365 HD1 TYR 550 HD1 TYR 550 -3.718 4.945 4.412 366 HD2 TYR 550 HD2 TYR 550 -2.199 2.770 7.737 367 HE1 TYR 550 HE1 TYR 550 -5.418 5.967 5.871 368 HE2 TYR 550 HE2 TYR 550 -3.900 3.778 9.186 369 HH TYR 550 HH TYR 550 -5.387 5.547 9.319 370 H ILE 551 HN ILE 551 0.321 4.691 3.218 371 HA ILE 551 HA ILE 551 -0.001 7.448 4.167 372 HB ILE 551 HB ILE 551 2.470 6.517 2.692 373 HG12 ILE 551 HG12 ILE 551 2.266 7.191 5.640 374 HG13 ILE 551 HG13 ILE 551 2.426 5.562 4.994 375 HG21 ILE 551 HG21 ILE 551 3.356 8.723 3.319 376 HG22 ILE 551 HG22 ILE 551 1.812 9.112 4.076 377 HG23 ILE 551 HG23 ILE 551 1.896 8.840 2.334 378 HD11 ILE 551 HD11 ILE 551 4.606 6.148 4.068 379 HD12 ILE 551 HD12 ILE 551 4.548 6.396 5.813 380 HD13 ILE 551 HD13 ILE 551 4.443 7.777 4.722 381 H LEU 552 HN LEU 552 -1.113 8.546 2.523 382 HA LEU 552 HA LEU 552 -1.045 7.223 -0.095 383 HB2 LEU 552 HB2 LEU 552 -3.334 8.759 1.104 384 HB3 LEU 552 HB1 LEU 552 -3.291 8.094 -0.517 385 HG LEU 552 HG LEU 552 -3.470 6.644 2.098 386 HD11 LEU 552 HD11 LEU 552 -5.566 7.235 1.322 387 HD12 LEU 552 HD12 LEU 552 -5.352 5.585 0.730 388 HD13 LEU 552 HD13 LEU 552 -5.130 6.948 -0.360 389 HD21 LEU 552 HD21 LEU 552 -3.305 4.546 0.815 390 HD22 LEU 552 HD22 LEU 552 -1.791 5.449 0.852 391 HD23 LEU 552 HD23 LEU 552 -2.797 5.476 -0.598 392 H MET 553 HN MET 553 -0.249 8.408 -1.742 393 HA MET 553 HA MET 553 -0.279 11.327 -1.365 394 HB2 MET 553 HB2 MET 553 1.675 9.700 -3.008 395 HB3 MET 553 HB3 MET 553 1.632 11.453 -2.926 396 HG2 MET 553 HG2 MET 553 3.333 10.921 -1.478 397 HG3 MET 553 HG3 MET 553 1.958 11.120 -0.395 398 HE1 MET 553 HE1 MET 553 2.983 8.117 -2.776 399 HE2 MET 553 HE2 MET 553 3.863 7.112 -1.623 400 HE3 MET 553 HE3 MET 553 4.479 8.708 -2.053 401 H LYS 554 HN LYS 554 -2.472 11.124 -2.195 402 HA LYS 554 HA LYS 554 -3.271 10.386 -4.637 403 HB2 LYS 554 HB2 LYS 554 -4.237 13.080 -3.987 404 HB3 LYS 554 HB3 LYS 554 -5.132 11.590 -4.233 405 HG2 LYS 554 HG2 LYS 554 -3.677 12.329 -1.698 406 HG3 LYS 554 HG3 LYS 554 -5.403 12.539 -1.974 407 HD2 LYS 554 HD2 LYS 554 -5.628 10.107 -2.276 408 HD3 LYS 554 HD3 LYS 554 -3.903 9.913 -1.955 409 HE2 LYS 554 HE2 LYS 554 -5.087 9.421 0.060 410 HE3 LYS 554 HE3 LYS 554 -4.285 10.975 0.273 411 HZ1 LYS 554 HZ1 LYS 554 -7.148 10.620 -0.431 412 HZ2 LYS 554 HZ2 LYS 554 -6.371 12.091 -0.137 413 HZ3 LYS 554 HZ3 LYS 554 -6.564 10.972 1.117 414 H SER 555 HN SER 555 -1.028 12.975 -4.022 415 HA SER 555 HA SER 555 -1.630 14.501 -6.348 416 HB2 SER 555 HB2 SER 555 0.478 15.688 -5.776 417 HB3 SER 555 HB3 SER 555 -0.630 15.559 -4.410 418 HG SER 555 HG SER 555 1.848 14.868 -4.405 419 H THR 556 HN THR 556 0.722 11.970 -5.574 420 HA THR 556 HA THR 556 1.846 12.224 -8.264 421 HB THR 556 HB THR 556 3.704 10.807 -7.360 422 HG1 THR 556 HG1 THR 556 2.959 11.399 -4.749 423 HG21 THR 556 HG21 THR 556 4.717 12.592 -6.009 424 HG22 THR 556 HG22 THR 556 3.145 13.382 -5.883 425 HG23 THR 556 HG23 THR 556 3.933 13.232 -7.454 426 H ASN 557 HN ASN 557 -0.585 10.581 -7.012 427 HA ASN 557 HA ASN 557 -1.654 8.611 -7.399 428 HB2 ASN 557 HB2 ASN 557 0.211 8.539 -9.785 429 HB3 ASN 557 HB3 ASN 557 -1.141 7.438 -9.552 430 HD21 ASN 557 HD21 ASN 557 -2.189 8.097 -11.395 431 HD22 ASN 557 HD22 ASN 557 -2.952 9.641 -11.534 432 H GLN 558 HN GLN 558 0.362 8.558 -5.546 433 HA GLN 558 HA GLN 558 1.437 5.831 -5.779 434 HB2 GLN 558 HB2 GLN 558 2.994 8.312 -5.043 435 HB3 GLN 558 HB3 GLN 558 3.584 6.681 -4.768 436 HG2 GLN 558 HG2 GLN 558 3.613 6.231 -7.123 437 HG3 GLN 558 HG3 GLN 558 2.840 7.777 -7.466 438 HE21 GLN 558 HE21 GLN 558 4.409 9.333 -5.621 439 HE22 GLN 558 HE22 GLN 558 6.003 9.431 -6.280 440 H ALA 559 HN ALA 559 1.882 4.825 -3.681 441 HA ALA 559 HA ALA 559 1.201 6.306 -1.306 442 HB1 ALA 559 HB1 ALA 559 -0.537 4.039 -2.252 443 HB2 ALA 559 HB2 ALA 559 -0.998 5.740 -2.118 444 HB3 ALA 559 HB3 ALA 559 -0.624 4.809 -0.663 445 H PHE 560 HN PHE 560 1.393 5.002 0.621 446 HA PHE 560 HA PHE 560 3.181 2.660 0.308 447 HB2 PHE 560 HB2 PHE 560 3.225 4.795 2.446 448 HB3 PHE 560 HB3 PHE 560 4.124 3.291 2.557 449 HD1 PHE 560 HD1 PHE 560 6.000 2.853 1.042 450 HD2 PHE 560 HD2 PHE 560 3.967 6.590 1.065 451 HE1 PHE 560 HE1 PHE 560 7.892 3.883 -0.145 452 HE2 PHE 560 HE2 PHE 560 5.853 7.627 -0.129 453 HZ PHE 560 HZ PHE 560 7.820 6.274 -0.733 454 H LEU 561 HN LEU 561 2.871 0.903 1.657 455 HA LEU 561 HA LEU 561 0.599 0.992 3.510 456 HB2 LEU 561 HB2 LEU 561 -0.231 0.163 1.352 457 HB3 LEU 561 HB1 LEU 561 1.016 -1.063 1.332 458 HG LEU 561 HG LEU 561 -0.013 -2.116 3.320 459 HD11 LEU 561 HD11 LEU 561 -2.269 -1.413 3.993 460 HD12 LEU 561 HD12 LEU 561 -2.139 -0.018 2.923 461 HD13 LEU 561 HD13 LEU 561 -1.059 -0.169 4.309 462 HD21 LEU 561 HD21 LEU 561 -1.839 -3.123 2.156 463 HD22 LEU 561 HD22 LEU 561 -0.591 -2.760 0.961 464 HD23 LEU 561 HD23 LEU 561 -2.013 -1.725 1.097 465 H GLU 562 HN GLU 562 1.344 0.354 5.397 466 HA GLU 562 HA GLU 562 3.503 -1.637 5.520 467 HB2 GLU 562 HB2 GLU 562 3.213 0.713 6.898 468 HB3 GLU 562 HB3 GLU 562 2.596 -0.458 8.055 469 HG2 GLU 562 HG2 GLU 562 5.293 -0.599 6.723 470 HG3 GLU 562 HG3 GLU 562 4.995 0.024 8.340 471 H MET 563 HN MET 563 3.279 -3.549 6.515 472 HA MET 563 HA MET 563 0.521 -4.341 7.196 473 HB2 MET 563 HB2 MET 563 2.555 -5.995 5.684 474 HB3 MET 563 HB3 MET 563 0.860 -6.388 5.963 475 HG2 MET 563 HG2 MET 563 0.109 -4.793 4.449 476 HG3 MET 563 HG3 MET 563 1.631 -3.908 4.481 477 HE1 MET 563 HE1 MET 563 1.737 -3.734 1.814 478 HE2 MET 563 HE2 MET 563 0.141 -4.485 1.819 479 HE3 MET 563 HE3 MET 563 1.407 -5.114 0.766 480 H ALA 564 HN ALA 564 0.360 -5.908 8.863 481 HA ALA 564 HA ALA 564 2.287 -5.412 10.875 482 HB1 ALA 564 HB1 ALA 564 0.881 -6.752 12.302 483 HB2 ALA 564 HB2 ALA 564 0.031 -7.406 10.904 484 HB3 ALA 564 HB3 ALA 564 -0.118 -5.696 11.305 485 H TYR 565 HN TYR 565 2.130 -7.794 8.473 486 HA TYR 565 HA TYR 565 4.289 -9.281 9.770 487 HB2 TYR 565 HB2 TYR 565 1.889 -10.564 8.446 488 HB3 TYR 565 HB3 TYR 565 3.304 -11.420 9.048 489 HD1 TYR 565 HD1 TYR 565 0.131 -9.908 9.895 490 HD2 TYR 565 HD2 TYR 565 3.727 -11.515 11.502 491 HE1 TYR 565 HE1 TYR 565 -0.954 -10.131 12.087 492 HE2 TYR 565 HE2 TYR 565 2.648 -11.742 13.699 493 HH TYR 565 HH TYR 565 0.788 -10.799 14.949 494 H THR 566 HN THR 566 5.819 -10.025 8.395 495 HA THR 566 HA THR 566 6.127 -8.798 5.888 496 HB THR 566 HB THR 566 7.999 -9.604 7.338 497 HG1 THR 566 HG1 THR 566 9.189 -9.603 5.601 498 HG21 THR 566 HG21 THR 566 7.243 -12.320 6.258 499 HG22 THR 566 HG22 THR 566 7.116 -11.799 7.938 500 HG23 THR 566 HG23 THR 566 8.700 -11.948 7.179 501 H GLU 567 HN GLU 567 4.745 -11.827 6.864 502 HA GLU 567 HA GLU 567 4.586 -13.229 4.483 503 HB2 GLU 567 HB2 GLU 567 2.718 -14.398 5.426 504 HB3 GLU 567 HB3 GLU 567 3.833 -14.035 6.734 505 HG2 GLU 567 HG2 GLU 567 2.435 -12.153 7.420 506 HG3 GLU 567 HG3 GLU 567 1.333 -12.487 6.086 507 H ALA 568 HN ALA 568 2.811 -10.431 5.532 508 HA ALA 568 HA ALA 568 0.651 -10.740 3.672 509 HB1 ALA 568 HB1 ALA 568 0.366 -9.574 5.817 510 HB2 ALA 568 HB2 ALA 568 -0.070 -8.555 4.444 511 HB3 ALA 568 HB3 ALA 568 1.472 -8.315 5.267 512 H ALA 569 HN ALA 569 3.653 -8.893 3.825 513 HA ALA 569 HA ALA 569 3.113 -7.188 1.653 514 HB1 ALA 569 HB1 ALA 569 5.495 -6.672 1.728 515 HB2 ALA 569 HB2 ALA 569 5.771 -8.063 2.778 516 HB3 ALA 569 HB3 ALA 569 4.805 -6.703 3.350 517 H GLN 570 HN GLN 570 4.945 -10.232 1.888 518 HA GLN 570 HA GLN 570 5.607 -10.243 -0.873 519 HB2 GLN 570 HB2 GLN 570 6.282 -12.598 -0.510 520 HB3 GLN 570 HB3 GLN 570 7.004 -11.478 0.634 521 HG2 GLN 570 HG2 GLN 570 5.410 -12.166 2.335 522 HG3 GLN 570 HG3 GLN 570 4.646 -13.265 1.185 523 HE21 GLN 570 HE21 GLN 570 5.953 -13.827 3.738 524 HE22 GLN 570 HE22 GLN 570 7.199 -14.970 3.393 525 H ALA 571 HN ALA 571 2.952 -11.592 0.999 526 HA ALA 571 HA ALA 571 1.867 -13.236 -1.004 527 HB1 ALA 571 HB1 ALA 571 0.438 -11.815 1.239 528 HB2 ALA 571 HB2 ALA 571 1.225 -13.389 1.353 529 HB3 ALA 571 HB3 ALA 571 -0.182 -13.182 0.311 530 H MET 572 HN MET 572 1.207 -9.845 -0.145 531 HA MET 572 HA MET 572 -0.863 -9.520 -2.051 532 HB2 MET 572 HB2 MET 572 0.898 -7.370 -0.863 533 HB3 MET 572 HB3 MET 572 -0.652 -7.127 -1.659 534 HG2 MET 572 HG2 MET 572 -1.629 -8.631 0.132 535 HG3 MET 572 HG3 MET 572 -0.094 -8.432 0.974 536 HE1 MET 572 HE1 MET 572 -1.667 -5.990 3.287 537 HE2 MET 572 HE2 MET 572 -0.347 -7.124 3.005 538 HE3 MET 572 HE3 MET 572 -2.019 -7.671 2.891 539 H VAL 573 HN VAL 573 2.619 -8.762 -2.161 540 HA VAL 573 HA VAL 573 2.599 -7.509 -4.663 541 HB VAL 573 HB VAL 573 4.807 -9.146 -3.395 542 HG11 VAL 573 HG11 VAL 573 6.323 -7.956 -4.919 543 HG12 VAL 573 HG12 VAL 573 4.934 -7.213 -5.711 544 HG13 VAL 573 HG13 VAL 573 5.168 -8.960 -5.797 545 HG21 VAL 573 HG21 VAL 573 5.730 -6.920 -2.814 546 HG22 VAL 573 HG22 VAL 573 4.190 -7.263 -2.028 547 HG23 VAL 573 HG23 VAL 573 4.246 -6.182 -3.420 548 H GLN 574 HN GLN 574 3.094 -10.935 -3.825 549 HA GLN 574 HA GLN 574 3.423 -11.845 -6.471 550 HB2 GLN 574 HB2 GLN 574 2.426 -13.292 -4.014 551 HB3 GLN 574 HB3 GLN 574 2.821 -14.084 -5.533 552 HG2 GLN 574 HG2 GLN 574 5.127 -13.346 -5.343 553 HG3 GLN 574 HG3 GLN 574 4.744 -12.494 -3.848 554 HE21 GLN 574 HE21 GLN 574 6.183 -13.666 -2.628 555 HE22 GLN 574 HE22 GLN 574 5.930 -15.318 -2.218 556 H TYR 575 HN TYR 575 0.568 -11.335 -4.487 557 HA TYR 575 HA TYR 575 -1.249 -12.646 -6.236 558 HB2 TYR 575 HB2 TYR 575 -1.825 -12.254 -3.900 559 HB3 TYR 575 HB3 TYR 575 -1.767 -10.513 -4.156 560 HD1 TYR 575 HD1 TYR 575 -3.628 -9.352 -5.078 561 HD2 TYR 575 HD2 TYR 575 -3.614 -13.604 -4.983 562 HE1 TYR 575 HE1 TYR 575 -6.010 -9.365 -5.681 563 HE2 TYR 575 HE2 TYR 575 -5.998 -13.629 -5.585 564 HH TYR 575 HH TYR 575 -7.941 -12.160 -5.462 565 H TYR 576 HN TYR 576 -0.587 -9.188 -5.692 566 HA TYR 576 HA TYR 576 -2.269 -8.383 -7.828 567 HB2 TYR 576 HB2 TYR 576 -0.216 -6.832 -6.251 568 HB3 TYR 576 HB3 TYR 576 -1.324 -6.109 -7.418 569 HD1 TYR 576 HD1 TYR 576 -3.865 -6.554 -7.016 570 HD2 TYR 576 HD2 TYR 576 -0.883 -7.046 -4.024 571 HE1 TYR 576 HE1 TYR 576 -5.594 -6.412 -5.272 572 HE2 TYR 576 HE2 TYR 576 -2.604 -6.901 -2.278 573 HH TYR 576 HH TYR 576 -4.796 -6.143 -1.910 574 H GLN 577 HN GLN 577 0.931 -9.520 -7.843 575 HA GLN 577 HA GLN 577 1.712 -8.286 -10.305 576 HB2 GLN 577 HB2 GLN 577 2.693 -10.751 -8.884 577 HB3 GLN 577 HB3 GLN 577 3.290 -10.302 -10.474 578 HG2 GLN 577 HG2 GLN 577 3.452 -8.565 -8.021 579 HG3 GLN 577 HG3 GLN 577 4.757 -9.579 -8.632 580 HE21 GLN 577 HE21 GLN 577 6.148 -7.896 -9.011 581 HE22 GLN 577 HE22 GLN 577 5.899 -6.733 -10.268 582 H GLU 578 HN GLU 578 0.115 -11.317 -9.446 583 HA GLU 578 HA GLU 578 -0.191 -12.018 -12.246 584 HB2 GLU 578 HB2 GLU 578 -1.187 -13.388 -9.740 585 HB3 GLU 578 HB3 GLU 578 -1.317 -14.037 -11.369 586 HG2 GLU 578 HG2 GLU 578 1.100 -14.115 -11.554 587 HG3 GLU 578 HG3 GLU 578 1.259 -13.417 -9.944 588 H LYS 579 HN LYS 579 -2.248 -10.993 -9.532 589 HA LYS 579 HA LYS 579 -4.304 -10.256 -11.501 590 HB2 LYS 579 HB2 LYS 579 -4.665 -11.373 -8.711 591 HB3 LYS 579 HB3 LYS 579 -5.966 -10.682 -9.671 592 HG2 LYS 579 HG2 LYS 579 -5.773 -12.425 -11.302 593 HG3 LYS 579 HG3 LYS 579 -4.321 -13.055 -10.521 594 HD2 LYS 579 HD2 LYS 579 -6.302 -14.395 -9.975 595 HD3 LYS 579 HD3 LYS 579 -5.613 -13.635 -8.542 596 HE2 LYS 579 HE2 LYS 579 -8.032 -13.471 -8.499 597 HE3 LYS 579 HE3 LYS 579 -7.316 -11.871 -8.674 598 HZ1 LYS 579 HZ1 LYS 579 -8.438 -13.495 -10.893 599 HZ2 LYS 579 HZ2 LYS 579 -7.807 -11.933 -11.026 600 HZ3 LYS 579 HZ3 LYS 579 -9.221 -12.200 -10.141 601 HA PRO 580 HA PRO 580 -2.972 -6.440 -9.333 602 HB2 PRO 580 HB2 PRO 580 -3.633 -4.758 -11.358 603 HB3 PRO 580 HB1 PRO 580 -2.105 -5.643 -11.309 604 HG2 PRO 580 HG2 PRO 580 -4.606 -6.270 -12.822 605 HG3 PRO 580 HG3 PRO 580 -2.919 -6.367 -13.355 606 HD2 PRO 580 HD2 PRO 580 -4.338 -8.543 -12.575 607 HD3 PRO 580 HD3 PRO 580 -2.583 -8.407 -12.339 608 H ALA 581 HN ALA 581 -4.180 -4.614 -8.568 609 HA ALA 581 HA ALA 581 -7.028 -5.175 -8.373 610 HB1 ALA 581 HB1 ALA 581 -5.760 -4.673 -6.330 611 HB2 ALA 581 HB2 ALA 581 -7.035 -3.488 -6.611 612 HB3 ALA 581 HB3 ALA 581 -5.359 -3.083 -6.978 613 H ILE 582 HN ILE 582 -8.591 -3.964 -9.307 614 HA ILE 582 HA ILE 582 -7.630 -1.891 -11.142 615 HB ILE 582 HB ILE 582 -10.276 -3.338 -11.242 616 HG12 ILE 582 HG12 ILE 582 -7.712 -3.908 -12.752 617 HG13 ILE 582 HG13 ILE 582 -8.390 -4.915 -11.478 618 HG21 ILE 582 HG21 ILE 582 -8.801 -1.664 -13.273 619 HG22 ILE 582 HG22 ILE 582 -10.262 -1.202 -12.401 620 HG23 ILE 582 HG23 ILE 582 -10.312 -2.527 -13.564 621 HD11 ILE 582 HD11 ILE 582 -10.324 -5.390 -12.865 622 HD12 ILE 582 HD12 ILE 582 -8.829 -5.820 -13.696 623 HD13 ILE 582 HD13 ILE 582 -9.686 -4.343 -14.132 624 H ILE 583 HN ILE 583 -7.958 0.121 -10.612 625 HA ILE 583 HA ILE 583 -10.495 0.862 -9.317 626 HB ILE 583 HB ILE 583 -7.751 1.996 -8.761 627 HG12 ILE 583 HG12 ILE 583 -8.437 -0.025 -7.478 628 HG13 ILE 583 HG13 ILE 583 -8.191 1.391 -6.461 629 HG21 ILE 583 HG21 ILE 583 -8.829 3.681 -7.379 630 HG22 ILE 583 HG22 ILE 583 -10.415 3.077 -7.860 631 HG23 ILE 583 HG23 ILE 583 -9.353 3.816 -9.059 632 HD11 ILE 583 HD11 ILE 583 -10.143 0.178 -5.744 633 HD12 ILE 583 HD12 ILE 583 -10.836 0.278 -7.362 634 HD13 ILE 583 HD13 ILE 583 -10.620 1.744 -6.405 635 H ASN 584 HN ASN 584 -11.658 1.932 -10.771 636 HA ASN 584 HA ASN 584 -12.283 3.374 -12.403 637 HB2 ASN 584 HB2 ASN 584 -9.788 4.808 -11.485 638 HB3 ASN 584 HB3 ASN 584 -10.895 5.470 -12.683 639 HD21 ASN 584 HD21 ASN 584 -11.377 7.227 -11.374 640 HD22 ASN 584 HD22 ASN 584 -12.379 7.082 -9.971 641 H GLY 585 HN GLY 585 -10.738 1.080 -13.046 642 HA2 GLY 585 HA2 GLY 585 -10.211 0.181 -15.107 643 HA3 GLY 585 HA3 GLY 585 -10.100 1.802 -15.769 644 H GLU 586 HN GLU 586 -8.232 1.842 -13.042 645 HA GLU 586 HA GLU 586 -5.852 1.310 -14.675 646 HB2 GLU 586 HB2 GLU 586 -6.173 3.052 -12.230 647 HB3 GLU 586 HB3 GLU 586 -4.637 2.734 -13.027 648 HG2 GLU 586 HG2 GLU 586 -5.812 3.628 -15.145 649 HG3 GLU 586 HG3 GLU 586 -6.981 4.304 -14.013 650 H LYS 587 HN LYS 587 -4.602 -0.306 -14.245 651 HA LYS 587 HA LYS 587 -5.105 -2.101 -12.084 652 HB2 LYS 587 HB2 LYS 587 -2.700 -2.144 -13.898 653 HB3 LYS 587 HB3 LYS 587 -3.469 -3.500 -13.088 654 HG2 LYS 587 HG2 LYS 587 -4.659 -1.887 -15.335 655 HG3 LYS 587 HG3 LYS 587 -3.941 -3.489 -15.478 656 HD2 LYS 587 HD2 LYS 587 -5.659 -4.429 -14.063 657 HD3 LYS 587 HD3 LYS 587 -6.329 -2.824 -13.765 658 HE2 LYS 587 HE2 LYS 587 -7.644 -4.040 -15.427 659 HE3 LYS 587 HE3 LYS 587 -6.895 -2.603 -16.122 660 HZ1 LYS 587 HZ1 LYS 587 -5.867 -5.376 -16.397 661 HZ2 LYS 587 HZ2 LYS 587 -5.191 -3.994 -17.097 662 HZ3 LYS 587 HZ3 LYS 587 -6.719 -4.526 -17.584 663 H LEU 588 HN LEU 588 -4.367 -1.909 -10.094 664 HA LEU 588 HA LEU 588 -2.339 0.024 -9.442 665 HB2 LEU 588 HB2 LEU 588 -3.729 -1.926 -7.615 666 HB3 LEU 588 HB1 LEU 588 -2.895 -0.455 -7.152 667 HG LEU 588 HG LEU 588 -5.475 -0.634 -8.705 668 HD11 LEU 588 HD11 LEU 588 -4.839 0.253 -5.904 669 HD12 LEU 588 HD12 LEU 588 -5.834 -1.115 -6.402 670 HD13 LEU 588 HD13 LEU 588 -6.380 0.530 -6.710 671 HD21 LEU 588 HD21 LEU 588 -4.232 1.238 -9.523 672 HD22 LEU 588 HD22 LEU 588 -3.843 1.756 -7.884 673 HD23 LEU 588 HD23 LEU 588 -5.508 1.831 -8.460 674 H LEU 589 HN LEU 589 -0.330 -0.340 -8.649 675 HA LEU 589 HA LEU 589 0.647 -3.120 -8.810 676 HB2 LEU 589 HB2 LEU 589 1.612 -1.718 -10.546 677 HB3 LEU 589 HB1 LEU 589 2.128 -0.543 -9.350 678 HG LEU 589 HG LEU 589 3.631 -2.281 -8.373 679 HD11 LEU 589 HD11 LEU 589 2.495 -4.273 -9.120 680 HD12 LEU 589 HD12 LEU 589 4.138 -4.251 -9.765 681 HD13 LEU 589 HD13 LEU 589 2.775 -3.835 -10.805 682 HD21 LEU 589 HD21 LEU 589 4.451 -0.600 -9.959 683 HD22 LEU 589 HD22 LEU 589 4.079 -1.692 -11.294 684 HD23 LEU 589 HD23 LEU 589 5.311 -2.131 -10.112 685 H ILE 590 HN ILE 590 0.925 -3.925 -6.822 686 HA ILE 590 HA ILE 590 2.046 -2.183 -4.735 687 HB ILE 590 HB ILE 590 0.726 -4.891 -4.442 688 HG12 ILE 590 HG12 ILE 590 -0.284 -2.092 -3.915 689 HG13 ILE 590 HG13 ILE 590 -0.931 -3.255 -5.062 690 HG21 ILE 590 HG21 ILE 590 0.765 -4.407 -2.032 691 HG22 ILE 590 HG22 ILE 590 1.688 -2.940 -2.355 692 HG23 ILE 590 HG23 ILE 590 2.385 -4.519 -2.719 693 HD11 ILE 590 HD11 ILE 590 -2.379 -3.113 -3.157 694 HD12 ILE 590 HD12 ILE 590 -1.036 -3.435 -2.054 695 HD13 ILE 590 HD13 ILE 590 -1.592 -4.694 -3.165 696 H ARG 591 HN ARG 591 4.168 -2.354 -4.355 697 HA ARG 591 HA ARG 591 5.489 -4.945 -4.555 698 HB2 ARG 591 HB2 ARG 591 6.242 -2.545 -6.210 699 HB3 ARG 591 HB3 ARG 591 7.399 -3.809 -5.828 700 HG2 ARG 591 HG2 ARG 591 5.766 -5.438 -6.859 701 HG3 ARG 591 HG3 ARG 591 4.886 -4.029 -7.455 702 HD2 ARG 591 HD2 ARG 591 6.391 -4.846 -9.167 703 HD3 ARG 591 HD3 ARG 591 6.929 -3.267 -8.597 704 HE ARG 591 HE ARG 591 8.183 -5.471 -7.238 705 HH11 ARG 591 HH11 ARG 591 8.319 -3.387 -10.041 706 HH12 ARG 591 HH12 ARG 591 10.023 -3.598 -10.276 707 HH21 ARG 591 HH21 ARG 591 10.423 -5.789 -7.564 708 HH22 ARG 591 HH22 ARG 591 11.220 -4.979 -8.877 709 H MET 592 HN MET 592 7.828 -4.734 -3.792 710 HA MET 592 HA MET 592 7.704 -3.322 -1.259 711 HB2 MET 592 HB2 MET 592 9.732 -5.250 -2.391 712 HB3 MET 592 HB3 MET 592 9.850 -4.524 -0.796 713 HG2 MET 592 HG2 MET 592 7.639 -5.550 -0.255 714 HG3 MET 592 HG3 MET 592 7.728 -6.404 -1.795 715 HE1 MET 592 HE1 MET 592 8.448 -9.263 0.765 716 HE2 MET 592 HE2 MET 592 7.456 -8.736 -0.595 717 HE3 MET 592 HE3 MET 592 7.326 -7.917 0.962 718 H SER 593 HN SER 593 9.129 -1.726 -0.570 719 HA SER 593 HA SER 593 10.131 -0.102 -2.754 720 HB2 SER 593 HB2 SER 593 8.777 0.974 -1.033 721 HB3 SER 593 HB3 SER 593 9.932 0.481 0.205 722 HG SER 593 HG SER 593 10.002 2.610 -1.477 723 H THR 594 HN THR 594 12.138 0.429 -3.146 724 HA THR 594 HA THR 594 14.249 -1.102 -1.853 725 HB THR 594 HB THR 594 15.664 -0.103 -3.729 726 HG1 THR 594 HG1 THR 594 13.766 0.338 -5.476 727 HG21 THR 594 HG21 THR 594 13.296 -1.826 -4.458 728 HG22 THR 594 HG22 THR 594 14.808 -2.398 -3.753 729 HG23 THR 594 HG23 THR 594 14.800 -1.693 -5.370 730 H ARG 595 HN ARG 595 12.901 1.955 -1.471 731 HA ARG 595 HA ARG 595 15.504 3.248 -1.005 732 HB2 ARG 595 HB2 ARG 595 12.765 4.474 -1.327 733 HB3 ARG 595 HB3 ARG 595 14.254 5.374 -1.074 734 HG2 ARG 595 HG2 ARG 595 15.120 4.452 -3.193 735 HG3 ARG 595 HG3 ARG 595 13.561 3.662 -3.445 736 HD2 ARG 595 HD2 ARG 595 12.455 5.843 -3.389 737 HD3 ARG 595 HD3 ARG 595 14.017 6.625 -3.158 738 HE ARG 595 HE ARG 595 14.093 5.037 -5.482 739 HH11 ARG 595 HH11 ARG 595 12.736 8.010 -4.241 740 HH12 ARG 595 HH12 ARG 595 12.598 8.752 -5.804 741 HH21 ARG 595 HH21 ARG 595 13.944 6.021 -7.544 742 HH22 ARG 595 HH22 ARG 595 13.293 7.622 -7.683 743 H TYR 596 HN TYR 596 12.525 2.361 0.596 744 HA TYR 596 HA TYR 596 13.590 3.556 3.065 745 HB2 TYR 596 HB2 TYR 596 10.752 3.315 2.103 746 HB3 TYR 596 HB3 TYR 596 11.130 3.546 3.806 747 HD1 TYR 596 HD1 TYR 596 11.583 5.086 0.447 748 HD2 TYR 596 HD2 TYR 596 11.557 5.659 4.661 749 HE1 TYR 596 HE1 TYR 596 11.714 7.519 0.115 750 HE2 TYR 596 HE2 TYR 596 11.690 8.090 4.339 751 HH TYR 596 HH TYR 596 11.209 9.569 1.292 752 H LYS 597 HN LYS 597 13.553 2.432 4.931 753 HA LYS 597 HA LYS 597 12.841 -0.413 4.734 754 HB2 LYS 597 HB2 LYS 597 14.795 0.943 6.606 755 HB3 LYS 597 HB3 LYS 597 14.403 -0.772 6.622 756 HG2 LYS 597 HG2 LYS 597 16.427 -0.636 5.465 757 HG3 LYS 597 HG3 LYS 597 15.211 -0.798 4.199 758 HD2 LYS 597 HD2 LYS 597 15.239 1.759 4.095 759 HD3 LYS 597 HD3 LYS 597 16.724 1.657 5.041 760 HE2 LYS 597 HE2 LYS 597 17.755 0.298 3.315 761 HE3 LYS 597 HE3 LYS 597 16.255 0.316 2.388 762 HZ1 LYS 597 HZ1 LYS 597 17.817 1.933 1.524 763 HZ2 LYS 597 HZ2 LYS 597 17.934 2.680 3.037 764 HZ3 LYS 597 HZ3 LYS 597 16.478 2.731 2.183 765 H GLU 598 HN GLU 598 11.858 2.517 6.020 766 HA GLU 598 HA GLU 598 10.049 1.143 7.840 767 HB2 GLU 598 HB2 GLU 598 11.867 1.791 9.303 768 HB3 GLU 598 HB3 GLU 598 11.860 3.424 8.655 769 HG2 GLU 598 HG2 GLU 598 9.614 3.766 9.580 770 HG3 GLU 598 HG3 GLU 598 9.669 2.145 10.271 771 H LEU 599 HN LEU 599 8.140 2.209 8.178 772 HA LEU 599 HA LEU 599 7.695 4.653 6.593 773 HB2 LEU 599 HB2 LEU 599 5.715 2.548 7.463 774 HB3 LEU 599 HB1 LEU 599 5.283 4.037 6.641 775 HG LEU 599 HG LEU 599 6.912 1.754 5.535 776 HD11 LEU 599 HD11 LEU 599 5.124 1.702 3.848 777 HD12 LEU 599 HD12 LEU 599 4.260 2.942 4.758 778 HD13 LEU 599 HD13 LEU 599 4.540 1.353 5.475 779 HD21 LEU 599 HD21 LEU 599 7.030 3.071 3.467 780 HD22 LEU 599 HD22 LEU 599 7.920 3.819 4.792 781 HD23 LEU 599 HD23 LEU 599 6.339 4.449 4.322 782 H GLN 600 HN GLN 600 7.426 6.452 7.639 783 HA GLN 600 HA GLN 600 6.552 6.356 10.445 784 HB2 GLN 600 HB2 GLN 600 8.849 7.153 10.200 785 HB3 GLN 600 HB3 GLN 600 8.322 8.371 9.048 786 HG2 GLN 600 HG2 GLN 600 6.982 9.427 10.825 787 HG3 GLN 600 HG3 GLN 600 7.606 8.237 11.968 788 HE21 GLN 600 HE21 GLN 600 8.355 11.018 10.029 789 HE22 GLN 600 HE22 GLN 600 9.874 11.382 10.765 790 H LEU 601 HN LEU 601 4.625 7.194 10.853 791 HA LEU 601 HA LEU 601 3.155 8.525 8.787 792 HB2 LEU 601 HB2 LEU 601 2.484 7.981 11.676 793 HB3 LEU 601 HB1 LEU 601 1.377 8.720 10.540 794 HG LEU 601 HG LEU 601 2.494 5.920 10.369 795 HD11 LEU 601 HD11 LEU 601 0.179 5.246 10.770 796 HD12 LEU 601 HD12 LEU 601 -0.284 6.937 10.952 797 HD13 LEU 601 HD13 LEU 601 0.816 6.195 12.113 798 HD21 LEU 601 HD21 LEU 601 0.577 7.388 8.561 799 HD22 LEU 601 HD22 LEU 601 0.907 5.658 8.493 800 HD23 LEU 601 HD23 LEU 601 2.192 6.814 8.142 801 H LYS 602 HN LYS 602 4.339 10.431 8.389 802 HA LYS 602 HA LYS 602 4.721 12.486 10.302 803 HB2 LYS 602 HB2 LYS 602 4.229 12.702 7.322 804 HB3 LYS 602 HB3 LYS 602 4.855 13.988 8.342 805 HG2 LYS 602 HG2 LYS 602 6.853 12.688 8.791 806 HG3 LYS 602 HG3 LYS 602 6.214 11.346 7.840 807 HD2 LYS 602 HD2 LYS 602 6.163 12.812 5.860 808 HD3 LYS 602 HD3 LYS 602 6.874 14.108 6.821 809 HE2 LYS 602 HE2 LYS 602 8.868 12.762 7.193 810 HE3 LYS 602 HE3 LYS 602 8.149 11.424 6.297 811 HZ1 LYS 602 HZ1 LYS 602 9.657 12.631 4.888 812 HZ2 LYS 602 HZ2 LYS 602 8.860 14.090 5.203 813 HZ3 LYS 602 HZ3 LYS 602 8.076 12.870 4.334 814 H LYS 603 HN LYS 603 2.085 11.518 8.236 815 HA LYS 603 HA LYS 603 0.295 13.316 9.727 816 HB2 LYS 603 HB2 LYS 603 -0.005 12.235 6.909 817 HB3 LYS 603 HB3 LYS 603 -1.237 13.155 7.762 818 HG2 LYS 603 HG2 LYS 603 1.509 14.165 7.037 819 HG3 LYS 603 HG3 LYS 603 0.014 14.537 6.178 820 HD2 LYS 603 HD2 LYS 603 -0.881 15.606 8.186 821 HD3 LYS 603 HD3 LYS 603 0.595 15.207 9.064 822 HE2 LYS 603 HE2 LYS 603 1.885 16.585 7.493 823 HE3 LYS 603 HE3 LYS 603 0.393 17.004 6.651 824 HZ1 LYS 603 HZ1 LYS 603 1.000 17.638 9.490 825 HZ2 LYS 603 HZ2 LYS 603 -0.414 18.062 8.667 826 HZ3 LYS 603 HZ3 LYS 603 1.067 18.735 8.204 827 HA PRO 604 HA PRO 604 -1.023 9.488 11.498 828 HB2 PRO 604 HB2 PRO 604 -3.279 10.418 12.715 829 HB3 PRO 604 HB1 PRO 604 -1.648 10.689 13.341 830 HG2 PRO 604 HG2 PRO 604 -3.373 12.512 11.706 831 HG3 PRO 604 HG3 PRO 604 -2.392 12.890 13.134 832 HD2 PRO 604 HD2 PRO 604 -1.541 13.457 10.656 833 HD3 PRO 604 HD3 PRO 604 -0.417 12.920 11.919 834 H GLY 605 HN GLY 605 -3.233 8.323 11.815 835 HA2 GLY 605 HA2 GLY 605 -4.937 8.571 9.469 836 HA3 GLY 605 HA3 GLY 605 -4.037 7.070 9.660 837 H LYS 606 HN LYS 606 -6.868 7.361 9.651 838 HA LYS 606 HA LYS 606 -7.880 7.281 12.324 839 HB2 LYS 606 HB2 LYS 606 -9.998 6.632 11.248 840 HB3 LYS 606 HB3 LYS 606 -9.273 8.036 10.476 841 HG2 LYS 606 HG2 LYS 606 -8.359 6.534 8.724 842 HG3 LYS 606 HG3 LYS 606 -9.246 5.201 9.466 843 HD2 LYS 606 HD2 LYS 606 -11.345 6.471 9.122 844 HD3 LYS 606 HD3 LYS 606 -10.417 7.715 8.285 845 HE2 LYS 606 HE2 LYS 606 -9.705 6.068 6.624 846 HE3 LYS 606 HE3 LYS 606 -10.635 4.823 7.460 847 HZ1 LYS 606 HZ1 LYS 606 -12.645 6.106 7.018 848 HZ2 LYS 606 HZ2 LYS 606 -11.857 5.686 5.581 849 HZ3 LYS 606 HZ3 LYS 606 -11.740 7.264 6.181 850 H ASN 607 HN ASN 607 -9.328 5.313 12.944 851 HA ASN 607 HA ASN 607 -7.795 3.063 13.404 852 HB2 ASN 607 HB2 ASN 607 -9.769 3.585 14.714 853 HB3 ASN 607 HB3 ASN 607 -10.804 3.366 13.310 854 HD21 ASN 607 HD21 ASN 607 -12.029 1.809 14.329 855 HD22 ASN 607 HD22 ASN 607 -11.435 0.212 14.642 856 H VAL 608 HN VAL 608 -7.161 1.440 12.195 857 HA VAL 608 HA VAL 608 -8.142 1.198 9.484 858 HB VAL 608 HB VAL 608 -5.954 -0.351 10.887 859 HG11 VAL 608 HG11 VAL 608 -5.155 -0.787 8.586 860 HG12 VAL 608 HG12 VAL 608 -6.651 -0.077 7.981 861 HG13 VAL 608 HG13 VAL 608 -6.705 -1.542 8.955 862 HG21 VAL 608 HG21 VAL 608 -5.775 2.097 9.132 863 HG22 VAL 608 HG22 VAL 608 -4.406 1.169 9.750 864 HG23 VAL 608 HG23 VAL 608 -5.464 2.030 10.868 865 H ALA 609 HN ALA 609 -8.611 -0.365 12.522 866 HA ALA 609 HA ALA 609 -9.421 -2.922 11.627 867 HB1 ALA 609 HB1 ALA 609 -10.338 -1.420 14.077 868 HB2 ALA 609 HB2 ALA 609 -8.908 -2.445 13.971 869 HB3 ALA 609 HB3 ALA 609 -10.514 -3.153 13.795 870 H ALA 610 HN ALA 610 -11.104 0.133 11.937 871 HA ALA 610 HA ALA 610 -13.721 -0.802 11.447 872 HB1 ALA 610 HB1 ALA 610 -14.243 1.527 10.895 873 HB2 ALA 610 HB2 ALA 610 -12.521 1.902 10.851 874 HB3 ALA 610 HB3 ALA 610 -13.279 1.417 12.367 875 H ILE 611 HN ILE 611 -11.001 -0.134 9.410 876 HA ILE 611 HA ILE 611 -12.426 -0.053 6.945 877 HB ILE 611 HB ILE 611 -9.489 -0.612 7.461 878 HG12 ILE 611 HG12 ILE 611 -10.912 1.927 6.626 879 HG13 ILE 611 HG13 ILE 611 -10.304 1.599 8.246 880 HG21 ILE 611 HG21 ILE 611 -9.147 -0.087 5.118 881 HG22 ILE 611 HG22 ILE 611 -10.876 0.181 4.899 882 HG23 ILE 611 HG23 ILE 611 -10.276 -1.435 5.265 883 HD11 ILE 611 HD11 ILE 611 -8.682 1.895 5.732 884 HD12 ILE 611 HD12 ILE 611 -8.022 1.435 7.300 885 HD13 ILE 611 HD13 ILE 611 -8.767 3.022 7.086 886 H ILE 612 HN ILE 612 -10.983 -2.591 8.926 887 HA ILE 612 HA ILE 612 -11.238 -4.749 7.169 888 HB ILE 612 HB ILE 612 -11.785 -4.825 10.147 889 HG12 ILE 612 HG12 ILE 612 -9.159 -5.265 8.711 890 HG13 ILE 612 HG13 ILE 612 -9.580 -3.799 9.591 891 HG21 ILE 612 HG21 ILE 612 -11.080 -7.172 9.972 892 HG22 ILE 612 HG22 ILE 612 -10.920 -6.982 8.225 893 HG23 ILE 612 HG23 ILE 612 -12.503 -6.832 8.986 894 HD11 ILE 612 HD11 ILE 612 -8.157 -5.223 10.928 895 HD12 ILE 612 HD12 ILE 612 -9.297 -6.558 10.757 896 HD13 ILE 612 HD13 ILE 612 -9.761 -5.114 11.653 897 H GLN 613 HN GLN 613 -13.575 -3.296 9.411 898 HA GLN 613 HA GLN 613 -15.729 -5.025 8.735 899 HB2 GLN 613 HB2 GLN 613 -15.807 -2.193 9.801 900 HB3 GLN 613 HB3 GLN 613 -17.170 -3.302 9.763 901 HG2 GLN 613 HG2 GLN 613 -14.650 -3.563 11.380 902 HG3 GLN 613 HG3 GLN 613 -16.285 -3.266 11.973 903 HE21 GLN 613 HE21 GLN 613 -14.052 -5.616 10.795 904 HE22 GLN 613 HE22 GLN 613 -15.005 -7.007 11.126 905 H ASP 614 HN ASP 614 -14.394 -2.173 7.356 906 HA ASP 614 HA ASP 614 -16.544 -1.413 5.681 907 HB2 ASP 614 HB2 ASP 614 -14.669 0.093 6.256 908 HB3 ASP 614 HB3 ASP 614 -13.585 -0.910 5.297 909 H ILE 615 HN ILE 615 -13.742 -3.513 5.191 910 HA ILE 615 HA ILE 615 -14.198 -4.126 2.478 911 HB ILE 615 HB ILE 615 -12.897 -5.794 4.639 912 HG12 ILE 615 HG12 ILE 615 -11.633 -4.036 2.532 913 HG13 ILE 615 HG13 ILE 615 -11.938 -3.518 4.187 914 HG21 ILE 615 HG21 ILE 615 -13.545 -7.175 2.733 915 HG22 ILE 615 HG22 ILE 615 -11.794 -6.983 2.797 916 HG23 ILE 615 HG23 ILE 615 -12.739 -6.055 1.633 917 HD11 ILE 615 HD11 ILE 615 -10.479 -5.317 4.986 918 HD12 ILE 615 HD12 ILE 615 -9.651 -4.176 3.928 919 HD13 ILE 615 HD13 ILE 615 -10.140 -5.755 3.313 920 H HIS 616 HN HIS 616 -15.278 -5.658 5.477 921 HA HIS 616 HA HIS 616 -16.654 -7.799 4.242 922 HB2 HIS 616 HB2 HIS 616 -16.804 -6.566 6.977 923 HB3 HIS 616 HB3 HIS 616 -17.919 -7.842 6.498 924 HD1 HIS 616 HD1 HIS 616 -17.139 -10.132 7.001 925 HD2 HIS 616 HD2 HIS 616 -13.966 -7.478 6.597 926 HE1 HIS 616 HE1 HIS 616 -15.076 -11.460 7.536 927 HE2 HIS 616 HE2 HIS 616 -13.161 -9.879 7.112 928 H SER 617 HN SER 617 -17.538 -4.494 4.894 929 HA SER 617 HA SER 617 -20.319 -4.810 4.376 930 HB2 SER 617 HB2 SER 617 -19.474 -2.891 5.658 931 HB3 SER 617 HB3 SER 617 -18.571 -2.337 4.249 932 HG SER 617 HG SER 617 -21.008 -1.687 4.890 933 H GLN 618 HN GLN 618 -17.464 -4.222 2.467 934 HA GLN 618 HA GLN 618 -18.950 -3.802 0.017 935 HB2 GLN 618 HB2 GLN 618 -16.008 -4.090 0.615 936 HB3 GLN 618 HB3 GLN 618 -16.644 -3.919 -1.014 937 HG2 GLN 618 HG2 GLN 618 -17.536 -1.747 -0.484 938 HG3 GLN 618 HG3 GLN 618 -17.037 -1.923 1.200 939 HE21 GLN 618 HE21 GLN 618 -14.901 -1.686 1.743 940 HE22 GLN 618 HE22 GLN 618 -13.720 -1.043 0.654 941 H ARG 619 HN ARG 619 -20.057 -5.598 -0.517 942 HA ARG 619 HA ARG 619 -18.748 -8.194 -0.266 943 HB2 ARG 619 HB2 ARG 619 -21.625 -7.463 -0.837 944 HB3 ARG 619 HB3 ARG 619 -21.018 -9.102 -0.645 945 HG2 ARG 619 HG2 ARG 619 -20.419 -8.661 1.649 946 HG3 ARG 619 HG3 ARG 619 -20.878 -6.967 1.474 947 HD2 ARG 619 HD2 ARG 619 -22.624 -8.203 2.616 948 HD3 ARG 619 HD3 ARG 619 -23.192 -7.650 1.043 949 HE ARG 619 HE ARG 619 -22.145 -10.288 0.892 950 HH11 ARG 619 HH11 ARG 619 -24.939 -8.461 1.933 951 HH12 ARG 619 HH12 ARG 619 -26.044 -9.779 1.711 952 HH21 ARG 619 HH21 ARG 619 -23.604 -12.033 0.609 953 HH22 ARG 619 HH22 ARG 619 -25.287 -11.805 0.966 954 H GLU 620 HN GLU 620 -17.336 -8.056 -2.025 955 HA GLU 620 HA GLU 620 -18.311 -7.537 -4.681 956 HB2 GLU 620 HB2 GLU 620 -15.658 -8.592 -3.703 957 HB3 GLU 620 HB3 GLU 620 -16.017 -8.226 -5.382 958 HG2 GLU 620 HG2 GLU 620 -16.456 -5.870 -4.694 959 HG3 GLU 620 HG3 GLU 620 -15.869 -6.297 -3.083 960 H ARG 621 HN ARG 621 -19.905 -9.496 -3.835 961 HA ARG 621 HA ARG 621 -18.966 -11.801 -5.389 962 HB2 ARG 621 HB2 ARG 621 -20.489 -12.019 -2.786 963 HB3 ARG 621 HB3 ARG 621 -19.943 -13.354 -3.789 964 HG2 ARG 621 HG2 ARG 621 -17.620 -12.727 -3.368 965 HG3 ARG 621 HG3 ARG 621 -18.167 -11.389 -2.357 966 HD2 ARG 621 HD2 ARG 621 -19.316 -13.073 -0.905 967 HD3 ARG 621 HD3 ARG 621 -18.533 -14.336 -1.856 968 HE ARG 621 HE ARG 621 -16.532 -12.612 -1.008 969 HH11 ARG 621 HH11 ARG 621 -18.853 -14.795 0.429 970 HH12 ARG 621 HH12 ARG 621 -17.895 -15.092 1.844 971 HH21 ARG 621 HH21 ARG 621 -15.259 -13.000 0.846 972 HH22 ARG 621 HH22 ARG 621 -15.842 -14.075 2.078 Start of MODEL 20 1 HO5' ADN 1 H5T ADE 1 10.426 -1.462 -13.474 2 H5'1 ADN 1 H5' ADE 1 10.846 0.372 -14.932 3 H5'2 ADN 1 H5'' ADE 1 11.865 0.982 -13.619 4 H4' ADN 1 H4' ADE 1 9.118 1.299 -13.943 5 H3' ADN 1 H3' ADE 1 10.967 2.626 -12.483 6 H2' ADN 1 H2' ADE 1 11.130 1.043 -10.673 7 HO2' ADN 1 HO2' ADE 1 9.493 1.765 -9.056 8 H1' ADN 1 H1' ADE 1 8.087 0.652 -10.837 9 H8 ADN 1 H8 ADE 1 10.085 -2.340 -11.480 10 HN61 ADN 1 H61 ADE 1 10.172 -4.324 -7.044 11 HN62 ADN 1 H62 ADE 1 9.734 -3.729 -5.456 12 H2 ADN 1 H2 ADE 1 8.317 0.489 -5.999 13 H5' U 2 H5' URI 2 10.927 5.297 -10.075 14 H5'' U 2 H5'' URI 2 9.792 3.975 -10.409 15 H4' U 2 H4' URI 2 9.130 6.876 -9.940 16 H3' U 2 H3' URI 2 9.549 5.188 -7.911 17 H2' U 2 H2' URI 2 8.045 3.441 -8.722 18 HO2' U 2 HO2' URI 2 6.674 5.244 -7.001 19 H1' U 2 H1' URI 2 6.040 5.707 -9.295 20 H3 U 2 H3 URI 2 2.867 3.030 -10.864 21 H5 U 2 H5 URI 2 6.371 1.103 -12.137 22 H6 U 2 H6 URI 2 7.631 2.820 -11.014 23 H5' C 3 H5' CYT 3 6.592 7.166 -4.118 24 H5'' C 3 H5'' CYT 3 7.888 8.361 -4.290 25 H4' C 3 H4' CYT 3 7.554 7.204 -2.038 26 H3' C 3 H3' CYT 3 9.763 8.428 -2.981 27 H2' C 3 H2' CYT 3 10.862 6.523 -3.926 28 HO2' C 3 HO2' CYT 3 11.940 7.338 -1.831 29 H1' C 3 H1' CYT 3 9.910 4.782 -1.594 30 H41 C 3 H41 CYT 3 11.131 0.979 -6.883 31 H42 C 3 H42 CYT 3 12.049 0.318 -5.552 32 H5 C 3 H5 CYT 3 9.798 2.998 -6.686 33 H6 C 3 H6 CYT 3 9.098 4.784 -5.179 34 H5' U 4 H5' URI 4 7.196 11.168 -2.104 35 H5'' U 4 H5'' URI 4 8.177 11.608 -0.694 36 H4' U 4 H4' URI 4 5.338 11.216 -0.920 37 H3' U 4 H3' URI 4 6.781 13.061 0.379 38 H2' U 4 H2' URI 4 7.748 11.488 1.995 39 HO2' U 4 HO2' URI 4 5.273 12.378 3.124 40 H1' U 4 H1' URI 4 4.884 10.365 2.213 41 H3 U 4 H3 URI 4 6.765 8.367 5.914 42 H5 U 4 H5 URI 4 8.396 6.448 2.554 43 H6 U 4 H6 URI 4 7.415 8.174 1.192 44 H5' U 5 H5' URI 5 3.422 13.005 -0.700 45 H5'' U 5 H5'' URI 5 2.720 14.437 -1.478 46 H4' U 5 H4' URI 5 0.881 13.135 -1.139 47 H3' U 5 H3' URI 5 0.851 15.419 0.353 48 H2' U 5 H2' URI 5 1.429 14.406 2.457 49 HO2' U 5 HO2' URI 5 -1.367 13.888 2.162 50 H1' U 5 H1' URI 5 -0.286 11.993 1.622 51 H3 U 5 H3 URI 5 0.389 10.218 5.680 52 H5 U 5 H5 URI 5 4.260 11.234 4.406 53 H6 U 5 H6 URI 5 3.271 12.250 2.462 54 H5' A 6 H5' ADE 6 -1.207 17.606 -2.626 55 H5'' A 6 H5'' ADE 6 0.553 17.649 -2.396 56 H4' A 6 H4' ADE 6 -1.542 19.182 -0.867 57 H3' A 6 H3' ADE 6 -0.574 20.042 -3.204 58 HO3' A 6 H3T ADE 6 -1.692 21.108 -1.128 59 H2' A 6 H2' ADE 6 1.779 19.819 -2.634 60 HO2' A 6 HO2' ADE 6 1.285 22.052 -3.201 61 H1' A 6 H1' ADE 6 1.109 21.101 0.080 62 H8 A 6 H8 ADE 6 3.970 21.151 -1.371 63 H61 A 6 H61 ADE 6 7.040 18.398 1.197 64 H62 A 6 H62 ADE 6 6.812 17.125 2.377 65 H2 A 6 H2 ADE 6 2.382 16.585 2.849 66 H1 GLY 510 HT1 GLY 510 12.427 -13.793 4.468 67 H2 GLY 510 HT2 GLY 510 10.914 -13.047 4.369 68 H3 GLY 510 HT3 GLY 510 12.006 -12.585 5.573 69 HA2 GLY 510 HA3 GLY 510 12.383 -12.201 2.660 70 HA3 GLY 510 HA2 GLY 510 11.926 -10.947 3.804 71 H ALA 511 HN ALA 511 14.469 -13.252 2.984 72 HA ALA 511 HA ALA 511 16.405 -11.470 4.300 73 HB1 ALA 511 HB1 ALA 511 16.726 -14.369 3.533 74 HB2 ALA 511 HB2 ALA 511 16.415 -13.758 5.158 75 HB3 ALA 511 HB3 ALA 511 17.932 -13.372 4.346 76 H MET 512 HN MET 512 16.000 -13.535 1.417 77 HA MET 512 HA MET 512 17.910 -11.827 0.003 78 HB2 MET 512 HB2 MET 512 17.941 -13.493 -1.740 79 HB3 MET 512 HB3 MET 512 18.176 -14.285 -0.191 80 HG2 MET 512 HG2 MET 512 15.863 -15.020 -0.195 81 HG3 MET 512 HG3 MET 512 15.588 -14.182 -1.722 82 HE1 MET 512 HE1 MET 512 14.659 -16.371 -2.889 83 HE2 MET 512 HE2 MET 512 14.831 -17.194 -1.339 84 HE3 MET 512 HE3 MET 512 15.474 -17.932 -2.805 85 H ALA 513 HN ALA 513 14.561 -12.478 0.318 86 HA ALA 513 HA ALA 513 13.828 -10.965 -2.050 87 HB1 ALA 513 HB1 ALA 513 12.447 -12.876 -1.349 88 HB2 ALA 513 HB2 ALA 513 11.527 -11.373 -1.347 89 HB3 ALA 513 HB3 ALA 513 12.099 -12.060 0.174 90 H GLN 514 HN GLN 514 15.247 -9.225 -1.096 91 HA GLN 514 HA GLN 514 15.495 -7.144 -0.246 92 HB2 GLN 514 HB2 GLN 514 12.555 -7.309 0.435 93 HB3 GLN 514 HB3 GLN 514 13.540 -5.855 0.484 94 HG2 GLN 514 HG2 GLN 514 12.866 -7.464 -1.968 95 HG3 GLN 514 HG3 GLN 514 12.154 -5.922 -1.506 96 HE21 GLN 514 HE21 GLN 514 14.731 -4.847 -0.585 97 HE22 GLN 514 HE22 GLN 514 15.621 -4.482 -2.013 98 H ARG 515 HN ARG 515 15.847 -6.088 1.774 99 HA ARG 515 HA ARG 515 16.097 -7.965 3.963 100 HB2 ARG 515 HB2 ARG 515 16.949 -5.083 3.645 101 HB3 ARG 515 HB3 ARG 515 17.257 -6.040 5.087 102 HG2 ARG 515 HG2 ARG 515 18.666 -7.538 3.877 103 HG3 ARG 515 HG3 ARG 515 18.220 -6.795 2.341 104 HD2 ARG 515 HD2 ARG 515 19.303 -4.734 2.973 105 HD3 ARG 515 HD3 ARG 515 19.643 -5.369 4.581 106 HE ARG 515 HE ARG 515 20.885 -7.154 3.032 107 HH11 ARG 515 HH11 ARG 515 20.936 -3.653 3.040 108 HH12 ARG 515 HH12 ARG 515 22.540 -3.550 2.390 109 HH21 ARG 515 HH21 ARG 515 23.005 -7.020 2.199 110 HH22 ARG 515 HH22 ARG 515 23.720 -5.464 1.919 111 H LYS 516 HN LYS 516 13.602 -8.000 3.898 112 HA LYS 516 HA LYS 516 12.340 -5.723 5.180 113 HB2 LYS 516 HB2 LYS 516 11.171 -8.364 4.295 114 HB3 LYS 516 HB3 LYS 516 10.248 -6.997 4.896 115 HG2 LYS 516 HG2 LYS 516 11.819 -7.183 2.344 116 HG3 LYS 516 HG3 LYS 516 10.077 -6.978 2.535 117 HD2 LYS 516 HD2 LYS 516 10.486 -4.766 3.566 118 HD3 LYS 516 HD3 LYS 516 12.214 -4.975 3.274 119 HE2 LYS 516 HE2 LYS 516 11.612 -5.281 0.829 120 HE3 LYS 516 HE3 LYS 516 10.005 -4.704 1.259 121 HZ1 LYS 516 HZ1 LYS 516 11.489 -2.943 0.413 122 HZ2 LYS 516 HZ2 LYS 516 12.509 -3.189 1.735 123 HZ3 LYS 516 HZ3 LYS 516 10.934 -2.634 1.980 124 H GLY 517 HN GLY 517 14.003 -6.314 6.970 125 HA2 GLY 517 HA2 GLY 517 12.493 -7.843 8.993 126 HA3 GLY 517 HA3 GLY 517 14.246 -7.951 8.871 127 H ALA 518 HN ALA 518 12.220 -6.888 10.917 128 HA ALA 518 HA ALA 518 12.073 -5.252 12.475 129 HB1 ALA 518 HB1 ALA 518 14.090 -4.074 13.113 130 HB2 ALA 518 HB2 ALA 518 14.861 -4.517 11.591 131 HB3 ALA 518 HB3 ALA 518 14.465 -5.764 12.775 132 H GLY 519 HN GLY 519 10.837 -4.694 10.124 133 HA2 GLY 519 HA2 GLY 519 9.868 -2.325 9.957 134 HA3 GLY 519 HA3 GLY 519 11.513 -1.899 9.496 135 H ARG 520 HN ARG 520 8.636 -2.242 8.152 136 HA ARG 520 HA ARG 520 9.821 -3.269 5.665 137 HB2 ARG 520 HB2 ARG 520 7.064 -3.955 6.699 138 HB3 ARG 520 HB3 ARG 520 7.712 -4.421 5.133 139 HG2 ARG 520 HG2 ARG 520 9.271 -5.893 6.103 140 HG3 ARG 520 HG3 ARG 520 9.010 -5.227 7.715 141 HD2 ARG 520 HD2 ARG 520 7.008 -6.781 6.081 142 HD3 ARG 520 HD3 ARG 520 7.896 -7.377 7.486 143 HE ARG 520 HE ARG 520 5.680 -5.472 7.488 144 HH11 ARG 520 HH11 ARG 520 8.087 -7.268 9.287 145 HH12 ARG 520 HH12 ARG 520 7.367 -6.939 10.827 146 HH21 ARG 520 HH21 ARG 520 4.730 -5.035 9.510 147 HH22 ARG 520 HH22 ARG 520 5.455 -5.664 10.957 148 H VAL 521 HN VAL 521 9.465 -2.059 3.979 149 HA VAL 521 HA VAL 521 7.212 -0.166 4.017 150 HB VAL 521 HB VAL 521 9.848 0.179 2.594 151 HG11 VAL 521 HG11 VAL 521 7.351 1.835 2.518 152 HG12 VAL 521 HG12 VAL 521 8.138 1.025 1.168 153 HG13 VAL 521 HG13 VAL 521 8.924 2.395 1.955 154 HG21 VAL 521 HG21 VAL 521 10.078 2.132 4.041 155 HG22 VAL 521 HG22 VAL 521 9.948 0.643 4.976 156 HG23 VAL 521 HG23 VAL 521 8.559 1.720 4.830 157 H VAL 522 HN VAL 522 5.650 -0.594 2.653 158 HA VAL 522 HA VAL 522 6.262 -2.106 0.199 159 HB VAL 522 HB VAL 522 3.669 -2.255 1.746 160 HG11 VAL 522 HG11 VAL 522 3.391 -2.703 -0.607 161 HG12 VAL 522 HG12 VAL 522 3.248 -4.213 0.299 162 HG13 VAL 522 HG13 VAL 522 4.734 -3.848 -0.580 163 HG21 VAL 522 HG21 VAL 522 4.362 -4.500 2.439 164 HG22 VAL 522 HG22 VAL 522 5.450 -3.261 3.067 165 HG23 VAL 522 HG23 VAL 522 5.937 -4.242 1.686 166 H HIS 523 HN HIS 523 5.785 -0.931 -1.622 167 HA HIS 523 HA HIS 523 4.189 1.505 -1.232 168 HB2 HIS 523 HB2 HIS 523 6.546 1.759 -1.966 169 HB3 HIS 523 HB3 HIS 523 6.195 0.787 -3.387 170 HD1 HIS 523 HD1 HIS 523 4.829 1.909 -5.280 171 HD2 HIS 523 HD2 HIS 523 5.701 4.407 -2.079 172 HE1 HIS 523 HE1 HIS 523 4.375 4.233 -6.099 173 HE2 HIS 523 HE2 HIS 523 5.140 5.731 -4.227 174 H ILE 524 HN ILE 524 2.391 1.840 -2.377 175 HA ILE 524 HA ILE 524 1.626 -0.162 -4.395 176 HB ILE 524 HB ILE 524 -0.172 1.611 -2.724 177 HG12 ILE 524 HG12 ILE 524 0.504 -1.330 -2.521 178 HG13 ILE 524 HG13 ILE 524 0.864 -0.079 -1.341 179 HG21 ILE 524 HG21 ILE 524 -1.991 0.185 -3.619 180 HG22 ILE 524 HG22 ILE 524 -0.823 -0.573 -4.701 181 HG23 ILE 524 HG23 ILE 524 -1.186 1.143 -4.861 182 HD11 ILE 524 HD11 ILE 524 -1.000 -1.495 -0.663 183 HD12 ILE 524 HD12 ILE 524 -1.893 -1.002 -2.104 184 HD13 ILE 524 HD13 ILE 524 -1.488 0.188 -0.867 185 H CYS 525 HN CYS 525 0.941 0.588 -6.403 186 HA CYS 525 HA CYS 525 1.300 3.474 -6.845 187 HB2 CYS 525 HB2 CYS 525 2.322 1.700 -8.966 188 HB3 CYS 525 HB3 CYS 525 3.007 3.182 -8.309 189 HG CYS 525 HG CYS 525 3.218 0.110 -6.812 190 H ASN 526 HN ASN 526 0.385 4.290 -8.747 191 HA ASN 526 HA ASN 526 -0.814 4.351 -10.698 192 HB2 ASN 526 HB2 ASN 526 -1.480 1.457 -10.156 193 HB3 ASN 526 HB3 ASN 526 -2.072 2.357 -11.547 194 HD21 ASN 526 HD21 ASN 526 -0.478 -0.004 -11.566 195 HD22 ASN 526 HD22 ASN 526 1.008 0.392 -12.361 196 H LEU 527 HN LEU 527 -1.588 5.037 -8.044 197 HA LEU 527 HA LEU 527 -4.473 4.597 -8.018 198 HB2 LEU 527 HB2 LEU 527 -2.579 5.907 -6.075 199 HB3 LEU 527 HB1 LEU 527 -4.318 5.957 -5.882 200 HG LEU 527 HG