NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16234 | 1zub | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 597 H HIS 597 162.329 1.755 -1.306 2 HA HIS 597 HA HIS 597 161.987 4.569 -2.032 3 1HB HIS 597 1HB HIS 597 163.242 2.998 0.213 4 2HB HIS 597 2HB HIS 597 163.597 4.704 -0.039 5 HD1 HIS 597 HD1 HIS 597 162.037 6.315 1.032 6 HD2 HIS 597 HD2 HIS 597 160.376 2.522 0.691 7 HE1 HIS 597 HE1 HIS 597 159.839 6.432 2.248 8 HE2 HIS 597 HE2 HIS 597 158.889 4.104 2.097 9 HA PRO 598 HA PRO 598 165.576 3.643 -4.663 10 1HB PRO 598 1HB PRO 598 165.563 6.027 -5.962 11 2HB PRO 598 2HB PRO 598 164.487 4.693 -6.393 12 1HG PRO 598 1HG PRO 598 163.924 7.116 -4.726 13 2HG PRO 598 2HG PRO 598 162.924 6.369 -5.987 14 1HD PRO 598 1HD PRO 598 162.468 5.969 -3.355 15 2HD PRO 598 2HD PRO 598 162.153 4.717 -4.573 16 H VAL 599 H VAL 599 167.624 4.872 -5.096 17 HA VAL 599 HA VAL 599 168.471 6.199 -2.627 18 HB VAL 599 HB VAL 599 169.916 4.640 -4.730 19 1HG1 VAL 599 1HG1 VAL 599 172.082 5.406 -3.717 20 2HG1 VAL 599 2HG1 VAL 599 171.183 6.715 -2.948 21 3HG1 VAL 599 3HG1 VAL 599 171.259 6.612 -4.707 22 1HG2 VAL 599 1HG2 VAL 599 170.927 3.606 -2.724 23 2HG2 VAL 599 2HG2 VAL 599 169.167 3.486 -2.753 24 3HG2 VAL 599 3HG2 VAL 599 169.954 4.680 -1.719 25 H THR 600 H THR 600 169.738 8.094 -2.672 26 HA THR 600 HA THR 600 169.474 9.682 -5.142 27 HB THR 600 HB THR 600 169.434 11.647 -3.380 28 HG1 THR 600 HG1 THR 600 168.273 10.988 -1.516 29 1HG2 THR 600 1HG2 THR 600 167.608 11.197 -4.937 30 2HG2 THR 600 2HG2 THR 600 167.015 11.638 -3.336 31 3HG2 THR 600 3HG2 THR 600 166.995 9.951 -3.851 32 H TRP 601 H TRP 601 171.085 11.320 -5.473 33 HA TRP 601 HA TRP 601 173.577 10.864 -3.971 34 1HB TRP 601 1HB TRP 601 173.344 11.340 -6.949 35 2HB TRP 601 2HB TRP 601 174.843 11.130 -6.050 36 HD1 TRP 601 HD1 TRP 601 171.701 9.115 -7.054 37 HE1 TRP 601 HE1 TRP 601 172.345 6.625 -7.144 38 HE3 TRP 601 HE3 TRP 601 176.501 9.454 -5.323 39 HZ2 TRP 601 HZ2 TRP 601 174.591 5.017 -6.560 40 HZ3 TRP 601 HZ3 TRP 601 177.829 7.393 -5.121 41 HH2 TRP 601 HH2 TRP 601 176.892 5.221 -5.726 42 H GLN 602 H GLN 602 174.233 12.652 -2.976 43 HA GLN 602 HA GLN 602 173.464 15.254 -4.118 44 1HB GLN 602 1HB GLN 602 173.743 16.136 -1.814 45 2HB GLN 602 2HB GLN 602 172.490 14.909 -1.934 46 1HG GLN 602 1HG GLN 602 174.874 13.554 -1.320 47 2HG GLN 602 2HG GLN 602 174.814 14.971 -0.273 48 1HE2 GLN 602 1HE2 GLN 602 172.486 12.600 -1.536 49 2HE2 GLN 602 2HE2 GLN 602 171.752 12.256 -0.010 50 HA PRO 603 HA PRO 603 177.587 16.541 -4.929 51 1HB PRO 603 1HB PRO 603 177.681 18.903 -3.417 52 2HB PRO 603 2HB PRO 603 177.158 18.759 -5.097 53 1HG PRO 603 1HG PRO 603 175.527 18.872 -2.605 54 2HG PRO 603 2HG PRO 603 175.181 19.544 -4.209 55 1HD PRO 603 1HD PRO 603 173.957 17.331 -3.349 56 2HD PRO 603 2HD PRO 603 174.458 17.498 -5.045 57 H SER 604 H SER 604 179.493 15.967 -4.118 58 HA SER 604 HA SER 604 179.749 14.934 -1.507 59 1HB SER 604 1HB SER 604 181.107 14.162 -3.430 60 2HB SER 604 2HB SER 604 181.952 15.710 -3.433 61 HG SER 604 HG SER 604 182.300 13.535 -1.823 62 H LYS 605 H LYS 605 181.997 15.703 -0.351 63 HA LYS 605 HA LYS 605 181.325 18.281 0.737 64 1HB LYS 605 1HB LYS 605 182.145 16.305 2.080 65 2HB LYS 605 2HB LYS 605 183.736 16.586 1.385 66 1HG LYS 605 1HG LYS 605 183.578 18.934 2.320 67 2HG LYS 605 2HG LYS 605 182.176 18.366 3.230 68 1HD LYS 605 1HD LYS 605 183.850 18.004 4.759 69 2HD LYS 605 2HD LYS 605 183.815 16.441 3.940 70 1HE LYS 605 1HE LYS 605 186.023 16.759 3.698 71 2HE LYS 605 2HE LYS 605 185.555 17.829 2.378 72 1HZ LYS 605 1HZ LYS 605 185.638 18.981 5.058 73 2HZ LYS 605 2HZ LYS 605 186.053 19.671 3.571 74 3HZ LYS 605 3HZ LYS 605 187.124 18.610 4.338 75 H GLU 606 H GLU 606 183.252 17.244 -1.834 76 HA GLU 606 HA GLU 606 185.036 19.563 -1.634 77 1HB GLU 606 1HB GLU 606 185.138 17.050 -3.293 78 2HB GLU 606 2HB GLU 606 186.186 18.426 -3.610 79 1HG GLU 606 1HG GLU 606 187.407 18.116 -1.699 80 2HG GLU 606 2HG GLU 606 186.088 17.304 -0.857 81 H GLY 607 H GLY 607 182.141 18.661 -3.072 82 1HA GLY 607 1HA GLY 607 180.800 19.810 -4.550 83 2HA GLY 607 2HA GLY 607 182.046 21.044 -4.643 84 H ASP 608 H ASP 608 183.428 18.077 -5.317 85 HA ASP 608 HA ASP 608 183.014 18.454 -8.210 86 1HB ASP 608 1HB ASP 608 185.536 17.713 -6.723 87 2HB ASP 608 2HB ASP 608 185.359 17.553 -8.467 88 H ARG 609 H ARG 609 182.105 16.505 -5.843 89 HA ARG 609 HA ARG 609 182.080 14.158 -7.589 90 1HB ARG 609 1HB ARG 609 183.547 14.381 -5.107 91 2HB ARG 609 2HB ARG 609 182.325 13.123 -4.991 92 1HG ARG 609 1HG ARG 609 183.930 11.836 -5.878 93 2HG ARG 609 2HG ARG 609 183.388 12.543 -7.401 94 1HD ARG 609 1HD ARG 609 185.144 14.425 -6.570 95 2HD ARG 609 2HD ARG 609 185.876 12.974 -5.887 96 HE ARG 609 HE ARG 609 185.133 12.705 -8.651 97 1HH1 ARG 609 1HH1 ARG 609 187.629 13.750 -6.447 98 2HH1 ARG 609 2HH1 ARG 609 188.904 13.559 -7.604 99 1HH2 ARG 609 1HH2 ARG 609 186.808 12.453 -10.173 100 2HH2 ARG 609 2HH2 ARG 609 188.438 12.823 -9.719 101 H LEU 610 H LEU 610 180.517 12.477 -6.736 102 HA LEU 610 HA LEU 610 178.229 13.801 -5.434 103 1HB LEU 610 1HB LEU 610 178.417 12.488 -7.996 104 2HB LEU 610 2HB LEU 610 177.250 11.664 -6.978 105 HG LEU 610 HG LEU 610 176.212 13.379 -8.407 106 1HD1 LEU 610 1HD1 LEU 610 176.087 13.415 -5.459 107 2HD1 LEU 610 2HD1 LEU 610 174.821 13.114 -6.649 108 3HD1 LEU 610 3HD1 LEU 610 175.323 14.767 -6.295 109 1HD2 LEU 610 1HD2 LEU 610 176.716 15.795 -7.345 110 2HD2 LEU 610 2HD2 LEU 610 177.556 15.160 -8.760 111 3HD2 LEU 610 3HD2 LEU 610 178.304 15.050 -7.167 112 H ILE 611 H ILE 611 177.904 12.973 -3.486 113 HA ILE 611 HA ILE 611 178.529 10.131 -3.035 114 HB ILE 611 HB ILE 611 178.191 12.206 -0.880 115 1HG1 ILE 611 1HG1 ILE 611 180.016 12.972 -2.267 116 2HG1 ILE 611 2HG1 ILE 611 180.685 12.272 -0.796 117 1HG2 ILE 611 1HG2 ILE 611 178.729 10.587 0.577 118 2HG2 ILE 611 2HG2 ILE 611 179.953 9.896 -0.489 119 3HG2 ILE 611 3HG2 ILE 611 178.251 9.493 -0.722 120 1HD1 ILE 611 1HD1 ILE 611 182.061 11.255 -2.248 121 2HD1 ILE 611 2HD1 ILE 611 180.928 11.400 -3.592 122 3HD1 ILE 611 3HD1 ILE 611 180.723 10.116 -2.399 123 H GLY 612 H GLY 612 176.744 8.949 -3.253 124 1HA GLY 612 1HA GLY 612 174.179 10.016 -2.322 125 2HA GLY 612 2HA GLY 612 174.400 8.609 -3.351 126 H ARG 613 H ARG 613 172.698 8.567 -1.172 127 HA ARG 613 HA ARG 613 174.160 6.947 0.804 128 1HB ARG 613 1HB ARG 613 172.161 7.332 2.269 129 2HB ARG 613 2HB ARG 613 173.066 8.788 1.880 130 1HG ARG 613 1HG ARG 613 171.342 9.720 0.802 131 2HG ARG 613 2HG ARG 613 170.885 8.206 0.019 132 1HD ARG 613 1HD ARG 613 169.394 7.678 1.625 133 2HD ARG 613 2HD ARG 613 170.413 8.306 2.919 134 HE ARG 613 HE ARG 613 169.262 10.362 1.281 135 1HH1 ARG 613 1HH1 ARG 613 168.717 8.261 4.014 136 2HH1 ARG 613 2HH1 ARG 613 167.536 9.301 4.737 137 1HH2 ARG 613 1HH2 ARG 613 167.708 11.731 2.231 138 2HH2 ARG 613 2HH2 ARG 613 166.963 11.270 3.725 139 H VAL 614 H VAL 614 173.856 4.803 0.741 140 HA VAL 614 HA VAL 614 171.478 3.817 -0.682 141 HB VAL 614 HB VAL 614 174.141 2.441 -0.322 142 1HG1 VAL 614 1HG1 VAL 614 172.821 0.628 -0.612 143 2HG1 VAL 614 2HG1 VAL 614 172.937 1.098 -2.308 144 3HG1 VAL 614 3HG1 VAL 614 171.522 1.557 -1.361 145 1HG2 VAL 614 1HG2 VAL 614 174.806 3.208 -2.336 146 2HG2 VAL 614 2HG2 VAL 614 173.674 4.513 -1.979 147 3HG2 VAL 614 3HG2 VAL 614 173.175 3.170 -3.008 148 H ILE 615 H ILE 615 170.020 2.735 0.442 149 HA ILE 615 HA ILE 615 170.789 1.655 3.073 150 HB ILE 615 HB ILE 615 167.949 2.165 2.231 151 1HG1 ILE 615 1HG1 ILE 615 169.083 4.294 1.929 152 2HG1 ILE 615 2HG1 ILE 615 168.098 4.358 3.387 153 1HG2 ILE 615 1HG2 ILE 615 168.059 0.851 4.165 154 2HG2 ILE 615 2HG2 ILE 615 167.772 2.488 4.757 155 3HG2 ILE 615 3HG2 ILE 615 169.392 1.793 4.835 156 1HD1 ILE 615 1HD1 ILE 615 171.080 4.070 3.197 157 2HD1 ILE 615 2HD1 ILE 615 170.172 3.852 4.693 158 3HD1 ILE 615 3HD1 ILE 615 170.158 5.413 3.872 159 H LEU 616 H LEU 616 170.929 -0.488 3.191 160 HA LEU 616 HA LEU 616 169.295 -2.089 1.336 161 1HB LEU 616 1HB LEU 616 172.159 -2.188 1.987 162 2HB LEU 616 2HB LEU 616 171.359 -3.749 2.000 163 HG LEU 616 HG LEU 616 171.366 -1.819 -0.322 164 1HD1 LEU 616 1HD1 LEU 616 173.443 -3.398 0.508 165 2HD1 LEU 616 2HD1 LEU 616 173.178 -2.832 -1.141 166 3HD1 LEU 616 3HD1 LEU 616 172.617 -4.432 -0.658 167 1HD2 LEU 616 1HD2 LEU 616 170.624 -4.631 -0.709 168 2HD2 LEU 616 2HD2 LEU 616 169.932 -3.164 -1.399 169 3HD2 LEU 616 3HD2 LEU 616 169.472 -3.676 0.224 170 H ASN 617 H ASN 617 168.370 -3.982 2.094 171 HA ASN 617 HA ASN 617 168.438 -4.349 5.018 172 1HB ASN 617 1HB ASN 617 166.129 -4.245 3.115 173 2HB ASN 617 2HB ASN 617 166.010 -5.252 4.555 174 1HD2 ASN 617 1HD2 ASN 617 165.098 -4.299 6.210 175 2HD2 ASN 617 2HD2 ASN 617 165.130 -2.608 6.565 176 H LYS 618 H LYS 618 169.004 -6.325 5.683 177 HA LYS 618 HA LYS 618 169.459 -8.398 3.724 178 1HB LYS 618 1HB LYS 618 169.821 -8.849 6.655 179 2HB LYS 618 2HB LYS 618 170.787 -9.434 5.309 180 1HG LYS 618 1HG LYS 618 171.590 -7.080 4.986 181 2HG LYS 618 2HG LYS 618 170.779 -6.673 6.498 182 1HD LYS 618 1HD LYS 618 173.130 -7.116 6.903 183 2HD LYS 618 2HD LYS 618 172.137 -8.361 7.662 184 1HE LYS 618 1HE LYS 618 172.727 -9.220 5.026 185 2HE LYS 618 2HE LYS 618 174.231 -8.658 5.752 186 1HZ LYS 618 1HZ LYS 618 172.549 -10.925 6.482 187 2HZ LYS 618 2HZ LYS 618 173.293 -10.091 7.752 188 3HZ LYS 618 3HZ LYS 618 174.234 -10.769 6.521 189 H ARG 619 H ARG 619 166.864 -8.111 3.597 190 HA ARG 619 HA ARG 619 165.448 -9.738 5.506 191 1HB ARG 619 1HB ARG 619 164.742 -8.114 3.127 192 2HB ARG 619 2HB ARG 619 163.665 -9.448 3.515 193 1HG ARG 619 1HG ARG 619 164.174 -8.113 5.935 194 2HG ARG 619 2HG ARG 619 163.862 -6.865 4.727 195 1HD ARG 619 1HD ARG 619 161.700 -7.473 4.464 196 2HD ARG 619 2HD ARG 619 162.047 -9.188 4.679 197 HE ARG 619 HE ARG 619 161.246 -7.317 6.700 198 1HH1 ARG 619 1HH1 ARG 619 162.948 -10.305 6.103 199 2HH1 ARG 619 2HH1 ARG 619 162.716 -10.904 7.711 200 1HH2 ARG 619 1HH2 ARG 619 160.940 -8.104 8.815 201 2HH2 ARG 619 2HH2 ARG 619 161.575 -9.655 9.251 202 H THR 620 H THR 620 167.107 -10.248 2.532 203 HA THR 620 HA THR 620 167.419 -12.063 1.202 204 HB THR 620 HB THR 620 167.658 -14.164 2.279 205 HG1 THR 620 HG1 THR 620 166.116 -13.245 4.463 206 1HG2 THR 620 1HG2 THR 620 168.067 -12.471 4.681 207 2HG2 THR 620 2HG2 THR 620 169.006 -12.127 3.229 208 3HG2 THR 620 3HG2 THR 620 169.099 -13.719 3.983 209 H THR 621 H THR 621 165.397 -11.150 0.152 210 HA THR 621 HA THR 621 163.652 -13.332 -0.460 211 HB THR 621 HB THR 621 162.495 -12.634 1.526 212 HG1 THR 621 HG1 THR 621 160.830 -12.974 0.304 213 1HG2 THR 621 1HG2 THR 621 163.392 -10.057 0.910 214 2HG2 THR 621 2HG2 THR 621 162.412 -10.564 2.286 215 3HG2 THR 621 3HG2 THR 621 161.632 -10.005 0.806 216 H MET 622 H MET 622 165.489 -11.542 -1.819 217 HA MET 622 HA MET 622 164.177 -9.545 -3.287 218 1HB MET 622 1HB MET 622 166.055 -9.654 -4.820 219 2HB MET 622 2HB MET 622 166.636 -9.790 -3.169 220 1HG MET 622 1HG MET 622 166.225 -12.409 -3.936 221 2HG MET 622 2HG MET 622 166.865 -11.640 -5.387 222 1HE MET 622 1HE MET 622 168.982 -11.188 -1.348 223 2HE MET 622 2HE MET 622 167.763 -12.454 -1.492 224 3HE MET 622 3HE MET 622 167.313 -10.767 -1.735 225 HA PRO 623 HA PRO 623 161.626 -11.386 -6.352 226 1HB PRO 623 1HB PRO 623 162.876 -10.451 -8.691 227 2HB PRO 623 2HB PRO 623 161.581 -9.646 -7.802 228 1HG PRO 623 1HG PRO 623 164.520 -9.174 -7.713 229 2HG PRO 623 2HG PRO 623 163.188 -8.014 -7.563 230 1HD PRO 623 1HD PRO 623 164.582 -8.801 -5.420 231 2HD PRO 623 2HD PRO 623 162.830 -8.529 -5.323 232 H LYS 624 H LYS 624 165.092 -11.767 -6.594 233 HA LYS 624 HA LYS 624 165.146 -13.769 -8.585 234 1HB LYS 624 1HB LYS 624 167.112 -13.380 -6.322 235 2HB LYS 624 2HB LYS 624 167.408 -14.215 -7.841 236 1HG LYS 624 1HG LYS 624 167.468 -12.239 -9.061 237 2HG LYS 624 2HG LYS 624 166.620 -11.329 -7.810 238 1HD LYS 624 1HD LYS 624 169.005 -10.752 -7.903 239 2HD LYS 624 2HD LYS 624 168.567 -11.477 -6.356 240 1HE LYS 624 1HE LYS 624 169.674 -13.123 -8.607 241 2HE LYS 624 2HE LYS 624 170.732 -12.258 -7.493 242 1HZ LYS 624 1HZ LYS 624 170.572 -14.100 -6.266 243 2HZ LYS 624 2HZ LYS 624 169.199 -14.661 -7.078 244 3HZ LYS 624 3HZ LYS 624 169.039 -13.535 -5.826 245 H GLU 625 H GLU 625 165.479 -14.080 -5.041 246 HA GLU 625 HA GLU 625 163.747 -16.288 -4.844 247 1HB GLU 625 1HB GLU 625 165.758 -17.875 -4.136 248 2HB GLU 625 2HB GLU 625 165.174 -17.800 -5.793 249 1HG GLU 625 1HG GLU 625 167.017 -16.652 -6.537 250 2HG GLU 625 2HG GLU 625 167.372 -15.975 -4.948 251 H SER 626 H SER 626 166.794 -16.386 -3.109 252 HA SER 626 HA SER 626 165.492 -15.126 -0.794 253 1HB SER 626 1HB SER 626 166.837 -17.784 -0.996 254 2HB SER 626 2HB SER 626 167.014 -16.871 0.502 255 HG SER 626 HG SER 626 164.497 -17.354 -0.695 256 H GLY 627 H GLY 627 168.430 -15.763 -2.586 257 1HA GLY 627 1HA GLY 627 170.349 -14.486 -2.719 258 2HA GLY 627 2HA GLY 627 169.640 -13.371 -1.562 259 H ALA 628 H ALA 628 170.942 -13.149 0.123 260 HA ALA 628 HA ALA 628 171.608 -15.349 1.781 261 1HB ALA 628 1HB ALA 628 173.743 -14.260 -0.013 262 2HB ALA 628 2HB ALA 628 173.321 -15.939 0.323 263 3HB ALA 628 3HB ALA 628 174.139 -14.974 1.550 264 H LEU 629 H LEU 629 172.907 -12.151 0.903 265 HA LEU 629 HA LEU 629 172.602 -11.381 3.725 266 1HB LEU 629 1HB LEU 629 174.553 -9.893 2.076 267 2HB LEU 629 2HB LEU 629 174.597 -10.292 3.773 268 HG LEU 629 HG LEU 629 176.398 -11.404 2.688 269 1HD1 LEU 629 1HD1 LEU 629 174.745 -12.647 4.337 270 2HD1 LEU 629 2HD1 LEU 629 176.180 -13.411 3.652 271 3HD1 LEU 629 3HD1 LEU 629 174.596 -13.712 2.940 272 1HD2 LEU 629 1HD2 LEU 629 175.148 -13.279 0.986 273 2HD2 LEU 629 2HD2 LEU 629 176.316 -12.026 0.577 274 3HD2 LEU 629 3HD2 LEU 629 174.593 -11.670 0.527 275 H LEU 630 H LEU 630 173.465 -9.193 1.077 276 HA LEU 630 HA LEU 630 170.785 -8.012 1.301 277 1HB LEU 630 1HB LEU 630 172.411 -5.858 0.688 278 2HB LEU 630 2HB LEU 630 171.641 -6.187 2.224 279 HG LEU 630 HG LEU 630 174.417 -7.111 1.516 280 1HD1 LEU 630 1HD1 LEU 630 173.456 -4.626 2.882 281 2HD1 LEU 630 2HD1 LEU 630 174.570 -4.775 1.524 282 3HD1 LEU 630 3HD1 LEU 630 175.075 -5.277 3.137 283 1HD2 LEU 630 1HD2 LEU 630 172.677 -7.866 3.570 284 2HD2 LEU 630 2HD2 LEU 630 173.865 -6.788 4.304 285 3HD2 LEU 630 3HD2 LEU 630 174.398 -8.222 3.426 286 H GLY 631 H GLY 631 173.714 -8.306 -0.738 287 1HA GLY 631 1HA GLY 631 172.602 -9.057 -3.048 288 2HA GLY 631 2HA GLY 631 172.191 -7.356 -3.035 289 H LEU 632 H LEU 632 175.224 -7.814 -1.572 290 HA LEU 632 HA LEU 632 176.760 -7.932 -3.991 291 1HB LEU 632 1HB LEU 632 177.670 -5.720 -3.978 292 2HB LEU 632 2HB LEU 632 175.926 -5.619 -4.064 293 HG LEU 632 HG LEU 632 176.701 -3.881 -2.626 294 1HD1 LEU 632 1HD1 LEU 632 175.824 -5.669 -0.480 295 2HD1 LEU 632 2HD1 LEU 632 174.781 -5.641 -1.900 296 3HD1 LEU 632 3HD1 LEU 632 175.145 -4.144 -1.047 297 1HD2 LEU 632 1HD2 LEU 632 178.391 -4.024 -1.174 298 2HD2 LEU 632 2HD2 LEU 632 178.779 -5.530 -2.006 299 3HD2 LEU 632 3HD2 LEU 632 177.828 -5.563 -0.521 300 H LYS 633 H LYS 633 178.978 -8.193 -3.663 301 HA LYS 633 HA LYS 633 179.716 -8.845 -0.898 302 1HB LYS 633 1HB LYS 633 180.041 -10.518 -2.763 303 2HB LYS 633 2HB LYS 633 181.247 -9.434 -3.441 304 1HG LYS 633 1HG LYS 633 182.788 -10.346 -2.147 305 2HG LYS 633 2HG LYS 633 181.899 -9.822 -0.717 306 1HD LYS 633 1HD LYS 633 181.031 -11.877 -0.345 307 2HD LYS 633 2HD LYS 633 180.851 -12.225 -2.066 308 1HE LYS 633 1HE LYS 633 182.558 -13.646 -1.716 309 2HE LYS 633 2HE LYS 633 183.549 -12.192 -1.829 310 1HZ LYS 633 1HZ LYS 633 183.364 -11.992 0.613 311 2HZ LYS 633 2HZ LYS 633 184.164 -13.399 0.121 312 3HZ LYS 633 3HZ LYS 633 182.561 -13.482 0.655 313 H VAL 634 H VAL 634 181.168 -7.646 0.214 314 HA VAL 634 HA VAL 634 182.522 -5.488 -1.269 315 HB VAL 634 HB VAL 634 181.194 -5.496 1.405 316 1HG1 VAL 634 1HG1 VAL 634 183.530 -3.745 0.649 317 2HG1 VAL 634 2HG1 VAL 634 183.412 -4.837 2.028 318 3HG1 VAL 634 3HG1 VAL 634 182.412 -3.383 1.965 319 1HG2 VAL 634 1HG2 VAL 634 181.027 -3.001 0.229 320 2HG2 VAL 634 2HG2 VAL 634 179.802 -4.271 0.176 321 3HG2 VAL 634 3HG2 VAL 634 180.975 -4.118 -1.136 322 H VAL 635 H VAL 635 184.564 -4.816 -0.569 323 HA VAL 635 HA VAL 635 186.055 -6.875 0.912 324 HB VAL 635 HB VAL 635 186.562 -5.572 -1.652 325 1HG1 VAL 635 1HG1 VAL 635 188.992 -5.417 -1.414 326 2HG1 VAL 635 2HG1 VAL 635 188.842 -5.736 0.313 327 3HG1 VAL 635 3HG1 VAL 635 188.157 -4.262 -0.375 328 1HG2 VAL 635 1HG2 VAL 635 186.407 -8.065 -0.812 329 2HG2 VAL 635 2HG2 VAL 635 188.145 -7.844 -0.600 330 3HG2 VAL 635 3HG2 VAL 635 187.412 -7.607 -2.188 331 H GLY 636 H GLY 636 187.990 -6.057 2.073 332 1HA GLY 636 1HA GLY 636 187.744 -3.238 2.877 333 2HA GLY 636 2HA GLY 636 187.720 -4.490 4.109 334 H GLY 637 H GLY 637 189.607 -2.306 3.790 335 1HA GLY 637 1HA GLY 637 191.863 -2.123 4.292 336 2HA GLY 637 2HA GLY 637 192.023 -3.858 4.060 337 H LYS 638 H LYS 638 190.690 -1.613 1.702 338 HA LYS 638 HA LYS 638 192.731 -2.464 -0.196 339 1HB LYS 638 1HB LYS 638 190.059 -1.140 -0.413 340 2HB LYS 638 2HB LYS 638 191.211 -0.952 -1.728 341 1HG LYS 638 1HG LYS 638 190.876 -3.711 -0.814 342 2HG LYS 638 2HG LYS 638 189.418 -2.983 -1.491 343 1HD LYS 638 1HD LYS 638 190.462 -2.563 -3.559 344 2HD LYS 638 2HD LYS 638 192.073 -2.834 -2.892 345 1HE LYS 638 1HE LYS 638 191.630 -5.186 -2.645 346 2HE LYS 638 2HE LYS 638 189.949 -4.960 -3.126 347 1HZ LYS 638 1HZ LYS 638 192.356 -5.048 -4.765 348 2HZ LYS 638 2HZ LYS 638 191.162 -3.948 -5.241 349 3HZ LYS 638 3HZ LYS 638 190.791 -5.592 -5.108 350 H MET 639 H MET 639 194.513 -1.311 0.660 351 HA MET 639 HA MET 639 194.580 1.425 1.203 352 1HB MET 639 1HB MET 639 196.369 -0.048 1.909 353 2HB MET 639 2HB MET 639 196.776 -0.413 0.238 354 1HG MET 639 1HG MET 639 198.327 1.174 1.325 355 2HG MET 639 2HG MET 639 197.563 1.811 -0.129 356 1HE MET 639 1HE MET 639 197.332 1.332 3.508 357 2HE MET 639 2HE MET 639 196.234 2.575 4.109 358 3HE MET 639 3HE MET 639 197.950 2.932 3.919 359 H THR 640 H THR 640 194.123 3.045 -0.116 360 HA THR 640 HA THR 640 194.378 2.737 -2.989 361 HB THR 640 HB THR 640 193.285 4.942 -3.096 362 HG1 THR 640 HG1 THR 640 193.242 4.835 -0.266 363 1HG2 THR 640 1HG2 THR 640 192.025 2.876 -1.339 364 2HG2 THR 640 2HG2 THR 640 191.683 3.261 -3.025 365 3HG2 THR 640 3HG2 THR 640 191.193 4.375 -1.749 366 H ASP 641 H ASP 641 195.060 5.076 -4.002 367 HA ASP 641 HA ASP 641 197.881 5.212 -3.520 368 1HB ASP 641 1HB ASP 641 195.975 6.367 -5.478 369 2HB ASP 641 2HB ASP 641 197.462 7.270 -5.203 370 H LEU 642 H LEU 642 195.261 6.677 -2.030 371 HA LEU 642 HA LEU 642 196.505 9.230 -1.521 372 1HB LEU 642 1HB LEU 642 194.041 7.948 -0.339 373 2HB LEU 642 2HB LEU 642 194.561 9.593 -0.025 374 HG LEU 642 HG LEU 642 192.816 9.703 -1.636 375 1HD1 LEU 642 1HD1 LEU 642 195.190 10.873 -2.025 376 2HD1 LEU 642 2HD1 LEU 642 193.813 11.104 -3.103 377 3HD1 LEU 642 3HD1 LEU 642 195.077 9.946 -3.521 378 1HD2 LEU 642 1HD2 LEU 642 194.264 8.004 -3.607 379 2HD2 LEU 642 2HD2 LEU 642 192.539 8.333 -3.451 380 3HD2 LEU 642 3HD2 LEU 642 193.329 7.223 -2.332 381 H GLY 643 H GLY 643 196.109 6.158 0.128 382 1HA GLY 643 1HA GLY 643 197.910 5.530 1.666 383 2HA GLY 643 2HA GLY 643 197.869 7.179 2.270 384 H ARG 644 H ARG 644 194.820 5.761 1.593 385 HA ARG 644 HA ARG 644 194.464 5.053 4.426 386 1HB ARG 644 1HB ARG 644 192.447 6.558 2.751 387 2HB ARG 644 2HB ARG 644 192.281 6.114 4.444 388 1HG ARG 644 1HG ARG 644 194.184 7.573 4.991 389 2HG ARG 644 2HG ARG 644 194.278 8.052 3.295 390 1HD ARG 644 1HD ARG 644 191.999 8.528 5.208 391 2HD ARG 644 2HD ARG 644 193.068 9.737 4.498 392 HE ARG 644 HE ARG 644 191.886 8.469 2.369 393 1HH1 ARG 644 1HH1 ARG 644 190.773 10.254 5.154 394 2HH1 ARG 644 2HH1 ARG 644 189.352 10.848 4.361 395 1HH2 ARG 644 1HH2 ARG 644 190.018 9.251 1.325 396 2HH2 ARG 644 2HH2 ARG 644 188.924 10.279 2.188 397 H LEU 645 H LEU 645 192.794 3.514 4.853 398 HA LEU 645 HA LEU 645 192.401 1.676 2.619 399 1HB LEU 645 1HB LEU 645 191.832 1.290 5.558 400 2HB LEU 645 2HB LEU 645 191.752 0.049 4.322 401 HG LEU 645 HG LEU 645 194.253 1.494 5.201 402 1HD1 LEU 645 1HD1 LEU 645 193.089 -0.267 6.719 403 2HD1 LEU 645 2HD1 LEU 645 194.826 -0.367 6.434 404 3HD1 LEU 645 3HD1 LEU 645 193.726 -1.424 5.549 405 1HD2 LEU 645 1HD2 LEU 645 194.692 -0.917 3.713 406 2HD2 LEU 645 2HD2 LEU 645 195.259 0.719 3.380 407 3HD2 LEU 645 3HD2 LEU 645 193.691 0.190 2.774 408 H GLY 646 H GLY 646 190.343 0.713 2.192 409 1HA GLY 646 1HA GLY 646 187.981 1.956 3.343 410 2HA GLY 646 2HA GLY 646 188.261 2.304 1.644 411 H ALA 647 H ALA 647 186.152 1.259 1.381 412 HA ALA 647 HA ALA 647 186.443 -1.669 1.236 413 1HB ALA 647 1HB ALA 647 184.848 -1.564 2.865 414 2HB ALA 647 2HB ALA 647 183.811 -1.525 1.439 415 3HB ALA 647 3HB ALA 647 184.200 -0.028 2.288 416 H PHE 648 H PHE 648 185.742 -2.681 -0.602 417 HA PHE 648 HA PHE 648 184.527 -1.019 -2.697 418 1HB PHE 648 1HB PHE 648 186.981 -2.757 -2.954 419 2HB PHE 648 2HB PHE 648 186.035 -2.243 -4.346 420 HD1 PHE 648 HD1 PHE 648 185.903 0.149 -4.934 421 HD2 PHE 648 HD2 PHE 648 188.461 -1.271 -1.845 422 HE1 PHE 648 HE1 PHE 648 187.167 2.258 -5.017 423 HE2 PHE 648 HE2 PHE 648 189.729 0.837 -1.921 424 HZ PHE 648 HZ PHE 648 189.082 2.605 -3.508 425 H ILE 649 H ILE 649 183.073 -2.063 -4.020 426 HA ILE 649 HA ILE 649 182.042 -4.561 -3.034 427 HB ILE 649 HB ILE 649 181.184 -2.834 -5.363 428 1HG1 ILE 649 1HG1 ILE 649 179.557 -3.302 -2.898 429 2HG1 ILE 649 2HG1 ILE 649 180.910 -2.176 -2.816 430 1HG2 ILE 649 1HG2 ILE 649 179.124 -4.205 -5.377 431 2HG2 ILE 649 2HG2 ILE 649 179.886 -5.307 -4.230 432 3HG2 ILE 649 3HG2 ILE 649 180.564 -5.109 -5.845 433 1HD1 ILE 649 1HD1 ILE 649 178.542 -1.302 -3.372 434 2HD1 ILE 649 2HD1 ILE 649 178.883 -1.916 -4.990 435 3HD1 ILE 649 3HD1 ILE 649 179.927 -0.687 -4.274 436 H THR 650 H THR 650 182.772 -6.475 -3.634 437 HA THR 650 HA THR 650 184.504 -6.806 -5.888 438 HB THR 650 HB THR 650 184.014 -9.342 -5.148 439 HG1 THR 650 HG1 THR 650 183.649 -7.956 -2.721 440 1HG2 THR 650 1HG2 THR 650 186.206 -8.357 -5.020 441 2HG2 THR 650 2HG2 THR 650 185.825 -9.169 -3.502 442 3HG2 THR 650 3HG2 THR 650 185.731 -7.411 -3.609 443 H LYS 651 H LYS 651 181.120 -7.468 -5.219 444 HA LYS 651 HA LYS 651 180.537 -7.684 -8.002 445 1HB LYS 651 1HB LYS 651 179.785 -9.979 -8.082 446 2HB LYS 651 2HB LYS 651 181.472 -9.934 -7.593 447 1HG LYS 651 1HG LYS 651 180.947 -10.463 -5.360 448 2HG LYS 651 2HG LYS 651 179.231 -10.132 -5.605 449 1HD LYS 651 1HD LYS 651 180.722 -12.329 -7.028 450 2HD LYS 651 2HD LYS 651 179.856 -12.567 -5.509 451 1HE LYS 651 1HE LYS 651 178.687 -11.666 -8.139 452 2HE LYS 651 2HE LYS 651 178.451 -13.230 -7.360 453 1HZ LYS 651 1HZ LYS 651 177.469 -10.589 -6.440 454 2HZ LYS 651 2HZ LYS 651 177.436 -11.973 -5.469 455 3HZ LYS 651 3HZ LYS 651 176.548 -11.929 -6.908 456 H VAL 652 H VAL 652 178.263 -8.009 -8.446 457 HA VAL 652 HA VAL 652 176.489 -7.553 -6.145 458 HB VAL 652 HB VAL 652 175.297 -6.117 -8.209 459 1HG1 VAL 652 1HG1 VAL 652 175.763 -4.154 -6.817 460 2HG1 VAL 652 2HG1 VAL 652 176.927 -5.104 -5.887 461 3HG1 VAL 652 3HG1 VAL 652 175.216 -5.535 -5.865 462 1HG2 VAL 652 1HG2 VAL 652 177.708 -6.261 -9.206 463 2HG2 VAL 652 2HG2 VAL 652 178.054 -4.997 -8.026 464 3HG2 VAL 652 3HG2 VAL 652 176.812 -4.744 -9.253 465 H LYS 653 H LYS 653 174.789 -8.893 -6.147 466 HA LYS 653 HA LYS 653 174.362 -10.656 -8.381 467 1HB LYS 653 1HB LYS 653 173.837 -10.735 -5.621 468 2HB LYS 653 2HB LYS 653 172.260 -10.762 -6.399 469 1HG LYS 653 1HG LYS 653 172.959 -12.682 -7.744 470 2HG LYS 653 2HG LYS 653 174.535 -12.657 -6.952 471 1HD LYS 653 1HD LYS 653 172.007 -12.864 -5.353 472 2HD LYS 653 2HD LYS 653 172.737 -14.294 -6.085 473 1HE LYS 653 1HE LYS 653 174.409 -12.446 -4.437 474 2HE LYS 653 2HE LYS 653 173.352 -13.613 -3.643 475 1HZ LYS 653 1HZ LYS 653 175.199 -14.495 -5.762 476 2HZ LYS 653 2HZ LYS 653 174.533 -15.386 -4.488 477 3HZ LYS 653 3HZ LYS 653 175.767 -14.270 -4.183 478 H LYS 654 H LYS 654 173.403 -9.832 -10.135 479 HA LYS 654 HA LYS 654 171.723 -7.630 -10.262 480 1HB LYS 654 1HB LYS 654 172.152 -9.982 -12.073 481 2HB LYS 654 2HB LYS 654 170.919 -8.788 -12.453 482 1HG LYS 654 1HG LYS 654 173.813 -8.118 -11.979 483 2HG LYS 654 2HG LYS 654 173.113 -8.417 -13.571 484 1HD LYS 654 1HD LYS 654 171.450 -6.541 -12.251 485 2HD LYS 654 2HD LYS 654 173.119 -6.009 -12.036 486 1HE LYS 654 1HE LYS 654 173.101 -6.727 -14.665 487 2HE LYS 654 2HE LYS 654 171.462 -6.111 -14.454 488 1HZ LYS 654 1HZ LYS 654 172.469 -4.159 -14.868 489 2HZ LYS 654 2HZ LYS 654 173.997 -4.698 -14.384 490 3HZ LYS 654 3HZ LYS 654 172.865 -4.217 -13.223 491 H GLY 655 H GLY 655 169.893 -7.397 -9.146 492 1HA GLY 655 1HA GLY 655 167.479 -7.961 -9.364 493 2HA GLY 655 2HA GLY 655 167.967 -9.639 -9.183 494 H SER 656 H SER 656 170.011 -8.779 -7.142 495 HA SER 656 HA SER 656 168.416 -9.209 -4.846 496 1HB SER 656 1HB SER 656 171.299 -8.375 -5.197 497 2HB SER 656 2HB SER 656 170.571 -8.649 -3.614 498 HG SER 656 HG SER 656 170.432 -10.602 -5.645 499 H LEU 657 H LEU 657 168.684 -7.705 -2.878 500 HA LEU 657 HA LEU 657 167.281 -5.356 -3.332 501 1HB LEU 657 1HB LEU 657 169.073 -6.073 -1.016 502 2HB LEU 657 2HB LEU 657 167.942 -4.733 -1.021 503 HG LEU 657 HG LEU 657 166.680 -7.277 -1.703 504 1HD1 LEU 657 1HD1 LEU 657 168.466 -7.149 0.608 505 2HD1 LEU 657 2HD1 LEU 657 167.743 -8.542 -0.196 506 3HD1 LEU 657 3HD1 LEU 657 166.817 -7.635 1.000 507 1HD2 LEU 657 1HD2 LEU 657 165.100 -5.755 -1.180 508 2HD2 LEU 657 2HD2 LEU 657 166.172 -4.851 -0.109 509 3HD2 LEU 657 3HD2 LEU 657 165.396 -6.328 0.462 510 H ALA 658 H ALA 658 170.733 -5.727 -2.617 511 HA ALA 658 HA ALA 658 171.540 -3.104 -2.668 512 1HB ALA 658 1HB ALA 658 172.840 -5.402 -2.367 513 2HB ALA 658 2HB ALA 658 173.668 -3.891 -2.743 514 3HB ALA 658 3HB ALA 658 173.315 -5.047 -4.027 515 H ASP 659 H ASP 659 170.645 -5.123 -5.360 516 HA ASP 659 HA ASP 659 171.720 -3.298 -7.327 517 1HB ASP 659 1HB ASP 659 171.422 -5.909 -7.470 518 2HB ASP 659 2HB ASP 659 169.808 -5.483 -8.031 519 H VAL 660 H VAL 660 168.492 -4.353 -6.318 520 HA VAL 660 HA VAL 660 167.154 -2.520 -8.050 521 HB VAL 660 HB VAL 660 165.158 -3.099 -6.436 522 1HG1 VAL 660 1HG1 VAL 660 165.800 -3.887 -8.848 523 2HG1 VAL 660 2HG1 VAL 660 164.531 -4.710 -7.941 524 3HG1 VAL 660 3HG1 VAL 660 166.147 -5.411 -8.032 525 1HG2 VAL 660 1HG2 VAL 660 165.385 -4.815 -4.983 526 2HG2 VAL 660 2HG2 VAL 660 167.068 -4.291 -4.964 527 3HG2 VAL 660 3HG2 VAL 660 166.579 -5.645 -5.982 528 H VAL 661 H VAL 661 167.743 -2.533 -4.526 529 HA VAL 661 HA VAL 661 166.628 0.161 -4.372 530 HB VAL 661 HB VAL 661 165.935 -1.446 -2.658 531 1HG1 VAL 661 1HG1 VAL 661 168.857 -1.742 -2.318 532 2HG1 VAL 661 2HG1 VAL 661 167.565 -2.929 -2.143 533 3HG1 VAL 661 3HG1 VAL 661 167.878 -1.768 -0.853 534 1HG2 VAL 661 1HG2 VAL 661 165.952 0.057 -0.915 535 2HG2 VAL 661 2HG2 VAL 661 166.345 1.106 -2.277 536 3HG2 VAL 661 3HG2 VAL 661 167.624 0.539 -1.204 537 H GLY 662 H GLY 662 169.705 -1.486 -4.221 538 1HA GLY 662 1HA GLY 662 171.087 0.856 -3.202 539 2HA GLY 662 2HA GLY 662 171.826 -0.670 -3.664 540 H HIS 663 H HIS 663 171.290 -1.066 -6.192 541 HA HIS 663 HA HIS 663 171.718 -0.481 -8.340 542 1HB HIS 663 1HB HIS 663 170.204 1.581 -7.428 543 2HB HIS 663 2HB HIS 663 171.664 2.437 -7.913 544 HD1 HIS 663 HD1 HIS 663 170.909 3.516 -10.040 545 HD2 HIS 663 HD2 HIS 663 170.024 -0.543 -9.918 546 HE1 HIS 663 HE1 HIS 663 170.059 2.944 -12.336 547 HE2 HIS 663 HE2 HIS 663 169.447 0.503 -12.212 548 H LEU 664 H LEU 664 173.930 -1.200 -7.225 549 HA LEU 664 HA LEU 664 175.872 0.795 -8.136 550 1HB LEU 664 1HB LEU 664 177.384 -0.237 -6.242 551 2HB LEU 664 2HB LEU 664 176.333 1.128 -5.933 552 HG LEU 664 HG LEU 664 176.324 -0.604 -4.149 553 1HD1 LEU 664 1HD1 LEU 664 173.578 -0.853 -4.780 554 2HD1 LEU 664 2HD1 LEU 664 174.122 0.721 -5.356 555 3HD1 LEU 664 3HD1 LEU 664 174.354 0.273 -3.667 556 1HD2 LEU 664 1HD2 LEU 664 175.726 -2.754 -4.477 557 2HD2 LEU 664 2HD2 LEU 664 176.322 -2.422 -6.105 558 3HD2 LEU 664 3HD2 LEU 664 174.591 -2.360 -5.769 559 H ARG 665 H ARG 665 178.139 -0.368 -8.255 560 HA ARG 665 HA ARG 665 177.775 -3.108 -9.227 561 1HB ARG 665 1HB ARG 665 179.049 -0.851 -10.775 562 2HB ARG 665 2HB ARG 665 179.194 -2.547 -11.216 563 1HG ARG 665 1HG ARG 665 176.842 -2.710 -11.620 564 2HG ARG 665 2HG ARG 665 176.573 -1.087 -10.981 565 1HD ARG 665 1HD ARG 665 178.452 -1.474 -13.266 566 2HD ARG 665 2HD ARG 665 176.716 -1.498 -13.565 567 HE ARG 665 HE ARG 665 178.315 0.782 -12.697 568 1HH1 ARG 665 1HH1 ARG 665 175.153 -0.518 -13.429 569 2HH1 ARG 665 2HH1 ARG 665 174.420 1.040 -13.598 570 1HH2 ARG 665 1HH2 ARG 665 177.344 2.825 -12.916 571 2HH2 ARG 665 2HH2 ARG 665 175.660 2.936 -13.307 572 H ALA 666 H ALA 666 179.775 -4.303 -9.481 573 HA ALA 666 HA ALA 666 181.468 -4.116 -7.289 574 1HB ALA 666 1HB ALA 666 182.619 -5.911 -8.167 575 2HB ALA 666 2HB ALA 666 182.432 -5.352 -9.829 576 3HB ALA 666 3HB ALA 666 181.058 -6.055 -8.976 577 H GLY 667 H GLY 667 183.052 -2.759 -6.796 578 1HA GLY 667 1HA GLY 667 185.256 -1.902 -7.638 579 2HA GLY 667 2HA GLY 667 184.340 -1.275 -9.003 580 H ASP 668 H ASP 668 182.083 -0.670 -7.066 581 HA ASP 668 HA ASP 668 182.722 2.046 -6.616 582 1HB ASP 668 1HB ASP 668 180.449 0.245 -5.966 583 2HB ASP 668 2HB ASP 668 180.598 1.711 -5.002 584 H GLU 669 H GLU 669 183.240 3.156 -4.743 585 HA GLU 669 HA GLU 669 184.381 1.486 -2.621 586 1HB GLU 669 1HB GLU 669 185.740 3.256 -3.899 587 2HB GLU 669 2HB GLU 669 184.840 4.439 -2.960 588 1HG GLU 669 1HG GLU 669 185.651 3.308 -0.893 589 2HG GLU 669 2HG GLU 669 186.675 2.299 -1.914 590 H VAL 670 H VAL 670 183.159 1.195 -0.882 591 HA VAL 670 HA VAL 670 181.154 3.195 -0.175 592 HB VAL 670 HB VAL 670 181.613 0.381 0.819 593 1HG1 VAL 670 1HG1 VAL 670 179.252 0.954 1.898 594 2HG1 VAL 670 2HG1 VAL 670 179.953 2.572 1.946 595 3HG1 VAL 670 3HG1 VAL 670 180.767 1.233 2.756 596 1HG2 VAL 670 1HG2 VAL 670 180.512 0.887 -1.446 597 2HG2 VAL 670 2HG2 VAL 670 179.145 1.466 -0.492 598 3HG2 VAL 670 3HG2 VAL 670 179.678 -0.208 -0.343 599 H LEU 671 H LEU 671 182.066 4.832 0.931 600 HA LEU 671 HA LEU 671 184.148 4.352 2.878 601 1HB LEU 671 1HB LEU 671 182.697 6.938 2.345 602 2HB LEU 671 2HB LEU 671 184.250 6.733 3.128 603 HG LEU 671 HG LEU 671 184.890 7.471 1.047 604 1HD1 LEU 671 1HD1 LEU 671 186.060 5.406 1.449 605 2HD1 LEU 671 2HD1 LEU 671 185.702 5.548 -0.272 606 3HD1 LEU 671 3HD1 LEU 671 184.736 4.477 0.744 607 1HD2 LEU 671 1HD2 LEU 671 182.389 7.147 0.274 608 2HD2 LEU 671 2HD2 LEU 671 183.070 5.731 -0.527 609 3HD2 LEU 671 3HD2 LEU 671 183.699 7.337 -0.892 610 H GLU 672 H GLU 672 180.904 3.922 3.001 611 HA GLU 672 HA GLU 672 180.877 4.273 5.901 612 1HB GLU 672 1HB GLU 672 178.987 5.550 3.958 613 2HB GLU 672 2HB GLU 672 178.460 5.160 5.589 614 1HG GLU 672 1HG GLU 672 179.572 6.874 6.488 615 2HG GLU 672 2HG GLU 672 180.997 6.599 5.487 616 H TRP 673 H TRP 673 180.071 2.537 6.880 617 HA TRP 673 HA TRP 673 178.139 0.849 5.435 618 1HB TRP 673 1HB TRP 673 180.497 -0.100 5.431 619 2HB TRP 673 2HB TRP 673 180.344 -0.260 7.178 620 HD1 TRP 673 HD1 TRP 673 178.382 -1.992 8.050 621 HE1 TRP 673 HE1 TRP 673 177.501 -4.148 6.955 622 HE3 TRP 673 HE3 TRP 673 180.021 -1.204 3.275 623 HZ2 TRP 673 HZ2 TRP 673 177.506 -5.355 4.399 624 HZ3 TRP 673 HZ3 TRP 673 179.538 -2.904 1.570 625 HH2 TRP 673 HH2 TRP 673 178.310 -4.945 2.124 626 H ASN 674 H ASN 674 176.304 0.851 6.567 627 HA ASN 674 HA ASN 674 174.826 0.789 8.296 628 1HB ASN 674 1HB ASN 674 176.355 -1.199 8.896 629 2HB ASN 674 2HB ASN 674 177.057 -0.124 10.101 630 1HD2 ASN 674 1HD2 ASN 674 173.982 -1.456 8.988 631 2HD2 ASN 674 2HD2 ASN 674 173.234 -1.497 10.544 632 H GLY 675 H GLY 675 176.127 3.217 7.745 633 1HA GLY 675 1HA GLY 675 176.214 5.336 8.626 634 2HA GLY 675 2HA GLY 675 175.470 4.687 10.077 635 H LYS 676 H LYS 676 178.381 3.120 9.188 636 HA LYS 676 HA LYS 676 179.785 4.595 11.313 637 1HB LYS 676 1HB LYS 676 180.214 2.563 12.144 638 2HB LYS 676 2HB LYS 676 179.485 1.792 10.747 639 1HG LYS 676 1HG LYS 676 181.487 0.995 10.218 640 2HG LYS 676 2HG LYS 676 182.037 2.641 9.889 641 1HD LYS 676 1HD LYS 676 183.509 1.507 11.480 642 2HD LYS 676 2HD LYS 676 182.700 2.880 12.235 643 1HE LYS 676 1HE LYS 676 181.352 1.542 13.539 644 2HE LYS 676 2HE LYS 676 181.471 0.171 12.438 645 1HZ LYS 676 1HZ LYS 676 184.002 0.396 13.213 646 2HZ LYS 676 2HZ LYS 676 182.873 -0.577 14.012 647 3HZ LYS 676 3HZ LYS 676 183.231 0.965 14.608 648 HA PRO 677 HA PRO 677 182.651 5.903 8.204 649 1HB PRO 677 1HB PRO 677 184.623 6.858 9.745 650 2HB PRO 677 2HB PRO 677 183.046 7.656 9.681 651 1HG PRO 677 1HG PRO 677 184.169 5.841 11.772 652 2HG PRO 677 2HG PRO 677 183.180 7.299 11.966 653 1HD PRO 677 1HD PRO 677 182.219 4.702 12.071 654 2HD PRO 677 2HD PRO 677 181.233 6.137 11.736 655 H LEU 678 H LEU 678 183.719 4.469 7.045 656 HA LEU 678 HA LEU 678 185.303 2.380 8.280 657 1HB LEU 678 1HB LEU 678 184.778 2.834 5.349 658 2HB LEU 678 2HB LEU 678 185.385 1.370 6.102 659 HG LEU 678 HG LEU 678 182.648 2.497 6.670 660 1HD1 LEU 678 1HD1 LEU 678 181.853 1.645 4.785 661 2HD1 LEU 678 2HD1 LEU 678 182.636 0.095 5.094 662 3HD1 LEU 678 3HD1 LEU 678 183.515 1.375 4.259 663 1HD2 LEU 678 1HD2 LEU 678 182.778 1.009 8.331 664 2HD2 LEU 678 2HD2 LEU 678 184.220 0.246 7.656 665 3HD2 LEU 678 3HD2 LEU 678 182.621 -0.219 7.075 666 HA PRO 679 HA PRO 679 188.412 4.977 5.239 667 1HB PRO 679 1HB PRO 679 187.657 7.400 6.840 668 2HB PRO 679 2HB PRO 679 188.323 7.301 5.204 669 1HG PRO 679 1HG PRO 679 185.724 7.712 5.568 670 2HG PRO 679 2HG PRO 679 186.298 6.642 4.276 671 1HD PRO 679 1HD PRO 679 184.985 5.967 6.848 672 2HD PRO 679 2HD PRO 679 184.967 5.088 5.306 673 H GLY 680 H GLY 680 190.128 4.046 6.148 674 1HA GLY 680 1HA GLY 680 192.059 4.468 7.566 675 2HA GLY 680 2HA GLY 680 190.947 4.981 8.826 676 H ALA 681 H ALA 681 189.280 2.517 7.787 677 HA ALA 681 HA ALA 681 190.485 0.673 9.698 678 1HB ALA 681 1HB ALA 681 188.150 -0.492 8.787 679 2HB ALA 681 2HB ALA 681 187.795 1.234 8.765 680 3HB ALA 681 3HB ALA 681 188.337 0.465 10.256 681 H THR 682 H THR 682 191.269 -1.312 9.195 682 HA THR 682 HA THR 682 191.822 -1.821 6.388 683 HB THR 682 HB THR 682 193.717 -2.078 7.783 684 HG1 THR 682 HG1 THR 682 193.773 -3.746 6.388 685 1HG2 THR 682 1HG2 THR 682 193.541 -3.990 9.591 686 2HG2 THR 682 2HG2 THR 682 191.864 -3.446 9.634 687 3HG2 THR 682 3HG2 THR 682 193.170 -2.307 9.961 688 H ASN 683 H ASN 683 191.924 -4.412 6.016 689 HA ASN 683 HA ASN 683 189.374 -5.249 5.470 690 1HB ASN 683 1HB ASN 683 190.316 -7.540 5.283 691 2HB ASN 683 2HB ASN 683 191.306 -6.324 4.480 692 1HD2 ASN 683 1HD2 ASN 683 191.088 -8.578 7.089 693 2HD2 ASN 683 2HD2 ASN 683 192.737 -8.473 7.595 694 H GLU 684 H GLU 684 191.300 -6.096 8.343 695 HA GLU 684 HA GLU 684 189.343 -7.758 9.508 696 1HB GLU 684 1HB GLU 684 190.645 -7.488 11.594 697 2HB GLU 684 2HB GLU 684 191.657 -7.887 10.212 698 1HG GLU 684 1HG GLU 684 192.175 -5.452 9.998 699 2HG GLU 684 2HG GLU 684 191.332 -5.204 11.526 700 H GLU 685 H GLU 685 189.868 -4.294 9.633 701 HA GLU 685 HA GLU 685 188.155 -3.758 11.818 702 1HB GLU 685 1HB GLU 685 189.189 -2.110 9.529 703 2HB GLU 685 2HB GLU 685 187.978 -1.455 10.623 704 1HG GLU 685 1HG GLU 685 190.415 -2.671 11.801 705 2HG GLU 685 2HG GLU 685 190.556 -1.096 11.023 706 H VAL 686 H VAL 686 187.585 -3.305 8.326 707 HA VAL 686 HA VAL 686 184.891 -2.773 8.372 708 HB VAL 686 HB VAL 686 186.443 -4.367 6.328 709 1HG1 VAL 686 1HG1 VAL 686 183.703 -3.128 6.097 710 2HG1 VAL 686 2HG1 VAL 686 184.080 -4.851 6.092 711 3HG1 VAL 686 3HG1 VAL 686 184.625 -3.825 4.764 712 1HG2 VAL 686 1HG2 VAL 686 186.878 -2.382 5.231 713 2HG2 VAL 686 2HG2 VAL 686 186.997 -1.896 6.922 714 3HG2 VAL 686 3HG2 VAL 686 185.535 -1.538 6.003 715 H TYR 687 H TYR 687 186.508 -5.909 8.457 716 HA TYR 687 HA TYR 687 184.405 -7.642 8.141 717 1HB TYR 687 1HB TYR 687 186.958 -7.743 9.660 718 2HB TYR 687 2HB TYR 687 185.758 -8.972 10.040 719 HD1 TYR 687 HD1 TYR 687 186.901 -10.871 9.206 720 HD2 TYR 687 HD2 TYR 687 186.310 -7.493 6.693 721 HE1 TYR 687 HE1 TYR 687 187.648 -12.190 7.271 722 HE2 TYR 687 HE2 TYR 687 187.057 -8.801 4.746 723 HH TYR 687 HH TYR 687 188.537 -11.888 5.068 724 H ASN 688 H ASN 688 185.494 -6.187 11.184 725 HA ASN 688 HA ASN 688 183.451 -7.293 12.789 726 1HB ASN 688 1HB ASN 688 185.359 -5.001 13.115 727 2HB ASN 688 2HB ASN 688 184.076 -5.250 14.294 728 1HD2 ASN 688 1HD2 ASN 688 186.715 -6.934 12.652 729 2HD2 ASN 688 2HD2 ASN 688 187.128 -7.954 13.984 730 H ILE 689 H ILE 689 183.742 -4.178 11.127 731 HA ILE 689 HA ILE 689 181.424 -2.968 12.093 732 HB ILE 689 HB ILE 689 182.936 -2.648 9.512 733 1HG1 ILE 689 1HG1 ILE 689 183.041 -0.266 10.740 734 2HG1 ILE 689 2HG1 ILE 689 182.796 -1.291 12.150 735 1HG2 ILE 689 1HG2 ILE 689 180.468 -1.140 10.361 736 2HG2 ILE 689 2HG2 ILE 689 180.669 -2.128 8.914 737 3HG2 ILE 689 3HG2 ILE 689 181.565 -0.619 9.083 738 1HD1 ILE 689 1HD1 ILE 689 184.904 -2.043 10.201 739 2HD1 ILE 689 2HD1 ILE 689 184.834 -2.289 11.945 740 3HD1 ILE 689 3HD1 ILE 689 185.197 -0.691 11.293 741 H ILE 690 H ILE 690 181.790 -4.525 8.898 742 HA ILE 690 HA ILE 690 179.083 -4.542 8.261 743 HB ILE 690 HB ILE 690 181.176 -6.516 7.343 744 1HG1 ILE 690 1HG1 ILE 690 180.418 -3.738 6.475 745 2HG1 ILE 690 2HG1 ILE 690 182.018 -4.399 6.779 746 1HG2 ILE 690 1HG2 ILE 690 179.695 -6.746 5.362 747 2HG2 ILE 690 2HG2 ILE 690 178.492 -5.758 6.191 748 3HG2 ILE 690 3HG2 ILE 690 178.956 -7.323 6.856 749 1HD1 ILE 690 1HD1 ILE 690 180.631 -4.141 4.321 750 2HD1 ILE 690 2HD1 ILE 690 180.893 -5.856 4.633 751 3HD1 ILE 690 3HD1 ILE 690 182.261 -4.744 4.615 752 H LEU 691 H LEU 691 181.017 -7.295 9.511 753 HA LEU 691 HA LEU 691 179.047 -9.175 9.756 754 1HB LEU 691 1HB LEU 691 181.459 -8.570 11.404 755 2HB LEU 691 2HB LEU 691 180.343 -9.800 11.959 756 HG LEU 691 HG LEU 691 180.850 -11.247 10.236 757 1HD1 LEU 691 1HD1 LEU 691 181.959 -8.934 8.652 758 2HD1 LEU 691 2HD1 LEU 691 180.391 -9.702 8.401 759 3HD1 LEU 691 3HD1 LEU 691 181.875 -10.613 8.118 760 1HD2 LEU 691 1HD2 LEU 691 183.311 -9.646 10.862 761 2HD2 LEU 691 2HD2 LEU 691 183.360 -11.125 9.903 762 3HD2 LEU 691 3HD2 LEU 691 182.787 -11.173 11.570 763 H GLU 692 H GLU 692 179.861 -6.716 12.168 764 HA GLU 692 HA GLU 692 177.915 -7.394 14.060 765 1HB GLU 692 1HB GLU 692 179.463 -4.912 13.445 766 2HB GLU 692 2HB GLU 692 178.128 -4.816 14.585 767 1HG GLU 692 1HG GLU 692 179.711 -7.070 15.267 768 2HG GLU 692 2HG GLU 692 180.782 -5.690 15.033 769 H SER 693 H SER 693 177.712 -5.586 11.092 770 HA SER 693 HA SER 693 175.020 -4.649 11.685 771 1HB SER 693 1HB SER 693 176.469 -4.292 9.068 772 2HB SER 693 2HB SER 693 175.195 -3.290 9.763 773 HG SER 693 HG SER 693 177.736 -2.858 9.940 774 H LYS 694 H LYS 694 176.503 -7.354 10.262 775 HA LYS 694 HA LYS 694 174.641 -7.965 8.230 776 1HB LYS 694 1HB LYS 694 176.759 -9.423 9.697 777 2HB LYS 694 2HB LYS 694 175.511 -10.413 8.956 778 1HG LYS 694 1HG LYS 694 176.082 -8.766 6.906 779 2HG LYS 694 2HG LYS 694 177.648 -8.818 7.718 780 1HD LYS 694 1HD LYS 694 176.270 -11.407 7.358 781 2HD LYS 694 2HD LYS 694 176.865 -10.627 5.891 782 1HE LYS 694 1HE LYS 694 178.681 -10.790 8.242 783 2HE LYS 694 2HE LYS 694 178.383 -12.259 7.314 784 1HZ LYS 694 1HZ LYS 694 179.751 -9.797 6.509 785 2HZ LYS 694 2HZ LYS 694 178.914 -10.667 5.323 786 3HZ LYS 694 3HZ LYS 694 180.159 -11.409 6.196 787 H SER 695 H SER 695 174.431 -8.120 11.650 788 HA SER 695 HA SER 695 172.310 -10.095 11.670 789 1HB SER 695 1HB SER 695 174.107 -9.713 13.507 790 2HB SER 695 2HB SER 695 173.069 -8.384 14.023 791 HG SER 695 HG SER 695 172.811 -10.861 14.701 792 H GLU 696 H GLU 696 172.650 -6.647 11.582 793 HA GLU 696 HA GLU 696 170.069 -5.989 12.574 794 1HB GLU 696 1HB GLU 696 171.881 -4.391 10.756 795 2HB GLU 696 2HB GLU 696 170.503 -3.762 11.648 796 1HG GLU 696 1HG GLU 696 172.475 -5.138 13.310 797 2HG GLU 696 2HG GLU 696 173.087 -3.701 12.494 798 HA PRO 697 HA PRO 697 167.663 -6.940 8.980 799 1HB PRO 697 1HB PRO 697 165.435 -5.535 9.524 800 2HB PRO 697 2HB PRO 697 165.886 -6.971 10.452 801 1HG PRO 697 1HG PRO 697 166.255 -4.081 11.137 802 2HG PRO 697 2HG PRO 697 165.710 -5.414 12.171 803 1HD PRO 697 1HD PRO 697 168.266 -4.454 12.177 804 2HD PRO 697 2HD PRO 697 167.850 -6.130 12.587 805 H GLN 698 H GLN 698 168.975 -3.894 9.580 806 HA GLN 698 HA GLN 698 168.400 -3.068 6.845 807 1HB GLN 698 1HB GLN 698 166.674 -2.017 8.331 808 2HB GLN 698 2HB GLN 698 167.977 -1.187 9.172 809 1HG GLN 698 1HG GLN 698 168.600 -0.331 6.797 810 2HG GLN 698 2HG GLN 698 166.935 -0.765 6.412 811 1HE2 GLN 698 1HE2 GLN 698 168.959 1.211 8.489 812 2HE2 GLN 698 2HE2 GLN 698 167.761 2.405 8.838 813 H VAL 699 H VAL 699 169.922 -1.625 5.970 814 HA VAL 699 HA VAL 699 172.223 -0.923 7.636 815 HB VAL 699 HB VAL 699 172.407 -2.511 5.072 816 1HG1 VAL 699 1HG1 VAL 699 174.099 -0.789 5.006 817 2HG1 VAL 699 2HG1 VAL 699 174.860 -2.343 5.359 818 3HG1 VAL 699 3HG1 VAL 699 174.601 -1.174 6.654 819 1HG2 VAL 699 1HG2 VAL 699 173.573 -3.161 7.767 820 2HG2 VAL 699 2HG2 VAL 699 173.404 -4.219 6.365 821 3HG2 VAL 699 3HG2 VAL 699 171.974 -3.704 7.260 822 H GLU 700 H GLU 700 173.511 0.760 6.804 823 HA GLU 700 HA GLU 700 172.382 2.217 4.511 824 1HB GLU 700 1HB GLU 700 171.654 3.320 6.572 825 2HB GLU 700 2HB GLU 700 173.319 3.406 7.131 826 1HG GLU 700 1HG GLU 700 173.346 4.624 4.631 827 2HG GLU 700 2HG GLU 700 171.861 5.187 5.396 828 H ILE 701 H ILE 701 173.909 2.031 2.983 829 HA ILE 701 HA ILE 701 176.708 2.465 3.787 830 HB ILE 701 HB ILE 701 177.114 1.271 1.471 831 1HG1 ILE 701 1HG1 ILE 701 174.419 0.209 2.349 832 2HG1 ILE 701 2HG1 ILE 701 174.794 1.014 0.829 833 1HG2 ILE 701 1HG2 ILE 701 176.470 -0.081 4.080 834 2HG2 ILE 701 2HG2 ILE 701 178.044 0.463 3.500 835 3HG2 ILE 701 3HG2 ILE 701 177.239 -0.898 2.719 836 1HD1 ILE 701 1HD1 ILE 701 175.963 -0.833 0.011 837 2HD1 ILE 701 2HD1 ILE 701 174.540 -1.517 0.801 838 3HD1 ILE 701 3HD1 ILE 701 176.109 -1.560 1.612 839 H ILE 702 H ILE 702 177.927 3.912 2.723 840 HA ILE 702 HA ILE 702 176.618 5.460 0.581 841 HB ILE 702 HB ILE 702 178.738 6.613 2.369 842 1HG1 ILE 702 1HG1 ILE 702 177.046 5.850 3.917 843 2HG1 ILE 702 2HG1 ILE 702 176.899 7.596 3.747 844 1HG2 ILE 702 1HG2 ILE 702 178.131 8.644 1.514 845 2HG2 ILE 702 2HG2 ILE 702 176.471 8.141 1.198 846 3HG2 ILE 702 3HG2 ILE 702 177.772 7.607 0.134 847 1HD1 ILE 702 1HD1 ILE 702 175.213 5.810 2.056 848 2HD1 ILE 702 2HD1 ILE 702 174.901 7.450 2.624 849 3HD1 ILE 702 3HD1 ILE 702 174.782 6.092 3.743 850 H VAL 703 H VAL 703 177.911 6.154 -1.156 851 HA VAL 703 HA VAL 703 180.616 5.004 -1.266 852 HB VAL 703 HB VAL 703 180.177 4.500 -3.704 853 1HG1 VAL 703 1HG1 VAL 703 180.308 2.782 -1.953 854 2HG1 VAL 703 2HG1 VAL 703 179.180 2.344 -3.236 855 3HG1 VAL 703 3HG1 VAL 703 178.570 2.935 -1.689 856 1HG2 VAL 703 1HG2 VAL 703 177.396 5.147 -2.797 857 2HG2 VAL 703 2HG2 VAL 703 177.674 3.994 -4.102 858 3HG2 VAL 703 3HG2 VAL 703 178.239 5.656 -4.260 859 H SER 704 H SER 704 181.665 5.794 -3.457 860 HA SER 704 HA SER 704 181.016 8.603 -3.958 861 1HB SER 704 1HB SER 704 183.685 7.584 -2.979 862 2HB SER 704 2HB SER 704 183.496 9.141 -3.784 863 HG SER 704 HG SER 704 183.357 9.431 -1.562 864 H ARG 705 H ARG 705 180.695 8.669 -6.081 865 HA ARG 705 HA ARG 705 182.359 6.997 -7.828 866 1HB ARG 705 1HB ARG 705 179.582 7.880 -7.885 867 2HB ARG 705 2HB ARG 705 180.403 8.167 -9.413 868 1HG ARG 705 1HG ARG 705 180.874 5.516 -8.256 869 2HG ARG 705 2HG ARG 705 179.200 5.842 -8.708 870 1HD ARG 705 1HD ARG 705 181.176 6.688 -10.700 871 2HD ARG 705 2HD ARG 705 181.145 4.950 -10.405 872 HE ARG 705 HE ARG 705 178.530 6.036 -10.783 873 1HH1 ARG 705 1HH1 ARG 705 181.383 4.924 -12.458 874 2HH1 ARG 705 2HH1 ARG 705 180.526 4.514 -13.905 875 1HH2 ARG 705 1HH2 ARG 705 177.401 5.497 -12.687 876 2HH2 ARG 705 2HH2 ARG 705 178.266 4.839 -14.036 877 H GLU 943 H GLU 943 189.461 -11.427 -5.227 878 HA GLU 943 HA GLU 943 190.837 -10.959 -2.671 879 1HB GLU 943 1HB GLU 943 190.794 -9.458 -5.169 880 2HB GLU 943 2HB GLU 943 190.160 -8.518 -3.825 881 1HG GLU 943 1HG GLU 943 192.280 -8.002 -3.405 882 2HG GLU 943 2HG GLU 943 192.413 -9.633 -2.747 883 H GLU 944 H GLU 944 189.220 -11.378 -1.266 884 HA GLU 944 HA GLU 944 186.684 -9.946 -1.683 885 1HB GLU 944 1HB GLU 944 185.515 -11.846 -0.577 886 2HB GLU 944 2HB GLU 944 186.217 -12.262 -2.134 887 1HG GLU 944 1HG GLU 944 188.089 -12.772 -0.011 888 2HG GLU 944 2HG GLU 944 186.556 -13.587 0.295 889 H GLY 945 H GLY 945 185.394 -10.048 0.530 890 1HA GLY 945 1HA GLY 945 187.201 -9.763 2.812 891 2HA GLY 945 2HA GLY 945 186.297 -8.338 2.323 892 H ILE 946 H ILE 946 183.844 -8.844 2.013 893 HA ILE 946 HA ILE 946 182.895 -10.731 4.041 894 HB ILE 946 HB ILE 946 181.224 -8.457 4.274 895 1HG1 ILE 946 1HG1 ILE 946 183.277 -7.239 3.377 896 2HG1 ILE 946 2HG1 ILE 946 182.633 -6.671 4.910 897 1HG2 ILE 946 1HG2 ILE 946 183.276 -9.397 6.268 898 2HG2 ILE 946 2HG2 ILE 946 181.772 -10.260 5.940 899 3HG2 ILE 946 3HG2 ILE 946 181.725 -8.619 6.585 900 1HD1 ILE 946 1HD1 ILE 946 184.525 -7.080 5.964 901 2HD1 ILE 946 2HD1 ILE 946 185.248 -7.315 4.371 902 3HD1 ILE 946 3HD1 ILE 946 184.643 -8.701 5.280 903 H TRP 947 H TRP 947 180.734 -11.371 3.782 904 HA TRP 947 HA TRP 947 179.776 -11.088 1.048 905 1HB TRP 947 1HB TRP 947 179.619 -13.133 3.080 906 2HB TRP 947 2HB TRP 947 178.013 -12.746 2.469 907 HD1 TRP 947 HD1 TRP 947 180.410 -15.236 1.860 908 HE1 TRP 947 HE1 TRP 947 180.451 -16.050 -0.582 909 HE3 TRP 947 HE3 TRP 947 177.887 -11.367 -0.336 910 HZ2 TRP 947 HZ2 TRP 947 179.536 -15.168 -3.104 911 HZ3 TRP 947 HZ3 TRP 947 177.510 -11.428 -2.768 912 HH2 TRP 947 HH2 TRP 947 178.320 -13.293 -4.120 913 H ALA 948 H ALA 948 178.250 -9.697 0.508 914 HA ALA 948 HA ALA 948 176.222 -8.959 2.482 915 1HB ALA 948 1HB ALA 948 176.960 -6.646 0.926 916 2HB ALA 948 2HB ALA 948 178.346 -7.270 1.819 917 3HB ALA 948 3HB ALA 948 176.867 -6.839 2.676 Start of MODEL 2 1 H HIS 597 H HIS 597 162.542 2.020 -1.445 2 HA HIS 597 HA HIS 597 162.014 3.962 -2.535 3 1HB HIS 597 1HB HIS 597 162.709 6.164 -1.676 4 2HB HIS 597 2HB HIS 597 161.682 5.320 -0.521 5 HD1 HIS 597 HD1 HIS 597 163.259 3.877 1.325 6 HD2 HIS 597 HD2 HIS 597 164.861 7.258 -0.484 7 HE1 HIS 597 HE1 HIS 597 165.155 4.599 2.810 8 HE2 HIS 597 HE2 HIS 597 166.050 6.700 1.744 9 HA PRO 598 HA PRO 598 165.803 3.744 -4.769 10 1HB PRO 598 1HB PRO 598 165.833 6.161 -6.061 11 2HB PRO 598 2HB PRO 598 164.835 4.790 -6.558 12 1HG PRO 598 1HG PRO 598 164.086 7.192 -4.937 13 2HG PRO 598 2HG PRO 598 163.182 6.391 -6.236 14 1HD PRO 598 1HD PRO 598 162.581 5.996 -3.647 15 2HD PRO 598 2HD PRO 598 162.444 4.692 -4.846 16 H VAL 599 H VAL 599 167.875 4.933 -5.185 17 HA VAL 599 HA VAL 599 168.724 6.239 -2.710 18 HB VAL 599 HB VAL 599 170.163 4.716 -4.844 19 1HG1 VAL 599 1HG1 VAL 599 171.509 6.688 -4.767 20 2HG1 VAL 599 2HG1 VAL 599 172.330 5.449 -3.817 21 3HG1 VAL 599 3HG1 VAL 599 171.439 6.736 -3.005 22 1HG2 VAL 599 1HG2 VAL 599 171.209 3.714 -2.782 23 2HG2 VAL 599 2HG2 VAL 599 169.474 3.455 -2.961 24 3HG2 VAL 599 3HG2 VAL 599 170.071 4.679 -1.841 25 H THR 600 H THR 600 170.002 8.128 -2.723 26 HA THR 600 HA THR 600 169.792 9.745 -5.178 27 HB THR 600 HB THR 600 169.639 11.689 -3.391 28 HG1 THR 600 HG1 THR 600 169.031 11.095 -1.475 29 1HG2 THR 600 1HG2 THR 600 167.136 11.462 -3.373 30 2HG2 THR 600 2HG2 THR 600 167.353 9.955 -4.263 31 3HG2 THR 600 3HG2 THR 600 167.899 11.478 -4.963 32 H TRP 601 H TRP 601 171.393 11.406 -5.421 33 HA TRP 601 HA TRP 601 173.797 11.025 -3.767 34 1HB TRP 601 1HB TRP 601 173.856 11.470 -6.754 35 2HB TRP 601 2HB TRP 601 175.214 11.084 -5.702 36 HD1 TRP 601 HD1 TRP 601 171.913 9.408 -6.874 37 HE1 TRP 601 HE1 TRP 601 172.335 6.876 -7.054 38 HE3 TRP 601 HE3 TRP 601 176.732 9.264 -5.164 39 HZ2 TRP 601 HZ2 TRP 601 174.432 5.058 -6.541 40 HZ3 TRP 601 HZ3 TRP 601 177.872 7.087 -5.041 41 HH2 TRP 601 HH2 TRP 601 176.743 5.028 -5.714 42 H GLN 602 H GLN 602 174.627 12.848 -2.972 43 HA GLN 602 HA GLN 602 173.800 15.398 -4.197 44 1HB GLN 602 1HB GLN 602 173.914 16.391 -1.957 45 2HB GLN 602 2HB GLN 602 172.766 15.061 -2.007 46 1HG GLN 602 1HG GLN 602 174.864 13.685 -1.189 47 2HG GLN 602 2HG GLN 602 175.375 15.270 -0.611 48 1HE2 GLN 602 1HE2 GLN 602 174.382 12.704 0.687 49 2HE2 GLN 602 2HE2 GLN 602 173.169 13.244 1.792 50 HA PRO 603 HA PRO 603 177.894 16.843 -4.907 51 1HB PRO 603 1HB PRO 603 177.388 18.894 -2.787 52 2HB PRO 603 2HB PRO 603 178.057 19.098 -4.409 53 1HG PRO 603 1HG PRO 603 175.527 19.745 -3.898 54 2HG PRO 603 2HG PRO 603 175.979 18.972 -5.429 55 1HD PRO 603 1HD PRO 603 174.564 17.832 -3.080 56 2HD PRO 603 2HD PRO 603 174.431 17.405 -4.797 57 H SER 604 H SER 604 179.657 15.847 -4.220 58 HA SER 604 HA SER 604 179.929 14.783 -1.606 59 1HB SER 604 1HB SER 604 180.961 13.695 -3.537 60 2HB SER 604 2HB SER 604 181.995 15.101 -3.797 61 HG SER 604 HG SER 604 183.267 13.838 -2.616 62 H LYS 605 H LYS 605 181.676 15.217 -0.109 63 HA LYS 605 HA LYS 605 181.848 17.938 0.601 64 1HB LYS 605 1HB LYS 605 183.688 17.064 2.174 65 2HB LYS 605 2HB LYS 605 182.057 16.446 2.387 66 1HG LYS 605 1HG LYS 605 183.648 14.845 0.550 67 2HG LYS 605 2HG LYS 605 184.340 14.943 2.170 68 1HD LYS 605 1HD LYS 605 181.475 14.200 1.592 69 2HD LYS 605 2HD LYS 605 182.772 13.029 1.837 70 1HE LYS 605 1HE LYS 605 182.312 15.150 3.885 71 2HE LYS 605 2HE LYS 605 181.229 13.759 3.829 72 1HZ LYS 605 1HZ LYS 605 183.111 12.298 4.102 73 2HZ LYS 605 2HZ LYS 605 183.092 13.431 5.357 74 3HZ LYS 605 3HZ LYS 605 184.184 13.604 4.078 75 H GLU 606 H GLU 606 183.710 16.002 -1.536 76 HA GLU 606 HA GLU 606 186.106 17.570 -1.434 77 1HB GLU 606 1HB GLU 606 185.077 15.426 -3.274 78 2HB GLU 606 2HB GLU 606 186.547 16.315 -3.650 79 1HG GLU 606 1HG GLU 606 187.565 15.565 -1.587 80 2HG GLU 606 2HG GLU 606 186.076 14.738 -1.129 81 H GLY 607 H GLY 607 183.102 17.699 -3.185 82 1HA GLY 607 1HA GLY 607 182.339 19.718 -4.183 83 2HA GLY 607 2HA GLY 607 184.011 20.192 -4.436 84 H ASP 608 H ASP 608 184.763 17.591 -5.568 85 HA ASP 608 HA ASP 608 183.454 17.905 -8.189 86 1HB ASP 608 1HB ASP 608 186.259 16.955 -7.575 87 2HB ASP 608 2HB ASP 608 185.554 17.086 -9.183 88 H ARG 609 H ARG 609 182.739 16.096 -5.870 89 HA ARG 609 HA ARG 609 182.603 13.643 -7.467 90 1HB ARG 609 1HB ARG 609 184.399 13.794 -5.457 91 2HB ARG 609 2HB ARG 609 182.989 13.249 -4.559 92 1HG ARG 609 1HG ARG 609 183.132 11.183 -5.378 93 2HG ARG 609 2HG ARG 609 183.395 11.760 -7.024 94 1HD ARG 609 1HD ARG 609 185.716 12.317 -5.452 95 2HD ARG 609 2HD ARG 609 185.273 10.624 -5.245 96 HE ARG 609 HE ARG 609 185.284 11.492 -7.985 97 1HH1 ARG 609 1HH1 ARG 609 187.227 10.229 -5.376 98 2HH1 ARG 609 2HH1 ARG 609 188.416 9.539 -6.429 99 1HH2 ARG 609 1HH2 ARG 609 186.847 10.586 -9.372 100 2HH2 ARG 609 2HH2 ARG 609 188.201 9.743 -8.698 101 H LEU 610 H LEU 610 181.001 12.068 -6.500 102 HA LEU 610 HA LEU 610 178.758 13.530 -5.268 103 1HB LEU 610 1HB LEU 610 178.896 11.958 -7.721 104 2HB LEU 610 2HB LEU 610 177.620 11.417 -6.648 105 HG LEU 610 HG LEU 610 176.788 13.038 -8.274 106 1HD1 LEU 610 1HD1 LEU 610 175.429 14.124 -6.809 107 2HD1 LEU 610 2HD1 LEU 610 176.757 14.580 -5.739 108 3HD1 LEU 610 3HD1 LEU 610 176.127 12.932 -5.712 109 1HD2 LEU 610 1HD2 LEU 610 177.563 15.471 -7.824 110 2HD2 LEU 610 2HD2 LEU 610 178.552 14.422 -8.839 111 3HD2 LEU 610 3HD2 LEU 610 179.004 14.704 -7.159 112 H ILE 611 H ILE 611 177.946 12.677 -3.449 113 HA ILE 611 HA ILE 611 178.703 9.907 -2.777 114 HB ILE 611 HB ILE 611 178.179 12.035 -0.718 115 1HG1 ILE 611 1HG1 ILE 611 180.053 12.846 -2.003 116 2HG1 ILE 611 2HG1 ILE 611 180.662 12.196 -0.485 117 1HG2 ILE 611 1HG2 ILE 611 180.006 9.828 -0.140 118 2HG2 ILE 611 2HG2 ILE 611 178.360 9.318 -0.516 119 3HG2 ILE 611 3HG2 ILE 611 178.652 10.460 0.798 120 1HD1 ILE 611 1HD1 ILE 611 182.163 11.237 -1.859 121 2HD1 ILE 611 2HD1 ILE 611 181.079 11.273 -3.250 122 3HD1 ILE 611 3HD1 ILE 611 180.897 10.021 -2.022 123 H GLY 612 H GLY 612 176.922 8.735 -3.141 124 1HA GLY 612 1HA GLY 612 174.306 9.802 -2.391 125 2HA GLY 612 2HA GLY 612 174.601 8.351 -3.336 126 H ARG 613 H ARG 613 172.765 8.404 -1.263 127 HA ARG 613 HA ARG 613 174.113 6.849 0.844 128 1HB ARG 613 1HB ARG 613 171.957 7.340 2.146 129 2HB ARG 613 2HB ARG 613 173.087 8.667 1.920 130 1HG ARG 613 1HG ARG 613 171.728 9.728 0.367 131 2HG ARG 613 2HG ARG 613 170.813 8.259 0.020 132 1HD ARG 613 1HD ARG 613 169.447 8.528 1.806 133 2HD ARG 613 2HD ARG 613 170.716 9.235 2.806 134 HE ARG 613 HE ARG 613 170.229 11.163 0.974 135 1HH1 ARG 613 1HH1 ARG 613 168.173 9.341 3.125 136 2HH1 ARG 613 2HH1 ARG 613 167.011 10.614 3.294 137 1HH2 ARG 613 1HH2 ARG 613 168.703 12.837 1.194 138 2HH2 ARG 613 2HH2 ARG 613 167.311 12.599 2.197 139 H VAL 614 H VAL 614 173.777 4.712 0.785 140 HA VAL 614 HA VAL 614 171.363 3.759 -0.599 141 HB VAL 614 HB VAL 614 173.991 2.312 -0.273 142 1HG1 VAL 614 1HG1 VAL 614 172.547 0.573 -0.542 143 2HG1 VAL 614 2HG1 VAL 614 172.786 0.994 -2.237 144 3HG1 VAL 614 3HG1 VAL 614 171.347 1.553 -1.384 145 1HG2 VAL 614 1HG2 VAL 614 173.535 4.418 -1.930 146 2HG2 VAL 614 2HG2 VAL 614 173.086 3.059 -2.960 147 3HG2 VAL 614 3HG2 VAL 614 174.696 3.128 -2.242 148 H ILE 615 H ILE 615 169.943 2.577 0.479 149 HA ILE 615 HA ILE 615 170.710 1.543 3.131 150 HB ILE 615 HB ILE 615 167.858 2.030 2.341 151 1HG1 ILE 615 1HG1 ILE 615 169.095 4.139 1.915 152 2HG1 ILE 615 2HG1 ILE 615 167.957 4.284 3.251 153 1HG2 ILE 615 1HG2 ILE 615 169.384 1.806 4.915 154 2HG2 ILE 615 2HG2 ILE 615 168.048 0.813 4.333 155 3HG2 ILE 615 3HG2 ILE 615 167.753 2.473 4.851 156 1HD1 ILE 615 1HD1 ILE 615 170.593 5.038 3.275 157 2HD1 ILE 615 2HD1 ILE 615 170.611 3.489 4.119 158 3HD1 ILE 615 3HD1 ILE 615 169.570 4.794 4.690 159 H LEU 616 H LEU 616 170.826 -0.607 3.254 160 HA LEU 616 HA LEU 616 169.176 -2.187 1.397 161 1HB LEU 616 1HB LEU 616 172.026 -2.377 2.138 162 2HB LEU 616 2HB LEU 616 171.167 -3.903 2.046 163 HG LEU 616 HG LEU 616 171.311 -1.874 -0.185 164 1HD1 LEU 616 1HD1 LEU 616 173.274 -3.683 0.670 165 2HD1 LEU 616 2HD1 LEU 616 173.220 -2.786 -0.847 166 3HD1 LEU 616 3HD1 LEU 616 172.530 -4.406 -0.758 167 1HD2 LEU 616 1HD2 LEU 616 169.350 -3.653 0.177 168 2HD2 LEU 616 2HD2 LEU 616 170.528 -4.681 -0.637 169 3HD2 LEU 616 3HD2 LEU 616 169.964 -3.204 -1.414 170 H ASN 617 H ASN 617 168.321 -4.163 2.138 171 HA ASN 617 HA ASN 617 168.266 -4.460 5.069 172 1HB ASN 617 1HB ASN 617 166.045 -4.229 3.118 173 2HB ASN 617 2HB ASN 617 165.846 -5.432 4.390 174 1HD2 ASN 617 1HD2 ASN 617 164.849 -4.724 6.117 175 2HD2 ASN 617 2HD2 ASN 617 164.848 -3.099 6.707 176 H LYS 618 H LYS 618 168.982 -6.380 5.720 177 HA LYS 618 HA LYS 618 168.784 -8.663 3.871 178 1HB LYS 618 1HB LYS 618 170.799 -9.554 4.990 179 2HB LYS 618 2HB LYS 618 171.099 -8.000 4.223 180 1HG LYS 618 1HG LYS 618 170.855 -6.897 6.406 181 2HG LYS 618 2HG LYS 618 170.625 -8.475 7.158 182 1HD LYS 618 1HD LYS 618 173.092 -7.426 5.782 183 2HD LYS 618 2HD LYS 618 172.901 -7.842 7.484 184 1HE LYS 618 1HE LYS 618 172.808 -9.760 5.158 185 2HE LYS 618 2HE LYS 618 174.137 -9.574 6.301 186 1HZ LYS 618 1HZ LYS 618 171.392 -10.510 6.943 187 2HZ LYS 618 2HZ LYS 618 172.623 -10.272 8.077 188 3HZ LYS 618 3HZ LYS 618 172.787 -11.465 6.889 189 H ARG 619 H ARG 619 166.702 -7.925 5.664 190 HA ARG 619 HA ARG 619 166.913 -9.854 7.854 191 1HB ARG 619 1HB ARG 619 164.920 -8.806 8.761 192 2HB ARG 619 2HB ARG 619 166.125 -7.582 8.385 193 1HG ARG 619 1HG ARG 619 164.223 -6.602 7.576 194 2HG ARG 619 2HG ARG 619 164.829 -7.408 6.128 195 1HD ARG 619 1HD ARG 619 162.871 -8.439 5.961 196 2HD ARG 619 2HD ARG 619 163.260 -9.312 7.441 197 HE ARG 619 HE ARG 619 162.149 -6.719 7.936 198 1HH1 ARG 619 1HH1 ARG 619 161.369 -10.042 7.208 199 2HH1 ARG 619 2HH1 ARG 619 159.788 -9.955 7.907 200 1HH2 ARG 619 1HH2 ARG 619 160.069 -6.602 8.856 201 2HH2 ARG 619 2HH2 ARG 619 159.048 -8.003 8.843 202 H THR 620 H THR 620 165.166 -9.260 4.878 203 HA THR 620 HA THR 620 163.724 -11.800 5.275 204 HB THR 620 HB THR 620 162.135 -10.024 5.090 205 HG1 THR 620 HG1 THR 620 160.978 -10.797 3.428 206 1HG2 THR 620 1HG2 THR 620 162.461 -9.011 2.490 207 2HG2 THR 620 2HG2 THR 620 164.015 -8.845 3.306 208 3HG2 THR 620 3HG2 THR 620 162.565 -8.142 4.022 209 H THR 621 H THR 621 163.443 -13.165 3.419 210 HA THR 621 HA THR 621 165.808 -13.497 1.915 211 HB THR 621 HB THR 621 163.279 -14.741 0.961 212 HG1 THR 621 HG1 THR 621 164.484 -15.492 3.412 213 1HG2 THR 621 1HG2 THR 621 165.326 -16.570 1.741 214 2HG2 THR 621 2HG2 THR 621 166.013 -15.302 0.726 215 3HG2 THR 621 3HG2 THR 621 164.653 -16.259 0.140 216 H MET 622 H MET 622 165.433 -13.949 -0.613 217 HA MET 622 HA MET 622 164.484 -11.387 -1.685 218 1HB MET 622 1HB MET 622 166.799 -13.046 -2.201 219 2HB MET 622 2HB MET 622 165.924 -12.706 -3.687 220 1HG MET 622 1HG MET 622 166.995 -10.775 -3.763 221 2HG MET 622 2HG MET 622 166.023 -10.265 -2.385 222 1HE MET 622 1HE MET 622 170.211 -12.163 -1.994 223 2HE MET 622 2HE MET 622 169.394 -11.897 -3.534 224 3HE MET 622 3HE MET 622 168.766 -13.090 -2.398 225 HA PRO 623 HA PRO 623 161.301 -13.414 -3.974 226 1HB PRO 623 1HB PRO 623 161.420 -11.483 -6.118 227 2HB PRO 623 2HB PRO 623 160.260 -11.584 -4.794 228 1HG PRO 623 1HG PRO 623 162.101 -9.573 -5.064 229 2HG PRO 623 2HG PRO 623 161.396 -10.073 -3.517 230 1HD PRO 623 1HD PRO 623 164.060 -10.758 -4.698 231 2HD PRO 623 2HD PRO 623 163.635 -10.375 -3.016 232 H LYS 624 H LYS 624 164.265 -12.585 -5.663 233 HA LYS 624 HA LYS 624 163.800 -13.853 -8.101 234 1HB LYS 624 1HB LYS 624 166.341 -14.114 -8.144 235 2HB LYS 624 2HB LYS 624 165.706 -12.482 -7.983 236 1HG LYS 624 1HG LYS 624 166.400 -12.277 -5.806 237 2HG LYS 624 2HG LYS 624 166.394 -14.019 -5.526 238 1HD LYS 624 1HD LYS 624 168.281 -13.866 -7.436 239 2HD LYS 624 2HD LYS 624 168.491 -12.286 -6.678 240 1HE LYS 624 1HE LYS 624 168.588 -13.496 -4.465 241 2HE LYS 624 2HE LYS 624 168.680 -14.997 -5.385 242 1HZ LYS 624 1HZ LYS 624 170.567 -12.947 -6.175 243 2HZ LYS 624 2HZ LYS 624 170.799 -14.608 -5.964 244 3HZ LYS 624 3HZ LYS 624 170.808 -13.577 -4.623 245 H GLU 625 H GLU 625 164.903 -15.173 -5.023 246 HA GLU 625 HA GLU 625 163.924 -17.731 -5.471 247 1HB GLU 625 1HB GLU 625 166.379 -18.782 -5.604 248 2HB GLU 625 2HB GLU 625 165.419 -18.435 -7.034 249 1HG GLU 625 1HG GLU 625 166.773 -16.765 -7.707 250 2HG GLU 625 2HG GLU 625 167.117 -16.232 -6.062 251 H SER 626 H SER 626 167.187 -17.058 -4.255 252 HA SER 626 HA SER 626 166.186 -17.614 -1.540 253 1HB SER 626 1HB SER 626 168.976 -18.130 -2.599 254 2HB SER 626 2HB SER 626 168.347 -18.585 -1.016 255 HG SER 626 HG SER 626 168.232 -20.370 -2.343 256 H GLY 627 H GLY 627 167.810 -16.729 0.165 257 1HA GLY 627 1HA GLY 627 168.737 -14.054 -0.661 258 2HA GLY 627 2HA GLY 627 167.724 -14.247 0.761 259 H ALA 628 H ALA 628 170.802 -13.771 -0.177 260 HA ALA 628 HA ALA 628 172.009 -15.435 1.899 261 1HB ALA 628 1HB ALA 628 173.333 -13.712 -0.189 262 2HB ALA 628 2HB ALA 628 173.064 -15.450 -0.303 263 3HB ALA 628 3HB ALA 628 174.150 -14.806 0.927 264 H LEU 629 H LEU 629 172.965 -12.184 0.866 265 HA LEU 629 HA LEU 629 