LEU 527 -2.744 3.387 -6.015 201 HD11 LEU 527 HD11 LEU 527 -3.704 4.929 -3.608 202 HD12 LEU 527 HD12 LEU 527 -2.025 4.676 -4.080 203 HD13 LEU 527 HD13 LEU 527 -3.015 3.305 -3.578 204 HD21 LEU 527 HD21 LEU 527 -5.546 4.037 -5.111 205 HD22 LEU 527 HD22 LEU 527 -4.782 2.450 -5.031 206 HD23 LEU 527 HD23 LEU 527 -5.101 3.196 -6.596 207 HA PRO 528 HA PRO 528 -4.822 8.474 -10.195 208 HB2 PRO 528 HB2 PRO 528 -7.687 8.333 -9.890 209 HB3 PRO 528 HB1 PRO 528 -6.725 8.063 -11.342 210 HG2 PRO 528 HG2 PRO 528 -8.128 6.101 -10.000 211 HG3 PRO 528 HG3 PRO 528 -6.761 5.804 -11.084 212 HD2 PRO 528 HD2 PRO 528 -6.860 5.822 -8.113 213 HD3 PRO 528 HD3 PRO 528 -5.863 4.849 -9.213 214 H GLU 529 HN GLU 529 -4.756 10.505 -9.410 215 HA GLU 529 HA GLU 529 -5.376 11.095 -6.709 216 HB2 GLU 529 HB2 GLU 529 -3.646 12.317 -7.883 217 HB3 GLU 529 HB3 GLU 529 -4.815 12.908 -9.055 218 HG2 GLU 529 HG2 GLU 529 -5.963 14.117 -7.228 219 HG3 GLU 529 HG3 GLU 529 -4.683 13.601 -6.134 220 H GLY 530 HN GLY 530 -7.189 12.013 -5.795 221 HA2 GLY 530 HA2 GLY 530 -9.385 12.832 -5.778 222 HA3 GLY 530 HA3 GLY 530 -9.425 12.699 -7.535 223 H SER 531 HN SER 531 -8.065 9.976 -6.322 224 HA SER 531 HA SER 531 -10.511 8.502 -5.844 225 HB2 SER 531 HB2 SER 531 -8.684 7.900 -8.181 226 HB3 SER 531 HB3 SER 531 -10.023 6.877 -7.649 227 HG SER 531 HG SER 531 -10.987 9.314 -7.932 228 H CYS 532 HN CYS 532 -7.570 9.235 -4.899 229 HA CYS 532 HA CYS 532 -6.635 6.557 -4.208 230 HB2 CYS 532 HB2 CYS 532 -5.502 9.250 -3.397 231 HB3 CYS 532 HB3 CYS 532 -4.721 7.689 -3.184 232 HG CYS 532 HG CYS 532 -5.494 8.383 -6.362 233 H THR 533 HN THR 533 -8.324 5.869 -2.821 234 HA THR 533 HA THR 533 -8.928 7.633 -0.564 235 HB THR 533 HB THR 533 -10.831 6.226 -0.137 236 HG1 THR 533 HG1 THR 533 -10.896 4.412 -1.999 237 HG21 THR 533 HG21 THR 533 -10.559 6.547 -3.131 238 HG22 THR 533 HG22 THR 533 -11.062 7.816 -2.016 239 HG23 THR 533 HG23 THR 533 -12.066 6.385 -2.230 240 H GLU 534 HN GLU 534 -8.721 6.896 1.565 241 HA GLU 534 HA GLU 534 -6.516 5.191 2.070 242 HB2 GLU 534 HB2 GLU 534 -8.607 6.148 4.030 243 HB3 GLU 534 HB3 GLU 534 -6.983 5.589 4.403 244 HG2 GLU 534 HG2 GLU 534 -6.011 7.521 3.234 245 HG3 GLU 534 HG3 GLU 534 -7.639 8.047 2.783 246 H ASN 535 HN ASN 535 -9.936 4.847 1.915 247 HA ASN 535 HA ASN 535 -10.185 2.372 3.248 248 HB2 ASN 535 HB2 ASN 535 -11.913 3.937 1.382 249 HB3 ASN 535 HB3 ASN 535 -12.328 2.258 1.712 250 HD21 ASN 535 HD21 ASN 535 -13.154 1.703 3.674 251 HD22 ASN 535 HD22 ASN 535 -13.582 2.862 4.886 252 H ASP 536 HN ASP 536 -9.767 3.106 -0.266 253 HA ASP 536 HA ASP 536 -10.254 0.381 -1.006 254 HB2 ASP 536 HB2 ASP 536 -9.198 2.777 -2.482 255 HB3 ASP 536 HB3 ASP 536 -9.117 1.179 -3.212 256 H VAL 537 HN VAL 537 -7.419 2.342 -0.610 257 HA VAL 537 HA VAL 537 -5.489 0.495 -1.508 258 HB VAL 537 HB VAL 537 -5.102 2.678 0.556 259 HG11 VAL 537 HG11 VAL 537 -2.792 2.711 -0.163 260 HG12 VAL 537 HG12 VAL 537 -3.114 1.437 -1.339 261 HG13 VAL 537 HG13 VAL 537 -3.217 1.087 0.388 262 HG21 VAL 537 HG21 VAL 537 -4.402 4.028 -1.422 263 HG22 VAL 537 HG22 VAL 537 -6.117 3.624 -1.387 264 HG23 VAL 537 HG23 VAL 537 -5.024 2.741 -2.454 265 H ILE 538 HN ILE 538 -6.622 1.225 1.774 266 HA ILE 538 HA ILE 538 -5.160 -0.868 3.001 267 HB ILE 538 HB ILE 538 -7.570 0.653 3.982 268 HG12 ILE 538 HG12 ILE 538 -4.626 0.861 4.641 269 HG13 ILE 538 HG13 ILE 538 -5.550 2.008 3.676 270 HG21 ILE 538 HG21 ILE 538 -6.895 -0.242 6.209 271 HG22 ILE 538 HG22 ILE 538 -5.791 -1.340 5.374 272 HG23 ILE 538 HG23 ILE 538 -7.528 -1.462 5.104 273 HD11 ILE 538 HD11 ILE 538 -6.129 1.364 6.555 274 HD12 ILE 538 HD12 ILE 538 -6.868 2.631 5.569 275 HD13 ILE 538 HD13 ILE 538 -5.161 2.733 6.004 276 H ASN 539 HN ASN 539 -8.413 -0.691 1.589 277 HA ASN 539 HA ASN 539 -9.439 -3.090 2.545 278 HB2 ASN 539 HB2 ASN 539 -9.883 -1.783 -0.144 279 HB3 ASN 539 HB3 ASN 539 -10.717 -3.243 0.357 280 HD21 ASN 539 HD21 ASN 539 -10.998 -2.259 3.146 281 HD22 ASN 539 HD22 ASN 539 -12.254 -1.086 3.074 282 H LEU 540 HN LEU 540 -7.086 -2.499 0.027 283 HA LEU 540 HA LEU 540 -7.035 -5.229 -0.853 284 HB2 LEU 540 HB2 LEU 540 -5.001 -3.017 -1.142 285 HB3 LEU 540 HB1 LEU 540 -4.932 -4.561 -1.969 286 HG LEU 540 HG LEU 540 -7.001 -2.401 -2.353 287 HD11 LEU 540 HD11 LEU 540 -4.816 -3.488 -4.114 288 HD12 LEU 540 HD12 LEU 540 -4.914 -1.874 -3.408 289 HD13 LEU 540 HD13 LEU 540 -6.074 -2.372 -4.640 290 HD21 LEU 540 HD21 LEU 540 -6.802 -5.127 -3.628 291 HD22 LEU 540 HD22 LEU 540 -7.899 -3.841 -4.133 292 HD23 LEU 540 HD23 LEU 540 -8.070 -4.570 -2.536 293 H GLY 541 HN GLY 541 -5.079 -3.226 1.338 294 HA2 GLY 541 HA2 GLY 541 -3.159 -5.102 2.012 295 HA3 GLY 541 HA3 GLY 541 -3.670 -3.767 3.037 296 H LEU 542 HN LEU 542 -6.183 -4.481 3.800 297 HA LEU 542 HA LEU 542 -5.474 -5.994 6.018 298 HB2 LEU 542 HB2 LEU 542 -8.118 -5.126 4.951 299 HB3 LEU 542 HB1 LEU 542 -8.004 -6.092 6.410 300 HG LEU 542 HG LEU 542 -6.588 -3.455 6.047 301 HD11 LEU 542 HD11 LEU 542 -8.338 -2.517 7.473 302 HD12 LEU 542 HD12 LEU 542 -9.203 -4.052 7.415 303 HD13 LEU 542 HD13 LEU 542 -8.988 -3.106 5.944 304 HD21 LEU 542 HD21 LEU 542 -7.161 -5.149 8.476 305 HD22 LEU 542 HD22 LEU 542 -6.364 -3.576 8.479 306 HD23 LEU 542 HD23 LEU 542 -5.595 -4.951 7.693 307 HA PRO 543 HA PRO 543 -8.147 -9.686 4.214 308 HB2 PRO 543 HB2 PRO 543 -7.285 -9.439 1.373 309 HB3 PRO 543 HB1 PRO 543 -8.832 -9.972 2.040 310 HG2 PRO 543 HG2 PRO 543 -8.645 -7.566 0.984 311 HG3 PRO 543 HG3 PRO 543 -9.527 -7.789 2.512 312 HD2 PRO 543 HD2 PRO 543 -6.738 -6.758 2.069 313 HD3 PRO 543 HD3 PRO 543 -8.012 -6.127 3.133 314 H PHE 544 HN PHE 544 -4.922 -8.769 3.000 315 HA PHE 544 HA PHE 544 -4.125 -11.581 3.242 316 HB2 PHE 544 HB2 PHE 544 -2.688 -9.239 1.987 317 HB3 PHE 544 HB3 PHE 544 -2.062 -10.881 2.058 318 HD1 PHE 544 HD1 PHE 544 -3.076 -12.652 0.719 319 HD2 PHE 544 HD2 PHE 544 -4.400 -8.618 0.442 320 HE1 PHE 544 HE1 PHE 544 -4.212 -13.176 -1.398 321 HE2 PHE 544 HE2 PHE 544 -5.536 -9.133 -1.680 322 HZ PHE 544 HZ PHE 544 -5.468 -11.412 -2.589 323 H GLY 545 HN GLY 545 -4.162 -8.807 5.079 324 HA2 GLY 545 HA2 GLY 545 -2.776 -9.807 7.240 325 HA3 GLY 545 HA3 GLY 545 -1.579 -8.935 6.292 326 H LYS 546 HN LYS 546 -2.555 -8.318 8.966 327 HA LYS 546 HA LYS 546 -4.443 -6.223 8.877 328 HB2 LYS 546 HB2 LYS 546 -3.882 -7.503 10.925 329 HB3 LYS 546 HB3 LYS 546 -2.308 -6.721 10.957 330 HG2 LYS 546 HG2 LYS 546 -3.411 -4.541 11.216 331 HG3 LYS 546 HG3 LYS 546 -4.978 -5.353 11.231 332 HD2 LYS 546 HD2 LYS 546 -4.265 -6.623 13.223 333 HD3 LYS 546 HD3 LYS 546 -2.743 -5.732 13.223 334 HE2 LYS 546 HE2 LYS 546 -4.004 -3.631 13.478 335 HE3 LYS 546 HE3 LYS 546 -5.501 -4.557 13.550 336 HZ1 LYS 546 HZ1 LYS 546 -3.246 -4.809 15.463 337 HZ2 LYS 546 HZ2 LYS 546 -4.723 -5.626 15.553 338 HZ3 LYS 546 HZ3 LYS 546 -4.670 -3.948 15.750 339 H VAL 547 HN VAL 547 -4.264 -4.144 8.425 340 HA VAL 547 HA VAL 547 -1.721 -3.057 7.571 341 HB VAL 547 HB VAL 547 -4.540 -1.978 7.491 342 HG11 VAL 547 HG11 VAL 547 -2.844 -0.165 7.694 343 HG12 VAL 547 HG12 VAL 547 -3.761 -0.134 6.190 344 HG13 VAL 547 HG13 VAL 547 -2.107 -0.756 6.204 345 HG21 VAL 547 HG21 VAL 547 -2.716 -3.110 5.390 346 HG22 VAL 547 HG22 VAL 547 -4.231 -2.279 5.041 347 HG23 VAL 547 HG23 VAL 547 -4.242 -3.779 5.968 348 H THR 548 HN THR 548 -0.425 -2.150 9.022 349 HA THR 548 HA THR 548 -1.524 -0.977 11.442 350 HB THR 548 HB THR 548 0.929 -0.728 12.042 351 HG1 THR 548 HG1 THR 548 2.285 -1.055 10.450 352 HG21 THR 548 HG21 THR 548 -0.421 -2.595 12.859 353 HG22 THR 548 HG22 THR 548 1.221 -3.123 12.497 354 HG23 THR 548 HG23 THR 548 -0.091 -3.493 11.378 355 H ASN 549 HN ASN 549 0.197 -0.008 8.551 356 HA ASN 549 HA ASN 549 -0.514 2.776 9.110 357 HB2 ASN 549 HB2 ASN 549 2.290 1.834 8.510 358 HB3 ASN 549 HB3 ASN 549 1.777 3.470 8.154 359 HD21 ASN 549 HD21 ASN 549 3.861 2.707 9.862 360 HD22 ASN 549 HD22 ASN 549 3.457 3.301 11.434 361 H TYR 550 HN TYR 550 -0.372 4.148 7.248 362 HA TYR 550 HA TYR 550 -0.054 3.024 4.632 363 HB2 TYR 550 HB2 TYR 550 -2.410 3.485 3.940 364 HB3 TYR 550 HB3 TYR 550 -2.280 2.176 5.111 365 HD1 TYR 550 HD1 TYR 550 -4.069 5.031 4.269 366 HD2 TYR 550 HD2 TYR 550 -2.495 3.010 7.660 367 HE1 TYR 550 HE1 TYR 550 -5.674 6.194 5.722 368 HE2 TYR 550 HE2 TYR 550 -4.107 4.166 9.109 369 HH TYR 550 HH TYR 550 -6.718 6.021 7.799 370 H ILE 551 HN ILE 551 -0.125 4.693 2.987 371 HA ILE 551 HA ILE 551 -0.257 7.455 3.936 372 HB ILE 551 HB ILE 551 2.170 6.296 2.545 373 HG12 ILE 551 HG12 ILE 551 1.976 7.440 5.342 374 HG13 ILE 551 HG13 ILE 551 2.014 5.718 4.976 375 HG21 ILE 551 HG21 ILE 551 1.701 8.550 1.812 376 HG22 ILE 551 HG22 ILE 551 3.144 8.531 2.828 377 HG23 ILE 551 HG23 ILE 551 1.610 9.101 3.485 378 HD11 ILE 551 HD11 ILE 551 4.238 5.973 4.015 379 HD12 ILE 551 HD12 ILE 551 4.187 6.529 5.689 380 HD13 ILE 551 HD13 ILE 551 4.195 7.700 4.370 381 H LEU 552 HN LEU 552 -1.272 8.648 2.334 382 HA LEU 552 HA LEU 552 -1.454 7.312 -0.273 383 HB2 LEU 552 HB2 LEU 552 -3.405 9.120 1.139 384 HB3 LEU 552 HB1 LEU 552 -3.532 8.715 -0.564 385 HG LEU 552 HG LEU 552 -3.778 6.883 1.804 386 HD11 LEU 552 HD11 LEU 552 -5.637 7.735 -0.398 387 HD12 LEU 552 HD12 LEU 552 -5.714 8.220 1.295 388 HD13 LEU 552 HD13 LEU 552 -6.009 6.542 0.843 389 HD21 LEU 552 HD21 LEU 552 -4.151 5.081 0.202 390 HD22 LEU 552 HD22 LEU 552 -2.517 5.726 0.056 391 HD23 LEU 552 HD23 LEU 552 -3.750 6.165 -1.129 392 H MET 553 HN MET 553 -0.329 8.270 -1.861 393 HA MET 553 HA MET 553 0.458 11.088 -1.428 394 HB2 MET 553 HB2 MET 553 1.763 9.150 -3.346 395 HB3 MET 553 HB3 MET 553 2.405 10.670 -2.744 396 HG2 MET 553 HG2 MET 553 3.033 9.768 -0.727 397 HG3 MET 553 HG3 MET 553 1.853 8.462 -0.825 398 HE1 MET 553 HE1 MET 553 5.396 9.740 -2.111 399 HE2 MET 553 HE2 MET 553 4.352 9.727 -3.530 400 HE3 MET 553 HE3 MET 553 5.681 8.576 -3.403 401 H LYS 554 HN LYS 554 -1.742 11.487 -2.250 402 HA LYS 554 HA LYS 554 -2.687 11.093 -4.714 403 HB2 LYS 554 HB2 LYS 554 -2.907 13.902 -3.810 404 HB3 LYS 554 HB3 LYS 554 -4.155 12.788 -4.337 405 HG2 LYS 554 HG2 LYS 554 -2.825 12.845 -1.636 406 HG3 LYS 554 HG3 LYS 554 -4.463 13.367 -2.016 407 HD2 LYS 554 HD2 LYS 554 -4.926 10.995 -2.743 408 HD3 LYS 554 HD3 LYS 554 -3.358 10.553 -2.054 409 HE2 LYS 554 HE2 LYS 554 -5.767 11.679 -0.628 410 HE3 LYS 554 HE3 LYS 554 -5.003 10.108 -0.391 411 HZ1 LYS 554 HZ1 LYS 554 -3.024 11.277 0.447 412 HZ2 LYS 554 HZ2 LYS 554 -4.396 11.593 1.381 413 HZ3 LYS 554 HZ3 LYS 554 -3.836 12.755 0.292 414 H SER 555 HN SER 555 0.128 13.033 -4.021 415 HA SER 555 HA SER 555 -0.128 14.791 -6.235 416 HB2 SER 555 HB2 SER 555 2.210 15.411 -5.632 417 HB3 SER 555 HB3 SER 555 1.099 15.472 -4.262 418 HG SER 555 HG SER 555 3.238 14.365 -4.001 419 H THR 556 HN THR 556 1.779 11.855 -5.601 420 HA THR 556 HA THR 556 2.800 11.950 -8.337 421 HB THR 556 HB THR 556 4.320 10.125 -7.568 422 HG1 THR 556 HG1 THR 556 4.378 9.741 -5.302 423 HG21 THR 556 HG21 THR 556 5.063 12.448 -7.505 424 HG22 THR 556 HG22 THR 556 5.711 11.547 -6.134 425 HG23 THR 556 HG23 THR 556 4.349 12.643 -5.904 426 H ASN 557 HN ASN 557 0.098 10.814 -7.060 427 HA ASN 557 HA ASN 557 -1.393 9.159 -7.515 428 HB2 ASN 557 HB2 ASN 557 0.387 8.804 -9.941 429 HB3 ASN 557 HB3 ASN 557 -1.132 7.945 -9.710 430 HD21 ASN 557 HD21 ASN 557 -3.052 9.027 -9.937 431 HD22 ASN 557 HD22 ASN 557 -3.160 10.613 -10.629 432 H GLN 558 HN GLN 558 0.487 8.594 -5.662 433 HA GLN 558 HA GLN 558 0.975 5.720 -5.994 434 HB2 GLN 558 HB2 GLN 558 3.051 7.729 -5.090 435 HB3 GLN 558 HB3 GLN 558 3.250 5.981 -5.049 436 HG2 GLN 558 HG2 GLN 558 3.120 5.880 -7.462 437 HG3 GLN 558 HG3 GLN 558 2.804 7.613 -7.539 438 HE21 GLN 558 HE21 GLN 558 4.605 8.025 -8.786 439 HE22 GLN 558 HE22 GLN 558 6.214 7.941 -8.154 440 H ALA 559 HN ALA 559 1.561 4.695 -3.808 441 HA ALA 559 HA ALA 559 0.988 6.269 -1.473 442 HB1 ALA 559 HB1 ALA 559 -0.919 4.917 -0.732 443 HB2 ALA 559 HB2 ALA 559 -0.924 4.093 -2.296 444 HB3 ALA 559 HB3 ALA 559 -1.268 5.825 -2.208 445 H PHE 560 HN PHE 560 1.155 4.971 0.511 446 HA PHE 560 HA PHE 560 2.797 2.535 0.140 447 HB2 PHE 560 HB2 PHE 560 2.995 4.617 2.312 448 HB3 PHE 560 HB3 PHE 560 3.768 3.046 2.412 449 HD1 PHE 560 HD1 PHE 560 5.776 2.596 1.251 450 HD2 PHE 560 HD2 PHE 560 3.711 6.252 0.617 451 HE1 PHE 560 HE1 PHE 560 7.715 3.468 0.016 452 HE2 PHE 560 HE2 PHE 560 5.649 7.138 -0.613 453 HZ PHE 560 HZ PHE 560 7.725 5.784 -0.767 454 H LEU 561 HN LEU 561 2.560 0.843 1.592 455 HA LEU 561 HA LEU 561 0.221 0.922 3.363 456 HB2 LEU 561 HB2 LEU 561 -0.447 -0.026 1.178 457 HB3 LEU 561 HB1 LEU 561 0.817 -1.227 1.321 458 HG LEU 561 HG LEU 561 -0.339 -2.163 3.307 459 HD11 LEU 561 HD11 LEU 561 -1.520 -0.186 4.054 460 HD12 LEU 561 HD12 LEU 561 -2.669 -1.484 3.720 461 HD13 LEU 561 HD13 LEU 561 -2.471 -0.162 2.568 462 HD21 LEU 561 HD21 LEU 561 -1.993 -3.332 2.064 463 HD22 LEU 561 HD22 LEU 561 -0.688 -2.964 0.933 464 HD23 LEU 561 HD23 LEU 561 -2.171 -2.006 0.918 465 H GLU 562 HN GLU 562 0.924 0.379 5.315 466 HA GLU 562 HA GLU 562 3.251 -1.392 5.560 467 HB2 GLU 562 HB2 GLU 562 3.140 0.828 6.802 468 HB3 GLU 562 HB3 GLU 562 1.902 0.091 7.807 469 HG2 GLU 562 HG2 GLU 562 3.498 -1.671 8.445 470 HG3 GLU 562 HG3 GLU 562 4.741 -0.857 7.500 471 H MET 563 HN MET 563 3.080 -3.387 6.157 472 HA MET 563 HA MET 563 0.464 -4.378 7.053 473 HB2 MET 563 HB2 MET 563 2.647 -5.866 5.581 474 HB3 MET 563 HB3 MET 563 1.008 -6.429 5.894 475 HG2 MET 563 HG2 MET 563 0.075 -4.999 4.335 476 HG3 MET 563 HG3 MET 563 1.464 -3.915 4.352 477 HE1 MET 563 HE1 MET 563 1.527 -5.144 0.666 478 HE2 MET 563 HE2 MET 563 1.615 -3.743 1.735 479 HE3 MET 563 HE3 MET 563 0.136 -4.703 1.657 480 H ALA 564 HN ALA 564 0.426 -5.995 8.650 481 HA ALA 564 HA ALA 564 2.167 -5.366 10.779 482 HB1 ALA 564 HB1 ALA 564 -0.180 -5.947 11.099 483 HB2 ALA 564 HB2 ALA 564 0.878 -6.981 12.058 484 HB3 ALA 564 HB3 ALA 564 0.155 -7.597 10.573 485 H TYR 565 HN TYR 565 2.308 -7.841 8.372 486 HA TYR 565 HA TYR 565 4.737 -8.860 9.620 487 HB2 TYR 565 HB2 TYR 565 2.373 -10.567 8.843 488 HB3 TYR 565 HB3 TYR 565 3.993 -11.218 9.042 489 HD1 TYR 565 HD1 TYR 565 1.038 -9.951 10.754 490 HD2 TYR 565 HD2 TYR 565 5.047 -11.282 11.258 491 HE1 TYR 565 HE1 TYR 565 0.644 -10.212 13.166 492 HE2 TYR 565 HE2 TYR 565 4.663 -11.550 13.670 493 HH TYR 565 HH TYR 565 3.198 -10.744 15.396 494 H THR 566 HN THR 566 6.085 -10.055 8.170 495 HA THR 566 HA THR 566 6.251 -8.813 5.619 496 HB THR 566 HB THR 566 8.232 -9.577 6.952 497 HG1 THR 566 HG1 THR 566 9.408 -10.063 5.130 498 HG21 THR 566 HG21 THR 566 7.523 -11.744 7.686 499 HG22 THR 566 HG22 THR 566 8.934 -11.952 6.650 500 HG23 THR 566 HG23 THR 566 7.322 -12.297 6.026 501 H GLU 567 HN GLU 567 4.919 -11.805 6.769 502 HA GLU 567 HA GLU 567 4.659 -13.281 4.432 503 HB2 GLU 567 HB2 GLU 567 2.649 -14.289 5.508 504 HB3 GLU 567 HB3 GLU 567 4.051 -14.229 6.569 505 HG2 GLU 567 HG2 GLU 567 3.153 -12.330 7.730 506 HG3 GLU 567 HG3 GLU 567 1.802 -12.223 6.608 507 H ALA 568 HN ALA 568 2.919 -10.477 5.510 508 HA ALA 568 HA ALA 568 0.685 -10.788 3.742 509 HB1 ALA 568 HB1 ALA 568 0.513 -9.580 5.875 510 HB2 ALA 568 HB2 ALA 568 0.026 -8.584 4.505 511 HB3 ALA 568 HB3 ALA 568 1.606 -8.346 5.249 512 H ALA 569 HN ALA 569 3.678 -8.894 3.734 513 HA ALA 569 HA ALA 569 3.026 -7.264 1.534 514 HB1 ALA 569 HB1 ALA 569 4.768 -6.687 3.147 515 HB2 ALA 569 HB2 ALA 569 5.401 -6.699 1.500 516 HB3 ALA 569 HB3 ALA 569 5.743 -8.046 2.586 517 H GLN 570 HN GLN 570 4.891 -10.270 1.787 518 HA GLN 570 HA GLN 570 5.574 -10.362 -0.959 519 HB2 GLN 570 HB2 GLN 570 6.160 -12.739 -0.496 520 HB3 GLN 570 HB3 GLN 570 6.899 -11.595 0.615 521 HG2 GLN 570 HG2 GLN 570 5.142 -12.119 2.265 522 HG3 GLN 570 HG3 GLN 570 4.504 -13.329 1.154 523 HE21 GLN 570 HE21 GLN 570 4.862 -14.997 2.603 524 HE22 GLN 570 HE22 GLN 570 6.446 -15.591 2.948 525 H ALA 571 HN ALA 571 2.865 -11.606 0.900 526 HA ALA 571 HA ALA 571 1.772 -13.277 -1.085 527 HB1 ALA 571 HB1 ALA 571 1.125 -13.401 1.272 528 HB2 ALA 571 HB2 ALA 571 -0.277 -13.190 0.225 529 HB3 ALA 571 HB3 ALA 571 0.354 -11.821 1.141 530 H MET 572 HN MET 572 1.181 -9.871 -0.259 531 HA MET 572 HA MET 572 -0.893 -9.537 -2.169 532 HB2 MET 572 HB2 MET 572 0.850 -7.390 -0.958 533 HB3 MET 572 HB3 MET 572 -0.707 -7.157 -1.738 534 HG2 MET 572 HG2 MET 572 -1.674 -8.658 0.046 535 HG3 MET 572 HG3 MET 572 -0.124 -8.505 0.871 536 HE1 MET 572 HE1 MET 572 -0.371 -7.299 2.926 537 HE2 MET 572 HE2 MET 572 -2.086 -7.696 2.830 538 HE3 MET 572 HE3 MET 572 -1.584 -6.063 3.252 539 H VAL 573 HN VAL 573 2.598 -8.827 -2.241 540 HA VAL 573 HA VAL 573 2.620 -7.493 -4.699 541 HB VAL 573 HB VAL 573 4.781 -9.202 -3.448 542 HG11 VAL 573 HG11 VAL 573 6.343 -8.001 -4.919 543 HG12 VAL 573 HG12 VAL 573 4.977 -7.222 -5.718 544 HG13 VAL 573 HG13 VAL 573 5.188 -8.969 -5.838 545 HG21 VAL 573 HG21 VAL 573 4.140 -7.312 -2.065 546 HG22 VAL 573 HG22 VAL 573 4.323 -6.219 -3.437 547 HG23 VAL 573 HG23 VAL 573 5.736 -7.035 -2.765 548 H GLN 574 HN GLN 574 3.067 -10.953 -3.976 549 HA GLN 574 HA GLN 574 3.378 -11.724 -6.682 550 HB2 GLN 574 HB2 GLN 574 2.525 -13.331 -4.271 551 HB3 GLN 574 HB3 GLN 574 2.889 -14.023 -5.846 552 HG2 GLN 574 HG2 GLN 574 5.172 -13.048 -5.675 553 HG3 GLN 574 HG3 GLN 574 4.781 -12.552 -4.030 554 HE21 GLN 574 HE21 GLN 574 3.674 -15.539 -5.473 555 HE22 GLN 574 HE22 GLN 574 4.622 -16.583 -4.489 556 H TYR 575 HN TYR 575 0.583 -11.391 -4.590 557 HA TYR 575 HA TYR 575 -1.245 -12.708 -6.327 558 HB2 TYR 575 HB2 TYR 575 -1.814 -12.468 -3.998 559 HB3 TYR 575 HB3 TYR 575 -1.707 -10.714 -4.103 560 HD1 TYR 575 HD1 TYR 575 -3.589 -9.430 -4.734 561 HD2 TYR 575 HD2 TYR 575 -3.646 -13.650 -5.266 562 HE1 TYR 575 HE1 TYR 575 -5.991 -9.329 -5.259 563 HE2 TYR 575 HE2 TYR 575 -6.042 -13.561 -5.792 564 HH TYR 575 HH TYR 575 -7.959 -12.095 -5.358 565 H TYR 576 HN TYR 576 -0.684 -9.240 -5.696 566 HA TYR 576 HA TYR 576 -2.472 -8.435 -7.746 567 HB2 TYR 576 HB2 TYR 576 -0.448 -6.884 -6.141 568 HB3 TYR 576 HB3 TYR 576 -1.548 -6.138 -7.301 569 HD1 TYR 576 HD1 TYR 576 -4.059 -6.506 -6.952 570 HD2 TYR 576 HD2 TYR 576 -1.160 -7.309 -3.946 571 HE1 TYR 576 HE1 TYR 576 -5.824 -6.450 -5.241 572 HE2 TYR 576 HE2 TYR 576 -2.916 -7.249 -2.227 573 HH TYR 576 HH TYR 576 -6.219 -7.323 -2.978 574 H GLN 577 HN GLN 577 0.734 -9.471 -7.926 575 HA GLN 577 HA GLN 577 1.293 -8.064 -10.395 576 HB2 GLN 577 HB2 GLN 577 2.721 -10.306 -8.992 577 HB3 GLN 577 HB3 GLN 577 3.177 -9.786 -10.608 578 HG2 GLN 577 HG2 GLN 577 3.497 -7.490 -9.706 579 HG3 GLN 577 HG3 GLN 577 3.208 -8.139 -8.093 580 HE21 GLN 577 HE21 GLN 577 4.579 -10.659 -8.732 581 HE22 GLN 577 HE22 GLN 577 6.267 -10.287 -8.713 582 H GLU 578 HN GLU 578 0.006 -11.185 -9.439 583 HA GLU 578 HA GLU 578 -0.265 -12.019 -12.208 584 HB2 GLU 578 HB2 GLU 578 -1.266 -13.336 -9.676 585 HB3 GLU 578 HB3 GLU 578 -1.269 -14.056 -11.281 586 HG2 GLU 578 HG2 GLU 578 1.167 -13.263 -9.703 587 HG3 GLU 578 HG3 GLU 578 0.564 -14.902 -9.930 588 H LYS 579 HN LYS 579 -2.357 -10.962 -9.538 589 HA LYS 579 HA LYS 579 -4.436 -10.338 -11.524 590 HB2 LYS 579 HB2 LYS 579 -4.851 -11.423 -8.728 591 HB3 LYS 579 HB3 LYS 579 -6.131 -10.871 -9.797 592 HG2 LYS 579 HG2 LYS 579 -5.602 -12.659 -11.366 593 HG3 LYS 579 HG3 LYS 579 -4.301 -13.207 -10.303 594 HD2 LYS 579 HD2 LYS 579 -5.928 -13.629 -8.527 595 HD3 LYS 579 HD3 LYS 579 -7.229 -13.076 -9.582 596 HE2 LYS 579 HE2 LYS 579 -6.737 -14.894 -11.138 597 HE3 LYS 579 HE3 LYS 579 -5.431 -15.440 -10.088 598 HZ1 LYS 579 HZ1 LYS 579 -8.306 -15.338 -9.354 599 HZ2 LYS 579 HZ2 LYS 579 -7.051 -15.866 -8.351 600 HZ3 LYS 579 HZ3 LYS 579 -7.436 -16.733 -9.747 601 HA PRO 580 HA PRO 580 -3.236 -6.536 -9.296 602 HB2 PRO 580 HB2 PRO 580 -3.830 -4.839 -11.316 603 HB3 PRO 580 HB1 PRO 580 -2.317 -5.746 -11.247 604 HG2 PRO 580 HG2 PRO 580 -4.790 -6.305 -12.827 605 HG3 PRO 580 HG3 PRO 580 -3.090 -6.454 -13.311 606 HD2 PRO 580 HD2 PRO 580 -4.630 -8.574 -12.558 607 HD3 PRO 580 HD3 PRO 580 -2.869 -8.522 -12.347 608 H ALA 581 HN ALA 581 -4.416 -4.701 -8.559 609 HA ALA 581 HA ALA 581 -7.305 -5.126 -8.495 610 HB1 ALA 581 HB1 ALA 581 -6.118 -4.742 -6.367 611 HB2 ALA 581 HB2 ALA 581 -7.317 -3.491 -6.690 612 HB3 ALA 581 HB3 ALA 581 -5.605 -3.159 -6.953 613 H ILE 582 HN ILE 582 -8.727 -3.777 -9.474 614 HA ILE 582 HA ILE 582 -7.539 -1.771 -11.253 615 HB ILE 582 HB ILE 582 -10.305 -2.989 -11.370 616 HG12 ILE 582 HG12 ILE 582 -7.840 -3.641 -13.006 617 HG13 ILE 582 HG13 ILE 582 -8.502 -4.656 -11.730 618 HG21 ILE 582 HG21 ILE 582 -8.775 -1.358 -13.397 619 HG22 ILE 582 HG22 ILE 582 -10.121 -0.779 -12.419 620 HG23 ILE 582 HG23 ILE 582 -10.384 -2.045 -13.618 621 HD11 ILE 582 HD11 ILE 582 -10.549 -4.942 -13.021 622 HD12 ILE 582 HD12 ILE 582 -9.129 -5.473 -13.924 623 HD13 ILE 582 HD13 ILE 582 -9.886 -3.924 -14.299 624 H ILE 583 HN ILE 583 -7.700 0.287 -10.715 625 HA ILE 583 HA ILE 583 -10.071 1.176 -9.198 626 HB ILE 583 HB ILE 583 -7.220 2.151 -8.976 627 HG12 ILE 583 HG12 ILE 583 -7.771 0.150 -7.640 628 HG13 ILE 583 HG13 ILE 583 -7.419 1.547 -6.628 629 HG21 ILE 583 HG21 ILE 583 -8.091 3.799 -7.351 630 HG22 ILE 583 HG22 ILE 583 -9.729 3.350 -7.831 631 HG23 ILE 583 HG23 ILE 583 -8.633 4.077 -9.006 632 HD11 ILE 583 HD11 ILE 583 -9.283 0.320 -5.735 633 HD12 ILE 583 HD12 ILE 583 -10.142 0.449 -7.270 634 HD13 ILE 583 HD13 ILE 583 -9.824 1.896 -6.313 635 H ASN 584 HN ASN 584 -11.323 2.255 -10.585 636 HA ASN 584 HA ASN 584 -12.038 3.582 -12.262 637 HB2 ASN 584 HB2 ASN 584 -9.595 5.154 -11.441 638 HB3 ASN 584 HB3 ASN 584 -10.734 5.722 -12.658 639 HD21 ASN 584 HD21 ASN 584 -10.191 5.164 -9.296 640 HD22 ASN 584 HD22 ASN 584 -11.616 5.949 -8.723 641 H GLY 585 HN GLY 585 -10.562 1.331 -12.950 642 HA2 GLY 585 HA2 GLY 585 -10.113 0.417 -15.021 643 HA3 GLY 585 HA3 GLY 585 -10.002 2.032 -15.693 644 H GLU 586 HN GLU 586 -8.037 1.962 -13.013 645 HA GLU 586 HA GLU 586 -5.732 1.261 -14.700 646 HB2 GLU 586 HB2 GLU 586 -5.855 3.140 -12.337 647 HB3 GLU 586 HB3 GLU 586 -4.399 2.746 -13.244 648 HG2 GLU 586 HG2 GLU 586 -5.605 3.616 -15.293 649 HG3 GLU 586 HG3 GLU 586 -6.819 4.253 -14.186 650 H LYS 587 HN LYS 587 -4.571 -0.417 -14.181 651 HA LYS 587 HA LYS 587 -5.157 -2.048 -11.926 652 HB2 LYS 587 HB2 LYS 587 -2.857 -2.184 -13.873 653 HB3 LYS 587 HB3 LYS 587 -3.341 -3.467 -12.773 654 HG2 LYS 587 HG2 LYS 587 -5.485 -3.656 -13.927 655 HG3 LYS 587 HG3 LYS 587 -5.008 -2.360 -15.025 656 HD2 LYS 587 HD2 LYS 587 -3.143 -3.715 -15.825 657 HD3 LYS 587 HD3 LYS 587 -3.592 -5.006 -14.712 658 HE2 LYS 587 HE2 LYS 587 -5.784 -5.164 -15.856 659 HE3 LYS 587 HE3 LYS 587 -5.230 -3.954 -17.011 660 HZ1 LYS 587 HZ1 LYS 587 -3.954 -6.596 -16.560 661 HZ2 LYS 587 HZ2 LYS 587 -3.472 -5.442 -17.698 662 HZ3 LYS 587 HZ3 LYS 587 -4.970 -6.210 -17.855 663 H LEU 588 HN LEU 588 -4.322 -1.986 -9.946 664 HA LEU 588 HA LEU 588 -2.256 -0.096 -9.298 665 HB2 LEU 588 HB2 LEU 588 -3.581 -2.136 -7.525 666 HB3 LEU 588 HB1 LEU 588 -2.624 -0.767 -6.999 667 HG LEU 588 HG LEU 588 -5.359 -0.726 -8.249 668 HD11 LEU 588 HD11 LEU 588 -5.955 0.398 -6.167 669 HD12 LEU 588 HD12 LEU 588 -4.292 0.243 -5.606 670 HD13 LEU 588 HD13 LEU 588 -5.271 -1.197 -5.872 671 HD21 LEU 588 HD21 LEU 588 -5.243 1.713 -8.119 672 HD22 LEU 588 HD22 LEU 588 -4.053 1.065 -9.247 673 HD23 LEU 588 HD23 LEU 588 -3.547 1.606 -7.647 674 H LEU 589 HN LEU 589 -0.221 -0.476 -8.642 675 HA LEU 589 HA LEU 589 0.763 -3.247 -8.863 676 HB2 LEU 589 HB2 LEU 589 1.711 -1.788 -10.558 677 HB3 LEU 589 HB1 LEU 589 2.203 -0.634 -9.332 678 HG LEU 589 HG LEU 589 3.731 -2.390 -8.400 679 HD11 LEU 589 HD11 LEU 589 2.646 -4.365 -9.259 680 HD12 LEU 589 HD12 LEU 589 4.293 -4.277 -9.888 681 HD13 LEU 589 HD13 LEU 589 2.929 -3.835 -10.917 682 HD21 LEU 589 HD21 LEU 589 5.408 -2.148 -10.178 683 HD22 LEU 589 HD22 LEU 589 4.578 -0.630 -9.837 684 HD23 LEU 589 HD23 LEU 589 4.150 -1.565 -11.268 685 H ILE 590 HN ILE 590 0.963 -4.071 -6.853 686 HA ILE 590 HA ILE 590 2.045 -2.351 -4.737 687 HB ILE 590 HB ILE 590 0.793 -5.099 -4.497 688 HG12 ILE 590 HG12 ILE 590 -0.299 -2.330 -3.962 689 HG13 ILE 590 HG13 ILE 590 -0.903 -3.509 -5.117 690 HG21 ILE 590 HG21 ILE 590 2.415 -4.709 -2.743 691 HG22 ILE 590 HG22 ILE 590 0.785 -4.633 -2.076 692 HG23 ILE 590 HG23 ILE 590 1.685 -3.146 -2.377 693 HD11 ILE 590 HD11 ILE 590 -1.059 -3.657 -2.109 694 HD12 ILE 590 HD12 ILE 590 -1.512 -4.972 -3.200 695 HD13 ILE 590 HD13 ILE 590 -2.388 -3.442 -3.258 696 H ARG 591 HN ARG 591 4.142 -2.497 -4.252 697 HA ARG 591 HA ARG 591 5.547 -5.019 -4.518 698 HB2 ARG 591 HB2 ARG 591 6.107 -2.635 -6.241 699 HB3 ARG 591 HB3 ARG 591 7.440 -3.660 -5.730 700 HG2 ARG 591 HG2 ARG 591 6.294 -5.602 -6.731 701 HG3 ARG 591 HG3 ARG 591 5.020 -4.522 -7.304 702 HD2 ARG 591 HD2 ARG 591 6.629 -3.297 -8.640 703 HD3 ARG 591 HD3 ARG 591 7.942 -4.294 -8.016 704 HE ARG 591 HE ARG 591 6.441 -6.171 -9.110 705 HH11 ARG 591 HH11 ARG 591 7.233 -2.999 -10.349 706 HH12 ARG 591 HH12 ARG 591 7.158 -3.479 -12.012 707 HH21 ARG 591 HH21 ARG 591 6.358 -6.818 -11.315 708 HH22 ARG 591 HH22 ARG 591 6.666 -5.648 -12.560 709 H MET 592 HN MET 592 7.838 -4.771 -3.730 710 HA MET 592 HA MET 592 7.707 -3.371 -1.197 711 HB2 MET 592 HB2 MET 592 9.760 -5.247 -2.375 712 HB3 MET 592 HB3 MET 592 9.895 -4.525 -0.781 713 HG2 MET 592 HG2 MET 592 7.750 -5.603 -0.168 714 HG3 MET 592 HG3 MET 592 7.758 -6.413 -1.733 715 HE1 MET 592 HE1 MET 592 8.615 -9.283 0.814 716 HE2 MET 592 HE2 MET 592 7.513 -8.750 -0.456 717 HE3 MET 592 HE3 MET 592 7.544 -7.911 1.095 718 H SER 593 HN SER 593 8.922 -1.622 -0.598 719 HA SER 593 HA SER 593 10.046 -0.079 -2.751 720 HB2 SER 593 HB2 SER 593 9.895 0.569 0.196 721 HB3 SER 593 HB3 SER 593 10.196 1.705 -1.120 722 HG SER 593 HG SER 593 8.029 1.789 -0.549 723 H THR 594 HN THR 594 12.089 0.510 -3.044 724 HA THR 594 HA THR 594 14.109 -1.172 -1.776 725 HB THR 594 HB THR 594 15.602 -0.257 -3.624 726 HG1 THR 594 HG1 THR 594 14.601 1.469 -4.471 727 HG21 THR 594 HG21 THR 594 14.636 -1.763 -5.300 728 HG22 THR 594 HG22 THR 594 13.130 -1.815 -4.385 729 HG23 THR 594 HG23 THR 594 14.605 -2.489 -3.694 730 H ARG 595 HN ARG 595 12.971 1.976 -1.339 731 HA ARG 595 HA ARG 595 15.675 3.019 -0.825 732 HB2 ARG 595 HB2 ARG 595 13.112 4.500 -1.381 733 HB3 ARG 595 HB3 ARG 595 14.611 5.280 -0.896 734 HG2 ARG 595 HG2 ARG 595 15.697 4.304 -2.903 735 HG3 ARG 595 HG3 ARG 595 14.115 3.708 -3.411 736 HD2 ARG 595 HD2 ARG 595 13.262 5.999 -3.438 737 HD3 ARG 595 HD3 ARG 595 14.836 6.594 -2.913 738 HE ARG 595 HE ARG 595 14.701 5.084 -5.412 739 HH11 ARG 595 HH11 ARG 595 15.021 8.173 -3.798 740 HH12 ARG 595 HH12 ARG 595 15.673 8.976 -5.190 741 HH21 ARG 595 HH21 ARG 595 15.560 6.142 -7.251 742 HH22 ARG 595 HH22 ARG 595 15.982 7.822 -7.155 743 H TYR 596 HN TYR 596 12.597 2.421 0.737 744 HA TYR 596 HA TYR 596 13.706 3.650 3.171 745 HB2 TYR 596 HB2 TYR 596 10.880 3.574 2.160 746 HB3 TYR 596 HB3 TYR 596 11.226 3.828 3.867 747 HD1 TYR 596 HD1 TYR 596 11.797 5.238 0.474 748 HD2 TYR 596 HD2 TYR 596 11.897 5.922 4.671 749 HE1 TYR 596 HE1 TYR 596 12.144 7.640 0.071 750 HE2 TYR 596 HE2 TYR 596 12.243 8.322 4.280 751 HH TYR 596 HH TYR 596 13.048 9.810 2.576 752 H LYS 597 HN LYS 597 13.472 2.674 5.134 753 HA LYS 597 HA LYS 597 12.772 -0.174 5.049 754 HB2 LYS 597 HB2 LYS 597 14.675 1.339 6.825 755 HB3 LYS 597 HB3 LYS 597 14.134 -0.294 7.192 756 HG2 LYS 597 HG2 LYS 597 16.255 -0.448 6.139 757 HG3 LYS 597 HG3 LYS 597 15.049 -1.009 4.986 758 HD2 LYS 597 HD2 LYS 597 15.101 1.243 3.931 759 HD3 LYS 597 HD3 LYS 597 16.419 1.677 5.021 760 HE2 LYS 597 HE2 LYS 597 16.441 -0.564 3.000 761 HE3 LYS 597 HE3 LYS 597 17.269 0.984 2.842 762 HZ1 LYS 597 HZ1 LYS 597 18.649 0.435 4.712 763 HZ2 LYS 597 HZ2 LYS 597 18.738 -0.821 3.585 764 HZ3 LYS 597 HZ3 LYS 597 17.804 -1.005 4.982 765 H GLU 598 HN GLU 598 11.711 2.817 6.267 766 HA GLU 598 HA GLU 598 9.744 1.400 7.879 767 HB2 GLU 598 HB2 GLU 598 11.548 1.990 9.445 768 HB3 GLU 598 HB3 GLU 598 11.416 3.673 8.962 769 HG2 GLU 598 HG2 GLU 598 9.156 3.771 9.858 770 HG3 GLU 598 HG3 GLU 598 9.261 2.069 10.316 771 H LEU 599 HN LEU 599 7.834 2.471 8.114 772 HA LEU 599 HA LEU 599 7.466 4.852 6.434 773 HB2 LEU 599 HB2 LEU 599 5.462 2.835 7.444 774 HB3 LEU 599 HB1 LEU 599 5.052 4.250 6.493 775 HG LEU 599 HG LEU 599 6.734 1.913 5.598 776 HD11 LEU 599 HD11 LEU 599 4.899 1.731 3.894 777 HD12 LEU 599 HD12 LEU 599 3.973 2.856 4.890 778 HD13 LEU 599 HD13 LEU 599 4.465 1.293 5.544 779 HD21 LEU 599 HD21 LEU 599 6.455 3.173 3.354 780 HD22 LEU 599 HD22 LEU 599 7.728 3.653 4.474 781 HD23 LEU 599 HD23 LEU 599 6.233 4.590 4.380 782 H GLN 600 HN GLN 600 7.068 6.750 7.302 783 HA GLN 600 HA GLN 600 6.270 6.867 10.131 784 HB2 GLN 600 HB2 GLN 600 8.475 7.859 9.571 785 HB3 GLN 600 HB3 GLN 600 7.676 8.962 8.463 786 HG2 GLN 600 HG2 GLN 600 6.443 9.940 10.335 787 HG3 GLN 600 HG3 GLN 600 7.269 8.844 11.441 788 HE21 GLN 600 HE21 GLN 600 7.560 11.653 9.441 789 HE22 GLN 600 HE22 GLN 600 9.099 12.172 10.030 790 H LEU 601 HN LEU 601 4.324 7.705 10.619 791 HA LEU 601 HA LEU 601 2.633 8.645 8.474 792 HB2 LEU 601 HB2 LEU 601 2.105 8.309 11.425 793 HB3 LEU 601 HB1 LEU 601 0.902 8.824 10.263 794 HG LEU 601 HG LEU 601 2.260 6.123 10.371 795 HD11 LEU 601 HD11 LEU 601 -0.600 6.977 10.822 796 HD12 LEU 601 HD12 LEU 601 0.545 6.486 12.071 797 HD13 LEU 601 HD13 LEU 601 0.008 5.321 10.860 798 HD21 LEU 601 HD21 LEU 601 0.734 5.523 8.529 799 HD22 LEU 601 HD22 LEU 601 1.901 6.755 8.053 800 HD23 LEU 601 HD23 LEU 601 0.234 7.210 8.408 801 H LYS 602 HN LYS 602 3.455 10.634 7.840 802 HA LYS 602 HA LYS 602 3.862 12.770 9.700 803 HB2 LYS 602 HB2 LYS 602 3.533 12.804 6.691 804 HB3 LYS 602 HB3 LYS 602 4.084 14.162 7.662 805 HG2 LYS 602 HG2 LYS 602 6.049 12.900 8.343 806 HG3 LYS 602 HG3 LYS 602 5.484 11.504 7.426 807 HD2 LYS 602 HD2 LYS 602 5.594 12.881 5.363 808 HD3 LYS 602 HD3 LYS 602 6.289 14.193 6.318 809 HE2 LYS 602 HE2 LYS 602 8.174 12.778 6.916 810 HE3 LYS 602 HE3 LYS 602 7.471 11.434 6.023 811 HZ1 LYS 602 HZ1 LYS 602 7.650 12.797 3.996 812 HZ2 LYS 602 HZ2 LYS 602 9.153 12.472 4.697 813 HZ3 LYS 602 HZ3 LYS 602 8.449 13.997 4.883 814 H LYS 603 HN LYS 603 1.143 11.371 8.269 815 HA LYS 603 HA LYS 603 -0.500 13.716 8.946 816 HB2 LYS 603 HB2 LYS 603 -0.964 11.636 6.795 817 HB3 LYS 603 HB3 LYS 603 -2.144 12.852 7.264 818 HG2 LYS 603 HG2 LYS 603 0.569 13.361 6.054 819 HG3 LYS 603 HG3 LYS 603 -0.995 13.532 5.252 820 HD2 LYS 603 HD2 LYS 603 -1.610 15.303 6.817 821 HD3 LYS 603 HD3 LYS 603 -0.062 15.123 7.642 822 HE2 LYS 603 HE2 LYS 603 0.118 16.995 6.189 823 HE3 LYS 603 HE3 LYS 603 1.059 15.684 5.480 824 HZ1 LYS 603 HZ1 LYS 603 -0.747 15.240 3.953 825 HZ2 LYS 603 HZ2 LYS 603 -0.288 16.866 3.837 826 HZ3 LYS 603 HZ3 LYS 603 -1.697 16.444 4.670 827 HA PRO 604 HA PRO 604 -2.660 11.287 11.932 828 HB2 PRO 604 HB2 PRO 604 -5.270 11.998 11.428 829 HB3 PRO 604 HB1 PRO 604 -4.131 12.979 12.357 830 HG2 PRO 604 HG2 PRO 604 -4.927 13.217 9.483 831 HG3 PRO 604 HG3 PRO 604 -4.676 14.496 10.686 832 HD2 PRO 604 HD2 PRO 604 -2.821 13.945 8.839 833 HD3 PRO 604 HD3 PRO 604 -2.367 14.394 10.495 834 H GLY 605 HN GLY 605 -3.911 9.428 12.194 835 HA2 GLY 605 HA2 GLY 605 -4.656 8.105 9.675 836 HA3 GLY 605 HA3 GLY 605 -3.976 7.266 11.064 837 H LYS 606 HN LYS 606 -6.256 6.464 9.891 838 HA LYS 606 HA LYS 606 -8.339 7.096 11.885 839 HB2 LYS 606 HB2 LYS 606 -8.639 6.043 9.058 840 HB3 LYS 606 HB3 LYS 606 -9.961 6.323 10.181 841 HG2 LYS 606 HG2 LYS 606 -9.636 8.672 10.115 842 HG3 LYS 606 HG3 LYS 606 -8.106 8.497 9.254 843 HD2 LYS 606 HD2 LYS 606 -9.266 7.630 7.309 844 HD3 LYS 606 HD3 LYS 606 -10.805 7.699 8.170 845 HE2 LYS 606 HE2 LYS 606 -10.741 10.078 8.253 846 HE3 LYS 606 HE3 LYS 606 -9.077 10.112 7.672 847 HZ1 LYS 606 HZ1 LYS 606 -10.728 10.659 5.951 848 HZ2 LYS 606 HZ2 LYS 606 -11.377 9.105 6.090 849 HZ3 LYS 606 HZ3 LYS 606 -9.783 9.313 5.551 850 H ASN 607 HN ASN 607 -9.497 5.239 12.754 851 HA ASN 607 HA ASN 607 -7.975 3.015 13.310 852 HB2 ASN 607 HB2 ASN 607 -9.888 3.618 14.660 853 HB3 ASN 607 HB3 ASN 607 -10.979 3.346 13.308 854 HD21 ASN 607 HD21 ASN 607 -12.176 1.878 14.523 855 HD22 ASN 607 HD22 ASN 607 -11.600 0.276 14.855 856 H VAL 608 HN VAL 608 -7.374 1.337 12.195 857 HA VAL 608 HA VAL 608 -8.419 0.991 9.515 858 HB VAL 608 HB VAL 608 -6.002 -0.178 10.899 859 HG11 VAL 608 HG11 VAL 608 -5.304 -0.894 8.640 860 HG12 VAL 608 HG12 VAL 608 -6.912 -0.477 8.053 861 HG13 VAL 608 HG13 VAL 608 -6.718 -1.755 9.248 862 HG21 VAL 608 HG21 VAL 608 -6.268 1.956 8.778 863 HG22 VAL 608 HG22 VAL 608 -4.747 1.307 9.396 864 HG23 VAL 608 HG23 VAL 608 -5.821 2.205 10.467 865 H ALA 609 HN ALA 609 -8.566 -0.559 12.609 866 HA ALA 609 HA ALA 609 -9.385 -3.134 11.791 867 HB1 ALA 609 HB1 ALA 609 -10.193 -1.602 14.263 868 HB2 ALA 609 HB2 ALA 609 -8.767 -2.627 14.102 869 HB3 ALA 609 HB3 ALA 609 -10.378 -3.339 14.019 870 H ALA 610 HN ALA 610 -11.086 -0.098 12.167 871 HA ALA 610 HA ALA 610 -13.710 -1.051 11.726 872 HB1 ALA 610 HB1 ALA 610 -14.268 1.273 11.224 873 HB2 ALA 610 HB2 ALA 610 -12.553 1.671 11.116 874 HB3 ALA 610 HB3 ALA 610 -13.246 1.169 12.657 875 H ILE 611 HN ILE 611 -11.027 -0.364 9.648 876 HA ILE 611 HA ILE 611 -12.504 -0.263 7.208 877 HB ILE 611 HB ILE 611 -9.551 -0.794 7.660 878 HG12 ILE 611 HG12 ILE 611 -11.017 1.731 6.862 879 HG13 ILE 611 HG13 ILE 611 -10.370 1.406 8.467 880 HG21 ILE 611 HG21 ILE 611 -9.262 -0.251 5.311 881 HG22 ILE 611 HG22 ILE 611 -11.002 -0.024 5.128 882 HG23 ILE 611 HG23 ILE 611 -10.354 -1.625 5.483 883 HD11 ILE 611 HD11 ILE 611 -8.809 1.738 5.919 884 HD12 ILE 611 HD12 ILE 611 -8.107 1.266 7.465 885 HD13 ILE 611 HD13 ILE 611 -8.871 2.847 7.287 886 H ILE 612 HN ILE 612 -10.988 -2.816 9.126 887 HA ILE 612 HA ILE 612 -11.328 -4.952 7.345 888 HB ILE 612 HB ILE 612 -11.727 -5.051 10.348 889 HG12 ILE 612 HG12 ILE 612 -9.205 -5.518 8.744 890 HG13 ILE 612 HG13 ILE 612 -9.541 -4.068 9.685 891 HG21 ILE 612 HG21 ILE 612 -11.082 -7.414 10.111 892 HG22 ILE 612 HG22 ILE 612 -11.029 -7.211 8.360 893 HG23 ILE 612 HG23 ILE 612 -12.557 -7.035 9.223 894 HD11 ILE 612 HD11 ILE 612 -9.258 -6.859 10.774 895 HD12 ILE 612 HD12 ILE 612 -9.598 -5.412 11.722 896 HD13 ILE 612 HD13 ILE 612 -8.059 -5.572 10.876 897 H GLN 613 HN GLN 613 -13.570 -3.533 9.719 898 HA GLN 613 HA GLN 613 -15.800 -5.155 9.102 899 HB2 GLN 613 HB2 GLN 613 -15.613 -2.335 10.166 900 HB3 GLN 613 HB3 GLN 613 -17.138 -3.188 9.983 901 HG2 GLN 613 HG2 GLN 613 -14.832 -4.010 11.728 902 HG3 GLN 613 HG3 GLN 613 -16.360 -3.312 12.262 903 HE21 GLN 613 HE21 GLN 613 -14.738 -6.152 11.188 904 HE22 GLN 613 HE22 GLN 613 -16.045 -7.247 11.423 905 H ASP 614 HN ASP 614 -14.445 -2.340 7.637 906 HA ASP 614 HA ASP 614 -16.591 -1.624 5.934 907 HB2 ASP 614 HB2 ASP 614 -14.787 -0.066 6.422 908 HB3 ASP 614 HB3 ASP 614 -13.615 -1.142 5.673 909 H ILE 615 HN ILE 615 -13.713 -3.629 5.440 910 HA ILE 615 HA ILE 615 -14.193 -4.344 2.765 911 HB ILE 615 HB ILE 615 -12.768 -5.893 4.933 912 HG12 ILE 615 HG12 ILE 615 -11.663 -4.114 2.750 913 HG13 ILE 615 HG13 ILE 615 -11.883 -3.622 4.429 914 HG21 ILE 615 HG21 ILE 615 -13.406 -7.359 3.095 915 HG22 ILE 615 HG22 ILE 615 -11.661 -7.098 3.116 916 HG23 ILE 615 HG23 ILE 615 -12.665 -6.250 1.941 917 HD11 ILE 615 HD11 ILE 615 -10.337 -5.423 5.102 918 HD12 ILE 615 HD12 ILE 615 -9.601 -4.201 4.068 919 HD13 ILE 615 HD13 ILE 615 -10.056 -5.767 3.397 920 H HIS 616 HN HIS 616 -15.116 -5.925 5.803 921 HA HIS 616 HA HIS 616 -16.347 -8.169 4.608 922 HB2 HIS 616 HB2 HIS 616 -16.538 -6.918 7.329 923 HB3 HIS 616 HB3 HIS 616 -17.586 -8.258 6.884 924 HD1 HIS 616 HD1 HIS 616 -16.683 -10.488 7.418 925 HD2 HIS 616 HD2 HIS 616 -13.664 -7.674 6.924 926 HE1 HIS 616 HE1 HIS 616 -14.539 -11.694 7.952 927 HE2 HIS 616 HE2 HIS 616 -12.722 -10.024 7.440 928 H SER 617 HN SER 617 -17.512 -4.966 5.383 929 HA SER 617 HA SER 617 -20.263 -5.538 5.008 930 HB2 SER 617 HB2 SER 617 -19.402 -3.582 6.298 931 HB3 SER 617 HB3 SER 617 -18.841 -2.873 4.785 932 HG SER 617 HG SER 617 -20.775 -2.115 4.561 933 H GLN 618 HN GLN 618 -17.647 -4.478 2.917 934 HA GLN 618 HA GLN 618 -19.472 -4.134 0.671 935 HB2 GLN 618 HB2 GLN 618 -16.483 -3.714 0.843 936 HB3 GLN 618 HB3 GLN 618 -17.500 -3.293 -0.528 937 HG2 GLN 618 HG2 GLN 618 -17.669 -2.107 2.234 938 HG3 GLN 618 HG3 GLN 618 -16.973 -1.338 0.811 939 HE21 GLN 618 HE21 GLN 618 -18.336 -0.625 -0.837 940 HE22 GLN 618 HE22 GLN 618 -20.033 -0.390 -0.581 941 H ARG 619 HN ARG 619 -17.902 -6.622 2.082 942 HA ARG 619 HA ARG 619 -17.503 -8.773 1.533 943 HB2 ARG 619 HB2 ARG 619 -19.084 -8.074 -0.938 944 HB3 ARG 619 HB3 ARG 619 -18.645 -9.706 -0.454 945 HG2 ARG 619 HG2 ARG 619 -19.938 -9.408 1.620 946 HG3 ARG 619 HG3 ARG 619 -20.422 -7.806 1.057 947 HD2 ARG 619 HD2 ARG 619 -22.153 -9.455 0.594 948 HD3 ARG 619 HD3 ARG 619 -21.479 -8.809 -0.900 949 HE ARG 619 HE ARG 619 -20.021 -11.066 -0.408 950 HH11 ARG 619 HH11 ARG 619 -23.418 -10.349 -0.822 951 HH12 ARG 619 HH12 ARG 619 -23.803 -11.922 -1.443 952 HH21 ARG 619 HH21 ARG 619 -20.510 -13.121 -1.226 953 HH22 ARG 619 HH22 ARG 619 -22.141 -13.503 -1.680 954 H GLU 620 HN GLU 620 -15.506 -6.891 0.924 955 HA GLU 620 HA GLU 620 -13.458 -6.790 -0.030 956 HB2 GLU 620 HB2 GLU 620 -14.203 -9.518 -1.063 957 HB3 GLU 620 HB3 GLU 620 -12.625 -8.786 -1.309 958 HG2 GLU 620 HG2 GLU 620 -12.308 -8.683 1.118 959 HG3 GLU 620 HG3 GLU 620 -13.881 -9.449 1.342 960 H ARG 621 HN ARG 621 -12.466 -6.014 -1.819 961 HA ARG 621 HA ARG 621 -12.165 -5.126 -3.871 962 HB2 ARG 621 HB2 ARG 621 -12.239 -7.538 -4.470 963 HB3 ARG 621 HB3 ARG 621 -13.951 -7.368 -4.812 964 HG2 ARG 621 HG2 ARG 621 -13.448 -5.770 -6.585 965 HG3 ARG 621 HG3 ARG 621 -11.726 -5.921 -6.231 966 HD2 ARG 621 HD2 ARG 621 -13.572 -8.087 -7.227 967 HD3 ARG 621 HD3 ARG 621 -12.274 -7.305 -8.128 968 HE ARG 621 HE ARG 621 -11.377 -8.583 -5.717 969 HH11 ARG 621 HH11 ARG 621 -12.081 -9.051 -9.113 970 HH12 ARG 621 HH12 ARG 621 -11.091 -10.470 -9.250 971 HH21 ARG 621 HH21 ARG 621 -10.081 -10.451 -5.891 972 HH22 ARG 621 HH22 ARG 621 -9.959 -11.266 -7.419 Start of MODEL 21 1 HO5' ADN 1 H5T ADE 1 9.009 -2.007 -14.018 2 H5'1 ADN 1 H5' ADE 1 10.807 -1.175 -12.515 3 H5'2 ADN 1 H5'' ADE 1 9.441 -0.249 -11.875 4 H4' ADN 1 H4' ADE 1 10.954 0.601 -13.873 5 H3' ADN 1 H3' ADE 1 8.671 1.599 -12.806 6 H2' ADN 1 H2' ADE 1 7.124 0.394 -14.211 7 HO2' ADN 1 HO2' ADE 1 6.461 1.836 -15.806 8 H1' ADN 1 H1' ADE 1 9.062 0.838 -16.555 9 H8 ADN 1 H8 ADE 1 8.237 -2.619 -15.526 10 HN61 ADN 1 H61 ADE 1 4.904 -3.702 -18.884 11 HN62 ADN 1 H62 ADE 1 4.022 -2.745 -20.054 12 H2 ADN 1 H2 ADE 1 5.411 1.493 -19.559 13 H5' U 2 H5' URI 2 8.880 6.225 -12.798 14 H5'' U 2 H5'' URI 2 9.987 5.766 -11.491 15 H4' U 2 H4' URI 2 7.792 6.838 -10.852 16 H3' U 2 H3' URI 2 9.287 5.105 -9.368 17 H2' U 2 H2' URI 2 8.027 3.112 -9.864 18 HO2' U 2 HO2' URI 2 6.755 4.527 -7.756 19 H1' U 2 H1' URI 2 5.495 4.860 -9.812 20 H3 U 2 H3 URI 2 2.598 2.000 -11.559 21 H5 U 2 H5 URI 2 6.272 0.127 -12.326 22 H6 U 2 H6 URI 2 7.362 2.044 -11.366 23 H5' C 3 H5' CYT 3 6.557 8.133 -6.598 24 H5'' C 3 H5'' CYT 3 7.648 9.424 -6.062 25 H4' C 3 H4' CYT 3 6.516 8.359 -4.198 26 H3' C 3 H3' CYT 3 9.120 9.044 -4.130 27 H2' C 3 H2' CYT 3 10.071 6.912 -4.665 28 HO2' C 3 HO2' CYT 3 9.709 7.263 -1.929 29 H1' C 3 H1' CYT 3 7.933 5.525 -2.965 30 H41 C 3 H41 CYT 3 10.350 1.295 -7.458 31 H42 C 3 H42 CYT 3 10.084 0.399 -5.979 32 H5 C 3 H5 CYT 3 9.901 3.666 -7.657 33 H6 C 3 H6 CYT 3 9.132 5.655 -6.478 34 H5' U 4 H5' URI 4 6.424 11.676 -1.743 35 H5'' U 4 H5'' URI 4 7.495 12.300 -0.476 36 H4' U 4 H4' URI 4 4.738 11.520 -0.346 37 H3' U 4 H3' URI 4 6.126 13.557 0.777 38 H2' U 4 H2' URI 4 7.303 12.207 2.419 39 HO2' U 4 HO2' URI 4 4.782 13.045 3.417 40 H1' U 4 H1' URI 4 4.654 10.672 2.762 41 H3 U 4 H3 URI 4 6.918 8.923 6.353 42 H5 U 4 H5 URI 4 8.705 7.303 2.919 43 H6 U 4 H6 URI 4 7.462 8.900 1.613 44 H5' U 5 H5' URI 5 3.014 13.000 -0.387 45 H5'' U 5 H5'' URI 5 2.102 14.167 -1.361 46 H4' U 5 H4' URI 5 0.480 12.675 -0.847 47 H3' U 5 H3' URI 5 0.071 15.068 0.393 48 H2' U 5 H2' URI 5 0.770 14.385 2.593 49 HO2' U 5 HO2' URI 5 -1.488 14.885 2.753 50 H1' U 5 H1' URI 5 -0.534 11.666 2.013 51 H3 U 5 H3 URI 5 0.373 10.244 6.144 52 H5 U 5 H5 URI 5 3.980 12.033 4.950 53 H6 U 5 H6 URI 5 2.885 12.703 2.915 54 H5' A 6 H5' ADE 6 -5.724 14.252 1.514 55 H5'' A 6 H5'' ADE 6 -4.956 15.769 1.007 56 H4' A 6 H4' ADE 6 -4.892 14.392 3.662 57 H3' A 6 H3' ADE 6 -6.458 16.444 3.008 58 HO3' A 6 H3T ADE 6 -6.363 15.508 5.022 59 H2' A 6 H2' ADE 6 -4.704 17.908 2.195 60 HO2' A 6 HO2' ADE 6 -4.227 18.769 4.754 61 H1' A 6 H1' ADE 6 -3.032 17.134 4.655 62 H8 A 6 H8 ADE 6 -3.192 19.121 1.569 63 H61 A 6 H61 ADE 6 1.531 19.573 0.542 64 H62 A 6 H62 ADE 6 2.974 18.803 1.162 65 H2 A 6 H2 ADE 6 1.637 15.890 4.295 66 H1 GLY 510 HT1 GLY 510 22.320 -14.897 -0.588 67 H2 GLY 510 HT2 GLY 510 20.852 -15.130 0.215 68 H3 GLY 510 HT3 GLY 510 22.034 -14.130 0.889 69 HA2 GLY 510 HA3 GLY 510 21.807 -12.567 -0.922 70 HA3 GLY 510 HA2 GLY 510 20.595 -13.612 -1.649 71 H ALA 511 HN ALA 511 20.277 -10.866 -0.845 72 HA ALA 511 HA ALA 511 18.565 -11.031 1.518 73 HB1 ALA 511 HB1 ALA 511 20.202 -9.206 1.402 74 HB2 ALA 511 HB2 ALA 511 18.547 -8.602 1.458 75 HB3 ALA 511 HB3 ALA 511 19.430 -8.617 -0.069 76 H MET 512 HN MET 512 16.661 -11.897 0.934 77 HA MET 512 HA MET 512 15.361 -11.144 -1.540 78 HB2 MET 512 HB2 MET 512 13.664 -12.752 -0.953 79 HB3 MET 512 HB3 MET 512 15.236 -13.472 -0.655 80 HG2 MET 512 HG2 MET 512 13.474 -12.255 1.461 81 HG3 MET 512 HG3 MET 512 13.568 -13.974 1.090 82 HE1 MET 512 HE1 MET 512 16.638 -14.494 0.592 83 HE2 MET 512 HE2 MET 512 15.618 -15.503 1.617 84 HE3 MET 512 HE3 MET 512 17.168 -14.915 2.219 85 H ALA 513 HN ALA 513 13.353 -10.086 -1.677 86 HA ALA 513 HA ALA 513 11.825 -8.474 -1.201 87 HB1 ALA 513 HB1 ALA 513 11.004 -10.152 0.382 88 HB2 ALA 513 HB2 ALA 513 10.781 -8.517 1.006 89 HB3 ALA 513 HB3 ALA 513 12.094 -9.521 1.618 90 H GLN 514 HN GLN 514 14.560 -7.728 -1.258 91 HA GLN 514 HA GLN 514 16.007 -6.053 -0.765 92 HB2 GLN 514 HB2 GLN 514 13.664 -4.800 0.690 93 HB3 GLN 514 HB3 GLN 514 15.167 -3.987 0.288 94 HG2 GLN 514 HG2 GLN 514 13.221 -5.112 -1.712 95 HG3 GLN 514 HG3 GLN 514 13.310 -3.422 -1.225 96 HE21 GLN 514 HE21 GLN 514 16.220 -3.415 -1.082 97 HE22 GLN 514 HE22 GLN 514 16.776 -3.422 -2.714 98 H ARG 515 HN ARG 515 14.047 -5.872 2.161 99 HA ARG 515 HA ARG 515 15.844 -7.481 3.724 100 HB2 ARG 515 HB2 ARG 515 15.663 -4.501 4.151 101 HB3 ARG 515 HB3 ARG 515 16.043 -5.592 5.473 102 HG2 ARG 515 HG2 ARG 515 17.970 -6.421 4.072 103 HG3 ARG 515 HG3 ARG 515 17.646 -5.061 2.994 104 HD2 ARG 515 HD2 ARG 515 19.390 -4.521 4.626 105 HD3 ARG 515 HD3 ARG 515 17.965 -3.503 4.834 106 HE ARG 515 HE ARG 515 17.902 -5.830 6.500 107 HH11 ARG 515 HH11 ARG 515 19.220 -2.605 6.228 108 HH12 ARG 515 HH12 ARG 515 19.356 -2.373 7.942 109 HH21 ARG 515 HH21 ARG 515 18.085 -5.543 8.760 110 HH22 ARG 515 HH22 ARG 515 18.722 -4.058 9.388 111 H LYS 516 HN LYS 516 13.603 -4.814 4.389 112 HA LYS 516 HA LYS 516 11.694 -4.657 5.585 113 HB2 LYS 516 HB2 LYS 516 11.113 -7.445 4.574 114 HB3 LYS 516 HB3 LYS 516 9.944 -6.238 5.087 115 HG2 LYS 516 HG2 LYS 516 11.673 -6.191 2.628 116 HG3 LYS 516 HG3 LYS 516 9.917 -6.308 2.714 117 HD2 LYS 516 HD2 LYS 516 9.721 -4.053 3.454 118 HD3 LYS 516 HD3 LYS 516 11.460 -3.925 3.726 119 HE2 LYS 516 HE2 LYS 516 11.800 -4.274 1.283 120 HE3 LYS 516 HE3 LYS 516 10.052 -4.214 1.078 121 HZ1 LYS 516 HZ1 LYS 516 10.010 -1.967 1.797 122 HZ2 LYS 516 HZ2 LYS 516 11.237 -2.080 0.634 123 HZ3 LYS 516 HZ3 LYS 516 11.633 -2.006 2.279 124 H GLY 517 HN GLY 517 13.801 -5.264 7.085 125 HA2 GLY 517 HA2 GLY 517 12.575 -6.893 9.214 126 HA3 GLY 517 HA3 GLY 517 14.297 -7.017 8.854 127 H ALA 518 HN ALA 518 12.463 -5.873 11.136 128 HA ALA 518 HA ALA 518 12.346 -4.080 12.535 129 HB1 ALA 518 HB1 ALA 518 14.708 -4.601 12.911 130 HB2 ALA 518 HB2 ALA 518 14.427 -2.862 12.987 131 HB3 ALA 518 HB3 ALA 518 15.158 -3.575 11.549 132 H GLY 519 HN GLY 519 11.281 -3.815 9.967 133 HA2 GLY 519 HA2 GLY 519 10.423 -1.331 9.606 134 HA3 GLY 519 HA3 GLY 519 12.053 -1.204 8.934 135 H ARG 520 HN ARG 520 8.848 -1.920 8.204 136 HA ARG 520 HA ARG 520 9.747 -3.169 5.684 137 HB2 ARG 520 HB2 ARG 520 7.044 -3.495 6.994 138 HB3 ARG 520 HB3 ARG 520 7.609 -4.304 5.541 139 HG2 ARG 520 HG2 ARG 520 9.110 -5.651 6.754 140 HG3 ARG 520 HG3 ARG 520 8.944 -4.659 8.205 141 HD2 ARG 520 HD2 ARG 520 6.791 -6.357 6.953 142 HD3 ARG 520 HD3 ARG 520 7.696 -6.745 8.416 143 HE ARG 520 HE ARG 520 5.789 -4.496 8.142 144 HH11 ARG 520 HH11 ARG 520 7.482 -6.872 10.097 145 HH12 ARG 520 HH12 ARG 520 6.659 -6.438 11.557 146 HH21 ARG 520 HH21 ARG 520 4.735 -3.905 10.060 147 HH22 ARG 520 HH22 ARG 520 5.083 -4.754 11.538 148 H VAL 521 HN VAL 521 9.310 -2.072 3.910 149 HA VAL 521 HA VAL 521 7.019 -0.235 3.918 150 HB VAL 521 HB VAL 521 9.492 0.072 2.220 151 HG11 VAL 521 HG11 VAL 521 7.658 0.801 0.938 152 HG12 VAL 521 HG12 VAL 521 8.372 2.259 1.631 153 HG13 VAL 521 HG13 VAL 521 6.902 1.575 2.326 154 HG21 VAL 521 HG21 VAL 521 9.838 0.693 4.565 155 HG22 VAL 521 HG22 VAL 521 8.453 1.779 4.468 156 HG23 VAL 521 HG23 VAL 521 9.888 2.091 3.494 157 H VAL 522 HN VAL 522 5.405 -0.824 2.643 158 HA VAL 522 HA VAL 522 6.035 -2.414 0.237 159 HB VAL 522 HB VAL 522 3.398 -2.403 1.716 160 HG11 VAL 522 HG11 VAL 522 2.955 -4.430 0.380 161 HG12 VAL 522 HG12 VAL 522 4.479 -4.172 -0.471 162 HG13 VAL 522 HG13 VAL 522 3.177 -2.987 -0.613 163 HG21 VAL 522 HG21 VAL 522 5.088 -3.373 3.162 164 HG22 VAL 522 HG22 VAL 522 5.607 -4.449 1.866 165 HG23 VAL 522 HG23 VAL 522 3.997 -4.624 2.565 166 H HIS 523 HN HIS 523 5.622 -1.269 -1.647 167 HA HIS 523 HA HIS 523 4.203 1.264 -1.291 168 HB2 HIS 523 HB2 HIS 523 6.511 1.544 -1.898 169 HB3 HIS 523 HB3 HIS 523 6.375 0.359 -3.187 170 HD1 HIS 523 HD1 HIS 523 5.659 1.180 -5.446 171 HD2 HIS 523 HD2 HIS 523 5.311 4.085 -2.495 172 HE1 HIS 523 HE1 HIS 523 5.262 3.335 -6.669 173 HE2 HIS 523 HE2 HIS 523 5.313 5.102 -4.880 174 H ILE 524 HN ILE 524 2.419 1.652 -2.385 175 HA ILE 524 HA ILE 524 1.600 -0.260 -4.472 176 HB ILE 524 HB ILE 524 -0.172 1.493 -2.751 177 HG12 ILE 524 HG12 ILE 524 0.503 -1.450 -2.537 178 HG13 ILE 524 HG13 ILE 524 0.938 -0.193 -1.389 179 HG21 ILE 524 HG21 ILE 524 -1.974 -0.002 -3.612 180 HG22 ILE 524 HG22 ILE 524 -0.795 -0.698 -4.726 181 HG23 ILE 524 HG23 ILE 524 -1.225 1.007 -4.850 182 HD11 ILE 524 HD11 ILE 524 -0.912 -1.564 -0.602 183 HD12 ILE 524 HD12 ILE 524 -1.865 -1.085 -2.011 184 HD13 ILE 524 HD13 ILE 524 -1.390 0.122 -0.816 185 H CYS 525 HN CYS 525 0.891 0.592 -6.441 186 HA CYS 525 HA CYS 525 1.007 3.495 -6.721 187 HB2 CYS 525 HB2 CYS 525 2.433 3.127 -8.820 188 HB3 CYS 525 HB3 CYS 525 3.230 2.999 -7.257 189 HG CYS 525 HG CYS 525 2.463 0.009 -7.621 190 H ASN 526 HN ASN 526 0.261 4.278 -8.749 191 HA ASN 526 HA ASN 526 -0.928 4.309 -10.706 192 HB2 ASN 526 HB2 ASN 526 -1.491 1.388 -10.186 193 HB3 ASN 526 HB3 ASN 526 -2.188 2.289 -11.526 194 HD21 ASN 526 HD21 ASN 526 -0.478 -0.015 -11.623 195 HD22 ASN 526 HD22 ASN 526 0.940 0.454 -12.500 196 H LEU 527 HN LEU 527 -1.717 4.903 -8.010 197 HA LEU 527 HA LEU 527 -4.566 4.361 -7.918 198 HB2 LEU 527 HB2 LEU 527 -2.760 6.050 -6.182 199 HB3 LEU 527 HB1 LEU 527 -4.478 5.855 -5.904 200 HG LEU 527 HG LEU 527 -2.509 3.566 -5.885 201 HD11 LEU 527 HD11 LEU 527 -3.653 5.146 -3.583 202 HD12 LEU 527 HD12 LEU 527 -1.964 5.105 -4.087 203 HD13 LEU 527 HD13 LEU 527 -2.724 3.653 -3.434 204 HD21 LEU 527 HD21 LEU 527 -4.331 2.377 -4.776 205 HD22 LEU 527 HD22 LEU 527 -4.821 2.948 -6.371 206 HD23 LEU 527 HD23 LEU 527 -5.358 3.803 -4.925 207 HA PRO 528 HA PRO 528 -5.173 7.966 -10.487 208 HB2 PRO 528 HB2 PRO 528 -8.025 7.742 -10.010 209 HB3 PRO 528 HB1 PRO 528 -7.126 7.425 -11.494 210 HG2 PRO 528 HG2 PRO 528 -8.342 5.480 -10.008 211 HG3 PRO 528 HG3 PRO 528 -6.940 5.194 -11.050 212 HD2 PRO 528 HD2 PRO 528 -7.069 5.506 -8.084 213 HD3 PRO 528 HD3 PRO 528 -6.039 4.445 -9.070 214 H GLU 529 HN GLU 529 -5.157 10.051 -9.979 215 HA GLU 529 HA GLU 529 -5.589 11.001 -7.364 216 HB2 GLU 529 HB2 GLU 529 -4.069 12.059 -8.988 217 HB3 GLU 529 HB3 GLU 529 -5.454 12.530 -9.965 218 HG2 GLU 529 HG2 GLU 529 -6.266 13.862 -8.012 219 HG3 GLU 529 HG3 GLU 529 -4.730 13.513 -7.220 220 H GLY 530 HN GLY 530 -7.339 12.091 -6.443 221 HA2 GLY 530 HA2 GLY 530 -9.537 12.842 -6.311 222 HA3 GLY 530 HA3 GLY 530 -9.728 12.509 -8.030 223 H SER 531 HN SER 531 -8.305 9.902 -6.529 224 HA SER 531 HA SER 531 -10.760 8.566 -5.801 225 HB2 SER 531 HB2 SER 531 -9.093 7.639 -8.154 226 HB3 SER 531 HB3 SER 531 -10.458 6.761 -7.456 227 HG SER 531 HG SER 531 -11.293 9.216 -7.952 228 H CYS 532 HN CYS 532 -7.805 9.301 -5.032 229 HA CYS 532 HA CYS 532 -6.819 6.662 -4.268 230 HB2 CYS 532 HB2 CYS 532 -5.642 9.403 -3.750 231 HB3 CYS 532 HB3 CYS 532 -4.852 7.870 -3.416 232 HG CYS 532 HG CYS 532 -5.782 8.334 -6.611 233 H THR 533 HN THR 533 -8.369 6.044 -2.721 234 HA THR 533 HA THR 533 -8.720 7.876 -0.450 235 HB THR 533 HB THR 533 -10.653 6.506 0.162 236 HG1 THR 533 HG1 THR 533 -11.096 4.921 -1.831 237 HG21 THR 533 HG21 THR 533 -10.694 7.194 -2.781 238 HG22 THR 533 HG22 THR 533 -11.022 8.313 -1.459 239 HG23 THR 533 HG23 THR 533 -12.108 6.957 -1.756 240 H GLU 534 HN GLU 534 -8.402 7.078 1.660 241 HA GLU 534 HA GLU 534 -6.274 5.244 1.954 242 HB2 GLU 534 HB2 GLU 534 -8.163 6.289 4.061 243 HB3 GLU 534 HB3 GLU 534 -6.649 5.458 4.364 244 HG2 GLU 534 HG2 GLU 534 -6.160 7.735 4.657 245 HG3 GLU 534 HG3 GLU 534 -5.513 7.341 3.055 246 H ASN 535 HN ASN 535 -9.694 5.024 2.024 247 HA ASN 535 HA ASN 535 -9.977 2.590 3.406 248 HB2 ASN 535 HB2 ASN 535 -11.811 4.231 2.940 249 HB3 ASN 535 HB3 ASN 535 -11.797 3.701 1.263 250 HD21 ASN 535 HD21 ASN 535 -13.854 2.916 1.271 251 HD22 ASN 535 HD22 ASN 535 -14.343 1.518 2.175 252 H ASP 536 HN ASP 536 -9.684 3.277 -0.116 253 HA ASP 536 HA ASP 536 -10.231 0.554 -0.826 254 HB2 ASP 536 HB2 ASP 536 -9.294 2.952 -2.367 255 HB3 ASP 536 HB3 ASP 536 -9.272 1.354 -3.105 256 H VAL 537 HN VAL 537 -7.359 2.503 -0.587 257 HA VAL 537 HA VAL 537 -5.486 0.664 -1.603 258 HB VAL 537 HB VAL 537 -4.968 2.745 0.548 259 HG11 VAL 537 HG11 VAL 537 -3.125 1.135 0.189 260 HG12 VAL 537 HG12 VAL 537 -2.696 2.781 -0.287 261 HG13 VAL 537 HG13 VAL 537 -3.102 1.584 -1.518 262 HG21 VAL 537 HG21 VAL 537 -4.935 3.012 -2.456 263 HG22 VAL 537 HG22 VAL 537 -4.407 4.244 -1.312 264 HG23 VAL 537 HG23 VAL 537 -6.097 3.748 -1.352 265 H ILE 538 HN ILE 538 -6.510 1.310 1.717 266 HA ILE 538 HA ILE 538 -5.080 -0.842 2.864 267 HB ILE 538 HB ILE 538 -7.438 0.717 3.906 268 HG12 ILE 538 HG12 ILE 538 -4.487 0.810 4.559 269 HG13 ILE 538 HG13 ILE 538 -5.366 2.004 3.608 270 HG21 ILE 538 HG21 ILE 538 -7.504 -1.372 5.019 271 HG22 ILE 538 HG22 ILE 538 -6.692 -0.253 6.116 272 HG23 ILE 538 HG23 ILE 538 -5.751 -1.416 5.182 273 HD11 ILE 538 HD11 ILE 538 -4.968 2.697 5.937 274 HD12 ILE 538 HD12 ILE 538 -5.957 1.337 6.480 275 HD13 ILE 538 HD13 ILE 538 -6.679 2.627 5.514 276 H ASN 539 HN ASN 539 -8.326 -0.573 1.470 277 HA ASN 539 HA ASN 539 -9.387 -2.994 2.323 278 HB2 ASN 539 HB2 ASN 539 -9.768 -1.594 -0.328 279 HB3 ASN 539 HB3 ASN 539 -10.652 -3.040 0.123 280 HD21 ASN 539 HD21 ASN 539 -10.784 -2.036 2.962 281 HD22 ASN 539 HD22 ASN 539 -12.020 -0.843 2.935 282 H LEU 540 HN LEU 540 -6.976 -2.340 -0.123 283 HA LEU 540 HA LEU 540 -6.951 -5.024 -1.123 284 HB2 LEU 540 HB2 LEU 540 -4.856 -2.856 -1.241 285 HB3 LEU 540 HB1 LEU 540 -4.804 -4.357 -2.142 286 HG LEU 540 HG LEU 540 -6.794 -2.120 -2.480 287 HD11 LEU 540 HD11 LEU 540 -4.598 -1.677 -3.423 288 HD12 LEU 540 HD12 LEU 540 -5.793 -1.931 -4.692 289 HD13 LEU 540 HD13 LEU 540 -4.650 -3.211 -4.291 290 HD21 LEU 540 HD21 LEU 540 -7.934 -4.230 -2.792 291 HD22 LEU 540 HD22 LEU 540 -6.646 -4.802 -3.851 292 HD23 LEU 540 HD23 LEU 540 -7.672 -3.460 -4.356 293 H GLY 541 HN GLY 541 -5.025 -3.165 1.212 294 HA2 GLY 541 HA2 GLY 541 -3.186 -5.168 1.846 295 HA3 GLY 541 HA3 GLY 541 -3.621 -3.818 2.883 296 H LEU 542 HN LEU 542 -6.188 -4.395 3.614 297 HA LEU 542 HA LEU 542 -5.563 -5.896 5.856 298 HB2 LEU 542 HB2 LEU 542 -8.159 -4.954 4.744 299 HB3 LEU 542 HB1 LEU 542 -8.110 -5.920 6.205 300 HG LEU 542 HG LEU 542 -6.594 -3.337 5.873 301 HD11 LEU 542 HD11 LEU 542 -8.966 -2.885 5.707 302 HD12 LEU 542 HD12 LEU 542 -8.352 -2.346 7.270 303 HD13 LEU 542 HD13 LEU 542 -9.272 -3.845 7.151 304 HD21 LEU 542 HD21 LEU 542 -5.722 -4.906 7.550 305 HD22 LEU 542 HD22 LEU 542 -7.308 -4.954 8.315 306 HD23 LEU 542 HD23 LEU 542 -6.387 -3.452 8.286 307 HA PRO 543 HA PRO 543 -8.389 -9.515 4.175 308 HB2 PRO 543 HB2 PRO 543 -7.625 -9.333 1.299 309 HB3 PRO 543 HB1 PRO 543 -9.162 -9.807 2.031 310 HG2 PRO 543 HG2 PRO 543 -8.961 -7.419 0.956 311 HG3 PRO 543 HG3 PRO 543 -9.742 -7.586 2.549 312 HD2 PRO 543 HD2 PRO 543 -6.929 -6.724 1.907 313 HD3 PRO 543 HD3 PRO 543 -8.103 -5.974 3.008 314 H PHE 544 HN PHE 544 -5.156 -8.760 2.929 315 HA PHE 544 HA PHE 544 -4.481 -11.611 3.118 316 HB2 PHE 544 HB2 PHE 544 -2.908 -9.292 1.995 317 HB3 PHE 544 HB3 PHE 544 -2.333 -10.953 2.052 318 HD1 PHE 544 HD1 PHE 544 -3.490 -12.683 0.707 319 HD2 PHE 544 HD2 PHE 544 -4.356 -8.538 0.300 320 HE1 PHE 544 HE1 PHE 544 -4.534 -13.121 -1.472 321 HE2 PHE 544 HE2 PHE 544 -5.398 -8.967 -1.888 322 HZ PHE 544 HZ PHE 544 -5.495 -11.229 -2.779 323 H GLY 545 HN GLY 545 -4.228 -8.690 4.851 324 HA2 GLY 545 HA2 GLY 545 -3.014 -9.897 7.085 325 HA3 GLY 545 HA3 GLY 545 -1.786 -9.022 6.183 326 H LYS 546 HN LYS 546 -2.755 -8.469 8.855 327 HA LYS 546 HA LYS 546 -4.587 -6.322 8.823 328 HB2 LYS 546 HB2 LYS 546 -4.113 -7.645 10.842 329 HB3 LYS 546 HB3 LYS 546 -2.481 -6.992 10.884 330 HG2 LYS 546 HG2 LYS 546 -3.369 -4.755 11.245 331 HG3 LYS 546 HG3 LYS 546 -5.015 -5.386 11.160 332 HD2 LYS 546 HD2 LYS 546 -4.558 -6.796 13.119 333 HD3 LYS 546 HD3 LYS 546 -2.930 -6.122 13.215 334 HE2 LYS 546 HE2 LYS 546 -3.861 -3.900 13.583 335 HE3 LYS 546 HE3 LYS 546 -5.494 -4.549 13.440 336 HZ1 LYS 546 HZ1 LYS 546 -3.517 -5.239 15.548 337 HZ2 LYS 546 HZ2 LYS 546 -5.052 -5.928 15.392 338 HZ3 LYS 546 HZ3 LYS 546 -4.899 -4.284 15.743 339 H VAL 547 HN VAL 547 -4.339 -4.258 8.389 340 HA VAL 547 HA VAL 547 -1.752 -3.238 7.581 341 HB VAL 547 HB VAL 547 -4.527 -2.045 7.521 342 HG11 VAL 547 HG11 VAL 547 -2.030 -0.875 6.302 343 HG12 VAL 547 HG12 VAL 547 -2.769 -0.301 7.798 344 HG13 VAL 547 HG13 VAL 547 -3.659 -0.190 6.278 345 HG21 VAL 547 HG21 VAL 547 -2.728 -3.209 5.419 346 HG22 VAL 547 HG22 VAL 547 -4.165 -2.261 5.051 347 HG23 VAL 547 HG23 VAL 547 -4.316 -3.781 5.929 348 H THR 548 HN THR 548 -0.436 -2.453 9.085 349 HA THR 548 HA THR 548 -1.522 -1.403 11.562 350 HB THR 548 HB THR 548 0.925 -1.252 12.191 351 HG1 THR 548 HG1 THR 548 2.169 -2.728 10.631 352 HG21 THR 548 HG21 THR 548 -0.113 -3.941 11.283 353 HG22 THR 548 HG22 THR 548 -0.451 -3.170 12.834 354 HG23 THR 548 HG23 THR 548 1.191 -3.680 12.442 355 H ASN 549 HN ASN 549 0.283 -0.305 8.769 356 HA ASN 549 HA ASN 549 -0.452 2.442 9.431 357 HB2 ASN 549 HB2 ASN 549 2.406 1.673 8.782 358 HB3 ASN 549 HB3 ASN 549 1.807 3.312 8.999 359 HD21 ASN 549 HD21 ASN 549 1.114 3.948 11.111 360 HD22 ASN 549 HD22 ASN 549 1.726 3.151 12.515 361 H TYR 550 HN TYR 550 -0.292 3.891 7.630 362 HA TYR 550 HA TYR 550 0.222 2.819 5.000 363 HB2 TYR 550 HB2 TYR 550 -2.076 3.273 4.183 364 HB3 TYR 550 HB3 TYR 550 -2.046 1.994 5.393 365 HD1 TYR 550 HD1 TYR 550 -3.714 4.871 4.372 366 HD2 TYR 550 HD2 TYR 550 -2.403 2.895 7.899 367 HE1 TYR 550 HE1 TYR 550 -5.374 6.110 5.694 368 HE2 TYR 550 HE2 TYR 550 -4.071 4.121 9.219 369 HH TYR 550 HH TYR 550 -6.611 5.851 7.798 370 H ILE 551 HN ILE 551 0.303 4.479 3.389 371 HA ILE 551 HA ILE 551 -0.053 7.248 4.274 372 HB ILE 551 HB ILE 551 2.480 6.277 2.940 373 HG12 ILE 551 HG12 ILE 551 2.151 7.174 5.815 374 HG13 ILE 551 HG13 ILE 551 2.347 5.500 5.308 375 HG21 ILE 551 HG21 ILE 551 3.305 8.543 3.418 376 HG22 ILE 551 HG22 ILE 551 1.728 8.962 4.085 377 HG23 ILE 551 HG23 ILE 551 1.881 8.552 2.377 378 HD11 ILE 551 HD11 ILE 551 4.428 6.434 6.139 379 HD12 ILE 551 HD12 ILE 551 4.358 7.704 4.918 380 HD13 ILE 551 HD13 ILE 551 4.556 6.021 4.430 381 H LEU 552 HN LEU 552 -1.075 8.329 2.559 382 HA LEU 552 HA LEU 552 -0.859 6.944 -0.023 383 HB2 LEU 552 HB2 LEU 552 -3.093 8.722 0.928 384 HB3 LEU 552 HB1 LEU 552 -2.979 7.981 -0.656 385 HG LEU 552 HG LEU 552 -3.525 6.686 1.988 386 HD11 LEU 552 HD11 LEU 552 -4.924 7.038 -0.621 387 HD12 LEU 552 HD12 LEU 552 -5.480 7.425 1.009 388 HD13 LEU 552 HD13 LEU 552 -5.374 5.745 0.483 389 HD21 LEU 552 HD21 LEU 552 -3.446 4.517 0.845 390 HD22 LEU 552 HD22 LEU 552 -1.861 5.284 0.923 391 HD23 LEU 552 HD23 LEU 552 -2.777 5.304 -0.585 392 H MET 553 HN MET 553 -0.044 8.082 -1.733 393 HA MET 553 HA MET 553 0.543 10.914 -1.156 394 HB2 MET 553 HB2 MET 553 2.008 9.035 -3.023 395 HB3 MET 553 HB3 MET 553 2.398 10.730 -2.768 396 HG2 MET 553 HG2 MET 553 2.979 10.272 -0.460 397 HG3 MET 553 HG3 MET 553 2.528 8.580 -0.667 398 HE1 MET 553 HE1 MET 553 3.849 6.858 -2.136 399 HE2 MET 553 HE2 MET 553 5.231 7.276 -3.148 400 HE3 MET 553 HE3 MET 553 3.628 7.894 -3.545 401 H LYS 554 HN LYS 554 -1.666 11.230 -1.875 402 HA LYS 554 HA LYS 554 -2.698 10.896 -4.312 403 HB2 LYS 554 HB2 LYS 554 -2.922 13.624 -3.101 404 HB3 LYS 554 HB3 LYS 554 -4.161 12.641 -3.864 405 HG2 LYS 554 HG2 LYS 554 -2.958 12.213 -1.132 406 HG3 LYS 554 HG3 LYS 554 -4.577 12.809 -1.491 407 HD2 LYS 554 HD2 LYS 554 -5.135 10.662 -2.517 408 HD3 LYS 554 HD3 LYS 554 -3.510 10.061 -2.169 409 HE2 LYS 554 HE2 LYS 554 -4.857 9.204 -0.450 410 HE3 LYS 554 HE3 LYS 554 -4.022 10.576 0.270 411 HZ1 LYS 554 HZ1 LYS 554 -6.001 11.900 0.019 412 HZ2 LYS 554 HZ2 LYS 554 -6.388 10.473 0.851 413 HZ3 LYS 554 HZ3 LYS 554 -6.796 10.639 -0.783 414 H SER 555 HN SER 555 0.055 12.920 -3.631 415 HA SER 555 HA SER 555 -0.249 14.670 -5.850 416 HB2 SER 555 HB2 SER 555 2.101 15.297 -5.288 417 HB3 SER 555 HB3 SER 555 1.012 15.362 -3.903 418 HG SER 555 HG SER 555 3.148 14.266 -3.657 419 H THR 556 HN THR 556 1.632 11.708 -5.252 420 HA THR 556 HA THR 556 2.691 11.832 -7.969 421 HB THR 556 HB THR 556 4.153 9.948 -7.216 422 HG1 THR 556 HG1 THR 556 4.013 10.124 -4.630 423 HG21 THR 556 HG21 THR 556 4.951 12.251 -7.101 424 HG22 THR 556 HG22 THR 556 5.563 11.309 -5.740 425 HG23 THR 556 HG23 THR 556 4.224 12.434 -5.506 426 H ASN 557 HN ASN 557 -0.039 10.679 -6.706 427 HA ASN 557 HA ASN 557 -1.541 9.033 -7.182 428 HB2 ASN 557 HB2 ASN 557 0.162 8.804 -9.677 429 HB3 ASN 557 HB3 ASN 557 -1.362 7.958 -9.448 430 HD21 ASN 557 HD21 ASN 557 0.158 11.038 -9.988 431 HD22 ASN 557 HD22 ASN 557 -1.284 11.896 -10.411 432 H GLN 558 HN GLN 558 0.566 8.392 -5.504 433 HA GLN 558 HA GLN 558 0.801 5.503 -5.881 434 HB2 GLN 558 HB2 GLN 558 3.180 7.313 -5.375 435 HB3 GLN 558 HB3 GLN 558 3.222 5.553 -5.336 436 HG2 GLN 558 HG2 GLN 558 2.620 5.477 -7.692 437 HG3 GLN 558 HG3 GLN 558 2.530 7.236 -7.729 438 HE21 GLN 558 HE21 GLN 558 4.091 7.413 -9.300 439 HE22 GLN 558 HE22 GLN 558 5.765 7.110 -8.992 440 H ALA 559 HN ALA 559 1.727 4.491 -3.755 441 HA ALA 559 HA ALA 559 1.274 6.108 -1.413 442 HB1 ALA 559 HB1 ALA 559 -0.996 5.666 -2.062 443 HB2 ALA 559 HB2 ALA 559 -0.599 4.764 -0.590 444 HB3 ALA 559 HB3 ALA 559 -0.662 3.933 -2.153 445 H PHE 560 HN PHE 560 1.417 4.845 0.578 446 HA PHE 560 HA PHE 560 3.138 2.456 0.294 447 HB2 PHE 560 HB2 PHE 560 3.259 4.606 2.417 448 HB3 PHE 560 HB3 PHE 560 4.186 3.116 2.460 449 HD1 PHE 560 HD1 PHE 560 5.812 2.686 0.538 450 HD2 PHE 560 HD2 PHE 560 4.096 6.494 1.357 451 HE1 PHE 560 HE1 PHE 560 7.630 3.771 -0.715 452 HE2 PHE 560 HE2 PHE 560 5.910 7.585 0.104 453 HZ PHE 560 HZ PHE 560 7.681 6.224 -0.933 454 H LEU 561 HN LEU 561 2.774 0.744 1.643 455 HA LEU 561 HA LEU 561 0.507 0.912 3.507 456 HB2 LEU 561 HB2 LEU 561 -0.308 0.045 1.362 457 HB3 LEU 561 HB1 LEU 561 0.934 -1.186 1.372 458 HG LEU 561 HG LEU 561 -0.118 -2.182 3.389 459 HD11 LEU 561 HD11 LEU 561 -2.263 -0.135 2.845 460 HD12 LEU 561 HD12 LEU 561 -1.216 -0.202 4.264 461 HD13 LEU 561 HD13 LEU 561 -2.395 -1.482 3.976 462 HD21 LEU 561 HD21 LEU 561 -2.056 -1.901 1.096 463 HD22 LEU 561 HD22 LEU 561 -1.876 -3.266 2.199 464 HD23 LEU 561 HD23 LEU 561 -0.606 -2.904 1.030 465 H GLU 562 HN GLU 562 1.201 0.269 5.430 466 HA GLU 562 HA GLU 562 3.384 -1.693 5.595 467 HB2 GLU 562 HB2 GLU 562 3.008 0.678 6.952 468 HB3 GLU 562 HB3 GLU 562 2.478 -0.526 8.120 469 HG2 GLU 562 HG2 GLU 562 5.146 -0.508 6.723 470 HG3 GLU 562 HG3 GLU 562 4.846 0.045 8.368 471 H MET 563 HN MET 563 3.175 -3.607 6.630 472 HA MET 563 HA MET 563 0.410 -4.392 7.278 473 HB2 MET 563 HB2 MET 563 2.497 -6.068 5.862 474 HB3 MET 563 HB3 MET 563 0.818 -6.510 6.158 475 HG2 MET 563 HG2 MET 563 0.010 -4.943 4.616 476 HG3 MET 563 HG3 MET 563 1.539 -4.073 4.573 477 HE1 MET 563 HE1 MET 563 1.554 -3.986 1.916 478 HE2 MET 563 HE2 MET 563 -0.031 -4.757 1.954 479 HE3 MET 563 HE3 MET 563 1.236 -5.399 0.909 480 H ALA 564 HN ALA 564 0.385 -6.483 8.657 481 HA ALA 564 HA ALA 564 1.765 -5.802 11.011 482 HB1 ALA 564 HB1 ALA 564 0.335 -8.373 10.372 483 HB2 ALA 564 HB2 ALA 564 -0.399 -6.919 11.042 484 HB3 ALA 564 HB3 ALA 564 0.797 -7.814 11.978 485 H TYR 565 HN TYR 565 2.328 -8.375 8.648 486 HA TYR 565 HA TYR 565 5.020 -8.685 9.768 487 HB2 TYR 565 HB2 TYR 565 3.101 -10.922 9.120 488 HB3 TYR 565 HB3 TYR 565 4.827 -11.163 9.349 489 HD1 TYR 565 HD1 TYR 565 1.635 -10.786 10.963 490 HD2 TYR 565 HD2 TYR 565 5.841 -10.615 11.594 491 HE1 TYR 565 HE1 TYR 565 1.276 -11.015 13.384 492 HE2 TYR 565 HE2 TYR 565 5.492 -10.845 14.017 493 HH TYR 565 HH TYR 565 2.523 -11.788 15.359 494 H THR 566 HN THR 566 6.504 -9.784 8.300 495 HA THR 566 HA THR 566 6.468 -8.558 5.750 496 HB THR 566 HB THR 566 8.563 -9.176 6.970 497 HG1 THR 566 HG1 THR 566 8.176 -10.062 4.291 498 HG21 THR 566 HG21 THR 566 7.865 -11.961 6.035 499 HG22 THR 566 HG22 THR 566 7.985 -11.413 7.709 500 HG23 THR 566 HG23 THR 566 9.425 -11.474 6.694 501 H GLU 567 HN GLU 567 5.419 -11.666 6.888 502 HA GLU 567 HA GLU 567 5.292 -13.106 4.505 503 HB2 GLU 567 HB2 GLU 567 3.562 -14.454 5.635 504 HB3 GLU 567 HB3 GLU 567 4.953 -14.155 6.666 505 HG2 GLU 567 HG2 GLU 567 3.647 -12.262 7.693 506 HG3 GLU 567 HG3 GLU 567 2.248 -12.857 6.798 507 H ALA 568 HN ALA 568 3.223 -10.601 5.761 508 HA ALA 568 HA ALA 568 1.018 -11.144 4.004 509 HB1 ALA 568 HB1 ALA 568 1.647 -8.681 5.630 510 HB2 ALA 568 HB2 ALA 568 0.653 -10.043 6.150 511 HB3 ALA 568 HB3 ALA 568 0.119 -9.020 4.818 512 H ALA 569 HN ALA 569 3.781 -8.956 4.058 513 HA ALA 569 HA ALA 569 3.007 -7.313 1.918 514 HB1 ALA 569 HB1 ALA 569 5.774 -7.968 2.926 515 HB2 ALA 569 HB2 ALA 569 4.727 -6.684 3.531 516 HB3 ALA 569 HB3 ALA 569 5.349 -6.611 1.882 517 H GLN 570 HN GLN 570 5.057 -10.201 2.052 518 HA GLN 570 HA GLN 570 5.733 -10.122 -0.704 519 HB2 GLN 570 HB2 GLN 570 6.511 -12.473 -0.336 520 HB3 GLN 570 HB3 GLN 570 7.196 -11.297 0.777 521 HG2 GLN 570 HG2 GLN 570 5.545 -11.998 2.472 522 HG3 GLN 570 HG3 GLN 570 4.968 -13.235 1.354 523 HE21 GLN 570 HE21 GLN 570 6.268 -15.007 0.909 524 HE22 GLN 570 HE22 GLN 570 7.615 -15.432 1.908 525 H ALA 571 HN ALA 571 3.171 -11.660 1.130 526 HA ALA 571 HA ALA 571 2.191 -13.343 -0.907 527 HB1 ALA 571 HB1 ALA 571 0.695 -12.105 1.400 528 HB2 ALA 571 HB2 ALA 571 1.606 -13.614 1.453 529 HB3 ALA 571 HB3 ALA 571 0.166 -13.488 0.440 530 H MET 572 HN MET 572 1.325 -10.028 0.052 531 HA MET 572 HA MET 572 -0.773 -9.789 -1.848 532 HB2 MET 572 HB2 MET 572 0.796 -7.533 -0.598 533 HB3 MET 572 HB3 MET 572 -0.809 -7.440 -1.311 534 HG2 MET 572 HG2 MET 572 -1.525 -9.102 0.461 535 HG3 MET 572 HG3 MET 572 0.021 -8.770 1.240 536 HE1 MET 572 HE1 MET 572 -0.338 -7.570 3.374 537 HE2 MET 572 HE2 MET 572 -1.928 -8.317 3.244 538 HE3 MET 572 HE3 MET 572 -1.786 -6.625 3.716 539 H VAL 573 HN VAL 573 2.653 -8.834 -1.879 540 HA VAL 573 HA VAL 573 2.611 -7.481 -4.331 541 HB VAL 573 HB VAL 573 4.864 -9.024 -3.025 542 HG11 VAL 573 HG11 VAL 573 4.961 -7.088 -5.337 543 HG12 VAL 573 HG12 VAL 573 5.302 -8.816 -5.408 544 HG13 VAL 573 HG13 VAL 573 6.363 -7.745 -4.494 545 HG21 VAL 573 HG21 VAL 573 5.652 -6.797 -2.362 546 HG22 VAL 573 HG22 VAL 573 4.049 -7.140 -1.712 547 HG23 VAL 573 HG23 VAL 573 4.225 -6.076 -3.106 548 H GLN 574 HN GLN 574 3.243 -10.908 -3.596 549 HA GLN 574 HA GLN 574 3.671 -11.755 -6.240 550 HB2 GLN 574 HB2 GLN 574 2.596 -13.219 -3.827 551 HB3 GLN 574 HB3 GLN 574 2.922 -14.013 -5.360 552 HG2 GLN 574 HG2 GLN 574 4.974 -12.530 -3.734 553 HG3 GLN 574 HG3 GLN 574 4.724 -14.274 -3.691 554 HE21 GLN 574 HE21 GLN 574 6.788 -14.706 -4.408 555 HE22 GLN 574 HE22 GLN 574 7.285 -14.431 -6.033 556 H TYR 575 HN TYR 575 0.754 -11.282 -4.377 557 HA TYR 575 HA TYR 575 -0.993 -12.596 -6.207 558 HB2 TYR 575 HB2 TYR 575 -1.628 -12.317 -3.868 559 HB3 TYR 575 HB3 TYR 575 -1.607 -10.566 -4.049 560 HD1 TYR 575 HD1 TYR 575 -3.495 -9.408 -4.904 561 HD2 TYR 575 HD2 TYR 575 -3.348 -13.654 -5.105 562 HE1 TYR 575 HE1 TYR 575 -5.858 -9.453 -5.578 563 HE2 TYR 575 HE2 TYR 575 -5.708 -13.707 -5.776 564 HH TYR 575 HH TYR 575 -7.417 -10.899 -6.727 565 H TYR 576 HN TYR 576 -0.391 -9.141 -5.533 566 HA TYR 576 HA TYR 576 -2.123 -8.329 -7.646 567 HB2 TYR 576 HB2 TYR 576 -0.246 -6.769 -5.881 568 HB3 TYR 576 HB3 TYR 576 -1.292 -6.021 -7.086 569 HD1 TYR 576 HD1 TYR 576 -3.782 -6.250 -6.852 570 HD2 TYR 576 HD2 TYR 576 -1.107 -7.465 -3.779 571 HE1 TYR 576 HE1 TYR 576 -5.643 -6.266 -5.245 572 HE2 TYR 576 HE2 TYR 576 -2.957 -7.479 -2.161 573 HH TYR 576 HH TYR 576 -5.153 -6.568 -1.850 574 H GLN 577 HN GLN 577 1.165 -9.211 -7.637 575 HA GLN 577 HA GLN 577 1.816 -7.748 -10.036 576 HB2 GLN 577 HB2 GLN 577 3.155 -10.108 -8.719 577 HB3 GLN 577 HB3 GLN 577 3.708 -9.442 -10.249 578 HG2 GLN 577 HG2 GLN 577 3.941 -7.230 -9.082 579 HG3 GLN 577 HG3 GLN 577 3.639 -8.082 -7.568 580 HE21 GLN 577 HE21 GLN 577 5.890 -7.488 -10.122 581 HE22 GLN 577 HE22 GLN 577 7.246 -8.272 -9.390 582 H GLU 578 HN GLU 578 0.455 -10.866 -9.250 583 HA GLU 578 HA GLU 578 0.229 -11.604 -12.048 584 HB2 GLU 578 HB2 GLU 578 -0.899 -12.972 -9.600 585 HB3 GLU 578 HB3 GLU 578 -0.821 -13.647 -11.221 586 HG2 GLU 578 HG2 GLU 578 1.524 -12.940 -9.474 587 HG3 GLU 578 HG3 GLU 578 0.926 -14.562 -9.823 588 H LYS 579 HN LYS 579 -1.917 -10.534 -9.427 589 HA LYS 579 HA LYS 579 -3.975 -9.963 -11.444 590 HB2 LYS 579 HB2 LYS 579 -4.377 -11.237 -8.732 591 HB3 LYS 579 HB3 LYS 579 -5.682 -10.599 -9.721 592 HG2 LYS 579 HG2 LYS 579 -5.191 -12.220 -11.459 593 HG3 LYS 579 HG3 LYS 579 -3.831 -12.834 -10.518 594 HD2 LYS 579 HD2 LYS 579 -5.827 -14.253 -10.292 595 HD3 LYS 579 HD3 LYS 579 -5.337 -13.546 -8.752 596 HE2 LYS 579 HE2 LYS 579 -7.069 -11.866 -8.932 597 HE3 LYS 579 HE3 LYS 579 -7.515 -12.457 -10.532 598 HZ1 LYS 579 HZ1 LYS 579 -7.704 -14.051 -8.035 599 HZ2 LYS 579 HZ2 LYS 579 -8.238 -14.517 -9.570 600 HZ3 LYS 579 HZ3 LYS 579 -8.999 -13.244 -8.760 601 HA PRO 580 HA PRO 580 -3.069 -6.123 -9.023 602 HB2 PRO 580 HB2 PRO 580 -3.675 -4.469 -11.114 603 HB3 PRO 580 HB1 PRO 580 -2.069 -5.153 -10.842 604 HG2 PRO 580 HG2 PRO 580 -4.227 -6.069 -12.700 605 HG3 PRO 580 HG3 PRO 580 -2.483 -5.944 -12.987 606 HD2 PRO 580 HD2 PRO 580 -3.674 -8.290 -12.444 607 HD3 PRO 580 HD3 PRO 580 -2.034 -7.920 -11.877 608 H ALA 581 HN ALA 581 -4.502 -4.395 -8.400 609 HA ALA 581 HA ALA 581 -7.310 -5.206 -8.510 610 HB1 ALA 581 HB1 ALA 581 -5.955 -3.077 -6.856 611 HB2 ALA 581 HB2 ALA 581 -6.326 -4.717 -6.323 612 HB3 ALA 581 HB3 ALA 581 -7.633 -3.596 -6.703 613 H ILE 582 HN ILE 582 -8.954 -3.850 -9.262 614 HA ILE 582 HA ILE 582 -8.009 -1.814 -11.144 615 HB ILE 582 HB ILE 582 -10.715 -3.148 -10.999 616 HG12 ILE 582 HG12 ILE 582 -8.396 -3.670 -12.873 617 HG13 ILE 582 HG13 ILE 582 -8.889 -4.725 -11.553 618 HG21 ILE 582 HG21 ILE 582 -11.032 -2.221 -13.251 619 HG22 ILE 582 HG22 ILE 582 -9.478 -1.395 -13.119 620 HG23 ILE 582 HG23 ILE 582 -10.804 -0.956 -12.043 621 HD11 ILE 582 HD11 ILE 582 -11.049 -5.064 -12.653 622 HD12 ILE 582 HD12 ILE 582 -9.695 -5.565 -13.666 623 HD13 ILE 582 HD13 ILE 582 -10.517 -4.039 -13.986 624 H ILE 583 HN ILE 583 -8.175 0.252 -10.577 625 HA ILE 583 HA ILE 583 -10.662 1.100 -9.231 626 HB ILE 583 HB ILE 583 -7.902 2.288 -8.878 627 HG12 ILE 583 HG12 ILE 583 -8.437 0.295 -7.475 628 HG13 ILE 583 HG13 ILE 583 -8.154 1.756 -6.536 629 HG21 ILE 583 HG21 ILE 583 -9.601 4.033 -9.137 630 HG22 ILE 583 HG22 ILE 583 -8.938 3.997 -7.501 631 HG23 ILE 583 HG23 ILE 583 -10.532 3.314 -7.823 632 HD11 ILE 583 HD11 ILE 583 -10.001 0.532 -5.613 633 HD12 ILE 583 HD12 ILE 583 -10.822 0.524 -7.174 634 HD13 ILE 583 HD13 ILE 583 -10.586 2.044 -6.310 635 H ASN 584 HN ASN 584 -11.850 2.014 -10.784 636 HA ASN 584 HA ASN 584 -12.507 3.271 -12.546 637 HB2 ASN 584 HB2 ASN 584 -10.117 4.957 -11.773 638 HB3 ASN 584 HB3 ASN 584 -11.363 5.446 -12.917 639 HD21 ASN 584 HD21 ASN 584 -10.659 6.806 -10.559 640 HD22 ASN 584 HD22 ASN 584 -12.033 6.802 -9.511 641 H GLY 585 HN GLY 585 -10.854 1.045 -13.029 642 HA2 GLY 585 HA2 GLY 585 -10.197 0.080 -15.018 643 HA3 GLY 585 HA3 GLY 585 -10.155 1.668 -15.759 644 H GLU 586 HN GLU 586 -8.397 1.764 -12.904 645 HA GLU 586 HA GLU 586 -5.902 1.404 -14.400 646 HB2 GLU 586 HB2 GLU 586 -6.415 2.715 -11.723 647 HB3 GLU 586 HB3 GLU 586 -4.849 2.613 -12.512 648 HG2 GLU 586 HG2 GLU 586 -7.246 4.022 -13.661 649 HG3 GLU 586 HG3 GLU 586 -5.957 4.808 -12.753 650 H LYS 587 HN LYS 587 -4.795 -0.393 -14.155 651 HA LYS 587 HA LYS 587 -5.255 -2.302 -12.098 652 HB2 LYS 587 HB2 LYS 587 -2.875 -2.092 -13.950 653 HB3 LYS 587 HB3 LYS 587 -3.389 -3.519 -13.071 654 HG2 LYS 587 HG2 LYS 587 -4.988 -2.176 -15.239 655 HG3 LYS 587 HG3 LYS 587 -3.946 -3.579 -15.471 656 HD2 LYS 587 HD2 LYS 587 -5.335 -4.779 -13.768 657 HD3 LYS 587 HD3 LYS 587 -6.440 -3.403 -13.787 658 HE2 LYS 587 HE2 LYS 587 -6.773 -3.738 -16.207 659 HE3 LYS 587 HE3 LYS 587 -5.713 -5.144 -16.143 660 HZ1 LYS 587 HZ1 LYS 587 -8.261 -4.857 -14.654 661 HZ2 LYS 587 HZ2 LYS 587 -7.260 -6.217 -14.649 662 HZ3 LYS 587 HZ3 LYS 587 -8.059 -5.759 -16.067 663 H LEU 588 HN LEU 588 -4.670 -1.962 -10.030 664 HA LEU 588 HA LEU 588 -2.558 -0.149 -9.332 665 HB2 LEU 588 HB2 LEU 588 -4.097 -2.040 -7.554 666 HB3 LEU 588 HB1 LEU 588 -3.152 -0.656 -7.039 667 HG LEU 588 HG LEU 588 -5.727 -0.586 -8.611 668 HD11 LEU 588 HD11 LEU 588 -5.011 0.111 -5.778 669 HD12 LEU 588 HD12 LEU 588 -6.198 -1.063 -6.350 670 HD13 LEU 588 HD13 LEU 588 -6.487 0.662 -6.564 671 HD21 LEU 588 HD21 LEU 588 -4.284 1.194 -9.363 672 HD22 LEU 588 HD22 LEU 588 -3.945 1.662 -7.698 673 HD23 LEU 588 HD23 LEU 588 -5.570 1.855 -8.354 674 H LEU 589 HN LEU 589 -0.551 -0.609 -8.655 675 HA LEU 589 HA LEU 589 0.251 -3.446 -8.754 676 HB2 LEU 589 HB2 LEU 589 1.192 -2.145 -10.599 677 HB3 LEU 589 HB1 LEU 589 1.894 -1.012 -9.458 678 HG LEU 589 HG LEU 589 3.294 -2.864 -8.554 679 HD11 LEU 589 HD11 LEU 589 1.925 -4.752 -9.163 680 HD12 LEU 589 HD12 LEU 589 3.511 -4.904 -9.923 681 HD13 LEU 589 HD13 LEU 589 2.122 -4.380 -10.876 682 HD21 LEU 589 HD21 LEU 589 3.565 -2.327 -11.507 683 HD22 LEU 589 HD22 LEU 589 4.833 -2.951 -10.455 684 HD23 LEU 589 HD23 LEU 589 4.200 -1.324 -10.203 685 H ILE 590 HN ILE 590 0.617 -4.205 -6.776 686 HA ILE 590 HA ILE 590 1.794 -2.438 -4.753 687 HB ILE 590 HB ILE 590 0.592 -5.198 -4.418 688 HG12 ILE 590 HG12 ILE 590 -0.492 -2.435 -3.850 689 HG13 ILE 590 HG13 ILE 590 -1.151 -3.633 -4.953 690 HG21 ILE 590 HG21 ILE 590 0.714 -4.722 -2.002 691 HG22 ILE 590 HG22 ILE 590 1.579 -3.227 -2.358 692 HG23 ILE 590 HG23 ILE 590 2.307 -4.781 -2.758 693 HD11 ILE 590 HD11 ILE 590 -1.118 -3.758 -1.942 694 HD12 ILE 590 HD12 ILE 590 -1.649 -5.073 -2.998 695 HD13 ILE 590 HD13 ILE 590 -2.518 -3.540 -3.000 696 H ARG 591 HN ARG 591 3.899 -2.551 -4.341 697 HA ARG 591 HA ARG 591 5.365 -5.035 -4.672 698 HB2 ARG 591 HB2 ARG 591 5.921 -2.555 -6.297 699 HB3 ARG 591 HB3 ARG 591 7.173 -3.744 -5.965 700 HG2 ARG 591 HG2 ARG 591 5.722 -5.468 -7.026 701 HG3 ARG 591 HG3 ARG 591 4.611 -4.176 -7.483 702 HD2 ARG 591 HD2 ARG 591 6.071 -4.701 -9.338 703 HD3 ARG 591 HD3 ARG 591 6.432 -3.087 -8.731 704 HE ARG 591 HE ARG 591 8.144 -4.845 -7.432 705 HH11 ARG 591 HH11 ARG 591 7.532 -3.778 -10.715 706 HH12 ARG 591 HH12 ARG 591 9.172 -3.999 -11.227 707 HH21 ARG 591 HH21 ARG 591 10.305 -5.155 -8.116 708 HH22 ARG 591 HH22 ARG 591 10.747 -4.792 -9.754 709 H MET 592 HN MET 592 7.698 -4.684 -3.901 710 HA MET 592 HA MET 592 7.475 -3.233 -1.396 711 HB2 MET 592 HB2 MET 592 9.606 -5.075 -2.475 712 HB3 MET 592 HB3 MET 592 9.695 -4.290 -0.905 713 HG2 MET 592 HG2 MET 592 7.499 -5.388 -0.355 714 HG3 MET 592 HG3 MET 592 7.694 -6.324 -1.835 715 HE1 MET 592 HE1 MET 592 7.277 -7.656 1.013 716 HE2 MET 592 HE2 MET 592 8.470 -8.952 0.949 717 HE3 MET 592 HE3 MET 592 7.496 -8.579 -0.473 718 H SER 593 HN SER 593 8.753 -1.509 -0.764 719 HA SER 593 HA SER 593 9.681 0.122 -2.940 720 HB2 SER 593 HB2 SER 593 8.453 1.161 -1.101 721 HB3 SER 593 HB3 SER 593 9.688 0.640 0.040 722 HG SER 593 HG SER 593 9.681 2.761 -1.715 723 H THR 594 HN THR 594 11.635 0.526 -3.548 724 HA THR 594 HA THR 594 13.844 -0.965 -2.401 725 HB THR 594 HB THR 594 15.064 -0.003 -4.423 726 HG1 THR 594 HG1 THR 594 13.854 1.076 -5.922 727 HG21 THR 594 HG21 THR 594 14.156 -2.276 -4.415 728 HG22 THR 594 HG22 THR 594 13.953 -1.530 -6.000 729 HG23 THR 594 HG23 THR 594 12.578 -1.657 -4.902 730 H ARG 595 HN ARG 595 12.518 2.140 -2.097 731 HA ARG 595 HA ARG 595 15.138 3.410 -1.694 732 HB2 ARG 595 HB2 ARG 595 12.417 4.696 -1.925 733 HB3 ARG 595 HB3 ARG 595 13.952 5.543 -1.827 734 HG2 ARG 595 HG2 ARG 595 14.614 4.511 -3.970 735 HG3 ARG 595 HG3 ARG 595 13.015 3.767 -4.065 736 HD2 ARG 595 HD2 ARG 595 12.020 6.047 -3.941 737 HD3 ARG 595 HD3 ARG 595 13.650 6.713 -4.032 738 HE ARG 595 HE ARG 595 13.130 4.917 -6.177 739 HH11 ARG 595 HH11 ARG 595 12.561 8.191 -5.075 740 HH12 ARG 595 HH12 ARG 595 12.329 8.821 -6.674 741 HH21 ARG 595 HH21 ARG 595 12.809 5.736 -8.277 742 HH22 ARG 595 HH22 ARG 595 12.461 7.422 -8.496 743 H TYR 596 HN TYR 596 12.208 2.522 -0.025 744 HA TYR 596 HA TYR 596 13.271 3.819 2.393 745 HB2 TYR 596 HB2 TYR 596 10.432 3.507 1.458 746 HB3 TYR 596 HB3 TYR 596 10.819 3.831 3.145 747 HD1 TYR 596 HD1 TYR 596 10.917 5.190 -0.273 748 HD2 TYR 596 HD2 TYR 596 11.617 5.980 3.846 749 HE1 TYR 596 HE1 TYR 596 11.105 7.591 -0.769 750 HE2 TYR 596 HE2 TYR 596 11.802 8.383 3.362 751 HH TYR 596 HH TYR 596 10.881 9.735 0.369 752 H LYS 597 HN LYS 597 13.264 2.791 4.298 753 HA LYS 597 HA LYS 597 12.784 -0.106 4.197 754 HB2 LYS 597 HB2 LYS 597 14.477 1.432 6.170 755 HB3 LYS 597 HB3 LYS 597 14.396 -0.315 5.984 756 HG2 LYS 597 HG2 LYS 597 15.453 1.612 3.927 757 HG3 LYS 597 HG3 LYS 597 16.434 0.651 5.030 758 HD2 LYS 597 HD2 LYS 597 15.893 -1.347 3.957 759 HD3 LYS 597 HD3 LYS 597 14.470 -0.649 3.178 760 HE2 LYS 597 HE2 LYS 597 16.371 -1.021 1.623 761 HE3 LYS 597 HE3 LYS 597 15.841 0.656 1.705 762 HZ1 LYS 597 HZ1 LYS 597 18.229 0.544 1.733 763 HZ2 LYS 597 HZ2 LYS 597 18.213 -0.501 3.061 764 HZ3 LYS 597 HZ3 LYS 597 17.686 1.095 3.236 765 H GLU 598 HN GLU 598 11.793 2.848 5.632 766 HA GLU 598 HA GLU 598 10.007 1.390 7.433 767 HB2 GLU 598 HB2 GLU 598 12.005 1.963 8.748 768 HB3 GLU 598 HB3 GLU 598 11.833 3.648 8.287 769 HG2 GLU 598 HG2 GLU 598 9.656 3.706 9.459 770 HG3 GLU 598 HG3 GLU 598 9.944 2.048 9.997 771 H LEU 599 HN LEU 599 8.152 2.508 7.990 772 HA LEU 599 HA LEU 599 7.621 4.942 6.415 773 HB2 LEU 599 HB2 LEU 599 5.659 2.899 7.463 774 HB3 LEU 599 HB1 LEU 599 5.241 4.331 6.542 775 HG LEU 599 HG LEU 599 6.826 1.964 5.551 776 HD11 LEU 599 HD11 LEU 599 4.112 3.023 4.798 777 HD12 LEU 599 HD12 LEU 599 4.438 1.548 5.711 778 HD13 LEU 599 HD13 LEU 599 4.944 1.675 4.025 779 HD21 LEU 599 HD21 LEU 599 6.036 4.471 4.080 780 HD22 LEU 599 HD22 LEU 599 6.872 3.073 3.404 781 HD23 LEU 599 HD23 LEU 599 7.669 4.072 4.617 782 H GLN 600 HN GLN 600 7.454 6.748 7.498 783 HA GLN 600 HA GLN 600 6.731 6.637 10.346 784 HB2 GLN 600 HB2 GLN 600 8.989 7.477 9.928 785 HB3 GLN 600 HB3 GLN 600 8.352 8.689 8.827 786 HG2 GLN 600 HG2 GLN 600 7.143 9.728 10.690 787 HG3 GLN 600 HG3 GLN 600 7.836 8.531 11.786 788 HE21 GLN 600 HE21 GLN 600 8.469 11.329 9.828 789 HE22 GLN 600 HE22 GLN 600 10.027 11.691 10.483 790 H LEU 601 HN LEU 601 4.677 7.227 10.688 791 HA LEU 601 HA LEU 601 3.178 8.747 8.798 792 HB2 LEU 601 HB2 LEU 601 2.569 7.886 11.619 793 HB3 LEU 601 HB1 LEU 601 1.440 8.791 10.634 794 HG LEU 601 HG LEU 601 2.483 6.018 10.055 795 HD11 LEU 601 HD11 LEU 601 0.861 6.061 11.852 796 HD12 LEU 601 HD12 LEU 601 0.130 5.380 10.398 797 HD13 LEU 601 HD13 LEU 601 -0.234 7.038 10.874 798 HD21 LEU 601 HD21 LEU 601 0.574 7.764 8.506 799 HD22 LEU 601 HD22 LEU 601 0.844 6.048 8.206 800 HD23 LEU 601 HD23 LEU 601 2.159 7.200 7.977 801 H LYS 602 HN LYS 602 3.776 10.804 8.470 802 HA LYS 602 HA LYS 602 4.248 12.565 10.738 803 HB2 LYS 602 HB2 LYS 602 4.271 13.068 7.759 804 HB3 LYS 602 HB3 LYS 602 4.638 14.287 8.972 805 HG2 LYS 602 HG2 LYS 602 6.517 12.888 9.759 806 HG3 LYS 602 HG3 LYS 602 6.173 11.746 8.459 807 HD2 LYS 602 HD2 LYS 602 6.911 14.649 8.091 808 HD3 LYS 602 HD3 LYS 602 8.005 13.280 7.886 809 HE2 LYS 602 HE2 LYS 602 6.586 12.420 6.089 810 HE3 LYS 602 HE3 LYS 602 5.493 13.787 6.296 811 HZ1 LYS 602 HZ1 LYS 602 8.342 13.978 5.494 812 HZ2 LYS 602 HZ2 LYS 602 7.274 15.275 5.668 813 HZ3 LYS 602 HZ3 LYS 602 7.016 14.128 4.456 814 H LYS 603 HN LYS 603 1.670 11.439 8.945 815 HA LYS 603 HA LYS 603 -0.016 13.683 9.820 816 HB2 LYS 603 HB2 LYS 603 -0.331 11.902 7.383 817 HB3 LYS 603 HB3 LYS 603 -1.565 13.023 7.950 818 HG2 LYS 603 HG2 LYS 603 1.206 13.780 7.041 819 HG3 LYS 603 HG3 LYS 603 -0.281 13.969 6.108 820 HD2 LYS 603 HD2 LYS 603 -1.148 15.535 7.738 821 HD3 LYS 603 HD3 LYS 603 0.253 15.278 8.776 822 HE2 LYS 603 HE2 LYS 603 1.704 16.189 7.023 823 HE3 LYS 603 HE3 LYS 603 0.290 16.474 6.010 824 HZ1 LYS 603 HZ1 LYS 603 0.964 18.487 7.149 825 HZ2 LYS 603 HZ2 LYS 603 0.819 17.729 8.652 826 HZ3 LYS 603 HZ3 LYS 603 -0.555 17.992 7.703 827 HA PRO 604 HA PRO 604 -2.116 10.793 12.383 828 HB2 PRO 604 HB2 PRO 604 -4.625 11.849 12.418 829 HB3 PRO 604 HB1 PRO 604 -3.267 12.542 13.316 830 HG2 PRO 604 HG2 PRO 604 -4.413 13.371 10.680 831 HG3 PRO 604 HG3 PRO 604 -3.877 14.380 12.036 832 HD2 PRO 604 HD2 PRO 604 -2.353 13.991 9.840 833 HD3 PRO 604 HD3 PRO 604 -1.648 14.195 11.457 834 H GLY 605 HN GLY 605 -3.516 9.040 12.328 835 HA2 GLY 605 HA2 GLY 605 -4.564 8.427 9.645 836 HA3 GLY 605 HA3 GLY 605 -3.858 7.229 10.724 837 H LYS 606 HN LYS 606 -6.139 6.548 9.853 838 HA LYS 606 HA LYS 606 -8.126 7.212 11.933 839 HB2 LYS 606 HB2 LYS 606 -8.662 6.043 9.194 840 HB3 LYS 606 HB3 LYS 606 -9.851 6.643 10.343 841 HG2 LYS 606 HG2 LYS 606 -7.766 8.360 9.015 842 HG3 LYS 606 HG3 LYS 606 -9.414 8.159 8.424 843 HD2 LYS 606 HD2 LYS 606 -10.288 9.087 10.503 844 HD3 LYS 606 HD3 LYS 606 -8.646 9.243 11.134 845 HE2 LYS 606 HE2 LYS 606 -9.514 11.375 10.276 846 HE3 LYS 606 HE3 LYS 606 -8.094 10.831 9.385 847 HZ1 LYS 606 HZ1 LYS 606 -9.571 9.992 7.649 848 HZ2 LYS 606 HZ2 LYS 606 -9.784 11.653 7.887 849 HZ3 LYS 606 HZ3 LYS 606 -10.916 10.561 8.503 850 H ASN 607 HN ASN 607 -9.388 5.365 12.747 851 HA ASN 607 HA ASN 607 -7.981 3.056 13.252 852 HB2 ASN 607 HB2 ASN 607 -9.913 3.702 14.572 853 HB3 ASN 607 HB3 ASN 607 -10.972 3.508 13.180 854 HD21 ASN 607 HD21 ASN 607 -12.263 2.012 14.190 855 HD22 ASN 607 HD22 ASN 607 -11.743 0.395 14.523 856 H VAL 608 HN VAL 608 -7.404 1.428 12.056 857 HA VAL 608 HA VAL 608 -8.410 1.187 9.359 858 HB VAL 608 HB VAL 608 -6.154 -0.216 10.802 859 HG11 VAL 608 HG11 VAL 608 -5.427 -0.889 8.515 860 HG12 VAL 608 HG12 VAL 608 -7.012 -0.383 7.931 861 HG13 VAL 608 HG13 VAL 608 -6.881 -1.700 9.093 862 HG21 VAL 608 HG21 VAL 608 -6.151 1.976 8.726 863 HG22 VAL 608 HG22 VAL 608 -4.720 1.201 9.408 864 HG23 VAL 608 HG23 VAL 608 -5.777 2.164 10.440 865 H ALA 609 HN ALA 609 -8.895 -0.356 12.401 866 HA ALA 609 HA ALA 609 -9.767 -2.895 11.537 867 HB1 ALA 609 HB1 ALA 609 -10.700 -1.300 13.922 868 HB2 ALA 609 HB2 ALA 609 -9.330 -2.410 13.884 869 HB3 ALA 609 HB3 ALA 609 -10.968 -3.024 13.666 870 H ALA 610 HN ALA 610 -11.360 0.219 11.719 871 HA ALA 610 HA ALA 610 -13.990 -0.645 11.148 872 HB1 ALA 610 HB1 ALA 610 -12.706 2.015 10.526 873 HB2 ALA 610 HB2 ALA 610 -13.470 1.579 12.054 874 HB3 ALA 610 HB3 ALA 610 -14.437 1.679 10.584 875 H ILE 611 HN ILE 611 -11.178 -0.094 9.211 876 HA ILE 611 HA ILE 611 -12.498 0.007 6.689 877 HB ILE 611 HB ILE 611 -9.611 -0.639 7.349 878 HG12 ILE 611 HG12 ILE 611 -10.908 1.937 6.426 879 HG13 ILE 611 HG13 ILE 611 -10.383 1.606 8.073 880 HG21 ILE 611 HG21 ILE 611 -10.848 0.156 4.714 881 HG22 ILE 611 HG22 ILE 611 -10.296 -1.466 5.133 882 HG23 ILE 611 HG23 ILE 611 -9.136 -0.141 5.023 883 HD11 ILE 611 HD11 ILE 611 -8.632 1.805 5.638 884 HD12 ILE 611 HD12 ILE 611 -8.068 1.376 7.252 885 HD13 ILE 611 HD13 ILE 611 -8.758 2.973 6.951 886 H ILE 612 HN ILE 612 -11.133 -2.572 8.703 887 HA ILE 612 HA ILE 612 -11.449 -4.712 6.934 888 HB ILE 612 HB ILE 612 -11.945 -4.791 9.921 889 HG12 ILE 612 HG12 ILE 612 -9.370 -5.286 8.413 890 HG13 ILE 612 HG13 ILE 612 -9.728 -3.823 9.324 891 HG21 ILE 612 HG21 ILE 612 -11.323 -7.155 9.726 892 HG22 ILE 612 HG22 ILE 612 -11.167 -6.965 7.979 893 HG23 ILE 612 HG23 ILE 612 -12.741 -6.773 8.750 894 HD11 ILE 612 HD11 ILE 612 -8.301 -5.325 10.582 895 HD12 ILE 612 HD12 ILE 612 -9.512 -6.602 10.455 896 HD13 ILE 612 HD13 ILE 612 -9.865 -5.139 11.372 897 H GLN 613 HN GLN 613 -13.739 -3.263 9.214 898 HA GLN 613 HA GLN 613 -15.951 -4.911 8.615 899 HB2 GLN 613 HB2 GLN 613 -15.914 -2.026 9.531 900 HB3 GLN 613 HB3 GLN 613 -17.300 -3.104 9.608 901 HG2 GLN 613 HG2 GLN 613 -16.151 -4.524 11.189 902 HG3 GLN 613 HG3 GLN 613 -14.699 -3.536 11.057 903 HE21 GLN 613 HE21 GLN 613 -17.918 -2.179 11.122 904 HE22 GLN 613 HE22 GLN 613 -17.786 -1.453 12.676 905 H ASP 614 HN ASP 614 -14.536 -2.189 7.086 906 HA ASP 614 HA ASP 614 -16.710 -1.443 5.399 907 HB2 ASP 614 HB2 ASP 614 -14.561 -0.113 6.063 908 HB3 ASP 614 HB3 ASP 614 -13.835 -0.945 4.694 909 H ILE 615 HN ILE 615 -13.800 -3.424 4.944 910 HA ILE 615 HA ILE 615 -14.172 -4.101 2.249 911 HB ILE 615 HB ILE 615 -12.897 -5.736 4.451 912 HG12 ILE 615 HG12 ILE 615 -11.616 -3.903 2.421 913 HG13 ILE 615 HG13 ILE 615 -11.965 -3.445 4.084 914 HG21 ILE 615 HG21 ILE 615 -13.440 -7.103 2.500 915 HG22 ILE 615 HG22 ILE 615 -11.698 -6.885 2.656 916 HG23 ILE 615 HG23 ILE 615 -12.597 -5.959 1.456 917 HD11 ILE 615 HD11 ILE 615 -9.670 -4.039 3.904 918 HD12 ILE 615 HD12 ILE 615 -10.078 -5.578 3.145 919 HD13 ILE 615 HD13 ILE 615 -10.499 -5.287 4.834 920 H HIS 616 HN HIS 616 -15.152 -5.762 5.213 921 HA HIS 616 HA HIS 616 -16.333 -7.999 3.974 922 HB2 HIS 616 HB2 HIS 616 -16.737 -6.759 6.694 923 HB3 HIS 616 HB3 HIS 616 -17.549 -8.237 6.198 924 HD1 HIS 616 HD1 HIS 616 -16.347 -9.685 7.936 925 HD2 HIS 616 HD2 HIS 616 -13.767 -7.713 5.341 926 HE1 HIS 616 HE1 HIS 616 -14.083 -10.701 8.328 927 HE2 HIS 616 HE2 HIS 616 -12.516 -9.391 6.857 928 H SER 617 HN SER 617 -17.545 -4.811 4.670 929 HA SER 617 HA SER 617 -20.289 -5.378 4.299 930 HB2 SER 617 HB2 SER 617 -19.328 -3.340 5.444 931 HB3 SER 617 HB3 SER 617 -18.897 -2.730 3.848 932 HG SER 617 HG SER 617 -21.540 -3.539 4.312 933 H GLN 618 HN GLN 618 -17.652 -4.508 2.155 934 HA GLN 618 HA GLN 618 -19.378 -4.252 -0.154 935 HB2 GLN 618 HB2 GLN 618 -16.372 -4.228 0.151 936 HB3 GLN 618 HB3 GLN 618 -17.199 -4.018 -1.386 937 HG2 GLN 618 HG2 GLN 618 -17.538 -2.233 1.013 938 HG3 GLN 618 HG3 GLN 618 -16.496 -1.895 -0.369 939 HE21 GLN 618 HE21 GLN 618 -18.814 -0.430 0.674 940 HE22 GLN 618 HE22 GLN 618 -19.927 -0.309 -0.643 941 H ARG 619 HN ARG 619 -16.666 -6.411 0.714 942 HA ARG 619 HA ARG 619 -17.974 -8.515 -0.888 943 HB2 ARG 619 HB2 ARG 619 -14.990 -8.145 -0.568 944 HB3 ARG 619 HB3 ARG 619 -15.796 -9.368 -1.537 945 HG2 ARG 619 HG2 ARG 619 -16.736 -7.510 -2.928 946 HG3 ARG 619 HG3 ARG 619 -15.681 -6.408 -2.041 947 HD2 ARG 619 HD2 ARG 619 -14.873 -8.728 -3.785 948 HD3 ARG 619 HD3 ARG 619 -14.568 -7.014 -4.067 949 HE ARG 619 HE ARG 619 -13.409 -7.840 -1.614 950 HH11 ARG 619 HH11 ARG 619 -12.956 -8.086 -5.077 951 HH12 ARG 619 HH12 ARG 619 -11.239 -8.311 -4.966 952 HH21 ARG 619 HH21 ARG 619 -11.160 -8.148 -1.460 953 HH22 ARG 619 HH22 ARG 619 -10.216 -8.355 -2.902 954 H GLU 620 HN GLU 620 -18.829 -9.807 0.653 955 HA GLU 620 HA GLU 620 -17.259 -10.484 2.999 956 HB2 GLU 620 HB2 GLU 620 -19.636 -10.152 3.342 957 HB3 GLU 620 HB3 GLU 620 -20.015 -11.357 2.118 958 HG2 GLU 620 HG2 GLU 620 -19.013 -13.092 3.500 959 HG3 GLU 620 HG3 GLU 620 -18.601 -11.890 4.719 960 H ARG 621 HN ARG 621 -16.334 -12.443 3.392 961 HA ARG 621 HA ARG 621 -15.810 -14.096 1.073 962 HB2 ARG 621 HB2 ARG 621 -14.770 -14.339 3.901 963 HB3 ARG 621 HB3 ARG 621 -14.182 -15.226 2.505 964 HG2 ARG 621 HG2 ARG 621 -13.338 -13.217 1.507 965 HG3 ARG 621 HG3 ARG 621 -14.071 -12.233 2.776 966 HD2 ARG 621 HD2 ARG 621 -11.856 -14.251 3.107 967 HD3 ARG 621 HD3 ARG 621 -11.711 -12.498 3.213 968 HE ARG 621 HE ARG 621 -13.479 -13.895 5.088 969 HH11 ARG 621 HH11 ARG 621 -10.529 -12.117 4.502 970 HH12 ARG 621 HH12 ARG 621 -10.262 -11.762 6.177 971 HH21 ARG 621 HH21 ARG 621 -13.135 -13.437 7.293 972 HH22 ARG 621 HH22 ARG 621 -11.746 -12.506 7.766 Start of MODEL 22 1 HO5' ADN 1 H5T ADE 1 9.327 0.337 -9.375 2 H5'1 ADN 1 H5' ADE 1 8.145 -0.185 -11.908 3 H5'2 ADN 1 H5'' ADE 1 9.395 -1.193 -11.166 4 H4' ADN 1 H4' ADE 1 10.620 1.121 -10.892 5 H3' ADN 1 H3' ADE 1 8.583 2.295 -12.143 6 H2' ADN 1 H2' ADE 1 8.595 0.879 -14.117 7 HO2' ADN 1 HO2' ADE 1 9.880 2.113 -15.727 8 H1' ADN 1 H1' ADE 1 11.653 1.135 -14.192 9 H8 ADN 1 H8 ADE 1 10.410 -2.258 -13.706 10 HN61 ADN 1 H61 ADE 1 10.349 -3.862 -18.287 11 HN62 ADN 1 H62 ADE 1 10.479 -3.066 -19.840 12 H2 ADN 1 H2 ADE 1 10.957 1.317 -19.008 13 H5' U 2 H5' URI 2 10.899 5.207 -9.630 14 H5'' U 2 H5'' URI 2 9.775 3.983 -10.255 15 H4' U 2 H4' URI 2 9.066 6.885 -9.878 16 H3' U 2 H3' URI 2 9.515 5.465 -7.661 17 H2' U 2 H2' URI 2 8.130 3.556 -8.323 18 HO2' U 2 HO2' URI 2 6.711 5.442 -6.756 19 H1' U 2 H1' URI 2 6.041 5.660 -9.160 20 H3 U 2 H3 URI 2 2.999 2.909 -10.827 21 H5 U 2 H5 URI 2 6.507 0.627 -11.137 22 H6 U 2 H6 URI 2 7.710 2.478 -10.176 23 H5' C 3 H5' CYT 3 6.727 6.932 -4.127 24 H5'' C 3 H5'' CYT 3 7.728 8.396 -4.164 25 H4' C 3 H4' CYT 3 7.761 7.292 -1.995 26 H3' C 3 H3' CYT 3 9.946 8.404 -3.099 27 H2' C 3 H2' CYT 3 10.867 6.422 -4.110 28 HO2' C 3 HO2' CYT 3 11.812 6.918 -1.552 29 H1' C 3 H1' CYT 3 10.068 4.811 -1.626 30 H41 C 3 H41 CYT 3 10.636 0.676 -6.762 31 H42 C 3 H42 CYT 3 11.603 0.019 -5.461 32 H5 C 3 H5 CYT 3 9.497 2.813 -6.606 33 H6 C 3 H6 CYT 3 9.029 4.717 -5.156 34 H5' U 4 H5' URI 4 7.071 10.705 -2.282 35 H5'' U 4 H5'' URI 4 8.161 11.403 -1.072 36 H4' U 4 H4' URI 4 5.379 10.992 -0.919 37 H3' U 4 H3' URI 4 7.072 12.756 0.243 38 H2' U 4 H2' URI 4 7.953 11.218 1.900 39 HO2' U 4 HO2' URI 4 6.289 11.495 3.765 40 H1' U 4 H1' URI 4 5.062 10.189 2.170 41 H3 U 4 H3 URI 4 6.874 8.217 5.892 42 H5 U 4 H5 URI 4 8.524 6.217 2.591 43 H6 U 4 H6 URI 4 7.577 7.923 1.181 44 H5' U 5 H5' URI 5 3.664 13.184 -0.983 45 H5'' U 5 H5'' URI 5 2.949 14.736 -1.456 46 H4' U 5 H4' URI 5 1.194 13.180 -1.274 47 H3' U 5 H3' URI 5 1.026 15.508 0.133 48 H2' U 5 H2' URI 5 1.575 14.592 2.290 49 HO2' U 5 HO2' URI 5 -1.201 14.106 1.849 50 H1' U 5 H1' URI 5 -0.022 12.085 1.494 51 H3 U 5 H3 URI 5 0.640 10.310 5.536 52 H5 U 5 H5 URI 5 4.448 11.750 4.508 53 H6 U 5 H6 URI 5 3.474 12.681 2.513 54 H5' A 6 H5' ADE 6 -0.906 16.674 1.613 55 H5'' A 6 H5'' ADE 6 -2.352 17.229 0.748 56 H4' A 6 H4' ADE 6 -1.274 18.987 2.077 57 H3' A 6 H3' ADE 6 -2.425 19.430 -0.302 58 HO3' A 6 H3T ADE 6 -2.361 21.497 0.209 59 H2' A 6 H2' ADE 6 -0.439 19.118 -1.655 60 HO2' A 6 HO2' ADE 6 -0.509 21.847 -0.821 61 H1' A 6 H1' ADE 6 1.110 20.749 0.440 62 H8 A 6 H8 ADE 6 1.646 19.992 -2.802 63 H61 A 6 H61 ADE 6 5.938 17.723 -2.915 64 H62 A 6 H62 ADE 6 6.915 16.946 -1.690 65 H2 A 6 H2 ADE 6 4.677 17.309 2.178 66 H1 GLY 510 HT1 GLY 510 15.593 -11.871 1.056 67 H2 GLY 510 HT2 GLY 510 16.987 -12.334 1.890 68 H3 GLY 510 HT3 GLY 510 17.034 -11.019 0.829 69 HA2 GLY 510 HA3 GLY 510 15.499 -9.795 2.246 70 HA3 GLY 510 HA2 GLY 510 15.488 -11.155 3.356 71 H ALA 511 HN ALA 511 18.477 -11.483 2.619 72 HA ALA 511 HA ALA 511 19.421 -9.769 4.758 73 HB1 ALA 511 HB1 ALA 511 20.097 -12.124 4.685 74 HB2 ALA 511 HB2 ALA 511 21.488 -11.044 4.603 75 HB3 ALA 511 HB3 ALA 511 20.904 -11.842 3.142 76 H MET 512 HN MET 512 19.811 -10.100 1.271 77 HA MET 512 HA MET 512 21.780 -7.959 1.245 78 HB2 MET 512 HB2 MET 512 21.858 -8.353 -1.212 79 HB3 MET 512 HB3 MET 512 22.253 -9.773 -0.258 80 HG2 MET 512 HG2 MET 512 19.981 -10.628 -0.630 81 HG3 MET 512 HG3 MET 512 19.633 -9.220 -1.630 82 HE1 MET 512 HE1 MET 512 19.208 -12.202 -2.629 83 HE2 MET 512 HE2 MET 512 19.870 -12.103 -4.261 84 HE3 MET 512 HE3 MET 512 18.883 -10.785 -3.627 85 H ALA 513 HN ALA 513 20.719 -6.170 1.866 86 HA ALA 513 HA ALA 513 19.532 -4.253 1.664 87 HB1 ALA 513 HB1 ALA 513 18.901 -5.184 -1.135 88 HB2 ALA 513 HB2 ALA 513 20.303 -4.223 -0.663 89 HB3 ALA 513 HB3 ALA 513 18.679 -3.552 -0.502 90 H GLN 514 HN GLN 514 17.157 -3.527 0.778 91 HA GLN 514 HA GLN 514 14.922 -3.654 1.043 92 HB2 GLN 514 HB2 GLN 514 15.422 -6.625 1.056 93 HB3 GLN 514 HB3 GLN 514 13.815 -5.916 1.180 94 HG2 GLN 514 HG2 GLN 514 15.740 -5.501 -1.099 95 HG3 GLN 514 HG3 GLN 514 14.348 -6.583 -1.108 96 HE21 GLN 514 HE21 GLN 514 12.305 -5.748 -1.327 97 HE22 GLN 514 HE22 GLN 514 12.006 -4.102 -1.742 98 H ARG 515 HN ARG 515 16.196 -6.219 3.176 99 HA ARG 515 HA ARG 515 16.046 -6.527 5.432 100 HB2 ARG 515 HB2 ARG 515 16.251 -3.513 5.378 101 HB3 ARG 515 HB3 ARG 515 16.494 -4.511 6.801 102 HG2 ARG 515 HG2 ARG 515 18.159 -4.625 4.297 103 HG3 ARG 515 HG3 ARG 515 18.600 -3.792 5.787 104 HD2 ARG 515 HD2 ARG 515 18.416 -5.976 6.975 105 HD3 ARG 515 HD3 ARG 515 18.175 -6.749 5.409 106 HE ARG 515 HE ARG 515 20.492 -5.320 5.134 107 HH11 ARG 515 HH11 ARG 515 19.363 -7.836 7.290 108 HH12 ARG 515 HH12 ARG 515 20.950 -8.470 7.583 109 HH21 ARG 515 HH21 ARG 515 22.570 -6.156 5.503 110 HH22 ARG 515 HH22 ARG 515 22.779 -7.525 6.549 111 H LYS 516 HN LYS 516 13.602 -6.812 4.413 112 HA LYS 516 HA LYS 516 11.753 -4.997 5.744 113 HB2 LYS 516 HB2 LYS 516 11.257 -7.285 3.831 114 HB3 LYS 516 HB3 LYS 516 10.014 -6.218 4.468 115 HG2 LYS 516 HG2 LYS 516 12.365 -5.227 2.874 116 HG3 LYS 516 HG3 LYS 516 10.828 -5.695 2.146 117 HD2 LYS 516 HD2 LYS 516 9.674 -4.010 3.498 118 HD3 LYS 516 HD3 LYS 516 11.209 -3.548 4.234 119 HE2 LYS 516 HE2 LYS 516 10.872 -3.484 1.262 120 HE3 LYS 516 HE3 LYS 516 10.270 -2.157 2.253 121 HZ1 LYS 516 HZ1 LYS 516 12.426 -1.664 2.997 122 HZ2 LYS 516 HZ2 LYS 516 12.589 -1.911 1.333 123 HZ3 LYS 516 HZ3 LYS 516 13.069 -3.117 2.422 124 H GLY 517 HN GLY 517 13.357 -6.795 7.364 125 HA2 GLY 517 HA2 GLY 517 11.121 -8.223 8.643 126 HA3 GLY 517 HA3 GLY 517 12.755 -8.870 8.641 127 H ALA 518 HN ALA 518 12.355 -5.548 8.875 128 HA ALA 518 HA ALA 518 12.172 -5.276 11.719 129 HB1 ALA 518 HB1 ALA 518 14.527 -5.967 11.556 130 HB2 ALA 518 HB2 ALA 518 14.390 -4.288 12.075 131 HB3 ALA 518 HB3 ALA 518 14.828 -4.662 10.411 132 H GLY 519 HN GLY 519 10.413 -4.141 10.597 133 HA2 GLY 519 HA2 GLY 519 9.606 -1.975 9.978 134 HA3 GLY 519 HA3 GLY 519 11.229 -1.579 9.402 135 H ARG 520 HN ARG 520 8.331 -1.906 8.152 136 HA ARG 520 HA ARG 520 9.420 -3.197 5.746 137 HB2 ARG 520 HB2 ARG 520 6.678 -3.700 6.917 138 HB3 ARG 520 HB3 ARG 520 7.239 -4.303 5.364 139 HG2 ARG 520 HG2 ARG 520 8.724 -5.801 6.339 140 HG3 ARG 520 HG3 ARG 520 8.724 -4.944 7.880 141 HD2 ARG 520 HD2 ARG 520 6.416 -6.496 6.718 142 HD3 ARG 520 HD3 ARG 520 7.473 -7.039 8.020 143 HE ARG 520 HE ARG 520 5.560 -4.799 8.190 144 HH11 ARG 520 HH11 ARG 520 7.459 -7.317 9.728 145 HH12 ARG 520 HH12 ARG 520 6.875 -6.959 11.321 146 HH21 ARG 520 HH21 ARG 520 4.800 -4.326 10.291 147 HH22 ARG 520 HH22 ARG 520 5.365 -5.260 11.639 148 H VAL 521 HN VAL 521 9.106 -2.069 3.966 149 HA VAL 521 HA VAL 521 6.941 -0.083 3.897 150 HB VAL 521 HB VAL 521 9.568 0.006 2.413 151 HG11 VAL 521 HG11 VAL 521 7.237 1.892 2.329 152 HG12 VAL 521 HG12 VAL 521 7.822 0.885 1.008 153 HG13 VAL 521 HG13 VAL 521 8.821 2.204 1.623 154 HG21 VAL 521 HG21 VAL 521 8.447 1.693 4.622 155 HG22 VAL 521 HG22 VAL 521 9.910 2.066 3.714 156 HG23 VAL 521 HG23 VAL 521 9.838 0.613 4.710 157 H VAL 522 HN VAL 522 5.334 -0.623 2.615 158 HA VAL 522 HA VAL 522 5.927 -2.185 0.187 159 HB VAL 522 HB VAL 522 3.324 -2.237 1.720 160 HG11 VAL 522 HG11 VAL 522 2.871 -4.233 0.354 161 HG12 VAL 522 HG12 VAL 522 4.376 -3.951 -0.520 162 HG13 VAL 522 HG13 VAL 522 3.067 -2.772 -0.615 163 HG21 VAL 522 HG21 VAL 522 3.976 -4.470 2.498 164 HG22 VAL 522 HG22 VAL 522 5.052 -3.213 3.107 165 HG23 VAL 522 HG23 VAL 522 5.569 -4.245 1.774 166 H HIS 523 HN HIS 523 5.492 -1.018 -1.665 167 HA HIS 523 HA HIS 523 3.938 1.436 -1.286 168 HB2 HIS 523 HB2 HIS 523 6.311 1.656 -1.999 169 HB3 HIS 523 HB3 HIS 523 5.943 0.717 -3.439 170 HD1 HIS 523 HD1 HIS 523 4.624 1.909 -5.326 171 HD2 HIS 523 HD2 HIS 523 5.476 4.323 -2.055 172 HE1 HIS 523 HE1 HIS 523 4.200 4.258 -6.094 173 HE2 HIS 523 HE2 HIS 523 4.930 5.706 -4.169 174 H ILE 524 HN ILE 524 2.157 1.798 -2.411 175 HA ILE 524 HA ILE 524 1.346 -0.173 -4.444 176 HB ILE 524 HB ILE 524 -0.431 1.625 -2.776 177 HG12 ILE 524 HG12 ILE 524 0.296 -1.294 -2.454 178 HG13 ILE 524 HG13 ILE 524 0.666 0.012 -1.341 179 HG21 ILE 524 HG21 ILE 524 -2.232 0.106 -3.583 180 HG22 ILE 524 HG22 ILE 524 -1.058 -0.641 -4.666 181 HG23 ILE 524 HG23 ILE 524 -1.480 1.060 -4.862 182 HD11 ILE 524 HD11 ILE 524 -1.679 0.265 -0.820 183 HD12 ILE 524 HD12 ILE 524 -1.156 -1.401 -0.554 184 HD13 ILE 524 HD13 ILE 524 -2.094 -0.988 -1.992 185 H CYS 525 HN CYS 525 0.671 0.627 -6.450 186 HA CYS 525 HA CYS 525 1.121 3.512 -6.828 187 HB2 CYS 525 HB2 CYS 525 2.106 1.717 -8.960 188 HB3 CYS 525 HB3 CYS 525 2.812 3.195 -8.315 189 HG CYS 525 HG CYS 525 3.005 0.098 -6.857 190 H ASN 526 HN ASN 526 0.262 4.402 -8.727 191 HA ASN 526 HA ASN 526 -0.898 4.566 -10.690 192 HB2 ASN 526 HB2 ASN 526 -1.628 1.653 -10.309 193 HB3 ASN 526 HB3 ASN 526 -2.095 2.632 -11.692 194 HD21 ASN 526 HD21 ASN 526 -0.555 0.214 -11.681 195 HD22 ASN 526 HD22 ASN 526 0.990 0.599 -12.365 196 H LEU 527 HN LEU 527 -1.787 5.156 -8.043 197 HA LEU 527 HA LEU 527 -4.616 4.516 -7.983 198 HB2 LEU 527 HB2 LEU 527 -2.846 6.155 -6.177 199 HB3 LEU 527 HB1 LEU 527 -4.578 6.035 -5.952 200 HG LEU 527 HG LEU 527 -2.712 3.663 -5.912 201 HD11 LEU 527 HD11 LEU 527 -3.018 3.708 -3.476 202 HD12 LEU 527 HD12 LEU 527 -3.890 5.236 -3.626 203 HD13 LEU 527 HD13 LEU 527 -2.186 5.147 -4.066 204 HD21 LEU 527 HD21 LEU 527 -5.016 3.134 -6.497 205 HD22 LEU 527 HD22 LEU 527 -5.586 4.002 -5.074 206 HD23 LEU 527 HD23 LEU 527 -4.623 2.537 -4.886 207 HA PRO 528 HA PRO 528 -5.456 8.089 -10.482 208 HB2 PRO 528 HB2 PRO 528 -8.272 7.783 -9.860 209 HB3 PRO 528 HB1 PRO 528 -7.441 7.486 -11.384 210 HG2 PRO 528 HG2 PRO 528 -8.524 5.518 -9.809 211 HG3 PRO 528 HG3 PRO 528 -7.204 5.262 -10.961 212 HD2 PRO 528 HD2 PRO 528 -7.116 5.514 -8.000 213 HD3 PRO 528 HD3 PRO 528 -6.106 4.541 -9.088 214 H GLU 529 HN GLU 529 -5.495 10.191 -9.979 215 HA GLU 529 HA GLU 529 -5.899 11.105 -7.324 216 HB2 GLU 529 HB2 GLU 529 -4.384 12.252 -8.849 217 HB3 GLU 529 HB3 GLU 529 -5.725 12.629 -9.928 218 HG2 GLU 529 HG2 GLU 529 -6.733 13.999 -8.141 219 HG3 GLU 529 HG3 GLU 529 -5.326 13.670 -7.131 220 H GLY 530 HN GLY 530 -7.666 12.180 -6.401 221 HA2 GLY 530 HA2 GLY 530 -9.899 12.818 -6.252 222 HA3 GLY 530 HA3 GLY 530 -10.085 12.476 -7.970 223 H SER 531 HN SER 531 -8.510 9.967 -6.437 224 HA SER 531 HA SER 531 -10.875 8.464 -5.758 225 HB2 SER 531 HB2 SER 531 -9.095 7.603 -8.045 226 HB3 SER 531 HB3 SER 531 -10.469 6.701 -7.406 227 HG SER 531 HG SER 531 -11.283 9.166 -7.999 228 H CYS 532 HN CYS 532 -7.950 9.387 -4.987 229 HA CYS 532 HA CYS 532 -6.820 6.828 -4.166 230 HB2 CYS 532 HB2 CYS 532 -5.841 9.657 -3.685 231 HB3 CYS 532 HB3 CYS 532 -4.952 8.193 -3.286 232 HG CYS 532 HG CYS 532 -5.863 8.467 -6.506 233 H THR 533 HN THR 533 -8.429 6.158 -2.661 234 HA THR 533 HA THR 533 -8.759 7.913 -0.326 235 HB THR 533 HB THR 533 -10.692 6.487 0.239 236 HG1 THR 533 HG1 THR 533 -11.333 4.875 -1.281 237 HG21 THR 533 HG21 THR 533 -11.054 8.448 -1.186 238 HG22 THR 533 HG22 THR 533 -12.159 7.142 -1.609 239 HG23 THR 533 HG23 THR 533 -10.749 7.466 -2.619 240 H GLU 534 HN GLU 534 -8.412 7.086 1.743 241 HA GLU 534 HA GLU 534 -6.281 5.237 1.965 242 HB2 GLU 534 HB2 GLU 534 -8.058 6.225 4.196 243 HB3 GLU 534 HB3 GLU 534 -6.429 5.585 4.325 244 HG2 GLU 534 HG2 GLU 534 -5.548 7.507 3.086 245 HG3 GLU 534 HG3 GLU 534 -7.189 8.139 2.926 246 H ASN 535 HN ASN 535 -9.712 5.060 2.309 247 HA ASN 535 HA ASN 535 -9.932 2.636 3.700 248 HB2 ASN 535 HB2 ASN 535 -11.805 4.231 3.310 249 HB3 ASN 535 HB3 ASN 535 -11.836 3.739 1.621 250 HD21 ASN 535 HD21 ASN 535 -13.864 2.894 1.626 251 HD22 ASN 535 HD22 ASN 535 -14.308 1.478 2.513 252 H ASP 536 HN ASP 536 -9.821 3.263 0.171 253 HA ASP 536 HA ASP 536 -10.398 0.527 -0.457 254 HB2 ASP 536 HB2 ASP 536 -9.620 2.916 -2.099 255 HB3 ASP 536 HB3 ASP 536 -9.715 1.309 -2.814 256 H VAL 537 HN VAL 537 -7.542 2.514 -0.439 257 HA VAL 537 HA VAL 537 -5.705 0.693 -1.539 258 HB VAL 537 HB VAL 537 -5.140 2.791 0.586 259 HG11 VAL 537 HG11 VAL 537 -3.295 1.593 -1.477 260 HG12 VAL 537 HG12 VAL 537 -3.299 1.177 0.239 261 HG13 VAL 537 HG13 VAL 537 -2.881 2.815 -0.273 262 HG21 VAL 537 HG21 VAL 537 -5.178 2.971 -2.424 263 HG22 VAL 537 HG22 VAL 537 -4.567 4.223 -1.344 264 HG23 VAL 537 HG23 VAL 537 -6.273 3.778 -1.299 265 H ILE 538 HN ILE 538 -6.556 1.305 1.836 266 HA ILE 538 HA ILE 538 -5.102 -0.881 2.882 267 HB ILE 538 HB ILE 538 -7.403 0.678 4.050 268 HG12 ILE 538 HG12 ILE 538 -4.409 0.770 4.455 269 HG13 ILE 538 HG13 ILE 538 -5.414 2.013 3.717 270 HG21 ILE 538 HG21 ILE 538 -7.409 -1.448 5.119 271 HG22 ILE 538 HG22 ILE 538 -6.606 -0.322 6.212 272 HG23 ILE 538 HG23 ILE 538 -5.654 -1.453 5.252 273 HD11 ILE 538 HD11 ILE 538 -4.800 2.625 5.970 274 HD12 ILE 538 HD12 ILE 538 -5.509 1.133 6.588 275 HD13 ILE 538 HD13 ILE 538 -6.540 2.362 5.855 276 H ASN 539 HN ASN 539 -8.392 -0.556 1.617 277 HA ASN 539 HA ASN 539 -9.464 -2.978 2.453 278 HB2 ASN 539 HB2 ASN 539 -9.878 -1.532 -0.169 279 HB3 ASN 539 HB3 ASN 539 -10.767 -2.977 0.268 280 HD21 ASN 539 HD21 ASN 539 -10.857 -2.017 3.126 281 HD22 ASN 539 HD22 ASN 539 -12.079 -0.812 3.133 282 H LEU 540 HN LEU 540 -7.103 -2.307 -0.031 283 HA LEU 540 HA LEU 540 -7.124 -4.966 -1.089 284 HB2 LEU 540 HB2 LEU 540 -5.018 -2.807 -1.193 285 HB3 LEU 540 HB1 LEU 540 -4.989 -4.286 -2.133 286 HG LEU 540 HG LEU 540 -7.047 -2.093 -2.363 287 HD11 LEU 540 HD11 LEU 540 -4.770 -2.909 -4.162 288 HD12 LEU 540 HD12 LEU 540 -4.894 -1.418 -3.227 289 HD13 LEU 540 HD13 LEU 540 -6.011 -1.720 -4.556 290 HD21 LEU 540 HD21 LEU 540 -7.828 -3.341 -4.328 291 HD22 LEU 540 HD22 LEU 540 -8.018 -4.271 -2.842 292 HD23 LEU 540 HD23 LEU 540 -6.694 -4.637 -3.947 293 H GLY 541 HN GLY 541 -5.143 -3.163 1.242 294 HA2 GLY 541 HA2 GLY 541 -3.294 -5.186 1.784 295 HA3 GLY 541 HA3 GLY 541 -3.684 -3.845 2.846 296 H LEU 542 HN LEU 542 -6.232 -4.420 3.665 297 HA LEU 542 HA LEU 542 -5.506 -5.948 5.870 298 HB2 LEU 542 HB2 LEU 542 -8.136 -4.944 4.907 299 HB3 LEU 542 HB1 LEU 542 -8.036 -5.943 6.343 300 HG LEU 542 HG LEU 542 -6.496 -3.374 5.996 301 HD11 LEU 542 HD11 LEU 542 -8.174 -2.384 7.489 302 HD12 LEU 542 HD12 LEU 542 -9.119 -3.868 7.391 303 HD13 LEU 542 HD13 LEU 542 -8.869 -2.888 5.950 304 HD21 LEU 542 HD21 LEU 542 -5.557 -4.966 7.600 305 HD22 LEU 542 HD22 LEU 542 -7.114 -5.057 8.422 306 HD23 LEU 542 HD23 LEU 542 -6.209 -3.543 8.411 307 HA PRO 543 HA PRO 543 -8.387 -9.540 4.219 308 HB2 PRO 543 HB2 PRO 543 -7.688 -9.342 1.331 309 HB3 PRO 543 HB1 PRO 543 -9.220 -9.796 2.092 310 HG2 PRO 543 HG2 PRO 543 -8.981 -7.405 1.003 311 HG3 PRO 543 HG3 PRO 543 -9.772 -7.570 2.587 312 HD2 PRO 543 HD2 PRO 543 -6.958 -6.713 1.962 313 HD3 PRO 543 HD3 PRO 543 -8.131 -5.976 3.073 314 H PHE 544 HN PHE 544 -5.226 -8.711 2.830 315 HA PHE 544 HA PHE 544 -4.463 -11.535 2.972 316 HB2 PHE 544 HB2 PHE 544 -2.987 -9.151 1.851 317 HB3 PHE 544 HB3 PHE 544 -2.374 -10.797 1.851 318 HD1 PHE 544 HD1 PHE 544 -3.690 -12.548 0.582 319 HD2 PHE 544 HD2 PHE 544 -4.348 -8.369 0.129 320 HE1 PHE 544 HE1 PHE 544 -4.798 -12.961 -1.575 321 HE2 PHE 544 HE2 PHE 544 -5.457 -8.774 -2.032 322 HZ PHE 544 HZ PHE 544 -5.658 -11.036 -2.905 323 H GLY 545 HN GLY 545 -4.298 -8.707 4.841 324 HA2 GLY 545 HA2 GLY 545 -2.935 -9.901 6.961 325 HA3 GLY 545 HA3 GLY 545 -1.745 -9.012 6.023 326 H LYS 546 HN LYS 546 -2.521 -8.510 8.729 327 HA LYS 546 HA LYS 546 -4.312 -6.355 8.954 328 HB2 LYS 546 HB2 LYS 546 -3.675 -7.675 10.880 329 HB3 LYS 546 HB3 LYS 546 -1.996 -7.192 10.704 330 HG2 LYS 546 HG2 LYS 546 -2.615 -4.878 11.211 331 HG3 LYS 546 HG3 LYS 546 -4.296 -5.380 11.407 332 HD2 LYS 546 HD2 LYS 546 -3.692 -6.807 13.261 333 HD3 LYS 546 HD3 LYS 546 -1.983 -6.444 13.024 334 HE2 LYS 546 HE2 LYS 546 -2.419 -4.091 13.541 335 HE3 LYS 546 HE3 LYS 546 -4.125 -4.462 13.786 336 HZ1 LYS 546 HZ1 LYS 546 -2.911 -4.341 15.877 337 HZ2 LYS 546 HZ2 LYS 546 -1.880 -5.584 15.376 338 HZ3 LYS 546 HZ3 LYS 546 -3.523 -5.895 15.623 339 H VAL 547 HN VAL 547 -4.138 -4.306 8.427 340 HA VAL 547 HA VAL 547 -1.601 -3.178 7.588 341 HB VAL 547 HB VAL 547 -4.426 -2.101 7.549 342 HG11 VAL 547 HG11 VAL 547 -3.619 -0.261 6.215 343 HG12 VAL 547 HG12 VAL 547 -1.966 -0.876 6.306 344 HG13 VAL 547 HG13 VAL 547 -2.768 -0.282 7.760 345 HG21 VAL 547 HG21 VAL 547 -2.628 -3.236 5.423 346 HG22 VAL 547 HG22 VAL 547 -4.119 -2.369 5.080 347 HG23 VAL 547 HG23 VAL 547 -4.170 -3.875 5.991 348 H THR 548 HN THR 548 -0.323 -2.291 9.089 349 HA THR 548 HA THR 548 -1.471 -1.176 11.508 350 HB THR 548 HB THR 548 0.973 -0.867 12.126 351 HG1 THR 548 HG1 THR 548 2.293 -1.094 10.478 352 HG21 THR 548 HG21 THR 548 -0.346 -2.761 12.927 353 HG22 THR 548 HG22 THR 548 1.306 -3.261 12.569 354 HG23 THR 548 HG23 THR 548 0.005 -3.646 11.443 355 H ASN 549 HN ASN 549 0.233 -0.084 8.649 356 HA ASN 549 HA ASN 549 -0.536 2.669 9.291 357 HB2 ASN 549 HB2 ASN 549 2.288 1.798 8.698 358 HB3 ASN 549 HB3 ASN 549 1.750 3.438 8.395 359 HD21 ASN 549 HD21 ASN 549 3.810 2.645 10.126 360 HD22 ASN 549 HD22 ASN 549 3.355 3.152 11.713 361 H TYR 550 HN TYR 550 -0.344 4.128 7.452 362 HA TYR 550 HA TYR 550 -0.039 3.030 4.818 363 HB2 TYR 550 HB2 TYR 550 -2.368 3.569 4.125 364 HB3 TYR 550 HB3 TYR 550 -2.287 2.248 5.286 365 HD1 TYR 550 HD1 TYR 550 -4.031 5.095 4.434 366 HD2 TYR 550 HD2 TYR 550 -2.451 3.139 7.859 367 HE1 TYR 550 HE1 TYR 550 -5.637 6.285 5.866 368 HE2 TYR 550 HE2 TYR 550 -4.057 4.324 9.292 369 HH TYR 550 HH TYR 550 -6.676 6.174 7.953 370 H ILE 551 HN ILE 551 -0.039 4.679 3.193 371 HA ILE 551 HA ILE 551 -0.194 7.456 4.092 372 HB ILE 551 HB ILE 551 2.224 6.341 2.659 373 HG12 ILE 551 HG12 ILE 551 2.075 7.352 5.510 374 HG13 ILE 551 HG13 ILE 551 2.126 5.650 5.066 375 HG21 ILE 551 HG21 ILE 551 3.181 8.567 3.014 376 HG22 ILE 551 HG22 ILE 551 1.663 9.091 3.744 377 HG23 ILE 551 HG23 ILE 551 1.708 8.621 2.045 378 HD11 ILE 551 HD11 ILE 551 4.303 6.455 5.770 379 HD12 ILE 551 HD12 ILE 551 4.273 7.681 4.503 380 HD13 ILE 551 HD13 ILE 551 4.326 5.970 4.075 381 H LEU 552 HN LEU 552 -1.179 8.624 2.449 382 HA LEU 552 HA LEU 552 -1.300 7.262 -0.148 383 HB2 LEU 552 HB2 LEU 552 -3.181 9.240 1.116 384 HB3 LEU 552 HB1 LEU 552 -3.283 8.735 -0.560 385 HG LEU 552 HG LEU 552 -3.761 7.095 1.910 386 HD11 LEU 552 HD11 LEU 552 -5.560 8.527 1.075 387 HD12 LEU 552 HD12 LEU 552 -5.944 6.814 0.930 388 HD13 LEU 552 HD13 LEU 552 -5.451 7.730 -0.495 389 HD21 LEU 552 HD21 LEU 552 -2.452 5.731 0.363 390 HD22 LEU 552 HD22 LEU 552 -3.569 6.129 -0.943 391 HD23 LEU 552 HD23 LEU 552 -4.126 5.180 0.437 392 H MET 553 HN MET 553 -0.279 8.204 -1.820 393 HA MET 553 HA MET 553 0.712 10.953 -1.367 394 HB2 MET 553 HB2 MET 553 1.730 9.013 -3.448 395 HB3 MET 553 HB3 MET 553 2.503 10.483 -2.879 396 HG2 MET 553 HG2 MET 553 3.179 9.500 -0.882 397 HG3 MET 553 HG3 MET 553 2.020 8.179 -1.032 398 HE1 MET 553 HE1 MET 553 4.395 9.646 -3.791 399 HE2 MET 553 HE2 MET 553 5.791 8.576 -3.667 400 HE3 MET 553 HE3 MET 553 5.413 9.688 -2.353 401 H LYS 554 HN LYS 554 -1.549 11.487 -1.980 402 HA LYS 554 HA LYS 554 -2.678 11.329 -4.388 403 HB2 LYS 554 HB2 LYS 554 -2.555 14.015 -3.059 404 HB3 LYS 554 HB3 LYS 554 -3.906 13.250 -3.884 405 HG2 LYS 554 HG2 LYS 554 -2.786 12.502 -1.188 406 HG3 LYS 554 HG3 LYS 554 -4.317 13.312 -1.510 407 HD2 LYS 554 HD2 LYS 554 -5.066 11.286 -2.743 408 HD3 LYS 554 HD3 LYS 554 -3.563 10.480 -2.267 409 HE2 LYS 554 HE2 LYS 554 -5.363 9.847 -0.772 410 HE3 LYS 554 HE3 LYS 554 -4.156 10.795 0.091 411 HZ1 LYS 554 HZ1 LYS 554 -6.734 11.846 -0.945 412 HZ2 LYS 554 HZ2 LYS 554 -5.592 12.718 -0.055 413 HZ3 LYS 554 HZ3 LYS 554 -6.423 11.436 0.664 414 H SER 555 HN SER 555 0.276 13.064 -3.758 415 HA SER 555 HA SER 555 0.039 14.916 -5.892 416 HB2 SER 555 HB2 SER 555 2.449 15.324 -5.416 417 HB3 SER 555 HB3 SER 555 1.430 15.411 -3.978 418 HG SER 555 HG SER 555 3.533 14.066 -4.059 419 H THR 556 HN THR 556 1.695 11.786 -5.520 420 HA THR 556 HA THR 556 2.564 11.970 -8.314 421 HB THR 556 HB THR 556 4.103 10.100 -7.718 422 HG1 THR 556 HG1 THR 556 4.168 9.359 -5.674 423 HG21 THR 556 HG21 THR 556 5.631 11.459 -6.372 424 HG22 THR 556 HG22 THR 556 4.312 12.564 -5.988 425 HG23 THR 556 HG23 THR 556 4.881 12.415 -7.651 426 H ASN 557 HN ASN 557 -0.081 10.861 -6.929 427 HA ASN 557 HA ASN 557 -1.622 9.228 -7.321 428 HB2 ASN 557 HB2 ASN 557 0.031 8.794 -9.819 429 HB3 ASN 557 HB3 ASN 557 -1.531 8.045 -9.518 430 HD21 ASN 557 HD21 ASN 557 -3.386 9.297 -9.576 431 HD22 ASN 557 HD22 ASN 557 -3.406 10.875 -10.296 432 H GLN 558 HN GLN 558 0.393 8.629 -5.594 433 HA GLN 558 HA GLN 558 0.815 5.747 -5.985 434 HB2 GLN 558 HB2 GLN 558 2.909 7.757 -5.119 435 HB3 GLN 558 HB3 GLN 558 3.108 6.011 -5.028 436 HG2 GLN 558 HG2 GLN 558 3.000 5.821 -7.419 437 HG3 GLN 558 HG3 GLN 558 2.609 7.534 -7.574 438 HE21 GLN 558 HE21 GLN 558 4.389 7.935 -8.869 439 HE22 GLN 558 HE22 GLN 558 6.003 7.957 -8.242 440 H ALA 559 HN ALA 559 1.426 4.684 -3.801 441 HA ALA 559 HA ALA 559 0.923 6.272 -1.460 442 HB1 ALA 559 HB1 ALA 559 -1.044 4.140 -2.253 443 HB2 ALA 559 HB2 ALA 559 -1.351 5.878 -2.106 444 HB3 ALA 559 HB3 ALA 559 -0.974 4.920 -0.667 445 H PHE 560 HN PHE 560 1.082 4.995 0.520 446 HA PHE 560 HA PHE 560 2.736 2.565 0.186 447 HB2 PHE 560 HB2 PHE 560 2.924 4.700 2.308 448 HB3 PHE 560 HB3 PHE 560 3.734 3.152 2.419 449 HD1 PHE 560 HD1 PHE 560 5.528 2.581 0.829 450 HD2 PHE 560 HD2 PHE 560 3.789 6.460 0.988 451 HE1 PHE 560 HE1 PHE 560 7.476 3.496 -0.357 452 HE2 PHE 560 HE2 PHE 560 5.734 7.380 -0.207 453 HZ PHE 560 HZ PHE 560 7.581 5.896 -0.875 454 H LEU 561 HN LEU 561 2.450 0.884 1.608 455 HA LEU 561 HA LEU 561 0.185 1.032 3.468 456 HB2 LEU 561 HB2 LEU 561 -0.622 0.121 1.334 457 HB3 LEU 561 HB1 LEU 561 0.625 -1.100 1.372 458 HG LEU 561 HG LEU 561 -0.431 -2.015 3.449 459 HD11 LEU 561 HD11 LEU 561 -2.617 -0.075 2.707 460 HD12 LEU 561 HD12 LEU 561 -1.626 -0.026 4.166 461 HD13 LEU 561 HD13 LEU 561 -2.751 -1.359 3.907 462 HD21 LEU 561 HD21 LEU 561 -2.340 -1.943 1.124 463 HD22 LEU 561 HD22 LEU 561 -2.032 -3.262 2.254 464 HD23 LEU 561 HD23 LEU 561 -0.809 -2.819 1.066 465 H GLU 562 HN GLU 562 0.910 0.429 5.393 466 HA GLU 562 HA GLU 562 3.231 -1.359 5.551 467 HB2 GLU 562 HB2 GLU 562 3.158 0.832 6.846 468 HB3 GLU 562 HB3 GLU 562 1.939 0.079 7.863 469 HG2 GLU 562 HG2 GLU 562 3.544 -1.706 8.414 470 HG3 GLU 562 HG3 GLU 562 4.768 -0.865 7.466 471 H MET 563 HN MET 563 3.113 -3.357 6.204 472 HA MET 563 HA MET 563 0.523 -4.367 7.157 473 HB2 MET 563 HB2 MET 563 2.667 -5.845 5.614 474 HB3 MET 563 HB3 MET 563 1.051 -6.432 5.999 475 HG2 MET 563 HG2 MET 563 0.029 -4.913 4.527 476 HG3 MET 563 HG3 MET 563 1.497 -3.954 4.382 477 HE1 MET 563 HE1 MET 563 1.114 -5.251 0.752 478 HE2 MET 563 HE2 MET 563 1.403 -3.843 1.774 479 HE3 MET 563 HE3 MET 563 -0.144 -4.688 1.853 480 H ALA 564 HN ALA 564 0.619 -6.141 8.668 481 HA ALA 564 HA ALA 564 2.404 -5.412 10.778 482 HB1 ALA 564 HB1 ALA 564 0.059 -5.974 11.192 483 HB2 ALA 564 HB2 ALA 564 1.148 -6.999 12.127 484 HB3 ALA 564 HB3 ALA 564 0.368 -7.633 10.678 485 H TYR 565 HN TYR 565 2.553 -7.736 8.307 486 HA TYR 565 HA TYR 565 4.899 -8.950 9.552 487 HB2 TYR 565 HB2 TYR 565 2.674 -10.597 8.327 488 HB3 TYR 565 HB3 TYR 565 4.174 -11.213 9.008 489 HD1 TYR 565 HD1 TYR 565 0.799 -10.208 9.672 490 HD2 TYR 565 HD2 TYR 565 4.562 -10.967 11.499 491 HE1 TYR 565 HE1 TYR 565 -0.313 -10.403 11.854 492 HE2 TYR 565 HE2 TYR 565 3.462 -11.168 13.691 493 HH TYR 565 HH TYR 565 0.179 -11.566 14.068 494 H THR 566 HN THR 566 6.400 -9.733 8.070 495 HA THR 566 HA THR 566 6.400 -8.472 5.523 496 HB THR 566 HB THR 566 8.479 -8.986 6.798 497 HG1 THR 566 HG1 THR 566 9.618 -9.187 4.966 498 HG21 THR 566 HG21 THR 566 7.939 -11.243 7.551 499 HG22 THR 566 HG22 THR 566 9.452 -11.230 6.644 500 HG23 THR 566 HG23 THR 566 7.972 -11.818 5.885 501 H GLU 567 HN GLU 567 5.428 -11.601 6.665 502 HA GLU 567 HA GLU 567 5.263 -13.045 4.284 503 HB2 GLU 567 HB2 GLU 567 3.634 -14.431 5.425 504 HB3 GLU 567 HB3 GLU 567 4.912 -13.991 6.550 505 HG2 GLU 567 HG2 GLU 567 3.389 -12.127 7.343 506 HG3 GLU 567 HG3 GLU 567 2.118 -12.904 6.403 507 H ALA 568 HN ALA 568 3.250 -10.515 5.577 508 HA ALA 568 HA ALA 568 0.997 -11.032 3.876 509 HB1 ALA 568 HB1 ALA 568 0.722 -9.942 6.056 510 HB2 ALA 568 HB2 ALA 568 0.124 -8.926 4.745 511 HB3 ALA 568 HB3 ALA 568 1.683 -8.576 5.491 512 H ALA 569 HN ALA 569 3.751 -8.839 3.915 513 HA ALA 569 HA ALA 569 2.952 -7.182 1.803 514 HB1 ALA 569 HB1 ALA 569 5.295 -6.475 1.749 515 HB2 ALA 569 HB2 ALA 569 5.725 -7.835 2.787 516 HB3 ALA 569 HB3 ALA 569 4.678 -6.555 3.399 517 H GLN 570 HN GLN 570 5.006 -10.075 1.872 518 HA GLN 570 HA GLN 570 5.641 -9.919 -0.896 519 HB2 GLN 570 HB2 GLN 570 6.547 -12.186 -0.637 520 HB3 GLN 570 HB3 GLN 570 7.109 -11.112 0.634 521 HG2 GLN 570 HG2 GLN 570 5.493 -12.077 2.178 522 HG3 GLN 570 HG3 GLN 570 4.904 -13.141 0.901 523 HE21 GLN 570 HE21 GLN 570 5.432 -15.002 1.997 524 HE22 GLN 570 HE22 GLN 570 7.065 -15.515 2.239 525 H ALA 571 HN ALA 571 3.139 -11.530 0.956 526 HA ALA 571 HA ALA 571 2.183 -13.226 -1.074 527 HB1 ALA 571 HB1 ALA 571 0.665 -12.038 1.243 528 HB2 ALA 571 HB2 ALA 571 1.629 -13.513 1.294 529 HB3 ALA 571 HB3 ALA 571 0.183 -13.440 0.288 530 H MET 572 HN MET 572 1.240 -9.942 -0.108 531 HA MET 572 HA MET 572 -0.886 -9.753 -1.980 532 HB2 MET 572 HB2 MET 572 0.670 -7.443 -0.816 533 HB3 MET 572 HB3 MET 572 -0.969 -7.413 -1.454 534 HG2 MET 572 HG2 MET 572 -1.544 -9.063 0.382 535 HG3 MET 572 HG3 MET 572 0.021 -8.662 1.080 536 HE1 MET 572 HE1 MET 572 -1.827 -6.577 3.600 537 HE2 MET 572 HE2 MET 572 -0.344 -7.459 3.242 538 HE3 MET 572 HE3 MET 572 -1.901 -8.276 3.132 539 H VAL 573 HN VAL 573 2.530 -8.798 -2.065 540 HA VAL 573 HA VAL 573 2.486 -7.499 -4.545 541 HB VAL 573 HB VAL 573 4.724 -9.091 -3.269 542 HG11 VAL 573 HG11 VAL 573 6.225 -7.843 -4.765 543 HG12 VAL 573 HG12 VAL 573 4.822 -7.148 -5.577 544 HG13 VAL 573 HG13 VAL 573 5.118 -8.885 -5.657 545 HG21 VAL 573 HG21 VAL 573 4.050 -7.234 -1.895 546 HG22 VAL 573 HG22 VAL 573 4.091 -6.145 -3.280 547 HG23 VAL 573 HG23 VAL 573 5.589 -6.847 -2.667 548 H GLN 574 HN GLN 574 3.099 -10.909 -3.733 549 HA GLN 574 HA GLN 574 3.556 -11.795 -6.357 550 HB2 GLN 574 HB2 GLN 574 2.474 -13.298 -3.970 551 HB3 GLN 574 HB3 GLN 574 2.979 -14.057 -5.472 552 HG2 GLN 574 HG2 GLN 574 4.756 -12.440 -3.662 553 HG3 GLN 574 HG3 GLN 574 4.674 -14.198 -3.707 554 HE21 GLN 574 HE21 GLN 574 6.790 -14.444 -4.270 555 HE22 GLN 574 HE22 GLN 574 7.407 -14.036 -5.824 556 H TYR 575 HN TYR 575 0.614 -11.361 -4.523 557 HA TYR 575 HA TYR 575 -1.076 -12.782 -6.327 558 HB2 TYR 575 HB2 TYR 575 -1.744 -12.355 -3.996 559 HB3 TYR 575 HB3 TYR 575 -1.811 -10.628 -4.329 560 HD1 TYR 575 HD1 TYR 575 -3.729 -9.655 -5.353 561 HD2 TYR 575 HD2 TYR 575 -3.377 -13.888 -5.104 562 HE1 TYR 575 HE1 TYR 575 -6.074 -9.887 -6.054 563 HE2 TYR 575 HE2 TYR 575 -5.720 -14.128 -5.803 564 HH TYR 575 HH TYR 575 -7.797 -12.779 -5.778 565 H TYR 576 HN TYR 576 -0.477 -9.312 -5.803 566 HA TYR 576 HA TYR 576 -2.092 -8.587 -8.038 567 HB2 TYR 576 HB2 TYR 576 -0.224 -6.934 -6.340 568 HB3 TYR 576 HB3 TYR 576 -1.278 -6.273 -7.590 569 HD1 TYR 576 HD1 TYR 576 -3.818 -7.204 -7.333 570 HD2 TYR 576 HD2 TYR 576 -1.013 -6.755 -4.178 571 HE1 TYR 576 HE1 TYR 576 -5.671 -7.029 -5.727 572 HE2 TYR 576 HE2 TYR 576 -2.854 -6.588 -2.556 573 HH TYR 576 HH TYR 576 -6.092 -7.346 -3.373 574 H GLN 577 HN GLN 577 1.200 -9.543 -7.801 575 HA GLN 577 HA GLN 577 2.174 -8.309 -10.157 576 HB2 GLN 577 HB2 GLN 577 2.834 -10.960 -8.866 577 HB3 GLN 577 HB3 GLN 577 3.630 -10.406 -10.328 578 HG2 GLN 577 HG2 GLN 577 3.634 -8.821 -7.781 579 HG3 GLN 577 HG3 GLN 577 4.844 -10.046 -8.146 580 HE21 GLN 577 HE21 GLN 577 6.529 -8.628 -8.189 581 HE22 GLN 577 HE22 GLN 577 6.751 -7.460 -9.445 582 H GLU 578 HN GLU 578 0.469 -11.340 -9.573 583 HA GLU 578 HA GLU 578 0.214 -11.861 -12.408 584 HB2 GLU 578 HB2 GLU 578 -0.958 -13.374 -10.070 585 HB3 GLU 578 HB3 GLU 578 -0.848 -13.940 -11.732 586 HG2 GLU 578 HG2 GLU 578 1.465 -13.361 -9.895 587 HG3 GLU 578 HG3 GLU 578 0.866 -14.954 -10.354 588 H LYS 579 HN LYS 579 -1.913 -10.942 -9.713 589 HA LYS 579 HA LYS 579 -3.943 -10.180 -11.701 590 HB2 LYS 579 HB2 LYS 579 -4.435 -11.415 -8.980 591 HB3 LYS 579 HB3 LYS 579 -5.682 -10.821 -10.068 592 HG2 LYS 579 HG2 LYS 579 -5.028 -12.520 -11.718 593 HG3 LYS 579 HG3 LYS 579 -3.816 -13.127 -10.587 594 HD2 LYS 579 HD2 LYS 579 -5.584 -13.635 -8.970 595 HD3 LYS 579 HD3 LYS 579 -6.794 -13.028 -10.101 596 HE2 LYS 579 HE2 LYS 579 -6.732 -15.435 -10.215 597 HE3 LYS 579 HE3 LYS 579 -6.102 -14.764 -11.716 598 HZ1 LYS 579 HZ1 LYS 579 -4.771 -16.622 -10.880 599 HZ2 LYS 579 HZ2 LYS 579 -4.436 -15.753 -9.468 600 HZ3 LYS 579 HZ3 LYS 579 -3.873 -15.191 -10.959 601 HA PRO 580 HA PRO 580 -2.764 -6.468 -9.259 602 HB2 PRO 580 HB2 PRO 580 -3.506 -4.695 -11.195 603 HB3 PRO 580 HB1 PRO 580 -1.925 -5.485 -11.151 604 HG2 PRO 580 HG2 PRO 580 -4.347 -6.182 -12.760 605 HG3 PRO 580 HG3 PRO 580 -2.646 -6.146 -13.258 606 HD2 PRO 580 HD2 PRO 580 -3.920 -8.445 -12.654 607 HD3 PRO 580 HD3 PRO 580 -2.196 -8.201 -12.310 608 H ALA 581 HN ALA 581 -4.020 -4.708 -8.412 609 HA ALA 581 HA ALA 581 -6.852 -5.371 -8.204 610 HB1 ALA 581 HB1 ALA 581 -5.558 -4.901 -6.164 611 HB2 ALA 581 HB2 ALA 581 -6.890 -3.766 -6.376 612 HB3 ALA 581 HB3 ALA 581 -5.242 -3.268 -6.754 613 H ILE 582 HN ILE 582 -8.499 -4.087 -8.941 614 HA ILE 582 HA ILE 582 -7.642 -2.006 -10.828 615 HB ILE 582 HB ILE 582 -10.277 -3.475 -10.808 616 HG12 ILE 582 HG12 ILE 582 -7.833 -4.037 -12.506 617 HG13 ILE 582 HG13 ILE 582 -8.337 -5.015 -11.131 618 HG21 ILE 582 HG21 ILE 582 -10.271 -1.317 -11.966 619 HG22 ILE 582 HG22 ILE 582 -10.460 -2.655 -13.098 620 HG23 ILE 582 HG23 ILE 582 -8.901 -1.845 -12.944 621 HD11 ILE 582 HD11 ILE 582 -10.429 -5.539 -12.283 622 HD12 ILE 582 HD12 ILE 582 -9.016 -6.036 -13.214 623 HD13 ILE 582 HD13 ILE 582 -9.901 -4.577 -13.664 624 H ILE 583 HN ILE 583 -7.954 0.009 -10.219 625 HA ILE 583 HA ILE 583 -10.503 0.691 -8.901 626 HB ILE 583 HB ILE 583 -7.800 1.988 -8.507 627 HG12 ILE 583 HG12 ILE 583 -8.287 -0.006 -7.111 628 HG13 ILE 583 HG13 ILE 583 -8.117 1.465 -6.158 629 HG21 ILE 583 HG21 ILE 583 -9.496 3.709 -8.799 630 HG22 ILE 583 HG22 ILE 583 -8.926 3.660 -7.130 631 HG23 ILE 583 HG23 ILE 583 -10.490 2.958 -7.551 632 HD11 ILE 583 HD11 ILE 583 -10.691 0.108 -6.915 633 HD12 ILE 583 HD12 ILE 583 -10.565 1.632 -6.035 634 HD13 ILE 583 HD13 ILE 583 -9.939 0.145 -5.320 635 H ASN 584 HN ASN 584 -11.754 1.596 -10.393 636 HA ASN 584 HA ASN 584 -12.485 2.827 -12.143 637 HB2 ASN 584 HB2 ASN 584 -10.257 4.626 -11.185 638 HB3 ASN 584 HB3 ASN 584 -11.395 5.088 -12.448 639 HD21 ASN 584 HD21 ASN 584 -10.959 6.295 -9.856 640 HD22 ASN 584 HD22 ASN 584 -12.473 6.224 -9.028 641 H GLY 585 HN GLY 585 -10.846 0.730 -12.768 642 HA2 GLY 585 HA2 GLY 585 -10.157 -0.128 -14.786 643 HA3 GLY 585 HA3 GLY 585 -10.144 1.493 -15.451 644 H GLU 586 HN GLU 586 -8.346 1.605 -12.662 645 HA GLU 586 HA GLU 586 -5.887 1.357 -14.228 646 HB2 GLU 586 HB2 GLU 586 -6.364 2.608 -11.518 647 HB3 GLU 586 HB3 GLU 586 -4.836 2.614 -12.386 648 HG2 GLU 586 HG2 GLU 586 -7.388 3.916 -13.303 649 HG3 GLU 586 HG3 GLU 586 -5.999 4.739 -12.597 650 H LYS 587 HN LYS 587 -4.635 -0.322 -14.025 651 HA LYS 587 HA LYS 587 -4.959 -2.320 -12.015 652 HB2 LYS 587 HB2 LYS 587 -2.568 -1.965 -13.819 653 HB3 LYS 587 HB3 LYS 587 -3.134 -3.452 -13.076 654 HG2 LYS 587 HG2 LYS 587 -4.586 -1.920 -15.220 655 HG3 LYS 587 HG3 LYS 587 -3.599 -3.355 -15.479 656 HD2 LYS 587 HD2 LYS 587 -5.119 -4.618 -13.991 657 HD3 LYS 587 HD3 LYS 587 -6.132 -3.179 -13.852 658 HE2 LYS 587 HE2 LYS 587 -6.475 -3.196 -16.279 659 HE3 LYS 587 HE3 LYS 587 -5.478 -4.643 -16.406 660 HZ1 LYS 587 HZ1 LYS 587 -7.097 -5.788 -14.975 661 HZ2 LYS 587 HZ2 LYS 587 -7.781 -5.250 -16.421 662 HZ3 LYS 587 HZ3 LYS 587 -8.074 -4.405 -14.989 663 H LEU 588 HN LEU 588 -4.378 -1.954 -9.951 664 HA LEU 588 HA LEU 588 -2.292 -0.079 -9.299 665 HB2 LEU 588 HB2 LEU 588 -3.844 -1.925 -7.493 666 HB3 LEU 588 HB1 LEU 588 -2.882 -0.548 -6.993 667 HG LEU 588 HG LEU 588 -5.446 -0.461 -8.581 668 HD11 LEU 588 HD11 LEU 588 -4.750 0.320 -5.762 669 HD12 LEU 588 HD12 LEU 588 -5.874 -0.933 -6.289 670 HD13 LEU 588 HD13 LEU 588 -6.250 0.765 -6.573 671 HD21 LEU 588 HD21 LEU 588 -3.945 1.293 -9.328 672 HD22 LEU 588 HD22 LEU 588 -3.665 1.787 -7.659 673 HD23 LEU 588 HD23 LEU 588 -5.265 1.973 -8.376 674 H LEU 589 HN LEU 589 -0.315 -0.514 -8.534 675 HA LEU 589 HA LEU 589 0.533 -3.335 -8.651 676 HB2 LEU 589 HB2 LEU 589 1.469 -1.901 -10.438 677 HB3 LEU 589 HB1 LEU 589 2.201 -0.882 -9.212 678 HG LEU 589 HG LEU 589 3.555 -2.821 -8.460 679 HD11 LEU 589 HD11 LEU 589 2.266 -4.154 -10.832 680 HD12 LEU 589 HD12 LEU 589 2.137 -4.637 -9.140 681 HD13 LEU 589 HD13 LEU 589 3.681 -4.775 -9.983 682 HD21 LEU 589 HD21 LEU 589 4.466 -1.206 -10.048 683 HD22 LEU 589 HD22 LEU 589 3.802 -2.143 -11.388 684 HD23 LEU 589 HD23 LEU 589 5.069 -2.831 -10.372 685 H ILE 590 HN ILE 590 0.795 -4.101 -6.653 686 HA ILE 590 HA ILE 590 1.918 -2.346 -4.587 687 HB ILE 590 HB ILE 590 0.645 -5.076 -4.285 688 HG12 ILE 590 HG12 ILE 590 -0.436 -2.287 -3.872 689 HG13 ILE 590 HG13 ILE 590 -1.061 -3.533 -4.940 690 HG21 ILE 590 HG21 ILE 590 2.273 -4.626 -2.540 691 HG22 ILE 590 HG22 ILE 590 0.637 -4.567 -1.884 692 HG23 ILE 590 HG23 ILE 590 1.512 -3.071 -2.207 693 HD11 ILE 590 HD11 ILE 590 -1.683 -4.866 -2.956 694 HD12 ILE 590 HD12 ILE 590 -2.501 -3.305 -3.034 695 HD13 ILE 590 HD13 ILE 590 -1.144 -3.535 -1.927 696 H ARG 591 HN ARG 591 4.023 -2.522 -4.091 697 HA ARG 591 HA ARG 591 5.387 -5.080 -4.321 698 HB2 ARG 591 HB2 ARG 591 6.138 -2.663 -5.962 699 HB3 ARG 591 HB3 ARG 591 7.287 -3.942 -5.595 700 HG2 ARG 591 HG2 ARG 591 5.776 -5.565 -6.683 701 HG3 ARG 591 HG3 ARG 591 4.706 -4.232 -7.115 702 HD2 ARG 591 HD2 ARG 591 6.506 -3.209 -8.416 703 HD3 ARG 591 HD3 ARG 591 7.579 -4.537 -7.974 704 HE ARG 591 HE ARG 591 5.309 -5.647 -9.140 705 HH11 ARG 591 HH11 ARG 591 7.986 -3.600 -10.064 706 HH12 ARG 591 HH12 ARG 591 7.978 -4.116 -11.720 707 HH21 ARG 591 HH21 ARG 591 5.288 -6.335 -11.315 708 HH22 ARG 591 HH22 ARG 591 6.431 -5.659 -12.437 709 H MET 592 HN MET 592 7.676 -4.883 -3.509 710 HA MET 592 HA MET 592 7.602 -3.371 -1.028 711 HB2 MET 592 HB2 MET 592 9.575 -5.379 -2.119 712 HB3 MET 592 HB3 MET 592 9.810 -4.526 -0.602 713 HG2 MET 592 HG2 MET 592 7.655 -5.498 0.192 714 HG3 MET 592 HG3 MET 592 7.617 -6.469 -1.280 715 HE1 MET 592 HE1 MET 592 7.511 -7.691 1.700 716 HE2 MET 592 HE2 MET 592 8.581 -9.078 1.505 717 HE3 MET 592 HE3 MET 592 7.430 -8.669 0.233 718 H SER 593 HN SER 593 8.935 -1.679 -0.508 719 HA SER 593 HA SER 593 10.019 -0.274 -2.789 720 HB2 SER 593 HB2 SER 593 9.803 0.566 0.103 721 HB3 SER 593 HB3 SER 593 10.227 1.616 -1.251 722 HG SER 593 HG SER 593 8.001 0.373 -1.907 723 H THR 594 HN THR 594 12.045 0.332 -3.116 724 HA THR 594 HA THR 594 14.078 -1.362 -1.890 725 HB THR 594 HB THR 594 15.511 -0.474 -3.802 726 HG1 THR 594 HG1 THR 594 14.622 1.115 -4.877 727 HG21 THR 594 HG21 THR 594 12.986 -1.993 -4.478 728 HG22 THR 594 HG22 THR 594 14.467 -2.694 -3.825 729 HG23 THR 594 HG23 THR 594 14.469 -1.974 -5.434 730 H ARG 595 HN ARG 595 13.003 1.821 -1.518 731 HA ARG 595 HA ARG 595 15.725 2.804 -0.985 732 HB2 ARG 595 HB2 ARG 595 13.228 4.370 -1.631 733 HB3 ARG 595 HB3 ARG 595 14.769 5.091 -1.188 734 HG2 ARG 595 HG2 ARG 595 15.806 4.000 -3.139 735 HG3 ARG 595 HG3 ARG 595 14.217 3.393 -3.608 736 HD2 ARG 595 HD2 ARG 595 14.738 5.393 -4.863 737 HD3 ARG 595 HD3 ARG 595 13.405 5.712 -3.752 738 HE ARG 595 HE ARG 595 16.099 6.414 -2.870 739 HH11 ARG 595 HH11 ARG 595 13.015 7.464 -4.141 740 HH12 ARG 595 HH12 ARG 595 13.233 9.119 -3.667 741 HH21 ARG 595 HH21 ARG 595 16.419 8.599 -2.284 742 HH22 ARG 595 HH22 ARG 595 15.176 9.765 -2.606 743 H TYR 596 HN TYR 596 12.596 2.292 0.450 744 HA TYR 596 HA TYR 596 13.652 3.398 2.964 745 HB2 TYR 596 HB2 TYR 596 10.848 3.388 1.876 746 HB3 TYR 596 HB3 TYR 596 11.169 3.603 3.593 747 HD1 TYR 596 HD1 TYR 596 11.865 5.060 0.244 748 HD2 TYR 596 HD2 TYR 596 11.787 5.692 4.450 749 HE1 TYR 596 HE1 TYR 596 12.239 7.464 -0.113 750 HE2 TYR 596 HE2 TYR 596 12.160 8.095 4.104 751 HH TYR 596 HH TYR 596 13.080 9.593 2.412 752 H LYS 597 HN LYS 597 13.183 2.349 4.898 753 HA LYS 597 HA LYS 597 12.704 -0.533 4.559 754 HB2 LYS 597 HB2 LYS 597 14.290 0.992 6.619 755 HB3 LYS 597 HB3 LYS 597 13.910 -0.722 6.766 756 HG2 LYS 597 HG2 LYS 597 15.467 -1.318 5.257 757 HG3 LYS 597 HG3 LYS 597 15.118 0.056 4.203 758 HD2 LYS 597 HD2 LYS 597 16.619 0.289 6.802 759 HD3 LYS 597 HD3 LYS 597 17.407 0.056 5.240 760 HE2 LYS 597 HE2 LYS 597 15.448 2.284 5.650 761 HE3 LYS 597 HE3 LYS 597 17.125 2.460 6.167 762 HZ1 LYS 597 HZ1 LYS 597 16.299 1.751 3.403 763 HZ2 LYS 597 HZ2 LYS 597 17.859 2.124 3.937 764 HZ3 LYS 597 HZ3 LYS 597 16.667 3.319 3.916 765 H GLU 598 HN GLU 598 11.618 2.327 6.200 766 HA GLU 598 HA GLU 598 9.418 0.765 7.325 767 HB2 GLU 598 HB2 GLU 598 11.070 0.946 9.131 768 HB3 GLU 598 HB3 GLU 598 11.089 2.695 8.946 769 HG2 GLU 598 HG2 GLU 598 8.755 2.806 9.631 770 HG3 GLU 598 HG3 GLU 598 8.713 1.048 9.788 771 H LEU 599 HN LEU 599 7.539 1.925 7.653 772 HA LEU 599 HA LEU 599 7.393 4.418 6.161 773 HB2 LEU 599 HB2 LEU 599 5.248 2.574 7.196 774 HB3 LEU 599 HB1 LEU 599 4.920 4.071 6.342 775 HG LEU 599 HG LEU 599 6.343 1.651 5.241 776 HD11 LEU 599 HD11 LEU 599 4.009 1.264 5.283 777 HD12 LEU 599 HD12 LEU 599 4.432 1.705 3.631 778 HD13 LEU 599 HD13 LEU 599 3.663 2.886 4.689 779 HD21 LEU 599 HD21 LEU 599 7.442 3.327 4.133 780 HD22 LEU 599 HD22 LEU 599 6.071 4.435 4.229 781 HD23 LEU 599 HD23 LEU 599 6.039 3.094 3.085 782 H GLN 600 HN GLN 600 7.280 6.301 7.025 783 HA GLN 600 HA GLN 600 6.753 6.568 9.895 784 HB2 GLN 600 HB2 GLN 600 8.862 7.475 9.334 785 HB3 GLN 600 HB3 GLN 600 8.240 8.242 7.882 786 HG2 GLN 600 HG2 GLN 600 6.981 9.819 9.265 787 HG3 GLN 600 HG3 GLN 600 7.639 9.058 10.716 788 HE21 GLN 600 HE21 GLN 600 8.377 10.983 7.900 789 HE22 GLN 600 HE22 GLN 600 9.891 11.590 8.472 790 H LEU 601 HN LEU 601 4.859 7.407 10.528 791 HA LEU 601 HA LEU 601 3.046 8.555 8.597 792 HB2 LEU 601 HB2 LEU 601 2.790 8.139 11.575 793 HB3 LEU 601 HB1 LEU 601 1.516 8.773 10.555 794 HG LEU 601 HG LEU 601 2.700 5.996 10.390 795 HD11 LEU 601 HD11 LEU 601 0.508 5.294 11.203 796 HD12 LEU 601 HD12 LEU 601 0.010 6.981 11.337 797 HD13 LEU 601 HD13 LEU 601 1.306 6.359 12.359 798 HD21 LEU 601 HD21 LEU 601 0.467 7.295 8.822 799 HD22 LEU 601 HD22 LEU 601 0.854 5.576 8.801 800 HD23 LEU 601 HD23 LEU 601 2.020 6.749 8.187 801 H LYS 602 HN LYS 602 4.018 10.545 7.981 802 HA LYS 602 HA LYS 602 4.361 12.600 9.974 803 HB2 LYS 602 HB2 LYS 602 4.165 12.769 6.963 804 HB3 LYS 602 HB3 LYS 602 4.500 14.141 8.010 805 HG2 LYS 602 HG2 LYS 602 6.507 12.839 8.840 806 HG3 LYS 602 HG3 LYS 602 6.217 11.732 7.497 807 HD2 LYS 602 HD2 LYS 602 6.774 14.692 7.302 808 HD3 LYS 602 HD3 LYS 602 7.878 13.385 6.869 809 HE2 LYS 602 HE2 LYS 602 6.330 12.660 5.121 810 HE3 LYS 602 HE3 LYS 602 5.222 13.957 5.560 811 HZ1 LYS 602 HZ1 LYS 602 7.973 14.311 4.507 812 HZ2 LYS 602 HZ2 LYS 602 6.929 15.559 4.954 813 HZ3 LYS 602 HZ3 LYS 602 6.540 14.562 3.646 814 H LYS 603 HN LYS 603 1.821 11.218 8.210 815 HA LYS 603 HA LYS 603 -0.045 13.244 9.253 816 HB2 LYS 603 HB2 LYS 603 -0.365 11.458 6.824 817 HB3 LYS 603 HB3 LYS 603 -1.598 12.544 7.446 818 HG2 LYS 603 HG2 LYS 603 1.091 13.406 6.404 819 HG3 LYS 603 HG3 LYS 603 -0.415 13.446 5.487 820 HD2 LYS 603 HD2 LYS 603 -1.368 15.011 7.090 821 HD3 LYS 603 HD3 LYS 603 0.105 14.937 8.059 822 HE2 LYS 603 HE2 LYS 603 0.076 16.945 6.686 823 HE3 LYS 603 HE3 LYS 603 1.382 15.869 6.200 824 HZ1 LYS 603 HZ1 LYS 603 0.041 15.119 4.343 825 HZ2 LYS 603 HZ2 LYS 603 0.208 16.800 4.297 826 HZ3 LYS 603 HZ3 LYS 603 -1.239 16.111 4.826 827 HA PRO 604 HA PRO 604 -1.292 9.891 11.882 828 HB2 PRO 604 HB2 PRO 604 -3.695 10.934 12.680 829 HB3 PRO 604 HB1 PRO 604 -2.136 11.429 13.352 830 HG2 PRO 604 HG2 PRO 604 -3.795 12.751 11.241 831 HG3 PRO 604 HG3 PRO 604 -2.913 13.485 12.593 832 HD2 PRO 604 HD2 PRO 604 -1.939 13.507 10.086 833 HD3 PRO 604 HD3 PRO 604 -0.877 13.349 11.500 834 H GLY 605 HN GLY 605 -3.252 8.488 12.226 835 HA2 GLY 605 HA2 GLY 605 -4.862 8.188 9.802 836 HA3 GLY 605 HA3 GLY 605 -3.885 6.829 10.354 837 H LYS 606 HN LYS 606 -6.652 6.706 10.134 838 HA LYS 606 HA LYS 606 -7.670 6.964 12.863 839 HB2 LYS 606 HB2 LYS 606 -9.865 6.572 11.945 840 HB3 LYS 606 HB3 LYS 606 -9.060 7.787 10.963 841 HG2 LYS 606 HG2 LYS 606 -8.569 6.120 9.264 842 HG3 LYS 606 HG3 LYS 606 -9.310 4.867 10.262 843 HD2 LYS 606 HD2 LYS 606 -11.441 6.164 10.172 844 HD3 LYS 606 HD3 LYS 606 -10.670 7.255 9.019 845 HE2 LYS 606 HE2 LYS 606 -10.306 5.384 7.489 846 HE3 LYS 606 HE3 LYS 606 -11.052 4.284 8.647 847 HZ1 LYS 606 HZ1 LYS 606 -13.109 5.597 8.439 848 HZ2 LYS 606 HZ2 LYS 606 -12.642 4.884 6.979 849 HZ3 LYS 606 HZ3 LYS 606 -12.378 6.533 7.234 850 H ASN 607 HN ASN 607 -9.231 5.016 13.450 851 HA ASN 607 HA ASN 607 -7.766 2.683 13.745 852 HB2 ASN 607 HB2 ASN 607 -9.723 3.222 15.115 853 HB3 ASN 607 HB3 ASN 607 -10.772 3.042 13.715 854 HD21 ASN 607 HD21 ASN 607 -11.981 1.465 14.755 855 HD22 ASN 607 HD22 ASN 607 -11.385 -0.145 14.998 856 H VAL 608 HN VAL 608 -7.171 1.188 12.356 857 HA VAL 608 HA VAL 608 -8.243 1.228 9.667 858 HB VAL 608 HB VAL 608 -5.924 -0.254 10.917 859 HG11 VAL 608 HG11 VAL 608 -5.305 -0.924 8.613 860 HG12 VAL 608 HG12 VAL 608 -6.875 -0.335 8.062 861 HG13 VAL 608 HG13 VAL 608 -6.789 -1.686 9.188 862 HG21 VAL 608 HG21 VAL 608 -4.585 1.219 9.472 863 HG22 VAL 608 HG22 VAL 608 -5.584 2.134 10.599 864 HG23 VAL 608 HG23 VAL 608 -6.062 2.002 8.906 865 H ALA 609 HN ALA 609 -8.595 -0.636 12.537 866 HA ALA 609 HA ALA 609 -9.548 -3.055 11.481 867 HB1 ALA 609 HB1 ALA 609 -10.621 -3.389 13.630 868 HB2 ALA 609 HB2 ALA 609 -10.422 -1.682 14.017 869 HB3 ALA 609 HB3 ALA 609 -9.006 -2.720 13.848 870 H ALA 610 HN ALA 610 -11.085 0.055 11.899 871 HA ALA 610 HA ALA 610 -13.754 -0.722 11.423 872 HB1 ALA 610 HB1 ALA 610 -13.167 1.472 12.334 873 HB2 ALA 610 HB2 ALA 610 -14.143 1.632 10.874 874 HB3 ALA 610 HB3 ALA 610 -12.402 1.906 10.806 875 H ILE 611 HN ILE 611 -11.016 -0.149 9.379 876 HA ILE 611 HA ILE 611 -12.406 0.014 6.902 877 HB ILE 611 HB ILE 611 -9.523 -0.709 7.486 878 HG12 ILE 611 HG12 ILE 611 -10.765 1.914 6.628 879 HG13 ILE 611 HG13 ILE 611 -10.226 1.542 8.260 880 HG21 ILE 611 HG21 ILE 611 -10.794 0.142 4.885 881 HG22 ILE 611 HG22 ILE 611 -10.246 -1.488 5.273 882 HG23 ILE 611 HG23 ILE 611 -9.079 -0.172 5.155 883 HD11 ILE 611 HD11 ILE 611 -7.933 1.293 7.427 884 HD12 ILE 611 HD12 ILE 611 -8.595 2.897 7.112 885 HD13 ILE 611 HD13 ILE 611 -8.493 1.713 5.809 886 H ILE 612 HN ILE 612 -11.052 -2.608 8.844 887 HA ILE 612 HA ILE 612 -11.375 -4.732 7.069 888 HB ILE 612 HB ILE 612 -11.889 -4.771 10.057 889 HG12 ILE 612 HG12 ILE 612 -9.356 -5.439 8.541 890 HG13 ILE 612 HG13 ILE 612 -9.626 -3.943 9.430 891 HG21 ILE 612 HG21 ILE 612 -12.811 -6.726 8.953 892 HG22 ILE 612 HG22 ILE 612 -11.392 -7.170 9.899 893 HG23 ILE 612 HG23 ILE 612 -11.273 -7.022 8.145 894 HD11 ILE 612 HD11 ILE 612 -8.275 -5.514 10.701 895 HD12 ILE 612 HD12 ILE 612 -9.567 -6.711 10.610 896 HD13 ILE 612 HD13 ILE 612 -9.817 -5.210 11.502 897 H GLN 613 HN GLN 613 -13.689 -3.217 9.283 898 HA GLN 613 HA GLN 613 -15.885 -4.870 8.610 899 HB2 GLN 613 HB2 GLN 613 -15.766 -2.069 9.726 900 HB3 GLN 613 HB3 GLN 613 -17.267 -2.960 9.515 901 HG2 GLN 613 HG2 GLN 613 -14.954 -3.881 11.207 902 HG3 GLN 613 HG3 GLN 613 -16.375 -3.037 11.818 903 HE21 GLN 613 HE21 GLN 613 -16.960 -4.756 13.135 904 HE22 GLN 613 HE22 GLN 613 -17.629 -6.212 12.509 905 H ASP 614 HN ASP 614 -14.511 -2.040 7.140 906 HA ASP 614 HA ASP 614 -16.663 -1.468 5.369 907 HB2 ASP 614 HB2 ASP 614 -13.801 -0.653 5.504 908 HB3 ASP 614 HB3 ASP 614 -14.642 -0.443 3.973 909 H ILE 615 HN ILE 615 -13.711 -3.389 5.035 910 HA ILE 615 HA ILE 615 -14.003 -4.118 2.348 911 HB ILE 615 HB ILE 615 -12.792 -5.710 4.615 912 HG12 ILE 615 HG12 ILE 615 -11.462 -3.911 2.588 913 HG13 ILE 615 HG13 ILE 615 -11.876 -3.414 4.225 914 HG21 ILE 615 HG21 ILE 615 -13.280 -7.100 2.657 915 HG22 ILE 615 HG22 ILE 615 -11.546 -6.892 2.888 916 HG23 ILE 615 HG23 ILE 615 -12.383 -5.976 1.636 917 HD11 ILE 615 HD11 ILE 615 -9.554 -4.005 4.074 918 HD12 ILE 615 HD12 ILE 615 -9.977 -5.603 3.458 919 HD13 ILE 615 HD13 ILE 615 -10.408 -5.151 5.107 920 H HIS 616 HN HIS 616 -15.053 -5.784 5.300 921 HA HIS 616 HA HIS 616 -16.309 -7.925 3.955 922 HB2 HIS 616 HB2 HIS 616 -16.473 -6.870 6.759 923 HB3 HIS 616 HB3 HIS 616 -17.552 -8.155 6.224 924 HD1 HIS 616 HD1 HIS 616 -16.661 -10.298 7.074 925 HD2 HIS 616 HD2 HIS 616 -13.620 -7.782 5.768 926 HE1 HIS 616 HE1 HIS 616 -14.541 -11.629 7.295 927 HE2 HIS 616 HE2 HIS 616 -12.728 -10.127 6.399 928 H SER 617 HN SER 617 -17.383 -4.717 4.751 929 HA SER 617 HA SER 617 -20.150 -5.210 4.287 930 HB2 SER 617 HB2 SER 617 -19.378 -3.296 5.638 931 HB3 SER 617 HB3 SER 617 -18.603 -2.609 4.214 932 HG SER 617 HG SER 617 -21.365 -3.212 4.252 933 H GLN 618 HN GLN 618 -17.414 -4.173 2.328 934 HA GLN 618 HA GLN 618 -19.044 -3.693 -0.008 935 HB2 GLN 618 HB2 GLN 618 -16.047 -3.810 0.357 936 HB3 GLN 618 HB3 GLN 618 -16.841 -3.402 -1.156 937 HG2 GLN 618 HG2 GLN 618 -16.996 -1.857 1.423 938 HG3 GLN 618 HG3 GLN 618 -16.102 -1.404 -0.028 939 HE21 GLN 618 HE21 GLN 618 -19.188 -1.560 1.500 940 HE22 GLN 618 HE22 GLN 618 -20.069 -0.688 0.296 941 H ARG 619 HN ARG 619 -17.894 -6.415 1.497 942 HA ARG 619 HA ARG 619 -17.938 -7.966 -1.009 943 HB2 ARG 619 HB2 ARG 619 -16.356 -8.445 1.518 944 HB3 ARG 619 HB3 ARG 619 -16.525 -9.638 0.243 945 HG2 ARG 619 HG2 ARG 619 -15.469 -8.036 -1.326 946 HG3 ARG 619 HG3 ARG 619 -15.198 -6.946 0.037 947 HD2 ARG 619 HD2 ARG 619 -13.200 -8.263 -0.425 948 HD3 ARG 619 HD3 ARG 619 -13.872 -8.675 1.153 949 HE ARG 619 HE ARG 619 -14.541 -10.334 -1.172 950 HH11 ARG 619 HH11 ARG 619 -12.937 -10.002 1.934 951 HH12 ARG 619 HH12 ARG 619 -12.663 -11.704 2.111 952 HH21 ARG 619 HH21 ARG 619 -14.174 -12.572 -0.925 953 HH22 ARG 619 HH22 ARG 619 -13.373 -13.163 0.497 954 H GLU 620 HN GLU 620 -18.201 -10.454 -0.172 955 HA GLU 620 HA GLU 620 -20.411 -10.547 1.763 956 HB2 GLU 620 HB2 GLU 620 -21.619 -12.133 0.353 957 HB3 GLU 620 HB3 GLU 620 -21.374 -10.620 -0.508 958 HG2 GLU 620 HG2 GLU 620 -19.546 -11.597 -1.763 959 HG3 GLU 620 HG3 GLU 620 -19.702 -13.099 -0.855 960 H ARG 621 HN ARG 621 -20.832 -12.908 2.402 961 HA ARG 621 HA ARG 621 -18.630 -14.729 2.060 962 HB2 ARG 621 HB2 ARG 621 -17.842 -13.266 3.916 963 HB3 ARG 621 HB3 ARG 621 -19.270 -13.713 4.839 964 HG2 ARG 621 HG2 ARG 621 -18.544 -16.038 4.866 965 HG3 ARG 621 HG3 ARG 621 -17.126 -15.615 3.905 966 HD2 ARG 621 HD2 ARG 621 -16.343 -14.151 5.694 967 HD3 ARG 621 HD3 ARG 621 -17.770 -14.547 6.650 968 HE ARG 621 HE ARG 621 -16.236 -16.852 5.884 969 HH11 ARG 621 HH11 ARG 621 -16.515 -14.265 8.215 970 HH12 ARG 621 HH12 ARG 621 -15.736 -15.144 9.490 971 HH21 ARG 621 HH21 ARG 621 -15.191 -18.025 7.560 972 HH22 ARG 621 HH22 ARG 621 -14.975 -17.283 9.112 Start of MODEL 23 1 HO5' ADN 1 H5T ADE 1 13.333 3.247 -7.430 2 H5'1 ADN 1 H5' ADE 1 12.919 0.433 -7.482 3 H5'2 ADN 1 H5'' ADE 1 14.411 1.273 -7.030 4 H4' ADN 1 H4' ADE 1 14.338 2.362 -9.297 5 H3' ADN 1 H3' ADE 1 11.849 1.349 -9.697 6 H2' ADN 1 H2' ADE 1 12.501 -0.978 -9.776 7 HO2' ADN 1 HO2' ADE 1 13.288 -1.022 -12.287 8 H1' ADN 1 H1' ADE 1 15.003 -0.065 -11.319 9 H8 ADN 1 H8 ADE 1 15.647 -1.877 -8.208 10 HN61 ADN 1 H61 ADE 1 16.344 -6.366 -9.952 11 HN62 ADN 1 H62 ADE 1 16.047 -7.103 -11.510 12 H2 ADN 1 H2 ADE 1 14.282 -3.929 -14.134 13 H5' U 2 H5' URI 2 11.499 4.885 -10.000 14 H5'' U 2 H5'' URI 2 10.991 3.198 -9.791 15 H4' U 2 H4' URI 2 9.410 5.580 -10.642 16 H3' U 2 H3' URI 2 9.434 4.326 -8.225 17 H2' U 2 H2' URI 2 8.527 2.222 -8.958 18 HO2' U 2 HO2' URI 2 6.313 3.990 -8.596 19 H1' U 2 H1' URI 2 6.716 3.799 -10.883 20 H3 U 2 H3 URI 2 5.235 0.408 -13.350 21 H5 U 2 H5 URI 2 8.491 -1.306 -11.328 22 H6 U 2 H6 URI 2 8.895 0.836 -10.316 23 H5' C 3 H5' CYT 3 7.617 8.874 -5.949 24 H5'' C 3 H5'' CYT 3 9.204 8.085 -5.844 25 H4' C 3 H4' CYT 3 6.883 7.925 -4.072 26 H3' C 3 H3' CYT 3 9.406 8.573 -3.520 27 H2' C 3 H2' CYT 3 10.375 6.458 -4.278 28 HO2' C 3 HO2' CYT 3 9.793 6.390 -1.497 29 H1' C 3 H1' CYT 3 8.111 5.092 -2.701 30 H41 C 3 H41 CYT 3 10.850 0.629 -6.759 31 H42 C 3 H42 CYT 3 10.382 -0.200 -5.290 32 H5 C 3 H5 CYT 3 10.522 3.009 -7.086 33 H6 C 3 H6 CYT 3 9.684 5.064 -6.073 34 H5' U 4 H5' URI 4 7.133 11.979 -1.505 35 H5'' U 4 H5'' URI 4 8.065 11.459 -0.091 36 H4' U 4 H4' URI 4 5.102 11.612 -0.467 37 H3' U 4 H3' URI 4 6.690 13.431 0.729 38 H2' U 4 H2' URI 4 7.593 11.899 2.397 39 HO2' U 4 HO2' URI 4 6.046 12.223 4.295 40 H1' U 4 H1' URI 4 4.706 10.864 2.669 41 H3 U 4 H3 URI 4 6.656 8.966 6.416 42 H5 U 4 H5 URI 4 7.983 6.791 3.080 43 H6 U 4 H6 URI 4 7.063 8.531 1.687 44 H5' U 5 H5' URI 5 2.817 12.783 -0.957 45 H5'' U 5 H5'' URI 5 2.019 14.205 -1.656 46 H4' U 5 H4' URI 5 0.276 12.798 -1.124 47 H3' U 5 H3' URI 5 0.201 15.183 0.141 48 H2' U 5 H2' URI 5 1.209 14.380 2.211 49 HO2' U 5 HO2' URI 5 -1.574 13.796 2.512 50 H1' U 5 H1' URI 5 -0.609 11.920 1.857 51 H3 U 5 H3 URI 5 0.552 9.970 5.663 52 H5 U 5 H5 URI 5 4.106 11.891 4.526 53 H6 U 5 H6 URI 5 2.942 12.748 2.600 54 H5' A 6 H5' ADE 6 -4.001 16.550 1.956 55 H5'' A 6 H5'' ADE 6 -3.049 17.901 1.314 56 H4' A 6 H4' ADE 6 -2.878 16.565 3.994 57 H3' A 6 H3' ADE 6 -4.283 18.773 3.481 58 HO3' A 6 H3T ADE 6 -3.322 19.460 5.649 59 H2' A 6 H2' ADE 6 -2.489 20.044 2.452 60 HO2' A 6 HO2' ADE 6 -3.242 21.283 4.231 61 H1' A 6 H1' ADE 6 -0.629 19.089 4.699 62 H8 A 6 H8 ADE 6 -0.051 21.719 3.172 63 H61 A 6 H61 ADE 6 3.551 21.102 -0.016 64 H62 A 6 H62 ADE 6 4.241 19.697 -0.798 65 H2 A 6 H2 ADE 6 1.979 16.137 0.737 66 H1 GLY 510 HT1 GLY 510 16.960 -13.900 8.578 67 H2 GLY 510 HT2 GLY 510 16.712 -15.558 8.354 68 H3 GLY 510 HT3 GLY 510 15.565 -14.447 7.799 69 HA2 GLY 510 HA3 GLY 510 18.334 -14.706 6.784 70 HA3 GLY 510 HA2 GLY 510 16.895 -15.318 5.978 71 H ALA 511 HN ALA 511 16.499 -14.098 4.272 72 HA ALA 511 HA ALA 511 16.112 -12.324 2.925 73 HB1 ALA 511 HB1 ALA 511 15.614 -10.835 5.502 74 HB2 ALA 511 HB2 ALA 511 14.421 -11.780 4.611 75 HB3 ALA 511 HB3 ALA 511 15.110 -10.327 3.889 76 H MET 512 HN MET 512 18.359 -12.402 2.314 77 HA MET 512 HA MET 512 20.256 -10.700 3.619 78 HB2 MET 512 HB2 MET 512 21.808 -11.347 1.888 79 HB3 MET 512 HB3 MET 512 20.934 -12.767 2.438 80 HG2 MET 512 HG2 MET 512 20.918 -13.095 0.182 81 HG3 MET 512 HG3 MET 512 19.391 -12.244 0.398 82 HE1 MET 512 HE1 MET 512 20.761 -12.523 -2.421 83 HE2 MET 512 HE2 MET 512 20.608 -10.885 -3.054 84 HE3 MET 512 HE3 MET 512 19.271 -11.616 -2.166 85 H ALA 513 HN ALA 513 18.003 -10.387 1.017 86 HA ALA 513 HA ALA 513 18.922 -7.621 0.594 87 HB1 ALA 513 HB1 ALA 513 17.453 -9.402 -1.350 88 HB2 ALA 513 HB2 ALA 513 19.165 -8.986 -1.424 89 HB3 ALA 513 HB3 ALA 513 17.942 -7.733 -1.642 90 H GLN 514 HN GLN 514 17.340 -6.019 0.433 91 HA GLN 514 HA GLN 514 15.437 -4.912 0.917 92 HB2 GLN 514 HB2 GLN 514 14.234 -7.638 0.531 93 HB3 GLN 514 HB3 GLN 514 13.266 -6.248 1.003 94 HG2 GLN 514 HG2 GLN 514 14.935 -6.445 -1.493 95 HG3 GLN 514 HG3 GLN 514 13.184 -6.652 -1.405 96 HE21 GLN 514 HE21 GLN 514 15.814 -4.395 -1.277 97 HE22 GLN 514 HE22 GLN 514 14.855 -2.966 -1.367 98 H ARG 515 HN ARG 515 15.437 -4.053 2.830 99 HA ARG 515 HA ARG 515 15.483 -5.615 5.241 100 HB2 ARG 515 HB2 ARG 515 15.120 -2.642 4.831 101 HB3 ARG 515 HB3 ARG 515 15.353 -3.422 6.388 102 HG2 ARG 515 HG2 ARG 515 17.319 -3.213 4.125 103 HG3 ARG 515 HG3 ARG 515 17.433 -2.491 5.731 104 HD2 ARG 515 HD2 ARG 515 17.571 -5.416 5.026 105 HD3 ARG 515 HD3 ARG 515 18.877 -4.407 5.641 106 HE ARG 515 HE ARG 515 17.269 -4.190 7.670 107 HH11 ARG 515 HH11 ARG 515 17.810 -7.054 5.719 108 HH12 ARG 515 HH12 ARG 515 17.428 -8.154 7.007 109 HH21 ARG 515 HH21 ARG 515 16.760 -5.634 9.360 110 HH22 ARG 515 HH22 ARG 515 16.803 -7.347 9.071 111 H LYS 516 HN LYS 516 13.649 -6.782 5.476 112 HA LYS 516 HA LYS 516 11.164 -5.257 5.804 113 HB2 LYS 516 HB2 LYS 516 11.416 -7.896 4.345 114 HB3 LYS 516 HB3 LYS 516 9.899 -7.100 4.736 115 HG2 LYS 516 HG2 LYS 516 12.044 -6.006 2.923 116 HG3 LYS 516 HG3 LYS 516 10.526 -6.743 2.407 117 HD2 LYS 516 HD2 LYS 516 9.267 -4.969 3.482 118 HD3 LYS 516 HD3 LYS 516 10.756 -4.260 4.110 119 HE2 LYS 516 HE2 LYS 516 10.037 -4.555 1.198 120 HE3 LYS 516 HE3 LYS 516 9.927 -3.067 2.133 121 HZ1 LYS 516 HZ1 LYS 516 12.403 -4.571 1.488 122 HZ2 LYS 516 HZ2 LYS 516 12.346 -3.222 2.505 123 HZ3 LYS 516 HZ3 LYS 516 11.947 -3.065 0.865 124 H GLY 517 HN GLY 517 12.758 -5.873 7.896 125 HA2 GLY 517 HA2 GLY 517 11.691 -8.282 9.154 126 HA3 GLY 517 HA3 GLY 517 12.929 -7.222 9.815 127 H ALA 518 HN ALA 518 12.348 -5.814 11.349 128 HA ALA 518 HA ALA 518 9.599 -5.635 12.155 129 HB1 ALA 518 HB1 ALA 518 11.359 -5.686 13.841 130 HB2 ALA 518 HB2 ALA 518 10.430 -4.190 13.953 131 HB3 ALA 518 HB3 ALA 518 12.024 -4.184 13.198 132 H GLY 519 HN GLY 519 11.790 -3.866 10.277 133 HA2 GLY 519 HA2 GLY 519 9.854 -1.671 9.932 134 HA3 GLY 519 HA3 GLY 519 11.566 -1.578 9.518 135 H ARG 520 HN ARG 520 8.539 -1.892 8.201 136 HA ARG 520 HA ARG 520 9.702 -3.103 5.783 137 HB2 ARG 520 HB2 ARG 520 6.930 -3.698 6.838 138 HB3 ARG 520 HB3 ARG 520 7.664 -4.372 5.390 139 HG2 ARG 520 HG2 ARG 520 9.145 -5.699 6.620 140 HG3 ARG 520 HG3 ARG 520 8.872 -4.780 8.102 141 HD2 ARG 520 HD2 ARG 520 6.920 -6.613 6.716 142 HD3 ARG 520 HD3 ARG 520 7.736 -6.902 8.253 143 HE ARG 520 HE ARG 520 5.464 -5.153 7.769 144 HH11 ARG 520 HH11 ARG 520 7.988 -6.156 9.998 145 HH12 ARG 520 HH12 ARG 520 7.166 -5.527 11.392 146 HH21 ARG 520 HH21 ARG 520 4.402 -4.323 9.601 147 HH22 ARG 520 HH22 ARG 520 5.129 -4.484 11.169 148 H VAL 521 HN VAL 521 9.323 -1.981 4.011 149 HA VAL 521 HA VAL 521 7.016 -0.165 3.954 150 HB VAL 521 HB VAL 521 9.605 0.174 2.452 151 HG11 VAL 521 HG11 VAL 521 7.932 0.959 1.014 152 HG12 VAL 521 HG12 VAL 521 8.530 2.396 1.845 153 HG13 VAL 521 HG13 VAL 521 7.008 1.654 2.338 154 HG21 VAL 521 HG21 VAL 521 8.370 1.803 4.656 155 HG22 VAL 521 HG22 VAL 521 9.861 2.187 3.798 156 HG23 VAL 521 HG23 VAL 521 9.773 0.748 4.812 157 H VAL 522 HN VAL 522 5.460 -0.717 2.612 158 HA VAL 522 HA VAL 522 6.157 -2.276 0.209 159 HB VAL 522 HB VAL 522 3.504 -2.367 1.655 160 HG11 VAL 522 HG11 VAL 522 4.654 -4.072 -0.548 161 HG12 VAL 522 HG12 VAL 522 3.340 -2.903 -0.695 162 HG13 VAL 522 HG13 VAL 522 3.121 -4.365 0.272 163 HG21 VAL 522 HG21 VAL 522 5.220 -3.315 3.092 164 HG22 VAL 522 HG22 VAL 522 5.765 -4.356 1.778 165 HG23 VAL 522 HG23 VAL 522 4.160 -4.580 2.471 166 H HIS 523 HN HIS 523 5.707 -1.167 -1.684 167 HA HIS 523 HA HIS 523 4.275 1.360 -1.328 168 HB2 HIS 523 HB2 HIS 523 6.590 1.612 -1.980 169 HB3 HIS 523 HB3 HIS 523 6.391 0.465 -3.295 170 HD1 HIS 523 HD1 HIS 523 5.776 1.406 -5.524 171 HD2 HIS 523 HD2 HIS 523 5.200 4.135 -2.443 172 HE1 HIS 523 HE1 HIS 523 5.294 3.599 -6.649 173 HE2 HIS 523 HE2 HIS 523 5.187 5.266 -4.770 174 H ILE 524 HN ILE 524 2.520 1.800 -2.456 175 HA ILE 524 HA ILE 524 1.666 -0.092 -4.546 176 HB ILE 524 HB ILE 524 -0.082 1.697 -2.841 177 HG12 ILE 524 HG12 ILE 524 0.528 -1.256 -2.585 178 HG13 ILE 524 HG13 ILE 524 0.979 0.005 -1.448 179 HG21 ILE 524 HG21 ILE 524 -0.735 -0.505 -4.793 180 HG22 ILE 524 HG22 ILE 524 -1.117 1.207 -4.950 181 HG23 ILE 524 HG23 ILE 524 -1.906 0.238 -3.705 182 HD11 ILE 524 HD11 ILE 524 -0.909 -1.296 -0.653 183 HD12 ILE 524 HD12 ILE 524 -1.831 -0.850 -2.091 184 HD13 ILE 524 HD13 ILE 524 -1.360 0.389 -0.928 185 H CYS 525 HN CYS 525 0.978 0.797 -6.510 186 HA CYS 525 HA CYS 525 1.023 3.703 -6.733 187 HB2 CYS 525 HB2 CYS 525 2.424 3.367 -8.885 188 HB3 CYS 525 HB3 CYS 525 3.240 3.355 -7.326 189 HG CYS 525 HG CYS 525 2.661 0.309 -7.568 190 H ASN 526 HN ASN 526 0.265 4.493 -8.771 191 HA ASN 526 HA ASN 526 -0.920 4.498 -10.731 192 HB2 ASN 526 HB2 ASN 526 -1.519 1.586 -10.193 193 HB3 ASN 526 HB3 ASN 526 -2.119 2.481 -11.581 194 HD21 ASN 526 HD21 ASN 526 -0.535 0.153 -11.660 195 HD22 ASN 526 HD22 ASN 526 0.966 0.561 -12.424 196 H LEU 527 HN LEU 527 -1.713 5.125 -8.048 197 HA LEU 527 HA LEU 527 -4.587 4.608 -8.041 198 HB2 LEU 527 HB2 LEU 527 -2.748 6.000 -6.098 199 HB3 LEU 527 HB1 LEU 527 -4.490 6.015 -5.925 200 HG LEU 527 HG LEU 527 -2.853 3.480 -5.984 201 HD11 LEU 527 HD11 LEU 527 -2.193 4.824 -4.064 202 HD12 LEU 527 HD12 LEU 527 -3.158 3.441 -3.549 203 HD13 LEU 527 HD13 LEU 527 -3.885 5.046 -3.620 204 HD21 LEU 527 HD21 LEU 527 -5.680 4.067 -5.116 205 HD22 LEU 527 HD22 LEU 527 -4.875 2.500 -5.030 206 HD23 LEU 527 HD23 LEU 527 -5.205 3.239 -6.597 207 HA PRO 528 HA PRO 528 -4.971 8.363 -10.371 208 HB2 PRO 528 HB2 PRO 528 -7.828 8.323 -9.965 209 HB3 PRO 528 HB1 PRO 528 -6.925 7.943 -11.429 210 HG2 PRO 528 HG2 PRO 528 -8.330 6.109 -9.898 211 HG3 PRO 528 HG3 PRO 528 -7.051 5.708 -11.053 212 HD2 PRO 528 HD2 PRO 528 -6.970 5.813 -8.096 213 HD3 PRO 528 HD3 PRO 528 -6.021 4.827 -9.226 214 H GLU 529 HN GLU 529 -4.815 10.424 -9.714 215 HA GLU 529 HA GLU 529 -5.311 11.194 -7.038 216 HB2 GLU 529 HB2 GLU 529 -3.603 12.311 -8.310 217 HB3 GLU 529 HB3 GLU 529 -4.775 12.817 -9.521 218 HG2 GLU 529 HG2 GLU 529 -5.860 14.254 -7.877 219 HG3 GLU 529 HG3 GLU 529 -4.698 13.735 -6.657 220 H GLY 530 HN GLY 530 -7.084 12.090 -6.089 221 HA2 GLY 530 HA2 GLY 530 -9.237 13.018 -6.011 222 HA3 GLY 530 HA3 GLY 530 -9.351 12.851 -7.761 223 H SER 531 HN SER 531 -8.053 10.088 -6.577 224 HA SER 531 HA SER 531 -10.583 8.738 -6.054 225 HB2 SER 531 HB2 SER 531 -8.633 7.819 -8.178 226 HB3 SER 531 HB3 SER 531 -10.174 7.063 -7.767 227 HG SER 531 HG SER 531 -10.995 9.336 -8.320 228 H CYS 532 HN CYS 532 -7.695 9.438 -4.965 229 HA CYS 532 HA CYS 532 -6.771 6.757 -4.243 230 HB2 CYS 532 HB2 CYS 532 -5.625 9.458 -3.474 231 HB3 CYS 532 HB3 CYS 532 -4.866 7.895 -3.211 232 HG CYS 532 HG CYS 532 -5.591 8.538 -6.416 233 H THR 533 HN THR 533 -8.383 6.048 -2.813 234 HA THR 533 HA THR 533 -8.960 7.794 -0.529 235 HB THR 533 HB THR 533 -10.862 6.259 -0.125 236 HG1 THR 533 HG1 THR 533 -11.160 4.486 -1.379 237 HG21 THR 533 HG21 THR 533 -10.711 7.271 -2.971 238 HG22 THR 533 HG22 THR 533 -11.194 8.219 -1.565 239 HG23 THR 533 HG23 THR 533 -12.188 6.864 -2.098 240 H GLU 534 HN GLU 534 -8.782 7.002 1.584 241 HA GLU 534 HA GLU 534 -6.517 5.345 2.011 242 HB2 GLU 534 HB2 GLU 534 -8.519 6.324 4.056 243 HB3 GLU 534 HB3 GLU 534 -6.886 5.755 4.364 244 HG2 GLU 534 HG2 GLU 534 -5.957 7.653 3.129 245 HG3 GLU 534 HG3 GLU 534 -7.596 8.199 2.755 246 H ASN 535 HN ASN 535 -9.939 4.885 2.100 247 HA ASN 535 HA ASN 535 -9.985 2.507 3.631 248 HB2 ASN 535 HB2 ASN 535 -11.972 3.959 3.226 249 HB3 ASN 535 HB3 ASN 535 -11.994 3.406 1.554 250 HD21 ASN 535 HD21 ASN 535 -13.935 2.381 1.604 251 HD22 ASN 535 HD22 ASN 535 -14.253 0.973 2.550 252 H ASP 536 HN ASP 536 -9.903 3.047 0.090 253 HA ASP 536 HA ASP 536 -10.438 0.292 -0.480 254 HB2 ASP 536 HB2 ASP 536 -9.559 2.581 -2.244 255 HB3 ASP 536 HB3 ASP 536 -9.903 0.964 -2.850 256 H VAL 537 HN VAL 537 -7.616 2.318 -0.480 257 HA VAL 537 HA VAL 537 -5.728 0.513 -1.523 258 HB VAL 537 HB VAL 537 -5.245 2.651 0.573 259 HG11 VAL 537 HG11 VAL 537 -3.326 1.415 -1.397 260 HG12 VAL 537 HG12 VAL 537 -3.359 1.087 0.337 261 HG13 VAL 537 HG13 VAL 537 -2.959 2.705 -0.250 262 HG21 VAL 537 HG21 VAL 537 -6.327 3.615 -1.333 263 HG22 VAL 537 HG22 VAL 537 -5.245 2.763 -2.435 264 HG23 VAL 537 HG23 VAL 537 -4.616 4.038 -1.394 265 H ILE 538 HN ILE 538 -6.656 1.154 1.838 266 HA ILE 538 HA ILE 538 -5.175 -1.009 2.908 267 HB ILE 538 HB ILE 538 -7.467 0.560 4.067 268 HG12 ILE 538 HG12 ILE 538 -4.468 0.616 4.426 269 HG13 ILE 538 HG13 ILE 538 -5.485 1.883 3.748 270 HG21 ILE 538 HG21 ILE 538 -6.824 -0.451 6.216 271 HG22 ILE 538 HG22 ILE 538 -5.693 -1.502 5.366 272 HG23 ILE 538 HG23 ILE 538 -7.422 -1.650 5.072 273 HD11 ILE 538 HD11 ILE 538 -4.785 2.425 5.999 274 HD12 ILE 538 HD12 ILE 538 -5.511 0.935 6.597 275 HD13 ILE 538 HD13 ILE 538 -6.533 2.204 5.921 276 H ASN 539 HN ASN 539 -8.472 -0.753 1.647 277 HA ASN 539 HA ASN 539 -9.496 -3.170 2.555 278 HB2 ASN 539 HB2 ASN 539 -9.984 -1.845 -0.122 279 HB3 ASN 539 HB3 ASN 539 -10.890 -3.226 0.469 280 HD21 ASN 539 HD21 ASN 539 -10.931 -2.172 3.225 281 HD22 ASN 539 HD22 ASN 539 -12.081 -0.897 3.207 282 H LEU 540 HN LEU 540 -7.196 -2.524 0.016 283 HA LEU 540 HA LEU 540 -7.173 -5.217 -0.970 284 HB2 LEU 540 HB2 LEU 540 -5.116 -3.014 -1.157 285 HB3 LEU 540 HB1 LEU 540 -5.075 -4.512 -2.066 286 HG LEU 540 HG LEU 540 -7.197 -2.381 -2.303 287 HD11 LEU 540 HD11 LEU 540 -4.873 -3.115 -4.070 288 HD12 LEU 540 HD12 LEU 540 -5.117 -1.600 -3.198 289 HD13 LEU 540 HD13 LEU 540 -6.188 -2.034 -4.531 290 HD21 LEU 540 HD21 LEU 540 -6.764 -4.935 -3.852 291 HD22 LEU 540 HD22 LEU 540 -7.923 -3.673 -4.270 292 HD23 LEU 540 HD23 LEU 540 -8.111 -4.577 -2.768 293 H GLY 541 HN GLY 541 -5.195 -3.297 1.268 294 HA2 GLY 541 HA2 GLY 541 -3.294 -5.247 1.860 295 HA3 GLY 541 HA3 GLY 541 -3.720 -3.895 2.898 296 H LEU 542 HN LEU 542 -6.244 -4.515 3.733 297 HA LEU 542 HA LEU 542 -5.516 -6.013 5.952 298 HB2 LEU 542 HB2 LEU 542 -8.144 -5.051 4.943 299 HB3 LEU 542 HB1 LEU 542 -8.072 -6.075 6.363 300 HG LEU 542 HG LEU 542 -6.562 -3.476 6.108 301 HD11 LEU 542 HD11 LEU 542 -9.213 -4.035 7.428 302 HD12 LEU 542 HD12 LEU 542 -8.946 -3.035 6.004 303 HD13 LEU 542 HD13 LEU 542 -8.300 -2.533 7.564 304 HD21 LEU 542 HD21 LEU 542 -6.340 -3.687 8.527 305 HD22 LEU 542 HD22 LEU 542 -5.642 -5.084 7.709 306 HD23 LEU 542 HD23 LEU 542 -7.220 -5.215 8.484 307 HA PRO 543 HA PRO 543 -8.274 -9.698 4.322 308 HB2 PRO 543 HB2 PRO 543 -7.672 -9.510 1.422 309 HB3 PRO 543 HB1 PRO 543 -9.179 -9.947 2.238 310 HG2 PRO 543 HG2 PRO 543 -8.936 -7.575 1.088 311 HG3 PRO 543 HG3 PRO 543 -9.740 -7.727 2.664 312 HD2 PRO 543 HD2 PRO 543 -6.943 -6.828 2.044 313 HD3 PRO 543 HD3 PRO 543 -8.129 -6.120 3.161 314 H PHE 544 HN PHE 544 -5.190 -8.775 2.808 315 HA PHE 544 HA PHE 544 -4.344 -11.575 2.880 316 HB2 PHE 544 HB2 PHE 544 -2.956 -9.122 1.792 317 HB3 PHE 544 HB3 PHE 544 -2.328 -10.761 1.698 318 HD1 PHE 544 HD1 PHE 544 -3.531 -12.440 0.311 319 HD2 PHE 544 HD2 PHE 544 -4.504 -8.303 0.243 320 HE1 PHE 544 HE1 PHE 544 -4.675 -12.751 -1.845 321 HE2 PHE 544 HE2 PHE 544 -5.656 -8.603 -1.907 322 HZ PHE 544 HZ PHE 544 -5.733 -10.828 -2.960 323 H GLY 545 HN GLY 545 -4.313 -8.896 4.875 324 HA2 GLY 545 HA2 GLY 545 -2.837 -9.984 6.924 325 HA3 GLY 545 HA3 GLY 545 -1.673 -9.100 5.949 326 H LYS 546 HN LYS 546 -2.499 -8.571 8.672 327 HA LYS 546 HA LYS 546 -4.351 -6.451 8.780 328 HB2 LYS 546 HB2 LYS 546 -3.757 -7.794 10.730 329 HB3 LYS 546 HB3 LYS 546 -2.116 -7.169 10.678 330 HG2 LYS 546 HG2 LYS 546 -2.888 -4.957 11.217 331 HG3 LYS 546 HG3 LYS 546 -4.571 -5.488 11.131 332 HD2 LYS 546 HD2 LYS 546 -4.173 -7.030 12.987 333 HD3 LYS 546 HD3 LYS 546 -2.496 -6.494 13.073 334 HE2 LYS 546 HE2 LYS 546 -3.192 -4.271 13.677 335 HE3 LYS 546 HE3 LYS 546 -4.888 -4.701 13.449 336 HZ1 LYS 546 HZ1 LYS 546 -4.250 -4.723 15.784 337 HZ2 LYS 546 HZ2 LYS 546 -3.075 -5.896 15.472 338 HZ3 LYS 546 HZ3 LYS 546 -4.709 -6.264 15.264 339 H VAL 547 HN VAL 547 -4.177 -4.359 8.387 340 HA VAL 547 HA VAL 547 -1.641 -3.249 7.525 341 HB VAL 547 HB VAL 547 -4.452 -2.138 7.519 342 HG11 VAL 547 HG11 VAL 547 -1.974 -0.934 6.287 343 HG12 VAL 547 HG12 VAL 547 -2.780 -0.344 7.741 344 HG13 VAL 547 HG13 VAL 547 -3.620 -0.297 6.191 345 HG21 VAL 547 HG21 VAL 547 -4.270 -3.872 5.927 346 HG22 VAL 547 HG22 VAL 547 -2.686 -3.316 5.392 347 HG23 VAL 547 HG23 VAL 547 -4.123 -2.365 5.026 348 H THR 548 HN THR 548 -0.342 -2.385 9.001 349 HA THR 548 HA THR 548 -1.466 -1.223 11.417 350 HB THR 548 HB THR 548 0.988 -0.989 12.046 351 HG1 THR 548 HG1 THR 548 2.351 -1.340 10.455 352 HG21 THR 548 HG21 THR 548 -0.394 -2.827 12.870 353 HG22 THR 548 HG22 THR 548 1.240 -3.389 12.519 354 HG23 THR 548 HG23 THR 548 -0.073 -3.744 11.398 355 H ASN 549 HN ASN 549 0.293 -0.240 8.544 356 HA ASN 549 HA ASN 549 -0.387 2.539 9.142 357 HB2 ASN 549 HB2 ASN 549 2.430 1.577 8.623 358 HB3 ASN 549 HB3 ASN 549 1.945 3.256 8.425 359 HD21 ASN 549 HD21 ASN 549 1.510 4.488 10.227 360 HD22 ASN 549 HD22 ASN 549 1.917 3.984 11.828 361 H TYR 550 HN TYR 550 -0.205 3.959 7.302 362 HA TYR 550 HA TYR 550 0.173 2.886 4.670 363 HB2 TYR 550 HB2 TYR 550 -2.174 3.285 3.944 364 HB3 TYR 550 HB3 TYR 550 -2.041 1.980 5.118 365 HD1 TYR 550 HD1 TYR 550 -3.861 4.819 4.253 366 HD2 TYR 550 HD2 TYR 550 -2.313 2.793 7.652 367 HE1 TYR 550 HE1 TYR 550 -5.518 5.941 5.684 368 HE2 TYR 550 HE2 TYR 550 -3.968 3.905 9.081 369 HH TYR 550 HH TYR 550 -5.370 5.794 9.117 370 H ILE 551 HN ILE 551 0.055 4.569 3.038 371 HA ILE 551 HA ILE 551 -0.244 7.314 4.009 372 HB ILE 551 HB ILE 551 2.210 6.346 2.531 373 HG12 ILE 551 HG12 ILE 551 2.008 7.326 5.388 374 HG13 ILE 551 HG13 ILE 551 2.183 5.639 4.921 375 HG21 ILE 551 HG21 ILE 551 3.063 8.614 2.885 376 HG22 ILE 551 HG22 ILE 551 1.524 9.064 3.620 377 HG23 ILE 551 HG23 ILE 551 1.586 8.598 1.920 378 HD11 ILE 551 HD11 ILE 551 4.294 6.591 5.642 379 HD12 ILE 551 HD12 ILE 551 4.176 7.829 4.390 380 HD13 ILE 551 HD13 ILE 551 4.355 6.132 3.940 381 H LEU 552 HN LEU 552 -1.220 8.547 2.397 382 HA LEU 552 HA LEU 552 -1.439 7.232 -0.222 383 HB2 LEU 552 HB2 LEU 552 -3.319 9.114 1.190 384 HB3 LEU 552 HB1 LEU 552 -3.448 8.738 -0.519 385 HG LEU 552 HG LEU 552 -3.865 6.911 1.827 386 HD11 LEU 552 HD11 LEU 552 -5.571 7.829 -0.473 387 HD12 LEU 552 HD12 LEU 552 -5.715 8.326 1.213 388 HD13 LEU 552 HD13 LEU 552 -6.058 6.660 0.750 389 HD21 LEU 552 HD21 LEU 552 -3.731 6.166 -1.095 390 HD22 LEU 552 HD22 LEU 552 -4.236 5.110 0.225 391 HD23 LEU 552 HD23 LEU 552 -2.572 5.684 0.146 392 H MET 553 HN MET 553 -0.329 8.215 -1.847 393 HA MET 553 HA MET 553 0.397 11.034 -1.359 394 HB2 MET 553 HB2 MET 553 1.854 8.991 -3.050 395 HB3 MET 553 HB3 MET 553 2.336 10.668 -2.831 396 HG2 MET 553 HG2 MET 553 2.690 10.262 -0.454 397 HG3 MET 553 HG3 MET 553 2.194 8.583 -0.666 398 HE1 MET 553 HE1 MET 553 3.542 6.824 -2.118 399 HE2 MET 553 HE2 MET 553 5.052 7.188 -2.954 400 HE3 MET 553 HE3 MET 553 3.544 7.909 -3.508 401 H LYS 554 HN LYS 554 -1.719 11.419 -2.194 402 HA LYS 554 HA LYS 554 -2.698 11.098 -4.652 403 HB2 LYS 554 HB2 LYS 554 -2.834 13.892 -3.692 404 HB3 LYS 554 HB3 LYS 554 -4.121 12.807 -4.193 405 HG2 LYS 554 HG2 LYS 554 -2.680 12.701 -1.548 406 HG3 LYS 554 HG3 LYS 554 -4.266 13.410 -1.825 407 HD2 LYS 554 HD2 LYS 554 -5.061 11.164 -2.578 408 HD3 LYS 554 HD3 LYS 554 -3.495 10.494 -2.094 409 HE2 LYS 554 HE2 LYS 554 -5.224 10.206 -0.358 410 HE3 LYS 554 HE3 LYS 554 -3.871 11.190 0.195 411 HZ1 LYS 554 HZ1 LYS 554 -5.188 13.170 -0.153 412 HZ2 LYS 554 HZ2 LYS 554 -6.034 12.106 0.852 413 HZ3 LYS 554 HZ3 LYS 554 -6.470 12.259 -0.771 414 H SER 555 HN SER 555 0.177 12.949 -3.960 415 HA SER 555 HA SER 555 -0.041 14.733 -6.164 416 HB2 SER 555 HB2 SER 555 2.331 15.247 -5.584 417 HB3 SER 555 HB3 SER 555 1.242 15.345 -4.199 418 HG SER 555 HG SER 555 3.400 14.042 -4.180 419 H THR 556 HN THR 556 1.762 11.725 -5.544 420 HA THR 556 HA THR 556 2.739 11.771 -8.293 421 HB THR 556 HB THR 556 4.228 9.912 -7.544 422 HG1 THR 556 HG1 THR 556 4.163 10.191 -4.946 423 HG21 THR 556 HG21 THR 556 4.355 12.415 -5.859 424 HG22 THR 556 HG22 THR 556 4.970 12.256 -7.505 425 HG23 THR 556 HG23 THR 556 5.694 11.318 -6.199 426 H ASN 557 HN ASN 557 0.012 10.743 -7.003 427 HA ASN 557 HA ASN 557 -1.553 9.159 -7.480 428 HB2 ASN 557 HB2 ASN 557 0.232 8.788 -9.895 429 HB3 ASN 557 HB3 ASN 557 -1.281 7.917 -9.682 430 HD21 ASN 557 HD21 ASN 557 -2.127 8.833 -11.536 431 HD22 ASN 557 HD22 ASN 557 -2.657 10.479 -11.594 432 H GLN 558 HN GLN 558 0.356 8.516 -5.649 433 HA GLN 558 HA GLN 558 0.660 5.623 -5.958 434 HB2 GLN 558 HB2 GLN 558 2.899 7.544 -5.344 435 HB3 GLN 558 HB3 GLN 558 3.013 5.806 -5.088 436 HG2 GLN 558 HG2 GLN 558 2.656 5.423 -7.462 437 HG3 GLN 558 HG3 GLN 558 2.496 7.160 -7.719 438 HE21 GLN 558 HE21 GLN 558 4.601 7.928 -5.936 439 HE22 GLN 558 HE22 GLN 558 6.093 7.460 -6.676 440 H ALA 559 HN ALA 559 1.413 4.623 -3.804 441 HA ALA 559 HA ALA 559 0.905 6.218 -1.468 442 HB1 ALA 559 HB1 ALA 559 -1.365 5.800 -2.117 443 HB2 ALA 559 HB2 ALA 559 -0.985 4.828 -0.687 444 HB3 ALA 559 HB3 ALA 559 -1.038 4.069 -2.285 445 H PHE 560 HN PHE 560 1.078 4.916 0.508 446 HA PHE 560 HA PHE 560 2.831 2.557 0.142 447 HB2 PHE 560 HB2 PHE 560 2.946 4.669 2.295 448 HB3 PHE 560 HB3 PHE 560 3.817 3.150 2.381 449 HD1 PHE 560 HD1 PHE 560 5.481 2.640 0.517 450 HD2 PHE 560 HD2 PHE 560 3.893 6.514 1.256 451 HE1 PHE 560 HE1 PHE 560 7.392 3.645 -0.662 452 HE2 PHE 560 HE2 PHE 560 5.794 7.525 0.073 453 HZ PHE 560 HZ PHE 560 7.549 6.092 -0.887 454 H LEU 561 HN LEU 561 2.635 0.848 1.586 455 HA LEU 561 HA LEU 561 0.369 0.900 3.440 456 HB2 LEU 561 HB2 LEU 561 -0.436 0.047 1.269 457 HB3 LEU 561 HB1 LEU 561 0.805 -1.186 1.300 458 HG LEU 561 HG LEU 561 -0.257 -2.181 3.297 459 HD11 LEU 561 HD11 LEU 561 -1.308 -0.202 4.220 460 HD12 LEU 561 HD12 LEU 561 -2.525 -1.443 3.913 461 HD13 LEU 561 HD13 LEU 561 -2.362 -0.076 2.811 462 HD21 LEU 561 HD21 LEU 561 -0.792 -2.908 0.973 463 HD22 LEU 561 HD22 LEU 561 -2.187 -1.827 1.004 464 HD23 LEU 561 HD23 LEU 561 -2.099 -3.183 2.126 465 H GLU 562 HN GLU 562 1.159 0.289 5.329 466 HA GLU 562 HA GLU 562 3.381 -1.626 5.414 467 HB2 GLU 562 HB2 GLU 562 3.526 0.509 6.750 468 HB3 GLU 562 HB3 GLU 562 2.219 -0.111 7.747 469 HG2 GLU 562 HG2 GLU 562 3.616 -2.076 8.288 470 HG3 GLU 562 HG3 GLU 562 4.938 -1.346 7.382 471 H MET 563 HN MET 563 3.062 -3.628 5.851 472 HA MET 563 HA MET 563 0.484 -4.496 6.948 473 HB2 MET 563 HB2 MET 563 2.518 -6.087 5.369 474 HB3 MET 563 HB3 MET 563 0.862 -6.558 5.748 475 HG2 MET 563 HG2 MET 563 -0.051 -5.091 4.222 476 HG3 MET 563 HG3 MET 563 1.369 -4.053 4.222 477 HE1 MET 563 HE1 MET 563 1.283 -5.188 0.508 478 HE2 MET 563 HE2 MET 563 1.425 -3.816 1.610 479 HE3 MET 563 HE3 MET 563 -0.071 -4.749 1.548 480 H ALA 564 HN ALA 564 0.507 -6.189 8.515 481 HA ALA 564 HA ALA 564 2.180 -5.471 10.631 482 HB1 ALA 564 HB1 ALA 564 -0.086 -6.340 10.909 483 HB2 ALA 564 HB2 ALA 564 1.083 -7.226 11.889 484 HB3 ALA 564 HB3 ALA 564 0.466 -7.934 10.397 485 H TYR 565 HN TYR 565 2.573 -7.975 8.254 486 HA TYR 565 HA TYR 565 5.161 -8.618 9.437 487 HB2 TYR 565 HB2 TYR 565 3.091 -10.694 8.693 488 HB3 TYR 565 HB3 TYR 565 4.772 -11.051 9.057 489 HD1 TYR 565 HD1 TYR 565 1.510 -10.668 10.399 490 HD2 TYR 565 HD2 TYR 565 5.633 -10.334 11.385 491 HE1 TYR 565 HE1 TYR 565 0.949 -10.836 12.788 492 HE2 TYR 565 HE2 TYR 565 5.082 -10.503 13.774 493 HH TYR 565 HH TYR 565 2.071 -11.508 14.902 494 H THR 566 HN THR 566 6.566 -9.785 7.910 495 HA THR 566 HA THR 566 6.453 -8.544 5.343 496 HB THR 566 HB THR 566 8.610 -9.179 6.502 497 HG1 THR 566 HG1 THR 566 7.999 -9.766 3.807 498 HG21 THR 566 HG21 THR 566 8.087 -11.463 7.141 499 HG22 THR 566 HG22 THR 566 9.475 -11.454 6.054 500 HG23 THR 566 HG23 THR 566 7.883 -11.919 5.451 501 H GLU 567 HN GLU 567 5.408 -11.589 6.607 502 HA GLU 567 HA GLU 567 5.155 -13.095 4.267 503 HB2 GLU 567 HB2 GLU 567 3.348 -14.300 5.536 504 HB3 GLU 567 HB3 GLU 567 4.887 -14.177 6.377 505 HG2 GLU 567 HG2 GLU 567 4.051 -12.416 7.767 506 HG3 GLU 567 HG3 GLU 567 2.548 -12.338 6.851 507 H ALA 568 HN ALA 568 3.191 -10.543 5.595 508 HA ALA 