172.755 -11.343 3.674 266 1HB LEU 629 1HB LEU 629 174.674 -9.893 1.970 267 2HB LEU 629 2HB LEU 629 174.792 -10.364 3.645 268 HG LEU 629 HG LEU 629 176.501 -11.502 2.469 269 1HD1 LEU 629 1HD1 LEU 629 174.688 -12.815 3.987 270 2HD1 LEU 629 2HD1 LEU 629 176.215 -13.487 3.408 271 3HD1 LEU 629 3HD1 LEU 629 174.721 -13.805 2.527 272 1HD2 LEU 629 1HD2 LEU 629 174.604 -11.582 0.343 273 2HD2 LEU 629 2HD2 LEU 629 175.206 -13.207 0.658 274 3HD2 LEU 629 3HD2 LEU 629 176.335 -11.903 0.307 275 H LEU 630 H LEU 630 173.602 -9.103 1.080 276 HA LEU 630 HA LEU 630 170.915 -7.937 1.345 277 1HB LEU 630 1HB LEU 630 172.586 -5.834 0.591 278 2HB LEU 630 2HB LEU 630 171.803 -6.067 2.138 279 HG LEU 630 HG LEU 630 174.560 -7.078 1.472 280 1HD1 LEU 630 1HD1 LEU 630 174.818 -4.773 1.445 281 2HD1 LEU 630 2HD1 LEU 630 175.192 -5.212 3.112 282 3HD1 LEU 630 3HD1 LEU 630 173.615 -4.530 2.712 283 1HD2 LEU 630 1HD2 LEU 630 174.542 -6.976 4.102 284 2HD2 LEU 630 2HD2 LEU 630 173.960 -8.389 3.224 285 3HD2 LEU 630 3HD2 LEU 630 172.810 -7.210 3.856 286 H GLY 631 H GLY 631 173.770 -8.210 -0.793 287 1HA GLY 631 1HA GLY 631 172.595 -9.055 -3.046 288 2HA GLY 631 2HA GLY 631 172.157 -7.359 -3.062 289 H LEU 632 H LEU 632 175.233 -7.710 -1.671 290 HA LEU 632 HA LEU 632 176.674 -7.841 -4.162 291 1HB LEU 632 1HB LEU 632 177.579 -5.637 -4.171 292 2HB LEU 632 2HB LEU 632 175.835 -5.517 -4.134 293 HG LEU 632 HG LEU 632 176.736 -3.818 -2.719 294 1HD1 LEU 632 1HD1 LEU 632 175.986 -5.595 -0.531 295 2HD1 LEU 632 2HD1 LEU 632 174.857 -5.602 -1.884 296 3HD1 LEU 632 3HD1 LEU 632 175.255 -4.088 -1.078 297 1HD2 LEU 632 1HD2 LEU 632 177.972 -5.574 -0.736 298 2HD2 LEU 632 2HD2 LEU 632 178.506 -4.018 -1.374 299 3HD2 LEU 632 3HD2 LEU 632 178.825 -5.497 -2.278 300 H LYS 633 H LYS 633 178.924 -8.047 -3.937 301 HA LYS 633 HA LYS 633 179.766 -8.827 -1.242 302 1HB LYS 633 1HB LYS 633 180.063 -10.331 -3.300 303 2HB LYS 633 2HB LYS 633 181.319 -9.208 -3.800 304 1HG LYS 633 1HG LYS 633 182.798 -10.140 -2.439 305 2HG LYS 633 2HG LYS 633 181.703 -10.021 -1.063 306 1HD LYS 633 1HD LYS 633 181.936 -12.297 -1.205 307 2HD LYS 633 2HD LYS 633 180.532 -12.061 -2.245 308 1HE LYS 633 1HE LYS 633 181.775 -12.343 -4.196 309 2HE LYS 633 2HE LYS 633 183.304 -12.025 -3.377 310 1HZ LYS 633 1HZ LYS 633 181.647 -14.399 -2.759 311 2HZ LYS 633 2HZ LYS 633 183.272 -14.130 -2.374 312 3HZ LYS 633 3HZ LYS 633 182.820 -14.412 -3.980 313 H VAL 634 H VAL 634 181.324 -7.719 -0.129 314 HA VAL 634 HA VAL 634 182.562 -5.446 -1.538 315 HB VAL 634 HB VAL 634 181.214 -5.542 1.118 316 1HG1 VAL 634 1HG1 VAL 634 183.409 -4.865 1.792 317 2HG1 VAL 634 2HG1 VAL 634 182.392 -3.423 1.744 318 3HG1 VAL 634 3HG1 VAL 634 183.535 -3.741 0.439 319 1HG2 VAL 634 1HG2 VAL 634 180.885 -4.226 -1.390 320 2HG2 VAL 634 2HG2 VAL 634 181.125 -3.014 -0.132 321 3HG2 VAL 634 3HG2 VAL 634 179.830 -4.203 0.024 322 H VAL 635 H VAL 635 184.583 -4.751 -0.862 323 HA VAL 635 HA VAL 635 186.121 -6.690 0.725 324 HB VAL 635 HB VAL 635 186.520 -5.792 -2.020 325 1HG1 VAL 635 1HG1 VAL 635 188.995 -5.701 -1.864 326 2HG1 VAL 635 2HG1 VAL 635 188.843 -5.622 -0.109 327 3HG1 VAL 635 3HG1 VAL 635 188.185 -4.328 -1.109 328 1HG2 VAL 635 1HG2 VAL 635 187.902 -7.828 -2.062 329 2HG2 VAL 635 2HG2 VAL 635 186.285 -8.091 -1.405 330 3HG2 VAL 635 3HG2 VAL 635 187.669 -7.981 -0.319 331 H GLY 636 H GLY 636 187.143 -5.823 2.416 332 1HA GLY 636 1HA GLY 636 187.428 -2.891 2.488 333 2HA GLY 636 2HA GLY 636 187.314 -3.932 3.899 334 H GLY 637 H GLY 637 189.296 -2.036 3.709 335 1HA GLY 637 1HA GLY 637 191.543 -1.995 4.285 336 2HA GLY 637 2HA GLY 637 191.638 -3.712 3.922 337 H LYS 638 H LYS 638 190.409 -1.318 1.675 338 HA LYS 638 HA LYS 638 192.622 -1.975 -0.132 339 1HB LYS 638 1HB LYS 638 189.884 -0.804 -0.613 340 2HB LYS 638 2HB LYS 638 191.123 -0.868 -1.858 341 1HG LYS 638 1HG LYS 638 190.415 -3.377 -0.427 342 2HG LYS 638 2HG LYS 638 189.305 -2.745 -1.644 343 1HD LYS 638 1HD LYS 638 191.617 -2.541 -2.994 344 2HD LYS 638 2HD LYS 638 192.005 -3.911 -1.951 345 1HE LYS 638 1HE LYS 638 190.572 -5.288 -3.012 346 2HE LYS 638 2HE LYS 638 189.359 -4.026 -3.225 347 1HZ LYS 638 1HZ LYS 638 191.821 -4.351 -4.857 348 2HZ LYS 638 2HZ LYS 638 190.658 -3.139 -5.062 349 3HZ LYS 638 3HZ LYS 638 190.253 -4.757 -5.344 350 H MET 639 H MET 639 194.228 -0.617 0.641 351 HA MET 639 HA MET 639 193.941 2.076 1.319 352 1HB MET 639 1HB MET 639 195.936 0.605 1.768 353 2HB MET 639 2HB MET 639 196.400 0.828 0.087 354 1HG MET 639 1HG MET 639 197.397 2.737 0.571 355 2HG MET 639 2HG MET 639 195.908 3.380 1.259 356 1HE MET 639 1HE MET 639 195.138 3.046 3.627 357 2HE MET 639 2HE MET 639 196.201 4.452 3.677 358 3HE MET 639 3HE MET 639 196.295 3.230 4.945 359 H THR 640 H THR 640 193.211 3.667 0.083 360 HA THR 640 HA THR 640 193.560 3.542 -2.811 361 HB THR 640 HB THR 640 192.102 5.730 -2.556 362 HG1 THR 640 HG1 THR 640 192.350 5.629 -0.210 363 1HG2 THR 640 1HG2 THR 640 190.341 3.580 -1.802 364 2HG2 THR 640 2HG2 THR 640 191.482 3.076 -3.048 365 3HG2 THR 640 3HG2 THR 640 190.446 4.478 -3.315 366 H ASP 641 H ASP 641 193.708 6.003 -3.702 367 HA ASP 641 HA ASP 641 196.382 6.793 -3.116 368 1HB ASP 641 1HB ASP 641 194.341 7.439 -5.096 369 2HB ASP 641 2HB ASP 641 195.275 8.851 -4.609 370 H LEU 642 H LEU 642 193.433 7.525 -1.645 371 HA LEU 642 HA LEU 642 193.938 10.233 -0.913 372 1HB LEU 642 1HB LEU 642 192.090 8.143 0.232 373 2HB LEU 642 2HB LEU 642 192.139 9.802 0.794 374 HG LEU 642 HG LEU 642 190.298 9.632 -0.695 375 1HD1 LEU 642 1HD1 LEU 642 192.280 10.787 -2.578 376 2HD1 LEU 642 2HD1 LEU 642 192.132 11.516 -0.980 377 3HD1 LEU 642 3HD1 LEU 642 190.725 11.420 -2.039 378 1HD2 LEU 642 1HD2 LEU 642 192.029 8.670 -2.936 379 2HD2 LEU 642 2HD2 LEU 642 190.279 8.568 -2.750 380 3HD2 LEU 642 3HD2 LEU 642 191.330 7.524 -1.794 381 H GLY 643 H GLY 643 194.896 7.146 0.346 382 1HA GLY 643 1HA GLY 643 196.844 7.018 1.755 383 2HA GLY 643 2HA GLY 643 196.364 8.542 2.483 384 H ARG 644 H ARG 644 193.727 6.473 2.024 385 HA ARG 644 HA ARG 644 194.004 5.299 4.697 386 1HB ARG 644 1HB ARG 644 191.514 5.854 5.011 387 2HB ARG 644 2HB ARG 644 192.677 7.156 5.220 388 1HG ARG 644 1HG ARG 644 192.204 7.894 2.907 389 2HG ARG 644 2HG ARG 644 190.960 6.646 2.800 390 1HD ARG 644 1HD ARG 644 189.677 8.428 3.431 391 2HD ARG 644 2HD ARG 644 190.107 7.786 5.016 392 HE ARG 644 HE ARG 644 191.937 9.774 4.035 393 1HH1 ARG 644 1HH1 ARG 644 188.958 9.235 5.772 394 2HH1 ARG 644 2HH1 ARG 644 189.039 10.739 6.626 395 1HH2 ARG 644 1HH2 ARG 644 192.045 11.753 5.158 396 2HH2 ARG 644 2HH2 ARG 644 190.789 12.169 6.278 397 H LEU 645 H LEU 645 192.223 3.654 5.099 398 HA LEU 645 HA LEU 645 191.998 1.994 2.707 399 1HB LEU 645 1HB LEU 645 191.405 1.322 5.589 400 2HB LEU 645 2HB LEU 645 191.426 0.188 4.252 401 HG LEU 645 HG LEU 645 193.828 1.731 5.231 402 1HD1 LEU 645 1HD1 LEU 645 194.491 -0.097 6.452 403 2HD1 LEU 645 2HD1 LEU 645 193.496 -1.216 5.521 404 3HD1 LEU 645 3HD1 LEU 645 192.745 -0.139 6.699 405 1HD2 LEU 645 1HD2 LEU 645 193.409 0.627 2.757 406 2HD2 LEU 645 2HD2 LEU 645 194.224 -0.673 3.626 407 3HD2 LEU 645 3HD2 LEU 645 194.982 0.915 3.500 408 H GLY 646 H GLY 646 189.999 0.877 2.219 409 1HA GLY 646 1HA GLY 646 187.553 1.954 3.368 410 2HA GLY 646 2HA GLY 646 187.840 2.355 1.682 411 H ALA 647 H ALA 647 185.813 1.208 1.323 412 HA ALA 647 HA ALA 647 186.239 -1.703 1.177 413 1HB ALA 647 1HB ALA 647 183.478 -0.609 1.367 414 2HB ALA 647 2HB ALA 647 184.457 -0.710 2.831 415 3HB ALA 647 3HB ALA 647 184.116 -2.167 1.898 416 H PHE 648 H PHE 648 185.761 -2.718 -0.743 417 HA PHE 648 HA PHE 648 184.611 -1.040 -2.878 418 1HB PHE 648 1HB PHE 648 187.069 -2.769 -2.944 419 2HB PHE 648 2HB PHE 648 186.174 -2.416 -4.418 420 HD1 PHE 648 HD1 PHE 648 188.032 -0.873 -1.620 421 HD2 PHE 648 HD2 PHE 648 186.418 -0.360 -5.523 422 HE1 PHE 648 HE1 PHE 648 189.239 1.261 -1.834 423 HE2 PHE 648 HE2 PHE 648 187.621 1.775 -5.746 424 HZ PHE 648 HZ PHE 648 189.035 2.587 -3.899 425 H ILE 649 H ILE 649 183.035 -1.972 -4.084 426 HA ILE 649 HA ILE 649 181.990 -4.491 -3.225 427 HB ILE 649 HB ILE 649 181.171 -2.700 -5.518 428 1HG1 ILE 649 1HG1 ILE 649 179.606 -3.160 -3.000 429 2HG1 ILE 649 2HG1 ILE 649 180.941 -2.010 -3.002 430 1HG2 ILE 649 1HG2 ILE 649 179.759 -5.110 -4.382 431 2HG2 ILE 649 2HG2 ILE 649 180.508 -4.995 -5.973 432 3HG2 ILE 649 3HG2 ILE 649 179.100 -4.007 -5.589 433 1HD1 ILE 649 1HD1 ILE 649 179.352 -0.552 -3.596 434 2HD1 ILE 649 2HD1 ILE 649 178.273 -1.814 -4.195 435 3HD1 ILE 649 3HD1 ILE 649 179.591 -1.226 -5.208 436 H THR 650 H THR 650 182.772 -6.379 -3.837 437 HA THR 650 HA THR 650 184.450 -6.674 -6.135 438 HB THR 650 HB THR 650 183.711 -9.230 -5.205 439 HG1 THR 650 HG1 THR 650 184.188 -8.860 -2.921 440 1HG2 THR 650 1HG2 THR 650 186.044 -7.799 -5.591 441 2HG2 THR 650 2HG2 THR 650 185.907 -9.473 -5.053 442 3HG2 THR 650 3HG2 THR 650 186.041 -8.174 -3.868 443 H LYS 651 H LYS 651 181.080 -7.319 -5.415 444 HA LYS 651 HA LYS 651 180.418 -7.512 -8.163 445 1HB LYS 651 1HB LYS 651 179.741 -9.834 -8.303 446 2HB LYS 651 2HB LYS 651 181.447 -9.736 -7.892 447 1HG LYS 651 1HG LYS 651 180.853 -10.127 -5.520 448 2HG LYS 651 2HG LYS 651 179.173 -10.344 -6.014 449 1HD LYS 651 1HD LYS 651 181.467 -11.978 -7.090 450 2HD LYS 651 2HD LYS 651 180.467 -12.470 -5.722 451 1HE LYS 651 1HE LYS 651 178.529 -11.940 -7.470 452 2HE LYS 651 2HE LYS 651 179.812 -12.336 -8.612 453 1HZ LYS 651 1HZ LYS 651 179.925 -14.491 -7.879 454 2HZ LYS 651 2HZ LYS 651 178.270 -14.189 -7.692 455 3HZ LYS 651 3HZ LYS 651 179.296 -14.136 -6.348 456 H VAL 652 H VAL 652 178.151 -7.847 -8.557 457 HA VAL 652 HA VAL 652 176.457 -7.479 -6.171 458 HB VAL 652 HB VAL 652 175.048 -6.216 -8.180 459 1HG1 VAL 652 1HG1 VAL 652 176.846 -5.049 -6.065 460 2HG1 VAL 652 2HG1 VAL 652 175.129 -5.432 -5.927 461 3HG1 VAL 652 3HG1 VAL 652 175.657 -4.123 -6.985 462 1HG2 VAL 652 1HG2 VAL 652 177.225 -6.324 -9.509 463 2HG2 VAL 652 2HG2 VAL 652 177.834 -5.118 -8.375 464 3HG2 VAL 652 3HG2 VAL 652 176.428 -4.756 -9.378 465 H LYS 653 H LYS 653 174.633 -8.684 -6.083 466 HA LYS 653 HA LYS 653 174.271 -10.705 -8.129 467 1HB LYS 653 1HB LYS 653 173.349 -10.286 -5.343 468 2HB LYS 653 2HB LYS 653 172.269 -11.195 -6.390 469 1HG LYS 653 1HG LYS 653 175.132 -11.968 -6.358 470 2HG LYS 653 2HG LYS 653 174.148 -12.365 -4.948 471 1HD LYS 653 1HD LYS 653 172.517 -13.466 -6.459 472 2HD LYS 653 2HD LYS 653 173.611 -13.159 -7.809 473 1HE LYS 653 1HE LYS 653 174.971 -14.848 -7.241 474 2HE LYS 653 2HE LYS 653 174.887 -14.461 -5.523 475 1HZ LYS 653 1HZ LYS 653 172.700 -15.545 -5.459 476 2HZ LYS 653 2HZ LYS 653 173.928 -16.612 -5.921 477 3HZ LYS 653 3HZ LYS 653 172.873 -15.985 -7.084 478 H LYS 654 H LYS 654 173.221 -10.066 -9.909 479 HA LYS 654 HA LYS 654 171.404 -7.961 -10.106 480 1HB LYS 654 1HB LYS 654 172.572 -8.984 -12.029 481 2HB LYS 654 2HB LYS 654 171.570 -10.420 -11.859 482 1HG LYS 654 1HG LYS 654 170.600 -9.189 -13.597 483 2HG LYS 654 2HG LYS 654 169.575 -8.885 -12.192 484 1HD LYS 654 1HD LYS 654 171.004 -6.800 -11.819 485 2HD LYS 654 2HD LYS 654 171.609 -7.068 -13.456 486 1HE LYS 654 1HE LYS 654 168.682 -6.846 -12.784 487 2HE LYS 654 2HE LYS 654 169.675 -5.467 -13.255 488 1HZ LYS 654 1HZ LYS 654 168.314 -6.925 -14.991 489 2HZ LYS 654 2HZ LYS 654 169.767 -7.790 -15.007 490 3HZ LYS 654 3HZ LYS 654 169.760 -6.143 -15.391 491 H GLY 655 H GLY 655 169.645 -7.862 -8.837 492 1HA GLY 655 1HA GLY 655 167.252 -8.610 -9.016 493 2HA GLY 655 2HA GLY 655 167.883 -10.231 -8.762 494 H SER 656 H SER 656 169.893 -9.134 -6.824 495 HA SER 656 HA SER 656 168.346 -9.515 -4.473 496 1HB SER 656 1HB SER 656 170.808 -10.090 -4.797 497 2HB SER 656 2HB SER 656 171.138 -8.371 -4.572 498 HG SER 656 HG SER 656 170.926 -10.123 -2.696 499 H LEU 657 H LEU 657 168.742 -7.890 -2.577 500 HA LEU 657 HA LEU 657 167.257 -5.590 -3.113 501 1HB LEU 657 1HB LEU 657 169.123 -6.048 -0.793 502 2HB LEU 657 2HB LEU 657 167.801 -4.898 -0.849 503 HG LEU 657 HG LEU 657 166.791 -7.523 -1.422 504 1HD1 LEU 657 1HD1 LEU 657 168.697 -7.305 0.855 505 2HD1 LEU 657 2HD1 LEU 657 168.384 -8.658 -0.231 506 3HD1 LEU 657 3HD1 LEU 657 167.237 -8.274 1.050 507 1HD2 LEU 657 1HD2 LEU 657 166.293 -5.270 0.407 508 2HD2 LEU 657 2HD2 LEU 657 165.746 -6.850 0.970 509 3HD2 LEU 657 3HD2 LEU 657 165.169 -6.215 -0.570 510 H ALA 658 H ALA 658 170.730 -5.917 -2.486 511 HA ALA 658 HA ALA 658 171.538 -3.302 -2.630 512 1HB ALA 658 1HB ALA 658 173.233 -5.288 -4.039 513 2HB ALA 658 2HB ALA 658 172.854 -5.582 -2.343 514 3HB ALA 658 3HB ALA 658 173.665 -4.089 -2.820 515 H ASP 659 H ASP 659 170.505 -5.356 -5.234 516 HA ASP 659 HA ASP 659 171.456 -3.530 -7.274 517 1HB ASP 659 1HB ASP 659 171.373 -6.109 -7.435 518 2HB ASP 659 2HB ASP 659 169.661 -5.883 -7.781 519 H VAL 660 H VAL 660 168.311 -4.777 -6.211 520 HA VAL 660 HA VAL 660 166.830 -3.030 -7.899 521 HB VAL 660 HB VAL 660 164.897 -3.689 -6.290 522 1HG1 VAL 660 1HG1 VAL 660 165.148 -6.135 -7.365 523 2HG1 VAL 660 2HG1 VAL 660 166.335 -5.259 -8.331 524 3HG1 VAL 660 3HG1 VAL 660 164.659 -4.713 -8.287 525 1HG2 VAL 660 1HG2 VAL 660 165.274 -5.120 -4.616 526 2HG2 VAL 660 2HG2 VAL 660 166.978 -4.708 -4.800 527 3HG2 VAL 660 3HG2 VAL 660 166.324 -6.133 -5.606 528 H VAL 661 H VAL 661 167.548 -2.941 -4.401 529 HA VAL 661 HA VAL 661 166.332 -0.282 -4.283 530 HB VAL 661 HB VAL 661 165.649 -1.896 -2.559 531 1HG1 VAL 661 1HG1 VAL 661 167.421 -3.296 -2.112 532 2HG1 VAL 661 2HG1 VAL 661 167.445 -2.237 -0.703 533 3HG1 VAL 661 3HG1 VAL 661 168.584 -1.974 -2.022 534 1HG2 VAL 661 1HG2 VAL 661 166.133 0.723 -2.237 535 2HG2 VAL 661 2HG2 VAL 661 167.184 0.071 -0.979 536 3HG2 VAL 661 3HG2 VAL 661 165.460 -0.301 -0.967 537 H GLY 662 H GLY 662 169.432 -1.890 -3.986 538 1HA GLY 662 1HA GLY 662 170.790 0.408 -2.920 539 2HA GLY 662 2HA GLY 662 171.545 -1.054 -3.532 540 H HIS 663 H HIS 663 171.045 -1.251 -6.066 541 HA HIS 663 HA HIS 663 171.379 -0.450 -8.165 542 1HB HIS 663 1HB HIS 663 170.050 1.665 -6.864 543 2HB HIS 663 2HB HIS 663 171.392 2.400 -7.734 544 HD1 HIS 663 HD1 HIS 663 169.813 3.501 -9.447 545 HD2 HIS 663 HD2 HIS 663 169.560 -0.645 -9.338 546 HE1 HIS 663 HE1 HIS 663 168.504 2.854 -11.494 547 HE2 HIS 663 HE2 HIS 663 168.277 0.348 -11.352 548 H LEU 664 H LEU 664 173.605 -1.291 -7.252 549 HA LEU 664 HA LEU 664 175.543 0.737 -8.045 550 1HB LEU 664 1HB LEU 664 177.074 -0.255 -6.174 551 2HB LEU 664 2HB LEU 664 175.957 1.044 -5.816 552 HG LEU 664 HG LEU 664 176.042 -0.734 -4.084 553 1HD1 LEU 664 1HD1 LEU 664 173.964 0.725 -4.852 554 2HD1 LEU 664 2HD1 LEU 664 173.857 -0.467 -3.555 555 3HD1 LEU 664 3HD1 LEU 664 173.300 -0.876 -5.176 556 1HD2 LEU 664 1HD2 LEU 664 175.439 -2.906 -4.454 557 2HD2 LEU 664 2HD2 LEU 664 176.215 -2.526 -5.993 558 3HD2 LEU 664 3HD2 LEU 664 174.454 -2.511 -5.864 559 H ARG 665 H ARG 665 177.798 -0.377 -8.230 560 HA ARG 665 HA ARG 665 177.500 -3.144 -9.135 561 1HB ARG 665 1HB ARG 665 178.478 -0.838 -10.808 562 2HB ARG 665 2HB ARG 665 178.870 -2.509 -11.191 563 1HG ARG 665 1HG ARG 665 176.602 -3.050 -11.584 564 2HG ARG 665 2HG ARG 665 176.046 -1.529 -10.881 565 1HD ARG 665 1HD ARG 665 177.505 -0.465 -12.769 566 2HD ARG 665 2HD ARG 665 177.328 -2.045 -13.530 567 HE ARG 665 HE ARG 665 174.787 -1.388 -12.892 568 1HH1 ARG 665 1HH1 ARG 665 177.318 0.294 -14.609 569 2HH1 ARG 665 2HH1 ARG 665 176.221 1.169 -15.622 570 1HH2 ARG 665 1HH2 ARG 665 173.342 -0.237 -14.225 571 2HH2 ARG 665 2HH2 ARG 665 173.963 0.869 -15.404 572 H ALA 666 H ALA 666 179.560 -4.232 -9.520 573 HA ALA 666 HA ALA 666 181.338 -3.957 -7.407 574 1HB ALA 666 1HB ALA 666 180.936 -5.894 -9.144 575 2HB ALA 666 2HB ALA 666 182.476 -5.729 -8.299 576 3HB ALA 666 3HB ALA 666 182.311 -5.143 -9.954 577 H GLY 667 H GLY 667 182.949 -2.597 -6.994 578 1HA GLY 667 1HA GLY 667 185.053 -1.645 -7.975 579 2HA GLY 667 2HA GLY 667 184.017 -1.006 -9.243 580 H ASP 668 H ASP 668 181.916 -0.538 -7.080 581 HA ASP 668 HA ASP 668 182.546 2.185 -6.605 582 1HB ASP 668 1HB ASP 668 180.264 0.523 -6.389 583 2HB ASP 668 2HB ASP 668 180.511 1.248 -4.803 584 H GLU 669 H GLU 669 183.089 3.245 -4.692 585 HA GLU 669 HA GLU 669 184.380 1.521 -2.696 586 1HB GLU 669 1HB GLU 669 185.694 3.300 -3.970 587 2HB GLU 669 2HB GLU 669 184.802 4.485 -3.025 588 1HG GLU 669 1HG GLU 669 185.657 3.321 -0.966 589 2HG GLU 669 2HG GLU 669 186.717 2.398 -2.028 590 H VAL 670 H VAL 670 183.101 1.122 -1.003 591 HA VAL 670 HA VAL 670 181.180 3.121 -0.115 592 HB VAL 670 HB VAL 670 181.662 0.271 0.764 593 1HG1 VAL 670 1HG1 VAL 670 180.909 1.156 2.752 594 2HG1 VAL 670 2HG1 VAL 670 179.385 0.737 1.972 595 3HG1 VAL 670 3HG1 VAL 670 179.951 2.407 1.960 596 1HG2 VAL 670 1HG2 VAL 670 180.513 0.800 -1.448 597 2HG2 VAL 670 2HG2 VAL 670 179.184 1.432 -0.474 598 3HG2 VAL 670 3HG2 VAL 670 179.655 -0.261 -0.331 599 H LEU 671 H LEU 671 181.908 4.661 1.195 600 HA LEU 671 HA LEU 671 184.088 4.081 3.050 601 1HB LEU 671 1HB LEU 671 182.786 6.765 2.792 602 2HB LEU 671 2HB LEU 671 184.436 6.376 3.236 603 HG LEU 671 HG LEU 671 184.716 7.267 1.131 604 1HD1 LEU 671 1HD1 LEU 671 185.711 5.606 -0.002 605 2HD1 LEU 671 2HD1 LEU 671 184.250 4.620 -0.049 606 3HD1 LEU 671 3HD1 LEU 671 185.260 4.631 1.397 607 1HD2 LEU 671 1HD2 LEU 671 182.648 5.821 -0.351 608 2HD2 LEU 671 2HD2 LEU 671 183.110 7.521 -0.406 609 3HD2 LEU 671 3HD2 LEU 671 182.027 6.943 0.860 610 H GLU 672 H GLU 672 180.846 3.736 3.113 611 HA GLU 672 HA GLU 672 180.767 4.070 6.017 612 1HB GLU 672 1HB GLU 672 178.794 5.219 4.054 613 2HB GLU 672 2HB GLU 672 178.414 4.986 5.755 614 1HG GLU 672 1HG GLU 672 180.722 6.347 5.973 615 2HG GLU 672 2HG GLU 672 180.120 6.997 4.449 616 H TRP 673 H TRP 673 179.983 2.315 6.977 617 HA TRP 673 HA TRP 673 178.093 0.607 5.505 618 1HB TRP 673 1HB TRP 673 180.495 -0.289 5.556 619 2HB TRP 673 2HB TRP 673 180.252 -0.520 7.286 620 HD1 TRP 673 HD1 TRP 673 178.218 -2.266 7.972 621 HE1 TRP 673 HE1 TRP 673 177.417 -4.388 6.754 622 HE3 TRP 673 HE3 TRP 673 180.205 -1.346 3.357 623 HZ2 TRP 673 HZ2 TRP 673 177.609 -5.523 4.170 624 HZ3 TRP 673 HZ3 TRP 673 179.848 -2.994 1.572 625 HH2 TRP 673 HH2 TRP 673 178.578 -5.043 1.971 626 H ASN 674 H ASN 674 176.246 0.692 6.619 627 HA ASN 674 HA ASN 674 174.752 0.578 8.333 628 1HB ASN 674 1HB ASN 674 176.212 -1.406 8.978 629 2HB ASN 674 2HB ASN 674 177.018 -0.325 10.111 630 1HD2 ASN 674 1HD2 ASN 674 173.694 -1.141 9.158 631 2HD2 ASN 674 2HD2 ASN 674 173.086 -1.274 10.769 632 H GLY 675 H GLY 675 176.043 3.007 7.762 633 1HA GLY 675 1HA GLY 675 176.070 5.140 8.615 634 2HA GLY 675 2HA GLY 675 175.359 4.495 10.084 635 H LYS 676 H LYS 676 178.301 2.991 9.165 636 HA LYS 676 HA LYS 676 179.693 4.524 11.256 637 1HB LYS 676 1HB LYS 676 180.228 2.534 12.114 638 2HB LYS 676 2HB LYS 676 179.417 1.720 10.789 639 1HG LYS 676 1HG LYS 676 181.398 0.880 10.230 640 2HG LYS 676 2HG LYS 676 181.877 2.497 9.704 641 1HD LYS 676 1HD LYS 676 183.492 1.492 11.272 642 2HD LYS 676 2HD LYS 676 182.775 2.970 11.910 643 1HE LYS 676 1HE LYS 676 181.651 1.878 13.557 644 2HE LYS 676 2HE LYS 676 181.429 0.422 12.587 645 1HZ LYS 676 1HZ LYS 676 183.514 1.079 14.449 646 2HZ LYS 676 2HZ LYS 676 184.111 0.512 12.972 647 3HZ LYS 676 3HZ LYS 676 183.026 -0.432 13.863 648 HA PRO 677 HA PRO 677 182.490 5.846 8.088 649 1HB PRO 677 1HB PRO 677 184.452 6.882 9.588 650 2HB PRO 677 2HB PRO 677 182.855 7.640 9.524 651 1HG PRO 677 1HG PRO 677 184.037 5.886 11.636 652 2HG PRO 677 2HG PRO 677 183.031 7.334 11.815 653 1HD PRO 677 1HD PRO 677 182.098 4.736 11.990 654 2HD PRO 677 2HD PRO 677 181.093 6.147 11.610 655 H LEU 678 H LEU 678 183.584 4.413 6.948 656 HA LEU 678 HA LEU 678 185.207 2.375 8.206 657 1HB LEU 678 1HB LEU 678 184.690 2.816 5.272 658 2HB LEU 678 2HB LEU 678 185.343 1.371 6.021 659 HG LEU 678 HG LEU 678 182.566 2.411 6.568 660 1HD1 LEU 678 1HD1 LEU 678 183.419 1.397 4.165 661 2HD1 LEU 678 2HD1 LEU 678 181.760 1.385 4.762 662 3HD1 LEU 678 3HD1 LEU 678 182.791 -0.028 4.995 663 1HD2 LEU 678 1HD2 LEU 678 182.667 -0.315 7.008 664 2HD2 LEU 678 2HD2 LEU 678 182.688 0.945 8.242 665 3HD2 LEU 678 3HD2 LEU 678 184.206 0.268 7.646 666 HA PRO 679 HA PRO 679 188.297 5.025 5.165 667 1HB PRO 679 1HB PRO 679 187.471 7.414 6.784 668 2HB PRO 679 2HB PRO 679 188.169 7.349 5.160 669 1HG PRO 679 1HG PRO 679 185.552 7.692 5.487 670 2HG PRO 679 2HG PRO 679 186.177 6.665 4.184 671 1HD PRO 679 1HD PRO 679 184.811 5.905 6.698 672 2HD PRO 679 2HD PRO 679 184.891 5.040 5.151 673 H GLY 680 H GLY 680 190.056 4.168 6.058 674 1HA GLY 680 1HA GLY 680 191.961 4.559 7.485 675 2HA GLY 680 2HA GLY 680 190.855 5.115 8.732 676 H ALA 681 H ALA 681 189.179 2.631 7.723 677 HA ALA 681 HA ALA 681 190.378 0.814 9.672 678 1HB ALA 681 1HB ALA 681 187.732 1.554 9.068 679 2HB ALA 681 2HB ALA 681 188.284 0.377 10.259 680 3HB ALA 681 3HB ALA 681 187.894 -0.144 8.620 681 H THR 682 H THR 682 191.172 -1.158 9.169 682 HA THR 682 HA THR 682 191.602 -1.735 6.358 683 HB THR 682 HB THR 682 193.534 -1.977 7.719 684 HG1 THR 682 HG1 THR 682 193.516 -3.634 6.290 685 1HG2 THR 682 1HG2 THR 682 193.489 -3.817 9.537 686 2HG2 THR 682 2HG2 THR 682 191.757 -3.484 9.571 687 3HG2 THR 682 3HG2 THR 682 192.911 -2.195 9.914 688 H ASN 683 H ASN 683 191.644 -4.307 5.983 689 HA ASN 683 HA ASN 683 189.044 -5.117 5.613 690 1HB ASN 683 1HB ASN 683 190.028 -7.462 5.448 691 2HB ASN 683 2HB ASN 683 190.732 -6.240 4.393 692 1HD2 ASN 683 1HD2 ASN 683 192.850 -6.179 4.331 693 2HD2 ASN 683 2HD2 ASN 683 193.925 -6.747 5.559 694 H GLU 684 H GLU 684 191.183 -5.918 8.333 695 HA GLU 684 HA GLU 684 189.400 -7.659 9.634 696 1HB GLU 684 1HB GLU 684 190.777 -7.147 11.681 697 2HB GLU 684 2HB GLU 684 191.691 -7.708 10.288 698 1HG GLU 684 1HG GLU 684 192.462 -5.509 9.810 699 2HG GLU 684 2HG GLU 684 191.371 -4.807 11.005 700 H GLU 685 H GLU 685 189.860 -4.171 9.864 701 HA GLU 685 HA GLU 685 188.121 -3.725 12.031 702 1HB GLU 685 1HB GLU 685 189.693 -2.146 10.339 703 2HB GLU 685 2HB GLU 685 188.049 -1.582 10.078 704 1HG GLU 685 1HG GLU 685 187.919 -0.627 12.095 705 2HG GLU 685 2HG GLU 685 188.757 -1.959 12.890 706 H VAL 686 H VAL 686 187.541 -3.289 8.544 707 HA VAL 686 HA VAL 686 184.842 -2.789 8.579 708 HB VAL 686 HB VAL 686 186.392 -4.389 6.540 709 1HG1 VAL 686 1HG1 VAL 686 184.607 -3.851 4.975 710 2HG1 VAL 686 2HG1 VAL 686 183.711 -3.037 6.259 711 3HG1 VAL 686 3HG1 VAL 686 183.985 -4.778 6.341 712 1HG2 VAL 686 1HG2 VAL 686 185.948 -1.971 5.418 713 2HG2 VAL 686 2HG2 VAL 686 187.410 -2.391 6.310 714 3HG2 VAL 686 3HG2 VAL 686 186.107 -1.516 7.115 715 H TYR 687 H TYR 687 186.477 -5.928 8.609 716 HA TYR 687 HA TYR 687 184.359 -7.652 8.325 717 1HB TYR 687 1HB TYR 687 186.748 -7.906 10.160 718 2HB TYR 687 2HB TYR 687 185.637 -9.223 9.816 719 HD1 TYR 687 HD1 TYR 687 188.472 -9.580 9.346 720 HD2 TYR 687 HD2 TYR 687 185.524 -7.894 6.786 721 HE1 TYR 687 HE1 TYR 687 189.822 -10.201 7.388 722 HE2 TYR 687 HE2 TYR 687 186.865 -8.511 4.821 723 HH TYR 687 HH TYR 687 188.752 -10.459 4.420 724 H ASN 688 H ASN 688 185.410 -5.991 11.256 725 HA ASN 688 HA ASN 688 183.442 -7.175 12.943 726 1HB ASN 688 1HB ASN 688 185.429 -4.971 13.188 727 2HB ASN 688 2HB ASN 688 184.083 -4.982 14.324 728 1HD2 ASN 688 1HD2 ASN 688 187.107 -6.262 13.554 729 2HD2 ASN 688 2HD2 ASN 688 187.179 -7.479 14.778 730 H ILE 689 H ILE 689 183.633 -4.192 11.078 731 HA ILE 689 HA ILE 689 181.326 -2.949 12.097 732 HB ILE 689 HB ILE 689 182.827 -2.666 9.508 733 1HG1 ILE 689 1HG1 ILE 689 182.980 -0.275 10.583 734 2HG1 ILE 689 2HG1 ILE 689 182.537 -1.126 12.059 735 1HG2 ILE 689 1HG2 ILE 689 181.402 -0.682 9.019 736 2HG2 ILE 689 2HG2 ILE 689 180.307 -1.212 10.295 737 3HG2 ILE 689 3HG2 ILE 689 180.558 -2.224 8.871 738 1HD1 ILE 689 1HD1 ILE 689 185.001 -0.770 11.628 739 2HD1 ILE 689 2HD1 ILE 689 184.849 -1.980 10.354 740 3HD1 ILE 689 3HD1 ILE 689 184.496 -2.411 12.028 741 H ILE 690 H ILE 690 181.667 -4.514 8.905 742 HA ILE 690 HA ILE 690 178.994 -4.614 8.246 743 HB ILE 690 HB ILE 690 181.073 -6.685 7.531 744 1HG1 ILE 690 1HG1 ILE 690 180.395 -3.972 6.415 745 2HG1 ILE 690 2HG1 ILE 690 181.970 -4.614 6.860 746 1HG2 ILE 690 1HG2 ILE 690 178.528 -5.924 6.099 747 2HG2 ILE 690 2HG2 ILE 690 178.742 -7.371 7.081 748 3HG2 ILE 690 3HG2 ILE 690 179.684 -7.160 5.605 749 1HD1 ILE 690 1HD1 ILE 690 181.031 -6.279 4.823 750 2HD1 ILE 690 2HD1 ILE 690 182.304 -5.064 4.724 751 3HD1 ILE 690 3HD1 ILE 690 180.643 -4.634 4.323 752 H LEU 691 H LEU 691 180.880 -7.214 9.816 753 HA LEU 691 HA LEU 691 178.862 -9.068 10.141 754 1HB LEU 691 1HB LEU 691 181.306 -8.412 11.734 755 2HB LEU 691 2HB LEU 691 180.189 -9.626 12.323 756 HG LEU 691 HG LEU 691 180.714 -11.128 10.665 757 1HD1 LEU 691 1HD1 LEU 691 181.676 -10.562 8.495 758 2HD1 LEU 691 2HD1 LEU 691 181.730 -8.860 8.956 759 3HD1 LEU 691 3HD1 LEU 691 180.177 -9.676 8.776 760 1HD2 LEU 691 1HD2 LEU 691 182.979 -9.598 11.658 761 2HD2 LEU 691 2HD2 LEU 691 183.329 -10.447 10.153 762 3HD2 LEU 691 3HD2 LEU 691 182.747 -11.342 11.557 763 H GLU 692 H GLU 692 179.796 -6.482 12.365 764 HA GLU 692 HA GLU 692 177.874 -6.982 14.338 765 1HB GLU 692 1HB GLU 692 179.543 -4.643 13.557 766 2HB GLU 692 2HB GLU 692 178.184 -4.349 14.634 767 1HG GLU 692 1HG GLU 692 179.838 -6.629 15.406 768 2HG GLU 692 2HG GLU 692 180.687 -5.085 15.411 769 H SER 693 H SER 693 177.653 -5.399 11.252 770 HA SER 693 HA SER 693 174.999 -4.341 11.844 771 1HB SER 693 1HB SER 693 175.162 -3.135 9.792 772 2HB SER 693 2HB SER 693 176.744 -3.016 10.563 773 HG SER 693 HG SER 693 176.026 -4.210 8.206 774 H LYS 694 H LYS 694 176.369 -7.172 10.611 775 HA LYS 694 HA LYS 694 174.518 -7.844 8.591 776 1HB LYS 694 1HB LYS 694 176.533 -9.292 10.209 777 2HB LYS 694 2HB LYS 694 175.255 -10.272 9.507 778 1HG LYS 694 1HG LYS 694 175.924 -8.861 7.346 779 2HG LYS 694 2HG LYS 694 177.469 -8.818 8.200 780 1HD LYS 694 1HD LYS 694 175.916 -11.340 7.639 781 2HD LYS 694 2HD LYS 694 177.220 -10.735 6.617 782 1HE LYS 694 1HE LYS 694 178.658 -11.827 7.912 783 2HE LYS 694 2HE LYS 694 178.241 -10.726 9.223 784 1HZ LYS 694 1HZ LYS 694 176.832 -13.272 8.625 785 2HZ LYS 694 2HZ LYS 694 176.513 -12.235 9.923 786 3HZ LYS 694 3HZ LYS 694 177.985 -13.062 9.846 787 H SER 695 H SER 695 174.286 -7.826 12.029 788 HA SER 695 HA SER 695 172.008 -9.626 12.086 789 1HB SER 695 1HB SER 695 172.843 -8.010 14.459 790 2HB SER 695 2HB SER 695 172.238 -9.665 14.386 791 HG SER 695 HG SER 695 174.826 -8.687 13.943 792 H GLU 696 H GLU 696 172.561 -6.294 11.652 793 HA GLU 696 HA GLU 696 170.155 -5.333 12.849 794 1HB GLU 696 1HB GLU 696 172.408 -4.214 11.357 795 2HB GLU 696 2HB GLU 696 170.877 -3.440 10.974 796 1HG GLU 696 1HG GLU 696 170.634 -2.561 13.058 797 2HG GLU 696 2HG GLU 696 171.541 -3.859 13.833 798 HA PRO 697 HA PRO 697 167.297 -6.637 9.700 799 1HB PRO 697 1HB PRO 697 165.731 -4.273 10.566 800 2HB PRO 697 2HB PRO 697 165.258 -5.973 10.497 801 1HG PRO 697 1HG PRO 697 165.753 -4.778 12.832 802 2HG PRO 697 2HG PRO 697 166.225 -6.464 12.542 803 1HD PRO 697 1HD PRO 697 167.913 -3.995 12.545 804 2HD PRO 697 2HD PRO 697 168.285 -5.619 13.161 805 H GLN 698 H GLN 698 168.769 -3.520 9.869 806 HA GLN 698 HA GLN 698 168.344 -3.180 6.999 807 1HB GLN 698 1HB GLN 698 166.582 -1.843 8.006 808 2HB GLN 698 2HB GLN 698 167.746 -1.046 9.055 809 1HG GLN 698 1HG GLN 698 168.823 -0.052 7.098 810 2HG GLN 698 2HG GLN 698 167.645 -0.843 6.053 811 1HE2 GLN 698 1HE2 GLN 698 168.098 1.584 8.532 812 2HE2 GLN 698 2HE2 GLN 698 166.653 2.472 8.198 813 H VAL 699 H VAL 699 169.850 -1.690 6.007 814 HA VAL 699 HA VAL 699 172.193 -1.016 7.636 815 HB VAL 699 HB VAL 699 172.298 -2.551 5.033 816 1HG1 VAL 699 1HG1 VAL 699 174.763 -2.480 5.345 817 2HG1 VAL 699 2HG1 VAL 699 174.526 -1.323 6.655 818 3HG1 VAL 699 3HG1 VAL 699 174.050 -0.900 5.009 819 1HG2 VAL 699 1HG2 VAL 699 172.902 -3.244 7.885 820 2HG2 VAL 699 2HG2 VAL 699 173.675 -4.108 6.556 821 3HG2 VAL 699 3HG2 VAL 699 171.919 -4.119 6.711 822 H GLU 700 H GLU 700 173.472 0.664 6.818 823 HA GLU 700 HA GLU 700 172.347 2.159 4.547 824 1HB GLU 700 1HB GLU 700 171.621 3.274 6.580 825 2HB GLU 700 2HB GLU 700 173.263 3.276 7.205 826 1HG GLU 700 1HG GLU 700 173.850 4.678 5.150 827 2HG GLU 700 2HG GLU 700 172.111 4.901 4.968 828 H ILE 701 H ILE 701 173.881 1.938 3.015 829 HA ILE 701 HA ILE 701 176.679 2.346 3.835 830 HB ILE 701 HB ILE 701 177.096 1.182 1.512 831 1HG1 ILE 701 1HG1 ILE 701 174.379 0.132 2.336 832 2HG1 ILE 701 2HG1 ILE 701 174.781 0.965 0.838 833 1HG2 ILE 701 1HG2 ILE 701 177.192 -1.002 2.721 834 2HG2 ILE 701 2HG2 ILE 701 176.392 -0.215 4.082 835 3HG2 ILE 701 3HG2 ILE 701 177.980 0.341 3.550 836 1HD1 ILE 701 1HD1 ILE 701 175.971 -0.872 0.008 837 2HD1 ILE 701 2HD1 ILE 701 174.508 -1.551 0.728 838 3HD1 ILE 701 3HD1 ILE 701 176.044 -1.643 1.594 839 H ILE 702 H ILE 702 177.900 3.816 2.843 840 HA ILE 702 HA ILE 702 176.650 5.394 0.688 841 HB ILE 702 HB ILE 702 178.714 6.494 2.577 842 1HG1 ILE 702 1HG1 ILE 702 176.933 5.773 4.029 843 2HG1 ILE 702 2HG1 ILE 702 176.807 7.518 3.844 844 1HG2 ILE 702 1HG2 ILE 702 176.555 8.090 1.297 845 2HG2 ILE 702 2HG2 ILE 702 177.893 7.527 0.297 846 3HG2 ILE 702 3HG2 ILE 702 178.210 8.544 1.703 847 1HD1 ILE 702 1HD1 ILE 702 174.683 6.038 3.735 848 2HD1 ILE 702 2HD1 ILE 702 175.203 5.725 2.079 849 3HD1 ILE 702 3HD1 ILE 702 174.876 7.377 2.604 850 H VAL 703 H VAL 703 177.979 6.090 -1.015 851 HA VAL 703 HA VAL 703 180.666 4.888 -1.082 852 HB VAL 703 HB VAL 703 180.295 4.514 -3.545 853 1HG1 VAL 703 1HG1 VAL 703 180.300 2.675 -1.990 854 2HG1 VAL 703 2HG1 VAL 703 179.040 2.414 -3.194 855 3HG1 VAL 703 3HG1 VAL 703 178.611 2.970 -1.575 856 1HG2 VAL 703 1HG2 VAL 703 177.408 4.285 -3.253 857 2HG2 VAL 703 2HG2 VAL 703 178.361 4.996 -4.555 858 3HG2 VAL 703 3HG2 VAL 703 177.979 5.949 -3.122 859 H SER 704 H SER 704 181.830 5.742 -3.166 860 HA SER 704 HA SER 704 181.353 8.623 -3.472 861 1HB SER 704 1HB SER 704 183.717 7.306 -2.290 862 2HB SER 704 2HB SER 704 184.080 8.532 -3.505 863 HG SER 704 HG SER 704 183.851 9.270 -1.258 864 H ARG 705 H ARG 705 180.874 8.788 -5.573 865 HA ARG 705 HA ARG 705 182.593 7.366 -7.498 866 1HB ARG 705 1HB ARG 705 179.966 6.980 -7.293 867 2HB ARG 705 2HB ARG 705 179.928 8.406 -8.323 868 1HG ARG 705 1HG ARG 705 181.768 6.927 -9.621 869 2HG ARG 705 2HG ARG 705 180.763 5.652 -8.928 870 1HD ARG 705 1HD ARG 705 179.021 6.127 -10.267 871 2HD ARG 705 2HD ARG 705 179.271 7.868 -10.140 872 HE ARG 705 HE ARG 705 180.357 7.778 -12.136 873 1HH1 ARG 705 1HH1 ARG 705 180.507 4.609 -10.682 874 2HH1 ARG 705 2HH1 ARG 705 181.300 3.887 -12.041 875 1HH2 ARG 705 1HH2 ARG 705 181.401 6.830 -13.924 876 2HH2 ARG 705 2HH2 ARG 705 181.808 5.147 -13.882 877 H GLU 943 H GLU 943 189.053 -13.075 -4.866 878 HA GLU 943 HA GLU 943 190.473 -11.957 -3.156 879 1HB GLU 943 1HB GLU 943 191.615 -10.607 -4.993 880 2HB GLU 943 2HB GLU 943 190.150 -9.639 -5.060 881 1HG GLU 943 1HG GLU 943 190.716 -8.476 -3.255 882 2HG GLU 943 2HG GLU 943 191.147 -9.928 -2.353 883 H GLU 944 H GLU 944 189.038 -11.589 -1.599 884 HA GLU 944 HA GLU 944 186.715 -9.924 -2.080 885 1HB GLU 944 1HB GLU 944 185.103 -11.581 -1.313 886 2HB GLU 944 2HB GLU 944 185.941 -12.164 -2.744 887 1HG GLU 944 1HG GLU 944 187.327 -13.604 -1.410 888 2HG GLU 944 2HG GLU 944 186.645 -12.943 0.075 889 H GLY 945 H GLY 945 185.533 -9.437 -0.073 890 1HA GLY 945 1HA GLY 945 187.325 -9.649 2.269 891 2HA GLY 945 2HA GLY 945 186.324 -8.245 1.930 892 H ILE 946 H ILE 946 183.886 -8.929 1.629 893 HA ILE 946 HA ILE 946 183.127 -11.022 3.510 894 HB ILE 946 HB ILE 946 181.599 -8.540 3.932 895 1HG1 ILE 946 1HG1 ILE 946 184.496 -8.771 4.751 896 2HG1 ILE 946 2HG1 ILE 946 183.703 -7.438 3.916 897 1HG2 ILE 946 1HG2 ILE 946 181.045 -9.588 5.822 898 2HG2 ILE 946 2HG2 ILE 946 182.729 -9.913 6.238 899 3HG2 ILE 946 3HG2 ILE 946 181.862 -10.999 5.150 900 1HD1 ILE 946 1HD1 ILE 946 184.046 -6.712 6.118 901 2HD1 ILE 946 2HD1 ILE 946 183.468 -8.236 6.790 902 3HD1 ILE 946 3HD1 ILE 946 182.336 -7.132 6.020 903 H TRP 947 H TRP 947 180.854 -11.532 3.442 904 HA TRP 947 HA TRP 947 179.794 -11.160 0.756 905 1HB TRP 947 1HB TRP 947 179.612 -13.230 2.773 906 2HB TRP 947 2HB TRP 947 178.017 -12.785 2.168 907 HD1 TRP 947 HD1 TRP 947 180.329 -15.346 1.515 908 HE1 TRP 947 HE1 TRP 947 180.351 -16.110 -0.943 909 HE3 TRP 947 HE3 TRP 947 177.945 -11.350 -0.604 910 HZ2 TRP 947 HZ2 TRP 947 179.476 -15.142 -3.450 911 HZ3 TRP 947 HZ3 TRP 947 177.577 -11.347 -3.036 912 HH2 TRP 947 HH2 TRP 947 178.327 -13.205 -4.427 913 H ALA 948 H ALA 948 178.317 -9.708 0.288 914 HA ALA 948 HA ALA 948 176.379 -8.919 2.335 915 1HB ALA 948 1HB ALA 948 178.320 -7.138 0.940 916 2HB ALA 948 2HB ALA 948 177.750 -7.098 2.609 917 3HB ALA 948 3HB ALA 948 176.710 -6.520 1.308 Start of MODEL 3 1 H HIS 597 H HIS 597 162.021 4.148 2.308 2 HA HIS 597 HA HIS 597 161.849 5.539 0.279 3 1HB HIS 597 1HB HIS 597 163.611 5.766 2.623 4 2HB HIS 597 2HB HIS 597 164.020 6.867 1.312 5 HD1 HIS 597 HD1 HIS 597 162.940 7.943 3.979 6 HD2 HIS 597 HD2 HIS 597 160.565 7.086 0.679 7 HE1 HIS 597 HE1 HIS 597 160.864 9.332 4.266 8 HE2 HIS 597 HE2 HIS 597 159.481 8.863 2.213 9 HA PRO 598 HA PRO 598 164.787 4.818 -2.940 10 1HB PRO 598 1HB PRO 598 164.803 7.227 -4.177 11 2HB PRO 598 2HB PRO 598 163.435 6.113 -4.280 12 1HG PRO 598 1HG PRO 598 163.795 8.514 -2.527 13 2HG PRO 598 2HG PRO 598 162.364 8.000 -3.442 14 1HD PRO 598 1HD PRO 598 162.638 7.558 -0.781 15 2HD PRO 598 2HD PRO 598 161.745 6.456 -1.849 16 H VAL 599 H VAL 599 166.814 5.740 -3.914 17 HA VAL 599 HA VAL 599 168.493 6.801 -1.761 18 HB VAL 599 HB VAL 599 169.032 5.096 -4.148 19 1HG1 VAL 599 1HG1 VAL 599 171.506 5.513 -3.780 20 2HG1 VAL 599 2HG1 VAL 599 171.033 6.979 -2.922 21 3HG1 VAL 599 3HG1 VAL 599 170.618 6.782 -4.624 22 1HG2 VAL 599 1HG2 VAL 599 169.532 5.072 -1.224 23 2HG2 VAL 599 2HG2 VAL 599 170.650 4.192 -2.266 24 3HG2 VAL 599 3HG2 VAL 599 168.933 3.793 -2.280 25 H THR 600 H THR 600 169.879 8.538 -2.062 26 HA THR 600 HA THR 600 169.430 10.159 -4.474 27 HB THR 600 HB THR 600 169.721 12.128 -2.735 28 HG1 THR 600 HG1 THR 600 169.960 10.620 -0.971 29 1HG2 THR 600 1HG2 THR 600 167.135 10.628 -3.048 30 2HG2 THR 600 2HG2 THR 600 167.752 11.891 -4.115 31 3HG2 THR 600 3HG2 THR 600 167.299 12.281 -2.455 32 H TRP 601 H TRP 601 171.130 11.547 -5.078 33 HA TRP 601 HA TRP 601 173.700 11.026 -3.737 34 1HB TRP 601 1HB TRP 601 173.229 11.224 -6.719 35 2HB TRP 601 2HB TRP 601 174.796 11.030 -5.941 36 HD1 TRP 601 HD1 TRP 601 171.446 9.090 -6.211 37 HE1 TRP 601 HE1 TRP 601 171.987 6.574 -6.168 38 HE3 TRP 601 HE3 TRP 601 176.500 9.358 -5.487 39 HZ2 TRP 601 HZ2 TRP 601 174.255 4.921 -5.867 40 HZ3 TRP 601 HZ3 TRP 601 177.781 7.264 -5.332 41 HH2 TRP 601 HH2 TRP 601 176.680 5.092 -5.518 42 H GLN 602 H GLN 602 174.540 12.839 -2.955 43 HA GLN 602 HA GLN 602 173.956 15.373 -4.341 44 1HB GLN 602 1HB GLN 602 174.505 16.383 -2.039 45 2HB GLN 602 2HB GLN 602 172.957 15.571 -2.232 46 1HG GLN 602 1HG GLN 602 173.921 13.554 -1.199 47 2HG GLN 602 2HG GLN 602 175.428 14.433 -0.944 48 1HE2 GLN 602 1HE2 GLN 602 175.281 14.160 1.287 49 2HE2 GLN 602 2HE2 GLN 602 174.162 15.061 2.248 50 HA PRO 603 HA PRO 603 178.166 16.281 -5.214 51 1HB PRO 603 1HB PRO 603 178.493 18.670 -3.764 52 2HB PRO 603 2HB PRO 603 177.973 18.525 -5.444 53 1HG PRO 603 1HG PRO 603 176.342 18.882 -2.979 54 2HG PRO 603 2HG PRO 603 176.069 19.516 -4.612 55 1HD PRO 603 1HD PRO 603 174.637 17.465 -3.677 56 2HD PRO 603 2HD PRO 603 175.169 17.510 -5.372 57 H SER 604 H SER 604 180.142 15.829 -4.399 58 HA SER 604 HA SER 604 180.277 14.867 -1.686 59 1HB SER 604 1HB SER 604 181.380 13.782 -3.721 60 2HB SER 604 2HB SER 604 182.587 15.064 -3.616 61 HG SER 604 HG SER 604 182.824 12.895 -2.409 62 H LYS 605 H LYS 605 182.685 15.363 -0.723 63 HA LYS 605 HA LYS 605 182.516 18.110 0.094 64 1HB LYS 605 1HB LYS 605 183.237 15.992 1.457 65 2HB LYS 605 2HB LYS 605 184.826 16.332 0.784 66 1HG LYS 605 1HG LYS 605 185.181 17.902 2.300 67 2HG LYS 605 2HG LYS 605 183.705 18.746 1.828 68 1HD LYS 605 1HD LYS 605 183.713 16.362 3.668 69 2HD LYS 605 2HD LYS 605 183.846 18.023 4.249 70 1HE LYS 605 1HE LYS 605 181.646 17.526 2.363 71 2HE LYS 605 2HE LYS 605 181.506 16.695 3.912 72 1HZ LYS 605 1HZ LYS 605 182.260 19.495 4.050 73 2HZ LYS 605 2HZ LYS 605 181.178 18.615 5.008 74 3HZ LYS 605 3HZ LYS 605 180.689 19.193 3.495 75 H GLU 606 H GLU 606 183.995 16.572 -2.501 76 HA GLU 606 HA GLU 606 186.156 18.545 -2.667 77 1HB GLU 606 1HB GLU 606 185.765 15.809 -3.665 78 2HB GLU 606 2HB GLU 606 186.483 16.905 -4.838 79 1HG GLU 606 1HG GLU 606 187.555 16.672 -2.050 80 2HG GLU 606 2HG GLU 606 188.042 15.561 -3.330 81 H GLY 607 H GLY 607 183.074 17.773 -3.977 82 1HA GLY 607 1HA GLY 607 181.796 19.275 -5.264 83 2HA GLY 607 2HA GLY 607 183.277 20.079 -5.755 84 H ASP 608 H ASP 608 184.732 17.888 -6.701 85 HA ASP 608 HA ASP 608 183.400 17.491 -9.237 86 1HB ASP 608 1HB ASP 608 186.163 17.200 -8.200 87 2HB ASP 608 2HB ASP 608 185.711 16.152 -9.543 88 H ARG 609 H ARG 609 182.983 15.940 -6.459 89 HA ARG 609 HA ARG 609 182.716 13.321 -7.774 90 1HB ARG 609 1HB ARG 609 184.367 13.889 -5.614 91 2HB ARG 609 2HB ARG 609 182.942 13.173 -4.872 92 1HG ARG 609 1HG ARG 609 183.412 11.130 -5.647 93 2HG ARG 609 2HG ARG 609 183.911 11.735 -7.228 94 1HD ARG 609 1HD ARG 609 186.013 11.321 -6.637 95 2HD ARG 609 2HD ARG 609 185.875 12.620 -5.453 96 HE ARG 609 HE ARG 609 185.898 9.792 -4.935 97 1HH1 ARG 609 1HH1 ARG 609 184.912 12.914 -3.729 98 2HH1 ARG 609 2HH1 ARG 609 184.878 12.404 -2.075 99 1HH2 ARG 609 1HH2 ARG 609 185.853 9.118 -2.760 100 2HH2 ARG 609 2HH2 ARG 609 185.412 10.248 -1.524 101 H LEU 610 H LEU 610 180.959 11.996 -7.010 102 HA LEU 610 HA LEU 610 178.780 13.581 -5.819 103 1HB LEU 610 1HB LEU 610 178.900 12.279 -8.323 104 2HB LEU 610 2HB LEU 610 177.798 11.345 -7.329 105 HG LEU 610 HG LEU 610 176.639 13.047 -8.676 106 1HD1 LEU 610 1HD1 LEU 610 176.204 14.179 -6.026 107 2HD1 LEU 610 2HD1 LEU 610 176.222 12.416 -6.041 108 3HD1 LEU 610 3HD1 LEU 610 175.100 13.296 -7.078 109 1HD2 LEU 610 1HD2 LEU 610 177.886 14.911 -8.972 110 2HD2 LEU 610 2HD2 LEU 610 178.632 14.801 -7.378 111 3HD2 LEU 610 3HD2 LEU 610 177.000 15.448 -7.544 112 H ILE 611 H ILE 611 178.103 12.882 -3.917 113 HA ILE 611 HA ILE 611 178.684 10.107 -3.140 114 HB ILE 611 HB ILE 611 177.933 12.376 -1.303 115 1HG1 ILE 611 1HG1 ILE 611 180.009 12.963 -2.420 116 2HG1 ILE 611 2HG1 ILE 611 180.350 12.498 -0.757 117 1HG2 ILE 611 1HG2 ILE 611 178.494 9.533 -0.972 118 2HG2 ILE 611 2HG2 ILE 611 177.674 10.662 0.106 119 3HG2 ILE 611 3HG2 ILE 611 179.434 10.568 0.105 120 1HD1 ILE 611 1HD1 ILE 611 181.356 11.397 -3.206 121 2HD1 ILE 611 2HD1 ILE 611 180.571 10.147 -2.241 122 3HD1 ILE 611 3HD1 ILE 611 181.877 11.109 -1.547 123 H GLY 612 H GLY 612 177.095 8.805 -2.222 124 1HA GLY 612 1HA GLY 612 174.345 9.852 -2.263 125 2HA GLY 612 2HA GLY 612 174.724 8.385 -3.153 126 H ARG 613 H ARG 613 172.790 8.504 -1.133 127 HA ARG 613 HA ARG 613 174.065 6.959 1.028 128 1HB ARG 613 1HB ARG 613 172.201 7.594 2.459 129 2HB ARG 613 2HB ARG 613 172.968 9.030 1.797 130 1HG ARG 613 1HG ARG 613 171.145 8.930 -0.006 131 2HG ARG 613 2HG ARG 613 170.321 7.822 1.093 132 1HD ARG 613 1HD ARG 613 170.798 9.703 2.853 133 2HD ARG 613 2HD ARG 613 170.930 10.725 1.422 134 HE ARG 613 HE ARG 613 168.551 9.111 1.483 135 1HH1 ARG 613 1HH1 ARG 613 169.992 12.128 2.485 136 2HH1 ARG 613 2HH1 ARG 613 168.474 12.949 2.630 137 1HH2 ARG 613 1HH2 ARG 613 166.554 10.189 1.673 138 2HH2 ARG 613 2HH2 ARG 613 166.522 11.848 2.171 139 H VAL 614 H VAL 614 173.670 4.824 0.993 140 HA VAL 614 HA VAL 614 171.219 3.930 -0.370 141 HB VAL 614 HB VAL 614 173.814 2.405 -0.155 142 1HG1 VAL 614 1HG1 VAL 614 171.191 1.850 -1.506 143 2HG1 VAL 614 2HG1 VAL 614 172.085 0.837 -0.373 144 3HG1 VAL 614 3HG1 VAL 614 172.687 1.067 -2.015 145 1HG2 VAL 614 1HG2 VAL 614 174.294 4.187 -1.600 146 2HG2 VAL 614 2HG2 VAL 614 172.694 4.133 -2.340 147 3HG2 VAL 614 3HG2 VAL 614 173.861 2.853 -2.670 148 H ILE 615 H ILE 615 169.849 2.661 0.687 149 HA ILE 615 HA ILE 615 170.684 1.592 3.303 150 HB ILE 615 HB ILE 615 167.806 2.068 2.605 151 1HG1 ILE 615 1HG1 ILE 615 168.998 4.203 2.190 152 2HG1 ILE 615 2HG1 ILE 615 167.911 4.301 3.571 153 1HG2 ILE 615 1HG2 ILE 615 167.780 2.459 5.130 154 2HG2 ILE 615 2HG2 ILE 615 169.415 1.796 5.122 155 3HG2 ILE 615 3HG2 ILE 615 168.061 0.814 4.563 156 1HD1 ILE 615 1HD1 ILE 615 170.436 5.198 3.585 157 2HD1 ILE 615 2HD1 ILE 615 170.690 3.559 4.183 158 3HD1 ILE 615 3HD1 ILE 615 169.586 4.644 5.027 159 H LEU 616 H LEU 616 170.721 -0.564 3.457 160 HA LEU 616 HA LEU 616 169.067 -2.111 1.571 161 1HB LEU 616 1HB LEU 616 171.952 -2.257 2.171 162 2HB LEU 616 2HB LEU 616 171.124 -3.800 2.070 163 HG LEU 616 HG LEU 616 171.028 -1.713 -0.105 164 1HD1 LEU 616 1HD1 LEU 616 172.930 -2.479 -0.994 165 2HD1 LEU 616 2HD1 LEU 616 172.532 -4.156 -0.625 166 3HD1 LEU 616 3HD1 LEU 616 173.261 -3.133 0.611 167 1HD2 LEU 616 1HD2 LEU 616 170.550 -4.587 -0.584 168 2HD2 LEU 616 2HD2 LEU 616 169.796 -3.173 -1.316 169 3HD2 LEU 616 3HD2 LEU 616 169.295 -3.707 0.288 170 H ASN 617 H ASN 617 168.294 -4.122 2.270 171 HA ASN 617 HA ASN 617 168.320 -4.503 5.193 172 1HB ASN 617 1HB ASN 617 166.093 -4.724 3.191 173 2HB ASN 617 2HB ASN 617 166.039 -5.673 4.674 174 1HD2 ASN 617 1HD2 ASN 617 166.210 -2.416 3.379 175 2HD2 ASN 617 2HD2 ASN 617 165.533 -1.631 4.761 176 H LYS 618 H LYS 618 169.311 -6.327 5.794 177 HA LYS 618 HA LYS 618 170.065 -8.309 3.889 178 1HB LYS 618 1HB LYS 618 170.228 -8.694 6.862 179 2HB LYS 618 2HB LYS 618 171.306 -9.299 5.612 180 1HG LYS 618 1HG LYS 618 172.002 -6.926 5.197 181 2HG LYS 618 2HG LYS 618 171.082 -6.481 6.635 182 1HD LYS 618 1HD LYS 618 173.268 -6.752 7.417 183 2HD LYS 618 2HD LYS 618 172.469 -8.267 7.842 184 1HE LYS 618 1HE LYS 618 174.178 -9.279 6.825 185 2HE LYS 618 2HE LYS 618 173.432 -8.763 5.315 186 1HZ LYS 618 1HZ LYS 618 174.786 -6.590 5.846 187 2HZ LYS 618 2HZ LYS 618 175.503 -7.899 5.051 188 3HZ LYS 618 3HZ LYS 618 175.762 -7.672 6.707 189 H ARG 619 H ARG 619 167.597 -8.499 3.388 190 HA ARG 619 HA ARG 619 165.926 -9.985 5.093 191 1HB ARG 619 1HB ARG 619 165.915 -9.745 2.079 192 2HB ARG 619 2HB ARG 619 164.621 -10.471 3.023 193 1HG ARG 619 1HG ARG 619 165.440 -7.733 3.773 194 2HG ARG 619 2HG ARG 619 164.598 -7.927 2.234 195 1HD ARG 619 1HD ARG 619 163.192 -9.496 4.085 196 2HD ARG 619 2HD ARG 619 163.549 -7.980 4.912 197 HE ARG 619 HE ARG 619 162.054 -6.931 3.543 198 1HH1 ARG 619 1HH1 ARG 619 162.904 -9.999 2.114 199 2HH1 ARG 619 2HH1 ARG 619 161.728 -9.879 0.850 200 1HH2 ARG 619 1HH2 ARG 619 160.505 -6.771 1.881 201 2HH2 ARG 619 2HH2 ARG 619 160.366 -8.045 0.717 202 H THR 620 H THR 620 168.277 -10.948 2.660 203 HA THR 620 HA THR 620 169.195 -12.953 2.106 204 HB THR 620 HB THR 620 169.709 -14.450 3.854 205 HG1 THR 620 HG1 THR 620 168.433 -14.838 5.541 206 1HG2 THR 620 1HG2 THR 620 169.478 -11.639 4.771 207 2HG2 THR 620 2HG2 THR 620 170.904 -12.653 4.562 208 3HG2 THR 620 3HG2 THR 620 169.858 -12.883 5.961 209 H THR 621 H THR 621 166.190 -12.446 1.825 210 HA THR 621 HA THR 621 165.560 -15.052 0.776 211 HB THR 621 HB THR 621 163.555 -15.438 2.047 212 HG1 THR 621 HG1 THR 621 162.979 -14.001 3.742 213 1HG2 THR 621 1HG2 THR 621 165.640 -16.197 3.130 214 2HG2 THR 621 2HG2 THR 621 164.347 -15.824 4.271 215 3HG2 THR 621 3HG2 THR 621 165.675 -14.687 4.041 216 H MET 622 H MET 622 165.861 -13.257 -0.919 217 HA MET 622 HA MET 622 163.790 -11.347 -1.268 218 1HB MET 622 1HB MET 622 166.118 -12.307 -2.819 219 2HB MET 622 2HB MET 622 164.812 -11.598 -3.758 220 1HG MET 622 1HG MET 622 165.705 -9.621 -3.321 221 2HG MET 622 2HG MET 622 165.164 -9.831 -1.657 222 1HE MET 622 1HE MET 622 167.616 -12.373 -0.830 223 2HE MET 622 2HE MET 622 166.411 -11.334 -0.071 224 3HE MET 622 3HE MET 622 168.126 -11.079 0.253 225 HA PRO 623 HA PRO 623 160.663 -14.050 -2.915 226 1HB PRO 623 1HB PRO 623 159.029 -12.152 -3.969 227 2HB PRO 623 2HB PRO 623 159.124 -12.484 -2.236 228 1HG PRO 623 1HG PRO 623 160.443 -10.315 -3.825 229 2HG PRO 623 2HG PRO 623 159.637 -10.215 -2.249 230 1HD PRO 623 1HD PRO 623 162.327 -10.326 -2.493 231 2HD PRO 623 2HD PRO 623 161.468 -11.048 -1.118 232 H LYS 624 H LYS 624 162.532 -11.816 -4.777 233 HA LYS 624 HA LYS 624 161.498 -12.673 -7.332 234 1HB LYS 624 1HB LYS 624 163.409 -11.275 -8.217 235 2HB LYS 624 2HB LYS 624 162.229 -10.415 -7.239 236 1HG LYS 624 1HG LYS 624 164.545 -11.504 -5.784 237 2HG LYS 624 2HG LYS 624 164.888 -10.200 -6.921 238 1HD LYS 624 1HD LYS 624 162.533 -9.699 -5.270 239 2HD LYS 624 2HD LYS 624 164.014 -9.891 -4.329 240 1HE LYS 624 1HE LYS 624 164.511 -7.781 -4.816 241 2HE LYS 624 2HE LYS 624 164.719 -8.274 -6.496 242 1HZ LYS 624 1HZ LYS 624 162.314 -7.866 -6.811 243 2HZ LYS 624 2HZ LYS 624 163.178 -6.469 -6.405 244 3HZ LYS 624 3HZ LYS 624 162.234 -7.247 -5.238 245 H GLU 625 H GLU 625 164.215 -13.401 -5.250 246 HA GLU 625 HA GLU 625 164.839 -15.701 -6.927 247 1HB GLU 625 1HB GLU 625 167.369 -15.004 -6.372 248 2HB GLU 625 2HB GLU 625 166.550 -14.527 -7.850 249 1HG GLU 625 1HG GLU 625 166.397 -12.350 -7.231 250 2HG GLU 625 2HG GLU 625 166.284 -12.730 -5.513 251 H SER 626 H SER 626 166.745 -14.249 -4.312 252 HA SER 626 HA SER 626 165.717 -15.696 -2.169 253 1HB SER 626 1HB SER 626 167.671 -17.183 -3.850 254 2HB SER 626 2HB SER 626 167.850 -17.309 -2.100 255 HG SER 626 HG SER 626 165.535 -17.853 -2.115 256 H GLY 627 H GLY 627 168.778 -14.667 -3.651 257 1HA GLY 627 1HA GLY 627 170.513 -13.411 -2.831 258 2HA GLY 627 2HA GLY 627 169.318 -12.667 -1.780 259 H ALA 628 H ALA 628 171.900 -12.988 -0.913 260 HA ALA 628 HA ALA 628 171.659 -15.184 1.037 261 1HB ALA 628 1HB ALA 628 173.513 -15.775 -0.223 262 2HB ALA 628 2HB ALA 628 174.226 -14.928 1.149 263 3HB ALA 628 3HB ALA 628 174.049 -14.104 -0.401 264 H LEU 629 H LEU 629 172.814 -11.881 0.529 265 HA LEU 629 HA LEU 629 172.418 -11.395 3.398 266 1HB LEU 629 1HB LEU 629 174.457 -9.789 1.953 267 2HB LEU 629 2HB LEU 629 174.365 -10.206 3.643 268 HG LEU 629 HG LEU 629 176.273 -11.270 2.697 269 1HD1 LEU 629 1HD1 LEU 629 174.592 -13.656 2.758 270 2HD1 LEU 629 2HD1 LEU 629 174.436 -12.584 4.149 271 3HD1 LEU 629 3HD1 LEU 629 176.018 -13.229 3.703 272 1HD2 LEU 629 1HD2 LEU 629 174.622 -11.596 0.404 273 2HD2 LEU 629 2HD2 LEU 629 175.245 -13.167 0.896 274 3HD2 LEU 629 3HD2 LEU 629 176.356 -11.842 0.571 275 H LEU 630 H LEU 630 173.421 -8.959 1.040 276 HA LEU 630 HA LEU 630 170.716 -7.822 1.215 277 1HB LEU 630 1HB LEU 630 172.340 -5.666 0.624 278 2HB LEU 630 2HB LEU 630 171.599 -6.023 2.169 279 HG LEU 630 HG LEU 630 174.355 -6.944 1.393 280 1HD1 LEU 630 1HD1 LEU 630 174.824 -5.090 3.242 281 2HD1 LEU 630 2HD1 LEU 630 173.384 -4.391 2.502 282 3HD1 LEU 630 3HD1 LEU 630 174.805 -4.735 1.515 283 1HD2 LEU 630 1HD2 LEU 630 174.471 -7.971 3.362 284 2HD2 LEU 630 2HD2 LEU 630 172.712 -7.843 3.393 285 3HD2 LEU 630 3HD2 LEU 630 173.700 -6.628 4.203 286 H GLY 631 H GLY 631 173.646 -8.091 -0.822 287 1HA GLY 631 1HA GLY 631 172.554 -8.847 -3.134 288 2HA GLY 631 2HA GLY 631 172.116 -7.152 -3.123 289 H LEU 632 H LEU 632 175.176 -7.698 -1.676 290 HA LEU 632 HA LEU 632 176.677 -7.716 -4.112 291 1HB LEU 632 1HB LEU 632 177.197 -5.556 -4.411 292 2HB LEU 632 2HB LEU 632 175.695 -5.282 -3.557 293 HG LEU 632 HG LEU 632 178.491 -5.096 -2.441 294 1HD1 LEU 632 1HD1 LEU 632 178.027 -2.792 -2.169 295 2HD1 LEU 632 2HD1 LEU 632 176.323 -3.018 -2.562 296 3HD1 LEU 632 3HD1 LEU 632 177.550 -3.211 -3.815 297 1HD2 LEU 632 1HD2 LEU 632 177.736 -5.309 -0.365 298 2HD2 LEU 632 2HD2 LEU 632 176.231 -5.924 -1.047 299 3HD2 LEU 632 3HD2 LEU 632 176.392 -4.210 -0.670 300 H LYS 633 H LYS 633 178.944 -7.874 -3.822 301 HA LYS 633 HA LYS 633 179.692 -8.708 -1.104 302 1HB LYS 633 1HB LYS 633 180.054 -9.951 -3.558 303 2HB LYS 633 2HB LYS 633 181.629 -9.251 -3.222 304 1HG LYS 633 1HG LYS 633 180.785 -10.447 -0.830 305 2HG LYS 633 2HG LYS 633 180.409 -11.591 -2.117 306 1HD LYS 633 1HD LYS 633 183.044 -10.345 -2.373 307 2HD LYS 633 2HD LYS 633 182.849 -11.311 -0.909 308 1HE LYS 633 1HE LYS 633 183.732 -12.565 -2.890 309 2HE LYS 633 2HE LYS 633 182.277 -13.248 -2.166 310 1HZ LYS 633 1HZ LYS 633 182.163 -13.208 -4.588 311 2HZ LYS 633 2HZ LYS 633 182.338 -11.527 -4.586 312 3HZ LYS 633 3HZ LYS 633 180.961 -12.232 -3.905 313 H VAL 634 H VAL 634 181.181 -7.575 0.034 314 HA VAL 634 HA VAL 634 182.616 -5.444 -1.409 315 HB VAL 634 HB VAL 634 181.202 -5.371 1.222 316 1HG1 VAL 634 1HG1 VAL 634 182.434 -3.238 1.720 317 2HG1 VAL 634 2HG1 VAL 634 183.585 -3.689 0.461 318 3HG1 VAL 634 3HG1 VAL 634 183.397 -4.707 1.887 319 1HG2 VAL 634 1HG2 VAL 634 181.030 -2.921 0.017 320 2HG2 VAL 634 2HG2 VAL 634 179.849 -4.223 -0.135 321 3HG2 VAL 634 3HG2 VAL 634 181.106 -4.020 -1.361 322 H VAL 635 H VAL 635 184.640 -4.829 -0.659 323 HA VAL 635 HA VAL 635 186.032 -6.909 0.884 324 HB VAL 635 HB VAL 635 186.671 -5.529 -1.620 325 1HG1 VAL 635 1HG1 VAL 635 188.813 -5.823 0.475 326 2HG1 VAL 635 2HG1 VAL 635 188.255 -4.328 -0.276 327 3HG1 VAL 635 3HG1 VAL 635 189.111 -5.532 -1.239 328 1HG2 VAL 635 1HG2 VAL 635 187.463 -7.569 -2.214 329 2HG2 VAL 635 2HG2 VAL 635 186.390 -8.051 -0.899 330 3HG2 VAL 635 3HG2 VAL 635 188.125 -7.904 -0.614 331 H GLY 636 H GLY 636 187.791 -6.206 2.252 332 1HA GLY 636 1HA GLY 636 187.522 -3.392 3.120 333 2HA GLY 636 2HA GLY 636 187.627 -4.717 4.271 334 H GLY 637 H GLY 637 189.360 -2.335 3.822 335 1HA GLY 637 1HA GLY 637 191.619 -2.006 4.237 336 2HA GLY 637 2HA GLY 637 191.875 -3.733 4.047 337 H LYS 638 H LYS 638 190.981 -0.897 2.085 338 HA LYS 638 HA LYS 638 192.838 -1.877 0.021 339 1HB LYS 638 1HB LYS 638 190.085 -0.695 -0.344 340 2HB LYS 638 2HB LYS 638 191.254 -0.816 -1.652 341 1HG LYS 638 1HG LYS 638 190.503 -3.240 -0.076 342 2HG LYS 638 2HG LYS 638 189.461 -2.654 -1.374 343 1HD LYS 638 1HD LYS 638 191.914 -2.607 -2.566 344 2HD LYS 638 2HD LYS 638 192.060 -4.008 -1.502 345 1HE LYS 638 1HE LYS 638 190.517 -5.209 -2.648 346 2HE LYS 638 2HE LYS 638 189.556 -3.789 -3.054 347 1HZ LYS 638 1HZ LYS 638 190.420 -4.360 -5.081 348 2HZ LYS 638 2HZ LYS 638 191.888 -4.907 -4.443 349 3HZ LYS 638 3HZ LYS 638 191.584 -3.248 -4.559 350 H MET 639 H MET 639 194.500 -0.510 0.606 351 HA MET 639 HA MET 639 194.277 2.197 1.258 352 1HB MET 639 1HB MET 639 196.299 0.702 1.550 353 2HB MET 639 2HB MET 639 196.627 0.941 -0.161 354 1HG MET 639 1HG MET 639 197.757 2.765 0.353 355 2HG MET 639 2HG MET 639 196.258 3.500 0.916 356 1HE MET 639 1HE MET 639 195.683 2.590 4.161 357 2HE MET 639 2HE MET 639 195.488 3.818 2.910 358 3HE MET 639 3HE MET 639 196.527 4.133 4.302 359 H THR 640 H THR 640 193.187 3.578 -0.004 360 HA THR 640 HA THR 640 193.312 3.442 -2.879 361 HB THR 640 HB THR 640 191.834 5.438 -2.783 362 HG1 THR 640 HG1 THR 640 192.790 6.158 -0.716 363 1HG2 THR 640 1HG2 THR 640 190.486 3.602 -2.790 364 2HG2 THR 640 2HG2 THR 640 190.034 4.321 -1.243 365 3HG2 THR 640 3HG2 THR 640 191.158 2.963 -1.290 366 H ASP 641 H ASP 641 193.493 5.799 -3.934 367 HA ASP 641 HA ASP 641 196.231 6.481 -3.772 368 1HB ASP 641 1HB ASP 641 193.874 7.409 -5.302 369 2HB ASP 641 2HB ASP 641 195.180 8.577 -5.125 370 H LEU 642 H LEU 642 193.511 7.519 -1.973 371 HA LEU 642 HA LEU 642 194.418 10.134 -1.307 372 1HB LEU 642 1HB LEU 642 192.456 8.280 0.038 373 2HB LEU 642 2HB LEU 642 192.765 9.917 0.579 374 HG LEU 642 HG LEU 642 190.775 9.980 -0.710 375 1HD1 LEU 642 1HD1 LEU 642 191.277 11.628 -2.273 376 2HD1 LEU 642 2HD1 LEU 642 192.828 10.898 -2.688 377 3HD1 LEU 642 3HD1 LEU 642 192.623 11.713 -1.137 378 1HD2 LEU 642 1HD2 LEU 642 192.166 8.787 -3.082 379 2HD2 LEU 642 2HD2 LEU 642 190.438 8.972 -2.785 380 3HD2 LEU 642 3HD2 LEU 642 191.365 7.773 -1.883 381 H GLY 643 H GLY 643 195.023 6.938 -0.054 382 1HA GLY 643 1HA GLY 643 197.099 6.556 1.131 383 2HA GLY 643 2HA GLY 643 196.900 8.131 1.883 384 H ARG 644 H ARG 644 194.027 6.301 1.661 385 HA ARG 644 HA ARG 644 194.374 5.285 4.397 386 1HB ARG 644 1HB ARG 644 191.914 6.703 3.357 387 2HB ARG 644 2HB ARG 644 192.102 6.004 4.959 388 1HG ARG 644 1HG ARG 644 194.175 7.631 5.049 389 2HG ARG 644 2HG ARG 644 193.243 8.501 3.829 390 1HD ARG 644 1HD ARG 644 192.124 7.640 6.490 391 2HD ARG 644 2HD ARG 644 192.841 9.224 6.200 392 HE ARG 644 HE ARG 644 190.970 9.037 4.259 393 1HH1 ARG 644 1HH1 ARG 644 190.863 8.586 7.718 394 2HH1 ARG 644 2HH1 ARG 644 189.214 9.094 7.859 395 1HH2 ARG 644 1HH2 ARG 644 188.801 9.707 4.443 396 2HH2 ARG 644 2HH2 ARG 644 188.043 9.731 6.001 397 H LEU 645 H LEU 645 192.559 3.728 4.976 398 HA LEU 645 HA LEU 645 192.258 1.862 2.753 399 1HB LEU 645 1HB LEU 645 191.827 1.560 5.723 400 2HB LEU 645 2HB LEU 645 191.501 0.289 4.560 401 HG LEU 645 HG LEU 645 194.191 1.517 5.160 402 1HD1 LEU 645 1HD1 LEU 645 194.688 -0.336 6.377 403 2HD1 LEU 645 2HD1 LEU 645 193.606 -1.372 5.448 404 3HD1 LEU 645 3HD1 LEU 645 192.949 -0.282 6.669 405 1HD2 LEU 645 1HD2 LEU 645 194.204 1.029 2.850 406 2HD2 LEU 645 2HD2 LEU 645 193.332 -0.486 3.088 407 3HD2 LEU 645 3HD2 LEU 645 195.000 -0.332 3.638 408 H GLY 646 H GLY 646 190.264 0.931 2.173 409 1HA GLY 646 1HA GLY 646 187.835 2.071 3.321 410 2HA GLY 646 2HA GLY 646 188.139 2.416 1.625 411 H ALA 647 H ALA 647 186.116 1.314 1.228 412 HA ALA 647 HA ALA 647 186.472 -1.608 1.153 413 1HB ALA 647 1HB ALA 647 183.846 -1.560 1.295 414 2HB ALA 647 2HB ALA 647 184.141 -0.018 2.099 415 3HB ALA 647 3HB ALA 647 184.838 -1.500 2.753 416 H PHE 648 H PHE 648 185.793 -2.667 -0.678 417 HA PHE 648 HA PHE 648 184.643 -1.043 -2.840 418 1HB PHE 648 1HB PHE 648 187.121 -2.751 -2.951 419 2HB PHE 648 2HB PHE 648 186.195 -2.378 -4.401 420 HD1 PHE 648 HD1 PHE 648 186.222 -0.185 -5.363 421 HD2 PHE 648 HD2 PHE 648 188.310 -0.995 -1.745 422 HE1 PHE 648 HE1 PHE 648 187.424 1.950 -5.583 423 HE2 PHE 648 HE2 PHE 648 189.515 1.139 -1.957 424 HZ PHE 648 HZ PHE 648 189.072 2.615 -3.879 425 H ILE 649 H ILE 649 183.252 -2.125 -4.217 426 HA ILE 649 HA ILE 649 182.230 -4.636 -3.209 427 HB ILE 649 HB ILE 649 181.284 -2.888 -5.485 428 1HG1 ILE 649 1HG1 ILE 649 179.782 -3.363 -2.938 429 2HG1 ILE 649 2HG1 ILE 649 181.116 -2.211 -2.945 430 1HG2 ILE 649 1HG2 ILE 649 180.680 -5.209 -5.895 431 2HG2 ILE 649 2HG2 ILE 649 179.255 -4.257 -5.483 432 3HG2 ILE 649 3HG2 ILE 649 179.979 -5.325 -4.281 433 1HD1 ILE 649 1HD1 ILE 649 180.026 -0.764 -4.376 434 2HD1 ILE 649 2HD1 ILE 649 178.715 -1.373 -3.370 435 3HD1 ILE 649 3HD1 ILE 649 178.953 -2.018 -4.994 436 H THR 650 H THR 650 182.897 -6.548 -3.902 437 HA THR 650 HA THR 650 184.577 -6.766 -6.232 438 HB THR 650 HB THR 650 185.095 -8.928 -5.517 439 HG1 THR 650 HG1 THR 650 183.747 -10.164 -4.233 440 1HG2 THR 650 1HG2 THR 650 184.463 -8.399 -2.777 441 2HG2 THR 650 2HG2 THR 650 185.062 -6.935 -3.558 442 3HG2 THR 650 3HG2 THR 650 186.030 -8.409 -3.587 443 H LYS 651 H LYS 651 181.248 -7.521 -5.422 444 HA LYS 651 HA LYS 651 180.550 -7.766 -8.165 445 1HB LYS 651 1HB LYS 651 179.987 -10.070 -8.324 446 2HB LYS 651 2HB LYS 651 181.636 -9.991 -7.723 447 1HG LYS 651 1HG LYS 651 180.891 -10.472 -5.479 448 2HG LYS 651 2HG LYS 651 179.204 -10.421 -5.999 449 1HD LYS 651 1HD LYS 651 181.141 -12.314 -7.280 450 2HD LYS 651 2HD LYS 651 180.375 -12.717 -5.743 451 1HE LYS 651 1HE LYS 651 178.172 -12.419 -6.765 452 2HE LYS 651 2HE LYS 651 178.937 -12.014 -8.300 453 1HZ LYS 651 1HZ LYS 651 179.036 -14.620 -6.885 454 2HZ LYS 651 2HZ LYS 651 179.976 -14.253 -8.242 455 3HZ LYS 651 3HZ LYS 651 178.290 -14.287 -8.366 456 H VAL 652 H VAL 652 178.321 -7.887 -8.534 457 HA VAL 652 HA VAL 652 176.645 -7.547 -6.128 458 HB VAL 652 HB VAL 652 175.219 -6.275 -8.096 459 1HG1 VAL 652 1HG1 VAL 652 175.688 -5.573 -5.741 460 2HG1 VAL 652 2HG1 VAL 652 175.677 -4.264 -6.923 461 3HG1 VAL 652 3HG1 VAL 652 177.210 -4.892 -6.317 462 1HG2 VAL 652 1HG2 VAL 652 177.280 -6.486 -9.556 463 2HG2 VAL 652 2HG2 VAL 652 178.047 -5.330 -8.468 464 3HG2 VAL 652 3HG2 VAL 652 176.606 -4.866 -9.374 465 H LYS 653 H LYS 653 174.765 -8.671 -6.021 466 HA LYS 653 HA LYS 653 174.355 -10.751 -7.995 467 1HB LYS 653 1HB LYS 653 172.931 -10.126 -5.402 468 2HB LYS 653 2HB LYS 653 172.564 -11.509 -6.424 469 1HG LYS 653 1HG LYS 653 174.639 -12.518 -5.991 470 2HG LYS 653 2HG LYS 653 175.312 -11.033 -5.318 471 1HD LYS 653 1HD LYS 653 174.657 -11.647 -3.286 472 2HD LYS 653 2HD LYS 653 172.980 -11.700 -3.832 473 1HE LYS 653 1HE LYS 653 173.125 -13.877 -3.283 474 2HE LYS 653 2HE LYS 653 173.915 -14.025 -4.852 475 1HZ LYS 653 1HZ LYS 653 175.513 -14.982 -3.613 476 2HZ LYS 653 2HZ LYS 653 175.043 -14.211 -2.182 477 3HZ LYS 653 3HZ LYS 653 175.988 -13.384 -3.317 478 H LYS 654 H LYS 654 173.356 -10.141 -9.813 479 HA LYS 654 HA LYS 654 171.602 -7.982 -10.095 480 1HB LYS 654 1HB LYS 654 172.391 -10.310 -11.745 481 2HB LYS 654 2HB LYS 654 170.867 -9.542 -12.171 482 1HG LYS 654 1HG LYS 654 171.866 -7.665 -12.932 483 2HG LYS 654 2HG LYS 654 173.168 -7.743 -11.744 484 1HD LYS 654 1HD LYS 654 174.083 -8.122 -13.942 485 2HD LYS 654 2HD LYS 654 174.157 -9.626 -13.020 486 1HE LYS 654 1HE LYS 654 172.088 -10.375 -14.134 487 2HE LYS 654 2HE LYS 654 172.090 -8.895 -15.093 488 1HZ LYS 654 1HZ LYS 654 174.276 -10.906 -15.106 489 2HZ LYS 654 2HZ LYS 654 174.147 -9.547 -16.106 490 3HZ LYS 654 3HZ LYS 654 173.045 -10.820 -16.265 491 H GLY 655 H GLY 655 169.809 -7.835 -8.871 492 1HA GLY 655 1HA GLY 655 167.408 -8.519 -9.103 493 2HA GLY 655 2HA GLY 655 167.984 -10.160 -8.857 494 H SER 656 H SER 656 169.980 -8.974 -6.860 495 HA SER 656 HA SER 656 168.349 -9.405 -4.551 496 1HB SER 656 1HB SER 656 171.234 -8.541 -4.840 497 2HB SER 656 2HB SER 656 170.460 -8.911 -3.299 498 HG SER 656 HG SER 656 170.068 -11.023 -4.103 499 H LEU 657 H LEU 657 168.694 -7.820 -2.631 500 HA LEU 657 HA LEU 657 167.284 -5.483 -3.168 501 1HB LEU 657 1HB LEU 657 169.125 -5.838 -0.820 502 2HB LEU 657 2HB LEU 657 167.668 -4.870 -0.904 503 HG LEU 657 HG LEU 657 166.983 -7.587 -1.474 504 1HD1 LEU 657 1HD1 LEU 657 168.779 -8.488 -0.328 505 2HD1 LEU 657 2HD1 LEU 657 167.546 -8.377 0.927 506 3HD1 LEU 657 3HD1 LEU 657 168.829 -7.168 0.841 507 1HD2 LEU 657 1HD2 LEU 657 165.903 -7.073 0.940 508 2HD2 LEU 657 2HD2 LEU 657 165.235 -6.479 -0.580 509 3HD2 LEU 657 3HD2 LEU 657 166.264 -5.432 0.401 510 H ALA 658 H ALA 658 170.731 -5.827 -2.410 511 HA ALA 658 HA ALA 658 171.553 -3.223 -2.536 512 1HB ALA 658 1HB ALA 658 173.284 -5.254 -3.846 513 2HB ALA 658 2HB ALA 658 172.861 -5.470 -2.148 514 3HB ALA 658 3HB ALA 658 173.696 -4.007 -2.670 515 H ASP 659 H ASP 659 170.670 -5.287 -5.204 516 HA ASP 659 HA ASP 659 171.714 -3.438 -7.176 517 1HB ASP 659 1HB ASP 659 171.515 -6.081 -7.275 518 2HB ASP 659 2HB ASP 659 169.931 -5.698 -7.942 519 H VAL 660 H VAL 660 168.523 -4.698 -6.279 520 HA VAL 660 HA VAL 660 167.108 -2.978 -8.039 521 HB VAL 660 HB VAL 660 165.117 -3.598 -6.490 522 1HG1 VAL 660 1HG1 VAL 660 164.664 -5.252 -7.951 523 2HG1 VAL 660 2HG1 VAL 660 166.210 -6.058 -7.688 524 3HG1 VAL 660 3HG1 VAL 660 166.116 -4.654 -8.752 525 1HG2 VAL 660 1HG2 VAL 660 165.447 -4.941 -4.741 526 2HG2 VAL 660 2HG2 VAL 660 167.169 -4.611 -4.921 527 3HG2 VAL 660 3HG2 VAL 660 166.462 -6.035 -5.683 528 H VAL 661 H VAL 661 167.707 -2.807 -4.522 529 