568 HA ALA 568 0.924 -11.012 3.904 509 HB1 ALA 568 HB1 ALA 568 1.690 -8.571 5.505 510 HB2 ALA 568 HB2 ALA 568 0.666 -9.895 6.061 511 HB3 ALA 568 HB3 ALA 568 0.126 -8.855 4.743 512 H ALA 569 HN ALA 569 3.754 -8.923 3.888 513 HA ALA 569 HA ALA 569 3.001 -7.257 1.759 514 HB1 ALA 569 HB1 ALA 569 5.766 -7.994 2.709 515 HB2 ALA 569 HB2 ALA 569 4.765 -6.694 3.356 516 HB3 ALA 569 HB3 ALA 569 5.350 -6.613 1.694 517 H GLN 570 HN GLN 570 4.954 -10.212 1.860 518 HA GLN 570 HA GLN 570 5.597 -10.150 -0.901 519 HB2 GLN 570 HB2 GLN 570 6.326 -12.497 -0.555 520 HB3 GLN 570 HB3 GLN 570 7.001 -11.383 0.623 521 HG2 GLN 570 HG2 GLN 570 5.317 -12.102 2.251 522 HG3 GLN 570 HG3 GLN 570 4.680 -13.243 1.068 523 HE21 GLN 570 HE21 GLN 570 5.910 -15.030 0.492 524 HE22 GLN 570 HE22 GLN 570 7.199 -15.607 1.489 525 H ALA 571 HN ALA 571 3.004 -11.607 0.961 526 HA ALA 571 HA ALA 571 1.970 -13.277 -1.051 527 HB1 ALA 571 HB1 ALA 571 -0.040 -13.376 0.313 528 HB2 ALA 571 HB2 ALA 571 0.509 -11.985 1.248 529 HB3 ALA 571 HB3 ALA 571 1.401 -13.504 1.321 530 H MET 572 HN MET 572 1.217 -9.930 -0.141 531 HA MET 572 HA MET 572 -0.884 -9.655 -2.036 532 HB2 MET 572 HB2 MET 572 0.737 -7.415 -0.832 533 HB3 MET 572 HB3 MET 572 -0.889 -7.320 -1.499 534 HG2 MET 572 HG2 MET 572 -1.553 -8.972 0.306 535 HG3 MET 572 HG3 MET 572 0.010 -8.624 1.039 536 HE1 MET 572 HE1 MET 572 -1.924 -8.205 3.057 537 HE2 MET 572 HE2 MET 572 -1.816 -6.514 3.543 538 HE3 MET 572 HE3 MET 572 -0.348 -7.427 3.198 539 H VAL 573 HN VAL 573 2.569 -8.790 -2.094 540 HA VAL 573 HA VAL 573 2.539 -7.415 -4.537 541 HB VAL 573 HB VAL 573 4.768 -9.018 -3.264 542 HG11 VAL 573 HG11 VAL 573 4.891 -7.042 -5.541 543 HG12 VAL 573 HG12 VAL 573 5.203 -8.776 -5.641 544 HG13 VAL 573 HG13 VAL 573 6.287 -7.735 -4.716 545 HG21 VAL 573 HG21 VAL 573 5.611 -6.785 -2.605 546 HG22 VAL 573 HG22 VAL 573 4.054 -7.178 -1.876 547 HG23 VAL 573 HG23 VAL 573 4.132 -6.070 -3.246 548 H GLN 574 HN GLN 574 3.168 -10.841 -3.827 549 HA GLN 574 HA GLN 574 3.567 -11.607 -6.511 550 HB2 GLN 574 HB2 GLN 574 2.671 -13.245 -4.135 551 HB3 GLN 574 HB3 GLN 574 3.144 -13.921 -5.689 552 HG2 GLN 574 HG2 GLN 574 4.876 -12.378 -3.773 553 HG3 GLN 574 HG3 GLN 574 4.989 -14.090 -4.178 554 HE21 GLN 574 HE21 GLN 574 6.972 -11.932 -4.406 555 HE22 GLN 574 HE22 GLN 574 7.460 -11.923 -6.056 556 H TYR 575 HN TYR 575 0.702 -11.267 -4.544 557 HA TYR 575 HA TYR 575 -1.047 -12.671 -6.296 558 HB2 TYR 575 HB2 TYR 575 -1.586 -12.246 -3.915 559 HB3 TYR 575 HB3 TYR 575 -1.760 -10.533 -4.277 560 HD1 TYR 575 HD1 TYR 575 -3.766 -9.680 -5.220 561 HD2 TYR 575 HD2 TYR 575 -3.183 -13.883 -4.915 562 HE1 TYR 575 HE1 TYR 575 -6.129 -10.045 -5.784 563 HE2 TYR 575 HE2 TYR 575 -5.546 -14.258 -5.479 564 HH TYR 575 HH TYR 575 -7.681 -13.025 -5.376 565 H TYR 576 HN TYR 576 -0.480 -9.182 -5.783 566 HA TYR 576 HA TYR 576 -2.222 -8.481 -7.929 567 HB2 TYR 576 HB2 TYR 576 -0.323 -6.831 -6.278 568 HB3 TYR 576 HB3 TYR 576 -1.380 -6.152 -7.516 569 HD1 TYR 576 HD1 TYR 576 -3.922 -7.080 -7.264 570 HD2 TYR 576 HD2 TYR 576 -1.094 -6.685 -4.126 571 HE1 TYR 576 HE1 TYR 576 -5.765 -6.923 -5.639 572 HE2 TYR 576 HE2 TYR 576 -2.916 -6.540 -2.491 573 HH TYR 576 HH TYR 576 -5.257 -5.951 -2.402 574 H GLN 577 HN GLN 577 1.071 -9.357 -7.909 575 HA GLN 577 HA GLN 577 1.719 -7.992 -10.350 576 HB2 GLN 577 HB2 GLN 577 3.005 -10.317 -8.938 577 HB3 GLN 577 HB3 GLN 577 3.552 -9.776 -10.520 578 HG2 GLN 577 HG2 GLN 577 3.938 -7.526 -9.564 579 HG3 GLN 577 HG3 GLN 577 3.510 -8.166 -7.980 580 HE21 GLN 577 HE21 GLN 577 4.773 -10.736 -8.492 581 HE22 GLN 577 HE22 GLN 577 6.475 -10.466 -8.380 582 H GLU 578 HN GLU 578 0.433 -11.150 -9.507 583 HA GLU 578 HA GLU 578 0.166 -11.909 -12.288 584 HB2 GLU 578 HB2 GLU 578 -0.923 -13.274 -9.821 585 HB3 GLU 578 HB3 GLU 578 -0.792 -13.971 -11.429 586 HG2 GLU 578 HG2 GLU 578 1.498 -13.144 -9.658 587 HG3 GLU 578 HG3 GLU 578 0.964 -14.793 -9.977 588 H LYS 579 HN LYS 579 -1.950 -10.859 -9.636 589 HA LYS 579 HA LYS 579 -4.026 -10.254 -11.630 590 HB2 LYS 579 HB2 LYS 579 -4.461 -11.334 -8.834 591 HB3 LYS 579 HB3 LYS 579 -5.728 -10.840 -9.945 592 HG2 LYS 579 HG2 LYS 579 -5.105 -12.635 -11.470 593 HG3 LYS 579 HG3 LYS 579 -3.813 -13.123 -10.368 594 HD2 LYS 579 HD2 LYS 579 -5.464 -13.582 -8.629 595 HD3 LYS 579 HD3 LYS 579 -6.759 -13.074 -9.715 596 HE2 LYS 579 HE2 LYS 579 -6.160 -14.889 -11.254 597 HE3 LYS 579 HE3 LYS 579 -4.892 -15.402 -10.142 598 HZ1 LYS 579 HZ1 LYS 579 -6.574 -15.856 -8.482 599 HZ2 LYS 579 HZ2 LYS 579 -6.906 -16.720 -9.894 600 HZ3 LYS 579 HZ3 LYS 579 -7.795 -15.333 -9.526 601 HA PRO 580 HA PRO 580 -2.788 -6.442 -9.366 602 HB2 PRO 580 HB2 PRO 580 -3.598 -4.729 -11.329 603 HB3 PRO 580 HB1 PRO 580 -2.017 -5.517 -11.312 604 HG2 PRO 580 HG2 PRO 580 -4.489 -6.260 -12.825 605 HG3 PRO 580 HG3 PRO 580 -2.802 -6.249 -13.370 606 HD2 PRO 580 HD2 PRO 580 -4.067 -8.521 -12.655 607 HD3 PRO 580 HD3 PRO 580 -2.331 -8.275 -12.370 608 H ALA 581 HN ALA 581 -3.983 -4.684 -8.486 609 HA ALA 581 HA ALA 581 -6.824 -5.277 -8.195 610 HB1 ALA 581 HB1 ALA 581 -5.136 -3.210 -6.783 611 HB2 ALA 581 HB2 ALA 581 -5.441 -4.845 -6.196 612 HB3 ALA 581 HB3 ALA 581 -6.774 -3.700 -6.353 613 H ILE 582 HN ILE 582 -8.447 -3.980 -8.917 614 HA ILE 582 HA ILE 582 -7.624 -1.921 -10.821 615 HB ILE 582 HB ILE 582 -10.321 -3.240 -10.516 616 HG12 ILE 582 HG12 ILE 582 -8.101 -3.820 -12.492 617 HG13 ILE 582 HG13 ILE 582 -8.534 -4.845 -11.129 618 HG21 ILE 582 HG21 ILE 582 -9.168 -1.563 -12.740 619 HG22 ILE 582 HG22 ILE 582 -10.392 -1.045 -11.583 620 HG23 ILE 582 HG23 ILE 582 -10.757 -2.327 -12.737 621 HD11 ILE 582 HD11 ILE 582 -9.438 -5.705 -13.208 622 HD12 ILE 582 HD12 ILE 582 -10.296 -4.188 -13.476 623 HD13 ILE 582 HD13 ILE 582 -10.734 -5.218 -12.115 624 H ILE 583 HN ILE 583 -7.730 0.130 -10.220 625 HA ILE 583 HA ILE 583 -10.088 0.993 -8.667 626 HB ILE 583 HB ILE 583 -7.276 2.093 -8.546 627 HG12 ILE 583 HG12 ILE 583 -7.778 0.156 -7.080 628 HG13 ILE 583 HG13 ILE 583 -7.425 1.621 -6.168 629 HG21 ILE 583 HG21 ILE 583 -8.141 3.856 -7.094 630 HG22 ILE 583 HG22 ILE 583 -9.783 3.275 -7.366 631 HG23 ILE 583 HG23 ILE 583 -8.852 3.939 -8.708 632 HD11 ILE 583 HD11 ILE 583 -9.829 1.970 -5.843 633 HD12 ILE 583 HD12 ILE 583 -9.264 0.441 -5.165 634 HD13 ILE 583 HD13 ILE 583 -10.145 0.458 -6.693 635 H ASN 584 HN ASN 584 -11.413 1.901 -10.112 636 HA ASN 584 HA ASN 584 -12.234 3.309 -11.682 637 HB2 ASN 584 HB2 ASN 584 -9.786 4.889 -10.884 638 HB3 ASN 584 HB3 ASN 584 -11.026 5.508 -11.966 639 HD21 ASN 584 HD21 ASN 584 -11.619 7.159 -10.595 640 HD22 ASN 584 HD22 ASN 584 -12.449 6.893 -9.101 641 H GLY 585 HN GLY 585 -10.712 1.144 -12.562 642 HA2 GLY 585 HA2 GLY 585 -10.182 0.379 -14.680 643 HA3 GLY 585 HA3 GLY 585 -10.087 2.037 -15.241 644 H GLU 586 HN GLU 586 -8.215 1.932 -12.526 645 HA GLU 586 HA GLU 586 -5.807 1.556 -14.152 646 HB2 GLU 586 HB2 GLU 586 -6.162 2.836 -11.437 647 HB3 GLU 586 HB3 GLU 586 -4.645 2.736 -12.317 648 HG2 GLU 586 HG2 GLU 586 -7.108 4.204 -13.232 649 HG3 GLU 586 HG3 GLU 586 -5.673 4.936 -12.517 650 H LYS 587 HN LYS 587 -4.664 -0.212 -13.974 651 HA LYS 587 HA LYS 587 -5.061 -2.148 -11.910 652 HB2 LYS 587 HB2 LYS 587 -2.853 -1.973 -13.964 653 HB3 LYS 587 HB3 LYS 587 -3.270 -3.390 -13.013 654 HG2 LYS 587 HG2 LYS 587 -4.989 -2.076 -15.109 655 HG3 LYS 587 HG3 LYS 587 -4.116 -3.601 -15.264 656 HD2 LYS 587 HD2 LYS 587 -5.478 -4.465 -13.342 657 HD3 LYS 587 HD3 LYS 587 -6.439 -2.989 -13.445 658 HE2 LYS 587 HE2 LYS 587 -6.078 -5.033 -15.634 659 HE3 LYS 587 HE3 LYS 587 -7.511 -4.833 -14.631 660 HZ1 LYS 587 HZ1 LYS 587 -7.780 -2.604 -15.552 661 HZ2 LYS 587 HZ2 LYS 587 -7.811 -3.783 -16.762 662 HZ3 LYS 587 HZ3 LYS 587 -6.427 -2.835 -16.543 663 H LEU 588 HN LEU 588 -4.329 -1.853 -9.900 664 HA LEU 588 HA LEU 588 -2.184 -0.052 -9.313 665 HB2 LEU 588 HB2 LEU 588 -3.514 -2.030 -7.475 666 HB3 LEU 588 HB1 LEU 588 -2.540 -0.656 -7.002 667 HG LEU 588 HG LEU 588 -5.297 -0.625 -8.205 668 HD11 LEU 588 HD11 LEU 588 -4.178 0.400 -5.603 669 HD12 LEU 588 HD12 LEU 588 -5.149 -1.056 -5.816 670 HD13 LEU 588 HD13 LEU 588 -5.854 0.527 -6.133 671 HD21 LEU 588 HD21 LEU 588 -3.462 1.708 -7.670 672 HD22 LEU 588 HD22 LEU 588 -5.165 1.816 -8.117 673 HD23 LEU 588 HD23 LEU 588 -3.996 1.144 -9.254 674 H LEU 589 HN LEU 589 -0.166 -0.470 -8.660 675 HA LEU 589 HA LEU 589 0.732 -3.273 -8.806 676 HB2 LEU 589 HB2 LEU 589 1.753 -1.955 -10.550 677 HB3 LEU 589 HB1 LEU 589 2.237 -0.724 -9.398 678 HG LEU 589 HG LEU 589 3.749 -2.393 -8.329 679 HD11 LEU 589 HD11 LEU 589 4.290 -4.427 -9.618 680 HD12 LEU 589 HD12 LEU 589 2.931 -4.077 -10.686 681 HD13 LEU 589 HD13 LEU 589 2.643 -4.434 -8.984 682 HD21 LEU 589 HD21 LEU 589 4.209 -1.930 -11.271 683 HD22 LEU 589 HD22 LEU 589 5.442 -2.319 -10.071 684 HD23 LEU 589 HD23 LEU 589 4.575 -0.786 -9.980 685 H ILE 590 HN ILE 590 0.916 -4.047 -6.801 686 HA ILE 590 HA ILE 590 2.031 -2.324 -4.705 687 HB ILE 590 HB ILE 590 0.683 -5.022 -4.434 688 HG12 ILE 590 HG12 ILE 590 -0.325 -2.212 -3.989 689 HG13 ILE 590 HG13 ILE 590 -0.976 -3.422 -5.081 690 HG21 ILE 590 HG21 ILE 590 0.670 -4.525 -2.023 691 HG22 ILE 590 HG22 ILE 590 1.613 -3.068 -2.334 692 HG23 ILE 590 HG23 ILE 590 2.304 -4.654 -2.673 693 HD11 ILE 590 HD11 ILE 590 -2.436 -3.206 -3.200 694 HD12 ILE 590 HD12 ILE 590 -1.097 -3.438 -2.070 695 HD13 ILE 590 HD13 ILE 590 -1.625 -4.771 -3.102 696 H ARG 591 HN ARG 591 4.125 -2.526 -4.254 697 HA ARG 591 HA ARG 591 5.441 -5.111 -4.509 698 HB2 ARG 591 HB2 ARG 591 6.171 -2.670 -6.100 699 HB3 ARG 591 HB3 ARG 591 7.394 -3.853 -5.665 700 HG2 ARG 591 HG2 ARG 591 5.905 -5.588 -6.755 701 HG3 ARG 591 HG3 ARG 591 4.979 -4.234 -7.406 702 HD2 ARG 591 HD2 ARG 591 6.666 -5.054 -8.994 703 HD3 ARG 591 HD3 ARG 591 6.956 -3.379 -8.520 704 HE ARG 591 HE ARG 591 8.430 -4.968 -6.790 705 HH11 ARG 591 HH11 ARG 591 8.331 -4.371 -10.238 706 HH12 ARG 591 HH12 ARG 591 10.029 -4.648 -10.463 707 HH21 ARG 591 HH21 ARG 591 10.662 -5.309 -7.071 708 HH22 ARG 591 HH22 ARG 591 11.361 -5.175 -8.652 709 H MET 592 HN MET 592 7.734 -4.956 -3.666 710 HA MET 592 HA MET 592 7.612 -3.584 -1.116 711 HB2 MET 592 HB2 MET 592 9.586 -5.515 -2.324 712 HB3 MET 592 HB3 MET 592 9.854 -4.742 -0.771 713 HG2 MET 592 HG2 MET 592 7.669 -5.716 -0.019 714 HG3 MET 592 HG3 MET 592 7.651 -6.640 -1.521 715 HE1 MET 592 HE1 MET 592 7.459 -7.978 1.359 716 HE2 MET 592 HE2 MET 592 8.553 -9.348 1.162 717 HE3 MET 592 HE3 MET 592 7.455 -8.901 -0.143 718 H SER 593 HN SER 593 8.985 -1.947 -0.427 719 HA SER 593 HA SER 593 9.989 -0.324 -2.598 720 HB2 SER 593 HB2 SER 593 8.651 0.730 -0.843 721 HB3 SER 593 HB3 SER 593 9.843 0.251 0.364 722 HG SER 593 HG SER 593 9.846 2.376 -1.319 723 H THR 594 HN THR 594 11.956 0.041 -3.089 724 HA THR 594 HA THR 594 14.100 -1.398 -1.744 725 HB THR 594 HB THR 594 15.458 -0.553 -3.726 726 HG1 THR 594 HG1 THR 594 14.491 0.713 -5.120 727 HG21 THR 594 HG21 THR 594 14.475 -2.191 -5.275 728 HG22 THR 594 HG22 THR 594 13.023 -2.257 -4.276 729 HG23 THR 594 HG23 THR 594 14.564 -2.828 -3.632 730 H ARG 595 HN ARG 595 12.722 1.655 -1.589 731 HA ARG 595 HA ARG 595 15.292 3.038 -1.256 732 HB2 ARG 595 HB2 ARG 595 12.516 4.069 -1.804 733 HB3 ARG 595 HB3 ARG 595 13.866 5.122 -1.410 734 HG2 ARG 595 HG2 ARG 595 15.064 4.324 -3.384 735 HG3 ARG 595 HG3 ARG 595 13.709 3.262 -3.769 736 HD2 ARG 595 HD2 ARG 595 13.718 5.379 -5.071 737 HD3 ARG 595 HD3 ARG 595 12.255 5.138 -4.116 738 HE ARG 595 HE ARG 595 13.921 6.624 -2.516 739 HH11 ARG 595 HH11 ARG 595 12.613 7.030 -5.739 740 HH12 ARG 595 HH12 ARG 595 12.477 8.751 -5.599 741 HH21 ARG 595 HH21 ARG 595 13.758 8.881 -2.337 742 HH22 ARG 595 HH22 ARG 595 13.125 9.809 -3.663 743 H TYR 596 HN TYR 596 12.379 2.193 0.494 744 HA TYR 596 HA TYR 596 13.489 3.625 2.820 745 HB2 TYR 596 HB2 TYR 596 10.615 3.389 1.959 746 HB3 TYR 596 HB3 TYR 596 11.080 3.874 3.586 747 HD1 TYR 596 HD1 TYR 596 10.474 4.987 0.260 748 HD2 TYR 596 HD2 TYR 596 12.644 5.905 3.797 749 HE1 TYR 596 HE1 TYR 596 10.727 7.310 -0.501 750 HE2 TYR 596 HE2 TYR 596 12.901 8.232 3.048 751 HH TYR 596 HH TYR 596 12.890 9.478 0.878 752 H LYS 597 HN LYS 597 13.115 2.791 4.878 753 HA LYS 597 HA LYS 597 12.774 -0.128 4.874 754 HB2 LYS 597 HB2 LYS 597 14.441 1.663 6.636 755 HB3 LYS 597 HB3 LYS 597 14.103 -0.018 7.038 756 HG2 LYS 597 HG2 LYS 597 16.268 0.128 6.012 757 HG3 LYS 597 HG3 LYS 597 15.170 -0.696 4.909 758 HD2 LYS 597 HD2 LYS 597 14.842 1.516 3.752 759 HD3 LYS 597 HD3 LYS 597 16.155 2.146 4.746 760 HE2 LYS 597 HE2 LYS 597 16.423 -0.263 2.963 761 HE3 LYS 597 HE3 LYS 597 16.813 1.376 2.447 762 HZ1 LYS 597 HZ1 LYS 597 18.081 -0.065 4.715 763 HZ2 LYS 597 HZ2 LYS 597 18.456 1.502 4.209 764 HZ3 LYS 597 HZ3 LYS 597 18.780 0.190 3.195 765 H GLU 598 HN GLU 598 11.538 2.826 6.189 766 HA GLU 598 HA GLU 598 9.536 1.267 7.619 767 HB2 GLU 598 HB2 GLU 598 11.288 1.717 9.289 768 HB3 GLU 598 HB3 GLU 598 11.147 3.439 8.968 769 HG2 GLU 598 HG2 GLU 598 8.910 3.481 9.845 770 HG3 GLU 598 HG3 GLU 598 8.913 1.723 10.023 771 H LEU 599 HN LEU 599 7.606 2.320 7.937 772 HA LEU 599 HA LEU 599 7.284 4.817 6.439 773 HB2 LEU 599 HB2 LEU 599 5.227 2.780 7.286 774 HB3 LEU 599 HB1 LEU 599 4.874 4.251 6.396 775 HG LEU 599 HG LEU 599 6.533 1.920 5.438 776 HD11 LEU 599 HD11 LEU 599 4.192 1.448 5.318 777 HD12 LEU 599 HD12 LEU 599 4.786 1.795 3.696 778 HD13 LEU 599 HD13 LEU 599 3.870 3.015 4.579 779 HD21 LEU 599 HD21 LEU 599 7.505 3.998 4.649 780 HD22 LEU 599 HD22 LEU 599 5.926 4.534 4.071 781 HD23 LEU 599 HD23 LEU 599 6.713 3.141 3.330 782 H GLN 600 HN GLN 600 6.853 6.638 7.371 783 HA GLN 600 HA GLN 600 6.016 6.646 10.191 784 HB2 GLN 600 HB2 GLN 600 8.162 7.601 10.113 785 HB3 GLN 600 HB3 GLN 600 7.836 8.439 8.604 786 HG2 GLN 600 HG2 GLN 600 6.439 10.032 9.723 787 HG3 GLN 600 HG3 GLN 600 6.556 9.134 11.237 788 HE21 GLN 600 HE21 GLN 600 8.299 11.116 8.942 789 HE22 GLN 600 HE22 GLN 600 9.573 11.574 10.017 790 H LEU 601 HN LEU 601 4.161 7.750 10.723 791 HA LEU 601 HA LEU 601 2.589 8.770 8.501 792 HB2 LEU 601 HB2 LEU 601 1.882 8.292 11.392 793 HB3 LEU 601 HB1 LEU 601 0.770 8.956 10.214 794 HG LEU 601 HG LEU 601 1.970 6.191 10.208 795 HD11 LEU 601 HD11 LEU 601 -0.351 5.479 10.447 796 HD12 LEU 601 HD12 LEU 601 -0.870 7.164 10.486 797 HD13 LEU 601 HD13 LEU 601 0.137 6.521 11.784 798 HD21 LEU 601 HD21 LEU 601 0.557 5.811 8.215 799 HD22 LEU 601 HD22 LEU 601 1.861 6.961 7.927 800 HD23 LEU 601 HD23 LEU 601 0.212 7.540 8.165 801 H LYS 602 HN LYS 602 3.455 10.734 7.976 802 HA LYS 602 HA LYS 602 3.737 12.826 9.935 803 HB2 LYS 602 HB2 LYS 602 3.727 12.924 6.912 804 HB3 LYS 602 HB3 LYS 602 4.195 14.246 7.971 805 HG2 LYS 602 HG2 LYS 602 5.581 11.577 7.864 806 HG3 LYS 602 HG3 LYS 602 6.107 13.017 6.997 807 HD2 LYS 602 HD2 LYS 602 5.831 12.786 9.994 808 HD3 LYS 602 HD3 LYS 602 7.346 12.672 9.102 809 HE2 LYS 602 HE2 LYS 602 5.521 15.072 9.165 810 HE3 LYS 602 HE3 LYS 602 7.016 14.897 10.080 811 HZ1 LYS 602 HZ1 LYS 602 7.351 16.200 8.084 812 HZ2 LYS 602 HZ2 LYS 602 6.800 14.924 7.121 813 HZ3 LYS 602 HZ3 LYS 602 8.233 14.760 8.001 814 H LYS 603 HN LYS 603 1.176 11.422 8.331 815 HA LYS 603 HA LYS 603 -0.542 13.765 8.781 816 HB2 LYS 603 HB2 LYS 603 -0.706 11.784 6.492 817 HB3 LYS 603 HB3 LYS 603 -1.887 13.045 6.815 818 HG2 LYS 603 HG2 LYS 603 1.016 13.590 6.237 819 HG3 LYS 603 HG3 LYS 603 -0.247 13.567 5.005 820 HD2 LYS 603 HD2 LYS 603 -1.359 15.420 5.986 821 HD3 LYS 603 HD3 LYS 603 -0.373 15.323 7.446 822 HE2 LYS 603 HE2 LYS 603 0.312 17.172 5.983 823 HE3 LYS 603 HE3 LYS 603 1.596 15.986 6.201 824 HZ1 LYS 603 HZ1 LYS 603 1.036 15.053 4.040 825 HZ2 LYS 603 HZ2 LYS 603 1.435 16.688 3.907 826 HZ3 LYS 603 HZ3 LYS 603 -0.185 16.206 3.829 827 HA PRO 604 HA PRO 604 -2.925 10.903 11.190 828 HB2 PRO 604 HB2 PRO 604 -5.288 12.183 11.291 829 HB3 PRO 604 HB1 PRO 604 -3.856 12.793 12.129 830 HG2 PRO 604 HG2 PRO 604 -5.036 13.663 9.521 831 HG3 PRO 604 HG3 PRO 604 -4.378 14.653 10.837 832 HD2 PRO 604 HD2 PRO 604 -2.989 14.041 8.563 833 HD3 PRO 604 HD3 PRO 604 -2.219 14.382 10.124 834 H GLY 605 HN GLY 605 -4.543 9.325 11.047 835 HA2 GLY 605 HA2 GLY 605 -5.925 9.074 8.456 836 HA3 GLY 605 HA3 GLY 605 -4.974 7.743 9.098 837 H LYS 606 HN LYS 606 -7.228 6.903 8.662 838 HA LYS 606 HA LYS 606 -9.089 7.312 10.893 839 HB2 LYS 606 HB2 LYS 606 -9.477 5.471 8.533 840 HB3 LYS 606 HB3 LYS 606 -10.708 6.182 9.567 841 HG2 LYS 606 HG2 LYS 606 -8.985 7.691 7.614 842 HG3 LYS 606 HG3 LYS 606 -10.658 7.204 7.347 843 HD2 LYS 606 HD2 LYS 606 -11.384 8.594 9.193 844 HD3 LYS 606 HD3 LYS 606 -9.713 9.027 9.556 845 HE2 LYS 606 HE2 LYS 606 -11.187 9.651 6.999 846 HE3 LYS 606 HE3 LYS 606 -10.861 10.792 8.303 847 HZ1 LYS 606 HZ1 LYS 606 -8.831 9.422 6.610 848 HZ2 LYS 606 HZ2 LYS 606 -8.476 10.433 7.923 849 HZ3 LYS 606 HZ3 LYS 606 -9.250 11.061 6.561 850 H ASN 607 HN ASN 607 -9.922 5.376 12.059 851 HA ASN 607 HA ASN 607 -7.987 3.523 12.827 852 HB2 ASN 607 HB2 ASN 607 -9.880 4.032 14.240 853 HB3 ASN 607 HB3 ASN 607 -11.005 3.460 13.017 854 HD21 ASN 607 HD21 ASN 607 -11.937 2.017 14.446 855 HD22 ASN 607 HD22 ASN 607 -11.139 0.568 14.955 856 H VAL 608 HN VAL 608 -7.217 1.790 11.855 857 HA VAL 608 HA VAL 608 -8.168 1.037 9.274 858 HB VAL 608 HB VAL 608 -6.036 -0.233 11.002 859 HG11 VAL 608 HG11 VAL 608 -6.754 -1.799 9.321 860 HG12 VAL 608 HG12 VAL 608 -5.177 -1.148 8.865 861 HG13 VAL 608 HG13 VAL 608 -6.640 -0.564 8.073 862 HG21 VAL 608 HG21 VAL 608 -5.545 2.095 10.508 863 HG22 VAL 608 HG22 VAL 608 -5.831 1.815 8.789 864 HG23 VAL 608 HG23 VAL 608 -4.466 1.038 9.596 865 H ALA 609 HN ALA 609 -8.707 -0.124 12.495 866 HA ALA 609 HA ALA 609 -9.641 -2.721 11.863 867 HB1 ALA 609 HB1 ALA 609 -10.704 -2.684 14.049 868 HB2 ALA 609 HB2 ALA 609 -10.469 -0.940 14.152 869 HB3 ALA 609 HB3 ALA 609 -9.075 -2.017 14.145 870 H ALA 610 HN ALA 610 -11.183 0.437 11.938 871 HA ALA 610 HA ALA 610 -13.834 -0.406 11.479 872 HB1 ALA 610 HB1 ALA 610 -13.250 1.870 12.210 873 HB2 ALA 610 HB2 ALA 610 -14.255 1.881 10.762 874 HB3 ALA 610 HB3 ALA 610 -12.521 2.178 10.635 875 H ILE 611 HN ILE 611 -11.067 0.008 9.436 876 HA ILE 611 HA ILE 611 -12.425 0.019 6.943 877 HB ILE 611 HB ILE 611 -9.564 -0.744 7.587 878 HG12 ILE 611 HG12 ILE 611 -10.784 1.854 6.617 879 HG13 ILE 611 HG13 ILE 611 -10.164 1.556 8.235 880 HG21 ILE 611 HG21 ILE 611 -9.103 -0.377 5.234 881 HG22 ILE 611 HG22 ILE 611 -10.799 0.002 4.935 882 HG23 ILE 611 HG23 ILE 611 -10.332 -1.627 5.418 883 HD11 ILE 611 HD11 ILE 611 -8.564 2.818 6.996 884 HD12 ILE 611 HD12 ILE 611 -8.590 1.645 5.680 885 HD13 ILE 611 HD13 ILE 611 -7.922 1.193 7.247 886 H ILE 612 HN ILE 612 -11.105 -2.506 9.036 887 HA ILE 612 HA ILE 612 -11.519 -4.728 7.391 888 HB ILE 612 HB ILE 612 -11.979 -4.623 10.384 889 HG12 ILE 612 HG12 ILE 612 -9.424 -5.268 8.901 890 HG13 ILE 612 HG13 ILE 612 -9.746 -3.738 9.712 891 HG21 ILE 612 HG21 ILE 612 -11.300 -6.914 8.546 892 HG22 ILE 612 HG22 ILE 612 -12.831 -6.653 9.383 893 HG23 ILE 612 HG23 ILE 612 -11.372 -7.010 10.306 894 HD11 ILE 612 HD11 ILE 612 -9.557 -6.445 11.014 895 HD12 ILE 612 HD12 ILE 612 -9.929 -4.934 11.846 896 HD13 ILE 612 HD13 ILE 612 -8.354 -5.158 11.083 897 H GLN 613 HN GLN 613 -13.710 -3.001 9.556 898 HA GLN 613 HA GLN 613 -15.987 -4.640 9.209 899 HB2 GLN 613 HB2 GLN 613 -15.917 -1.659 9.712 900 HB3 GLN 613 HB3 GLN 613 -17.253 -2.745 10.062 901 HG2 GLN 613 HG2 GLN 613 -15.967 -3.858 11.760 902 HG3 GLN 613 HG3 GLN 613 -14.541 -2.908 11.349 903 HE21 GLN 613 HE21 GLN 613 -16.191 -0.481 10.953 904 HE22 GLN 613 HE22 GLN 613 -16.564 0.073 12.537 905 H ASP 614 HN ASP 614 -14.710 -1.910 7.463 906 HA ASP 614 HA ASP 614 -16.879 -1.512 5.683 907 HB2 ASP 614 HB2 ASP 614 -14.025 -0.648 5.728 908 HB3 ASP 614 HB3 ASP 614 -14.908 -0.514 4.211 909 H ILE 615 HN ILE 615 -13.900 -3.411 5.420 910 HA ILE 615 HA ILE 615 -14.244 -4.301 2.786 911 HB ILE 615 HB ILE 615 -12.917 -5.727 5.096 912 HG12 ILE 615 HG12 ILE 615 -11.749 -4.039 2.874 913 HG13 ILE 615 HG13 ILE 615 -11.990 -3.501 4.535 914 HG21 ILE 615 HG21 ILE 615 -12.689 -6.245 2.132 915 HG22 ILE 615 HG22 ILE 615 -13.474 -7.295 3.312 916 HG23 ILE 615 HG23 ILE 615 -11.732 -7.026 3.391 917 HD11 ILE 615 HD11 ILE 615 -9.704 -4.100 4.213 918 HD12 ILE 615 HD12 ILE 615 -10.160 -5.683 3.587 919 HD13 ILE 615 HD13 ILE 615 -10.457 -5.283 5.279 920 H HIS 616 HN HIS 616 -15.423 -5.633 5.847 921 HA HIS 616 HA HIS 616 -16.570 -7.953 4.717 922 HB2 HIS 616 HB2 HIS 616 -17.015 -6.509 7.310 923 HB3 HIS 616 HB3 HIS 616 -18.037 -7.867 6.854 924 HD1 HIS 616 HD1 HIS 616 -16.999 -10.217 6.942 925 HD2 HIS 616 HD2 HIS 616 -14.343 -7.179 7.932 926 HE1 HIS 616 HE1 HIS 616 -14.997 -11.365 7.928 927 HE2 HIS 616 HE2 HIS 616 -13.342 -9.523 8.365 928 H SER 617 HN SER 617 -17.699 -4.668 4.995 929 HA SER 617 HA SER 617 -20.385 -5.249 4.212 930 HB2 SER 617 HB2 SER 617 -18.875 -2.632 4.041 931 HB3 SER 617 HB3 SER 617 -20.625 -2.837 3.970 932 HG SER 617 HG SER 617 -19.111 -3.716 6.192 933 H GLN 618 HN GLN 618 -17.400 -4.371 2.605 934 HA GLN 618 HA GLN 618 -18.582 -3.887 0.043 935 HB2 GLN 618 HB2 GLN 618 -15.752 -4.156 1.028 936 HB3 GLN 618 HB3 GLN 618 -16.120 -3.955 -0.679 937 HG2 GLN 618 HG2 GLN 618 -16.985 -1.810 -0.361 938 HG3 GLN 618 HG3 GLN 618 -17.155 -2.042 1.377 939 HE21 GLN 618 HE21 GLN 618 -14.898 -1.480 -1.229 940 HE22 GLN 618 HE22 GLN 618 -13.599 -0.899 -0.234 941 H ARG 619 HN ARG 619 -16.306 -6.394 1.165 942 HA ARG 619 HA ARG 619 -15.953 -8.541 0.548 943 HB2 ARG 619 HB2 ARG 619 -18.688 -8.374 -0.726 944 HB3 ARG 619 HB3 ARG 619 -17.789 -9.849 -0.407 945 HG2 ARG 619 HG2 ARG 619 -17.933 -9.456 1.979 946 HG3 ARG 619 HG3 ARG 619 -18.764 -7.926 1.695 947 HD2 ARG 619 HD2 ARG 619 -19.767 -10.666 0.937 948 HD3 ARG 619 HD3 ARG 619 -20.344 -9.687 2.284 949 HE ARG 619 HE ARG 619 -20.713 -8.081 0.124 950 HH11 ARG 619 HH11 ARG 619 -21.690 -11.344 0.920 951 HH12 ARG 619 HH12 ARG 619 -23.134 -11.285 -0.038 952 HH21 ARG 619 HH21 ARG 619 -22.616 -8.001 -1.148 953 HH22 ARG 619 HH22 ARG 619 -23.655 -9.387 -1.225 954 H GLU 620 HN GLU 620 -14.430 -8.933 -0.876 955 HA GLU 620 HA GLU 620 -14.110 -7.616 -3.327 956 HB2 GLU 620 HB2 GLU 620 -12.281 -8.696 -2.037 957 HB3 GLU 620 HB3 GLU 620 -12.926 -10.268 -2.479 958 HG2 GLU 620 HG2 GLU 620 -12.555 -9.665 -4.870 959 HG3 GLU 620 HG3 GLU 620 -11.741 -8.203 -4.315 960 H ARG 621 HN ARG 621 -14.122 -8.511 -5.478 961 HA ARG 621 HA ARG 621 -16.518 -9.670 -6.269 962 HB2 ARG 621 HB2 ARG 621 -13.872 -9.662 -7.735 963 HB3 ARG 621 HB3 ARG 621 -15.441 -9.969 -8.467 964 HG2 ARG 621 HG2 ARG 621 -16.156 -7.713 -7.932 965 HG3 ARG 621 HG3 ARG 621 -14.617 -7.400 -7.131 966 HD2 ARG 621 HD2 ARG 621 -13.437 -7.709 -9.233 967 HD3 ARG 621 HD3 ARG 621 -14.954 -8.097 -10.045 968 HE ARG 621 HE ARG 621 -15.287 -5.609 -8.869 969 HH11 ARG 621 HH11 ARG 621 -13.205 -7.015 -11.310 970 HH12 ARG 621 HH12 ARG 621 -13.089 -5.549 -12.228 971 HH21 ARG 621 HH21 ARG 621 -15.108 -3.683 -10.052 972 HH22 ARG 621 HH22 ARG 621 -14.163 -3.648 -11.508 Start of MODEL 24 1 HO5' ADN 1 H5T ADE 1 9.085 3.296 -15.409 2 H5'1 ADN 1 H5' ADE 1 9.543 3.749 -13.405 3 H5'2 ADN 1 H5'' ADE 1 10.678 2.391 -13.342 4 H4' ADN 1 H4' ADE 1 8.665 2.221 -11.866 5 H3' ADN 1 H3' ADE 1 10.002 0.151 -12.891 6 H2' ADN 1 H2' ADE 1 8.792 0.010 -14.989 7 HO2' ADN 1 HO2' ADE 1 8.266 -1.845 -13.189 8 H1' ADN 1 H1' ADE 1 6.173 0.387 -13.443 9 H8 ADN 1 H8 ADE 1 8.066 1.873 -16.441 10 HN61 ADN 1 H61 ADE 1 4.377 1.832 -19.589 11 HN62 ADN 1 H62 ADE 1 2.717 1.285 -19.486 12 H2 ADN 1 H2 ADE 1 2.148 -0.328 -15.335 13 H5' U 2 H5' URI 2 10.536 2.965 -10.098 14 H5'' U 2 H5'' URI 2 10.057 2.149 -8.596 15 H4' U 2 H4' URI 2 9.673 4.657 -8.793 16 H3' U 2 H3' URI 2 8.416 2.924 -7.175 17 H2' U 2 H2' URI 2 6.686 2.285 -8.722 18 HO2' U 2 HO2' URI 2 5.370 4.597 -7.837 19 H1' U 2 H1' URI 2 6.405 5.264 -9.436 20 H3 U 2 H3 URI 2 3.902 4.939 -13.093 21 H5 U 2 H5 URI 2 4.697 0.928 -12.153 22 H6 U 2 H6 URI 2 6.170 1.701 -10.417 23 H5' C 3 H5' CYT 3 8.783 8.971 -5.361 24 H5'' C 3 H5'' CYT 3 9.915 7.619 -5.541 25 H4' C 3 H4' CYT 3 7.708 8.024 -3.576 26 H3' C 3 H3' CYT 3 10.397 8.258 -3.236 27 H2' C 3 H2' CYT 3 11.003 5.976 -3.539 28 HO2' C 3 HO2' CYT 3 10.214 6.459 -0.896 29 H1' C 3 H1' CYT 3 8.395 5.095 -2.194 30 H41 C 3 H41 CYT 3 10.775 0.226 -6.021 31 H42 C 3 H42 CYT 3 10.135 -0.505 -4.567 32 H5 C 3 H5 CYT 3 10.756 2.626 -6.402 33 H6 C 3 H6 CYT 3 10.136 4.787 -5.459 34 H5' U 4 H5' URI 4 8.067 11.900 -0.503 35 H5'' U 4 H5'' URI 4 8.579 11.301 1.084 36 H4' U 4 H4' URI 4 5.815 11.453 -0.074 37 H3' U 4 H3' URI 4 6.933 13.348 1.412 38 H2' U 4 H2' URI 4 7.650 11.875 3.224 39 HO2' U 4 HO2' URI 4 5.715 12.065 4.794 40 H1' U 4 H1' URI 4 4.852 10.610 3.111 41 H3 U 4 H3 URI 4 6.625 8.790 6.970 42 H5 U 4 H5 URI 4 8.483 6.866 3.737 43 H6 U 4 H6 URI 4 7.523 8.540 2.297 44 H5' U 5 H5' URI 5 3.318 12.429 0.135 45 H5'' U 5 H5'' URI 5 2.749 13.445 -1.203 46 H4' U 5 H4' URI 5 0.740 12.716 -0.656 47 H3' U 5 H3' URI 5 0.941 15.125 0.589 48 H2' U 5 H2' URI 5 1.459 14.259 2.782 49 HO2' U 5 HO2' URI 5 -1.072 14.986 2.375 50 H1' U 5 H1' URI 5 -0.550 12.000 2.177 51 H3 U 5 H3 URI 5 -0.073 9.965 6.087 52 H5 U 5 H5 URI 5 3.748 11.595 5.464 53 H6 U 5 H6 URI 5 2.935 12.522 3.397 54 H5' A 6 H5' ADE 6 -4.465 16.349 -0.647 55 H5'' A 6 H5'' ADE 6 -2.916 17.202 -0.522 56 H4' A 6 H4' ADE 6 -3.681 15.058 1.428 57 H3' A 6 H3' ADE 6 -5.410 17.081 1.343 58 HO3' A 6 H3T ADE 6 -5.001 16.959 3.835 59 H2' A 6 H2' ADE 6 -3.761 18.868 1.374 60 HO2' A 6 HO2' ADE 6 -4.859 19.596 3.071 61 H1' A 6 H1' ADE 6 -2.307 17.352 3.614 62 H8 A 6 H8 ADE 6 -2.306 20.556 2.504 63 H61 A 6 H61 ADE 6 2.337 21.537 1.485 64 H62 A 6 H62 ADE 6 3.742 20.538 1.193 65 H2 A 6 H2 ADE 6 2.390 16.278 1.573 66 H1 GLY 510 HT1 GLY 510 18.139 -15.650 7.209 67 H2 GLY 510 HT2 GLY 510 16.493 -15.965 7.014 68 H3 GLY 510 HT3 GLY 510 17.121 -15.682 8.559 69 HA2 GLY 510 HA3 GLY 510 15.950 -13.735 7.782 70 HA3 GLY 510 HA2 GLY 510 17.670 -13.410 7.947 71 H ALA 511 HN ALA 511 16.894 -11.610 6.477 72 HA ALA 511 HA ALA 511 16.850 -10.587 4.450 73 HB1 ALA 511 HB1 ALA 511 19.147 -11.432 4.397 74 HB2 ALA 511 HB2 ALA 511 18.439 -11.377 2.782 75 HB3 ALA 511 HB3 ALA 511 18.582 -12.917 3.631 76 H MET 512 HN MET 512 14.604 -12.122 4.955 77 HA MET 512 HA MET 512 13.963 -13.907 2.846 78 HB2 MET 512 HB2 MET 512 12.820 -13.993 5.006 79 HB3 MET 512 HB3 MET 512 12.157 -12.388 4.735 80 HG2 MET 512 HG2 MET 512 10.492 -14.094 4.315 81 HG3 MET 512 HG3 MET 512 10.883 -13.222 2.835 82 HE1 MET 512 HE1 MET 512 12.431 -17.462 3.799 83 HE2 MET 512 HE2 MET 512 11.378 -16.538 4.868 84 HE3 MET 512 HE3 MET 512 13.037 -16.011 4.596 85 H ALA 513 HN ALA 513 12.829 -10.596 3.525 86 HA ALA 513 HA ALA 513 12.356 -10.279 0.637 87 HB1 ALA 513 HB1 ALA 513 10.383 -8.926 1.157 88 HB2 ALA 513 HB2 ALA 513 10.620 -9.248 2.875 89 HB3 ALA 513 HB3 ALA 513 10.227 -10.571 1.776 90 H GLN 514 HN GLN 514 14.680 -9.513 1.157 91 HA GLN 514 HA GLN 514 16.202 -7.852 1.241 92 HB2 GLN 514 HB2 GLN 514 13.818 -6.035 0.856 93 HB3 GLN 514 HB3 GLN 514 15.502 -5.560 0.671 94 HG2 GLN 514 HG2 GLN 514 15.743 -7.168 -1.161 95 HG3 GLN 514 HG3 GLN 514 14.046 -7.610 -0.985 96 HE21 GLN 514 HE21 GLN 514 13.291 -4.812 -0.411 97 HE22 GLN 514 HE22 GLN 514 13.322 -4.010 -1.935 98 H ARG 515 HN ARG 515 13.702 -5.846 2.717 99 HA ARG 515 HA ARG 515 14.826 -6.286 5.370 100 HB2 ARG 515 HB2 ARG 515 14.707 -3.569 4.046 101 HB3 ARG 515 HB3 ARG 515 14.952 -3.808 5.767 102 HG2 ARG 515 HG2 ARG 515 16.781 -4.851 3.618 103 HG3 ARG 515 HG3 ARG 515 17.033 -3.356 4.519 104 HD2 ARG 515 HD2 ARG 515 17.225 -4.581 6.587 105 HD3 ARG 515 HD3 ARG 515 16.806 -6.090 5.777 106 HE ARG 515 HE ARG 515 19.072 -4.942 4.550 107 HH11 ARG 515 HH11 ARG 515 18.140 -6.572 7.512 108 HH12 ARG 515 HH12 ARG 515 19.706 -7.275 7.758 109 HH21 ARG 515 HH21 ARG 515 21.129 -5.862 4.891 110 HH22 ARG 515 HH22 ARG 515 21.397 -6.868 6.280 111 H LYS 516 HN LYS 516 12.561 -7.337 5.111 112 HA LYS 516 HA LYS 516 10.560 -5.335 5.934 113 HB2 LYS 516 HB2 LYS 516 9.942 -8.002 4.653 114 HB3 LYS 516 HB3 LYS 516 8.806 -6.714 5.017 115 HG2 LYS 516 HG2 LYS 516 10.974 -6.692 2.934 116 HG3 LYS 516 HG3 LYS 516 9.232 -6.741 2.666 117 HD2 LYS 516 HD2 LYS 516 8.977 -4.513 3.513 118 HD3 LYS 516 HD3 LYS 516 10.664 -4.467 4.035 119 HE2 LYS 516 HE2 LYS 516 11.310 -4.787 1.629 120 HE3 LYS 516 HE3 LYS 516 9.612 -4.555 1.214 121 HZ1 LYS 516 HZ1 LYS 516 11.225 -2.574 2.719 122 HZ2 LYS 516 HZ2 LYS 516 9.675 -2.351 2.066 123 HZ3 LYS 516 HZ3 LYS 516 11.013 -2.527 1.045 124 H GLY 517 HN GLY 517 12.164 -6.162 7.867 125 HA2 GLY 517 HA2 GLY 517 10.707 -8.308 9.268 126 HA3 GLY 517 HA3 GLY 517 12.344 -7.781 9.645 127 H ALA 518 HN ALA 518 12.671 -6.062 10.988 128 HA ALA 518 HA ALA 518 10.374 -5.097 12.472 129 HB1 ALA 518 HB1 ALA 518 12.020 -3.981 13.893 130 HB2 ALA 518 HB2 ALA 518 13.304 -4.423 12.769 131 HB3 ALA 518 HB3 ALA 518 12.444 -5.677 13.662 132 H GLY 519 HN GLY 519 9.417 -4.070 10.605 133 HA2 GLY 519 HA2 GLY 519 9.063 -1.656 10.036 134 HA3 GLY 519 HA3 GLY 519 10.800 -1.600 9.751 135 H ARG 520 HN ARG 520 7.764 -2.154 8.343 136 HA ARG 520 HA ARG 520 9.144 -3.190 5.949 137 HB2 ARG 520 HB2 ARG 520 6.299 -3.866 6.721 138 HB3 ARG 520 HB3 ARG 520 7.219 -4.527 5.378 139 HG2 ARG 520 HG2 ARG 520 7.842 -6.204 6.675 140 HG3 ARG 520 HG3 ARG 520 8.701 -5.064 7.709 141 HD2 ARG 520 HD2 ARG 520 5.838 -5.961 7.971 142 HD3 ARG 520 HD3 ARG 520 7.175 -6.340 9.055 143 HE ARG 520 HE ARG 520 6.304 -3.558 8.673 144 HH11 ARG 520 HH11 ARG 520 6.803 -6.316 10.775 145 HH12 ARG 520 HH12 ARG 520 6.561 -5.409 12.228 146 HH21 ARG 520 HH21 ARG 520 6.026 -2.354 10.575 147 HH22 ARG 520 HH22 ARG 520 6.137 -3.152 12.118 148 H VAL 521 HN VAL 521 8.888 -1.970 4.227 149 HA VAL 521 HA VAL 521 6.464 -0.324 4.055 150 HB VAL 521 HB VAL 521 9.103 0.257 2.714 151 HG11 VAL 521 HG11 VAL 521 7.318 0.980 1.305 152 HG12 VAL 521 HG12 VAL 521 7.997 2.401 2.101 153 HG13 VAL 521 HG13 VAL 521 6.474 1.712 2.666 154 HG21 VAL 521 HG21 VAL 521 7.719 1.657 4.987 155 HG22 VAL 521 HG22 VAL 521 9.186 2.210 4.182 156 HG23 VAL 521 HG23 VAL 521 9.196 0.702 5.098 157 H VAL 522 HN VAL 522 5.074 -0.925 2.592 158 HA VAL 522 HA VAL 522 6.031 -2.365 0.202 159 HB VAL 522 HB VAL 522 3.293 -2.617 1.467 160 HG11 VAL 522 HG11 VAL 522 3.322 -3.077 -0.915 161 HG12 VAL 522 HG12 VAL 522 3.052 -4.561 0.001 162 HG13 VAL 522 HG13 VAL 522 4.641 -4.229 -0.694 163 HG21 VAL 522 HG21 VAL 522 4.932 -3.547 2.986 164 HG22 VAL 522 HG22 VAL 522 5.638 -4.494 1.677 165 HG23 VAL 522 HG23 VAL 522 4.000 -4.841 2.231 166 H HIS 523 HN HIS 523 5.608 -1.192 -1.704 167 HA HIS 523 HA HIS 523 4.148 1.299 -1.225 168 HB2 HIS 523 HB2 HIS 523 6.540 1.472 -1.837 169 HB3 HIS 523 HB3 HIS 523 6.213 0.593 -3.325 170 HD1 HIS 523 HD1 HIS 523 4.716 1.872 -5.116 171 HD2 HIS 523 HD2 HIS 523 6.110 4.176 -1.956 172 HE1 HIS 523 HE1 HIS 523 4.458 4.254 -5.854 173 HE2 HIS 523 HE2 HIS 523 5.566 5.601 -4.046 174 H ILE 524 HN ILE 524 2.436 1.819 -2.392 175 HA ILE 524 HA ILE 524 1.560 -0.076 -4.465 176 HB ILE 524 HB ILE 524 -0.135 1.745 -2.741 177 HG12 ILE 524 HG12 ILE 524 0.444 -1.218 -2.549 178 HG13 ILE 524 HG13 ILE 524 0.885 0.020 -1.383 179 HG21 ILE 524 HG21 ILE 524 -0.894 -0.418 -4.704 180 HG22 ILE 524 HG22 ILE 524 -1.199 1.312 -4.862 181 HG23 ILE 524 HG23 ILE 524 -2.016 0.384 -3.606 182 HD11 ILE 524 HD11 ILE 524 -1.440 0.369 -0.833 183 HD12 ILE 524 HD12 ILE 524 -1.007 -1.335 -0.652 184 HD13 ILE 524 HD13 ILE 524 -1.926 -0.800 -2.063 185 H CYS 525 HN CYS 525 1.007 0.736 -6.450 186 HA CYS 525 HA CYS 525 1.255 3.641 -6.806 187 HB2 CYS 525 HB2 CYS 525 3.422 2.561 -7.320 188 HB3 CYS 525 HB3 CYS 525 2.618 1.539 -8.505 189 HG CYS 525 HG CYS 525 2.212 3.411 -10.379 190 H ASN 526 HN ASN 526 0.355 4.440 -8.740 191 HA ASN 526 HA ASN 526 -0.822 4.461 -10.710 192 HB2 ASN 526 HB2 ASN 526 -1.447 1.552 -10.182 193 HB3 ASN 526 HB3 ASN 526 -1.951 2.443 -11.611 194 HD21 ASN 526 HD21 ASN 526 -0.389 0.082 -11.555 195 HD22 ASN 526 HD22 ASN 526 1.150 0.466 -12.246 196 H LEU 527 HN LEU 527 -1.663 5.063 -8.021 197 HA LEU 527 HA LEU 527 -4.492 4.420 -7.951 198 HB2 LEU 527 HB2 LEU 527 -2.713 6.071 -6.161 199 HB3 LEU 527 HB1 LEU 527 -4.445 5.952 -5.928 200 HG LEU 527 HG LEU 527 -2.592 3.570 -5.884 201 HD11 LEU 527 HD11 LEU 527 -2.868 3.649 -3.432 202 HD12 LEU 527 HD12 LEU 527 -3.693 5.200 -3.597 203 HD13 LEU 527 HD13 LEU 527 -1.999 5.051 -4.059 204 HD21 LEU 527 HD21 LEU 527 -5.439 3.943 -4.966 205 HD22 LEU 527 HD22 LEU 527 -4.487 2.465 -4.823 206 HD23 LEU 527 HD23 LEU 527 -4.926 3.080 -6.415 207 HA PRO 528 HA PRO 528 -5.328 7.975 -10.509 208 HB2 PRO 528 HB2 PRO 528 -8.138 7.643 -9.766 209 HB3 PRO 528 HB1 PRO 528 -7.375 7.454 -11.344 210 HG2 PRO 528 HG2 PRO 528 -8.341 5.362 -9.915 211 HG3 PRO 528 HG3 PRO 528 -6.970 5.222 -11.030 212 HD2 PRO 528 HD2 PRO 528 -6.985 5.388 -8.049 213 HD3 PRO 528 HD3 PRO 528 -5.941 4.438 -9.127 214 H GLU 529 HN GLU 529 -5.349 10.083 -10.041 215 HA GLU 529 HA GLU 529 -5.599 11.029 -7.385 216 HB2 GLU 529 HB2 GLU 529 -4.185 12.113 -9.085 217 HB3 GLU 529 HB3 GLU 529 -5.627 12.559 -9.993 218 HG2 GLU 529 HG2 GLU 529 -6.350 13.828 -7.913 219 HG3 GLU 529 HG3 GLU 529 -4.703 13.592 -7.332 220 H GLY 530 HN GLY 530 -7.325 12.021 -6.338 221 HA2 GLY 530 HA2 GLY 530 -9.504 12.807 -6.099 222 HA3 GLY 530 HA3 GLY 530 -9.776 12.504 -7.811 223 H SER 531 HN SER 531 -8.328 9.845 -6.425 224 HA SER 531 HA SER 531 -10.764 8.545 -5.580 225 HB2 SER 531 HB2 SER 531 -9.247 7.638 -8.035 226 HB3 SER 531 HB3 SER 531 -10.537 6.725 -7.250 227 HG SER 531 HG SER 531 -11.472 9.153 -7.661 228 H CYS 532 HN CYS 532 -7.842 9.253 -4.872 229 HA CYS 532 HA CYS 532 -6.773 6.624 -4.193 230 HB2 CYS 532 HB2 CYS 532 -5.712 9.409 -3.655 231 HB3 CYS 532 HB3 CYS 532 -4.857 7.920 -3.271 232 HG CYS 532 HG CYS 532 -5.775 8.330 -6.489 233 H THR 533 HN THR 533 -8.446 5.993 -2.696 234 HA THR 533 HA THR 533 -8.689 7.707 -0.324 235 HB THR 533 HB THR 533 -10.619 6.303 0.266 236 HG1 THR 533 HG1 THR 533 -11.259 4.776 -1.542 237 HG21 THR 533 HG21 THR 533 -10.711 7.229 -2.611 238 HG22 THR 533 HG22 THR 533 -11.018 8.231 -1.192 239 HG23 THR 533 HG23 THR 533 -12.112 6.906 -1.589 240 H GLU 534 HN GLU 534 -8.305 6.859 1.734 241 HA GLU 534 HA GLU 534 -6.149 5.023 1.897 242 HB2 GLU 534 HB2 GLU 534 -7.894 6.004 4.153 243 HB3 GLU 534 HB3 GLU 534 -6.254 5.381 4.260 244 HG2 GLU 534 HG2 GLU 534 -5.377 7.297 3.076 245 HG3 GLU 534 HG3 GLU 534 -7.014 7.887 2.777 246 H ASN 535 HN ASN 535 -9.555 4.871 2.260 247 HA ASN 535 HA ASN 535 -9.768 2.447 3.652 248 HB2 ASN 535 HB2 ASN 535 -11.593 4.109 3.384 249 HB3 ASN 535 HB3 ASN 535 -11.732 3.646 1.692 250 HD21 ASN 535 HD21 ASN 535 -12.766 1.772 1.158 251 HD22 ASN 535 HD22 ASN 535 -13.623 0.794 2.305 252 H ASP 536 HN ASP 536 -9.768 3.107 0.114 253 HA ASP 536 HA ASP 536 -10.298 0.359 -0.526 254 HB2 ASP 536 HB2 ASP 536 -9.505 2.747 -2.172 255 HB3 ASP 536 HB3 ASP 536 -9.538 1.134 -2.876 256 H VAL 537 HN VAL 537 -7.469 2.384 -0.436 257 HA VAL 537 HA VAL 537 -5.574 0.595 -1.506 258 HB VAL 537 HB VAL 537 -5.094 2.717 0.616 259 HG11 VAL 537 HG11 VAL 537 -3.163 1.567 -1.392 260 HG12 VAL 537 HG12 VAL 537 -3.214 1.120 0.314 261 HG13 VAL 537 HG13 VAL 537 -2.812 2.776 -0.154 262 HG21 VAL 537 HG21 VAL 537 -4.520 4.164 -1.281 263 HG22 VAL 537 HG22 VAL 537 -6.202 3.636 -1.337 264 HG23 VAL 537 HG23 VAL 537 -5.004 2.884 -2.392 265 H ILE 538 HN ILE 538 -6.503 1.203 1.855 266 HA ILE 538 HA ILE 538 -5.025 -0.957 2.925 267 HB ILE 538 HB ILE 538 -7.310 0.630 4.064 268 HG12 ILE 538 HG12 ILE 538 -4.325 0.603 4.536 269 HG13 ILE 538 HG13 ILE 538 -5.257 1.882 3.766 270 HG21 ILE 538 HG21 ILE 538 -7.390 -1.526 5.108 271 HG22 ILE 538 HG22 ILE 538 -6.636 -0.399 6.234 272 HG23 ILE 538 HG23 ILE 538 -5.643 -1.537 5.324 273 HD11 ILE 538 HD11 ILE 538 -4.611 2.389 6.085 274 HD12 ILE 538 HD12 ILE 538 -5.585 1.018 6.625 275 HD13 ILE 538 HD13 ILE 538 -6.356 2.392 5.831 276 H ASN 539 HN ASN 539 -8.328 -0.707 1.652 277 HA ASN 539 HA ASN 539 -9.311 -3.170 2.501 278 HB2 ASN 539 HB2 ASN 539 -9.813 -1.794 -0.148 279 HB3 ASN 539 HB3 ASN 539 -10.656 -3.240 0.377 280 HD21 ASN 539 HD21 ASN 539 -10.746 -2.224 3.178 281 HD22 ASN 539 HD22 ASN 539 -11.995 -1.046 3.167 282 H LEU 540 HN LEU 540 -6.958 -2.418 0.035 283 HA LEU 540 HA LEU 540 -6.894 -5.066 -1.051 284 HB2 LEU 540 HB2 LEU 540 -4.819 -2.871 -1.057 285 HB3 LEU 540 HB1 LEU 540 -4.758 -4.324 -2.037 286 HG LEU 540 HG LEU 540 -6.806 -2.122 -2.252 287 HD11 LEU 540 HD11 LEU 540 -4.592 -1.515 -3.076 288 HD12 LEU 540 HD12 LEU 540 -5.754 -1.676 -4.390 289 HD13 LEU 540 HD13 LEU 540 -4.575 -2.954 -4.097 290 HD21 LEU 540 HD21 LEU 540 -7.590 -3.331 -4.235 291 HD22 LEU 540 HD22 LEU 540 -7.801 -4.279 -2.764 292 HD23 LEU 540 HD23 LEU 540 -6.476 -4.648 -3.867 293 H GLY 541 HN GLY 541 -4.976 -3.234 1.311 294 HA2 GLY 541 HA2 GLY 541 -3.126 -5.238 1.917 295 HA3 GLY 541 HA3 GLY 541 -3.552 -3.894 2.967 296 H LEU 542 HN LEU 542 -6.145 -4.501 3.661 297 HA LEU 542 HA LEU 542 -5.511 -5.988 5.922 298 HB2 LEU 542 HB2 LEU 542 -8.112 -5.049 4.810 299 HB3 LEU 542 HB1 LEU 542 -8.049 -5.992 6.287 300 HG LEU 542 HG LEU 542 -6.562 -3.399 5.896 301 HD11 LEU 542 HD11 LEU 542 -8.306 -2.377 7.266 302 HD12 LEU 542 HD12 LEU 542 -9.193 -3.903 7.275 303 HD13 LEU 542 HD13 LEU 542 -8.968 -3.025 5.766 304 HD21 LEU 542 HD21 LEU 542 -7.167 -5.064 8.337 305 HD22 LEU 542 HD22 LEU 542 -6.388 -3.482 8.348 306 HD23 LEU 542 HD23 LEU 542 -5.591 -4.852 7.576 307 HA PRO 543 HA PRO 543 -8.332 -9.605 4.236 308 HB2 PRO 543 HB2 PRO 543 -7.581 -9.441 1.360 309 HB3 PRO 543 HB1 PRO 543 -9.126 -9.886 2.098 310 HG2 PRO 543 HG2 PRO 543 -8.858 -7.510 0.983 311 HG3 PRO 543 HG3 PRO 543 -9.691 -7.658 2.548 312 HD2 PRO 543 HD2 PRO 543 -6.870 -6.787 1.982 313 HD3 PRO 543 HD3 PRO 543 -8.072 -6.061 3.070 314 H PHE 544 HN PHE 544 -5.157 -8.793 2.890 315 HA PHE 544 HA PHE 544 -4.403 -11.618 3.015 316 HB2 PHE 544 HB2 PHE 544 -2.816 -9.246 2.035 317 HB3 PHE 544 HB3 PHE 544 -2.345 -10.933 1.884 318 HD1 PHE 544 HD1 PHE 544 -3.801 -12.435 0.425 319 HD2 PHE 544 HD2 PHE 544 -4.077 -8.191 0.434 320 HE1 PHE 544 HE1 PHE 544 -4.926 -12.508 -1.764 321 HE2 PHE 544 HE2 PHE 544 -5.208 -8.254 -1.747 322 HZ PHE 544 HZ PHE 544 -5.630 -10.414 -2.853 323 H GLY 545 HN GLY 545 -4.186 -8.731 4.839 324 HA2 GLY 545 HA2 GLY 545 -3.113 -9.966 7.095 325 HA3 GLY 545 HA3 GLY 545 -1.769 -9.229 6.234 326 H LYS 546 HN LYS 546 -2.485 -8.442 8.812 327 HA LYS 546 HA LYS 546 -4.283 -6.252 8.822 328 HB2 LYS 546 HB2 LYS 546 -3.731 -7.466 10.878 329 HB3 LYS 546 HB3 LYS 546 -2.068 -6.902 10.775 330 HG2 LYS 546 HG2 LYS 546 -2.853 -4.586 10.996 331 HG3 LYS 546 HG3 LYS 546 -4.507 -5.174 11.145 332 HD2 LYS 546 HD2 LYS 546 -3.897 -6.386 13.178 333 HD3 LYS 546 HD3 LYS 546 -2.236 -5.809 13.025 334 HE2 LYS 546 HE2 LYS 546 -3.009 -3.502 13.234 335 HE3 LYS 546 HE3 LYS 546 -4.674 -4.061 13.354 336 HZ1 LYS 546 HZ1 LYS 546 -2.496 -4.628 15.288 337 HZ2 LYS 546 HZ2 LYS 546 -4.073 -5.223 15.404 338 HZ3 LYS 546 HZ3 LYS 546 -3.786 -3.563 15.524 339 H VAL 547 HN VAL 547 -4.026 -4.186 8.384 340 HA VAL 547 HA VAL 547 -1.482 -3.199 7.411 341 HB VAL 547 HB VAL 547 -4.225 -1.946 7.569 342 HG11 VAL 547 HG11 VAL 547 -2.437 -0.246 7.722 343 HG12 VAL 547 HG12 VAL 547 -3.389 -0.120 6.243 344 HG13 VAL 547 HG13 VAL 547 -1.777 -0.843 6.199 345 HG21 VAL 547 HG21 VAL 547 -4.287 -3.604 5.933 346 HG22 VAL 547 HG22 VAL 547 -2.650 -3.252 5.385 347 HG23 VAL 547 HG23 VAL 547 -3.956 -2.125 5.032 348 H THR 548 HN THR 548 -0.053 -2.411 8.820 349 HA THR 548 HA THR 548 -0.975 -1.347 11.356 350 HB THR 548 HB THR 548 1.514 -1.160 11.819 351 HG1 THR 548 HG1 THR 548 2.722 -1.361 10.090 352 HG21 THR 548 HG21 THR 548 1.790 -3.570 12.148 353 HG22 THR 548 HG22 THR 548 0.433 -3.880 11.067 354 HG23 THR 548 HG23 THR 548 0.165 -3.056 12.601 355 H ASN 549 HN ASN 549 0.591 -0.225 8.425 356 HA ASN 549 HA ASN 549 -0.087 2.523 9.173 357 HB2 ASN 549 HB2 ASN 549 2.688 1.614 8.408 358 HB3 ASN 549 HB3 ASN 549 2.160 3.274 8.202 359 HD21 ASN 549 HD21 ASN 549 0.564 3.355 10.581 360 HD22 ASN 549 HD22 ASN 549 1.683 3.426 11.890 361 H TYR 550 HN TYR 550 -0.311 3.958 7.442 362 HA TYR 550 HA TYR 550 0.105 3.001 4.740 363 HB2 TYR 550 HB2 TYR 550 -2.226 3.528 4.073 364 HB3 TYR 550 HB3 TYR 550 -2.133 2.174 5.193 365 HD1 TYR 550 HD1 TYR 550 -3.927 5.011 4.417 366 HD2 TYR 550 HD2 TYR 550 -2.304 3.000 7.792 367 HE1 TYR 550 HE1 TYR 550 -5.564 6.126 5.876 368 HE2 TYR 550 HE2 TYR 550 -3.943 4.106 9.250 369 HH TYR 550 HH TYR 550 -6.672 5.630 8.111 370 H ILE 551 HN ILE 551 0.108 4.710 3.189 371 HA ILE 551 HA ILE 551 -0.160 7.451 4.148 372 HB ILE 551 HB ILE 551 2.350 6.484 2.773 373 HG12 ILE 551 HG12 ILE 551 2.050 7.328 5.669 374 HG13 ILE 551 HG13 ILE 551 2.243 5.665 5.124 375 HG21 ILE 551 HG21 ILE 551 1.638 9.154 3.974 376 HG22 ILE 551 HG22 ILE 551 1.765 8.773 2.256 377 HG23 ILE 551 HG23 ILE 551 3.203 8.732 3.277 378 HD11 ILE 551 HD11 ILE 551 4.337 6.522 5.937 379 HD12 ILE 551 HD12 ILE 551 4.244 7.890 4.828 380 HD13 ILE 551 HD13 ILE 551 4.440 6.256 4.196 381 H LEU 552 HN LEU 552 -1.183 8.575 2.473 382 HA LEU 552 HA LEU 552 -1.047 7.253 -0.144 383 HB2 LEU 552 HB2 LEU 552 -3.206 9.037 0.951 384 HB3 LEU 552 HB1 LEU 552 -3.161 8.381 -0.672 385 HG LEU 552 HG LEU 552 -3.587 6.911 1.911 386 HD11 LEU 552 HD11 LEU 552 -5.626 6.211 0.645 387 HD12 LEU 552 HD12 LEU 552 -5.183 7.395 -0.582 388 HD13 LEU 552 HD13 LEU 552 -5.542 7.918 1.065 389 HD21 LEU 552 HD21 LEU 552 -3.115 5.753 -0.835 390 HD22 LEU 552 HD22 LEU 552 -3.683 4.856 0.573 391 HD23 LEU 552 HD23 LEU 552 -2.069 5.566 0.573 392 H MET 553 HN MET 553 -0.112 8.371 -1.772 393 HA MET 553 HA MET 553 0.351 11.238 -1.263 394 HB2 MET 553 HB2 MET 553 1.938 9.373 -3.047 395 HB3 MET 553 HB3 MET 553 2.242 11.091 -2.842 396 HG2 MET 553 HG2 MET 553 2.676 10.649 -0.429 397 HG3 MET 553 HG3 MET 553 2.553 8.926 -0.780 398 HE1 MET 553 HE1 MET 553 4.213 7.623 -2.381 399 HE2 MET 553 HE2 MET 553 5.571 8.378 -3.219 400 HE3 MET 553 HE3 MET 553 3.917 8.773 -3.686 401 H LYS 554 HN LYS 554 -1.856 11.412 -2.025 402 HA LYS 554 HA LYS 554 -2.854 10.901 -4.441 403 HB2 LYS 554 HB2 LYS 554 -3.312 13.677 -3.508 404 HB3 LYS 554 HB3 LYS 554 -4.466 12.458 -4.019 405 HG2 LYS 554 HG2 LYS 554 -3.077 12.614 -1.349 406 HG3 LYS 554 HG3 LYS 554 -4.767 12.968 -1.684 407 HD2 LYS 554 HD2 LYS 554 -4.959 10.563 -2.464 408 HD3 LYS 554 HD3 LYS 554 -3.377 10.298 -1.731 409 HE2 LYS 554 HE2 LYS 554 -5.948 11.109 -0.390 410 HE3 LYS 554 HE3 LYS 554 -4.982 9.661 -0.113 411 HZ1 LYS 554 HZ1 LYS 554 -4.643 11.190 1.673 412 HZ2 LYS 554 HZ2 LYS 554 -4.251 12.445 0.613 413 HZ3 LYS 554 HZ3 LYS 554 -3.215 11.118 0.771 414 H SER 555 HN SER 555 -0.271 13.186 -3.862 415 HA SER 555 HA SER 555 -0.751 14.769 -6.177 416 HB2 SER 555 HB2 SER 555 1.508 15.690 -5.655 417 HB3 SER 555 HB3 SER 555 0.400 15.729 -4.284 418 HG SER 555 HG SER 555 1.856 14.641 -3.254 419 H THR 556 HN THR 556 1.395 12.051 -5.402 420 HA THR 556 HA THR 556 2.494 12.129 -8.102 421 HB THR 556 HB THR 556 4.077 10.403 -7.227 422 HG1 THR 556 HG1 THR 556 3.969 10.484 -4.731 423 HG21 THR 556 HG21 THR 556 3.899 12.944 -5.609 424 HG22 THR 556 HG22 THR 556 4.693 12.763 -7.173 425 HG23 THR 556 HG23 THR 556 5.327 11.921 -5.760 426 H ASN 557 HN ASN 557 -0.169 10.829 -6.831 427 HA ASN 557 HA ASN 557 -1.554 9.096 -7.313 428 HB2 ASN 557 HB2 ASN 557 0.252 8.851 -9.728 429 HB3 ASN 557 HB3 ASN 557 -1.234 7.934 -9.513 430 HD21 ASN 557 HD21 ASN 557 -3.205 9.007 -9.574 431 HD22 ASN 557 HD22 ASN 557 -3.362 10.567 -10.315 432 H GLN 558 HN GLN 558 0.475 8.621 -5.501 433 HA GLN 558 HA GLN 558 0.977 5.755 -5.854 434 HB2 GLN 558 HB2 GLN 558 3.069 7.819 -5.160 435 HB3 GLN 558 HB3 GLN 558 3.296 6.089 -4.946 436 HG2 GLN 558 HG2 GLN 558 2.998 5.765 -7.356 437 HG3 GLN 558 HG3 GLN 558 2.800 7.508 -7.551 438 HE21 GLN 558 HE21 GLN 558 4.601 7.615 -8.911 439 HE22 GLN 558 HE22 GLN 558 6.212 7.495 -8.297 440 H ALA 559 HN ALA 559 1.717 4.741 -3.715 441 HA ALA 559 HA ALA 559 1.089 6.258 -1.346 442 HB1 ALA 559 HB1 ALA 559 -0.714 4.772 -0.622 443 HB2 ALA 559 HB2 ALA 559 -0.679 3.984 -2.207 444 HB3 ALA 559 HB3 ALA 559 -1.129 5.688 -2.074 445 H PHE 560 HN PHE 560 1.267 4.968 0.602 446 HA PHE 560 HA PHE 560 3.155 2.705 0.324 447 HB2 PHE 560 HB2 PHE 560 3.061 4.783 2.523 448 HB3 PHE 560 HB3 PHE 560 4.126 3.389 2.499 449 HD1 PHE 560 HD1 PHE 560 6.039 3.310 1.022 450 HD2 PHE 560 HD2 PHE 560 3.482 6.708 1.127 451 HE1 PHE 560 HE1 PHE 560 7.754 4.631 -0.145 452 HE2 PHE 560 HE2 PHE 560 5.188 8.034 -0.043 453 HZ PHE 560 HZ PHE 560 7.329 6.997 -0.682 454 H LEU 561 HN LEU 561 2.818 0.925 1.569 455 HA LEU 561 HA LEU 561 0.597 0.941 3.481 456 HB2 LEU 561 HB2 LEU 561 -0.292 0.167 1.335 457 HB3 LEU 561 HB1 LEU 561 0.993 -1.015 1.208 458 HG LEU 561 HG LEU 561 0.076 -2.172 3.209 459 HD11 LEU 561 HD11 LEU 561 -2.164 -0.179 2.889 460 HD12 LEU 561 HD12 LEU 561 -1.040 -0.279 4.244 461 HD13 LEU 561 HD13 LEU 561 -2.186 -1.586 3.949 462 HD21 LEU 561 HD21 LEU 561 -0.509 -2.790 0.845 463 HD22 LEU 561 HD22 LEU 561 -1.979 -1.827 1.027 464 HD23 LEU 561 HD23 LEU 561 -1.719 -3.239 2.049 465 H GLU 562 HN GLU 562 1.437 0.238 5.353 466 HA GLU 562 HA GLU 562 3.548 -1.796 5.228 467 HB2 GLU 562 HB2 GLU 562 4.059 0.089 6.700 468 HB3 GLU 562 HB3 GLU 562 2.605 -0.243 7.640 469 HG2 GLU 562 HG2 GLU 562 3.484 -2.419 8.271 470 HG3 GLU 562 HG3 GLU 562 4.920 -2.138 7.296 471 H MET 563 HN MET 563 3.289 -3.777 5.773 472 HA MET 563 HA MET 563 0.676 -4.655 6.789 473 HB2 MET 563 HB2 MET 563 2.700 -6.234 5.184 474 HB3 MET 563 HB3 MET 563 1.035 -6.689 5.542 475 HG2 MET 563 HG2 MET 563 0.158 -5.079 4.089 476 HG3 MET 563 HG3 MET 563 1.682 -4.201 4.013 477 HE1 MET 563 HE1 MET 563 1.241 -5.387 0.325 478 HE2 MET 563 HE2 MET 563 1.524 -4.007 1.388 479 HE3 MET 563 HE3 MET 563 -0.024 -4.848 1.431 480 H ALA 564 HN ALA 564 0.681 -6.299 8.378 481 HA ALA 564 HA ALA 564 2.392 -5.583 10.457 482 HB1 ALA 564 HB1 ALA 564 1.287 -7.308 11.756 483 HB2 ALA 564 HB2 ALA 564 0.640 -8.024 10.280 484 HB3 ALA 564 HB3 ALA 564 0.120 -6.415 10.780 485 H TYR 565 HN TYR 565 2.688 -8.188 8.161 486 HA TYR 565 HA TYR 565 5.270 -8.865 9.358 487 HB2 TYR 565 HB2 TYR 565 3.207 -10.909 8.511 488 HB3 TYR 565 HB3 TYR 565 4.855 -11.274 9.005 489 HD1 TYR 565 HD1 TYR 565 1.491 -10.730 10.098 490 HD2 TYR 565 HD2 TYR 565 5.545 -10.691 11.388 491 HE1 TYR 565 HE1 TYR 565 0.743 -10.901 12.435 492 HE2 TYR 565 HE2 TYR 565 4.806 -10.864 13.726 493 HH TYR 565 HH TYR 565 2.715 -10.269 15.040 494 H THR 566 HN THR 566 6.667 -10.061 7.860 495 HA THR 566 HA THR 566 6.662 -8.873 5.281 496 HB THR 566 HB THR 566 8.763 -9.487 6.405 497 HG1 THR 566 HG1 THR 566 9.767 -10.126 4.556 498 HG21 THR 566 HG21 THR 566 9.506 -11.822 6.469 499 HG22 THR 566 HG22 THR 566 7.928 -12.339 5.878 500 HG23 THR 566 HG23 THR 566 8.068 -11.574 7.460 501 H GLU 567 HN GLU 567 5.479 -11.874 6.566 502 HA GLU 567 HA GLU 567 5.164 -13.379 4.241 503 HB2 GLU 567 HB2 GLU 567 3.302 -14.507 5.489 504 HB3 GLU 567 HB3 GLU 567 4.818 -14.419 6.373 505 HG2 GLU 567 HG2 GLU 567 4.000 -12.613 7.713 506 HG3 GLU 567 HG3 GLU 567 2.532 -12.497 6.746 507 H ALA 568 HN ALA 568 3.306 -10.717 5.509 508 HA ALA 568 HA ALA 568 1.017 -11.149 3.836 509 HB1 ALA 568 HB1 ALA 568 0.272 -8.969 4.655 510 HB2 ALA 568 HB2 ALA 568 1.848 -8.708 5.403 511 HB3 ALA 568 HB3 ALA 568 0.801 -10.003 5.982 512 H ALA 569 HN ALA 569 3.881 -9.083 3.792 513 HA ALA 569 HA ALA 569 3.134 -7.458 1.627 514 HB1 ALA 569 HB1 ALA 569 5.497 -6.831 1.548 515 HB2 ALA 569 HB2 ALA 569 5.891 -8.177 2.618 516 HB3 ALA 569 HB3 ALA 569 4.893 -6.847 3.205 517 H GLN 570 HN GLN 570 5.091 -10.410 1.805 518 HA GLN 570 HA GLN 570 5.721 -10.438 -0.950 519 HB2 GLN 570 HB2 GLN 570 6.406 -12.783 -0.571 520 HB3 GLN 570 HB3 GLN 570 7.104 -11.673 0.596 521 HG2 GLN 570 HG2 GLN 570 5.354 -12.352 2.211 522 HG3 GLN 570 HG3 GLN 570 4.787 -13.541 1.044 523 HE21 GLN 570 HE21 GLN 570 7.490 -14.235 0.147 524 HE22 GLN 570 HE22 GLN 570 8.181 -15.176 1.420 525 H ALA 571 HN ALA 571 3.063 -11.773 0.914 526 HA ALA 571 HA ALA 571 2.026 -13.457 -1.108 527 HB1 ALA 571 HB1 ALA 571 1.447 -13.702 1.256 528 HB2 ALA 571 HB2 ALA 571 0.007 -13.532 0.251 529 HB3 ALA 571 HB3 ALA 571 0.585 -12.165 1.204 530 H MET 572 HN MET 572 1.281 -10.111 -0.162 531 HA MET 572 HA MET 572 -0.884 -9.849 -1.979 532 HB2 MET 572 HB2 MET 572 0.768 -7.604 -0.822 533 HB3 MET 572 HB3 MET 572 -0.871 -7.502 -1.453 534 HG2 MET 572 HG2 MET 572 -1.474 -9.178 0.380 535 HG3 MET 572 HG3 MET 572 0.086 -8.765 1.084 536 HE1 MET 572 HE1 MET 572 -0.221 -7.438 3.209 537 HE2 MET 572 HE2 MET 572 -1.739 -8.330 3.164 538 HE3 MET 572 HE3 MET 572 -1.737 -6.615 3.569 539 H VAL 573 HN VAL 573 2.549 -8.913 -2.170 540 HA VAL 573 HA VAL 573 2.412 -7.586 -4.634 541 HB VAL 573 HB VAL 573 4.704 -9.150 -3.428 542 HG11 VAL 573 HG11 VAL 573 5.018 -8.963 -5.838 543 HG12 VAL 573 HG12 VAL 573 6.157 -7.927 -4.979 544 HG13 VAL 573 HG13 VAL 573 4.736 -7.225 -5.753 545 HG21 VAL 573 HG21 VAL 573 3.979 -7.243 -2.094 546 HG22 VAL 573 HG22 VAL 573 4.122 -6.192 -3.502 547 HG23 VAL 573 HG23 VAL 573 5.561 -6.943 -2.813 548 H GLN 574 HN GLN 574 3.048 -10.996 -3.885 549 HA GLN 574 HA GLN 574 3.360 -11.900 -6.527 550 HB2 GLN 574 HB2 GLN 574 2.474 -13.285 -4.003 551 HB3 GLN 574 HB3 GLN 574 2.660 -14.138 -5.528 552 HG2 GLN 574 HG2 GLN 574 4.849 -12.590 -4.164 553 HG3 GLN 574 HG3 GLN 574 4.614 -14.331 -4.026 554 HE21 GLN 574 HE21 GLN 574 5.015 -15.638 -5.805 555 HE22 GLN 574 HE22 GLN 574 5.946 -15.103 -7.148 556 H TYR 575 HN TYR 575 0.526 -11.389 -4.547 557 HA TYR 575 HA TYR 575 -1.319 -12.755 -6.203 558 HB2 TYR 575 HB2 TYR 575 -1.959 -12.269 -3.948 559 HB3 TYR 575 HB3 TYR 575 -1.682 -10.546 -4.171 560 HD1 TYR 575 HD1 TYR 575 -3.385 -9.141 -5.109 561 HD2 TYR 575 HD2 TYR 575 -3.906 -13.360 -5.012 562 HE1 TYR 575 HE1 TYR 575 -5.755 -8.863 -5.702 563 HE2 TYR 575 HE2 TYR 575 -6.273 -13.089 -5.604 564 HH TYR 575 HH TYR 575 -8.019 -11.396 -5.463 565 H TYR 576 HN TYR 576 -0.541 -9.282 -5.928 566 HA TYR 576 HA TYR 576 -2.252 -8.585 -8.082 567 HB2 TYR 576 HB2 TYR 576 -0.080 -6.985 -6.730 568 HB3 TYR 576 HB3 TYR 576 -1.219 -6.328 -7.906 569 HD1 TYR 576 HD1 TYR 576 -3.760 -6.914 -7.325 570 HD2 TYR 576 HD2 TYR 576 -0.606 -6.707 -4.500 571 HE1 TYR 576 HE1 TYR 576 -5.396 -6.452 -5.550 572 HE2 TYR 576 HE2 TYR 576 -2.229 -6.257 -2.710 573 HH TYR 576 HH TYR 576 -4.519 -5.325 -2.502 574 H GLN 577 HN GLN 577 0.931 -9.834 -8.090 575 HA GLN 577 HA GLN 577 1.740 -8.787 -10.603 576 HB2 GLN 577 HB2 GLN 577 2.495 -11.354 -9.196 577 HB3 GLN 577 HB3 GLN 577 3.234 -10.811 -10.696 578 HG2 GLN 577 HG2 GLN 577 3.308 -9.387 -8.049 579 HG3 GLN 577 HG3 GLN 577 4.636 -10.259 -8.812 580 HE21 GLN 577 HE21 GLN 577 4.375 -7.450 -7.980 581 HE22 GLN 577 HE22 GLN 577 4.733 -6.517 -9.392 582 H GLU 578 HN GLU 578 -0.033 -11.686 -9.634 583 HA GLU 578 HA GLU 578 -0.504 -12.373 -12.418 584 HB2 GLU 578 HB2 GLU 578 -1.365 -13.711 -9.854 585 HB3 GLU 578 HB3 GLU 578 -1.738 -14.322 -11.460 586 HG2 GLU 578 HG2 GLU 578 0.749 -14.370 -11.879 587 HG3 GLU 578 HG3 GLU 578 0.949 -14.059 -10.154 588 H LYS 579 HN LYS 579 -2.390 -11.242 -9.613 589 HA LYS 579 HA LYS 579 -4.461 -10.391 -11.518 590 HB2 LYS 579 HB2 LYS 579 -4.913 -11.547 -8.752 591 HB3 LYS 579 HB3 LYS 579 -6.158 -10.856 -9.776 592 HG2 LYS 579 HG2 LYS 579 -5.867 -12.612 -11.394 593 HG3 LYS 579 HG3 LYS 579 -4.503 -13.266 -10.484 594 HD2 LYS 579 HD2 LYS 579 -7.240 -12.959 -9.296 595 HD3 LYS 579 HD3 LYS 579 -6.751 -14.421 -10.160 596 HE2 LYS 579 HE2 LYS 579 -4.865 -14.654 -8.569 597 HE3 LYS 579 HE3 LYS 579 -5.467 -13.247 -7.694 598 HZ1 LYS 579 HZ1 LYS 579 -6.239 -15.195 -6.596 599 HZ2 LYS 579 HZ2 LYS 579 -6.832 -15.858 -8.033 600 HZ3 LYS 579 HZ3 LYS 579 -7.574 -14.492 -7.366 601 HA PRO 580 HA PRO 580 -2.987 -6.701 -9.260 602 HB2 PRO 580 HB2 PRO 580 -3.615 -4.939 -11.219 603 HB3 PRO 580 HB1 PRO 580 -2.132 -5.899 -11.241 604 HG2 PRO 580 HG2 PRO 580 -4.705 -6.355 -12.694 605 HG3 PRO 580 HG3 PRO 580 -3.040 -6.523 -13.281 606 HD2 PRO 580 HD2 PRO 580 -4.556 -8.641 -12.508 607 HD3 PRO 580 HD3 PRO 580 -2.789 -8.610 -12.347 608 H ALA 581 HN ALA 581 -4.091 -4.819 -8.450 609 HA ALA 581 HA ALA 581 -6.958 -5.256 -8.160 610 HB1 ALA 581 HB1 ALA 581 -6.844 -3.555 -6.424 611 HB2 ALA 581 HB2 ALA 581 -5.173 -3.198 -6.859 612 HB3 ALA 581 HB3 ALA 581 -5.588 -4.766 -6.169 613 H ILE 582 HN ILE 582 -8.474 -4.062 -9.162 614 HA ILE 582 HA ILE 582 -7.477 -1.973 -10.966 615 HB ILE 582 HB ILE 582 -10.098 -3.468 -11.105 616 HG12 ILE 582 HG12 ILE 582 -7.564 -3.883 -12.708 617 HG13 ILE 582 HG13 ILE 582 -8.108 -4.934 -11.405 618 HG21 ILE 582 HG21 ILE 582 -10.155 -1.284 -12.190 619 HG22 ILE 582 HG22 ILE 582 -10.203 -2.578 -13.385 620 HG23 ILE 582 HG23 ILE 582 -8.705 -1.692 -13.108 621 HD11 ILE 582 HD11 ILE 582 -9.539 -4.436 -14.003 622 HD12 ILE 582 HD12 ILE 582 -10.117 -5.466 -12.695 623 HD13 ILE 582 HD13 ILE 582 -8.640 -5.887 -13.559 624 H ILE 583 HN ILE 583 -7.821 0.046 -10.422 625 HA ILE 583 HA ILE 583 -10.303 0.742 -8.991 626 HB ILE 583 HB ILE 583 -7.551 1.944 -8.639 627 HG12 ILE 583 HG12 ILE 583 -8.008 -0.088 -7.312 628 HG13 ILE 583 HG13 ILE 583 -7.823 1.335 -6.294 629 HG21 ILE 583 HG21 ILE 583 -10.156 2.934 -7.492 630 HG22 ILE 583 HG22 ILE 583 -9.246 3.708 -8.787 631 HG23 ILE 583 HG23 ILE 583 -8.552 3.594 -7.169 632 HD11 ILE 583 HD11 ILE 583 -10.271 1.489 -6.118 633 HD12 ILE 583 HD12 ILE 583 -9.623 -0.020 -5.476 634 HD13 ILE 583 HD13 ILE 583 -10.407 0.001 -7.056 635 H ASN 584 HN ASN 584 -11.581 1.874 -10.297 636 HA ASN 584 HA ASN 584 -12.339 3.299 -11.888 637 HB2 ASN 584 HB2 ASN 584 -9.678 4.653 -11.401 638 HB3 ASN 584 HB3 ASN 584 -10.945 5.316 -12.421 639 HD21 ASN 584 HD21 ASN 584 -11.141 7.133 -11.163 640 HD22 ASN 584 HD22 ASN 584 -11.865 7.117 -9.592 641 H GLY 585 HN GLY 585 -10.974 0.904 -12.615 642 HA2 GLY 585 HA2 GLY 585 -10.572 -0.121 -14.635 643 HA3 GLY 585 HA3 GLY 585 -10.627 1.449 -15.416 644 H GLU 586 HN GLU 586 -8.491 1.634 -12.867 645 HA GLU 586 HA GLU 586 -6.238 1.121 -14.683 646 HB2 GLU 586 HB2 GLU 586 -6.443 3.020 -12.343 647 HB3 GLU 586 HB3 GLU 586 -4.979 2.741 -13.279 648 HG2 GLU 586 HG2 GLU 586 -6.124 3.545 -15.293 649 HG3 GLU 586 HG3 GLU 586 -7.570 3.853 -14.335 650 H LYS 587 HN LYS 587 -4.854 -0.404 -14.212 651 HA LYS 587 HA LYS 587 -5.239 -2.086 -11.937 652 HB2 LYS 587 HB2 LYS 587 -2.974 -2.126 -13.931 653 HB3 LYS 587 HB3 LYS 587 -3.487 -3.448 -12.890 654 HG2 LYS 587 HG2 LYS 587 -5.629 -3.543 -14.085 655 HG3 LYS 587 HG3 LYS 587 -5.079 -2.247 -15.148 656 HD2 LYS 587 HD2 LYS 587 -3.161 -3.697 -15.803 657 HD3 LYS 587 HD3 LYS 587 -3.889 -5.001 -14.865 658 HE2 LYS 587 HE2 LYS 587 -4.499 -5.302 -17.161 659 HE3 LYS 587 HE3 LYS 587 -5.931 -4.783 -16.274 660 HZ1 LYS 587 HZ1 LYS 587 -5.736 -3.622 -18.372 661 HZ2 LYS 587 HZ2 LYS 587 -4.204 -3.045 -17.951 662 HZ3 LYS 587 HZ3 LYS 587 -5.566 -2.532 -17.091 663 H LEU 588 HN LEU 588 -4.343 -1.937 -10.020 664 HA LEU 588 HA LEU 588 -2.309 0.031 -9.478 665 HB2 LEU 588 HB2 LEU 588 -3.568 -1.968 -7.611 666 HB3 LEU 588 HB1 LEU 588 -2.642 -0.551 -7.152 667 HG LEU 588 HG LEU 588 -5.353 -0.568 -8.474 668 HD11 LEU 588 HD11 LEU 588 -6.030 0.516 -6.350 669 HD12 LEU 588 HD12 LEU 588 -4.425 0.164 -5.710 670 HD13 LEU 588 HD13 LEU 588 -5.502 -1.155 -6.170 671 HD21 LEU 588 HD21 LEU 588 -3.617 1.745 -7.640 672 HD22 LEU 588 HD22 LEU 588 -5.293 1.862 -8.180 673 HD23 LEU 588 HD23 LEU 588 -4.044 1.298 -9.291 674 H LEU 589 HN LEU 589 -0.247 -0.320 -8.855 675 HA LEU 589 HA LEU 589 0.745 -3.086 -9.108 676 HB2 LEU 589 HB2 LEU 589 1.574 -1.580 -10.861 677 HB3 LEU 589 HB1 LEU 589 2.194 -0.486 -9.640 678 HG LEU 589 HG LEU 589 3.739 -2.295 -8.885 679 HD11 LEU 589 HD11 LEU 589 4.108 -4.183 -10.427 680 HD12 LEU 589 HD12 LEU 589 2.676 -3.691 -11.331 681 HD13 LEU 589 HD13 LEU 589 2.523 -4.227 -9.658 682 HD21 LEU 589 HD21 LEU 589 5.272 -2.084 -10.776 683 HD22 LEU 589 HD22 LEU 589 4.498 -0.544 -10.399 684 HD23 LEU 589 HD23 LEU 589 3.949 -1.492 -11.782 685 H ILE 590 HN ILE 590 1.058 -3.890 -7.117 686 HA ILE 590 HA ILE 590 2.180 -2.130 -5.063 687 HB ILE 590 HB ILE 590 0.907 -4.859 -4.770 688 HG12 ILE 590 HG12 ILE 590 -0.039 -2.058 -4.167 689 HG13 ILE 590 HG13 ILE 590 -0.780 -3.234 -5.241 690 HG21 ILE 590 HG21 ILE 590 2.654 -4.542 -3.106 691 HG22 ILE 590 HG22 ILE 590 1.062 -4.469 -2.351 692 HG23 ILE 590 HG23 ILE 590 1.962 -2.983 -2.656 693 HD11 ILE 590 HD11 ILE 590 -2.097 -3.053 -3.253 694 HD12 ILE 590 HD12 ILE 590 -0.684 -3.335 -2.229 695 HD13 ILE 590 HD13 ILE 590 -1.304 -4.630 -3.259 696 H ARG 591 HN ARG 591 4.195 -2.361 -4.351 697 HA ARG 591 HA ARG 591 5.739 -4.756 -4.950 698 HB2 ARG 591 HB2 ARG 591 6.373 -2.023 -6.063 699 HB3 ARG 591 HB3 ARG 591 7.592 -3.274 -5.888 700 HG2 ARG 591 HG2 ARG 591 6.331 -4.726 -7.384 701 HG3 ARG 591 HG3 ARG 591 5.096 -3.476 -7.556 702 HD2 ARG 591 HD2 ARG 591 6.660 -3.480 -9.442 703 HD3 ARG 591 HD3 ARG 591 6.722 -1.970 -8.539 704 HE ARG 591 HE ARG 591 8.727 -3.166 -7.397 705 HH11 ARG 591 HH11 ARG 591 7.862 -3.359 -10.783 706 HH12 ARG 591 HH12 ARG 591 9.500 -3.557 -11.317 707 HH21 ARG 591 HH21 ARG 591 10.879 -3.421 -8.090 708 HH22 ARG 591 HH22 ARG 591 11.220 -3.614 -9.782 709 H MET 592 HN MET 592 7.928 -4.613 -3.919 710 HA MET 592 HA MET 592 7.627 -3.451 -1.290 711 HB2 MET 592 HB2 MET 592 9.787 -5.173 -2.500 712 HB3 MET 592 HB3 MET 592 9.816 -4.591 -0.840 713 HG2 MET 592 HG2 MET 592 7.627 -5.722 -0.484 714 HG3 MET 592 HG3 MET 592 7.791 -6.426 -2.091 715 HE1 MET 592 HE1 MET 592 7.322 -8.063 0.594 716 HE2 MET 592 HE2 MET 592 8.421 -9.422 0.355 717 HE3 MET 592 HE3 MET 592 7.451 -8.824 -0.993 718 H SER 593 HN SER 593 9.121 -2.016 -0.318 719 HA SER 593 HA SER 593 9.906 0.050 -2.171 720 HB2 SER 593 HB2 SER 593 10.355 1.348 -0.109 721 HB3 SER 593 HB3 SER 593 8.732 0.656 -0.124 722 HG SER 593 HG SER 593 10.546 0.359 1.736 723 H THR 594 HN THR 594 11.882 0.511 -2.795 724 HA THR 594 HA THR 594 14.120 -1.044 -1.791 725 HB THR 594 HB THR 594 15.353 0.196 -3.644 726 HG1 THR 594 HG1 THR 594 14.247 1.542 -4.891 727 HG21 THR 594 HG21 THR 594 14.545 -2.097 -3.915 728 HG22 THR 594 HG22 THR 594 14.369 -1.189 -5.415 729 HG23 THR 594 HG23 THR 594 12.961 -1.489 -4.395 730 H ARG 595 HN ARG 595 12.719 2.031 -1.234 731 HA ARG 595 HA ARG 595 15.341 3.239 -0.682 732 HB2 ARG 595 HB2 ARG 595 12.718 4.621 -1.245 733 HB3 ARG 595 HB3 ARG 595 14.270 5.411 -0.993 734 HG2 ARG 595 HG2 ARG 595 15.163 4.291 -2.965 735 HG3 ARG 595 HG3 ARG 595 13.604 3.516 -3.232 736 HD2 ARG 595 HD2 ARG 595 12.596 5.792 -3.421 737 HD3 ARG 595 HD3 ARG 595 14.226 6.463 -3.343 738 HE ARG 595 HE ARG 595 14.382 4.653 -5.352 739 HH11 ARG 595 HH11 ARG 595 12.307 7.398 -4.719 740 HH12 ARG 595 HH12 ARG 595 11.952 7.674 -6.394 741 HH21 ARG 595 HH21 ARG 595 13.942 5.031 -7.555 742 HH22 ARG 595 HH22 ARG 595 12.902 6.341 -8.009 743 H TYR 596 HN TYR 596 12.221 2.580 0.812 744 HA TYR 596 HA TYR 596 13.290 3.743 3.299 745 HB2 TYR 596 HB2 TYR 596 10.498 3.895 2.188 746 HB3 TYR 596 HB3 TYR 596 10.820 4.132 3.901 747 HD1 TYR 596 HD1 TYR 596 11.153 5.556 0.552 748 HD2 TYR 596 HD2 TYR 596 12.043 6.101 4.677 749 HE1 TYR 596 HE1 TYR 596 11.671 7.920 0.122 750 HE2 TYR 596 HE2 TYR 596 12.564 8.468 4.257 751 HH TYR 596 HH TYR 596 13.288 9.881 2.346 752 H LYS 597 HN LYS 597 13.009 2.664 5.193 753 HA LYS 597 HA LYS 597 11.981 -0.078 4.950 754 HB2 LYS 597 HB2 LYS 597 14.095 1.062 6.766 755 HB3 LYS 597 HB3 LYS 597 13.376 -0.527 7.017 756 HG2 LYS 597 HG2 LYS 597 15.339 -0.979 5.859 757 HG3 LYS 597 HG3 LYS 597 14.102 -1.011 4.602 758 HD2 LYS 597 HD2 LYS 597 14.687 1.422 4.171 759 HD3 LYS 597 HD3 LYS 597 16.100 1.158 5.196 760 HE2 LYS 597 HE2 LYS 597 16.724 -0.743 3.698 761 HE3 LYS 597 HE3 LYS 597 15.407 -0.254 2.631 762 HZ1 LYS 597 HZ1 LYS 597 16.524 1.976 2.529 763 HZ2 LYS 597 HZ2 LYS 597 17.377 0.716 1.795 764 HZ3 LYS 597 HZ3 LYS 597 17.852 1.280 3.313 765 H GLU 598 HN GLU 598 11.102 2.882 6.270 766 HA GLU 598 HA GLU 598 9.302 1.522 8.113 767 HB2 GLU 598 HB2 GLU 598 11.279 2.178 9.458 768 HB3 GLU 598 HB3 GLU 598 11.044 3.847 8.964 769 HG2 GLU 598 HG2 GLU 598 8.891 3.900 10.094 770 HG3 GLU 598 HG3 GLU 598 9.089 2.210 10.563 771 H LEU 599 HN LEU 599 7.436 2.629 8.532 772 HA LEU 599 HA LEU 599 6.949 4.998 6.852 773 HB2 LEU 599 HB2 LEU 599 4.959 3.042 7.995 774 HB3 LEU 599 HB1 LEU 599 4.541 4.462 7.057 775 HG LEU 599 HG LEU 599 5.967 1.984 6.109 776 HD11 LEU 599 HD11 LEU 599 3.466 3.352 5.152 777 HD12 LEU 599 HD12 LEU 599 3.505 1.946 6.215 778 HD13 LEU 599 HD13 LEU 599 4.128 1.826 4.568 779 HD21 LEU 599 HD21 LEU 599 5.550 4.558 4.603 780 HD22 LEU 599 HD22 LEU 599 6.206 3.059 3.947 781 HD23 LEU 599 HD23 LEU 599 7.100 3.947 5.179 782 H GLN 600 HN GLN 600 6.790 6.862 7.757 783 HA GLN 600 HA GLN 600 6.152 7.067 10.617 784 HB2 GLN 600 HB2 GLN 600 8.333 7.968 9.970 785 HB3 GLN 600 HB3 GLN 600 7.575 8.984 8.754 786 HG2 GLN 600 HG2 GLN 600 6.408 10.210 10.528 787 HG3 GLN 600 HG3 GLN 600 7.221 9.210 11.733 788 HE21 GLN 600 HE21 GLN 600 7.596 11.718 9.367 789 HE22 GLN 600 HE22 GLN 600 9.154 12.259 9.881 790 H LEU 601 HN LEU 601 4.263 8.030 11.205 791 HA LEU 601 HA LEU 601 2.536 8.933 9.038 792 HB2 LEU 601 HB2 LEU 601 1.935 8.363 11.937 793 HB3 LEU 601 HB1 LEU 601 0.745 8.863 10.752 794 HG LEU 601 HG LEU 601 2.322 6.290 10.684 795 HD11 LEU 601 HD11 LEU 601 0.201 5.234 11.183 796 HD12 LEU 601 HD12 LEU 601 -0.592 6.808 11.245 797 HD13 LEU 601 HD13 LEU 601 0.625 6.385 12.448 798 HD21 LEU 601 HD21 LEU 601 1.832 7.073 8.434 799 HD22 LEU 601 HD22 LEU 601 0.141 7.319 8.868 800 HD23 LEU 601 HD23 LEU 601 0.814 5.689 8.833 801 H LYS 602 HN LYS 602 3.414 10.959 8.609 802 HA LYS 602 HA LYS 602 3.541 12.965 10.674 803 HB2 LYS 602 HB2 LYS 602 3.677 13.279 7.668 804 HB3 LYS 602 HB3 LYS 602 4.068 14.520 8.850 805 HG2 LYS 602 HG2 LYS 602 5.848 12.973 9.725 806 HG3 LYS 602 HG3 LYS 602 5.544 11.959 8.317 807 HD2 LYS 602 HD2 LYS 602 7.421 13.414 7.879 808 HD3 LYS 602 HD3 LYS 602 6.062 13.884 6.859 809 HE2 LYS 602 HE2 LYS 602 5.562 15.751 8.260 810 HE3 LYS 602 HE3 LYS 602 6.701 15.207 9.489 811 HZ1 LYS 602 HZ1 LYS 602 7.444 16.077 6.750 812 HZ2 LYS 602 HZ2 LYS 602 8.512 15.636 7.984 813 HZ3 LYS 602 HZ3 LYS 602 7.571 17.030 8.140 814 H LYS 603 HN LYS 603 1.162 11.679 8.628 815 HA LYS 603 HA LYS 603 -0.637 13.933 9.206 816 HB2 LYS 603 HB2 LYS 603 -0.743 11.957 6.914 817 HB3 LYS 603 HB3 LYS 603 -1.936 13.213 7.221 818 HG2 LYS 603 HG2 LYS 603 0.960 13.625 6.515 819 HG3 LYS 603 HG3 LYS 603 -0.436 13.913 5.474 820 HD2 LYS 603 HD2 LYS 603 -1.220 15.655 6.996 821 HD3 LYS 603 HD3 LYS 603 0.152 15.353 8.062 822 HE2 LYS 603 HE2 LYS 603 0.598 17.288 6.702 823 HE3 LYS 603 HE3 LYS 603 1.673 15.975 6.229 824 HZ1 LYS 603 HZ1 LYS 603 -0.794 16.821 4.816 825 HZ2 LYS 603 HZ2 LYS 603 0.167 15.500 4.372 826 HZ3 LYS 603 HZ3 LYS 603 0.798 17.068 4.293 827 HA PRO 604 HA PRO 604 -3.194 11.367 11.706 828 HB2 PRO 604 HB2 PRO 604 -5.686 12.028 10.655 829 HB3 PRO 604 HB1 PRO 604 -4.837 12.919 11.921 830 HG2 PRO 604 HG2 PRO 604 -4.996 13.470 8.993 831 HG3 PRO 604 HG3 PRO 604 -4.992 14.609 10.353 832 HD2 PRO 604 HD2 PRO 604 -2.811 14.225 8.851 833 HD3 PRO 604 HD3 PRO 604 -2.688 14.488 10.604 834 H GLY 605 HN GLY 605 -3.699 9.290 11.607 835 HA2 GLY 605 HA2 GLY 605 -5.261 7.982 9.723 836 HA3 GLY 605 HA3 GLY 605 -3.599 7.869 9.159 837 H LYS 606 HN LYS 606 -5.703 7.192 11.925 838 HA LYS 606 HA LYS 606 -3.722 5.190 12.777 839 HB2 LYS 606 HB2 LYS 606 -4.380 5.552 15.071 840 HB3 LYS 606 HB3 LYS 606 -3.920 7.083 14.344 841 HG2 LYS 606 HG2 LYS 606 -6.331 7.573 14.000 842 HG3 LYS 606 HG3 LYS 606 -6.709 6.102 14.897 843 HD2 LYS 606 HD2 LYS 606 -5.379 7.028 16.803 844 HD3 LYS 606 HD3 LYS 606 -5.248 8.538 15.902 845 HE2 LYS 606 HE2 LYS 606 -7.738 8.622 15.826 846 HE3 LYS 606 HE3 LYS 606 -7.769 7.220 16.893 847 HZ1 LYS 606 HZ1 LYS 606 -6.619 9.883 17.508 848 HZ2 LYS 606 HZ2 LYS 606 -6.493 8.536 18.518 849 HZ3 LYS 606 HZ3 LYS 606 -8.011 9.204 18.185 850 H ASN 607 HN ASN 607 -7.100 5.798 12.100 851 HA ASN 607 HA ASN 607 -7.873 3.259 13.279 852 HB2 ASN 607 HB2 ASN 607 -9.457 5.239 13.282 853 HB3 ASN 607 HB3 ASN 607 -9.649 4.985 11.547 854 HD21 ASN 607 HD21 ASN 607 -11.528 4.698 13.879 855 HD22 ASN 607 HD22 ASN 607 -12.175 3.097 13.724 856 H VAL 608 HN VAL 608 -7.540 1.455 12.304 857 HA VAL 608 HA VAL 608 -7.924 1.306 9.392 858 HB VAL 608 HB VAL 608 -5.867 -0.196 11.040 859 HG11 VAL 608 HG11 VAL 608 -5.074 -1.083 8.882 860 HG12 VAL 608 HG12 VAL 608 -6.475 -0.354 8.096 861 HG13 VAL 608 HG13 VAL 608 -6.701 -1.633 9.287 862 HG21 VAL 608 HG21 VAL 608 -5.553 1.934 8.919 863 HG22 VAL 608 HG22 VAL 608 -4.231 1.025 9.653 864 HG23 VAL 608 HG23 VAL 608 -5.212 2.103 10.643 865 H ALA 609 HN ALA 609 -8.985 0.485 12.385 866 HA ALA 609 HA ALA 609 -9.829 -2.216 12.050 867 HB1 ALA 609 HB1 ALA 609 -9.589 -1.211 14.261 868 HB2 ALA 609 HB2 ALA 609 -11.246 -1.763 14.010 869 HB3 ALA 609 HB3 ALA 609 -10.860 -0.044 13.883 870 H ALA 610 HN ALA 610 -11.345 0.940 11.649 871 HA ALA 610 HA ALA 610 -13.944 0.084 11.035 872 HB1 ALA 610 HB1 ALA 610 -14.247 2.323 10.083 873 HB2 ALA 610 HB2 ALA 610 -12.501 2.581 10.136 874 HB3 ALA 610 HB3 ALA 610 -13.411 2.388 11.634 875 H ILE 611 HN ILE 611 -11.050 0.278 9.147 876 HA ILE 611 HA ILE 611 -12.300 0.180 6.590 877 HB ILE 611 HB ILE 611 -9.448 -0.509 7.369 878 HG12 ILE 611 HG12 ILE 611 -10.646 2.035 6.231 879 HG13 ILE 611 HG13 ILE 611 -10.176 1.812 7.913 880 HG21 ILE 611 HG21 ILE 611 -10.144 -1.465 5.207 881 HG22 ILE 611 HG22 ILE 611 -8.939 -0.193 5.014 882 HG23 ILE 611 HG23 ILE 611 -10.635 0.141 4.668 883 HD11 ILE 611 HD11 ILE 611 -8.483 3.043 6.740 884 HD12 ILE 611 HD12 ILE 611 -8.359 1.777 5.521 885 HD13 ILE 611 HD13 ILE 611 -7.853 1.454 7.179 886 H ILE 612 HN ILE 612 -11.016 -2.225 8.849 887 HA ILE 612 HA ILE 612 -11.346 -4.522 7.283 888 HB ILE 612 HB ILE 612 -11.866 -4.293 10.262 889 HG12 ILE 612 HG12 ILE 612 -9.287 -4.994 8.843 890 HG13 ILE 612 HG13 ILE 612 -9.624 -3.437 9.594 891 HG21 ILE 612 HG21 ILE 612 -11.150 -6.667 8.545 892 HG22 ILE 612 HG22 ILE 612 -12.699 -6.366 9.331 893 HG23 ILE 612 HG23 ILE 612 -11.263 -6.680 10.305 894 HD11 ILE 612 HD11 ILE 612 -9.802 -4.520 11.767 895 HD12 ILE 612 HD12 ILE 612 -8.240 -4.846 11.013 896 HD13 ILE 612 HD13 ILE 612 -9.494 -6.086 11.016 897 H GLN 613 HN GLN 613 -13.625 -2.750 9.327 898 HA GLN 613 HA GLN 613 -15.807 -4.540 8.991 899 HB2 GLN 613 HB2 GLN 613 -15.898 -1.579 9.602 900 HB3 GLN 613 HB3 GLN 613 -17.179 -2.744 9.900 901 HG2 GLN 613 HG2 GLN 613 -14.498 -2.623 11.260 902 HG3 GLN 613 HG3 GLN 613 -16.062 -2.215 11.959 903 HE21 GLN 613 HE21 GLN 613 -13.937 -4.765 10.993 904 HE22 GLN 613 HE22 GLN 613 -14.798 -6.051 11.739 905 H ASP 614 HN ASP 614 -14.611 -1.788 7.265 906 HA ASP 614 HA ASP 614 -16.820 -1.377 5.532 907 HB2 ASP 614 HB2 ASP 614 -15.015 0.300 5.915 908 HB3 ASP 614 HB3 ASP 614 -13.923 -0.714 4.975 909 H ILE 615 HN ILE 615 -13.861 -3.304 5.230 910 HA ILE 615 HA ILE 615 -14.243 -4.234 2.616 911 HB ILE 615 HB ILE 615 -12.978 -5.689 4.946 912 HG12 ILE 615 HG12 ILE 615 -11.717 -4.089 2.708 913 HG13 ILE 615 HG13 ILE 615 -11.965 -3.501 4.353 914 HG21 ILE 615 HG21 ILE 615 -13.607 -7.231 3.150 915 HG22 ILE 615 HG22 ILE 615 -11.856 -7.062 3.267 916 HG23 ILE 615 HG23 ILE 615 -12.739 -6.233 1.985 917 HD11 ILE 615 HD11 ILE 615 -10.203 -5.774 3.494 918 HD12 ILE 615 HD12 ILE 615 -10.520 -5.324 5.169 919 HD13 ILE 615 HD13 ILE 615 -9.701 -4.193 4.093 920 H HIS 616 HN HIS 616 -15.441 -5.482 5.706 921 HA HIS 616 HA HIS 616 -16.729 -7.751 4.610 922 HB2 HIS 616 HB2 HIS 616 -17.105 -6.255 7.194 923 HB3 HIS 616 HB3 HIS 616 -18.127 -7.623 6.763 924 HD1 HIS 616 HD1 HIS 616 -16.958 -9.970 6.617 925 HD2 HIS 616 HD2 HIS 616 -14.561 -6.902 8.074 926 HE1 HIS 616 HE1 HIS 616 -14.977 -11.101 7.673 927 HE2 HIS 616 HE2 HIS 616 -13.645 -9.233 8.713 928 H SER 617 HN SER 617 -17.643 -4.411 4.853 929 HA SER 617 HA SER 617 -20.390 -4.803 4.221 930 HB2 SER 617 HB2 SER 617 -18.717 -2.312 3.834 931 HB3 SER 617 HB3 SER 617 -20.475 -2.398 3.947 932 HG SER 617 HG SER 617 -19.356 -3.577 6.095 933 H GLN 618 HN GLN 618 -17.445 -4.508 2.402 934 HA GLN 618 HA GLN 618 -18.843 -4.079 -0.119 935 HB2 GLN 618 HB2 GLN 618 -15.910 -4.245 0.576 936 HB3 GLN 618 HB3 GLN 618 -16.515 -4.006 -1.055 937 HG2 GLN 618 HG2 GLN 618 -17.036 -2.158 1.260 938 HG3 GLN 618 HG3 GLN 618 -15.786 -1.927 0.039 939 HE21 GLN 618 HE21 GLN 618 -19.175 -1.814 0.726 940 HE22 GLN 618 HE22 GLN 618 -19.656 -1.018 -0.730 941 H ARG 619 HN ARG 619 -16.225 -6.260 0.888 942 HA ARG 619 HA ARG 619 -15.675 -8.381 0.336 943 HB2 ARG 619 HB2 ARG 619 -18.647 -8.727 -0.081 944 HB3 ARG 619 HB3 ARG 619 -17.476 -10.024 0.098 945 HG2 ARG 619 HG2 ARG 619 -17.015 -9.350 2.367 946 HG3 ARG 619 HG3 ARG 619 -18.085 -7.957 2.197 947 HD2 ARG 619 HD2 ARG 619 -18.865 -10.865 2.092 948 HD3 ARG 619 HD3 ARG 619 -19.237 -9.716 3.376 949 HE ARG 619 HE ARG 619 -20.336 -9.577 0.639 950 HH11 ARG 619 HH11 ARG 619 -20.579 -8.924 4.067 951 HH12 ARG 619 HH12 ARG 619 -22.223 -8.394 3.976 952 HH21 ARG 619 HH21 ARG 619 -22.491 -8.849 0.516 953 HH22 ARG 619 HH22 ARG 619 -23.311 -8.345 1.959 954 H GLU 620 HN GLU 620 -14.595 -7.518 -1.551 955 HA GLU 620 HA GLU 620 -15.884 -7.581 -4.102 956 HB2 GLU 620 HB2 GLU 620 -13.927 -6.159 -3.693 957 HB3 GLU 620 HB3 GLU 620 -12.941 -7.583 -3.399 958 HG2 GLU 620 HG2 GLU 620 -13.469 -8.302 -5.751 959 HG3 GLU 620 HG3 GLU 620 -14.181 -6.707 -5.990 960 H ARG 621 HN ARG 621 -16.838 -9.624 -4.247 961 HA ARG 621 HA ARG 621 -14.925 -11.802 -4.770 962 HB2 ARG 621 HB2 ARG 621 -17.743 -12.098 -3.701 963 HB3 ARG 621 HB3 ARG 621 -16.627 -13.408 -4.049 964 HG2 ARG 621 HG2 ARG 621 -16.327 -11.312 -1.908 965 HG3 ARG 621 HG3 ARG 621 -16.720 -13.015 -1.676 966 HD2 ARG 621 HD2 ARG 621 -14.142 -11.889 -2.759 967 HD3 ARG 621 HD3 ARG 621 -14.385 -12.630 -1.179 968 HE ARG 621 HE ARG 621 -15.112 -14.622 -2.798 969 HH11 ARG 621 HH11 ARG 621 -12.337 -12.497 -2.883 970 HH12 ARG 621 HH12 ARG 621 -11.298 -13.672 -3.621 971 HH21 ARG 621 HH21 ARG 621 -13.744 -16.172 -3.786 972 HH22 ARG 621 HH22 ARG 621 -12.098 -15.756 -4.138 Start of MODEL 25 1 HO5' ADN 1 H5T ADE 1 10.525 -1.128 -13.097 2 H5'1 ADN 1 H5' ADE 1 12.385 0.486 -12.496 3 H5'2 ADN 1 H5'' ADE 1 11.067 1.064 -11.465 4 H4' ADN 1 H4' ADE 1 11.484 1.534 -14.201 5 H3' ADN 1 H3' ADE 1 10.189 2.921 -12.307 6 H2' ADN 1 H2' ADE 1 8.287 1.426 -12.120 7 HO2' ADN 1 HO2' ADE 1 6.893 2.496 -14.090 8 H1' ADN 1 H1' ADE 1 8.274 1.253 -15.186 9 H8 ADN 1 H8 ADE 1 8.729 -1.925 -13.432 10 HN61 ADN 1 H61 ADE 1 4.145 -3.545 -13.345 11 HN62 ADN 1 H62 ADE 1 2.604 -2.789 -13.682 12 H2 ADN 1 H2 ADE 1 3.450 1.470 -14.777 13 H5' U 2 H5' URI 2 10.141 6.473 -11.707 14 H5'' U 2 H5'' URI 2 10.261 4.925 -10.848 15 H4' U 2 H4' URI 2 8.502 7.144 -10.405 16 H3' U 2 H3' URI 2 9.774 5.461 -8.714 17 H2' U 2 H2' URI 2 8.408 3.511 -9.227 18 HO2' U 2 HO2' URI 2 7.059 4.988 -7.185 19 H1' U 2 H1' URI 2 6.022 5.464 -9.182 20 H3 U 2 H3 URI 2 2.814 2.845 -10.785 21 H5 U 2 H5 URI 2 6.256 0.519 -11.372 22 H6 U 2 H6 URI 2 7.553 2.366 -10.537 23 H5' C 3 H5' CYT 3 6.851 8.424 -6.488 24 H5'' C 3 H5'' CYT 3 7.590 9.813 -5.669 25 H4' C 3 H4' CYT 3 6.497 8.404 -4.072 26 H3' C 3 H3' CYT 3 9.020 9.310 -3.650 27 H2' C 3 H2' CYT 3 10.187 7.298 -4.243 28 HO2' C 3 HO2' CYT 3 9.330 7.023 -1.540 29 H1' C 3 H1' CYT 3 7.926 5.690 -2.923 30 H41 C 3 H41 CYT 3 11.318 1.753 -7.039 31 H42 C 3 H42 CYT 3 10.789 0.777 -5.688 32 H5 C 3 H5 CYT 3 10.835 4.120 -7.222 33 H6 C 3 H6 CYT 3 9.764 6.025 -6.142 34 H5' U 4 H5' URI 4 6.249 11.260 -1.229 35 H5'' U 4 H5'' URI 4 7.369 12.028 -0.091 36 H4' U 4 H4' URI 4 4.639 11.339 0.258 37 H3' U 4 H3' URI 4 6.210 13.316 1.251 38 H2' U 4 H2' URI 4 7.349 11.975 2.908 39 HO2' U 4 HO2' URI 4 5.939 12.127 4.887 40 H1' U 4 H1' URI 4 4.676 10.541 3.403 41 H3 U 4 H3 URI 4 7.280 8.962 6.883 42 H5 U 4 H5 URI 4 8.598 7.041 3.390 43 H6 U 4 H6 URI 4 7.266 8.602 2.127 44 H5' U 5 H5' URI 5 2.595 13.307 -0.266 45 H5'' U 5 H5'' URI 5 1.616 14.762 -0.533 46 H4' U 5 H4' URI 5 0.177 12.877 -0.376 47 H3' U 5 H3' URI 5 -0.395 15.081 1.062 48 H2' U 5 H2' URI 5 0.714 14.299 3.098 49 HO2' U 5 HO2' URI 5 -1.929 14.355 3.113 50 H1' U 5 H1' URI 5 -0.668 11.617 2.485 51 H3 U 5 H3 URI 5 0.615 9.665 6.264 52 H5 U 5 H5 URI 5 4.019 11.862 5.162 53 H6 U 5 H6 URI 5 2.760 12.746 3.314 54 H5' A 6 H5' ADE 6 -4.419 15.157 3.931 55 H5'' A 6 H5'' ADE 6 -4.997 15.624 2.322 56 H4' A 6 H4' ADE 6 -4.188 17.285 4.420 57 H3' A 6 H3' ADE 6 -5.781 17.708 2.316 58 HO3' A 6 H3T ADE 6 -5.925 19.699 3.016 59 H2' A 6 H2' ADE 6 -4.034 17.737 0.635 60 HO2' A 6 HO2' ADE 6 -3.454 20.299 0.882 61 H1' A 6 H1' ADE 6 -2.380 19.481 2.551 62 H8 A 6 H8 ADE 6 -2.418 18.544 -0.827 63 H61 A 6 H61 ADE 6 2.229 17.457 -1.699 64 H62 A 6 H62 ADE 6 3.596 17.107 -0.665 65 H2 A 6 H2 ADE 6 2.121 17.371 3.560 66 H1 GLY 510 HT1 GLY 510 22.052 -4.319 -7.357 67 H2 GLY 510 HT2 GLY 510 21.293 -5.302 -6.212 68 H3 GLY 510 HT3 GLY 510 22.029 -3.860 -5.731 69 HA2 GLY 510 HA3 GLY 510 20.427 -2.591 -7.042 70 HA3 GLY 510 HA2 GLY 510 19.644 -4.105 -7.473 71 H ALA 511 HN ALA 511 18.384 -5.174 -5.972 72 HA ALA 511 HA ALA 511 18.014 -3.850 -3.375 73 HB1 ALA 511 HB1 ALA 511 16.239 -3.075 -4.858 74 HB2 ALA 511 HB2 ALA 511 15.589 -4.102 -3.580 75 HB3 ALA 511 HB3 ALA 511 15.793 -4.743 -5.210 76 H MET 512 HN MET 512 19.596 -6.003 -3.583 77 HA MET 512 HA MET 512 18.005 -8.397 -3.079 78 HB2 MET 512 HB2 MET 512 19.928 -8.654 -4.538 79 HB3 MET 512 HB3 MET 512 20.989 -7.975 -3.314 80 HG2 MET 512 HG2 MET 512 21.191 -10.404 -3.467 81 HG3 MET 512 HG3 MET 512 20.628 -9.882 -1.883 82 HE1 MET 512 HE1 MET 512 18.519 -10.138 -5.223 83 HE2 MET 512 HE2 MET 512 17.918 -11.790 -5.093 84 HE3 MET 512 HE3 MET 512 19.643 -11.495 -5.303 85 H ALA 513 HN ALA 513 19.834 -6.003 -1.381 86 HA ALA 513 HA ALA 513 19.851 -7.632 1.059 87 HB1 ALA 513 HB1 ALA 513 21.277 -5.036 0.488 88 HB2 ALA 513 HB2 ALA 513 21.986 -6.644 0.355 89 HB3 ALA 513 HB3 ALA 513 21.465 -6.038 1.927 90 H GLN 514 HN GLN 514 17.356 -6.795 0.372 91 HA GLN 514 HA GLN 514 16.707 -4.283 1.584 92 HB2 GLN 514 HB2 GLN 514 14.883 -6.563 0.809 93 HB3 GLN 514 HB3 GLN 514 14.370 -4.944 1.261 94 HG2 GLN 514 HG2 GLN 514 15.915 -5.754 -1.182 95 HG3 GLN 514 HG3 GLN 514 14.270 -5.124 -1.101 96 HE21 GLN 514 HE21 GLN 514 13.957 -2.926 -0.672 97 HE22 GLN 514 HE22 GLN 514 15.218 -1.770 -0.878 98 H ARG 515 HN ARG 515 16.766 -3.967 3.675 99 HA ARG 515 HA ARG 515 16.616 -6.154 5.549 100 HB2 ARG 515 HB2 ARG 515 16.831 -3.182 6.072 101 HB3 ARG 515 HB3 ARG 515 17.136 -4.471 7.229 102 HG2 ARG 515 HG2 ARG 515 19.051 -5.212 5.971 103 HG3 ARG 515 HG3 ARG 515 18.712 -4.036 4.703 104 HD2 ARG 515 HD2 ARG 515 19.048 -2.224 6.341 105 HD3 ARG 515 HD3 ARG 515 19.467 -3.430 7.557 106 HE ARG 515 HE ARG 515 21.230 -4.026 5.678 107 HH11 ARG 515 HH11 ARG 515 20.248 -0.883 6.869 108 HH12 ARG 515 HH12 ARG 515 21.791 -0.145 6.574 109 HH21 ARG 515 HH21 ARG 515 23.263 -3.052 5.280 110 HH22 ARG 515 HH22 ARG 515 23.500 -1.375 5.664 111 H LYS 516 HN LYS 516 14.528 -6.930 5.445 112 HA LYS 516 HA LYS 516 12.311 -5.058 5.851 113 HB2 LYS 516 HB2 LYS 516 12.046 -8.021 5.379 114 HB3 LYS 516 HB3 LYS 516 10.872 -6.756 5.053 115 HG2 LYS 516 HG2 LYS 516 13.460 -7.140 3.561 116 HG3 LYS 516 HG3 LYS 516 11.877 -7.688 3.013 117 HD2 LYS 516 HD2 LYS 516 12.506 -4.805 3.622 118 HD3 LYS 516 HD3 LYS 516 12.701 -5.520 2.022 119 HE2 LYS 516 HE2 LYS 516 10.308 -6.160 2.076 120 HE3 LYS 516 HE3 LYS 516 10.146 -5.292 3.603 121 HZ1 LYS 516 HZ1 LYS 516 10.880 -3.272 2.432 122 HZ2 LYS 516 HZ2 LYS 516 9.443 -3.894 1.794 123 HZ3 LYS 516 HZ3 LYS 516 10.906 -4.135 0.980 124 H GLY 517 HN GLY 517 14.378 -6.416 7.815 125 HA2 GLY 517 HA2 GLY 517 12.522 -7.643 9.694 126 HA3 GLY 517 HA3 GLY 517 14.270 -7.549 9.867 127 H ALA 518 HN ALA 518 11.602 -6.631 11.331 128 HA ALA 518 HA ALA 518 10.940 -4.973 12.730 129 HB1 ALA 518 HB1 ALA 518 13.893 -4.350 12.849 130 HB2 ALA 518 HB2 ALA 518 13.053 -5.539 13.844 131 HB3 ALA 518 HB3 ALA 518 12.671 -3.826 14.008 132 H GLY 519 HN GLY 519 10.636 -4.405 10.092 133 HA2 GLY 519 HA2 GLY 519 10.043 -1.788 9.835 134 HA3 GLY 519 HA3 GLY 519 11.757 -1.827 9.435 135 H ARG 520 HN ARG 520 8.691 -2.031 8.163 136 HA ARG 520 HA ARG 520 9.799 -3.207 5.710 137 HB2 ARG 520 HB2 ARG 520 7.095 -3.819 6.911 138 HB3 ARG 520 HB3 ARG 520 7.581 -4.272 5.283 139 HG2 ARG 520 HG2 ARG 520 9.172 -5.807 6.071 140 HG3 ARG 520 HG3 ARG 520 9.113 -5.148 7.708 141 HD2 ARG 520 HD2 ARG 520 6.904 -6.634 6.292 142 HD3 ARG 520 HD3 ARG 520 7.906 -7.251 7.608 143 HE ARG 520 HE ARG 520 5.644 -5.478 7.820 144 HH11 ARG 520 HH11 ARG 520 8.581 -6.603 9.364 145 HH12 ARG 520 HH12 ARG 520 8.108 -6.061 10.941 146 HH21 ARG 520 HH21 ARG 520 5.013 -4.781 9.897 147 HH22 ARG 520 HH22 ARG 520 6.076 -5.039 11.247 148 H VAL 521 HN VAL 521 9.431 -2.061 3.981 149 HA VAL 521 HA VAL 521 7.207 -0.147 3.982 150 HB VAL 521 HB VAL 521 9.780 0.020 2.417 151 HG11 VAL 521 HG11 VAL 521 7.296 1.696 2.310 152 HG12 VAL 521 HG12 VAL 521 8.054 0.804 0.996 153 HG13 VAL 521 HG13 VAL 521 8.853 2.221 1.677 154 HG21 VAL 521 HG21 VAL 521 9.976 0.668 4.762 155 HG22 VAL 521 HG22 VAL 521 8.635 1.794 4.557 156 HG23 VAL 521 HG23 VAL 521 10.147 2.058 3.689 157 H VAL 522 HN VAL 522 5.577 -0.663 2.738 158 HA VAL 522 HA VAL 522 6.103 -2.212 0.288 159 HB VAL 522 HB VAL 522 3.522 -2.235 1.861 160 HG11 VAL 522 HG11 VAL 522 3.027 -4.219 0.468 161 HG12 VAL 522 HG12 VAL 522 4.510 -3.911 -0.438 162 HG13 VAL 522 HG13 VAL 522 3.197 -2.732 -0.468 163 HG21 VAL 522 HG21 VAL 522 5.719 -4.300 1.850 164 HG22 VAL 522 HG22 VAL 522 4.134 -4.492 2.599 165 HG23 VAL 522 HG23 VAL 522 5.255 -3.273 3.207 166 H HIS 523 HN HIS 523 5.663 -1.029 -1.528 167 HA HIS 523 HA HIS 523 4.225 1.499 -1.132 168 HB2 HIS 523 HB2 HIS 523 6.525 1.777 -1.803 169 HB3 HIS 523 HB3 HIS 523 6.349 0.597 -3.091 170 HD1 HIS 523 HD1 HIS 523 5.587 1.437 -5.331 171 HD2 HIS 523 HD2 HIS 523 5.277 4.311 -2.345 172 HE1 HIS 523 HE1 HIS 523 5.152 3.601 -6.524 173 HE2 HIS 523 HE2 HIS 523 5.214 5.347 -4.717 174 H ILE 524 HN ILE 524 2.392 1.833 -2.202 175 HA ILE 524 HA ILE 524 1.611 -0.108 -4.271 176 HB ILE 524 HB ILE 524 -0.190 1.572 -2.510 177 HG12 ILE 524 HG12 