HA VAL 661 HA VAL 661 166.473 -0.152 -4.504 530 HB VAL 661 HB VAL 661 165.737 -1.715 -2.767 531 1HG1 VAL 661 1HG1 VAL 661 168.652 -1.874 -2.226 532 2HG1 VAL 661 2HG1 VAL 661 167.421 -3.136 -2.183 533 3HG1 VAL 661 3HG1 VAL 661 167.545 -1.978 -0.859 534 1HG2 VAL 661 1HG2 VAL 661 165.585 -0.127 -1.134 535 2HG2 VAL 661 2HG2 VAL 661 166.143 0.880 -2.470 536 3HG2 VAL 661 3HG2 VAL 661 167.287 0.317 -1.251 537 H GLY 662 H GLY 662 169.577 -1.721 -4.117 538 1HA GLY 662 1HA GLY 662 170.861 0.656 -3.086 539 2HA GLY 662 2HA GLY 662 171.655 -0.846 -3.535 540 H HIS 663 H HIS 663 171.128 -1.205 -6.110 541 HA HIS 663 HA HIS 663 171.632 -0.582 -8.230 542 1HB HIS 663 1HB HIS 663 170.469 1.810 -7.059 543 2HB HIS 663 2HB HIS 663 171.647 2.202 -8.306 544 HD1 HIS 663 HD1 HIS 663 171.065 1.575 -10.728 545 HD2 HIS 663 HD2 HIS 663 168.155 0.493 -7.967 546 HE1 HIS 663 HE1 HIS 663 169.042 0.957 -12.090 547 HE2 HIS 663 HE2 HIS 663 167.325 0.220 -10.401 548 H LEU 664 H LEU 664 173.799 -1.379 -7.325 549 HA LEU 664 HA LEU 664 175.786 0.618 -8.059 550 1HB LEU 664 1HB LEU 664 177.249 -0.390 -6.138 551 2HB LEU 664 2HB LEU 664 176.150 0.938 -5.824 552 HG LEU 664 HG LEU 664 176.158 -0.834 -4.076 553 1HD1 LEU 664 1HD1 LEU 664 174.156 0.696 -4.856 554 2HD1 LEU 664 2HD1 LEU 664 173.958 -0.526 -3.599 555 3HD1 LEU 664 3HD1 LEU 664 173.440 -0.864 -5.249 556 1HD2 LEU 664 1HD2 LEU 664 175.525 -2.986 -4.447 557 2HD2 LEU 664 2HD2 LEU 664 176.291 -2.633 -5.998 558 3HD2 LEU 664 3HD2 LEU 664 174.533 -2.574 -5.847 559 H ARG 665 H ARG 665 178.023 -0.530 -8.170 560 HA ARG 665 HA ARG 665 177.722 -3.302 -9.052 561 1HB ARG 665 1HB ARG 665 178.776 -1.036 -10.738 562 2HB ARG 665 2HB ARG 665 179.117 -2.724 -11.094 563 1HG ARG 665 1HG ARG 665 177.089 -3.072 -11.966 564 2HG ARG 665 2HG ARG 665 176.278 -2.151 -10.697 565 1HD ARG 665 1HD ARG 665 175.872 -0.914 -12.633 566 2HD ARG 665 2HD ARG 665 177.224 -0.078 -11.873 567 HE ARG 665 HE ARG 665 178.567 -0.693 -13.633 568 1HH1 ARG 665 1HH1 ARG 665 175.568 -2.475 -13.792 569 2HH1 ARG 665 2HH1 ARG 665 175.877 -3.095 -15.378 570 1HH2 ARG 665 1HH2 ARG 665 178.973 -1.509 -15.719 571 2HH2 ARG 665 2HH2 ARG 665 177.809 -2.548 -16.473 572 H ALA 666 H ALA 666 179.815 -4.377 -9.430 573 HA ALA 666 HA ALA 666 181.533 -4.107 -7.267 574 1HB ALA 666 1HB ALA 666 182.459 -5.267 -9.868 575 2HB ALA 666 2HB ALA 666 181.226 -6.075 -8.899 576 3HB ALA 666 3HB ALA 666 182.830 -5.785 -8.224 577 H GLY 667 H GLY 667 183.059 -2.683 -6.788 578 1HA GLY 667 1HA GLY 667 185.185 -1.681 -7.662 579 2HA GLY 667 2HA GLY 667 184.203 -1.083 -8.993 580 H ASP 668 H ASP 668 181.956 -0.632 -7.020 581 HA ASP 668 HA ASP 668 182.429 2.104 -6.538 582 1HB ASP 668 1HB ASP 668 180.280 0.196 -6.093 583 2HB ASP 668 2HB ASP 668 180.411 1.347 -4.767 584 H GLU 669 H GLU 669 183.050 3.224 -4.741 585 HA GLU 669 HA GLU 669 184.333 1.634 -2.643 586 1HB GLU 669 1HB GLU 669 185.504 3.500 -4.020 587 2HB GLU 669 2HB GLU 669 184.635 4.603 -2.964 588 1HG GLU 669 1HG GLU 669 185.675 3.487 -1.016 589 2HG GLU 669 2HG GLU 669 186.618 2.500 -2.133 590 H VAL 670 H VAL 670 183.103 1.260 -0.913 591 HA VAL 670 HA VAL 670 181.087 3.214 -0.119 592 HB VAL 670 HB VAL 670 181.621 0.386 0.791 593 1HG1 VAL 670 1HG1 VAL 670 179.366 0.804 2.039 594 2HG1 VAL 670 2HG1 VAL 670 179.878 2.492 2.003 595 3HG1 VAL 670 3HG1 VAL 670 180.890 1.280 2.789 596 1HG2 VAL 670 1HG2 VAL 670 180.429 0.910 -1.405 597 2HG2 VAL 670 2HG2 VAL 670 179.103 1.503 -0.403 598 3HG2 VAL 670 3HG2 VAL 670 179.616 -0.181 -0.282 599 H LEU 671 H LEU 671 181.889 4.833 1.072 600 HA LEU 671 HA LEU 671 184.051 4.369 2.948 601 1HB LEU 671 1HB LEU 671 182.519 6.923 2.479 602 2HB LEU 671 2HB LEU 671 184.071 6.753 3.274 603 HG LEU 671 HG LEU 671 184.650 7.591 1.194 604 1HD1 LEU 671 1HD1 LEU 671 186.102 6.046 0.465 605 2HD1 LEU 671 2HD1 LEU 671 184.845 4.839 0.195 606 3HD1 LEU 671 3HD1 LEU 671 185.492 5.092 1.816 607 1HD2 LEU 671 1HD2 LEU 671 182.152 6.691 0.403 608 2HD2 LEU 671 2HD2 LEU 671 183.278 5.793 -0.615 609 3HD2 LEU 671 3HD2 LEU 671 183.325 7.556 -0.591 610 H GLU 672 H GLU 672 180.880 3.736 3.123 611 HA GLU 672 HA GLU 672 180.860 4.013 6.017 612 1HB GLU 672 1HB GLU 672 178.811 5.277 4.209 613 2HB GLU 672 2HB GLU 672 178.534 4.989 5.920 614 1HG GLU 672 1HG GLU 672 180.461 6.412 6.455 615 2HG GLU 672 2HG GLU 672 180.684 6.729 4.736 616 H TRP 673 H TRP 673 180.054 2.243 6.929 617 HA TRP 673 HA TRP 673 178.101 0.625 5.438 618 1HB TRP 673 1HB TRP 673 180.469 -0.321 5.377 619 2HB TRP 673 2HB TRP 673 180.305 -0.582 7.110 620 HD1 TRP 673 HD1 TRP 673 178.316 -2.348 7.865 621 HE1 TRP 673 HE1 TRP 673 177.451 -4.443 6.644 622 HE3 TRP 673 HE3 TRP 673 180.028 -1.310 3.163 623 HZ2 TRP 673 HZ2 TRP 673 177.505 -5.520 4.025 624 HZ3 TRP 673 HZ3 TRP 673 179.572 -2.917 1.363 625 HH2 TRP 673 HH2 TRP 673 178.337 -4.983 1.787 626 H ASN 674 H ASN 674 176.282 0.577 6.588 627 HA ASN 674 HA ASN 674 174.828 0.382 8.327 628 1HB ASN 674 1HB ASN 674 176.329 -1.548 8.955 629 2HB ASN 674 2HB ASN 674 177.193 -0.443 10.019 630 1HD2 ASN 674 1HD2 ASN 674 173.997 -1.772 9.342 631 2HD2 ASN 674 2HD2 ASN 674 173.427 -1.706 10.971 632 H GLY 675 H GLY 675 176.039 2.861 7.736 633 1HA GLY 675 1HA GLY 675 175.989 4.996 8.581 634 2HA GLY 675 2HA GLY 675 175.294 4.330 10.049 635 H LYS 676 H LYS 676 178.309 2.958 9.119 636 HA LYS 676 HA LYS 676 179.634 4.578 11.192 637 1HB LYS 676 1HB LYS 676 180.245 2.655 12.145 638 2HB LYS 676 2HB LYS 676 179.391 1.763 10.900 639 1HG LYS 676 1HG LYS 676 181.311 0.952 10.149 640 2HG LYS 676 2HG LYS 676 181.915 2.580 9.822 641 1HD LYS 676 1HD LYS 676 183.399 1.320 11.327 642 2HD LYS 676 2HD LYS 676 182.730 2.753 12.108 643 1HE LYS 676 1HE LYS 676 181.338 1.519 13.480 644 2HE LYS 676 2HE LYS 676 181.347 0.123 12.404 645 1HZ LYS 676 1HZ LYS 676 182.656 -0.474 14.235 646 2HZ LYS 676 2HZ LYS 676 183.474 1.006 14.262 647 3HZ LYS 676 3HZ LYS 676 183.772 -0.101 13.019 648 HA PRO 677 HA PRO 677 182.516 5.753 8.053 649 1HB PRO 677 1HB PRO 677 184.480 6.781 9.547 650 2HB PRO 677 2HB PRO 677 182.886 7.545 9.492 651 1HG PRO 677 1HG PRO 677 184.091 5.821 11.609 652 2HG PRO 677 2HG PRO 677 183.038 7.236 11.777 653 1HD PRO 677 1HD PRO 677 182.221 4.570 11.919 654 2HD PRO 677 2HD PRO 677 181.157 5.964 11.659 655 H LEU 678 H LEU 678 183.597 4.305 6.922 656 HA LEU 678 HA LEU 678 185.223 2.271 8.196 657 1HB LEU 678 1HB LEU 678 184.668 2.653 5.261 658 2HB LEU 678 2HB LEU 678 185.318 1.219 6.035 659 HG LEU 678 HG LEU 678 182.560 2.286 6.617 660 1HD1 LEU 678 1HD1 LEU 678 181.862 1.516 4.664 661 2HD1 LEU 678 2HD1 LEU 678 182.422 -0.094 5.113 662 3HD1 LEU 678 3HD1 LEU 678 183.496 1.003 4.246 663 1HD2 LEU 678 1HD2 LEU 678 184.200 0.171 7.698 664 2HD2 LEU 678 2HD2 LEU 678 182.710 -0.474 7.008 665 3HD2 LEU 678 3HD2 LEU 678 182.636 0.779 8.249 666 HA PRO 679 HA PRO 679 188.276 4.839 5.080 667 1HB PRO 679 1HB PRO 679 187.474 7.299 6.600 668 2HB PRO 679 2HB PRO 679 188.139 7.158 4.966 669 1HG PRO 679 1HG PRO 679 185.533 7.530 5.322 670 2HG PRO 679 2HG PRO 679 186.125 6.428 4.066 671 1HD PRO 679 1HD PRO 679 184.835 5.816 6.666 672 2HD PRO 679 2HD PRO 679 184.823 4.887 5.154 673 H GLY 680 H GLY 680 190.021 3.994 6.009 674 1HA GLY 680 1HA GLY 680 191.934 4.516 7.422 675 2HA GLY 680 2HA GLY 680 190.801 5.012 8.669 676 H ALA 681 H ALA 681 189.204 2.488 7.711 677 HA ALA 681 HA ALA 681 190.514 0.706 9.618 678 1HB ALA 681 1HB ALA 681 187.775 1.179 8.756 679 2HB ALA 681 2HB ALA 681 188.386 0.495 10.262 680 3HB ALA 681 3HB ALA 681 188.181 -0.534 8.844 681 H THR 682 H THR 682 191.243 -1.328 9.125 682 HA THR 682 HA THR 682 191.733 -1.843 6.303 683 HB THR 682 HB THR 682 193.654 -2.045 7.716 684 HG1 THR 682 HG1 THR 682 194.040 -3.650 6.423 685 1HG2 THR 682 1HG2 THR 682 191.901 -3.722 9.441 686 2HG2 THR 682 2HG2 THR 682 192.977 -2.395 9.879 687 3HG2 THR 682 3HG2 THR 682 193.648 -3.964 9.437 688 H ASN 683 H ASN 683 191.871 -4.472 6.012 689 HA ASN 683 HA ASN 683 189.305 -5.326 5.533 690 1HB ASN 683 1HB ASN 683 190.239 -7.594 5.315 691 2HB ASN 683 2HB ASN 683 191.267 -6.393 4.540 692 1HD2 ASN 683 1HD2 ASN 683 193.312 -6.098 5.248 693 2HD2 ASN 683 2HD2 ASN 683 194.043 -7.028 6.508 694 H GLU 684 H GLU 684 191.306 -6.079 8.379 695 HA GLU 684 HA GLU 684 189.401 -7.732 9.634 696 1HB GLU 684 1HB GLU 684 190.728 -7.303 11.708 697 2HB GLU 684 2HB GLU 684 191.690 -7.846 10.341 698 1HG GLU 684 1HG GLU 684 192.594 -5.711 9.989 699 2HG GLU 684 2HG GLU 684 191.384 -4.941 11.014 700 H GLU 685 H GLU 685 189.978 -4.263 9.788 701 HA GLU 685 HA GLU 685 188.208 -3.708 11.910 702 1HB GLU 685 1HB GLU 685 189.230 -2.049 9.610 703 2HB GLU 685 2HB GLU 685 188.098 -1.398 10.788 704 1HG GLU 685 1HG GLU 685 190.021 -2.474 12.392 705 2HG GLU 685 2HG GLU 685 190.964 -1.910 11.013 706 H VAL 686 H VAL 686 187.732 -3.258 8.412 707 HA VAL 686 HA VAL 686 185.060 -2.694 8.337 708 HB VAL 686 HB VAL 686 186.633 -4.395 6.401 709 1HG1 VAL 686 1HG1 VAL 686 184.926 -3.931 4.762 710 2HG1 VAL 686 2HG1 VAL 686 184.017 -2.971 5.930 711 3HG1 VAL 686 3HG1 VAL 686 184.195 -4.709 6.165 712 1HG2 VAL 686 1HG2 VAL 686 185.888 -1.614 5.763 713 2HG2 VAL 686 2HG2 VAL 686 187.374 -2.500 5.423 714 3HG2 VAL 686 3HG2 VAL 686 187.099 -1.822 7.028 715 H TYR 687 H TYR 687 186.577 -5.887 8.513 716 HA TYR 687 HA TYR 687 184.392 -7.523 8.181 717 1HB TYR 687 1HB TYR 687 186.747 -7.857 10.042 718 2HB TYR 687 2HB TYR 687 185.580 -9.131 9.717 719 HD1 TYR 687 HD1 TYR 687 185.461 -7.959 6.663 720 HD2 TYR 687 HD2 TYR 687 188.462 -9.503 9.251 721 HE1 TYR 687 HE1 TYR 687 186.776 -8.656 4.709 722 HE2 TYR 687 HE2 TYR 687 189.786 -10.204 7.303 723 HH TYR 687 HH TYR 687 188.580 -10.462 4.254 724 H ASN 688 H ASN 688 185.455 -5.929 11.151 725 HA ASN 688 HA ASN 688 183.473 -7.034 12.831 726 1HB ASN 688 1HB ASN 688 185.345 -4.716 12.998 727 2HB ASN 688 2HB ASN 688 184.008 -4.786 14.142 728 1HD2 ASN 688 1HD2 ASN 688 186.829 -6.494 12.946 729 2HD2 ASN 688 2HD2 ASN 688 187.091 -7.441 14.366 730 H ILE 689 H ILE 689 183.594 -4.049 10.935 731 HA ILE 689 HA ILE 689 181.229 -2.877 11.857 732 HB ILE 689 HB ILE 689 182.635 -2.669 9.197 733 1HG1 ILE 689 1HG1 ILE 689 182.857 -0.250 10.319 734 2HG1 ILE 689 2HG1 ILE 689 182.693 -1.211 11.786 735 1HG2 ILE 689 1HG2 ILE 689 180.189 -1.210 10.164 736 2HG2 ILE 689 2HG2 ILE 689 180.398 -2.123 8.668 737 3HG2 ILE 689 3HG2 ILE 689 181.236 -0.587 8.889 738 1HD1 ILE 689 1HD1 ILE 689 184.561 -2.506 10.115 739 2HD1 ILE 689 2HD1 ILE 689 184.834 -1.725 11.670 740 3HD1 ILE 689 3HD1 ILE 689 184.986 -0.798 10.177 741 H ILE 690 H ILE 690 181.626 -4.519 8.717 742 HA ILE 690 HA ILE 690 178.947 -4.720 8.081 743 HB ILE 690 HB ILE 690 181.084 -6.720 7.341 744 1HG1 ILE 690 1HG1 ILE 690 180.408 -3.975 6.329 745 2HG1 ILE 690 2HG1 ILE 690 181.985 -4.669 6.679 746 1HG2 ILE 690 1HG2 ILE 690 179.718 -7.192 5.408 747 2HG2 ILE 690 2HG2 ILE 690 178.552 -5.959 5.887 748 3HG2 ILE 690 3HG2 ILE 690 178.752 -7.411 6.868 749 1HD1 ILE 690 1HD1 ILE 690 181.114 -6.247 4.635 750 2HD1 ILE 690 2HD1 ILE 690 182.168 -4.843 4.469 751 3HD1 ILE 690 3HD1 ILE 690 180.435 -4.677 4.215 752 H LEU 691 H LEU 691 180.956 -7.262 9.609 753 HA LEU 691 HA LEU 691 179.005 -9.182 9.951 754 1HB LEU 691 1HB LEU 691 181.449 -8.465 11.515 755 2HB LEU 691 2HB LEU 691 180.371 -9.704 12.123 756 HG LEU 691 HG LEU 691 180.882 -11.187 10.432 757 1HD1 LEU 691 1HD1 LEU 691 180.357 -9.675 8.572 758 2HD1 LEU 691 2HD1 LEU 691 181.829 -10.601 8.275 759 3HD1 LEU 691 3HD1 LEU 691 181.935 -8.909 8.761 760 1HD2 LEU 691 1HD2 LEU 691 183.268 -9.523 11.110 761 2HD2 LEU 691 2HD2 LEU 691 183.421 -10.884 9.998 762 3HD2 LEU 691 3HD2 LEU 691 182.848 -11.150 11.645 763 H GLU 692 H GLU 692 179.880 -6.595 12.203 764 HA GLU 692 HA GLU 692 178.026 -7.166 14.204 765 1HB GLU 692 1HB GLU 692 179.478 -4.707 13.337 766 2HB GLU 692 2HB GLU 692 178.165 -4.534 14.493 767 1HG GLU 692 1HG GLU 692 180.336 -6.534 14.957 768 2HG GLU 692 2HG GLU 692 180.580 -4.833 15.349 769 H SER 693 H SER 693 177.599 -5.726 11.085 770 HA SER 693 HA SER 693 174.912 -4.792 11.738 771 1HB SER 693 1HB SER 693 176.141 -3.223 10.438 772 2HB SER 693 2HB SER 693 176.662 -4.466 9.302 773 HG SER 693 HG SER 693 173.940 -3.794 9.683 774 H LYS 694 H LYS 694 176.390 -7.593 10.561 775 HA LYS 694 HA LYS 694 174.594 -8.443 8.588 776 1HB LYS 694 1HB LYS 694 176.492 -9.813 10.428 777 2HB LYS 694 2HB LYS 694 175.292 -10.799 9.609 778 1HG LYS 694 1HG LYS 694 176.186 -9.431 7.509 779 2HG LYS 694 2HG LYS 694 177.631 -9.359 8.519 780 1HD LYS 694 1HD LYS 694 176.275 -11.985 8.235 781 2HD LYS 694 2HD LYS 694 177.169 -11.371 6.843 782 1HE LYS 694 1HE LYS 694 179.007 -12.199 7.786 783 2HE LYS 694 2HE LYS 694 178.862 -10.928 8.999 784 1HZ LYS 694 1HZ LYS 694 177.171 -12.752 9.963 785 2HZ LYS 694 2HZ LYS 694 178.803 -12.665 10.398 786 3HZ LYS 694 3HZ LYS 694 178.303 -13.763 9.214 787 H SER 695 H SER 695 174.288 -8.277 12.033 788 HA SER 695 HA SER 695 171.917 -9.974 12.039 789 1HB SER 695 1HB SER 695 173.868 -9.721 13.881 790 2HB SER 695 2HB SER 695 172.721 -8.535 14.505 791 HG SER 695 HG SER 695 171.125 -10.230 14.398 792 H GLU 696 H GLU 696 172.575 -6.781 11.403 793 HA GLU 696 HA GLU 696 170.291 -5.641 12.745 794 1HB GLU 696 1HB GLU 696 172.630 -4.659 11.340 795 2HB GLU 696 2HB GLU 696 171.173 -3.823 10.815 796 1HG GLU 696 1HG GLU 696 171.121 -4.020 13.650 797 2HG GLU 696 2HG GLU 696 172.700 -3.410 13.157 798 HA PRO 697 HA PRO 697 167.395 -6.838 9.564 799 1HB PRO 697 1HB PRO 697 165.822 -4.562 10.625 800 2HB PRO 697 2HB PRO 697 165.366 -6.258 10.443 801 1HG PRO 697 1HG PRO 697 165.892 -5.227 12.848 802 2HG PRO 697 2HG PRO 697 166.375 -6.881 12.431 803 1HD PRO 697 1HD PRO 697 168.037 -4.399 12.579 804 2HD PRO 697 2HD PRO 697 168.437 -6.057 13.071 805 H GLN 698 H GLN 698 168.865 -3.738 9.908 806 HA GLN 698 HA GLN 698 168.364 -3.205 7.082 807 1HB GLN 698 1HB GLN 698 166.774 -1.957 8.846 808 2HB GLN 698 2HB GLN 698 168.139 -0.851 8.878 809 1HG GLN 698 1HG GLN 698 167.953 -0.447 6.531 810 2HG GLN 698 2HG GLN 698 166.737 -1.711 6.362 811 1HE2 GLN 698 1HE2 GLN 698 167.284 1.561 6.853 812 2HE2 GLN 698 2HE2 GLN 698 165.678 2.029 7.282 813 H VAL 699 H VAL 699 169.853 -1.700 6.136 814 HA VAL 699 HA VAL 699 172.186 -0.994 7.754 815 HB VAL 699 HB VAL 699 172.322 -2.598 5.198 816 1HG1 VAL 699 1HG1 VAL 699 174.783 -2.446 5.461 817 2HG1 VAL 699 2HG1 VAL 699 174.541 -1.267 6.750 818 3HG1 VAL 699 3HG1 VAL 699 174.027 -0.891 5.103 819 1HG2 VAL 699 1HG2 VAL 699 172.157 -4.238 6.747 820 2HG2 VAL 699 2HG2 VAL 699 172.702 -3.199 8.064 821 3HG2 VAL 699 3HG2 VAL 699 173.876 -3.904 6.954 822 H GLU 700 H GLU 700 173.464 0.675 6.890 823 HA GLU 700 HA GLU 700 172.322 2.106 4.589 824 1HB GLU 700 1HB GLU 700 171.590 3.235 6.634 825 2HB GLU 700 2HB GLU 700 173.253 3.327 7.197 826 1HG GLU 700 1HG GLU 700 173.831 4.920 5.584 827 2HG GLU 700 2HG GLU 700 172.390 4.594 4.622 828 H ILE 701 H ILE 701 173.849 1.925 3.059 829 HA ILE 701 HA ILE 701 176.651 2.326 3.869 830 HB ILE 701 HB ILE 701 177.033 1.210 1.505 831 1HG1 ILE 701 1HG1 ILE 701 174.352 0.115 2.387 832 2HG1 ILE 701 2HG1 ILE 701 174.695 0.986 0.896 833 1HG2 ILE 701 1HG2 ILE 701 176.421 -0.205 4.087 834 2HG2 ILE 701 2HG2 ILE 701 177.990 0.337 3.487 835 3HG2 ILE 701 3HG2 ILE 701 177.154 -0.998 2.691 836 1HD1 ILE 701 1HD1 ILE 701 176.091 -1.584 1.508 837 2HD1 ILE 701 2HD1 ILE 701 175.789 -0.819 -0.053 838 3HD1 ILE 701 3HD1 ILE 701 174.462 -1.575 0.829 839 H ILE 702 H ILE 702 177.865 3.829 2.903 840 HA ILE 702 HA ILE 702 176.583 5.462 0.809 841 HB ILE 702 HB ILE 702 178.714 6.470 2.678 842 1HG1 ILE 702 1HG1 ILE 702 176.932 5.764 4.138 843 2HG1 ILE 702 2HG1 ILE 702 176.846 7.516 3.990 844 1HG2 ILE 702 1HG2 ILE 702 178.305 8.530 1.820 845 2HG2 ILE 702 2HG2 ILE 702 176.601 8.189 1.517 846 3HG2 ILE 702 3HG2 ILE 702 177.834 7.563 0.421 847 1HD1 ILE 702 1HD1 ILE 702 174.902 7.444 2.759 848 2HD1 ILE 702 2HD1 ILE 702 174.684 6.099 3.879 849 3HD1 ILE 702 3HD1 ILE 702 175.178 5.789 2.215 850 H VAL 703 H VAL 703 177.818 6.125 -0.948 851 HA VAL 703 HA VAL 703 180.528 4.986 -1.125 852 HB VAL 703 HB VAL 703 180.039 4.583 -3.578 853 1HG1 VAL 703 1HG1 VAL 703 178.469 2.942 -1.595 854 2HG1 VAL 703 2HG1 VAL 703 180.204 2.802 -1.886 855 3HG1 VAL 703 3HG1 VAL 703 179.061 2.410 -3.170 856 1HG2 VAL 703 1HG2 VAL 703 177.574 4.132 -4.018 857 2HG2 VAL 703 2HG2 VAL 703 178.075 5.822 -3.961 858 3HG2 VAL 703 3HG2 VAL 703 177.252 5.099 -2.578 859 H SER 704 H SER 704 181.551 5.845 -3.307 860 HA SER 704 HA SER 704 180.911 8.669 -3.717 861 1HB SER 704 1HB SER 704 183.345 9.255 -3.492 862 2HB SER 704 2HB SER 704 182.573 8.786 -1.978 863 HG SER 704 HG SER 704 184.544 7.727 -2.166 864 H ARG 705 H ARG 705 180.686 8.908 -5.833 865 HA ARG 705 HA ARG 705 181.800 7.052 -7.706 866 1HB ARG 705 1HB ARG 705 179.620 8.659 -7.746 867 2HB ARG 705 2HB ARG 705 180.731 9.619 -8.713 868 1HG ARG 705 1HG ARG 705 180.448 8.305 -10.474 869 2HG ARG 705 2HG ARG 705 180.801 6.858 -9.527 870 1HD ARG 705 1HD ARG 705 178.380 7.189 -8.629 871 2HD ARG 705 2HD ARG 705 178.171 8.174 -10.076 872 HE ARG 705 HE ARG 705 179.228 5.888 -11.048 873 1HH1 ARG 705 1HH1 ARG 705 176.518 6.542 -8.947 874 2HH1 ARG 705 2HH1 ARG 705 175.621 5.155 -9.467 875 1HH2 ARG 705 1HH2 ARG 705 178.049 4.065 -11.733 876 2HH2 ARG 705 2HH2 ARG 705 176.489 3.749 -11.049 877 H GLU 943 H GLU 943 191.197 -11.278 -5.062 878 HA GLU 943 HA GLU 943 190.360 -12.238 -3.039 879 1HB GLU 943 1HB GLU 943 191.681 -10.707 -1.529 880 2HB GLU 943 2HB GLU 943 192.520 -11.228 -2.983 881 1HG GLU 943 1HG GLU 943 192.651 -9.150 -3.812 882 2HG GLU 943 2HG GLU 943 191.041 -8.708 -3.245 883 H GLU 944 H GLU 944 188.135 -12.210 -2.685 884 HA GLU 944 HA GLU 944 186.583 -9.941 -2.159 885 1HB GLU 944 1HB GLU 944 184.916 -11.463 -1.295 886 2HB GLU 944 2HB GLU 944 185.672 -12.181 -2.710 887 1HG GLU 944 1HG GLU 944 187.227 -13.281 -0.884 888 2HG GLU 944 2HG GLU 944 185.823 -12.986 0.141 889 H GLY 945 H GLY 945 185.308 -10.011 0.145 890 1HA GLY 945 1HA GLY 945 187.274 -10.155 2.312 891 2HA GLY 945 2HA GLY 945 186.526 -8.600 1.986 892 H ILE 946 H ILE 946 183.925 -9.180 1.547 893 HA ILE 946 HA ILE 946 182.982 -10.884 3.715 894 HB ILE 946 HB ILE 946 181.788 -8.151 3.643 895 1HG1 ILE 946 1HG1 ILE 946 184.335 -8.819 5.148 896 2HG1 ILE 946 2HG1 ILE 946 184.238 -7.761 3.742 897 1HG2 ILE 946 1HG2 ILE 946 182.217 -9.172 6.252 898 2HG2 ILE 946 2HG2 ILE 946 181.629 -10.500 5.251 899 3HG2 ILE 946 3HG2 ILE 946 180.696 -9.010 5.373 900 1HD1 ILE 946 1HD1 ILE 946 184.099 -6.957 6.336 901 2HD1 ILE 946 2HD1 ILE 946 182.401 -7.043 5.879 902 3HD1 ILE 946 3HD1 ILE 946 183.518 -6.044 4.948 903 H TRP 947 H TRP 947 180.683 -11.235 3.667 904 HA TRP 947 HA TRP 947 179.644 -11.057 0.933 905 1HB TRP 947 1HB TRP 947 179.506 -13.065 3.022 906 2HB TRP 947 2HB TRP 947 177.911 -12.676 2.383 907 HD1 TRP 947 HD1 TRP 947 180.266 -15.215 1.856 908 HE1 TRP 947 HE1 TRP 947 180.341 -16.068 -0.572 909 HE3 TRP 947 HE3 TRP 947 177.871 -11.330 -0.452 910 HZ2 TRP 947 HZ2 TRP 947 179.496 -15.205 -3.129 911 HZ3 TRP 947 HZ3 TRP 947 177.543 -11.422 -2.887 912 HH2 TRP 947 HH2 TRP 947 178.341 -13.322 -4.195 913 H ALA 948 H ALA 948 178.103 -9.690 0.436 914 HA ALA 948 HA ALA 948 176.124 -8.922 2.430 915 1HB ALA 948 1HB ALA 948 178.290 -7.272 1.924 916 2HB ALA 948 2HB ALA 948 176.767 -6.801 2.678 917 3HB ALA 948 3HB ALA 948 176.994 -6.589 0.944 Start of MODEL 4 1 H HIS 597 H HIS 597 161.758 2.492 -1.900 2 HA HIS 597 HA HIS 597 161.467 5.398 -2.159 3 1HB HIS 597 1HB HIS 597 162.805 5.520 -0.065 4 2HB HIS 597 2HB HIS 597 161.197 4.847 0.186 5 HD1 HIS 597 HD1 HIS 597 161.069 2.252 0.635 6 HD2 HIS 597 HD2 HIS 597 164.904 3.849 0.581 7 HE1 HIS 597 HE1 HIS 597 162.542 0.501 1.680 8 HE2 HIS 597 HE2 HIS 597 164.842 1.529 1.719 9 HA PRO 598 HA PRO 598 165.101 4.070 -4.573 10 1HB PRO 598 1HB PRO 598 165.309 6.383 -5.983 11 2HB PRO 598 2HB PRO 598 164.183 5.092 -6.415 12 1HG PRO 598 1HG PRO 598 163.670 7.624 -4.901 13 2HG PRO 598 2HG PRO 598 162.703 6.873 -6.184 14 1HD PRO 598 1HD PRO 598 162.066 6.633 -3.574 15 2HD PRO 598 2HD PRO 598 161.758 5.335 -4.745 16 H VAL 599 H VAL 599 167.243 5.149 -4.949 17 HA VAL 599 HA VAL 599 168.085 6.439 -2.476 18 HB VAL 599 HB VAL 599 169.511 4.949 -4.640 19 1HG1 VAL 599 1HG1 VAL 599 170.878 6.907 -4.519 20 2HG1 VAL 599 2HG1 VAL 599 171.686 5.636 -3.601 21 3HG1 VAL 599 3HG1 VAL 599 170.811 6.913 -2.756 22 1HG2 VAL 599 1HG2 VAL 599 169.436 4.850 -1.636 23 2HG2 VAL 599 2HG2 VAL 599 170.538 3.879 -2.614 24 3HG2 VAL 599 3HG2 VAL 599 168.794 3.666 -2.775 25 H THR 600 H THR 600 169.380 8.314 -2.438 26 HA THR 600 HA THR 600 169.096 10.024 -4.823 27 HB THR 600 HB THR 600 169.245 11.866 -2.895 28 HG1 THR 600 HG1 THR 600 167.899 9.709 -1.643 29 1HG2 THR 600 1HG2 THR 600 167.409 11.734 -4.478 30 2HG2 THR 600 2HG2 THR 600 166.816 12.004 -2.839 31 3HG2 THR 600 3HG2 THR 600 166.704 10.401 -3.564 32 H TRP 601 H TRP 601 170.780 11.448 -5.312 33 HA TRP 601 HA TRP 601 173.282 11.040 -3.815 34 1HB TRP 601 1HB TRP 601 173.080 11.241 -6.826 35 2HB TRP 601 2HB TRP 601 174.537 10.949 -5.883 36 HD1 TRP 601 HD1 TRP 601 171.180 9.196 -6.696 37 HE1 TRP 601 HE1 TRP 601 171.571 6.653 -6.609 38 HE3 TRP 601 HE3 TRP 601 176.045 9.174 -5.125 39 HZ2 TRP 601 HZ2 TRP 601 173.663 4.874 -5.959 40 HZ3 TRP 601 HZ3 TRP 601 177.167 7.011 -4.794 41 HH2 TRP 601 HH2 TRP 601 176.000 4.906 -5.202 42 H GLN 602 H GLN 602 174.223 12.871 -3.187 43 HA GLN 602 HA GLN 602 173.487 15.366 -4.573 44 1HB GLN 602 1HB GLN 602 173.896 16.469 -2.325 45 2HB GLN 602 2HB GLN 602 172.455 15.471 -2.446 46 1HG GLN 602 1HG GLN 602 173.133 14.152 -0.802 47 2HG GLN 602 2HG GLN 602 174.710 13.915 -1.554 48 1HE2 GLN 602 1HE2 GLN 602 173.142 16.828 -0.293 49 2HE2 GLN 602 2HE2 GLN 602 174.374 17.204 0.859 50 HA PRO 603 HA PRO 603 177.679 16.451 -5.324 51 1HB PRO 603 1HB PRO 603 177.313 18.906 -3.679 52 2HB PRO 603 2HB PRO 603 177.866 18.742 -5.351 53 1HG PRO 603 1HG PRO 603 175.412 19.620 -4.816 54 2HG PRO 603 2HG PRO 603 175.711 18.530 -6.183 55 1HD PRO 603 1HD PRO 603 174.531 17.933 -3.504 56 2HD PRO 603 2HD PRO 603 174.098 17.282 -5.099 57 H SER 604 H SER 604 179.432 15.647 -4.411 58 HA SER 604 HA SER 604 179.602 14.901 -1.715 59 1HB SER 604 1HB SER 604 180.909 13.876 -3.586 60 2HB SER 604 2HB SER 604 181.918 15.321 -3.618 61 HG SER 604 HG SER 604 181.545 13.753 -1.289 62 H LYS 605 H LYS 605 181.550 15.574 -0.318 63 HA LYS 605 HA LYS 605 181.224 18.341 0.309 64 1HB LYS 605 1HB LYS 605 182.751 16.053 1.461 65 2HB LYS 605 2HB LYS 605 183.219 17.682 1.924 66 1HG LYS 605 1HG LYS 605 180.583 17.870 2.316 67 2HG LYS 605 2HG LYS 605 180.794 16.140 2.593 68 1HD LYS 605 1HD LYS 605 182.745 17.946 3.895 69 2HD LYS 605 2HD LYS 605 181.094 17.980 4.519 70 1HE LYS 605 1HE LYS 605 181.743 16.238 5.770 71 2HE LYS 605 2HE LYS 605 181.542 15.302 4.288 72 1HZ LYS 605 1HZ LYS 605 183.972 16.104 5.660 73 2HZ LYS 605 2HZ LYS 605 184.023 16.205 3.972 74 3HZ LYS 605 3HZ LYS 605 183.660 14.732 4.719 75 H GLU 606 H GLU 606 183.185 16.756 -1.909 76 HA GLU 606 HA GLU 606 185.375 18.672 -1.712 77 1HB GLU 606 1HB GLU 606 184.936 16.162 -3.308 78 2HB GLU 606 2HB GLU 606 186.234 17.278 -3.710 79 1HG GLU 606 1HG GLU 606 186.418 16.842 -0.948 80 2HG GLU 606 2HG GLU 606 186.129 15.264 -1.678 81 H GLY 607 H GLY 607 182.468 18.158 -3.468 82 1HA GLY 607 1HA GLY 607 181.430 19.677 -4.896 83 2HA GLY 607 2HA GLY 607 182.925 20.594 -4.968 84 H ASP 608 H ASP 608 183.855 17.518 -5.559 85 HA ASP 608 HA ASP 608 183.350 17.738 -8.451 86 1HB ASP 608 1HB ASP 608 185.910 17.420 -6.976 87 2HB ASP 608 2HB ASP 608 185.727 16.504 -8.469 88 H ARG 609 H ARG 609 182.616 15.963 -5.849 89 HA ARG 609 HA ARG 609 182.547 13.468 -7.406 90 1HB ARG 609 1HB ARG 609 183.118 13.748 -4.451 91 2HB ARG 609 2HB ARG 609 182.842 12.220 -5.276 92 1HG ARG 609 1HG ARG 609 184.811 13.047 -6.798 93 2HG ARG 609 2HG ARG 609 185.191 14.040 -5.388 94 1HD ARG 609 1HD ARG 609 184.696 11.090 -5.148 95 2HD ARG 609 2HD ARG 609 186.285 11.725 -5.568 96 HE ARG 609 HE ARG 609 185.152 12.916 -3.211 97 1HH1 ARG 609 1HH1 ARG 609 187.024 10.244 -4.448 98 2HH1 ARG 609 2HH1 ARG 609 187.811 9.933 -2.938 99 1HH2 ARG 609 1HH2 ARG 609 186.185 12.508 -1.223 100 2HH2 ARG 609 2HH2 ARG 609 187.334 11.218 -1.107 101 H LEU 610 H LEU 610 180.807 12.006 -6.821 102 HA LEU 610 HA LEU 610 178.468 13.471 -5.792 103 1HB LEU 610 1HB LEU 610 178.838 12.090 -8.196 104 2HB LEU 610 2HB LEU 610 177.834 11.035 -7.221 105 HG LEU 610 HG LEU 610 176.419 12.422 -8.583 106 1HD1 LEU 610 1HD1 LEU 610 174.922 12.802 -6.962 107 2HD1 LEU 610 2HD1 LEU 610 176.005 13.875 -6.076 108 3HD1 LEU 610 3HD1 LEU 610 176.150 12.127 -5.890 109 1HD2 LEU 610 1HD2 LEU 610 177.983 14.244 -8.998 110 2HD2 LEU 610 2HD2 LEU 610 177.828 14.772 -7.322 111 3HD2 LEU 610 3HD2 LEU 610 176.440 14.861 -8.406 112 H ILE 611 H ILE 611 177.573 12.805 -3.958 113 HA ILE 611 HA ILE 611 178.279 10.125 -2.954 114 HB ILE 611 HB ILE 611 177.455 12.485 -1.267 115 1HG1 ILE 611 1HG1 ILE 611 179.547 13.031 -2.390 116 2HG1 ILE 611 2HG1 ILE 611 179.852 12.696 -0.689 117 1HG2 ILE 611 1HG2 ILE 611 177.454 9.851 -0.633 118 2HG2 ILE 611 2HG2 ILE 611 177.688 11.156 0.530 119 3HG2 ILE 611 3HG2 ILE 611 179.084 10.315 -0.146 120 1HD1 ILE 611 1HD1 ILE 611 181.441 11.310 -1.362 121 2HD1 ILE 611 2HD1 ILE 611 180.909 11.411 -3.040 122 3HD1 ILE 611 3HD1 ILE 611 180.164 10.245 -1.947 123 H GLY 612 H GLY 612 176.694 8.804 -2.156 124 1HA GLY 612 1HA GLY 612 173.931 9.818 -2.183 125 2HA GLY 612 2HA GLY 612 174.331 8.377 -3.105 126 H ARG 613 H ARG 613 172.392 8.421 -1.086 127 HA ARG 613 HA ARG 613 173.684 6.918 1.093 128 1HB ARG 613 1HB ARG 613 171.276 8.661 0.954 129 2HB ARG 613 2HB ARG 613 171.199 7.277 2.035 130 1HG ARG 613 1HG ARG 613 172.933 8.072 3.373 131 2HG ARG 613 2HG ARG 613 173.495 9.198 2.134 132 1HD ARG 613 1HD ARG 613 170.762 9.463 3.335 133 2HD ARG 613 2HD ARG 613 172.177 10.117 4.158 134 HE ARG 613 HE ARG 613 171.953 10.927 1.407 135 1HH1 ARG 613 1HH1 ARG 613 171.017 11.646 4.692 136 2HH1 ARG 613 2HH1 ARG 613 170.729 13.323 4.375 137 1HH2 ARG 613 1HH2 ARG 613 171.574 13.134 0.989 138 2HH2 ARG 613 2HH2 ARG 613 171.043 14.168 2.273 139 H VAL 614 H VAL 614 173.517 4.756 0.950 140 HA VAL 614 HA VAL 614 171.221 3.670 -0.535 141 HB VAL 614 HB VAL 614 173.907 2.359 -0.123 142 1HG1 VAL 614 1HG1 VAL 614 172.632 0.549 -0.569 143 2HG1 VAL 614 2HG1 VAL 614 172.811 1.107 -2.233 144 3HG1 VAL 614 3HG1 VAL 614 171.353 1.501 -1.323 145 1HG2 VAL 614 1HG2 VAL 614 172.913 3.425 -2.738 146 2HG2 VAL 614 2HG2 VAL 614 174.562 3.039 -2.244 147 3HG2 VAL 614 3HG2 VAL 614 173.762 4.474 -1.604 148 H ILE 615 H ILE 615 169.808 2.480 0.533 149 HA ILE 615 HA ILE 615 170.594 1.374 3.150 150 HB ILE 615 HB ILE 615 167.736 1.836 2.349 151 1HG1 ILE 615 1HG1 ILE 615 168.830 3.998 2.053 152 2HG1 ILE 615 2HG1 ILE 615 167.829 4.024 3.503 153 1HG2 ILE 615 1HG2 ILE 615 167.566 2.111 4.868 154 2HG2 ILE 615 2HG2 ILE 615 169.223 1.514 4.939 155 3HG2 ILE 615 3HG2 ILE 615 167.947 0.496 4.270 156 1HD1 ILE 615 1HD1 ILE 615 170.688 4.409 3.200 157 2HD1 ILE 615 2HD1 ILE 615 170.281 3.239 4.457 158 3HD1 ILE 615 3HD1 ILE 615 169.612 4.870 4.519 159 H LEU 616 H LEU 616 170.709 -0.781 3.247 160 HA LEU 616 HA LEU 616 169.157 -2.326 1.280 161 1HB LEU 616 1HB LEU 616 171.988 -2.454 2.063 162 2HB LEU 616 2HB LEU 616 171.184 -4.012 1.978 163 HG LEU 616 HG LEU 616 171.260 -1.997 -0.268 164 1HD1 LEU 616 1HD1 LEU 616 173.029 -3.081 -1.200 165 2HD1 LEU 616 2HD1 LEU 616 172.653 -4.612 -0.411 166 3HD1 LEU 616 3HD1 LEU 616 173.419 -3.312 0.504 167 1HD2 LEU 616 1HD2 LEU 616 170.616 -4.836 -0.720 168 2HD2 LEU 616 2HD2 LEU 616 169.968 -3.385 -1.482 169 3HD2 LEU 616 3HD2 LEU 616 169.389 -3.878 0.107 170 H ASN 617 H ASN 617 168.253 -4.279 1.916 171 HA ASN 617 HA ASN 617 168.099 -4.702 4.830 172 1HB ASN 617 1HB ASN 617 165.980 -3.861 4.259 173 2HB ASN 617 2HB ASN 617 165.948 -4.724 2.725 174 1HD2 ASN 617 1HD2 ASN 617 164.703 -6.435 2.648 175 2HD2 ASN 617 2HD2 ASN 617 164.181 -7.382 3.995 176 H LYS 618 H LYS 618 168.905 -6.609 5.440 177 HA LYS 618 HA LYS 618 168.874 -8.823 3.500 178 1HB LYS 618 1HB LYS 618 170.846 -9.681 4.879 179 2HB LYS 618 2HB LYS 618 171.139 -8.291 3.845 180 1HG LYS 618 1HG LYS 618 171.699 -7.003 5.570 181 2HG LYS 618 2HG LYS 618 170.297 -7.514 6.510 182 1HD LYS 618 1HD LYS 618 172.392 -8.106 7.630 183 2HD LYS 618 2HD LYS 618 171.470 -9.542 7.184 184 1HE LYS 618 1HE LYS 618 173.026 -9.189 4.980 185 2HE LYS 618 2HE LYS 618 174.098 -8.612 6.255 186 1HZ LYS 618 1HZ LYS 618 174.381 -10.978 5.859 187 2HZ LYS 618 2HZ LYS 618 172.748 -11.259 6.196 188 3HZ LYS 618 3HZ LYS 618 173.781 -10.706 7.417 189 H ARG 619 H ARG 619 166.705 -8.234 5.265 190 HA ARG 619 HA ARG 619 166.910 -10.316 7.315 191 1HB ARG 619 1HB ARG 619 165.053 -9.331 8.389 192 2HB ARG 619 2HB ARG 619 166.049 -7.985 7.855 193 1HG ARG 619 1HG ARG 619 164.049 -7.202 7.164 194 2HG ARG 619 2HG ARG 619 164.437 -8.169 5.740 195 1HD ARG 619 1HD ARG 619 162.331 -8.937 6.154 196 2HD ARG 619 2HD ARG 619 163.255 -10.066 7.143 197 HE ARG 619 HE ARG 619 162.713 -8.071 8.871 198 1HH1 ARG 619 1HH1 ARG 619 160.702 -9.929 6.706 199 2HH1 ARG 619 2HH1 ARG 619 159.296 -9.808 7.710 200 1HH2 ARG 619 1HH2 ARG 619 160.865 -7.911 10.190 201 2HH2 ARG 619 2HH2 ARG 619 159.388 -8.662 9.688 202 H THR 620 H THR 620 165.382 -9.572 4.294 203 HA THR 620 HA THR 620 163.739 -12.004 4.496 204 HB THR 620 HB THR 620 162.727 -10.900 2.318 205 HG1 THR 620 HG1 THR 620 164.274 -9.181 2.332 206 1HG2 THR 620 1HG2 THR 620 161.575 -9.232 4.205 207 2HG2 THR 620 2HG2 THR 620 162.082 -10.655 5.114 208 3HG2 THR 620 3HG2 THR 620 161.018 -10.832 3.718 209 H THR 621 H THR 621 163.313 -12.765 2.015 210 HA THR 621 HA THR 621 165.972 -13.538 1.073 211 HB THR 621 HB THR 621 163.254 -14.642 0.334 212 HG1 THR 621 HG1 THR 621 163.443 -15.586 2.186 213 1HG2 THR 621 1HG2 THR 621 166.023 -15.624 -0.290 214 2HG2 THR 621 2HG2 THR 621 164.754 -15.169 -1.427 215 3HG2 THR 621 3HG2 THR 621 164.570 -16.613 -0.432 216 H MET 622 H MET 622 166.593 -13.360 -1.103 217 HA MET 622 HA MET 622 165.526 -11.043 -2.438 218 1HB MET 622 1HB MET 622 167.792 -12.932 -3.036 219 2HB MET 622 2HB MET 622 167.309 -11.679 -4.169 220 1HG MET 622 1HG MET 622 168.687 -10.317 -3.102 221 2HG MET 622 2HG MET 622 167.551 -10.347 -1.755 222 1HE MET 622 1HE MET 622 169.607 -13.699 -2.673 223 2HE MET 622 2HE MET 622 171.192 -13.130 -2.150 224 3HE MET 622 3HE MET 622 170.352 -12.310 -3.465 225 HA PRO 623 HA PRO 623 162.830 -13.088 -5.263 226 1HB PRO 623 1HB PRO 623 162.916 -11.436 -7.396 227 2HB PRO 623 2HB PRO 623 162.142 -10.976 -5.876 228 1HG PRO 623 1HG PRO 623 164.860 -10.263 -6.909 229 2HG PRO 623 2HG PRO 623 163.662 -9.230 -6.107 230 1HD PRO 623 1HD PRO 623 165.802 -10.302 -4.814 231 2HD PRO 623 2HD PRO 623 164.258 -9.956 -4.008 232 H LYS 624 H LYS 624 166.152 -12.613 -6.049 233 HA LYS 624 HA LYS 624 166.323 -13.669 -8.614 234 1HB LYS 624 1HB LYS 624 168.176 -13.453 -6.298 235 2HB LYS 624 2HB LYS 624 168.633 -14.551 -7.594 236 1HG LYS 624 1HG LYS 624 168.330 -12.650 -9.193 237 2HG LYS 624 2HG LYS 624 168.122 -11.594 -7.793 238 1HD LYS 624 1HD LYS 624 170.368 -11.343 -8.136 239 2HD LYS 624 2HD LYS 624 170.387 -12.729 -7.044 240 1HE LYS 624 1HE LYS 624 170.239 -13.161 -9.998 241 2HE LYS 624 2HE LYS 624 171.787 -12.777 -9.246 242 1HZ LYS 624 1HZ LYS 624 170.925 -14.704 -7.633 243 2HZ LYS 624 2HZ LYS 624 171.871 -14.999 -9.004 244 3HZ LYS 624 3HZ LYS 624 170.193 -15.199 -9.077 245 H GLU 625 H GLU 625 166.809 -15.431 -5.546 246 HA GLU 625 HA GLU 625 165.269 -17.653 -6.211 247 1HB GLU 625 1HB GLU 625 167.090 -19.313 -6.685 248 2HB GLU 625 2HB GLU 625 166.800 -18.158 -7.979 249 1HG GLU 625 1HG GLU 625 168.757 -16.933 -7.441 250 2HG GLU 625 2HG GLU 625 168.973 -17.818 -5.933 251 H SER 626 H SER 626 168.222 -16.561 -4.613 252 HA SER 626 HA SER 626 167.402 -18.084 -2.227 253 1HB SER 626 1HB SER 626 170.060 -17.805 -3.535 254 2HB SER 626 2HB SER 626 170.032 -17.803 -1.772 255 HG SER 626 HG SER 626 168.696 -19.777 -2.033 256 H GLY 627 H GLY 627 168.902 -17.078 -0.293 257 1HA GLY 627 1HA GLY 627 168.774 -14.153 -0.450 258 2HA GLY 627 2HA GLY 627 167.817 -14.955 0.786 259 H ALA 628 H ALA 628 171.150 -14.715 -0.434 260 HA ALA 628 HA ALA 628 172.375 -15.778 1.866 261 1HB ALA 628 1HB ALA 628 173.506 -13.881 -0.188 262 2HB ALA 628 2HB ALA 628 173.541 -15.642 -0.259 263 3HB ALA 628 3HB ALA 628 174.445 -14.795 0.994 264 H LEU 629 H LEU 629 173.009 -12.430 0.923 265 HA LEU 629 HA LEU 629 172.426 -11.638 3.693 266 1HB LEU 629 1HB LEU 629 174.309 -9.932 2.208 267 2HB LEU 629 2HB LEU 629 174.335 -10.451 3.874 268 HG LEU 629 HG LEU 629 176.271 -11.325 2.837 269 1HD1 LEU 629 1HD1 LEU 629 174.510 -12.907 4.140 270 2HD1 LEU 629 2HD1 LEU 629 176.144 -13.382 3.672 271 3HD1 LEU 629 3HD1 LEU 629 174.772 -13.823 2.656 272 1HD2 LEU 629 1HD2 LEU 629 175.384 -13.102 0.857 273 2HD2 LEU 629 2HD2 LEU 629 176.348 -11.640 0.650 274 3HD2 LEU 629 3HD2 LEU 629 174.591 -11.560 0.536 275 H LEU 630 H LEU 630 173.251 -9.449 1.047 276 HA LEU 630 HA LEU 630 170.469 -8.498 1.063 277 1HB LEU 630 1HB LEU 630 171.833 -6.231 0.433 278 2HB LEU 630 2HB LEU 630 171.235 -6.629 2.032 279 HG LEU 630 HG LEU 630 173.975 -7.461 1.200 280 1HD1 LEU 630 1HD1 LEU 630 174.674 -5.308 2.454 281 2HD1 LEU 630 2HD1 LEU 630 173.067 -4.735 2.002 282 3HD1 LEU 630 3HD1 LEU 630 174.219 -5.210 0.752 283 1HD2 LEU 630 1HD2 LEU 630 174.333 -7.106 3.679 284 2HD2 LEU 630 2HD2 LEU 630 173.300 -8.456 3.209 285 3HD2 LEU 630 3HD2 LEU 630 172.581 -6.959 3.800 286 H GLY 631 H GLY 631 173.532 -8.091 -0.804 287 1HA GLY 631 1HA GLY 631 172.740 -9.312 -3.115 288 2HA GLY 631 2HA GLY 631 172.034 -7.713 -3.230 289 H LEU 632 H LEU 632 175.158 -8.097 -1.654 290 HA LEU 632 HA LEU 632 176.646 -7.609 -4.059 291 1HB LEU 632 1HB LEU 632 176.598 -5.400 -4.097 292 2HB LEU 632 2HB LEU 632 175.506 -5.402 -2.732 293 HG LEU 632 HG LEU 632 178.516 -5.365 -2.483 294 1HD1 LEU 632 1HD1 LEU 632 177.786 -3.349 -3.572 295 2HD1 LEU 632 2HD1 LEU 632 178.183 -2.985 -1.893 296 3HD1 LEU 632 3HD1 LEU 632 176.497 -3.135 -2.389 297 1HD2 LEU 632 1HD2 LEU 632 176.251 -5.407 -0.575 298 2HD2 LEU 632 2HD2 LEU 632 177.597 -4.333 -0.200 299 3HD2 LEU 632 3HD2 LEU 632 177.882 -6.059 -0.414 300 H LYS 633 H LYS 633 178.948 -7.548 -3.734 301 HA LYS 633 HA LYS 633 179.748 -8.623 -1.100 302 1HB LYS 633 1HB LYS 633 180.065 -9.750 -3.657 303 2HB LYS 633 2HB LYS 633 181.660 -9.157 -3.215 304 1HG LYS 633 1HG LYS 633 180.342 -10.584 -1.048 305 2HG LYS 633 2HG LYS 633 180.570 -11.572 -2.492 306 1HD LYS 633 1HD LYS 633 182.979 -10.709 -2.477 307 2HD LYS 633 2HD LYS 633 182.644 -10.168 -0.831 308 1HE LYS 633 1HE LYS 633 183.597 -12.283 -0.556 309 2HE LYS 633 2HE LYS 633 181.864 -12.565 -0.399 310 1HZ LYS 633 1HZ LYS 633 182.097 -14.092 -1.970 311 2HZ LYS 633 2HZ LYS 633 183.691 -13.632 -2.296 312 3HZ LYS 633 3HZ LYS 633 182.411 -12.852 -3.079 313 H VAL 634 H VAL 634 181.171 -7.455 0.035 314 HA VAL 634 HA VAL 634 182.557 -5.267 -1.367 315 HB VAL 634 HB VAL 634 181.330 -5.421 1.353 316 1HG1 VAL 634 1HG1 VAL 634 182.561 -3.434 2.072 317 2HG1 VAL 634 2HG1 VAL 634 183.524 -3.488 0.595 318 3HG1 VAL 634 3HG1 VAL 634 183.664 -4.784 1.783 319 1HG2 VAL 634 1HG2 VAL 634 181.028 -2.892 0.368 320 2HG2 VAL 634 2HG2 VAL 634 179.869 -4.209 0.176 321 3HG2 VAL 634 3HG2 VAL 634 181.038 -3.867 -1.101 322 H VAL 635 H VAL 635 184.598 -4.612 -0.604 323 HA VAL 635 HA VAL 635 186.079 -6.569 0.978 324 HB VAL 635 HB VAL 635 186.298 -6.667 -1.709 325 1HG1 VAL 635 1HG1 VAL 635 187.204 -4.361 -1.817 326 2HG1 VAL 635 2HG1 VAL 635 188.320 -5.576 -2.445 327 3HG1 VAL 635 3HG1 VAL 635 188.574 -4.890 -0.839 328 1HG2 VAL 635 1HG2 VAL 635 188.859 -7.149 -0.444 329 2HG2 VAL 635 2HG2 VAL 635 187.725 -8.280 -1.182 330 3HG2 VAL 635 3HG2 VAL 635 187.501 -7.772 0.491 331 H GLY 636 H GLY 636 187.413 -5.657 2.434 332 1HA GLY 636 1HA GLY 636 187.886 -2.754 2.172 333 2HA GLY 636 2HA GLY 636 187.708 -3.590 3.706 334 H GLY 637 H GLY 637 189.817 -2.080 3.654 335 1HA GLY 637 1HA GLY 637 192.064 -2.241 4.185 336 2HA GLY 637 2HA GLY 637 192.004 -3.946 3.763 337 H LYS 638 H LYS 638 190.995 -1.374 1.607 338 HA LYS 638 HA LYS 638 193.227 -2.091 -0.170 339 1HB LYS 638 1HB LYS 638 190.664 -0.717 -0.969 340 2HB LYS 638 2HB LYS 638 191.856 -1.465 -2.023 341 1HG LYS 638 1HG LYS 638 190.139 -2.944 -0.041 342 2HG LYS 638 2HG LYS 638 189.812 -2.809 -1.769 343 1HD LYS 638 1HD LYS 638 191.196 -4.498 -2.210 344 2HD LYS 638 2HD LYS 638 192.512 -3.696 -1.351 345 1HE LYS 638 1HE LYS 638 191.690 -4.604 0.763 346 2HE LYS 638 2HE LYS 638 190.360 -5.391 -0.087 347 1HZ LYS 638 1HZ LYS 638 192.242 -6.885 0.399 348 2HZ LYS 638 2HZ LYS 638 193.232 -5.945 -0.598 349 3HZ LYS 638 3HZ LYS 638 191.910 -6.769 -1.257 350 H MET 639 H MET 639 194.781 -0.672 0.579 351 HA MET 639 HA MET 639 194.404 2.023 1.209 352 1HB MET 639 1HB MET 639 196.432 0.770 1.795 353 2HB MET 639 2HB MET 639 196.875 0.681 0.096 354 1HG MET 639 1HG MET 639 197.990 2.571 0.328 355 2HG MET 639 2HG MET 639 196.467 3.398 0.646 356 1HE MET 639 1HE MET 639 196.389 4.230 4.199 357 2HE MET 639 2HE MET 639 195.549 2.753 3.730 358 3HE MET 639 3HE MET 639 195.598 4.127 2.627 359 H THR 640 H THR 640 193.566 3.519 -0.084 360 HA THR 640 HA THR 640 193.820 3.343 -2.956 361 HB THR 640 HB THR 640 192.481 5.509 -2.859 362 HG1 THR 640 HG1 THR 640 193.115 6.005 -0.676 363 1HG2 THR 640 1HG2 THR 640 190.961 3.919 -3.270 364 2HG2 THR 640 2HG2 THR 640 190.509 4.187 -1.587 365 3HG2 THR 640 3HG2 THR 640 191.579 2.851 -2.011 366 H ASP 641 H ASP 641 194.159 5.661 -4.026 367 HA ASP 641 HA ASP 641 196.903 6.272 -3.654 368 1HB ASP 641 1HB ASP 641 194.713 7.215 -5.416 369 2HB ASP 641 2HB ASP 641 196.059 8.328 -5.179 370 H LEU 642 H LEU 642 194.084 7.397 -2.101 371 HA LEU 642 HA LEU 642 195.009 10.024 -1.455 372 1HB LEU 642 1HB LEU 642 192.836 8.302 -0.264 373 2HB LEU 642 2HB LEU 642 193.147 9.957 0.227 374 HG LEU 642 HG LEU 642 191.311 10.012 -1.279 375 1HD1 LEU 642 1HD1 LEU 642 193.392 11.588 -1.606 376 2HD1 LEU 642 2HD1 LEU 642 192.025 11.636 -2.719 377 3HD1 LEU 642 3HD1 LEU 642 193.490 10.759 -3.160 378 1HD2 LEU 642 1HD2 LEU 642 192.824 8.769 -3.517 379 2HD2 LEU 642 2HD2 LEU 642 191.088 8.811 -3.210 380 3HD2 LEU 642 3HD2 LEU 642 192.120 7.716 -2.290 381 H GLY 643 H GLY 643 195.409 6.854 -0.098 382 1HA GLY 643 1HA GLY 643 197.281 6.411 1.342 383 2HA GLY 643 2HA GLY 643 197.109 8.031 1.996 384 H ARG 644 H ARG 644 194.121 6.485 1.609 385 HA ARG 644 HA ARG 644 194.142 5.621 4.425 386 1HB ARG 644 1HB ARG 644 191.787 6.865 3.003 387 2HB ARG 644 2HB ARG 644 191.911 6.467 4.712 388 1HG ARG 644 1HG ARG 644 193.431 8.219 5.115 389 2HG ARG 644 2HG ARG 644 193.721 8.465 3.392 390 1HD ARG 644 1HD ARG 644 190.918 8.731 4.233 391 2HD ARG 644 2HD ARG 644 192.011 9.942 4.900 392 HE ARG 644 HE ARG 644 192.617 9.897 2.248 393 1HH1 ARG 644 1HH1 ARG 644 189.669 10.343 4.061 394 2HH1 ARG 644 2HH1 ARG 644 188.944 11.370 2.870 395 1HH2 ARG 644 1HH2 ARG 644 191.666 11.245 0.680 396 2HH2 ARG 644 2HH2 ARG 644 190.078 11.883 0.949 397 H LEU 645 H LEU 645 192.567 3.965 4.969 398 HA LEU 645 HA LEU 645 192.309 2.035 2.806 399 1HB LEU 645 1HB LEU 645 191.964 1.860 5.790 400 2HB LEU 645 2HB LEU 645 191.502 0.548 4.723 401 HG LEU 645 HG LEU 645 194.272 1.646 5.177 402 1HD1 LEU 645 1HD1 LEU 645 192.935 -0.189 6.623 403 2HD1 LEU 645 2HD1 LEU 645 194.683 -0.207 6.391 404 3HD1 LEU 645 3HD1 LEU 645 193.651 -1.225 5.388 405 1HD2 LEU 645 1HD2 LEU 645 194.664 -0.500 3.596 406 2HD2 LEU 645 2HD2 LEU 645 194.578 1.156 2.995 407 3HD2 LEU 645 3HD2 LEU 645 193.158 0.115 2.916 408 H GLY 646 H GLY 646 190.372 1.100 2.154 409 1HA GLY 646 1HA GLY 646 187.882 2.129 3.285 410 2HA GLY 646 2HA GLY 646 188.198 2.497 1.597 411 H ALA 647 H ALA 647 186.132 1.307 1.348 412 HA ALA 647 HA ALA 647 186.653 -1.582 1.132 413 1HB ALA 647 1HB ALA 647 184.006 -1.621 1.379 414 2HB ALA 647 2HB ALA 647 184.335 -0.156 2.301 415 3HB ALA 647 3HB ALA 647 185.085 -1.681 2.773 416 H PHE 648 H PHE 648 186.074 -2.580 -0.763 417 HA PHE 648 HA PHE 648 184.696 -0.923 -2.774 418 1HB PHE 648 1HB PHE 648 187.159 -2.630 -3.169 419 2HB PHE 648 2HB PHE 648 186.197 -1.984 -4.495 420 HD1 PHE 648 HD1 PHE 648 186.670 0.113 -5.352 421 HD2 PHE 648 HD2 PHE 648 188.102 -0.926 -1.482 422 HE1 PHE 648 HE1 PHE 648 187.964 2.204 -5.273 423 HE2 PHE 648 HE2 PHE 648 189.398 1.163 -1.395 424 HZ PHE 648 HZ PHE 648 189.330 2.732 -3.293 425 H ILE 649 H ILE 649 183.234 -1.964 -4.074 426 HA ILE 649 HA ILE 649 182.263 -4.491 -3.138 427 HB ILE 649 HB ILE 649 181.386 -2.797 -5.478 428 1HG1 ILE 649 1HG1 ILE 649 179.908 -3.194 -2.891 429 2HG1 ILE 649 2HG1 ILE 649 181.173 -1.976 -3.022 430 1HG2 ILE 649 1HG2 ILE 649 180.769 -5.118 -5.841 431 2HG2 ILE 649 2HG2 ILE 649 179.341 -4.153 -5.464 432 3HG2 ILE 649 3HG2 ILE 649 180.050 -5.197 -4.232 433 1HD1 ILE 649 1HD1 ILE 649 178.594 -1.485 -3.511 434 2HD1 ILE 649 2HD1 ILE 649 179.117 -1.946 -5.131 435 3HD1 ILE 649 3HD1 ILE 649 179.911 -0.613 -4.293 436 H THR 650 H THR 650 182.909 -6.419 -3.779 437 HA THR 650 HA THR 650 184.692 -6.724 -6.012 438 HB THR 650 HB THR 650 184.036 -9.279 -5.176 439 HG1 THR 650 HG1 THR 650 184.061 -9.085 -2.884 440 1HG2 THR 650 1HG2 THR 650 186.222 -9.312 -4.902 441 2HG2 THR 650 2HG2 THR 650 186.064 -8.325 -3.449 442 3HG2 THR 650 3HG2 THR 650 186.272 -7.554 -5.021 443 H LYS 651 H LYS 651 181.325 -7.483 -5.325 444 HA LYS 651 HA LYS 651 180.694 -7.624 -8.090 445 1HB LYS 651 1HB LYS 651 180.118 -9.936 -8.316 446 2HB LYS 651 2HB LYS 651 181.779 -9.848 -7.750 447 1HG LYS 651 1HG LYS 651 180.880 -10.213 -5.422 448 2HG LYS 651 2HG LYS 651 179.327 -10.581 -6.177 449 1HD LYS 651 1HD LYS 651 181.894 -11.995 -6.879 450 2HD LYS 651 2HD LYS 651 180.768 -12.575 -5.650 451 1HE LYS 651 1HE LYS 651 180.154 -12.136 -8.571 452 2HE LYS 651 2HE LYS 651 180.385 -13.694 -7.780 453 1HZ LYS 651 1HZ LYS 651 178.186 -11.756 -7.327 454 2HZ LYS 651 2HZ LYS 651 178.457 -13.102 -6.340 455 3HZ LYS 651 3HZ LYS 651 178.067 -13.316 -7.971 456 H VAL 652 H VAL 652 178.472 -7.809 -8.514 457 HA VAL 652 HA VAL 652 176.734 -7.549 -6.142 458 HB VAL 652 HB VAL 652 175.346 -6.241 -8.122 459 1HG1 VAL 652 1HG1 VAL 652 175.605 -5.556 -5.779 460 2HG1 VAL 652 2HG1 VAL 652 175.834 -4.210 -6.897 461 3HG1 VAL 652 3HG1 VAL 652 177.232 -4.977 -6.138 462 1HG2 VAL 652 1HG2 VAL 652 177.509 -6.385 -9.475 463 2HG2 VAL 652 2HG2 VAL 652 178.147 -5.188 -8.349 464 3HG2 VAL 652 3HG2 VAL 652 176.737 -4.806 -9.338 465 H LYS 653 H LYS 653 174.929 -8.783 -6.091 466 HA LYS 653 HA LYS 653 174.605 -10.787 -8.141 467 1HB LYS 653 1HB LYS 653 173.519 -10.302 -5.423 468 2HB LYS 653 2HB LYS 653 172.497 -11.218 -6.523 469 1HG LYS 653 1HG LYS 653 175.356 -11.996 -6.214 470 2HG LYS 653 2HG LYS 653 174.198 -12.428 -4.955 471 1HD LYS 653 1HD LYS 653 173.870 -14.254 -6.235 472 2HD LYS 653 2HD LYS 653 172.830 -13.174 -7.167 473 1HE LYS 653 1HE LYS 653 174.625 -12.707 -8.709 474 2HE LYS 653 2HE LYS 653 175.753 -13.648 -7.734 475 1HZ LYS 653 1HZ LYS 653 173.864 -15.461 -8.192 476 2HZ LYS 653 2HZ LYS 653 175.209 -15.249 -9.194 477 3HZ LYS 653 3HZ LYS 653 173.727 -14.546 -9.608 478 H LYS 654 H LYS 654 173.679 -10.162 -9.986 479 HA LYS 654 HA LYS 654 171.930 -8.022 -10.337 480 1HB LYS 654 1HB LYS 654 171.396 -9.063 -12.525 481 2HB LYS 654 2HB LYS 654 173.122 -8.976 -12.205 482 1HG LYS 654 1HG LYS 654 173.335 -11.166 -12.453 483 2HG LYS 654 2HG LYS 654 172.082 -11.472 -11.250 484 1HD LYS 654 1HD LYS 654 170.940 -12.349 -12.975 485 2HD LYS 654 2HD LYS 654 170.599 -10.669 -13.390 486 1HE LYS 654 1HE LYS 654 172.905 -12.303 -14.445 487 2HE LYS 654 2HE LYS 654 171.412 -11.959 -15.318 488 1HZ LYS 654 1HZ LYS 654 171.996 -9.793 -15.650 489 2HZ LYS 654 2HZ LYS 654 173.534 -10.494 -15.655 490 3HZ LYS 654 3HZ LYS 654 172.969 -9.707 -14.269 491 H GLY 655 H GLY 655 170.107 -7.867 -9.148 492 1HA GLY 655 1HA GLY 655 167.707 -8.518 -9.457 493 2HA GLY 655 2HA GLY 655 168.257 -10.171 -9.221 494 H SER 656 H SER 656 170.206 -8.988 -7.146 495 HA SER 656 HA SER 656 168.515 -9.477 -4.895 496 1HB SER 656 1HB SER 656 171.363 -8.451 -4.953 497 2HB SER 656 2HB SER 656 170.527 -9.135 -3.559 498 HG SER 656 HG SER 656 170.270 -11.055 -5.005 499 H LEU 657 H LEU 657 168.769 -7.912 -2.943 500 HA LEU 657 HA LEU 657 167.350 -5.580 -3.521 501 1HB LEU 657 1HB LEU 657 169.025 -6.193 -1.089 502 2HB LEU 657 2HB LEU 657 167.814 -4.931 -1.195 503 HG LEU 657 HG LEU 657 166.642 -7.460 -1.915 504 1HD1 LEU 657 1HD1 LEU 657 167.914 -8.785 -0.600 505 2HD1 LEU 657 2HD1 LEU 657 166.851 -8.158 0.660 506 3HD1 LEU 657 3HD1 LEU 657 168.449 -7.450 0.421 507 1HD2 LEU 657 1HD2 LEU 657 165.075 -6.000 -1.190 508 2HD2 LEU 657 2HD2 LEU 657 166.179 -5.205 -0.066 509 3HD2 LEU 657 3HD2 LEU 657 165.432 -6.743 0.369 510 H ALA 658 H ALA 658 170.756 -5.934 -2.598 511 HA ALA 658 HA ALA 658 171.576 -3.326 -2.609 512 1HB ALA 658 1HB ALA 658 173.744 -4.096 -2.736 513 2HB ALA 658 2HB ALA 658 173.335 -5.376 -3.878 514 3HB ALA 658 3HB ALA 658 172.884 -5.531 -2.180 515 H ASP 659 H ASP 659 170.799 -5.302 -5.366 516 HA ASP 659 HA ASP 659 171.945 -3.439 -7.255 517 1HB ASP 659 1HB ASP 659 171.461 -6.122 -7.358 518 2HB ASP 659 2HB ASP 659 170.104 -5.489 -8.285 519 H VAL 660 H VAL 660 168.683 -4.558 -6.433 520 HA VAL 660 HA VAL 660 167.415 -2.693 -8.186 521 HB VAL 660 HB VAL 660 165.337 -3.341 -6.715 522 1HG1 VAL 660 1HG1 VAL 660 166.304 -4.152 -9.090 523 2HG1 VAL 660 2HG1 VAL 660 164.814 -4.770 -8.377 524 3HG1 VAL 660 3HG1 VAL 660 166.315 -5.683 -8.213 525 1HG2 VAL 660 1HG2 VAL 660 167.225 -4.578 -5.195 526 2HG2 VAL 660 2HG2 VAL 660 166.683 -5.901 -6.227 527 3HG2 VAL 660 3HG2 VAL 660 165.520 -5.021 -5.236 528 H VAL 661 H VAL 661 167.764 -2.811 -4.628 529 HA VAL 661 HA VAL 661 166.590 -0.153 -4.445 530 HB VAL 661 HB VAL 661 165.920 -1.822 -2.785 531 1HG1 VAL 661 1HG1 VAL 661 167.823 -2.133 -0.945 532 2HG1 VAL 661 2HG1 VAL 661 168.843 -2.018 -2.378 533 3HG1 VAL 661 3HG1 VAL 661 167.596 -3.261 -2.282 534 1HG2 VAL 661 1HG2 VAL 661 166.458 0.789 -2.341 535 2HG2 VAL 661 2HG2 VAL 661 167.429 0.036 -1.077 536 3HG2 VAL 661 3HG2 VAL 661 165.697 -0.278 -1.162 537 H GLY 662 H GLY 662 169.721 -1.684 -4.271 538 1HA GLY 662 1HA GLY 662 170.993 0.685 -3.169 539 2HA GLY 662 2HA GLY 662 171.796 -0.807 -3.635 540 H HIS 663 H HIS 663 171.319 -1.179 -6.185 541 HA HIS 663 HA HIS 663 171.748 -0.533 -8.319 542 1HB HIS 663 1HB HIS 663 170.162 1.431 -7.487 543 2HB HIS 663 2HB HIS 663 171.637 2.373 -7.676 544 HD1 HIS 663 HD1 HIS 663 172.569 2.637 -10.094 545 HD2 HIS 663 HD2 HIS 663 168.945 0.618 -9.853 546 HE1 HIS 663 HE1 HIS 663 171.684 2.563 -12.447 547 HE2 HIS 663 HE2 HIS 663 169.534 1.260 -12.289 548 H LEU 664 H LEU 664 173.941 -1.307 -7.284 549 HA LEU 664 HA LEU 664 175.904 0.692 -8.112 550 1HB LEU 664 1HB LEU 664 177.378 -0.307 -6.180 551 2HB LEU 664 2HB LEU 664 176.299 1.041 -5.893 552 HG LEU 664 HG LEU 664 176.282 -0.693 -4.108 553 1HD1 LEU 664 1HD1 LEU 664 174.159 -0.188 -3.612 554 2HD1 LEU 664 2HD1 LEU 664 173.543 -0.829 -5.135 555 3HD1 LEU 664 3HD1 LEU 664 174.235 0.792 -5.078 556 1HD2 LEU 664 1HD2 LEU 664 176.369 -2.527 -6.024 557 2HD2 LEU 664 2HD2 LEU 664 174.619 -2.460 -5.805 558 3HD2 LEU 664 3HD2 LEU 664 175.665 -2.849 -4.437 559 H ARG 665 H ARG 665 178.173 -0.469 -8.162 560 HA ARG 665 HA ARG 665 177.870 -3.240 -9.039 561 1HB ARG 665 1HB ARG 665 179.479 -2.489 -11.002 562 2HB ARG 665 2HB ARG 665 177.731 -2.407 -11.163 563 1HG ARG 665 1HG ARG 665 177.896 -0.003 -10.423 564 2HG ARG 665 2HG ARG 665 179.644 -0.159 -10.604 565 1HD ARG 665 1HD ARG 665 178.903 -1.124 -12.973 566 2HD ARG 665 2HD ARG 665 177.515 -0.083 -12.665 567 HE ARG 665 HE ARG 665 180.210 0.739 -13.263 568 1HH1 ARG 665 1HH1 ARG 665 177.162 1.681 -11.848 569 2HH1 ARG 665 2HH1 ARG 665 177.444 3.376 -12.063 570 1HH2 ARG 665 1HH2 ARG 665 180.584 2.967 -13.543 571 2HH2 ARG 665 2HH2 ARG 665 179.387 4.106 -13.024 572 H ALA 666 H ALA 666 179.986 -4.298 -9.442 573 HA ALA 666 HA ALA 666 181.671 -4.056 -7.242 574 1HB ALA 666 1HB ALA 666 181.378 -5.997 -8.929 575 2HB ALA 666 2HB ALA 666 182.958 -5.739 -8.185 576 3HB ALA 666 3HB ALA 666 182.658 -5.184 -9.832 577 H GLY 667 H GLY 667 183.195 -2.649 -6.729 578 1HA GLY 667 1HA GLY 667 185.325 -1.621 -7.551 579 2HA GLY 667 2HA GLY 667 184.365 -1.016 -8.895 580 H ASP 668 H ASP 668 182.068 -0.570 -7.011 581 HA ASP 668 HA ASP 668 182.522 2.153 -6.473 582 1HB ASP 668 1HB ASP 668 180.375 0.217 -6.051 583 2HB ASP 668 2HB ASP 668 180.466 1.415 -4.763 584 H GLU 669 H GLU 669 183.026 3.263 -4.608 585 HA GLU 669 HA GLU 669 184.282 1.638 -2.514 586 1HB GLU 669 1HB GLU 669 185.490 3.525 -3.842 587 2HB GLU 669 2HB GLU 669 184.617 4.606 -2.765 588 1HG GLU 669 1HG GLU 669 185.609 3.333 -0.845 589 2HG GLU 669 2HG GLU 669 186.624 2.500 -2.021 590 H VAL 670 H VAL 670 182.931 1.213 -0.887 591 HA VAL 670 HA VAL 670 180.946 3.185 -0.079 592 HB VAL 670 HB VAL 670 181.430 0.337 0.806 593 1HG1 VAL 670 1HG1 VAL 670 179.049 0.866 1.890 594 2HG1 VAL 670 2HG1 VAL 670 179.767 2.473 2.022 595 3HG1 VAL 670 3HG1 VAL 670 180.561 1.087 2.771 596 1HG2 VAL 670 1HG2 VAL 670 179.494 -0.222 -0.374 597 2HG2 VAL 670 2HG2 VAL 670 180.330 0.906 -1.439 598 3HG2 VAL 670 3HG2 VAL 670 178.959 1.455 -0.475 599 H LEU 671 H LEU 671 181.941 4.794 1.036 600 HA LEU 671 HA LEU 671 183.974 4.224 3.001 601 1HB LEU 671 1HB LEU 671 182.578 6.855 2.572 602 2HB LEU 671 2HB LEU 671 184.147 6.579 3.299 603 HG LEU 671 HG LEU 671 184.774 7.367 1.242 604 1HD1 LEU 671 1HD1 LEU 671 185.372 4.811 1.667 605 2HD1 LEU 671 2HD1 LEU 671 185.879 5.676 0.215 606 3HD1 LEU 671 3HD1 LEU 671 184.462 4.626 0.167 607 1HD2 LEU 671 1HD2 LEU 671 183.188 6.023 -0.691 608 2HD2 LEU 671 2HD2 LEU 671 183.256 7.746 -0.324 609 3HD2 LEU 671 3HD2 LEU 671 182.111 6.707 0.526 610 H GLU 672 H GLU 672 180.715 3.849 3.078 611 HA GLU 672 HA GLU 672 180.678 4.156 5.987 612 1HB GLU 672 1HB GLU 672 178.637 5.300 4.091 613 2HB GLU 672 2HB GLU 672 178.356 5.109 5.815 614 1HG GLU 672 1HG GLU 672 180.818 6.538 5.101 615 2HG GLU 672 2HG GLU 672 179.316 7.351 4.662 616 H TRP 673 H TRP 673 179.894 2.403 6.954 617 HA TRP 673 HA TRP 673 177.970 0.716 5.505 618 1HB TRP 673 1HB TRP 673 180.350 -0.211 5.503 619 2HB TRP 673 2HB TRP 673 180.161 -0.422 7.240 620 HD1 TRP 673 HD1 TRP 673 178.195 -2.182 8.026 621 HE1 TRP 673 HE1 TRP 673 177.323 -4.299 6.847 622 HE3 TRP 673 HE3 TRP 673 179.900 -1.237 3.306 623 HZ2 TRP 673 HZ2 TRP 673 177.363 -5.420 4.249 624 HZ3 TRP 673 HZ3 TRP 673 179.439 -2.875 1.537 625 HH2 TRP 673 HH2 TRP 673 178.204 -4.930 2.000 626 H ASN 674 H ASN 674 176.142 0.789 6.644 627 HA ASN 674 HA ASN 674 174.672 0.662 8.375 628 1HB ASN 674 1HB ASN 674 176.295 -1.271 9.005 629 2HB ASN 674 2HB ASN 674 176.885 -0.157 10.236 630 1HD2 ASN 674 1HD2 ASN 674 174.043 -1.841 9.045 631 2HD2 ASN 674 2HD2 ASN 674 173.188 -1.845 10.546 632 H GLY 675 H GLY 675 176.001 3.087 7.781 633 1HA GLY 675 1HA GLY 675 175.984 5.229 8.618 634 2HA GLY 675 2HA GLY 675 175.292 4.587 10.097 635 H LYS 676 H LYS 676 178.280 3.181 9.086 636 HA LYS 676 HA LYS 676 179.660 4.747 11.167 637 1HB LYS 676 1HB LYS 676 180.255 2.795 12.075 638 2HB LYS 676 2HB LYS 676 179.394 1.934 10.812 639 1HG LYS 676 1HG LYS 676 181.324 1.119 10.085 640 2HG LYS 676 2HG LYS 676 181.883 2.748 9.699 641 1HD LYS 676 1HD LYS 676 183.437 1.576 11.192 642 2HD LYS 676 2HD LYS 676 182.741 2.995 11.971 643 1HE LYS 676 1HE LYS 676 181.486 1.750 13.432 644 2HE LYS 676 2HE LYS 676 181.396 0.368 12.341 645 1HZ LYS 676 1HZ LYS 676 183.439 1.062 14.294 646 2HZ LYS 676 2HZ LYS 676 183.994 0.395 12.842 647 3HZ LYS 676 3HZ LYS 676 182.888 -0.459 13.795 648 HA PRO 677 HA PRO 677 182.457 5.978 7.973 649 1HB PRO 677 1HB PRO 677 184.459 6.984 9.437 650 2HB PRO 677 2HB PRO 677 182.871 7.762 9.406 651 1HG PRO 677 1HG PRO 677 184.087 6.013 11.499 652 2HG PRO 677 2HG PRO 677 183.065 7.448 11.690 653 1HD PRO 677 1HD PRO 677 182.188 4.813 11.856 654 2HD PRO 677 2HD PRO 677 181.151 6.222 11.568 655 H LEU 678 H LEU 678 183.512 4.538 6.808 656 HA LEU 678 HA LEU 678 185.129 2.472 8.025 657 1HB LEU 678 1HB LEU 678 184.538 2.947 5.110 658 2HB LEU 678 2HB LEU 678 185.235 1.499 5.811 659 HG LEU 678 HG LEU 678 182.458 2.498 6.435 660 1HD1 LEU 678 1HD1 LEU 678 182.237 0.142 5.010 661 2HD1 LEU 678 2HD1 LEU 678 183.480 1.043 4.145 662 3HD1 LEU 678 3HD1 LEU 678 181.894 1.766 4.412 663 1HD2 LEU 678 1HD2 LEU 678 182.652 -0.238 6.892 664 2HD2 LEU 678 2HD2 LEU 678 182.599 1.038 8.109 665 3HD2 LEU 678 3HD2 LEU 678 184.154 0.426 7.537 666 HA PRO 679 HA PRO 679 188.207 5.061 4.935 667 1HB PRO 679 1HB PRO 679 187.409 7.491 6.506 668 2HB PRO 679 2HB PRO 679 188.092 7.386 4.876 669 1HG PRO 679 1HG PRO 679 185.482 7.757 5.216 670 2HG PRO 679 2HG PRO 679 186.086 6.690 3.935 671 1HD PRO 679 1HD PRO 679 184.746 6.007 6.487 672 2HD PRO 679 2HD PRO 679 184.789 5.107 4.959 673 H GLY 680 H GLY 680 189.934 4.161 5.862 674 1HA GLY 680 1HA GLY 680 191.860 4.615 7.265 675 2HA GLY 680 2HA GLY 680 190.753 5.174 8.509 676 H ALA 681 H ALA 681 189.106 2.643 7.528 677 HA ALA 681 HA ALA 681 190.316 0.895 9.527 678 1HB ALA 681 1HB ALA 681 188.004 -0.338 8.661 679 2HB ALA 681 2HB ALA 681 187.623 1.379 8.550 680 3HB ALA 681 3HB ALA 681 188.165 0.694 10.081 681 H THR 682 H THR 682 191.121 -1.105 9.106 682 HA THR 682 HA THR 682 191.694 -1.710 6.319 683 HB THR 682 HB THR 682 193.582 -1.873 7.752 684 HG1 THR 682 HG1 THR 682 194.188 -3.700 6.950 685 1HG2 THR 682 1HG2 THR 682 192.776 -2.043 9.923 686 2HG2 THR 682 2HG2 THR 682 193.584 -3.584 9.633 687 3HG2 THR 682 3HG2 THR 682 191.825 -3.482 9.557 688 H ASN 683 H ASN 683 191.840 -4.333 6.083 689 HA ASN 683 HA ASN 683 189.275 -5.208 5.594 690 1HB ASN 683 1HB ASN 683 191.441 -6.207 4.744 691 2HB ASN 683 2HB ASN 683 191.560 -7.056 6.281 692 1HD2 ASN 683 1HD2 ASN 683 189.209 -6.471 3.690 693 2HD2 ASN 683 2HD2 ASN 683 188.592 -8.083 3.654 694 H GLU 684 H GLU 684 191.257 -5.796 8.479 695 HA GLU 684 HA GLU 684 189.397 -7.500 9.756 696 1HB GLU 684 1HB GLU 684 191.972 -6.415 10.326 697 2HB GLU 684 2HB GLU 684 190.935 -6.112 11.713 698 1HG GLU 684 1HG GLU 684 190.602 -8.363 12.121 699 2HG GLU 684 2HG GLU 684 191.039 -8.829 10.478 700 H GLU 685 H GLU 685 189.843 -4.013 9.763 701 HA GLU 685 HA GLU 685 188.102 -3.423 11.897 702 1HB GLU 685 1HB GLU 685 188.992 -1.849 9.484 703 2HB GLU 685 2HB GLU 685 187.869 -1.181 10.661 704 1HG GLU 685 1HG GLU 685 190.552 -2.272 11.445 705 2HG GLU 685 2HG GLU 685 190.320 -0.601 10.934 706 H VAL 686 H VAL 686 187.523 -3.151 8.399 707 HA VAL 686 HA VAL 686 184.829 -2.712 8.365 708 HB VAL 686 HB VAL 686 186.418 -4.439 6.465 709 1HG1 VAL 686 1HG1 VAL 686 184.576 -3.740 4.848 710 2HG1 VAL 686 2HG1 VAL 686 183.638 -3.320 6.281 711 3HG1 VAL 686 3HG1 VAL 686 184.178 -4.980 6.036 712 1HG2 VAL 686 1HG2 VAL 686 186.958 -2.544 5.289 713 2HG2 VAL 686 2HG2 VAL 686 186.954 -1.907 6.934 714 3HG2 VAL 686 3HG2 VAL 686 185.563 -1.644 5.883 715 H TYR 687 H TYR 687 186.480 -5.836 8.617 716 HA TYR 687 HA TYR 687 184.389 -7.599 8.444 717 1HB TYR 687 1HB TYR 687 186.890 -7.603 10.094 718 2HB TYR 687 2HB TYR 687 185.709 -8.888 10.312 719 HD1 TYR 687 HD1 TYR 687 187.462 -10.493 9.621 720 HD2 TYR 687 HD2 TYR 687 186.048 -7.467 6.989 721 HE1 TYR 687 HE1 TYR 687 188.437 -11.705 7.717 722 HE2 TYR 687 HE2 TYR 687 187.019 -8.669 5.075 723 HH TYR 687 HH TYR 687 188.771 -10.312 4.629 724 H ASN 688 H ASN 688 185.404 -5.760 11.284 725 HA ASN 688 HA ASN 688 183.483 -6.828 13.060 726 1HB ASN 688 1HB ASN 688 184.952 -4.184 13.120 727 2HB ASN 688 2HB ASN 688 184.000 -4.826 14.455 728 1HD2 ASN 688 1HD2 ASN 688 186.851 -4.182 14.281 729 2HD2 ASN 688 2HD2 ASN 688 187.687 -5.633 14.704 730 H ILE 689 H ILE 689 183.490 -3.921 11.028 731 HA ILE 689 HA ILE 689 181.005 -2.910 11.904 732 HB ILE 689 HB ILE 689 182.439 -2.491 9.277 733 1HG1 ILE 689 1HG1 ILE 689 182.728 -0.175 10.546 734 2HG1 ILE 689 2HG1 ILE 689 182.550 -1.202 11.964 735 1HG2 ILE 689 1HG2 ILE 689 181.027 -0.506 9.013 736 2HG2 ILE 689 2HG2 ILE 689 180.132 -0.953 10.465 737 3HG2 ILE 689 3HG2 ILE 689 180.069 -1.986 9.037 738 1HD1 ILE 689 1HD1 ILE 689 184.653 -1.852 11.801 739 2HD1 ILE 689 2HD1 ILE 689 184.861 -0.714 10.469 740 3HD1 ILE 689 3HD1 ILE 689 184.403 -2.383 10.140 741 H ILE 690 H ILE 690 181.870 -4.905 9.085 742 HA ILE 690 HA ILE 690 179.319 -5.094 7.961 743 HB ILE 690 HB ILE 690 181.372 -7.301 7.918 744 1HG1 ILE 690 1HG1 ILE 690 182.021 -4.781 7.253 745 2HG1 ILE 690 2HG1 ILE 690 182.664 -6.181 6.409 746 1HG2 ILE 690 1HG2 ILE 690 179.053 -6.556 6.164 747 2HG2 ILE 690 2HG2 ILE 690 179.381 -8.088 6.974 748 3HG2 ILE 690 3HG2 ILE 690 180.359 -7.593 5.592 749 1HD1 ILE 690 1HD1 ILE 690 180.347 -4.480 5.540 750 2HD1 ILE 690 2HD1 ILE 690 180.929 -5.914 4.697 751 3HD1 ILE 690 3HD1 ILE 690 181.964 -4.495 4.842 752 H LEU 691 H LEU 691 180.967 -7.643 9.818 753 HA LEU 691 HA LEU 691 178.894 -9.364 10.219 754 1HB LEU 691 1HB LEU 691 181.241 -8.622 11.906 755 2HB LEU 691 2HB LEU 691 180.050 -9.738 12.546 756 HG LEU 691 HG LEU 691 180.587 -11.402 11.026 757 1HD1 LEU 691 1HD1 LEU 691 181.782 -11.066 8.937 758 2HD1 LEU 691 2HD1 LEU 691 181.948 -9.346 9.292 759 3HD1 LEU 691 3HD1 LEU 691 180.352 -10.037 9.003 760 1HD2 LEU 691 1HD2 LEU 691 183.038 -11.576 11.000 761 2HD2 LEU 691 2HD2 LEU 691 182.420 -11.064 12.571 762 3HD2 LEU 691 3HD2 LEU 691 183.148 -9.883 11.483 763 H GLU 692 H GLU 692 179.709 -6.628 12.309 764 HA GLU 692 HA GLU 692 177.611 -6.967 14.146 765 1HB GLU 692 1HB GLU 692 179.282 -4.602 13.343 766 2HB GLU 692 2HB GLU 692 178.000 -4.446 14.535 767 1HG GLU 692 1HG GLU 692 179.076 -5.881 16.045 768 2HG GLU 692 2HG GLU 692 180.179 -6.487 14.811 769 H SER 693 H SER 693 177.662 -5.669 10.947 770 HA SER 693 HA SER 693 175.022 -4.450 11.306 771 1HB SER 693 1HB SER 693 175.429 -3.472 9.043 772 2HB SER 693 2HB SER 693 176.633 -3.002 10.243 773 HG SER 693 HG SER 693 178.117 -4.019 9.146 774 H LYS 694 H LYS 694 176.435 -7.316 10.120 775 HA LYS 694 HA LYS 694 174.520 -7.824 8.049 776 1HB LYS 694 1HB LYS 694 175.581 -9.877 7.723 777 2HB LYS 694 2HB LYS 694 176.875 -8.827 8.272 778 1HG LYS 694 1HG LYS 694 177.022 -9.871 10.333 779 2HG LYS 694 2HG LYS 694 175.396 -10.541 10.227 780 1HD LYS 694 1HD LYS 694 176.986 -12.315 9.912 781 2HD LYS 694 2HD LYS 694 176.176 -12.000 8.377 782 1HE LYS 694 1HE LYS 694 178.432 -10.319 8.449 783 2HE LYS 694 2HE LYS 694 178.971 -11.900 9.012 784 1HZ LYS 694 1HZ LYS 694 177.449 -11.446 6.504 785 2HZ LYS 694 2HZ LYS 694 178.132 -12.904 7.022 786 3HZ LYS 694 3HZ LYS 694 179.131 -11.611 6.583 787 H SER 695 H SER 695 174.403 -7.975 11.427 788 HA SER 695 HA SER 695 172.332 -10.028 11.475 789 1HB SER 695 1HB SER 695 174.059 -8.713 13.502 790 2HB SER 695 2HB SER 695 172.458 -9.226 14.038 791 HG SER 695 HG SER 695 173.267 -11.151 14.146 792 H GLU 696 H GLU 696 172.600 -6.635 11.265 793 HA GLU 696 HA GLU 696 170.134 -5.996 12.578 794 1HB GLU 696 1HB GLU 696 172.238 -4.529 11.117 