ILE 524 0.558 -1.355 -2.400 178 HG13 ILE 524 HG13 ILE 524 0.916 -0.130 -1.193 179 HG21 ILE 524 HG21 ILE 524 -1.220 1.128 -4.649 180 HG22 ILE 524 HG22 ILE 524 -1.987 0.127 -3.416 181 HG23 ILE 524 HG23 ILE 524 -0.816 -0.584 -4.526 182 HD11 ILE 524 HD11 ILE 524 -0.900 -1.590 -0.501 183 HD12 ILE 524 HD12 ILE 524 -1.830 -1.114 -1.924 184 HD13 ILE 524 HD13 ILE 524 -1.445 0.080 -0.684 185 H CYS 525 HN CYS 525 0.957 0.688 -6.231 186 HA CYS 525 HA CYS 525 0.995 3.585 -6.560 187 HB2 CYS 525 HB2 CYS 525 2.495 3.164 -8.625 188 HB3 CYS 525 HB3 CYS 525 3.237 3.201 -7.030 189 HG CYS 525 HG CYS 525 2.527 0.124 -7.345 190 H ASN 526 HN ASN 526 0.387 4.250 -8.719 191 HA ASN 526 HA ASN 526 -0.730 4.133 -10.717 192 HB2 ASN 526 HB2 ASN 526 -1.319 1.268 -9.969 193 HB3 ASN 526 HB3 ASN 526 -1.962 2.044 -11.409 194 HD21 ASN 526 HD21 ASN 526 -0.273 -0.256 -11.280 195 HD22 ASN 526 HD22 ASN 526 1.194 0.137 -12.108 196 H LEU 527 HN LEU 527 -1.583 4.937 -8.105 197 HA LEU 527 HA LEU 527 -4.451 4.467 -8.076 198 HB2 LEU 527 HB2 LEU 527 -2.602 6.058 -6.300 199 HB3 LEU 527 HB1 LEU 527 -4.343 6.072 -6.111 200 HG LEU 527 HG LEU 527 -2.676 3.561 -5.930 201 HD11 LEU 527 HD11 LEU 527 -2.020 5.097 -4.152 202 HD12 LEU 527 HD12 LEU 527 -2.959 3.752 -3.499 203 HD13 LEU 527 HD13 LEU 527 -3.713 5.333 -3.716 204 HD21 LEU 527 HD21 LEU 527 -5.028 3.229 -6.495 205 HD22 LEU 527 HD22 LEU 527 -5.504 4.198 -5.103 206 HD23 LEU 527 HD23 LEU 527 -4.678 2.658 -4.864 207 HA PRO 528 HA PRO 528 -4.900 7.995 -10.762 208 HB2 PRO 528 HB2 PRO 528 -7.752 7.929 -10.209 209 HB3 PRO 528 HB1 PRO 528 -6.907 7.553 -11.709 210 HG2 PRO 528 HG2 PRO 528 -8.166 5.681 -10.167 211 HG3 PRO 528 HG3 PRO 528 -6.804 5.322 -11.242 212 HD2 PRO 528 HD2 PRO 528 -6.853 5.644 -8.280 213 HD3 PRO 528 HD3 PRO 528 -5.870 4.564 -9.291 214 H GLU 529 HN GLU 529 -4.784 10.106 -10.348 215 HA GLU 529 HA GLU 529 -5.100 11.139 -7.736 216 HB2 GLU 529 HB2 GLU 529 -3.561 11.995 -9.542 217 HB3 GLU 529 HB3 GLU 529 -4.976 12.701 -10.310 218 HG2 GLU 529 HG2 GLU 529 -5.340 14.152 -8.440 219 HG3 GLU 529 HG3 GLU 529 -4.074 13.348 -7.512 220 H GLY 530 HN GLY 530 -6.795 12.227 -6.783 221 HA2 GLY 530 HA2 GLY 530 -8.933 13.145 -6.638 222 HA3 GLY 530 HA3 GLY 530 -9.158 12.842 -8.358 223 H SER 531 HN SER 531 -7.878 10.127 -6.966 224 HA SER 531 HA SER 531 -10.402 8.947 -6.164 225 HB2 SER 531 HB2 SER 531 -8.830 7.947 -8.546 226 HB3 SER 531 HB3 SER 531 -10.201 7.110 -7.814 227 HG SER 531 HG SER 531 -10.857 9.665 -8.333 228 H CYS 532 HN CYS 532 -7.529 9.522 -5.242 229 HA CYS 532 HA CYS 532 -6.645 6.824 -4.545 230 HB2 CYS 532 HB2 CYS 532 -5.410 9.484 -3.788 231 HB3 CYS 532 HB3 CYS 532 -4.680 7.897 -3.585 232 HG CYS 532 HG CYS 532 -5.494 8.530 -6.753 233 H THR 533 HN THR 533 -8.126 6.085 -3.033 234 HA THR 533 HA THR 533 -8.643 7.863 -0.748 235 HB THR 533 HB THR 533 -10.608 6.449 -0.301 236 HG1 THR 533 HG1 THR 533 -11.140 4.808 -1.825 237 HG21 THR 533 HG21 THR 533 -11.945 7.077 -2.267 238 HG22 THR 533 HG22 THR 533 -10.465 7.405 -3.167 239 HG23 THR 533 HG23 THR 533 -10.883 8.392 -1.767 240 H GLU 534 HN GLU 534 -8.493 7.014 1.358 241 HA GLU 534 HA GLU 534 -6.309 5.254 1.750 242 HB2 GLU 534 HB2 GLU 534 -8.317 6.132 3.824 243 HB3 GLU 534 HB3 GLU 534 -6.673 5.580 4.097 244 HG2 GLU 534 HG2 GLU 534 -5.787 7.568 2.960 245 HG3 GLU 534 HG3 GLU 534 -7.443 8.107 2.646 246 H ASN 535 HN ASN 535 -9.740 4.916 1.744 247 HA ASN 535 HA ASN 535 -9.936 2.534 3.236 248 HB2 ASN 535 HB2 ASN 535 -11.850 4.041 2.800 249 HB3 ASN 535 HB3 ASN 535 -11.814 3.568 1.107 250 HD21 ASN 535 HD21 ASN 535 -13.768 2.602 0.982 251 HD22 ASN 535 HD22 ASN 535 -14.195 1.171 1.862 252 H ASP 536 HN ASP 536 -9.709 3.081 -0.303 253 HA ASP 536 HA ASP 536 -10.194 0.322 -0.896 254 HB2 ASP 536 HB2 ASP 536 -9.338 2.686 -2.539 255 HB3 ASP 536 HB3 ASP 536 -9.301 1.061 -3.218 256 H VAL 537 HN VAL 537 -7.381 2.354 -0.703 257 HA VAL 537 HA VAL 537 -5.439 0.540 -1.631 258 HB VAL 537 HB VAL 537 -5.031 2.684 0.482 259 HG11 VAL 537 HG11 VAL 537 -3.145 1.092 0.202 260 HG12 VAL 537 HG12 VAL 537 -2.740 2.748 -0.262 261 HG13 VAL 537 HG13 VAL 537 -3.070 1.542 -1.504 262 HG21 VAL 537 HG21 VAL 537 -4.415 4.127 -1.427 263 HG22 VAL 537 HG22 VAL 537 -6.110 3.638 -1.453 264 HG23 VAL 537 HG23 VAL 537 -4.949 2.856 -2.526 265 H ILE 538 HN ILE 538 -6.554 1.245 1.645 266 HA ILE 538 HA ILE 538 -5.115 -0.848 2.889 267 HB ILE 538 HB ILE 538 -7.542 0.673 3.830 268 HG12 ILE 538 HG12 ILE 538 -4.604 0.903 4.507 269 HG13 ILE 538 HG13 ILE 538 -5.523 2.033 3.518 270 HG21 ILE 538 HG21 ILE 538 -5.738 -1.234 5.307 271 HG22 ILE 538 HG22 ILE 538 -7.445 -1.476 4.937 272 HG23 ILE 538 HG23 ILE 538 -6.957 -0.202 6.053 273 HD11 ILE 538 HD11 ILE 538 -6.066 1.440 6.417 274 HD12 ILE 538 HD12 ILE 538 -6.880 2.644 5.414 275 HD13 ILE 538 HD13 ILE 538 -5.170 2.834 5.808 276 H ASN 539 HN ASN 539 -8.342 -0.671 1.423 277 HA ASN 539 HA ASN 539 -9.381 -3.091 2.302 278 HB2 ASN 539 HB2 ASN 539 -9.705 -1.799 -0.414 279 HB3 ASN 539 HB3 ASN 539 -10.583 -3.234 0.085 280 HD21 ASN 539 HD21 ASN 539 -10.919 -2.180 2.841 281 HD22 ASN 539 HD22 ASN 539 -12.145 -0.982 2.708 282 H LEU 540 HN LEU 540 -6.912 -2.447 -0.088 283 HA LEU 540 HA LEU 540 -6.814 -5.151 -1.023 284 HB2 LEU 540 HB2 LEU 540 -4.756 -2.946 -1.139 285 HB3 LEU 540 HB1 LEU 540 -4.654 -4.467 -2.002 286 HG LEU 540 HG LEU 540 -6.602 -2.221 -2.456 287 HD11 LEU 540 HD11 LEU 540 -5.642 -2.332 -4.732 288 HD12 LEU 540 HD12 LEU 540 -4.486 -3.526 -4.151 289 HD13 LEU 540 HD13 LEU 540 -4.471 -1.889 -3.493 290 HD21 LEU 540 HD21 LEU 540 -7.577 -3.639 -4.230 291 HD22 LEU 540 HD22 LEU 540 -7.871 -4.261 -2.607 292 HD23 LEU 540 HD23 LEU 540 -6.635 -5.000 -3.622 293 H GLY 541 HN GLY 541 -4.986 -3.203 1.312 294 HA2 GLY 541 HA2 GLY 541 -3.127 -5.130 2.072 295 HA3 GLY 541 HA3 GLY 541 -3.654 -3.779 3.065 296 H LEU 542 HN LEU 542 -6.250 -4.465 3.670 297 HA LEU 542 HA LEU 542 -5.615 -5.957 5.948 298 HB2 LEU 542 HB2 LEU 542 -8.186 -4.926 4.856 299 HB3 LEU 542 HB1 LEU 542 -8.150 -5.894 6.319 300 HG LEU 542 HG LEU 542 -6.556 -3.361 5.960 301 HD11 LEU 542 HD11 LEU 542 -9.226 -3.786 7.285 302 HD12 LEU 542 HD12 LEU 542 -8.907 -2.825 5.843 303 HD13 LEU 542 HD13 LEU 542 -8.251 -2.323 7.400 304 HD21 LEU 542 HD21 LEU 542 -6.353 -3.488 8.396 305 HD22 LEU 542 HD22 LEU 542 -5.666 -4.911 7.617 306 HD23 LEU 542 HD23 LEU 542 -7.246 -5.008 8.391 307 HA PRO 543 HA PRO 543 -8.437 -9.533 4.219 308 HB2 PRO 543 HB2 PRO 543 -7.597 -9.384 1.364 309 HB3 PRO 543 HB1 PRO 543 -9.164 -9.827 2.056 310 HG2 PRO 543 HG2 PRO 543 -8.884 -7.455 0.950 311 HG3 PRO 543 HG3 PRO 543 -9.729 -7.591 2.510 312 HD2 PRO 543 HD2 PRO 543 -6.883 -6.769 1.973 313 HD3 PRO 543 HD3 PRO 543 -8.092 -5.992 3.018 314 H PHE 544 HN PHE 544 -5.215 -8.741 2.972 315 HA PHE 544 HA PHE 544 -4.481 -11.570 3.165 316 HB2 PHE 544 HB2 PHE 544 -3.008 -9.229 1.953 317 HB3 PHE 544 HB3 PHE 544 -2.399 -10.880 1.999 318 HD1 PHE 544 HD1 PHE 544 -3.677 -12.663 0.782 319 HD2 PHE 544 HD2 PHE 544 -4.450 -8.514 0.274 320 HE1 PHE 544 HE1 PHE 544 -4.826 -13.143 -1.341 321 HE2 PHE 544 HE2 PHE 544 -5.603 -8.983 -1.847 322 HZ PHE 544 HZ PHE 544 -5.791 -11.300 -2.658 323 H GLY 545 HN GLY 545 -4.239 -8.687 4.964 324 HA2 GLY 545 HA2 GLY 545 -2.640 -9.919 6.967 325 HA3 GLY 545 HA3 GLY 545 -1.678 -8.789 6.027 326 H LYS 546 HN LYS 546 -1.578 -7.907 8.339 327 HA LYS 546 HA LYS 546 -3.980 -6.383 9.043 328 HB2 LYS 546 HB2 LYS 546 -2.996 -7.684 10.857 329 HB3 LYS 546 HB3 LYS 546 -1.440 -6.907 10.603 330 HG2 LYS 546 HG2 LYS 546 -2.375 -4.768 11.278 331 HG3 LYS 546 HG3 LYS 546 -3.957 -5.516 11.485 332 HD2 LYS 546 HD2 LYS 546 -1.479 -6.309 13.011 333 HD3 LYS 546 HD3 LYS 546 -2.710 -5.200 13.615 334 HE2 LYS 546 HE2 LYS 546 -3.189 -8.069 12.814 335 HE3 LYS 546 HE3 LYS 546 -2.998 -7.495 14.468 336 HZ1 LYS 546 HZ1 LYS 546 -5.135 -6.600 12.609 337 HZ2 LYS 546 HZ2 LYS 546 -4.977 -6.181 14.240 338 HZ3 LYS 546 HZ3 LYS 546 -5.328 -7.774 13.810 339 H VAL 547 HN VAL 547 -4.100 -4.317 8.378 340 HA VAL 547 HA VAL 547 -1.700 -2.918 7.589 341 HB VAL 547 HB VAL 547 -4.616 -2.126 7.544 342 HG11 VAL 547 HG11 VAL 547 -3.989 -0.199 6.241 343 HG12 VAL 547 HG12 VAL 547 -2.286 -0.661 6.310 344 HG13 VAL 547 HG13 VAL 547 -3.125 -0.162 7.779 345 HG21 VAL 547 HG21 VAL 547 -2.713 -3.038 5.402 346 HG22 VAL 547 HG22 VAL 547 -4.308 -2.362 5.088 347 HG23 VAL 547 HG23 VAL 547 -4.154 -3.870 5.985 348 H THR 548 HN THR 548 -0.520 -2.041 9.128 349 HA THR 548 HA THR 548 -1.796 -0.906 11.482 350 HB THR 548 HB THR 548 0.621 -0.647 12.232 351 HG1 THR 548 HG1 THR 548 2.110 -1.076 10.780 352 HG21 THR 548 HG21 THR 548 -0.793 -2.507 12.973 353 HG22 THR 548 HG22 THR 548 0.873 -3.033 12.734 354 HG23 THR 548 HG23 THR 548 -0.354 -3.419 11.529 355 H ASN 549 HN ASN 549 0.080 0.043 8.698 356 HA ASN 549 HA ASN 549 -0.537 2.854 9.259 357 HB2 ASN 549 HB2 ASN 549 2.220 1.743 8.720 358 HB3 ASN 549 HB3 ASN 549 1.818 3.410 8.354 359 HD21 ASN 549 HD21 ASN 549 3.418 4.071 9.777 360 HD22 ASN 549 HD22 ASN 549 3.186 4.048 11.487 361 H TYR 550 HN TYR 550 -0.622 4.166 7.456 362 HA TYR 550 HA TYR 550 -0.170 3.061 4.820 363 HB2 TYR 550 HB2 TYR 550 -2.484 3.580 4.086 364 HB3 TYR 550 HB3 TYR 550 -2.441 2.304 5.297 365 HD1 TYR 550 HD1 TYR 550 -4.188 5.085 4.302 366 HD2 TYR 550 HD2 TYR 550 -2.590 3.348 7.836 367 HE1 TYR 550 HE1 TYR 550 -5.805 6.343 5.665 368 HE2 TYR 550 HE2 TYR 550 -4.204 4.602 9.197 369 HH TYR 550 HH TYR 550 -6.880 6.227 7.814 370 H ILE 551 HN ILE 551 -0.139 4.733 3.188 371 HA ILE 551 HA ILE 551 -0.217 7.495 4.143 372 HB ILE 551 HB ILE 551 2.200 6.345 2.725 373 HG12 ILE 551 HG12 ILE 551 1.962 7.153 5.640 374 HG13 ILE 551 HG13 ILE 551 2.087 5.499 5.052 375 HG21 ILE 551 HG21 ILE 551 3.234 8.512 3.259 376 HG22 ILE 551 HG22 ILE 551 1.708 9.052 3.958 377 HG23 ILE 551 HG23 ILE 551 1.807 8.681 2.236 378 HD11 ILE 551 HD11 ILE 551 4.313 5.970 4.183 379 HD12 ILE 551 HD12 ILE 551 4.211 6.306 5.911 380 HD13 ILE 551 HD13 ILE 551 4.186 7.633 4.752 381 H LEU 552 HN LEU 552 -1.196 8.699 2.517 382 HA LEU 552 HA LEU 552 -1.281 7.418 -0.124 383 HB2 LEU 552 HB2 LEU 552 -3.252 9.277 1.189 384 HB3 LEU 552 HB1 LEU 552 -3.293 8.872 -0.514 385 HG LEU 552 HG LEU 552 -3.827 7.086 1.840 386 HD11 LEU 552 HD11 LEU 552 -5.617 8.531 1.022 387 HD12 LEU 552 HD12 LEU 552 -5.964 6.829 0.728 388 HD13 LEU 552 HD13 LEU 552 -5.417 7.858 -0.595 389 HD21 LEU 552 HD21 LEU 552 -3.512 6.284 -1.054 390 HD22 LEU 552 HD22 LEU 552 -4.106 5.253 0.250 391 HD23 LEU 552 HD23 LEU 552 -2.440 5.826 0.271 392 H MET 553 HN MET 553 -0.205 8.477 -1.710 393 HA MET 553 HA MET 553 0.482 11.289 -1.123 394 HB2 MET 553 HB2 MET 553 1.953 9.373 -2.945 395 HB3 MET 553 HB3 MET 553 2.432 11.021 -2.563 396 HG2 MET 553 HG2 MET 553 2.791 10.387 -0.240 397 HG3 MET 553 HG3 MET 553 2.289 8.738 -0.608 398 HE1 MET 553 HE1 MET 553 5.123 7.576 -3.056 399 HE2 MET 553 HE2 MET 553 3.630 8.384 -3.528 400 HE3 MET 553 HE3 MET 553 3.601 7.146 -2.273 401 H LYS 554 HN LYS 554 -1.648 11.697 -1.947 402 HA LYS 554 HA LYS 554 -2.621 11.315 -4.412 403 HB2 LYS 554 HB2 LYS 554 -2.800 14.064 -3.254 404 HB3 LYS 554 HB3 LYS 554 -4.034 13.122 -4.074 405 HG2 LYS 554 HG2 LYS 554 -2.971 12.641 -1.301 406 HG3 LYS 554 HG3 LYS 554 -4.538 13.325 -1.723 407 HD2 LYS 554 HD2 LYS 554 -5.091 11.182 -2.867 408 HD3 LYS 554 HD3 LYS 554 -3.571 10.509 -2.258 409 HE2 LYS 554 HE2 LYS 554 -5.463 9.896 -0.835 410 HE3 LYS 554 HE3 LYS 554 -4.297 10.899 0.027 411 HZ1 LYS 554 HZ1 LYS 554 -6.546 11.597 0.501 412 HZ2 LYS 554 HZ2 LYS 554 -6.869 11.822 -1.142 413 HZ3 LYS 554 HZ3 LYS 554 -5.744 12.814 -0.358 414 H SER 555 HN SER 555 0.139 13.355 -3.698 415 HA SER 555 HA SER 555 -0.161 15.016 -5.991 416 HB2 SER 555 HB2 SER 555 2.147 15.760 -5.383 417 HB3 SER 555 HB3 SER 555 1.001 15.868 -4.048 418 HG SER 555 HG SER 555 2.234 14.569 -2.974 419 H THR 556 HN THR 556 1.750 12.138 -5.179 420 HA THR 556 HA THR 556 2.870 12.097 -7.866 421 HB THR 556 HB THR 556 4.292 10.270 -6.998 422 HG1 THR 556 HG1 THR 556 3.995 10.330 -4.450 423 HG21 THR 556 HG21 THR 556 4.204 12.693 -5.200 424 HG22 THR 556 HG22 THR 556 5.033 12.595 -6.754 425 HG23 THR 556 HG23 THR 556 5.576 11.602 -5.399 426 H ASN 557 HN ASN 557 0.077 11.055 -6.605 427 HA ASN 557 HA ASN 557 -1.481 9.479 -7.122 428 HB2 ASN 557 HB2 ASN 557 0.256 9.235 -9.587 429 HB3 ASN 557 HB3 ASN 557 -1.245 8.343 -9.384 430 HD21 ASN 557 HD21 ASN 557 -0.738 11.641 -8.280 431 HD22 ASN 557 HD22 ASN 557 -1.832 12.381 -9.397 432 H GLN 558 HN GLN 558 0.522 8.751 -5.386 433 HA GLN 558 HA GLN 558 0.680 5.857 -5.782 434 HB2 GLN 558 HB2 GLN 558 3.038 7.657 -5.227 435 HB3 GLN 558 HB3 GLN 558 3.068 5.920 -4.951 436 HG2 GLN 558 HG2 GLN 558 2.874 5.447 -7.236 437 HG3 GLN 558 HG3 GLN 558 2.375 7.098 -7.610 438 HE21 GLN 558 HE21 GLN 558 3.878 8.640 -7.936 439 HE22 GLN 558 HE22 GLN 558 5.581 8.336 -7.959 440 H ALA 559 HN ALA 559 1.479 4.779 -3.666 441 HA ALA 559 HA ALA 559 0.971 6.326 -1.288 442 HB1 ALA 559 HB1 ALA 559 -1.284 5.942 -1.969 443 HB2 ALA 559 HB2 ALA 559 -0.930 4.879 -0.597 444 HB3 ALA 559 HB3 ALA 559 -0.958 4.225 -2.243 445 H PHE 560 HN PHE 560 1.160 5.008 0.658 446 HA PHE 560 HA PHE 560 2.779 2.565 0.250 447 HB2 PHE 560 HB2 PHE 560 3.084 4.680 2.378 448 HB3 PHE 560 HB3 PHE 560 3.860 3.108 2.464 449 HD1 PHE 560 HD1 PHE 560 5.803 2.631 1.194 450 HD2 PHE 560 HD2 PHE 560 3.716 6.282 0.619 451 HE1 PHE 560 HE1 PHE 560 7.679 3.480 -0.152 452 HE2 PHE 560 HE2 PHE 560 5.588 7.147 -0.723 453 HZ PHE 560 HZ PHE 560 7.631 5.766 -1.013 454 H LEU 561 HN LEU 561 2.572 0.884 1.705 455 HA LEU 561 HA LEU 561 0.277 0.962 3.536 456 HB2 LEU 561 HB2 LEU 561 -0.467 0.037 1.378 457 HB3 LEU 561 HB1 LEU 561 0.811 -1.155 1.444 458 HG LEU 561 HG LEU 561 -0.265 -2.103 3.494 459 HD11 LEU 561 HD11 LEU 561 -2.470 -0.189 2.738 460 HD12 LEU 561 HD12 LEU 561 -1.513 -0.159 4.220 461 HD13 LEU 561 HD13 LEU 561 -2.615 -1.500 3.909 462 HD21 LEU 561 HD21 LEU 561 -1.915 -3.327 2.275 463 HD22 LEU 561 HD22 LEU 561 -0.588 -2.979 1.165 464 HD23 LEU 561 HD23 LEU 561 -2.078 -2.037 1.085 465 H GLU 562 HN GLU 562 0.985 0.353 5.468 466 HA GLU 562 HA GLU 562 3.346 -1.378 5.651 467 HB2 GLU 562 HB2 GLU 562 3.235 0.763 6.974 468 HB3 GLU 562 HB3 GLU 562 1.939 0.037 7.914 469 HG2 GLU 562 HG2 GLU 562 3.475 -1.779 8.574 470 HG3 GLU 562 HG3 GLU 562 4.773 -0.960 7.708 471 H MET 563 HN MET 563 3.326 -3.354 6.409 472 HA MET 563 HA MET 563 0.766 -4.504 7.290 473 HB2 MET 563 HB2 MET 563 2.961 -5.869 5.712 474 HB3 MET 563 HB3 MET 563 1.380 -6.534 6.109 475 HG2 MET 563 HG2 MET 563 0.275 -5.039 4.659 476 HG3 MET 563 HG3 MET 563 1.714 -4.042 4.480 477 HE1 MET 563 HE1 MET 563 1.568 -3.950 1.896 478 HE2 MET 563 HE2 MET 563 0.058 -4.860 1.962 479 HE3 MET 563 HE3 MET 563 1.344 -5.366 0.868 480 H ALA 564 HN ALA 564 0.991 -6.341 8.760 481 HA ALA 564 HA ALA 564 2.783 -5.493 10.843 482 HB1 ALA 564 HB1 ALA 564 1.594 -7.071 12.258 483 HB2 ALA 564 HB2 ALA 564 0.783 -7.748 10.845 484 HB3 ALA 564 HB3 ALA 564 0.462 -6.084 11.334 485 H TYR 565 HN TYR 565 2.828 -7.945 8.456 486 HA TYR 565 HA TYR 565 5.306 -8.993 9.597 487 HB2 TYR 565 HB2 TYR 565 2.992 -10.716 8.680 488 HB3 TYR 565 HB3 TYR 565 4.602 -11.317 9.048 489 HD1 TYR 565 HD1 TYR 565 1.392 -10.508 10.374 490 HD2 TYR 565 HD2 TYR 565 5.486 -10.965 11.424 491 HE1 TYR 565 HE1 TYR 565 0.753 -10.756 12.733 492 HE2 TYR 565 HE2 TYR 565 4.860 -11.219 13.788 493 HH TYR 565 HH TYR 565 2.947 -10.539 15.264 494 H THR 566 HN THR 566 6.696 -9.944 8.074 495 HA THR 566 HA THR 566 6.676 -8.652 5.546 496 HB THR 566 HB THR 566 8.772 -9.235 6.748 497 HG1 THR 566 HG1 THR 566 9.783 -10.215 4.756 498 HG21 THR 566 HG21 THR 566 8.223 -11.449 7.558 499 HG22 THR 566 HG22 THR 566 9.660 -11.532 6.542 500 HG23 THR 566 HG23 THR 566 8.100 -12.055 5.908 501 H GLU 567 HN GLU 567 5.645 -11.780 6.663 502 HA GLU 567 HA GLU 567 5.400 -13.138 4.244 503 HB2 GLU 567 HB2 GLU 567 3.588 -14.433 5.376 504 HB3 GLU 567 HB3 GLU 567 5.090 -14.338 6.280 505 HG2 GLU 567 HG2 GLU 567 4.179 -12.732 7.774 506 HG3 GLU 567 HG3 GLU 567 2.726 -12.545 6.794 507 H ALA 568 HN ALA 568 3.460 -10.594 5.595 508 HA ALA 568 HA ALA 568 1.165 -11.074 3.946 509 HB1 ALA 568 HB1 ALA 568 0.969 -9.937 6.106 510 HB2 ALA 568 HB2 ALA 568 0.359 -8.937 4.790 511 HB3 ALA 568 HB3 ALA 568 1.943 -8.602 5.490 512 H ALA 569 HN ALA 569 3.973 -8.943 3.852 513 HA ALA 569 HA ALA 569 3.116 -7.323 1.729 514 HB1 ALA 569 HB1 ALA 569 5.444 -6.606 1.597 515 HB2 ALA 569 HB2 ALA 569 5.924 -7.955 2.626 516 HB3 ALA 569 HB3 ALA 569 4.895 -6.678 3.272 517 H GLN 570 HN GLN 570 5.163 -10.234 1.797 518 HA GLN 570 HA GLN 570 5.695 -10.131 -0.991 519 HB2 GLN 570 HB2 GLN 570 6.557 -12.437 -0.740 520 HB3 GLN 570 HB3 GLN 570 7.257 -11.299 0.398 521 HG2 GLN 570 HG2 GLN 570 5.880 -12.157 2.173 522 HG3 GLN 570 HG3 GLN 570 5.034 -13.217 1.043 523 HE21 GLN 570 HE21 GLN 570 6.625 -13.820 3.436 524 HE22 GLN 570 HE22 GLN 570 7.836 -14.937 2.924 525 H ALA 571 HN ALA 571 3.248 -11.689 0.971 526 HA ALA 571 HA ALA 571 2.187 -13.382 -1.010 527 HB1 ALA 571 HB1 ALA 571 0.774 -12.139 1.343 528 HB2 ALA 571 HB2 ALA 571 1.712 -13.631 1.382 529 HB3 ALA 571 HB3 ALA 571 0.234 -13.544 0.424 530 H MET 572 HN MET 572 1.361 -10.067 -0.033 531 HA MET 572 HA MET 572 -0.833 -9.832 -1.817 532 HB2 MET 572 HB2 MET 572 0.843 -7.592 -0.669 533 HB3 MET 572 HB3 MET 572 -0.772 -7.448 -1.354 534 HG2 MET 572 HG2 MET 572 -1.505 -9.072 0.460 535 HG3 MET 572 HG3 MET 572 0.060 -8.762 1.205 536 HE1 MET 572 HE1 MET 572 -1.857 -8.232 3.221 537 HE2 MET 572 HE2 MET 572 -1.666 -6.537 3.670 538 HE3 MET 572 HE3 MET 572 -0.246 -7.524 3.323 539 H VAL 573 HN VAL 573 2.597 -8.949 -2.076 540 HA VAL 573 HA VAL 573 2.467 -7.688 -4.570 541 HB VAL 573 HB VAL 573 4.723 -9.327 -3.393 542 HG11 VAL 573 HG11 VAL 573 6.177 -8.168 -4.995 543 HG12 VAL 573 HG12 VAL 573 4.761 -7.418 -5.731 544 HG13 VAL 573 HG13 VAL 573 4.975 -9.166 -5.813 545 HG21 VAL 573 HG21 VAL 573 4.197 -6.358 -3.445 546 HG22 VAL 573 HG22 VAL 573 5.684 -7.109 -2.867 547 HG23 VAL 573 HG23 VAL 573 4.160 -7.410 -2.031 548 H GLN 574 HN GLN 574 2.959 -11.112 -3.750 549 HA GLN 574 HA GLN 574 3.192 -12.079 -6.372 550 HB2 GLN 574 HB2 GLN 574 2.209 -13.366 -3.826 551 HB3 GLN 574 HB3 GLN 574 2.336 -14.254 -5.339 552 HG2 GLN 574 HG2 GLN 574 4.635 -12.832 -4.023 553 HG3 GLN 574 HG3 GLN 574 4.264 -14.540 -3.797 554 HE21 GLN 574 HE21 GLN 574 6.193 -15.214 -4.675 555 HE22 GLN 574 HE22 GLN 574 6.540 -15.104 -6.356 556 H TYR 575 HN TYR 575 0.379 -11.450 -4.366 557 HA TYR 575 HA TYR 575 -1.484 -12.736 -6.092 558 HB2 TYR 575 HB2 TYR 575 -2.063 -12.386 -3.768 559 HB3 TYR 575 HB3 TYR 575 -1.908 -10.642 -3.950 560 HD1 TYR 575 HD1 TYR 575 -3.671 -9.336 -4.923 561 HD2 TYR 575 HD2 TYR 575 -3.986 -13.576 -4.764 562 HE1 TYR 575 HE1 TYR 575 -6.052 -9.174 -5.502 563 HE2 TYR 575 HE2 TYR 575 -6.372 -13.421 -5.342 564 HH TYR 575 HH TYR 575 -8.194 -11.820 -5.241 565 H TYR 576 HN TYR 576 -0.724 -9.299 -5.547 566 HA TYR 576 HA TYR 576 -2.486 -8.463 -7.614 567 HB2 TYR 576 HB2 TYR 576 -0.421 -6.937 -6.034 568 HB3 TYR 576 HB3 TYR 576 -1.538 -6.191 -7.178 569 HD1 TYR 576 HD1 TYR 576 -4.034 -6.448 -6.764 570 HD2 TYR 576 HD2 TYR 576 -1.115 -7.430 -3.832 571 HE1 TYR 576 HE1 TYR 576 -5.767 -6.386 -5.024 572 HE2 TYR 576 HE2 TYR 576 -2.839 -7.361 -2.083 573 HH TYR 576 HH TYR 576 -4.997 -6.502 -1.650 574 H GLN 577 HN GLN 577 0.715 -9.584 -7.745 575 HA GLN 577 HA GLN 577 1.363 -8.272 -10.219 576 HB2 GLN 577 HB2 GLN 577 2.530 -10.679 -8.841 577 HB3 GLN 577 HB3 GLN 577 3.041 -10.201 -10.453 578 HG2 GLN 577 HG2 GLN 577 3.181 -8.433 -8.022 579 HG3 GLN 577 HG3 GLN 577 4.522 -9.389 -8.647 580 HE21 GLN 577 HE21 GLN 577 5.808 -7.630 -9.066 581 HE22 GLN 577 HE22 GLN 577 5.485 -6.508 -10.342 582 H GLU 578 HN GLU 578 -0.065 -11.374 -9.319 583 HA GLU 578 HA GLU 578 -0.456 -12.082 -12.105 584 HB2 GLU 578 HB2 GLU 578 -1.224 -13.473 -9.536 585 HB3 GLU 578 HB3 GLU 578 -1.560 -14.118 -11.136 586 HG2 GLU 578 HG2 GLU 578 0.807 -14.209 -11.629 587 HG3 GLU 578 HG3 GLU 578 1.181 -13.495 -10.062 588 H LYS 579 HN LYS 579 -2.448 -11.057 -9.345 589 HA LYS 579 HA LYS 579 -4.563 -10.376 -11.264 590 HB2 LYS 579 HB2 LYS 579 -4.933 -11.592 -8.516 591 HB3 LYS 579 HB3 LYS 579 -6.234 -10.970 -9.518 592 HG2 LYS 579 HG2 LYS 579 -5.708 -12.659 -11.222 593 HG3 LYS 579 HG3 LYS 579 -4.441 -13.299 -10.172 594 HD2 LYS 579 HD2 LYS 579 -6.109 -13.810 -8.464 595 HD3 LYS 579 HD3 LYS 579 -7.379 -13.150 -9.495 596 HE2 LYS 579 HE2 LYS 579 -6.863 -14.863 -11.187 597 HE3 LYS 579 HE3 LYS 579 -5.637 -15.534 -10.113 598 HZ1 LYS 579 HZ1 LYS 579 -7.354 -16.039 -8.505 599 HZ2 LYS 579 HZ2 LYS 579 -7.720 -16.758 -9.988 600 HZ3 LYS 579 HZ3 LYS 579 -8.537 -15.363 -9.505 601 HA PRO 580 HA PRO 580 -3.323 -6.623 -8.879 602 HB2 PRO 580 HB2 PRO 580 -3.723 -4.899 -10.934 603 HB3 PRO 580 HB1 PRO 580 -2.224 -5.809 -10.720 604 HG2 PRO 580 HG2 PRO 580 -4.539 -6.373 -12.525 605 HG3 PRO 580 HG3 PRO 580 -2.801 -6.487 -12.860 606 HD2 PRO 580 HD2 PRO 580 -4.324 -8.654 -12.292 607 HD3 PRO 580 HD3 PRO 580 -2.610 -8.545 -11.846 608 H ALA 581 HN ALA 581 -4.538 -4.700 -8.324 609 HA ALA 581 HA ALA 581 -7.408 -5.245 -8.296 610 HB1 ALA 581 HB1 ALA 581 -7.506 -3.551 -6.543 611 HB2 ALA 581 HB2 ALA 581 -5.796 -3.193 -6.782 612 HB3 ALA 581 HB3 ALA 581 -6.291 -4.772 -6.170 613 H ILE 582 HN ILE 582 -8.916 -3.913 -9.214 614 HA ILE 582 HA ILE 582 -7.848 -1.916 -11.072 615 HB ILE 582 HB ILE 582 -10.599 -3.166 -10.994 616 HG12 ILE 582 HG12 ILE 582 -8.272 -3.735 -12.845 617 HG13 ILE 582 HG13 ILE 582 -8.764 -4.771 -11.511 618 HG21 ILE 582 HG21 ILE 582 -9.275 -1.445 -13.090 619 HG22 ILE 582 HG22 ILE 582 -10.601 -0.963 -12.032 620 HG23 ILE 582 HG23 ILE 582 -10.852 -2.220 -13.244 621 HD11 ILE 582 HD11 ILE 582 -9.579 -5.633 -13.616 622 HD12 ILE 582 HD12 ILE 582 -10.403 -4.109 -13.945 623 HD13 ILE 582 HD13 ILE 582 -10.928 -5.122 -12.601 624 H ILE 583 HN ILE 583 -7.984 0.155 -10.585 625 HA ILE 583 HA ILE 583 -10.315 1.102 -9.050 626 HB ILE 583 HB ILE 583 -7.449 2.020 -8.818 627 HG12 ILE 583 HG12 ILE 583 -8.108 0.088 -7.422 628 HG13 ILE 583 HG13 ILE 583 -7.702 1.505 -6.460 629 HG21 ILE 583 HG21 ILE 583 -9.928 3.347 -7.748 630 HG22 ILE 583 HG22 ILE 583 -8.815 3.987 -8.958 631 HG23 ILE 583 HG23 ILE 583 -8.278 3.769 -7.292 632 HD11 ILE 583 HD11 ILE 583 -10.105 1.979 -6.208 633 HD12 ILE 583 HD12 ILE 583 -9.620 0.426 -5.525 634 HD13 ILE 583 HD13 ILE 583 -10.460 0.484 -7.076 635 H ASN 584 HN ASN 584 -11.552 2.182 -10.431 636 HA ASN 584 HA ASN 584 -12.259 3.509 -12.111 637 HB2 ASN 584 HB2 ASN 584 -9.825 5.064 -11.254 638 HB3 ASN 584 HB3 ASN 584 -10.951 5.651 -12.475 639 HD21 ASN 584 HD21 ASN 584 -10.450 5.034 -9.110 640 HD22 ASN 584 HD22 ASN 584 -11.884 5.805 -8.541 641 H GLY 585 HN GLY 585 -10.843 1.274 -12.868 642 HA2 GLY 585 HA2 GLY 585 -10.462 0.417 -14.969 643 HA3 GLY 585 HA3 GLY 585 -10.300 2.046 -15.595 644 H GLU 586 HN GLU 586 -8.300 1.872 -12.967 645 HA GLU 586 HA GLU 586 -6.037 1.082 -14.674 646 HB2 GLU 586 HB2 GLU 586 -6.122 3.112 -12.436 647 HB3 GLU 586 HB3 GLU 586 -4.662 2.624 -13.289 648 HG2 GLU 586 HG2 GLU 586 -5.687 3.418 -15.401 649 HG3 GLU 586 HG3 GLU 586 -7.060 4.009 -14.468 650 H LYS 587 HN LYS 587 -4.868 -0.585 -14.066 651 HA LYS 587 HA LYS 587 -5.464 -2.067 -11.713 652 HB2 LYS 587 HB2 LYS 587 -3.191 -2.372 -13.682 653 HB3 LYS 587 HB3 LYS 587 -3.652 -3.558 -12.470 654 HG2 LYS 587 HG2 LYS 587 -5.791 -3.887 -13.546 655 HG3 LYS 587 HG3 LYS 587 -5.421 -2.622 -14.717 656 HD2 LYS 587 HD2 LYS 587 -3.499 -3.966 -15.506 657 HD3 LYS 587 HD3 LYS 587 -3.970 -5.247 -14.387 658 HE2 LYS 587 HE2 LYS 587 -6.127 -5.443 -15.522 659 HE3 LYS 587 HE3 LYS 587 -5.664 -4.158 -16.635 660 HZ1 LYS 587 HZ1 LYS 587 -5.361 -6.354 -17.605 661 HZ2 LYS 587 HZ2 LYS 587 -4.288 -6.776 -16.372 662 HZ3 LYS 587 HZ3 LYS 587 -3.882 -5.552 -17.459 663 H LEU 588 HN LEU 588 -4.559 -2.020 -9.768 664 HA LEU 588 HA LEU 588 -2.475 -0.097 -9.211 665 HB2 LEU 588 HB2 LEU 588 -3.872 -1.998 -7.336 666 HB3 LEU 588 HB1 LEU 588 -2.874 -0.634 -6.877 667 HG LEU 588 HG LEU 588 -5.601 -0.570 -8.143 668 HD11 LEU 588 HD11 LEU 588 -4.452 0.224 -5.493 669 HD12 LEU 588 HD12 LEU 588 -5.816 -0.840 -5.839 670 HD13 LEU 588 HD13 LEU 588 -5.967 0.896 -6.084 671 HD21 LEU 588 HD21 LEU 588 -4.239 1.122 -9.224 672 HD22 LEU 588 HD22 LEU 588 -3.715 1.727 -7.653 673 HD23 LEU 588 HD23 LEU 588 -5.406 1.867 -8.133 674 H LEU 589 HN LEU 589 -0.453 -0.517 -8.499 675 HA LEU 589 HA LEU 589 0.416 -3.333 -8.630 676 HB2 LEU 589 HB2 LEU 589 1.389 -1.944 -10.399 677 HB3 LEU 589 HB1 LEU 589 2.024 -0.838 -9.195 678 HG LEU 589 HG LEU 589 3.451 -2.668 -8.316 679 HD11 LEU 589 HD11 LEU 589 2.144 -4.580 -8.966 680 HD12 LEU 589 HD12 LEU 589 3.733 -4.681 -9.726 681 HD13 LEU 589 HD13 LEU 589 2.333 -4.173 -10.671 682 HD21 LEU 589 HD21 LEU 589 4.347 -1.087 -9.939 683 HD22 LEU 589 HD22 LEU 589 3.763 -2.100 -11.260 684 HD23 LEU 589 HD23 LEU 589 5.026 -2.696 -10.184 685 H ILE 590 HN ILE 590 0.645 -4.103 -6.623 686 HA ILE 590 HA ILE 590 1.765 -2.371 -4.541 687 HB ILE 590 HB ILE 590 0.541 -5.131 -4.309 688 HG12 ILE 590 HG12 ILE 590 -0.527 -2.376 -3.673 689 HG13 ILE 590 HG13 ILE 590 -1.166 -3.521 -4.843 690 HG21 ILE 590 HG21 ILE 590 2.217 -4.783 -2.595 691 HG22 ILE 590 HG22 ILE 590 0.605 -4.731 -1.882 692 HG23 ILE 590 HG23 ILE 590 1.493 -3.233 -2.165 693 HD11 ILE 590 HD11 ILE 590 -1.218 -3.777 -1.841 694 HD12 ILE 590 HD12 ILE 590 -1.743 -5.033 -2.970 695 HD13 ILE 590 HD13 ILE 590 -2.587 -3.485 -2.921 696 H ARG 591 HN ARG 591 3.862 -2.488 -4.070 697 HA ARG 591 HA ARG 591 5.338 -4.963 -4.415 698 HB2 ARG 591 HB2 ARG 591 5.851 -2.487 -6.041 699 HB3 ARG 591 HB3 ARG 591 7.158 -3.597 -5.655 700 HG2 ARG 591 HG2 ARG 591 5.798 -5.420 -6.703 701 HG3 ARG 591 HG3 ARG 591 4.673 -4.172 -7.248 702 HD2 ARG 591 HD2 ARG 591 6.311 -4.784 -8.981 703 HD3 ARG 591 HD3 ARG 591 6.434 -3.090 -8.505 704 HE ARG 591 HE ARG 591 8.222 -4.528 -6.932 705 HH11 ARG 591 HH11 ARG 591 7.773 -3.822 -10.330 706 HH12 ARG 591 HH12 ARG 591 9.471 -3.828 -10.686 707 HH21 ARG 591 HH21 ARG 591 10.457 -4.554 -7.403 708 HH22 ARG 591 HH22 ARG 591 10.996 -4.256 -9.025 709 H MET 592 HN MET 592 7.633 -4.668 -3.632 710 HA MET 592 HA MET 592 7.515 -3.173 -1.142 711 HB2 MET 592 HB2 MET 592 9.681 -4.982 -2.228 712 HB3 MET 592 HB3 MET 592 9.648 -4.281 -0.616 713 HG2 MET 592 HG2 MET 592 7.480 -5.500 -0.251 714 HG3 MET 592 HG3 MET 592 7.799 -6.348 -1.765 715 HE1 MET 592 HE1 MET 592 7.301 -7.938 0.882 716 HE2 MET 592 HE2 MET 592 8.602 -9.129 0.834 717 HE3 MET 592 HE3 MET 592 7.729 -8.714 -0.642 718 H SER 593 HN SER 593 8.789 -1.400 -0.644 719 HA SER 593 HA SER 593 9.750 0.077 -2.912 720 HB2 SER 593 HB2 SER 593 8.564 1.222 -1.089 721 HB3 SER 593 HB3 SER 593 9.852 0.770 0.029 722 HG SER 593 HG SER 593 9.752 2.797 -1.804 723 H THR 594 HN THR 594 11.761 0.610 -3.415 724 HA THR 594 HA THR 594 13.873 -1.093 -2.368 725 HB THR 594 HB THR 594 15.173 -0.080 -4.305 726 HG1 THR 594 HG1 THR 594 14.024 1.137 -5.771 727 HG21 THR 594 HG21 THR 594 12.591 -1.527 -4.923 728 HG22 THR 594 HG22 THR 594 14.114 -2.283 -4.457 729 HG23 THR 594 HG23 THR 594 13.990 -1.425 -5.992 730 H ARG 595 HN ARG 595 12.695 1.994 -1.765 731 HA ARG 595 HA ARG 595 15.359 3.185 -1.440 732 HB2 ARG 595 HB2 ARG 595 12.654 4.516 -1.594 733 HB3 ARG 595 HB3 ARG 595 14.192 5.352 -1.425 734 HG2 ARG 595 HG2 ARG 595 14.914 4.470 -3.578 735 HG3 ARG 595 HG3 ARG 595 13.372 3.630 -3.753 736 HD2 ARG 595 HD2 ARG 595 12.215 5.809 -3.650 737 HD3 ARG 595 HD3 ARG 595 13.783 6.612 -3.561 738 HE ARG 595 HE ARG 595 13.775 4.970 -5.818 739 HH11 ARG 595 HH11 ARG 595 12.247 7.894 -4.647 740 HH12 ARG 595 HH12 ARG 595 11.937 8.525 -6.235 741 HH21 ARG 595 HH21 ARG 595 13.396 5.791 -7.906 742 HH22 ARG 595 HH22 ARG 595 12.585 7.314 -8.100 743 H TYR 596 HN TYR 596 12.544 2.255 0.399 744 HA TYR 596 HA TYR 596 13.831 3.400 2.789 745 HB2 TYR 596 HB2 TYR 596 10.888 3.449 2.115 746 HB3 TYR 596 HB3 TYR 596 11.550 3.886 3.688 747 HD1 TYR 596 HD1 TYR 596 11.040 4.935 0.247 748 HD2 TYR 596 HD2 TYR 596 12.946 5.914 3.920 749 HE1 TYR 596 HE1 TYR 596 11.411 7.224 -0.563 750 HE2 TYR 596 HE2 TYR 596 13.318 8.209 3.122 751 HH TYR 596 HH TYR 596 13.513 9.393 0.964 752 H LYS 597 HN LYS 597 13.634 2.326 4.714 753 HA LYS 597 HA LYS 597 12.628 -0.428 4.544 754 HB2 LYS 597 HB2 LYS 597 14.774 0.772 6.291 755 HB3 LYS 597 HB3 LYS 597 14.081 -0.816 6.588 756 HG2 LYS 597 HG2 LYS 597 16.013 -1.285 5.410 757 HG3 LYS 597 HG3 LYS 597 14.763 -1.340 4.169 758 HD2 LYS 597 HD2 LYS 597 15.339 1.044 3.624 759 HD3 LYS 597 HD3 LYS 597 16.721 0.884 4.711 760 HE2 LYS 597 HE2 LYS 597 17.431 -1.098 3.354 761 HE3 LYS 597 HE3 LYS 597 16.160 -0.680 2.206 762 HZ1 LYS 597 HZ1 LYS 597 17.242 1.507 1.947 763 HZ2 LYS 597 HZ2 LYS 597 18.228 0.226 1.458 764 HZ3 LYS 597 HZ3 LYS 597 18.506 0.987 2.942 765 H GLU 598 HN GLU 598 11.814 2.573 5.821 766 HA GLU 598 HA GLU 598 10.039 1.286 7.745 767 HB2 GLU 598 HB2 GLU 598 11.983 1.931 9.072 768 HB3 GLU 598 HB3 GLU 598 11.902 3.567 8.436 769 HG2 GLU 598 HG2 GLU 598 9.681 3.822 9.500 770 HG3 GLU 598 HG3 GLU 598 9.884 2.224 10.218 771 H LEU 599 HN LEU 599 8.201 2.414 8.196 772 HA LEU 599 HA LEU 599 7.683 4.812 6.555 773 HB2 LEU 599 HB2 LEU 599 5.720 2.735 7.532 774 HB3 LEU 599 HB1 LEU 599 5.298 4.173 6.620 775 HG LEU 599 HG LEU 599 6.976 1.866 5.636 776 HD11 LEU 599 HD11 LEU 599 4.206 2.810 4.940 777 HD12 LEU 599 HD12 LEU 599 4.658 1.278 5.692 778 HD13 LEU 599 HD13 LEU 599 5.115 1.611 4.022 779 HD21 LEU 599 HD21 LEU 599 6.956 3.023 3.489 780 HD22 LEU 599 HD22 LEU 599 7.783 3.970 4.724 781 HD23 LEU 599 HD23 LEU 599 6.143 4.398 4.233 782 H GLN 600 HN GLN 600 7.365 6.644 7.609 783 HA GLN 600 HA GLN 600 6.560 6.487 10.432 784 HB2 GLN 600 HB2 GLN 600 8.853 7.412 9.939 785 HB3 GLN 600 HB3 GLN 600 8.064 8.743 9.106 786 HG2 GLN 600 HG2 GLN 600 6.900 9.320 11.207 787 HG3 GLN 600 HG3 GLN 600 7.810 8.048 12.022 788 HE21 GLN 600 HE21 GLN 600 7.922 11.212 10.639 789 HE22 GLN 600 HE22 GLN 600 9.512 11.623 11.185 790 H LEU 601 HN LEU 601 4.589 7.211 10.877 791 HA LEU 601 HA LEU 601 3.006 8.544 8.909 792 HB2 LEU 601 HB2 LEU 601 2.523 7.945 11.822 793 HB3 LEU 601 HB1 LEU 601 1.347 8.751 10.807 794 HG LEU 601 HG LEU 601 2.404 5.957 10.368 795 HD11 LEU 601 HD11 LEU 601 0.171 5.244 11.044 796 HD12 LEU 601 HD12 LEU 601 -0.268 6.918 11.382 797 HD13 LEU 601 HD13 LEU 601 0.979 6.122 12.342 798 HD21 LEU 601 HD21 LEU 601 1.806 6.996 8.267 799 HD22 LEU 601 HD22 LEU 601 0.265 7.529 8.936 800 HD23 LEU 601 HD23 LEU 601 0.580 5.808 8.710 801 H LYS 602 HN LYS 602 3.804 10.535 8.380 802 HA LYS 602 HA LYS 602 4.199 12.551 10.412 803 HB2 LYS 602 HB2 LYS 602 4.094 12.709 7.397 804 HB3 LYS 602 HB3 LYS 602 4.390 14.095 8.437 805 HG2 LYS 602 HG2 LYS 602 6.381 12.877 9.343 806 HG3 LYS 602 HG3 LYS 602 6.119 11.656 8.096 807 HD2 LYS 602 HD2 LYS 602 6.366 13.367 6.367 808 HD3 LYS 602 HD3 LYS 602 6.616 14.593 7.610 809 HE2 LYS 602 HE2 LYS 602 8.600 13.305 8.388 810 HE3 LYS 602 HE3 LYS 602 8.380 12.222 7.014 811 HZ1 LYS 602 HZ1 LYS 602 10.008 13.850 6.451 812 HZ2 LYS 602 HZ2 LYS 602 8.997 15.122 6.915 813 HZ3 LYS 602 HZ3 LYS 602 8.614 14.193 5.556 814 H LYS 603 HN LYS 603 1.640 11.183 8.723 815 HA LYS 603 HA LYS 603 -0.165 13.308 9.663 816 HB2 LYS 603 HB2 LYS 603 -0.447 11.552 7.209 817 HB3 LYS 603 HB3 LYS 603 -1.708 12.612 7.821 818 HG2 LYS 603 HG2 LYS 603 0.999 13.509 6.852 819 HG3 LYS 603 HG3 LYS 603 -0.503 13.593 5.929 820 HD2 LYS 603 HD2 LYS 603 -1.458 15.099 7.592 821 HD3 LYS 603 HD3 LYS 603 0.014 14.988 8.556 822 HE2 LYS 603 HE2 LYS 603 0.007 17.044 7.281 823 HE3 LYS 603 HE3 LYS 603 1.286 15.977 6.705 824 HZ1 LYS 603 HZ1 LYS 603 -1.369 16.351 5.422 825 HZ2 LYS 603 HZ2 LYS 603 -0.140 15.331 4.859 826 HZ3 LYS 603 HZ3 LYS 603 0.092 17.007 4.875 827 HA PRO 604 HA PRO 604 -1.672 10.147 12.331 828 HB2 PRO 604 HB2 PRO 604 -4.213 11.126 12.726 829 HB3 PRO 604 HB1 PRO 604 -2.775 11.704 13.576 830 HG2 PRO 604 HG2 PRO 604 -4.171 12.874 11.205 831 HG3 PRO 604 HG3 PRO 604 -3.457 13.695 12.606 832 HD2 PRO 604 HD2 PRO 604 -2.206 13.601 10.227 833 HD3 PRO 604 HD3 PRO 604 -1.309 13.542 11.759 834 H GLY 605 HN GLY 605 -3.277 8.475 12.464 835 HA2 GLY 605 HA2 GLY 605 -4.538 7.924 9.861 836 HA3 GLY 605 HA3 GLY 605 -3.669 6.693 10.772 837 H LYS 606 HN LYS 606 -6.490 6.999 9.878 838 HA LYS 606 HA LYS 606 -8.036 7.153 12.319 839 HB2 LYS 606 HB2 LYS 606 -8.880 6.171 9.582 840 HB3 LYS 606 HB3 LYS 606 -9.942 6.652 10.898 841 HG2 LYS 606 HG2 LYS 606 -8.038 8.501 9.476 842 HG3 LYS 606 HG3 LYS 606 -9.754 8.337 9.097 843 HD2 LYS 606 HD2 LYS 606 -10.346 9.092 11.324 844 HD3 LYS 606 HD3 LYS 606 -8.643 9.166 11.776 845 HE2 LYS 606 HE2 LYS 606 -9.538 11.382 11.238 846 HE3 LYS 606 HE3 LYS 606 -8.256 10.906 10.131 847 HZ1 LYS 606 HZ1 LYS 606 -11.157 10.697 9.553 848 HZ2 LYS 606 HZ2 LYS 606 -9.896 10.344 8.484 849 HZ3 LYS 606 HZ3 LYS 606 -10.147 11.933 9.001 850 H ASN 607 HN ASN 607 -9.413 5.251 12.994 851 HA ASN 607 HA ASN 607 -7.977 2.923 13.378 852 HB2 ASN 607 HB2 ASN 607 -9.946 3.527 14.710 853 HB3 ASN 607 HB3 ASN 607 -10.983 3.275 13.310 854 HD21 ASN 607 HD21 ASN 607 -9.008 1.739 15.729 855 HD22 ASN 607 HD22 ASN 607 -9.638 0.143 15.510 856 H VAL 608 HN VAL 608 -7.378 1.383 12.072 857 HA VAL 608 HA VAL 608 -8.421 1.278 9.377 858 HB VAL 608 HB VAL 608 -6.107 -0.128 10.718 859 HG11 VAL 608 HG11 VAL 608 -6.869 -1.600 9.004 860 HG12 VAL 608 HG12 VAL 608 -5.422 -0.775 8.416 861 HG13 VAL 608 HG13 VAL 608 -7.018 -0.267 7.864 862 HG21 VAL 608 HG21 VAL 608 -4.749 1.327 9.267 863 HG22 VAL 608 HG22 VAL 608 -5.751 2.243 10.392 864 HG23 VAL 608 HG23 VAL 608 -6.224 2.111 8.697 865 H ALA 609 HN ALA 609 -8.782 -0.457 12.327 866 HA ALA 609 HA ALA 609 -9.570 -2.975 11.370 867 HB1 ALA 609 HB1 ALA 609 -10.687 -3.269 13.522 868 HB2 ALA 609 HB2 ALA 609 -10.534 -1.543 13.842 869 HB3 ALA 609 HB3 ALA 609 -9.091 -2.548 13.725 870 H ALA 610 HN ALA 610 -11.312 0.048 11.644 871 HA ALA 610 HA ALA 610 -13.916 -0.933 11.149 872 HB1 ALA 610 HB1 ALA 610 -14.468 1.374 10.566 873 HB2 ALA 610 HB2 ALA 610 -12.753 1.777 10.507 874 HB3 ALA 610 HB3 ALA 610 -13.496 1.308 12.036 875 H ILE 611 HN ILE 611 -11.189 -0.274 9.121 876 HA ILE 611 HA ILE 611 -12.600 -0.219 6.645 877 HB ILE 611 HB ILE 611 -9.671 -0.739 7.212 878 HG12 ILE 611 HG12 ILE 611 -11.120 1.757 6.305 879 HG13 ILE 611 HG13 ILE 611 -10.523 1.469 7.935 880 HG21 ILE 611 HG21 ILE 611 -9.283 -0.255 4.864 881 HG22 ILE 611 HG22 ILE 611 -11.014 -0.047 4.599 882 HG23 ILE 611 HG23 ILE 611 -10.372 -1.633 5.026 883 HD11 ILE 611 HD11 ILE 611 -8.873 1.740 5.438 884 HD12 ILE 611 HD12 ILE 611 -8.232 1.352 7.034 885 HD13 ILE 611 HD13 ILE 611 -9.014 2.909 6.750 886 H ILE 612 HN ILE 612 -11.101 -2.752 8.613 887 HA ILE 612 HA ILE 612 -11.418 -4.913 6.875 888 HB ILE 612 HB ILE 612 -11.907 -4.971 9.863 889 HG12 ILE 612 HG12 ILE 612 -9.324 -5.436 8.359 890 HG13 ILE 612 HG13 ILE 612 -9.702 -3.989 9.289 891 HG21 ILE 612 HG21 ILE 612 -12.685 -6.973 8.743 892 HG22 ILE 612 HG22 ILE 612 -11.232 -7.333 9.678 893 HG23 ILE 612 HG23 ILE 612 -11.132 -7.150 7.925 894 HD11 ILE 612 HD11 ILE 612 -9.826 -5.334 11.321 895 HD12 ILE 612 HD12 ILE 612 -8.256 -5.490 10.531 896 HD13 ILE 612 HD13 ILE 612 -9.451 -6.780 10.385 897 H GLN 613 HN GLN 613 -13.693 -3.424 9.139 898 HA GLN 613 HA GLN 613 -15.888 -5.125 8.641 899 HB2 GLN 613 HB2 GLN 613 -15.852 -2.213 9.463 900 HB3 GLN 613 HB3 GLN 613 -17.251 -3.273 9.562 901 HG2 GLN 613 HG2 GLN 613 -16.207 -4.625 11.217 902 HG3 GLN 613 HG3 GLN 613 -14.667 -3.799 10.998 903 HE21 GLN 613 HE21 GLN 613 -17.701 -2.095 11.040 904 HE22 GLN 613 HE22 GLN 613 -17.467 -1.313 12.554 905 H ASP 614 HN ASP 614 -14.644 -2.322 7.031 906 HA ASP 614 HA ASP 614 -16.836 -1.797 5.307 907 HB2 ASP 614 HB2 ASP 614 -15.032 -0.159 5.716 908 HB3 ASP 614 HB3 ASP 614 -13.903 -1.199 4.853 909 H ILE 615 HN ILE 615 -13.876 -3.698 4.905 910 HA ILE 615 HA ILE 615 -14.257 -4.475 2.237 911 HB ILE 615 HB ILE 615 -12.849 -5.955 4.468 912 HG12 ILE 615 HG12 ILE 615 -11.685 -4.153 2.339 913 HG13 ILE 615 HG13 ILE 615 -12.078 -3.607 3.967 914 HG21 ILE 615 HG21 ILE 615 -13.352 -7.413 2.569 915 HG22 ILE 615 HG22 ILE 615 -11.623 -7.094 2.688 916 HG23 ILE 615 HG23 ILE 615 -12.591 -6.258 1.475 917 HD11 ILE 615 HD11 ILE 615 -10.039 -5.655 3.167 918 HD12 ILE 615 HD12 ILE 615 -10.517 -5.337 4.833 919 HD13 ILE 615 HD13 ILE 615 -9.757 -4.066 3.878 920 H HIS 616 HN HIS 616 -15.122 -6.093 5.274 921 HA HIS 616 HA HIS 616 -16.257 -8.383 4.095 922 HB2 HIS 616 HB2 HIS 616 -16.611 -7.107 6.798 923 HB3 HIS 616 HB3 HIS 616 -17.493 -8.561 6.345 924 HD1 HIS 616 HD1 HIS 616 -16.375 -10.633 7.090 925 HD2 HIS 616 HD2 HIS 616 -13.639 -7.595 6.355 926 HE1 HIS 616 HE1 HIS 616 -14.127 -11.594 7.668 927 HE2 HIS 616 HE2 HIS 616 -12.478 -9.792 7.060 928 H SER 617 HN SER 617 -17.604 -5.218 4.783 929 HA SER 617 HA SER 617 -20.293 -5.960 4.192 930 HB2 SER 617 HB2 SER 617 -18.976 -3.236 4.277 931 HB3 SER 617 HB3 SER 617 -20.712 -3.513 4.138 932 HG SER 617 HG SER 617 -20.811 -4.008 6.192 933 H GLN 618 HN GLN 618 -17.510 -5.074 2.382 934 HA GLN 618 HA GLN 618 -17.035 -4.847 0.187 935 HB2 GLN 618 HB2 GLN 618 -19.837 -5.913 -0.220 936 HB3 GLN 618 HB3 GLN 618 -18.685 -5.629 -1.519 937 HG2 GLN 618 HG2 GLN 618 -18.261 -7.516 0.786 938 HG3 GLN 618 HG3 GLN 618 -18.799 -7.984 -0.826 939 HE21 GLN 618 HE21 GLN 618 -16.406 -8.747 0.684 940 HE22 GLN 618 HE22 GLN 618 -15.064 -8.323 -0.321 941 H ARG 619 HN ARG 619 -20.481 -3.986 0.262 942 HA ARG 619 HA ARG 619 -19.709 -1.210 -0.339 943 HB2 ARG 619 HB2 ARG 619 -22.004 -2.804 -1.488 944 HB3 ARG 619 HB3 ARG 619 -21.976 -1.048 -1.511 945 HG2 ARG 619 HG2 ARG 619 -21.228 -1.729 -3.626 946 HG3 ARG 619 HG3 ARG 619 -19.782 -1.227 -2.755 947 HD2 ARG 619 HD2 ARG 619 -19.314 -3.594 -2.235 948 HD3 ARG 619 HD3 ARG 619 -20.723 -4.056 -3.184 949 HE ARG 619 HE ARG 619 -18.875 -2.446 -4.662 950 HH11 ARG 619 HH11 ARG 619 -19.569 -5.717 -3.614 951 HH12 ARG 619 HH12 ARG 619 -18.680 -6.453 -4.911 952 HH21 ARG 619 HH21 ARG 619 -17.712 -3.416 -6.370 953 HH22 ARG 619 HH22 ARG 619 -17.630 -5.148 -6.477 954 H GLU 620 HN GLU 620 -20.875 0.371 0.707 955 HA GLU 620 HA GLU 620 -22.045 1.353 2.371 956 HB2 GLU 620 HB2 GLU 620 -23.942 0.228 1.144 957 HB3 GLU 620 HB3 GLU 620 -23.832 -1.079 2.313 958 HG2 GLU 620 HG2 GLU 620 -24.294 0.531 4.114 959 HG3 GLU 620 HG3 GLU 620 -24.482 1.798 2.902 960 H ARG 621 HN ARG 621 -20.137 0.976 3.667 961 HA ARG 621 HA ARG 621 -19.857 -1.199 5.426 962 HB2 ARG 621 HB2 ARG 621 -18.357 0.320 6.735 963 HB3 ARG 621 HB3 ARG 621 -17.953 0.201 5.029 964 HG2 ARG 621 HG2 ARG 621 -18.746 2.353 4.573 965 HG3 ARG 621 HG3 ARG 621 -19.640 2.438 6.091 966 HD2 ARG 621 HD2 ARG 621 -17.651 3.812 6.218 967 HD3 ARG 621 HD3 ARG 621 -17.521 2.449 7.324 968 HE ARG 621 HE ARG 621 -16.312 1.853 4.818 969 HH11 ARG 621 HH11 ARG 621 -15.824 3.566 7.836 970 HH12 ARG 621 HH12 ARG 621 -14.093 3.568 7.709 971 HH21 ARG 621 HH21 ARG 621 -14.019 1.863 4.645 972 HH22 ARG 621 HH22 ARG 621 -13.070 2.607 5.893
Contact the webmaster for help, if required. Sunday, May 26, 2024 2:35:46 AM GMT (wattos1)