795 2HB GLU 696 2HB GLU 696 170.627 -3.831 11.020 796 1HG GLU 696 1HG GLU 696 170.517 -3.863 13.492 797 2HG GLU 696 2HG GLU 696 172.186 -4.431 13.522 798 HA PRO 697 HA PRO 697 167.334 -7.140 9.329 799 1HB PRO 697 1HB PRO 697 165.705 -4.869 10.329 800 2HB PRO 697 2HB PRO 697 165.267 -6.568 10.132 801 1HG PRO 697 1HG PRO 697 165.710 -5.540 12.553 802 2HG PRO 697 2HG PRO 697 166.228 -7.188 12.146 803 1HD PRO 697 1HD PRO 697 167.852 -4.687 12.358 804 2HD PRO 697 2HD PRO 697 168.261 -6.345 12.845 805 H GLN 698 H GLN 698 168.650 -3.957 9.718 806 HA GLN 698 HA GLN 698 168.224 -3.472 6.861 807 1HB GLN 698 1HB GLN 698 166.483 -2.236 8.144 808 2HB GLN 698 2HB GLN 698 167.763 -1.373 8.986 809 1HG GLN 698 1HG GLN 698 168.545 -0.530 6.774 810 2HG GLN 698 2HG GLN 698 167.109 -1.258 6.055 811 1HE2 GLN 698 1HE2 GLN 698 166.041 0.532 5.432 812 2HE2 GLN 698 2HE2 GLN 698 165.483 1.763 6.508 813 H VAL 699 H VAL 699 169.735 -2.016 5.902 814 HA VAL 699 HA VAL 699 172.092 -1.374 7.531 815 HB VAL 699 HB VAL 699 172.119 -2.849 4.895 816 1HG1 VAL 699 1HG1 VAL 699 173.823 -1.119 4.813 817 2HG1 VAL 699 2HG1 VAL 699 174.572 -2.708 4.996 818 3HG1 VAL 699 3HG1 VAL 699 174.441 -1.629 6.386 819 1HG2 VAL 699 1HG2 VAL 699 173.713 -3.772 7.190 820 2HG2 VAL 699 2HG2 VAL 699 172.745 -4.689 6.034 821 3HG2 VAL 699 3HG2 VAL 699 171.962 -3.872 7.388 822 H GLU 700 H GLU 700 173.324 0.366 6.800 823 HA GLU 700 HA GLU 700 172.189 1.933 4.584 824 1HB GLU 700 1HB GLU 700 171.538 2.801 6.880 825 2HB GLU 700 2HB GLU 700 173.242 3.147 7.142 826 1HG GLU 700 1HG GLU 700 172.500 4.267 4.648 827 2HG GLU 700 2HG GLU 700 171.285 4.729 5.839 828 H ILE 701 H ILE 701 173.723 1.883 3.054 829 HA ILE 701 HA ILE 701 176.509 2.312 3.903 830 HB ILE 701 HB ILE 701 176.958 1.177 1.561 831 1HG1 ILE 701 1HG1 ILE 701 174.289 0.028 2.413 832 2HG1 ILE 701 2HG1 ILE 701 174.641 0.878 0.913 833 1HG2 ILE 701 1HG2 ILE 701 176.348 -0.219 4.154 834 2HG2 ILE 701 2HG2 ILE 701 177.911 0.344 3.560 835 3HG2 ILE 701 3HG2 ILE 701 177.108 -1.019 2.778 836 1HD1 ILE 701 1HD1 ILE 701 175.865 -0.919 0.054 837 2HD1 ILE 701 2HD1 ILE 701 174.455 -1.655 0.821 838 3HD1 ILE 701 3HD1 ILE 701 176.020 -1.680 1.639 839 H ILE 702 H ILE 702 177.708 3.811 2.890 840 HA ILE 702 HA ILE 702 176.393 5.378 0.767 841 HB ILE 702 HB ILE 702 178.467 6.514 2.617 842 1HG1 ILE 702 1HG1 ILE 702 176.733 5.705 4.097 843 2HG1 ILE 702 2HG1 ILE 702 176.593 7.456 3.968 844 1HG2 ILE 702 1HG2 ILE 702 177.443 7.518 0.359 845 2HG2 ILE 702 2HG2 ILE 702 177.967 8.519 1.711 846 3HG2 ILE 702 3HG2 ILE 702 176.259 8.128 1.514 847 1HD1 ILE 702 1HD1 ILE 702 174.468 5.999 3.876 848 2HD1 ILE 702 2HD1 ILE 702 174.954 5.682 2.210 849 3HD1 ILE 702 3HD1 ILE 702 174.646 7.335 2.741 850 H VAL 703 H VAL 703 177.656 6.078 -0.969 851 HA VAL 703 HA VAL 703 180.378 4.956 -1.091 852 HB VAL 703 HB VAL 703 179.960 4.586 -3.553 853 1HG1 VAL 703 1HG1 VAL 703 178.752 2.457 -3.177 854 2HG1 VAL 703 2HG1 VAL 703 178.385 2.994 -1.537 855 3HG1 VAL 703 3HG1 VAL 703 180.060 2.734 -2.028 856 1HG2 VAL 703 1HG2 VAL 703 177.953 4.920 -4.511 857 2HG2 VAL 703 2HG2 VAL 703 177.673 5.996 -3.143 858 3HG2 VAL 703 3HG2 VAL 703 177.070 4.340 -3.099 859 H SER 704 H SER 704 181.434 5.851 -3.256 860 HA SER 704 HA SER 704 180.830 8.688 -3.609 861 1HB SER 704 1HB SER 704 182.438 8.843 -1.862 862 2HB SER 704 2HB SER 704 183.458 7.604 -2.592 863 HG SER 704 HG SER 704 183.973 9.038 -4.235 864 H ARG 705 H ARG 705 180.651 8.961 -5.724 865 HA ARG 705 HA ARG 705 182.006 7.176 -7.564 866 1HB ARG 705 1HB ARG 705 179.559 8.259 -7.660 867 2HB ARG 705 2HB ARG 705 180.432 9.493 -8.559 868 1HG ARG 705 1HG ARG 705 181.243 7.772 -10.107 869 2HG ARG 705 2HG ARG 705 180.324 6.555 -9.217 870 1HD ARG 705 1HD ARG 705 178.746 8.882 -10.033 871 2HD ARG 705 2HD ARG 705 179.417 7.966 -11.380 872 HE ARG 705 HE ARG 705 178.083 6.161 -10.808 873 1HH1 ARG 705 1HH1 ARG 705 177.780 8.694 -8.421 874 2HH1 ARG 705 2HH1 ARG 705 176.380 7.996 -7.680 875 1HH2 ARG 705 1HH2 ARG 705 176.243 5.246 -9.831 876 2HH2 ARG 705 2HH2 ARG 705 175.508 6.041 -8.479 877 H GLU 943 H GLU 943 191.170 -10.732 -4.058 878 HA GLU 943 HA GLU 943 190.146 -13.064 -2.605 879 1HB GLU 943 1HB GLU 943 191.388 -12.272 -0.664 880 2HB GLU 943 2HB GLU 943 192.495 -12.653 -1.976 881 1HG GLU 943 1HG GLU 943 192.210 -10.080 -2.490 882 2HG GLU 943 2HG GLU 943 191.795 -10.032 -0.777 883 H GLU 944 H GLU 944 188.214 -12.605 -1.778 884 HA GLU 944 HA GLU 944 187.153 -9.929 -1.993 885 1HB GLU 944 1HB GLU 944 185.945 -12.522 -1.032 886 2HB GLU 944 2HB GLU 944 185.068 -11.001 -1.087 887 1HG GLU 944 1HG GLU 944 184.428 -11.944 -3.064 888 2HG GLU 944 2HG GLU 944 185.814 -10.987 -3.583 889 H GLY 945 H GLY 945 185.476 -9.639 0.124 890 1HA GLY 945 1HA GLY 945 187.275 -9.670 2.466 891 2HA GLY 945 2HA GLY 945 186.359 -8.237 2.029 892 H ILE 946 H ILE 946 183.888 -8.748 1.768 893 HA ILE 946 HA ILE 946 183.037 -10.642 3.839 894 HB ILE 946 HB ILE 946 181.376 -8.310 4.015 895 1HG1 ILE 946 1HG1 ILE 946 183.702 -7.331 3.239 896 2HG1 ILE 946 2HG1 ILE 946 182.796 -6.563 4.528 897 1HG2 ILE 946 1HG2 ILE 946 181.584 -10.043 5.716 898 2HG2 ILE 946 2HG2 ILE 946 181.975 -8.459 6.385 899 3HG2 ILE 946 3HG2 ILE 946 183.267 -9.590 5.990 900 1HD1 ILE 946 1HD1 ILE 946 184.209 -7.407 6.185 901 2HD1 ILE 946 2HD1 ILE 946 185.280 -6.881 4.884 902 3HD1 ILE 946 3HD1 ILE 946 184.915 -8.594 5.087 903 H TRP 947 H TRP 947 180.848 -11.265 3.735 904 HA TRP 947 HA TRP 947 179.728 -11.060 1.042 905 1HB TRP 947 1HB TRP 947 179.764 -13.110 3.087 906 2HB TRP 947 2HB TRP 947 178.114 -12.772 2.570 907 HD1 TRP 947 HD1 TRP 947 180.362 -15.291 1.855 908 HE1 TRP 947 HE1 TRP 947 180.359 -16.060 -0.601 909 HE3 TRP 947 HE3 TRP 947 178.042 -11.255 -0.260 910 HZ2 TRP 947 HZ2 TRP 947 179.491 -15.083 -3.106 911 HZ3 TRP 947 HZ3 TRP 947 177.662 -11.251 -2.692 912 HH2 TRP 947 HH2 TRP 947 178.373 -13.127 -4.083 913 H ALA 948 H ALA 948 178.269 -9.545 0.675 914 HA ALA 948 HA ALA 948 176.258 -8.971 2.722 915 1HB ALA 948 1HB ALA 948 176.601 -6.484 2.115 916 2HB ALA 948 2HB ALA 948 178.192 -7.006 1.556 917 3HB ALA 948 3HB ALA 948 177.724 -7.247 3.241 Start of MODEL 5 1 H HIS 597 H HIS 597 162.573 1.214 -2.877 2 HA HIS 597 HA HIS 597 162.667 3.044 -1.205 3 1HB HIS 597 1HB HIS 597 164.814 1.239 -0.074 4 2HB HIS 597 2HB HIS 597 164.351 2.831 0.519 5 HD1 HIS 597 HD1 HIS 597 162.433 2.947 2.153 6 HD2 HIS 597 HD2 HIS 597 162.882 -0.819 0.458 7 HE1 HIS 597 HE1 HIS 597 160.887 1.441 3.444 8 HE2 HIS 597 HE2 HIS 597 161.243 -0.850 2.457 9 HA PRO 598 HA PRO 598 165.615 3.616 -4.633 10 1HB PRO 598 1HB PRO 598 165.043 6.242 -5.015 11 2HB PRO 598 2HB PRO 598 164.050 4.938 -5.677 12 1HG PRO 598 1HG PRO 598 163.620 6.579 -3.209 13 2HG PRO 598 2HG PRO 598 162.447 6.097 -4.450 14 1HD PRO 598 1HD PRO 598 162.648 4.822 -2.079 15 2HD PRO 598 2HD PRO 598 162.205 3.975 -3.576 16 H VAL 599 H VAL 599 167.361 5.265 -4.978 17 HA VAL 599 HA VAL 599 168.407 6.223 -2.395 18 HB VAL 599 HB VAL 599 169.777 4.747 -4.604 19 1HG1 VAL 599 1HG1 VAL 599 171.977 5.491 -3.671 20 2HG1 VAL 599 2HG1 VAL 599 171.114 6.753 -2.793 21 3HG1 VAL 599 3HG1 VAL 599 171.100 6.739 -4.556 22 1HG2 VAL 599 1HG2 VAL 599 170.868 3.649 -2.676 23 2HG2 VAL 599 2HG2 VAL 599 169.109 3.525 -2.636 24 3HG2 VAL 599 3HG2 VAL 599 169.936 4.687 -1.597 25 H THR 600 H THR 600 169.661 8.129 -2.417 26 HA THR 600 HA THR 600 169.285 9.803 -4.815 27 HB THR 600 HB THR 600 169.342 11.683 -2.933 28 HG1 THR 600 HG1 THR 600 169.523 9.965 -1.299 29 1HG2 THR 600 1HG2 THR 600 166.893 11.661 -2.829 30 2HG2 THR 600 2HG2 THR 600 166.890 10.063 -3.576 31 3HG2 THR 600 3HG2 THR 600 167.499 11.455 -4.472 32 H TRP 601 H TRP 601 170.898 11.348 -5.265 33 HA TRP 601 HA TRP 601 173.417 11.019 -3.780 34 1HB TRP 601 1HB TRP 601 173.247 11.286 -6.785 35 2HB TRP 601 2HB TRP 601 174.684 10.965 -5.820 36 HD1 TRP 601 HD1 TRP 601 171.281 9.216 -6.514 37 HE1 TRP 601 HE1 TRP 601 171.708 6.680 -6.610 38 HE3 TRP 601 HE3 TRP 601 176.281 9.193 -5.445 39 HZ2 TRP 601 HZ2 TRP 601 173.877 4.904 -6.277 40 HZ3 TRP 601 HZ3 TRP 601 177.457 7.033 -5.353 41 HH2 TRP 601 HH2 TRP 601 176.278 4.934 -5.760 42 H GLN 602 H GLN 602 174.293 12.875 -3.136 43 HA GLN 602 HA GLN 602 173.425 15.360 -4.464 44 1HB GLN 602 1HB GLN 602 173.806 16.459 -2.239 45 2HB GLN 602 2HB GLN 602 172.472 15.314 -2.270 46 1HG GLN 602 1HG GLN 602 174.850 13.934 -1.529 47 2HG GLN 602 2HG GLN 602 174.690 15.379 -0.532 48 1HE2 GLN 602 1HE2 GLN 602 173.503 15.188 1.222 49 2HE2 GLN 602 2HE2 GLN 602 172.290 13.992 1.508 50 HA PRO 603 HA PRO 603 177.537 16.556 -5.458 51 1HB PRO 603 1HB PRO 603 177.652 19.055 -4.185 52 2HB PRO 603 2HB PRO 603 177.100 18.749 -5.833 53 1HG PRO 603 1HG PRO 603 175.511 19.102 -3.337 54 2HG PRO 603 2HG PRO 603 175.139 19.620 -4.991 55 1HD PRO 603 1HD PRO 603 173.929 17.500 -3.908 56 2HD PRO 603 2HD PRO 603 174.407 17.504 -5.620 57 H SER 604 H SER 604 179.510 16.230 -4.633 58 HA SER 604 HA SER 604 179.814 15.334 -1.976 59 1HB SER 604 1HB SER 604 181.229 14.524 -3.811 60 2HB SER 604 2HB SER 604 181.943 16.127 -3.976 61 HG SER 604 HG SER 604 182.248 14.245 -1.909 62 H LYS 605 H LYS 605 182.006 16.280 -0.860 63 HA LYS 605 HA LYS 605 181.194 18.689 0.346 64 1HB LYS 605 1HB LYS 605 183.565 18.644 1.300 65 2HB LYS 605 2HB LYS 605 182.523 17.277 1.667 66 1HG LYS 605 1HG LYS 605 183.904 15.841 0.682 67 2HG LYS 605 2HG LYS 605 184.049 16.852 -0.757 68 1HD LYS 605 1HD LYS 605 186.191 17.053 -0.070 69 2HD LYS 605 2HD LYS 605 185.515 18.294 0.987 70 1HE LYS 605 1HE LYS 605 185.566 15.455 1.904 71 2HE LYS 605 2HE LYS 605 187.049 16.406 1.958 72 1HZ LYS 605 1HZ LYS 605 185.261 16.350 3.926 73 2HZ LYS 605 2HZ LYS 605 184.690 17.688 3.062 74 3HZ LYS 605 3HZ LYS 605 186.282 17.668 3.635 75 H GLU 606 H GLU 606 183.072 18.066 -2.486 76 HA GLU 606 HA GLU 606 183.941 20.874 -2.561 77 1HB GLU 606 1HB GLU 606 185.527 20.087 -4.342 78 2HB GLU 606 2HB GLU 606 185.823 19.416 -2.744 79 1HG GLU 606 1HG GLU 606 184.695 17.351 -3.403 80 2HG GLU 606 2HG GLU 606 184.406 18.024 -5.006 81 H GLY 607 H GLY 607 181.990 18.469 -4.110 82 1HA GLY 607 1HA GLY 607 180.141 19.121 -5.486 83 2HA GLY 607 2HA GLY 607 181.071 20.514 -6.013 84 H ASP 608 H ASP 608 183.499 18.998 -6.509 85 HA ASP 608 HA ASP 608 183.024 18.283 -9.200 86 1HB ASP 608 1HB ASP 608 185.234 18.957 -7.764 87 2HB ASP 608 2HB ASP 608 185.477 17.223 -7.955 88 H ARG 609 H ARG 609 182.463 16.539 -6.376 89 HA ARG 609 HA ARG 609 182.459 14.016 -7.892 90 1HB ARG 609 1HB ARG 609 182.837 14.150 -4.908 91 2HB ARG 609 2HB ARG 609 183.129 12.791 -5.983 92 1HG ARG 609 1HG ARG 609 184.860 14.553 -7.019 93 2HG ARG 609 2HG ARG 609 184.838 15.105 -5.343 94 1HD ARG 609 1HD ARG 609 185.465 12.327 -6.332 95 2HD ARG 609 2HD ARG 609 186.598 13.481 -5.628 96 HE ARG 609 HE ARG 609 184.445 12.898 -3.856 97 1HH1 ARG 609 1HH1 ARG 609 187.473 11.658 -5.069 98 2HH1 ARG 609 2HH1 ARG 609 187.795 10.710 -3.657 99 1HH2 ARG 609 1HH2 ARG 609 184.866 11.650 -1.997 100 2HH2 ARG 609 2HH2 ARG 609 186.314 10.705 -1.913 101 H LEU 610 H LEU 610 180.841 12.439 -7.142 102 HA LEU 610 HA LEU 610 178.452 13.803 -6.085 103 1HB LEU 610 1HB LEU 610 178.806 12.514 -8.538 104 2HB LEU 610 2HB LEU 610 177.879 11.385 -7.571 105 HG LEU 610 HG LEU 610 176.500 12.919 -8.979 106 1HD1 LEU 610 1HD1 LEU 610 175.127 12.117 -7.388 107 2HD1 LEU 610 2HD1 LEU 610 175.202 13.768 -6.776 108 3HD1 LEU 610 3HD1 LEU 610 176.233 12.521 -6.076 109 1HD2 LEU 610 1HD2 LEU 610 176.343 15.211 -8.542 110 2HD2 LEU 610 2HD2 LEU 610 178.077 14.885 -8.533 111 3HD2 LEU 610 3HD2 LEU 610 177.206 15.071 -7.011 112 H ILE 611 H ILE 611 177.873 13.147 -4.140 113 HA ILE 611 HA ILE 611 178.613 10.436 -3.270 114 HB ILE 611 HB ILE 611 177.760 12.706 -1.480 115 1HG1 ILE 611 1HG1 ILE 611 179.778 13.362 -2.736 116 2HG1 ILE 611 2HG1 ILE 611 180.131 13.110 -1.030 117 1HG2 ILE 611 1HG2 ILE 611 179.553 10.540 -0.574 118 2HG2 ILE 611 2HG2 ILE 611 177.879 10.095 -0.904 119 3HG2 ILE 611 3HG2 ILE 611 178.239 11.358 0.273 120 1HD1 ILE 611 1HD1 ILE 611 181.478 11.350 -1.432 121 2HD1 ILE 611 2HD1 ILE 611 181.636 12.133 -3.005 122 3HD1 ILE 611 3HD1 ILE 611 180.517 10.785 -2.798 123 H GLY 612 H GLY 612 177.092 9.049 -2.425 124 1HA GLY 612 1HA GLY 612 174.304 9.991 -2.351 125 2HA GLY 612 2HA GLY 612 174.711 8.571 -3.303 126 H ARG 613 H ARG 613 172.827 8.496 -1.269 127 HA ARG 613 HA ARG 613 174.213 6.954 0.824 128 1HB ARG 613 1HB ARG 613 173.045 8.930 1.701 129 2HB ARG 613 2HB ARG 613 171.546 8.372 0.971 130 1HG ARG 613 1HG ARG 613 171.962 6.243 2.415 131 2HG ARG 613 2HG ARG 613 173.000 7.321 3.351 132 1HD ARG 613 1HD ARG 613 170.095 7.817 2.705 133 2HD ARG 613 2HD ARG 613 170.707 7.210 4.243 134 HE ARG 613 HE ARG 613 171.874 9.711 3.431 135 1HH1 ARG 613 1HH1 ARG 613 169.205 8.203 5.100 136 2HH1 ARG 613 2HH1 ARG 613 168.858 9.597 6.066 137 1HH2 ARG 613 1HH2 ARG 613 171.419 11.546 4.700 138 2HH2 ARG 613 2HH2 ARG 613 170.115 11.496 5.839 139 H VAL 614 H VAL 614 173.867 4.809 0.816 140 HA VAL 614 HA VAL 614 171.468 3.839 -0.588 141 HB VAL 614 HB VAL 614 174.117 2.407 -0.388 142 1HG1 VAL 614 1HG1 VAL 614 172.836 1.263 -2.450 143 2HG1 VAL 614 2HG1 VAL 614 171.454 1.706 -1.449 144 3HG1 VAL 614 3HG1 VAL 614 172.723 0.674 -0.791 145 1HG2 VAL 614 1HG2 VAL 614 174.595 3.051 -2.605 146 2HG2 VAL 614 2HG2 VAL 614 174.095 4.529 -1.781 147 3HG2 VAL 614 3HG2 VAL 614 172.970 3.692 -2.852 148 H ILE 615 H ILE 615 170.135 2.540 0.480 149 HA ILE 615 HA ILE 615 171.027 1.482 3.081 150 HB ILE 615 HB ILE 615 168.173 2.033 2.267 151 1HG1 ILE 615 1HG1 ILE 615 168.461 3.955 3.968 152 2HG1 ILE 615 2HG1 ILE 615 170.189 3.753 3.699 153 1HG2 ILE 615 1HG2 ILE 615 169.468 1.387 4.910 154 2HG2 ILE 615 2HG2 ILE 615 168.362 0.366 3.989 155 3HG2 ILE 615 3HG2 ILE 615 167.782 1.868 4.710 156 1HD1 ILE 615 1HD1 ILE 615 168.798 5.494 2.332 157 2HD1 ILE 615 2HD1 ILE 615 168.407 4.085 1.344 158 3HD1 ILE 615 3HD1 ILE 615 170.090 4.566 1.569 159 H LEU 616 H LEU 616 171.066 -0.672 3.315 160 HA LEU 616 HA LEU 616 169.496 -2.299 1.433 161 1HB LEU 616 1HB LEU 616 172.387 -2.227 1.851 162 2HB LEU 616 2HB LEU 616 171.712 -3.843 1.968 163 HG LEU 616 HG LEU 616 171.284 -1.998 -0.380 164 1HD1 LEU 616 1HD1 LEU 616 172.915 -4.418 -0.699 165 2HD1 LEU 616 2HD1 LEU 616 173.658 -3.128 0.246 166 3HD1 LEU 616 3HD1 LEU 616 173.109 -2.813 -1.401 167 1HD2 LEU 616 1HD2 LEU 616 170.951 -4.904 -0.622 168 2HD2 LEU 616 2HD2 LEU 616 169.987 -3.587 -1.285 169 3HD2 LEU 616 3HD2 LEU 616 169.755 -4.090 0.388 170 H ASN 617 H ASN 617 168.424 -3.989 2.271 171 HA ASN 617 HA ASN 617 168.742 -4.477 5.155 172 1HB ASN 617 1HB ASN 617 166.395 -4.633 3.292 173 2HB ASN 617 2HB ASN 617 166.393 -5.555 4.793 174 1HD2 ASN 617 1HD2 ASN 617 165.035 -4.526 6.086 175 2HD2 ASN 617 2HD2 ASN 617 165.083 -2.840 6.461 176 H LYS 618 H LYS 618 168.944 -6.570 5.941 177 HA LYS 618 HA LYS 618 169.617 -8.580 3.913 178 1HB LYS 618 1HB LYS 618 170.305 -9.036 6.765 179 2HB LYS 618 2HB LYS 618 171.216 -9.424 5.315 180 1HG LYS 618 1HG LYS 618 171.991 -7.184 5.105 181 2HG LYS 618 2HG LYS 618 170.892 -6.625 6.367 182 1HD LYS 618 1HD LYS 618 172.706 -6.840 7.687 183 2HD LYS 618 2HD LYS 618 172.245 -8.543 7.706 184 1HE LYS 618 1HE LYS 618 174.401 -8.813 7.073 185 2HE LYS 618 2HE LYS 618 173.714 -8.526 5.476 186 1HZ LYS 618 1HZ LYS 618 175.510 -7.093 5.559 187 2HZ LYS 618 2HZ LYS 618 175.257 -6.680 7.180 188 3HZ LYS 618 3HZ LYS 618 174.225 -6.079 5.983 189 H ARG 619 H ARG 619 167.647 -7.984 6.751 190 HA ARG 619 HA ARG 619 166.733 -10.624 7.140 191 1HB ARG 619 1HB ARG 619 165.846 -7.918 8.007 192 2HB ARG 619 2HB ARG 619 164.698 -9.241 8.160 193 1HG ARG 619 1HG ARG 619 167.030 -10.281 9.212 194 2HG ARG 619 2HG ARG 619 167.029 -8.605 9.763 195 1HD ARG 619 1HD ARG 619 164.412 -9.453 10.134 196 2HD ARG 619 2HD ARG 619 165.391 -10.840 10.613 197 HE ARG 619 HE ARG 619 165.038 -8.460 12.077 198 1HH1 ARG 619 1HH1 ARG 619 167.523 -10.748 11.198 199 2HH1 ARG 619 2HH1 ARG 619 168.473 -10.449 12.614 200 1HH2 ARG 619 1HH2 ARG 619 166.287 -8.066 13.939 201 2HH2 ARG 619 2HH2 ARG 619 167.772 -8.927 14.171 202 H THR 620 H THR 620 165.754 -8.103 4.934 203 HA THR 620 HA THR 620 163.229 -9.271 4.266 204 HB THR 620 HB THR 620 163.666 -6.875 3.946 205 HG1 THR 620 HG1 THR 620 162.655 -6.736 1.994 206 1HG2 THR 620 1HG2 THR 620 165.158 -5.964 2.469 207 2HG2 THR 620 2HG2 THR 620 165.293 -7.445 1.520 208 3HG2 THR 620 3HG2 THR 620 166.079 -7.332 3.095 209 H THR 621 H THR 621 166.484 -9.392 2.913 210 HA THR 621 HA THR 621 167.449 -10.722 1.342 211 HB THR 621 HB THR 621 165.463 -12.863 1.385 212 HG1 THR 621 HG1 THR 621 165.407 -13.230 3.512 213 1HG2 THR 621 1HG2 THR 621 167.979 -12.962 0.866 214 2HG2 THR 621 2HG2 THR 621 167.254 -14.252 1.826 215 3HG2 THR 621 3HG2 THR 621 168.179 -12.977 2.618 216 H MET 622 H MET 622 166.546 -12.436 -0.568 217 HA MET 622 HA MET 622 165.255 -10.612 -2.405 218 1HB MET 622 1HB MET 622 166.819 -13.108 -2.606 219 2HB MET 622 2HB MET 622 165.585 -12.894 -3.838 220 1HG MET 622 1HG MET 622 166.846 -11.453 -4.940 221 2HG MET 622 2HG MET 622 167.065 -10.462 -3.498 222 1HE MET 622 1HE MET 622 168.658 -13.144 -1.750 223 2HE MET 622 2HE MET 622 168.545 -11.398 -1.528 224 3HE MET 622 3HE MET 622 170.118 -12.154 -1.790 225 HA PRO 623 HA PRO 623 161.220 -12.378 -2.066 226 1HB PRO 623 1HB PRO 623 160.141 -11.621 -4.408 227 2HB PRO 623 2HB PRO 623 160.541 -10.450 -3.144 228 1HG PRO 623 1HG PRO 623 162.066 -11.161 -5.620 229 2HG PRO 623 2HG PRO 623 161.756 -9.563 -4.917 230 1HD PRO 623 1HD PRO 623 164.101 -10.932 -4.589 231 2HD PRO 623 2HD PRO 623 163.479 -9.754 -3.417 232 H LYS 624 H LYS 624 163.243 -13.204 -4.804 233 HA LYS 624 HA LYS 624 161.529 -15.355 -5.680 234 1HB LYS 624 1HB LYS 624 163.362 -15.851 -7.270 235 2HB LYS 624 2HB LYS 624 162.824 -14.180 -7.348 236 1HG LYS 624 1HG LYS 624 165.090 -14.734 -5.544 237 2HG LYS 624 2HG LYS 624 165.398 -14.904 -7.272 238 1HD LYS 624 1HD LYS 624 163.891 -12.501 -6.685 239 2HD LYS 624 2HD LYS 624 165.416 -12.546 -5.798 240 1HE LYS 624 1HE LYS 624 166.676 -12.422 -7.684 241 2HE LYS 624 2HE LYS 624 165.503 -13.309 -8.657 242 1HZ LYS 624 1HZ LYS 624 164.146 -11.077 -8.166 243 2HZ LYS 624 2HZ LYS 624 165.142 -11.277 -9.519 244 3HZ LYS 624 3HZ LYS 624 165.721 -10.456 -8.159 245 H GLU 625 H GLU 625 164.416 -14.986 -3.723 246 HA GLU 625 HA GLU 625 164.056 -17.341 -2.288 247 1HB GLU 625 1HB GLU 625 165.932 -18.719 -3.193 248 2HB GLU 625 2HB GLU 625 164.561 -18.584 -4.285 249 1HG GLU 625 1HG GLU 625 165.697 -17.201 -5.752 250 2HG GLU 625 2HG GLU 625 166.884 -16.723 -4.539 251 H SER 626 H SER 626 165.661 -17.658 -0.690 252 HA SER 626 HA SER 626 166.954 -15.343 0.191 253 1HB SER 626 1HB SER 626 167.946 -18.045 1.026 254 2HB SER 626 2HB SER 626 167.686 -16.599 2.002 255 HG SER 626 HG SER 626 165.394 -16.952 1.603 256 H GLY 627 H GLY 627 168.861 -14.437 -0.259 257 1HA GLY 627 1HA GLY 627 170.606 -15.805 -2.170 258 2HA GLY 627 2HA GLY 627 170.644 -14.092 -1.777 259 H ALA 628 H ALA 628 171.263 -13.652 0.592 260 HA ALA 628 HA ALA 628 172.825 -15.509 2.017 261 1HB ALA 628 1HB ALA 628 174.427 -13.543 0.391 262 2HB ALA 628 2HB ALA 628 174.334 -15.280 0.102 263 3HB ALA 628 3HB ALA 628 175.063 -14.672 1.588 264 H LEU 629 H LEU 629 173.419 -12.089 1.279 265 HA LEU 629 HA LEU 629 172.732 -11.463 4.070 266 1HB LEU 629 1HB LEU 629 174.596 -9.640 2.679 267 2HB LEU 629 2HB LEU 629 174.554 -10.142 4.352 268 HG LEU 629 HG LEU 629 176.577 -10.942 3.432 269 1HD1 LEU 629 1HD1 LEU 629 176.494 -12.985 4.291 270 2HD1 LEU 629 2HD1 LEU 629 175.220 -13.509 3.192 271 3HD1 LEU 629 3HD1 LEU 629 174.811 -12.596 4.645 272 1HD2 LEU 629 1HD2 LEU 629 175.946 -12.775 1.440 273 2HD2 LEU 629 2HD2 LEU 629 176.749 -11.221 1.242 274 3HD2 LEU 629 3HD2 LEU 629 175.003 -11.337 1.055 275 H LEU 630 H LEU 630 173.529 -9.210 1.461 276 HA LEU 630 HA LEU 630 170.751 -8.238 1.564 277 1HB LEU 630 1HB LEU 630 172.116 -6.033 0.751 278 2HB LEU 630 2HB LEU 630 171.635 -6.351 2.405 279 HG LEU 630 HG LEU 630 174.276 -7.307 1.419 280 1HD1 LEU 630 1HD1 LEU 630 173.709 -4.528 2.424 281 2HD1 LEU 630 2HD1 LEU 630 174.222 -4.964 0.793 282 3HD1 LEU 630 3HD1 LEU 630 175.312 -5.217 2.156 283 1HD2 LEU 630 1HD2 LEU 630 174.895 -7.295 3.677 284 2HD2 LEU 630 2HD2 LEU 630 173.261 -7.959 3.642 285 3HD2 LEU 630 3HD2 LEU 630 173.522 -6.284 4.128 286 H GLY 631 H GLY 631 173.713 -8.069 -0.482 287 1HA GLY 631 1HA GLY 631 172.843 -9.367 -2.682 288 2HA GLY 631 2HA GLY 631 172.055 -7.810 -2.850 289 H LEU 632 H LEU 632 175.287 -8.100 -1.455 290 HA LEU 632 HA LEU 632 176.606 -7.568 -3.947 291 1HB LEU 632 1HB LEU 632 176.469 -5.361 -3.942 292 2HB LEU 632 2HB LEU 632 175.548 -5.402 -2.456 293 HG LEU 632 HG LEU 632 178.564 -5.360 -2.529 294 1HD1 LEU 632 1HD1 LEU 632 177.941 -3.343 -3.535 295 2HD1 LEU 632 2HD1 LEU 632 178.166 -2.940 -1.833 296 3HD1 LEU 632 3HD1 LEU 632 176.540 -3.156 -2.482 297 1HD2 LEU 632 1HD2 LEU 632 177.965 -4.305 -0.194 298 2HD2 LEU 632 2HD2 LEU 632 178.040 -6.053 -0.401 299 3HD2 LEU 632 3HD2 LEU 632 176.480 -5.230 -0.403 300 H LYS 633 H LYS 633 178.926 -7.489 -3.755 301 HA LYS 633 HA LYS 633 179.886 -8.586 -1.188 302 1HB LYS 633 1HB LYS 633 180.068 -9.680 -3.774 303 2HB LYS 633 2HB LYS 633 181.680 -9.085 -3.404 304 1HG LYS 633 1HG LYS 633 180.731 -10.436 -1.108 305 2HG LYS 633 2HG LYS 633 180.398 -11.459 -2.507 306 1HD LYS 633 1HD LYS 633 183.005 -10.399 -2.833 307 2HD LYS 633 2HD LYS 633 182.880 -10.991 -1.176 308 1HE LYS 633 1HE LYS 633 183.669 -12.657 -2.913 309 2HE LYS 633 2HE LYS 633 182.331 -13.168 -1.886 310 1HZ LYS 633 1HZ LYS 633 182.338 -13.336 -4.559 311 2HZ LYS 633 2HZ LYS 633 181.547 -11.857 -4.341 312 3HZ LYS 633 3HZ LYS 633 180.933 -13.257 -3.617 313 H VAL 634 H VAL 634 181.324 -7.379 -0.112 314 HA VAL 634 HA VAL 634 182.701 -5.250 -1.614 315 HB VAL 634 HB VAL 634 181.418 -5.209 1.087 316 1HG1 VAL 634 1HG1 VAL 634 182.613 -3.106 1.597 317 2HG1 VAL 634 2HG1 VAL 634 183.650 -3.382 0.198 318 3HG1 VAL 634 3HG1 VAL 634 183.689 -4.504 1.557 319 1HG2 VAL 634 1HG2 VAL 634 179.965 -4.062 -0.148 320 2HG2 VAL 634 2HG2 VAL 634 181.104 -3.913 -1.489 321 3HG2 VAL 634 3HG2 VAL 634 181.158 -2.762 -0.155 322 H VAL 635 H VAL 635 184.732 -4.571 -0.885 323 HA VAL 635 HA VAL 635 186.209 -6.546 0.716 324 HB VAL 635 HB VAL 635 186.640 -5.715 -2.043 325 1HG1 VAL 635 1HG1 VAL 635 188.333 -4.262 -1.151 326 2HG1 VAL 635 2HG1 VAL 635 189.113 -5.659 -1.896 327 3HG1 VAL 635 3HG1 VAL 635 188.972 -5.559 -0.140 328 1HG2 VAL 635 1HG2 VAL 635 186.367 -7.992 -1.425 329 2HG2 VAL 635 2HG2 VAL 635 187.701 -7.895 -0.277 330 3HG2 VAL 635 3HG2 VAL 635 188.017 -7.775 -2.010 331 H GLY 636 H GLY 636 187.245 -5.679 2.397 332 1HA GLY 636 1HA GLY 636 187.718 -2.764 2.356 333 2HA GLY 636 2HA GLY 636 187.377 -3.690 3.808 334 H GLY 637 H GLY 637 189.524 -2.044 3.806 335 1HA GLY 637 1HA GLY 637 191.726 -2.115 4.488 336 2HA GLY 637 2HA GLY 637 191.652 -3.866 4.374 337 H LYS 638 H LYS 638 190.807 -1.928 1.623 338 HA LYS 638 HA LYS 638 193.061 -3.046 0.168 339 1HB LYS 638 1HB LYS 638 190.514 -1.673 -0.594 340 2HB LYS 638 2HB LYS 638 191.841 -1.719 -1.747 341 1HG LYS 638 1HG LYS 638 190.670 -4.164 -0.444 342 2HG LYS 638 2HG LYS 638 190.165 -3.539 -2.015 343 1HD LYS 638 1HD LYS 638 192.079 -4.203 -3.049 344 2HD LYS 638 2HD LYS 638 193.067 -3.967 -1.605 345 1HE LYS 638 1HE LYS 638 192.730 -6.073 -0.872 346 2HE LYS 638 2HE LYS 638 191.056 -6.107 -1.423 347 1HZ LYS 638 1HZ LYS 638 193.360 -6.287 -3.278 348 2HZ LYS 638 2HZ LYS 638 191.735 -6.623 -3.606 349 3HZ LYS 638 3HZ LYS 638 192.623 -7.649 -2.597 350 H MET 639 H MET 639 194.831 -1.895 0.920 351 HA MET 639 HA MET 639 194.988 0.870 1.263 352 1HB MET 639 1HB MET 639 196.651 -1.001 1.935 353 2HB MET 639 2HB MET 639 197.331 -0.763 0.330 354 1HG MET 639 1HG MET 639 198.634 0.731 1.357 355 2HG MET 639 2HG MET 639 197.230 1.787 1.214 356 1HE MET 639 1HE MET 639 195.668 2.445 3.058 357 2HE MET 639 2HE MET 639 197.157 3.367 3.258 358 3HE MET 639 3HE MET 639 196.347 2.686 4.667 359 H THR 640 H THR 640 194.724 2.426 -0.173 360 HA THR 640 HA THR 640 195.199 1.881 -3.005 361 HB THR 640 HB THR 640 193.882 3.815 -3.472 362 HG1 THR 640 HG1 THR 640 193.193 5.191 -1.770 363 1HG2 THR 640 1HG2 THR 640 192.616 2.507 -1.079 364 2HG2 THR 640 2HG2 THR 640 192.558 1.889 -2.729 365 3HG2 THR 640 3HG2 THR 640 191.794 3.429 -2.336 366 H ASP 641 H ASP 641 195.875 4.142 -4.139 367 HA ASP 641 HA ASP 641 198.604 4.501 -3.398 368 1HB ASP 641 1HB ASP 641 196.837 5.786 -5.472 369 2HB ASP 641 2HB ASP 641 198.507 6.289 -5.231 370 H LEU 642 H LEU 642 195.771 5.897 -2.244 371 HA LEU 642 HA LEU 642 196.989 8.469 -1.620 372 1HB LEU 642 1HB LEU 642 194.240 7.397 -0.990 373 2HB LEU 642 2HB LEU 642 194.786 9.033 -0.680 374 HG LEU 642 HG LEU 642 193.455 9.093 -2.651 375 1HD1 LEU 642 1HD1 LEU 642 195.033 9.903 -4.324 376 2HD1 LEU 642 2HD1 LEU 642 196.362 9.144 -3.447 377 3HD1 LEU 642 3HD1 LEU 642 195.466 10.473 -2.712 378 1HD2 LEU 642 1HD2 LEU 642 194.014 6.530 -3.034 379 2HD2 LEU 642 2HD2 LEU 642 195.181 7.215 -4.166 380 3HD2 LEU 642 3HD2 LEU 642 193.463 7.572 -4.345 381 H GLY 643 H GLY 643 197.513 5.616 -0.360 382 1HA GLY 643 1HA GLY 643 198.162 4.833 1.695 383 2HA GLY 643 2HA GLY 643 198.412 6.519 2.122 384 H ARG 644 H ARG 644 195.336 5.041 1.234 385 HA ARG 644 HA ARG 644 194.464 5.160 4.027 386 1HB ARG 644 1HB ARG 644 193.084 6.521 1.711 387 2HB ARG 644 2HB ARG 644 192.320 6.238 3.269 388 1HG ARG 644 1HG ARG 644 194.731 7.479 3.885 389 2HG ARG 644 2HG ARG 644 194.137 8.326 2.456 390 1HD ARG 644 1HD ARG 644 191.863 8.153 3.897 391 2HD ARG 644 2HD ARG 644 193.052 8.227 5.196 392 HE ARG 644 HE ARG 644 192.278 10.354 3.444 393 1HH1 ARG 644 1HH1 ARG 644 194.891 9.104 5.389 394 2HH1 ARG 644 2HH1 ARG 644 195.635 10.651 5.608 395 1HH2 ARG 644 1HH2 ARG 644 193.255 12.392 3.732 396 2HH2 ARG 644 2HH2 ARG 644 194.706 12.518 4.667 397 H LEU 645 H LEU 645 192.990 3.621 4.597 398 HA LEU 645 HA LEU 645 192.524 1.513 2.653 399 1HB LEU 645 1HB LEU 645 191.996 1.702 5.616 400 2HB LEU 645 2HB LEU 645 191.570 0.306 4.646 401 HG LEU 645 HG LEU 645 194.333 1.337 5.262 402 1HD1 LEU 645 1HD1 LEU 645 194.591 -0.505 6.579 403 2HD1 LEU 645 2HD1 LEU 645 193.440 -1.467 5.653 404 3HD1 LEU 645 3HD1 LEU 645 192.859 -0.244 6.783 405 1HD2 LEU 645 1HD2 LEU 645 193.381 -0.253 2.996 406 2HD2 LEU 645 2HD2 LEU 645 194.698 -1.000 3.901 407 3HD2 LEU 645 3HD2 LEU 645 194.900 0.614 3.220 408 H GLY 646 H GLY 646 190.523 0.776 1.990 409 1HA GLY 646 1HA GLY 646 188.126 2.136 2.949 410 2HA GLY 646 2HA GLY 646 188.535 2.374 1.257 411 H ALA 647 H ALA 647 186.360 1.399 0.996 412 HA ALA 647 HA ALA 647 186.556 -1.540 0.976 413 1HB ALA 647 1HB ALA 647 183.907 -1.237 1.046 414 2HB ALA 647 2HB ALA 647 184.376 0.222 1.919 415 3HB ALA 647 3HB ALA 647 184.891 -1.360 2.504 416 H PHE 648 H PHE 648 185.887 -2.614 -0.878 417 HA PHE 648 HA PHE 648 184.777 -0.968 -3.045 418 1HB PHE 648 1HB PHE 648 187.231 -2.718 -3.206 419 2HB PHE 648 2HB PHE 648 186.337 -2.201 -4.632 420 HD1 PHE 648 HD1 PHE 648 188.904 -1.380 -2.330 421 HD2 PHE 648 HD2 PHE 648 186.018 0.332 -4.947 422 HE1 PHE 648 HE1 PHE 648 190.186 0.719 -2.364 423 HE2 PHE 648 HE2 PHE 648 187.296 2.435 -4.986 424 HZ PHE 648 HZ PHE 648 189.384 2.630 -3.694 425 H ILE 649 H ILE 649 183.264 -1.968 -4.279 426 HA ILE 649 HA ILE 649 182.266 -4.496 -3.369 427 HB ILE 649 HB ILE 649 181.373 -2.768 -5.678 428 1HG1 ILE 649 1HG1 ILE 649 179.965 -3.110 -3.042 429 2HG1 ILE 649 2HG1 ILE 649 181.250 -1.920 -3.231 430 1HG2 ILE 649 1HG2 ILE 649 179.939 -4.355 -6.268 431 2HG2 ILE 649 2HG2 ILE 649 179.327 -4.472 -4.618 432 3HG2 ILE 649 3HG2 ILE 649 180.714 -5.441 -5.115 433 1HD1 ILE 649 1HD1 ILE 649 178.632 -1.439 -3.674 434 2HD1 ILE 649 2HD1 ILE 649 179.181 -1.835 -5.303 435 3HD1 ILE 649 3HD1 ILE 649 179.953 -0.527 -4.404 436 H THR 650 H THR 650 182.904 -6.418 -4.052 437 HA THR 650 HA THR 650 184.582 -6.657 -6.390 438 HB THR 650 HB THR 650 185.161 -8.774 -5.629 439 HG1 THR 650 HG1 THR 650 183.192 -9.765 -5.515 440 1HG2 THR 650 1HG2 THR 650 185.103 -6.785 -3.706 441 2HG2 THR 650 2HG2 THR 650 186.023 -8.287 -3.652 442 3HG2 THR 650 3HG2 THR 650 184.430 -8.202 -2.901 443 H LYS 651 H LYS 651 181.275 -7.435 -5.507 444 HA LYS 651 HA LYS 651 180.516 -7.698 -8.225 445 1HB LYS 651 1HB LYS 651 180.046 -10.008 -8.420 446 2HB LYS 651 2HB LYS 651 181.688 -9.896 -7.805 447 1HG LYS 651 1HG LYS 651 180.927 -10.423 -5.570 448 2HG LYS 651 2HG LYS 651 179.249 -10.431 -6.119 449 1HD LYS 651 1HD LYS 651 181.233 -12.217 -7.456 450 2HD LYS 651 2HD LYS 651 180.589 -12.674 -5.878 451 1HE LYS 651 1HE LYS 651 178.759 -11.860 -8.105 452 2HE LYS 651 2HE LYS 651 179.390 -13.503 -8.013 453 1HZ LYS 651 1HZ LYS 651 177.214 -13.247 -6.935 454 2HZ LYS 651 2HZ LYS 651 177.889 -12.150 -5.838 455 3HZ LYS 651 3HZ LYS 651 178.408 -13.760 -5.851 456 H VAL 652 H VAL 652 178.307 -7.808 -8.544 457 HA VAL 652 HA VAL 652 176.646 -7.615 -6.112 458 HB VAL 652 HB VAL 652 175.188 -6.286 -8.033 459 1HG1 VAL 652 1HG1 VAL 652 175.559 -5.685 -5.649 460 2HG1 VAL 652 2HG1 VAL 652 175.597 -4.310 -6.754 461 3HG1 VAL 652 3HG1 VAL 652 177.103 -4.974 -6.117 462 1HG2 VAL 652 1HG2 VAL 652 177.968 -5.189 -8.297 463 2HG2 VAL 652 2HG2 VAL 652 176.532 -4.803 -9.243 464 3HG2 VAL 652 3HG2 VAL 652 177.321 -6.367 -9.438 465 H LYS 653 H LYS 653 174.771 -8.775 -6.059 466 HA LYS 653 HA LYS 653 174.425 -10.798 -8.093 467 1HB LYS 653 1HB LYS 653 174.150 -11.129 -5.567 468 2HB LYS 653 2HB LYS 653 172.603 -10.312 -5.743 469 1HG LYS 653 1HG LYS 653 173.180 -12.612 -7.529 470 2HG LYS 653 2HG LYS 653 172.807 -12.936 -5.834 471 1HD LYS 653 1HD LYS 653 170.698 -11.796 -6.024 472 2HD LYS 653 2HD LYS 653 171.088 -11.258 -7.659 473 1HE LYS 653 1HE LYS 653 169.668 -13.078 -7.993 474 2HE LYS 653 2HE LYS 653 171.281 -13.752 -8.223 475 1HZ LYS 653 1HZ LYS 653 170.370 -13.886 -5.501 476 2HZ LYS 653 2HZ LYS 653 171.034 -15.095 -6.478 477 3HZ LYS 653 3HZ LYS 653 169.382 -14.748 -6.570 478 H LYS 654 H LYS 654 173.491 -10.170 -9.939 479 HA LYS 654 HA LYS 654 171.781 -8.009 -10.305 480 1HB LYS 654 1HB LYS 654 171.224 -9.010 -12.470 481 2HB LYS 654 2HB LYS 654 172.950 -9.108 -12.150 482 1HG LYS 654 1HG LYS 654 172.283 -11.482 -11.208 483 2HG LYS 654 2HG LYS 654 170.921 -11.267 -12.310 484 1HD LYS 654 1HD LYS 654 172.324 -12.137 -13.840 485 2HD LYS 654 2HD LYS 654 172.993 -10.504 -13.888 486 1HE LYS 654 1HE LYS 654 174.861 -11.085 -12.718 487 2HE LYS 654 2HE LYS 654 174.035 -12.357 -11.819 488 1HZ LYS 654 1HZ LYS 654 175.753 -12.837 -13.782 489 2HZ LYS 654 2HZ LYS 654 174.319 -12.792 -14.678 490 3HZ LYS 654 3HZ LYS 654 174.480 -13.883 -13.394 491 H GLY 655 H GLY 655 169.998 -7.788 -9.066 492 1HA GLY 655 1HA GLY 655 167.576 -8.349 -9.284 493 2HA GLY 655 2HA GLY 655 168.066 -10.025 -9.089 494 H SER 656 H SER 656 170.123 -9.058 -7.061 495 HA SER 656 HA SER 656 168.528 -9.509 -4.760 496 1HB SER 656 1HB SER 656 170.628 -9.054 -3.504 497 2HB SER 656 2HB SER 656 170.850 -10.225 -4.805 498 HG SER 656 HG SER 656 171.365 -7.464 -5.144 499 H LEU 657 H LEU 657 168.845 -7.980 -2.797 500 HA LEU 657 HA LEU 657 167.390 -5.657 -3.242 501 1HB LEU 657 1HB LEU 657 169.178 -6.483 -0.971 502 2HB LEU 657 2HB LEU 657 168.260 -4.991 -0.942 503 HG LEU 657 HG LEU 657 166.638 -7.353 -1.563 504 1HD1 LEU 657 1HD1 LEU 657 166.890 -8.578 0.319 505 2HD1 LEU 657 2HD1 LEU 657 167.343 -7.184 1.297 506 3HD1 LEU 657 3HD1 LEU 657 168.532 -7.938 0.236 507 1HD2 LEU 657 1HD2 LEU 657 165.994 -4.910 -0.942 508 2HD2 LEU 657 2HD2 LEU 657 166.242 -5.461 0.715 509 3HD2 LEU 657 3HD2 LEU 657 165.043 -6.253 -0.308 510 H ALA 658 H ALA 658 170.855 -5.967 -2.568 511 HA ALA 658 HA ALA 658 171.640 -3.351 -2.637 512 1HB ALA 658 1HB ALA 658 173.761 -4.127 -2.734 513 2HB ALA 658 2HB ALA 658 173.419 -5.216 -4.077 514 3HB ALA 658 3HB ALA 658 172.960 -5.669 -2.435 515 H ASP 659 H ASP 659 170.656 -5.321 -5.335 516 HA ASP 659 HA ASP 659 171.666 -3.440 -7.291 517 1HB ASP 659 1HB ASP 659 171.542 -5.998 -7.562 518 2HB ASP 659 2HB ASP 659 169.830 -5.746 -7.884 519 H VAL 660 H VAL 660 168.486 -4.606 -6.244 520 HA VAL 660 HA VAL 660 167.079 -2.746 -7.901 521 HB VAL 660 HB VAL 660 165.118 -3.452 -6.279 522 1HG1 VAL 660 1HG1 VAL 660 165.186 -5.726 -7.691 523 2HG1 VAL 660 2HG1 VAL 660 166.400 -4.799 -8.573 524 3HG1 VAL 660 3HG1 VAL 660 164.764 -4.165 -8.394 525 1HG2 VAL 660 1HG2 VAL 660 167.057 -4.676 -4.901 526 2HG2 VAL 660 2HG2 VAL 660 166.636 -5.977 -6.014 527 3HG2 VAL 660 3HG2 VAL 660 165.402 -5.278 -4.966 528 H VAL 661 H VAL 661 167.624 -2.923 -4.372 529 HA VAL 661 HA VAL 661 166.439 -0.285 -4.064 530 HB VAL 661 HB VAL 661 165.915 -2.018 -2.404 531 1HG1 VAL 661 1HG1 VAL 661 167.616 -3.412 -1.946 532 2HG1 VAL 661 2HG1 VAL 661 167.996 -2.229 -0.695 533 3HG1 VAL 661 3HG1 VAL 661 168.844 -2.182 -2.239 534 1HG2 VAL 661 1HG2 VAL 661 167.299 0.494 -1.568 535 2HG2 VAL 661 2HG2 VAL 661 166.696 -0.626 -0.349 536 3HG2 VAL 661 3HG2 VAL 661 165.585 0.087 -1.518 537 H GLY 662 H GLY 662 169.594 -1.774 -4.126 538 1HA GLY 662 1HA GLY 662 170.892 0.620 -3.094 539 2HA GLY 662 2HA GLY 662 171.687 -0.876 -3.563 540 H HIS 663 H HIS 663 171.146 -1.312 -6.074 541 HA HIS 663 HA HIS 663 171.501 -0.717 -8.236 542 1HB HIS 663 1HB HIS 663 169.806 1.084 -7.691 543 2HB HIS 663 2HB HIS 663 171.166 2.164 -7.402 544 HD1 HIS 663 HD1 HIS 663 170.767 3.719 -9.358 545 HD2 HIS 663 HD2 HIS 663 171.043 -0.272 -10.482 546 HE1 HIS 663 HE1 HIS 663 170.887 3.735 -11.870 547 HE2 HIS 663 HE2 HIS 663 171.149 1.314 -12.521 548 H LEU 664 H LEU 664 173.737 -1.375 -7.086 549 HA LEU 664 HA LEU 664 175.636 0.653 -8.032 550 1HB LEU 664 1HB LEU 664 177.176 -0.344 -6.145 551 2HB LEU 664 2HB LEU 664 176.085 0.986 -5.823 552 HG LEU 664 HG LEU 664 176.134 -0.757 -4.049 553 1HD1 LEU 664 1HD1 LEU 664 173.947 -0.448 -3.526 554 2HD1 LEU 664 2HD1 LEU 664 173.387 -0.837 -5.152 555 3HD1 LEU 664 3HD1 LEU 664 174.096 0.742 -4.818 556 1HD2 LEU 664 1HD2 LEU 664 175.595 -2.923 -4.383 557 2HD2 LEU 664 2HD2 LEU 664 176.181 -2.573 -6.010 558 3HD2 LEU 664 3HD2 LEU 664 174.449 -2.557 -5.674 559 H ARG 665 H ARG 665 177.932 -0.462 -8.131 560 HA ARG 665 HA ARG 665 177.670 -3.221 -9.059 561 1HB ARG 665 1HB ARG 665 178.557 -0.883 -10.721 562 2HB ARG 665 2HB ARG 665 179.136 -2.507 -11.069 563 1HG ARG 665 1HG ARG 665 177.169 -3.165 -11.932 564 2HG ARG 665 2HG ARG 665 176.226 -2.263 -10.745 565 1HD ARG 665 1HD ARG 665 175.765 -0.826 -12.383 566 2HD ARG 665 2HD ARG 665 177.441 -0.292 -12.260 567 HE ARG 665 HE ARG 665 177.887 -1.338 -14.248 568 1HH1 ARG 665 1HH1 ARG 665 174.816 -2.470 -13.038 569 2HH1 ARG 665 2HH1 ARG 665 174.421 -3.331 -14.488 570 1HH2 ARG 665 1HH2 ARG 665 177.369 -2.470 -16.156 571 2HH2 ARG 665 2HH2 ARG 665 175.870 -3.331 -16.257 572 H ALA 666 H ALA 666 179.783 -4.250 -9.469 573 HA ALA 666 HA ALA 666 181.511 -3.952 -7.299 574 1HB ALA 666 1HB ALA 666 182.385 -5.171 -9.894 575 2HB ALA 666 2HB ALA 666 181.193 -5.959 -8.861 576 3HB ALA 666 3HB ALA 666 182.815 -5.635 -8.249 577 H GLY 667 H GLY 667 183.079 -2.571 -6.868 578 1HA GLY 667 1HA GLY 667 185.188 -1.580 -7.789 579 2HA GLY 667 2HA GLY 667 184.182 -0.981 -9.102 580 H ASP 668 H ASP 668 181.974 -0.477 -7.121 581 HA ASP 668 HA ASP 668 182.488 2.244 -6.654 582 1HB ASP 668 1HB ASP 668 180.328 0.363 -6.145 583 2HB ASP 668 2HB ASP 668 180.498 1.528 -4.836 584 H GLU 669 H GLU 669 183.088 3.380 -4.834 585 HA GLU 669 HA GLU 669 184.432 1.786 -2.776 586 1HB GLU 669 1HB GLU 669 185.587 3.647 -4.154 587 2HB GLU 669 2HB GLU 669 184.714 4.758 -3.108 588 1HG GLU 669 1HG GLU 669 185.761 3.657 -1.150 589 2HG GLU 669 2HG GLU 669 186.716 2.678 -2.263 590 H VAL 670 H VAL 670 183.087 1.335 -1.136 591 HA VAL 670 HA VAL 670 181.135 3.298 -0.253 592 HB VAL 670 HB VAL 670 181.689 0.463 0.628 593 1HG1 VAL 670 1HG1 VAL 670 180.932 1.288 2.631 594 2HG1 VAL 670 2HG1 VAL 670 179.397 0.906 1.852 595 3HG1 VAL 670 3HG1 VAL 670 179.984 2.569 1.874 596 1HG2 VAL 670 1HG2 VAL 670 179.160 1.562 -0.554 597 2HG2 VAL 670 2HG2 VAL 670 179.697 -0.116 -0.454 598 3HG2 VAL 670 3HG2 VAL 670 180.492 0.998 -1.566 599 H LEU 671 H LEU 671 182.059 4.924 0.869 600 HA LEU 671 HA LEU 671 184.194 4.406 2.754 601 1HB LEU 671 1HB LEU 671 182.756 7.022 2.411 602 2HB LEU 671 2HB LEU 671 184.387 6.746 2.989 603 HG LEU 671 HG LEU 671 184.832 7.543 0.893 604 1HD1 LEU 671 1HD1 LEU 671 185.677 5.825 -0.414 605 2HD1 LEU 671 2HD1 LEU 671 184.359 4.727 -0.002 606 3HD1 LEU 671 3HD1 LEU 671 185.600 5.103 1.193 607 1HD2 LEU 671 1HD2 LEU 671 183.094 6.290 -0.935 608 2HD2 LEU 671 2HD2 LEU 671 183.139 7.988 -0.463 609 3HD2 LEU 671 3HD2 LEU 671 182.102 6.858 0.408 610 H GLU 672 H GLU 672 180.991 3.890 2.952 611 HA GLU 672 HA GLU 672 181.012 4.237 5.847 612 1HB GLU 672 1HB GLU 672 178.868 5.336 4.035 613 2HB GLU 672 2HB GLU 672 178.717 5.208 5.782 614 1HG GLU 672 1HG GLU 672 181.045 6.563 5.581 615 2HG GLU 672 2HG GLU 672 180.198 7.144 4.148 616 H TRP 673 H TRP 673 180.215 2.508 6.856 617 HA TRP 673 HA TRP 673 178.309 0.780 5.428 618 1HB TRP 673 1HB TRP 673 180.722 -0.098 5.474 619 2HB TRP 673 2HB TRP 673 180.485 -0.318 7.205 620 HD1 TRP 673 HD1 TRP 673 178.498 -2.090 7.919 621 HE1 TRP 673 HE1 TRP 673 177.702 -4.224 6.712 622 HE3 TRP 673 HE3 TRP 673 180.388 -1.143 3.270 623 HZ2 TRP 673 HZ2 TRP 673 177.871 -5.356 4.122 624 HZ3 TRP 673 HZ3 TRP 673 180.022 -2.793 1.489 625 HH2 TRP 673 HH2 TRP 673 178.786 -4.860 1.909 626 H ASN 674 H ASN 674 176.479 0.779 6.561 627 HA ASN 674 HA ASN 674 175.008 0.638 8.288 628 1HB ASN 674 1HB ASN 674 176.545 -1.228 9.028 629 2HB ASN 674 2HB ASN 674 177.356 -0.055 10.060 630 1HD2 ASN 674 1HD2 ASN 674 174.080 -1.194 9.314 631 2HD2 ASN 674 2HD2 ASN 674 173.522 -1.187 10.948 632 H GLY 675 H GLY 675 176.191 3.109 7.597 633 1HA GLY 675 1HA GLY 675 176.064 5.280 8.340 634 2HA GLY 675 2HA GLY 675 175.378 4.665 9.834 635 H LYS 676 H LYS 676 178.467 3.413 8.897 636 HA LYS 676 HA LYS 676 179.734 5.167 10.903 637 1HB LYS 676 1HB LYS 676 180.590 3.382 11.954 638 2HB LYS 676 2HB LYS 676 179.464 2.415 11.017 639 1HG LYS 676 1HG LYS 676 181.098 1.481 9.798 640 2HG LYS 676 2HG LYS 676 181.978 3.002 9.598 641 1HD LYS 676 1HD LYS 676 181.975 1.304 12.099 642 2HD LYS 676 2HD LYS 676 183.247 1.311 10.876 643 1HE LYS 676 1HE LYS 676 183.425 3.808 11.300 644 2HE LYS 676 2HE LYS 676 182.420 3.535 12.720 645 1HZ LYS 676 1HZ LYS 676 184.572 3.410 13.531 646 2HZ LYS 676 2HZ LYS 676 185.156 2.569 12.184 647 3HZ LYS 676 3HZ LYS 676 184.169 1.781 13.310 648 HA PRO 677 HA PRO 677 182.604 6.181 7.693 649 1HB PRO 677 1HB PRO 677 184.630 7.203 9.117 650 2HB PRO 677 2HB PRO 677 183.066 8.024 9.040 651 1HG PRO 677 1HG PRO 677 184.197 6.300 11.208 652 2HG PRO 677 2HG PRO 677 183.282 7.812 11.344 653 1HD PRO 677 1HD PRO 677 182.189 5.303 11.658 654 2HD PRO 677 2HD PRO 677 181.268 6.743 11.188 655 H LEU 678 H LEU 678 183.624 4.648 6.613 656 HA LEU 678 HA LEU 678 185.134 2.572 7.930 657 1HB LEU 678 1HB LEU 678 184.611 3.043 4.997 658 2HB LEU 678 2HB LEU 678 185.354 1.609 5.682 659 HG LEU 678 HG LEU 678 182.544 2.518 6.301 660 1HD1 LEU 678 1HD1 LEU 678 182.597 0.084 4.858 661 2HD1 LEU 678 2HD1 LEU 678 183.562 1.260 3.965 662 3HD1 LEU 678 3HD1 LEU 678 181.889 1.629 4.384 663 1HD2 LEU 678 1HD2 LEU 678 183.250 -0.278 6.700 664 2HD2 LEU 678 2HD2 LEU 678 182.422 0.848 7.777 665 3HD2 LEU 678 3HD2 LEU 678 184.185 0.819 7.715 666 HA PRO 679 HA PRO 679 188.450 4.982 4.944 667 1HB PRO 679 1HB PRO 679 187.653 7.482 6.399 668 2HB PRO 679 2HB PRO 679 188.409 7.305 4.809 669 1HG PRO 679 1HG PRO 679 185.797 7.765 5.013 670 2HG PRO 679 2HG PRO 679 186.429 6.644 3.793 671 1HD PRO 679 1HD PRO 679 184.946 6.076 6.293 672 2HD PRO 679 2HD PRO 679 185.034 5.132 4.793 673 H GLY 680 H GLY 680 190.153 4.142 5.944 674 1HA GLY 680 1HA GLY 680 191.998 4.560 7.450 675 2HA GLY 680 2HA GLY 680 190.838 5.159 8.626 676 H ALA 681 H ALA 681 189.138 2.710 7.678 677 HA ALA 681 HA ALA 681 190.226 0.916 9.705 678 1HB ALA 681 1HB ALA 681 187.630 1.667 8.949 679 2HB ALA 681 2HB ALA 681 188.098 0.488 10.173 680 3HB ALA 681 3HB ALA 681 187.792 -0.035 8.517 681 H THR 682 H THR 682 190.982 -1.103 9.309 682 HA THR 682 HA THR 682 191.570 -1.760 6.539 683 HB THR 682 HB THR 682 193.434 -1.985 7.990 684 HG1 THR 682 HG1 THR 682 193.462 -3.703 6.641 685 1HG2 THR 682 1HG2 THR 682 192.635 -2.082 10.156 686 2HG2 THR 682 2HG2 THR 682 193.323 -3.685 9.895 687 3HG2 THR 682 3HG2 THR 682 191.577 -3.450 9.812 688 H ASN 683 H ASN 683 191.603 -4.359 6.273 689 HA ASN 683 HA ASN 683 188.980 -5.129 5.839 690 1HB ASN 683 1HB ASN 683 189.861 -7.407 5.518 691 2HB ASN 683 2HB ASN 683 190.876 -6.202 4.730 692 1HD2 ASN 683 1HD2 ASN 683 191.549 -8.887 5.587 693 2HD2 ASN 683 2HD2 ASN 683 192.862 -8.729 6.698 694 H GLU 684 H GLU 684 191.069 -5.818 8.612 695 HA GLU 684 HA GLU 684 189.273 -7.558 9.922 696 1HB GLU 684 1HB GLU 684 191.847 -6.424 10.436 697 2HB GLU 684 2HB GLU 684 190.846 -6.212 11.865 698 1HG GLU 684 1HG GLU 684 191.472 -8.799 10.463 699 2HG GLU 684 2HG GLU 684 192.068 -8.269 12.035 700 H GLU 685 H GLU 685 189.685 -4.065 9.986 701 HA GLU 685 HA GLU 685 187.990 -3.549 12.183 702 1HB GLU 685 1HB GLU 685 189.558 -2.019 10.491 703 2HB GLU 685 2HB GLU 685 187.926 -1.510 10.084 704 1HG GLU 685 1HG GLU 685 187.722 -0.340 11.958 705 2HG GLU 685 2HG GLU 685 188.317 -1.674 12.945 706 H VAL 686 H VAL 686 187.342 -3.182 8.701 707 HA VAL 686 HA VAL 686 184.607 -2.785 8.837 708 HB VAL 686 HB VAL 686 186.226 -4.154 6.685 709 1HG1 VAL 686 1HG1 VAL 686 183.404 -3.099 6.560 710 2HG1 VAL 686 2HG1 VAL 686 183.896 -4.791 6.469 711 3HG1 VAL 686 3HG1 VAL 686 184.348 -3.671 5.183 712 1HG2 VAL 686 1HG2 VAL 686 185.111 -1.416 6.411 713 2HG2 VAL 686 2HG2 VAL 686 186.597 -2.106 5.757 714 3HG2 VAL 686 3HG2 VAL 686 186.516 -1.636 7.455 715 H TYR 687 H TYR 687 186.439 -5.799 8.740 716 HA TYR 687 HA TYR 687 184.461 -7.661 8.360 717 1HB TYR 687 1HB TYR 687 187.044 -7.650 9.822 718 2HB TYR 687 2HB TYR 687 185.943 -8.973 10.185 719 HD1 TYR 687 HD1 TYR 687 187.394 -10.671 9.285 720 HD2 TYR 687 HD2 TYR 687 186.107 -7.432 6.849 721 HE1 TYR 687 HE1 TYR 687 188.177 -11.871 7.285 722 HE2 TYR 687 HE2 TYR 687 186.885 -8.621 4.839 723 HH TYR 687 HH TYR 687 187.743 -11.907 4.871 724 H ASN 688 H ASN 688 185.446 -6.230 11.446 725 HA ASN 688 HA ASN 688 183.463 -7.577 12.978 726 1HB ASN 688 1HB ASN 688 185.253 -5.215 13.512 727 2HB ASN 688 2HB ASN 688 184.046 -5.737 14.684 728 1HD2 ASN 688 1HD2 ASN 688 186.981 -6.597 13.013 729 2HD2 ASN 688 2HD2 ASN 688 187.447 -7.873 14.080 730 H ILE 689 H ILE 689 183.614 -4.471 11.341 731 HA ILE 689 HA ILE 689 181.286 -3.345 12.472 732 HB ILE 689 HB ILE 689 182.852 -2.787 9.976 733 1HG1 ILE 689 1HG1 ILE 689 182.560 -0.475 11.442 734 2HG1 ILE 689 2HG1 ILE 689 182.597 -1.713 12.690 735 1HG2 ILE 689 1HG2 ILE 689 180.088 -1.900 10.571 736 2HG2 ILE 689 2HG2 ILE 689 180.892 -2.148 9.021 737 3HG2 ILE 689 3HG2 ILE 689 181.209 -0.685 9.955 738 1HD1 ILE 689 1HD1 ILE 689 184.769 -2.147 12.366 739 2HD1 ILE 689 2HD1 ILE 689 184.779 -0.534 11.652 740 3HD1 ILE 689 3HD1 ILE 689 184.660 -1.956 10.616 741 H ILE 690 H ILE 690 181.689 -4.624 9.157 742 HA ILE 690 HA ILE 690 179.044 -4.693 8.423 743 HB ILE 690 HB ILE 690 181.132 -6.744 7.674 744 1HG1 ILE 690 1HG1 ILE 690 180.471 -3.998 6.626 745 2HG1 ILE 690 2HG1 ILE 690 182.033 -4.633 7.119 746 1HG2 ILE 690 1HG2 ILE 690 179.791 -7.139 5.697 747 2HG2 ILE 690 2HG2 ILE 690 178.627 -5.917 6.207 748 3HG2 ILE 690 3HG2 ILE 690 178.810 -7.403 7.139 749 1HD1 ILE 690 1HD1 ILE 690 182.457 -5.022 4.987 750 2HD1 ILE 690 2HD1 ILE 690 180.806 -4.609 4.532 751 3HD1 ILE 690 3HD1 ILE 690 181.204 -6.260 5.010 752 H LEU 691 H LEU 691 180.872 -7.330 9.977 753 HA LEU 691 HA LEU 691 178.827 -9.194 10.163 754 1HB LEU 691 1HB LEU 691 181.306 -8.646 11.707 755 2HB LEU 691 2HB LEU 691 180.144 -9.753 12.410 756 HG LEU 691 HG LEU 691 180.509 -11.372 10.824 757 1HD1 LEU 691 1HD1 LEU 691 181.418 -10.959 8.577 758 2HD1 LEU 691 2HD1 LEU 691 181.496 -9.234 8.941 759 3HD1 LEU 691 3HD1 LEU 691 179.933 -10.052 8.875 760 1HD2 LEU 691 1HD2 LEU 691 182.960 -9.840 11.424 761 2HD2 LEU 691 2HD2 LEU 691 183.079 -11.051 10.148 762 3HD2 LEU 691 3HD2 LEU 691 182.560 -11.523 11.766 763 H GLU 692 H GLU 692 179.744 -6.692 12.485 764 HA GLU 692 HA GLU 692 177.804 -7.227 14.422 765 1HB GLU 692 1HB GLU 692 179.348 -4.775 13.651 766 2HB GLU 692 2HB GLU 692 178.065 -4.652 14.848 767 1HG GLU 692 1HG GLU 692 180.379 -6.562 15.053 768 2HG GLU 692 2HG GLU 692 180.344 -4.961 15.791 769 H SER 693 H SER 693 177.594 -5.630 11.346 770 HA SER 693 HA SER 693 174.966 -4.525 11.890 771 1HB SER 693 1HB SER 693 176.608 -3.281 10.503 772 2HB SER 693 2HB SER 693 176.529 -4.567 9.299 773 HG SER 693 HG SER 693 174.209 -4.102 9.238 774 H LYS 694 H LYS 694 176.208 -7.498 10.870 775 HA LYS 694 HA LYS 694 174.285 -8.263 8.949 776 1HB LYS 694 1HB LYS 694 176.007 -9.866 10.836 777 2HB LYS 694 2HB LYS 694 174.924 -10.619 9.675 778 1HG LYS 694 1HG LYS 694 176.120 -9.455 7.856 779 2HG LYS 694 2HG LYS 694 177.249 -8.813 9.051 780 1HD LYS 694 1HD LYS 694 178.128 -10.930 9.526 781 2HD LYS 694 2HD LYS 694 176.751 -11.762 8.801 782 1HE LYS 694 1HE LYS 694 178.584 -10.031 7.173 783 2HE LYS 694 2HE LYS 694 178.958 -11.724 7.496 784 1HZ LYS 694 1HZ LYS 694 177.545 -10.918 5.404 785 2HZ LYS 694 2HZ LYS 694 176.283 -11.168 6.502 786 3HZ LYS 694 3HZ LYS 694 177.338 -12.435 6.125 787 H SER 695 H SER 695 174.225 -8.101 12.418 788 HA SER 695 HA SER 695 171.944 -9.790 12.772 789 1HB SER 695 1HB SER 695 173.392 -9.567 14.647 790 2HB SER 695 2HB SER 695 173.339 -7.806 14.568 791 HG SER 695 HG SER 695 171.750 -7.968 15.921 792 H GLU 696 H GLU 696 172.403 -6.492 11.880 793 HA GLU 696 HA GLU 696 169.756 -5.657 12.686 794 1HB GLU 696 1HB GLU 696 172.075 -4.346 11.319 795 2HB GLU 696 2HB GLU 696 170.483 -3.607 11.215 796 1HG GLU 696 1HG GLU 696 170.526 -3.929 13.822 797 2HG GLU 696 2HG GLU 696 172.269 -3.947 13.563 798 HA PRO 697 HA PRO 697 167.807 -6.998 8.928 799 1HB PRO 697 1HB PRO 697 165.483 -5.639 9.145 800 2HB PRO 697 2HB PRO 697 165.862 -7.034 10.161 801 1HG PRO 697 1HG PRO 697 166.070 -4.116 10.798 802 2HG PRO 697 2HG PRO 697 165.440 -5.438 11.799 803 1HD PRO 697 1HD PRO 697 167.940 -4.411 12.103 804 2HD PRO 697 2HD PRO 697 167.539 -6.102 12.463 805 H GLN 698 H GLN 698 168.866 -3.842 9.536 806 HA GLN 698 HA GLN 698 168.523 -3.167 6.708 807 1HB GLN 698 1HB GLN 698 166.739 -1.995 7.897 808 2HB GLN 698 2HB GLN 698 167.911 -1.302 9.009 809 1HG GLN 698 1HG GLN 698 168.886 0.012 7.271 810 2HG GLN 698 2HG GLN 698 167.919 -0.805 6.043 811 1HE2 GLN 698 1HE2 GLN 698 168.100 2.029 6.683 812 2HE2 GLN 698 2HE2 GLN 698 166.495 2.541 7.066 813 H VAL 699 H VAL 699 170.094 -1.765 5.860 814 HA VAL 699 HA VAL 699 172.359 -1.090 7.593 815 HB VAL 699 HB VAL 699 172.509 -2.735 5.068 816 1HG1 VAL 699 1HG1 VAL 699 174.159 -0.948 4.863 817 2HG1 VAL 699 2HG1 VAL 699 174.945 -2.504 5.143 818 3HG1 VAL 699 3HG1 VAL 699 174.795 -1.342 6.463 819 1HG2 VAL 699 1HG2 VAL 699 172.781 -3.255 7.902 820 2HG2 VAL 699 2HG2 VAL 699 174.219 -3.751 7.009 821 3HG2 VAL 699 3HG2 VAL 699 172.638 -4.386 6.556 822 H GLU 700 H GLU 700 173.548 0.687 6.929 823 HA GLU 700 HA GLU 700 172.482 2.157 4.608 824 1HB GLU 700 1HB GLU 700 171.932 3.059 6.959 825 2HB GLU 700 2HB GLU 700 173.632 3.495 7.047 826 1HG GLU 700 1HG GLU 700 173.340 4.837 4.983 827 2HG GLU 700 2HG GLU 700 171.614 4.481 5.047 828 H ILE 701 H ILE 701 173.988 2.034 3.059 829 HA ILE 701 HA ILE 701 176.799 2.432 3.845 830 HB ILE 701 HB ILE 701 177.165 1.289 1.491 831 1HG1 ILE 701 1HG1 ILE 701 174.497 0.198 2.415 832 2HG1 ILE 701 2HG1 ILE 701 174.833 1.028 0.899 833 1HG2 ILE 701 1HG2 ILE 701 177.340 -0.897 2.696 834 2HG2 ILE 701 2HG2 ILE 701 176.590 -0.116 4.088 835 3HG2 ILE 701 3HG2 ILE 701 178.146 0.458 3.488 836 1HD1 ILE 701 1HD1 ILE 701 176.154 -1.562 1.627 837 2HD1 ILE 701 2HD1 ILE 701 176.022 -0.802 0.040 838 3HD1 ILE 701 3HD1 ILE 701 174.590 -1.491 0.811 839 H ILE 702 H ILE 702 177.983 3.935 2.830 840 HA ILE 702 HA ILE 702 176.642 5.511 0.731 841 HB ILE 702 HB ILE 702 178.768 6.585 2.571 842 1HG1 ILE 702 1HG1 ILE 702 176.993 5.893 4.041 843 2HG1 ILE 702 2HG1 ILE 702 176.883 7.640 3.852 844 1HG2 ILE 702 1HG2 ILE 702 177.876 7.622 0.289 845 2HG2 ILE 702 2HG2 ILE 702 178.347 8.619 1.664 846 3HG2 ILE 702 3HG2 ILE 702 176.644 8.263 1.376 847 1HD1 ILE 702 1HD1 ILE 702 174.955 7.506 2.584 848 2HD1 ILE 702 2HD1 ILE 702 174.735 6.226 3.776 849 3HD1 ILE 702 3HD1 ILE 702 175.241 5.824 2.136 850 H VAL 703 H VAL 703 177.830 6.169 -1.048 851 HA VAL 703 HA VAL 703 180.554 5.072 -1.264 852 HB VAL 703 HB VAL 703 180.034 4.674 -3.709 853 1HG1 VAL 703 1HG1 VAL 703 180.228 2.889 -2.025 854 2HG1 VAL 703 2HG1 VAL 703 179.078 2.494 -3.301 855 3HG1 VAL 703 3HG1 VAL 703 178.494 3.012 -1.719 856 1HG2 VAL 703 1HG2 VAL 703 177.169 4.743 -2.781 857 2HG2 VAL 703 2HG2 VAL 703 177.770 4.480 -4.419 858 3HG2 VAL 703 3HG2 VAL 703 177.939 6.064 -3.662 859 H SER 704 H SER 704 181.553 5.959 -3.428 860 HA SER 704 HA SER 704 180.840 8.741 -3.914 861 1HB SER 704 1HB SER 704 183.251 9.434 -3.562 862 2HB SER 704 2HB SER 704 182.359 9.041 -2.092 863 HG SER 704 HG SER 704 184.532 7.802 -3.216 864 H ARG 705 H ARG 705 181.290 9.395 -5.953 865 HA ARG 705 HA ARG 705 182.723 7.479 -7.669 866 1HB ARG 705 1HB ARG 705 180.205 8.031 -8.027 867 2HB ARG 705 2HB ARG 705 180.803 9.535 -8.714 868 1HG ARG 705 1HG ARG 705 182.102 8.275 -10.353 869 2HG ARG 705 2HG ARG 705 181.510 6.764 -9.660 870 1HD ARG 705 1HD ARG 705 179.772 8.915 -10.863 871 2HD ARG 705 2HD ARG 705 180.283 7.449 -11.697 872 HE ARG 705 HE ARG 705 179.098 6.496 -9.465 873 1HH1 ARG 705 1HH1 ARG 705 178.078 8.766 -11.912 874 2HH1 ARG 705 2HH1 ARG 705 176.398 8.376 -11.752 875 1HH2 ARG 705 1HH2 ARG 705 176.889 5.982 -9.253 876 2HH2 ARG 705 2HH2 ARG 705 175.723 6.796 -10.241 877 H GLU 943 H GLU 943 190.837 -11.857 -5.789 878 HA GLU 943 HA GLU 943 190.419 -12.244 -3.391 879 1HB GLU 943 1HB GLU 943 192.183 -10.767 -4.562 880 2HB GLU 943 2HB GLU 943 191.186 -9.409 -4.058 881 1HG GLU 943 1HG GLU 943 191.967 -9.484 -1.984 882 2HG GLU 943 2HG GLU 943 191.706 -11.225 -1.868 883 H GLU 944 H GLU 944 188.293 -12.378 -2.653 884 HA GLU 944 HA GLU 944 186.675 -9.977 -2.493 885 1HB GLU 944 1HB GLU 944 184.950 -11.422 -1.587 886 2HB GLU 944 2HB GLU 944 185.643 -12.156 -3.025 887 1HG GLU 944 1HG GLU 944 186.795 -13.770 -1.789 888 2HG GLU 944 2HG GLU 944 186.596 -12.881 -0.280 889 H GLY 945 H GLY 945 185.558 -9.536 -0.338 890 1HA GLY 945 1HA GLY 945 187.546 -9.759 1.834 891 2HA GLY 945 2HA GLY 945 186.613 -8.300 1.544 892 H ILE 946 H ILE 946 184.123 -8.791 1.484 893 HA ILE 946 HA ILE 946 183.428 -10.779 3.517 894 HB ILE 946 HB ILE 946 181.988 -8.235 3.863 895 1HG1 ILE 946 1HG1 ILE 946 184.954 -8.449 4.338 896 2HG1 ILE 946 2HG1 ILE 946 184.040 -7.120 3.628 897 1HG2 ILE 946 1HG2 ILE 946 181.655 -9.058 5.929 898 2HG2 ILE 946 2HG2 ILE 946 183.341 -9.541 6.123 899 3HG2 ILE 946 3HG2 ILE 946 182.223 -10.574 5.229 900 1HD1 ILE 946 1HD1 ILE 946 184.756 -6.417 5.766 901 2HD1 ILE 946 2HD1 ILE 946 184.202 -7.916 6.512 902 3HD1 ILE 946 3HD1 ILE 946 183.032 -6.759 5.894 903 H TRP 947 H TRP 947 181.159 -11.233 3.652 904 HA TRP 947 HA TRP 947 179.862 -10.950 1.049 905 1HB TRP 947 1HB TRP 947 179.876 -12.984 3.117 906 2HB TRP 947 2HB TRP 947 178.233 -12.546 2.655 907 HD1 TRP 947 HD1 TRP 947 180.377 -15.172 1.867 908 HE1 TRP 947 HE1 TRP 947 180.205 -15.974 -0.573 909 HE3 TRP 947 HE3 TRP 947 178.032 -11.108 -0.171 910 HZ2 TRP 947 HZ2 TRP 947 179.209 -15.011 -3.035 911 HZ3 TRP 947 HZ3 TRP 947 177.503 -11.129 -2.574 912 HH2 TRP 947 HH2 TRP 947 178.082 -13.043 -3.974 913 H ALA 948 H ALA 948 178.363 -9.480 0.731 914 HA ALA 948 HA ALA 948 176.598 -8.693 2.915 915 1HB ALA 948 1HB ALA 948 178.452 -6.836 1.454 916 2HB ALA 948 2HB ALA 948 178.265 -7.062 3.194 917 3HB ALA 948 3HB ALA 948 176.994 -6.263 2.269 Start of MODEL 6 1 H HIS 597 H HIS 597 163.407 0.661 -1.591 2 HA HIS 597 HA HIS 597 162.466 2.709 -2.016 3 1HB HIS 597 1HB HIS 597 164.063 3.601 0.390 4 2HB HIS 597 2HB HIS 597 163.273 4.726 -0.710 5 HD1 HIS 597 HD1 HIS 597 161.032 2.015 -0.559 6 HD2 HIS 597 HD2 HIS 597 162.015 5.081 2.068 7 HE1 HIS 597 HE1 HIS 597 159.093 2.183 1.032 8 HE2 HIS 597 HE2 HIS 597 159.750 3.983 2.667 9 HA PRO 598 HA PRO 598 165.802 3.639 -4.744 10 1HB PRO 598 1HB PRO 598 165.280 6.216 -5.447 11 2HB PRO 598 2HB PRO 598 164.342 4.842 -6.043 12 1HG PRO 598 1HG PRO 598 163.716 6.739 -3.813 13 2HG PRO 598 2HG PRO 598 162.645 6.105 -5.076 14 1HD PRO 598 1HD PRO 598 162.659 5.109 -2.568 15 2HD PRO 598 2HD PRO 598 162.347 4.090 -3.988 16 H VAL 599 H VAL 599 167.585 5.232 -5.162 17 HA VAL 599 HA VAL 599 168.528 6.367 -2.613 18 HB VAL 599 HB VAL 599 169.971 4.898 -4.780 19 1HG1 VAL 599 1HG1 VAL 599 172.134 5.736 -3.803 20 2HG1 VAL 599 2HG1 VAL 599 171.201 7.004 -3.009 21 3HG1 VAL 599 3HG1 VAL 599 171.243 6.911 -4.770 22 1HG2 VAL 599 1HG2 VAL 599 169.828 4.843 -1.793 23 2HG2 VAL 599 2HG2 VAL 599 171.164 4.072 -2.648 24 3HG2 VAL 599 3HG2 VAL 599 169.506 3.550 -2.948 25 H THR 600 H THR 600 169.717 8.307 -2.659 26 HA THR 600 HA THR 600 169.248 9.949 -5.063 27 HB THR 600 HB THR 600 169.413 11.834 -3.175 28 HG1 THR 600 HG1 THR 600 169.621 10.579 -1.397 29 1HG2 THR 600 1HG2 THR 600 166.854 10.299 -3.497 30 2HG2 THR 600 2HG2 THR 600 167.491 11.398 -4.722 31 3HG2 THR 600 3HG2 THR 600 167.059 12.011 -3.126 32 H TRP 601 H TRP 601 170.824 11.526 -5.592 33 HA TRP 601 HA TRP 601 173.416 11.222 -4.242 34 1HB TRP 601 1HB TRP 601 173.033 11.325 -7.239 35 2HB TRP 601 2HB TRP 601 174.570 11.199 -6.390 36 HD1 TRP 601 HD1 TRP 601 171.358 9.129 -6.990 37 HE1 TRP 601 HE1 TRP 601 171.973 6.636 -6.818 38 HE3 TRP 601 HE3 TRP 601 176.247 9.595 -5.565 39 HZ2 TRP 601 HZ2 TRP 601 174.231 5.073 -6.167 40 HZ3 TRP 601 HZ3 TRP 601 177.564 7.551 -5.189 41 HH2 TRP 601 HH2 TRP 601 176.576 5.339 -5.483 42 H GLN 602 H GLN 602 174.576 13.071 -3.968 43 HA GLN 602 HA GLN 602 173.507 15.527 -5.196 44 1HB GLN 602 1HB GLN 602 174.174 16.696 -3.069 45 2HB GLN 602 2HB GLN 602 172.814 15.593 -2.918 46 1HG GLN 602 1HG GLN 602 173.860 14.388 -1.384 47 2HG GLN 602 2HG GLN 602 175.297 14.234 -2.393 48 1HE2 GLN 602 1HE2 GLN 602 176.756 14.509 -0.755 49 2HE2 GLN 602 2HE2 GLN 602 176.974 16.005 0.081 50 HA PRO 603 HA PRO 603 177.636 16.383 -6.486 51 1HB PRO 603 1HB PRO 603 177.659 19.086 -6.518 52 2HB PRO 603 2HB PRO 603 176.744 18.130 -7.690 53 1HG PRO 603 1HG PRO 603 175.787 19.506 -5.210 54 2HG PRO 603 2HG PRO 603 175.038 19.448 -6.818 55 1HD PRO 603 1HD PRO 603 174.236 17.869 -4.759 56 2HD PRO 603 2HD PRO 603 174.132 17.365 -6.457 57 H SER 604 H SER 604 179.498 16.280 -5.448 58 HA SER 604 HA SER 604 179.708 17.464 -2.771 59 1HB SER 604 1HB SER 604 181.244 15.808 -2.217 60 2HB SER 604 2HB SER 604 180.171 14.951 -3.322 61 HG SER 604 HG SER 604 182.685 15.021 -3.567 62 H LYS 605 H LYS 605 181.442 18.737 -2.163 63 HA LYS 605 HA LYS 605 182.613 20.309 -4.278 64 1HB LYS 605 1HB LYS 605 182.005 20.673 -1.511 65 2HB LYS 605 2HB LYS 605 183.710 21.022 -1.755 66 1HG LYS 605 1HG LYS 605 182.008 22.211 -3.794 67 2HG LYS 605 2HG LYS 605 181.628 22.762 -2.161 68 1HD LYS 605 1HD LYS 605 183.288 24.238 -2.523 69 2HD LYS 605 2HD LYS 605 184.341 22.876 -2.132 70 1HE LYS 605 1HE LYS 605 185.164 23.812 -4.147 71 2HE LYS 605 2HE LYS 605 184.340 22.317 -4.587 72 1HZ LYS 605 1HZ LYS 605 183.647 23.911 -6.138 73 2HZ LYS 605 2HZ LYS 605 183.395 25.096 -4.960 74 3HZ LYS 605 3HZ LYS 605 182.349 23.771 -5.061 75 H GLU 606 H GLU 606 183.499 17.484 -2.720 76 HA GLU 606 HA GLU 606 186.289 17.879 -2.409 77 1HB GLU 606 1HB GLU 606 184.433 15.568 -2.357 78 2HB GLU 606 2HB GLU 606 186.133 15.216 -2.641 79 1HG GLU 606 1HG GLU 606 185.256 16.931 -0.349 80 2HG GLU 606 2HG GLU 606 185.268 15.172 -0.236 81 H GLY 607 H GLY 607 184.973 18.392 -5.185 82 1HA GLY 607 1HA GLY 607 186.685 18.458 -7.015 83 2HA GLY 607 2HA GLY 607 186.876 16.738 -6.719 84 H ASP 608 H ASP 608 183.726 18.197 -6.575 85 HA ASP 608 HA ASP 608 181.870 18.006 -7.878 86 1HB ASP 608 1HB ASP 608 184.072 18.120 -9.836 87 2HB ASP 608 2HB ASP 608 182.595 17.370 -10.435 88 H ARG 609 H ARG 609 181.584 16.058 -6.556 89 HA ARG 609 HA ARG 609 181.498 13.664 -8.258 90 1HB ARG 609 1HB ARG 609 182.166 13.611 -5.313 91 2HB ARG 609 2HB ARG 609 182.156 12.248 -6.423 92 1HG ARG 609 1HG ARG 609 183.934 13.838 -7.661 93 2HG ARG 609 2HG ARG 609 184.199 14.320 -5.985 94 1HD ARG 609 1HD ARG 609 185.265 12.419 -5.523 95 2HD ARG 609 2HD ARG 609 183.980 11.448 -6.238 96 HE ARG 609 HE ARG 609 185.218 11.275 -8.159 97 1HH1 ARG 609 1HH1 ARG 609 186.570 13.795 -6.158 98 2HH1 ARG 609 2HH1 ARG 609 187.981 13.991 -7.141 99 1HH2 ARG 609 1HH2 ARG 609 187.075 11.532 -9.453 100 2HH2 ARG 609 2HH2 ARG 609 188.270 12.705 -9.010 101 H LEU 610 H LEU 610 179.952 11.995 -7.322 102 HA LEU 610 HA LEU 610 177.626 13.407 -6.194 103 1HB LEU 610 1HB LEU 610 177.916 11.507 -8.414 104 2HB LEU 610 2HB LEU 610 176.581 11.156 -7.333 105 HG LEU 610 HG LEU 610 176.001 12.561 -9.332 106 1HD1 LEU 610 1HD1 LEU 610 174.961 14.418 -7.693 107 2HD1 LEU 610 2HD1 LEU 610 175.410 13.186 -6.513 108 3HD1 LEU 610 3HD1 LEU 610 174.324 12.780 -7.841 109 1HD2 LEU 610 1HD2 LEU 610 177.728 14.552 -7.873 110 2HD2 LEU 610 2HD2 LEU 610 176.559 14.994 -9.118 111 3HD2 LEU 610 3HD2 LEU 610 177.925 13.955 -9.521 112 H ILE 611 H ILE 611 177.266 12.909 -4.152 113 HA ILE 611 HA ILE 611 177.990 10.231 -3.179 114 HB ILE 611 HB ILE 611 177.295 12.597 -1.449 115 1HG1 ILE 611 1HG1 ILE 611 179.172 13.287 -2.822 116 2HG1 ILE 611 2HG1 ILE 611 179.744 12.945 -1.193 117 1HG2 ILE 611 1HG2 ILE 611 179.196 10.538 -0.563 118 2HG2 ILE 611 2HG2 ILE 611 177.540 9.984 -0.805 119 3HG2 ILE 611 3HG2 ILE 611 177.872 11.314 0.306 120 1HD1 ILE 611 1HD1 ILE 611 180.730 11.934 -3.601 121 2HD1 ILE 611 2HD1 ILE 611 179.916 10.585 -2.809 122 3HD1 ILE 611 3HD1 ILE 611 181.191 11.465 -1.964 123 H GLY 612 H GLY 612 176.480 8.887 -2.308 124 1HA GLY 612 1HA GLY 612 173.745 9.929 -1.987 125 2HA GLY 612 2HA GLY 612 174.019 8.518 -2.993 126 H ARG 613 H ARG 613 172.291 8.467 -0.847 127 HA ARG 613 HA ARG 613 173.740 6.919 1.195 128 1HB ARG 613 1HB ARG 613 171.034 8.266 1.294 129 2HB ARG 613 2HB ARG 613 171.663 7.231 2.568 130 1HG ARG 613 1HG ARG 613 173.694 8.938 2.406 131 2HG ARG 613 2HG ARG 613 172.408 9.993 1.821 132 1HD ARG 613 1HD ARG 613 171.089 9.284 3.866 133 2HD ARG 613 2HD ARG 613 172.583 8.564 4.463 134 HE ARG 613 HE ARG 613 171.930 11.366 4.337 135 1HH1 ARG 613 1HH1 ARG 613 174.508 9.020 4.522 136 2HH1 ARG 613 2HH1 ARG 613 175.636 10.130 5.222 137 1HH2 ARG 613 1HH2 ARG 613 173.415 12.829 5.256 138 2HH2 ARG 613 2HH2 ARG 613 175.017 12.292 5.638 139 H VAL 614 H VAL 614 173.585 4.756 1.017 140 HA VAL 614 HA VAL 614 171.233 3.683 -0.392 141 HB VAL 614 HB VAL 614 173.955 2.405 -0.114 142 1HG1 VAL 614 1HG1 VAL 614 172.795 1.128 -2.163 143 2HG1 VAL 614 2HG1 VAL 614 171.362 1.506 -1.207 144 3HG1 VAL 614 3HG1 VAL 614 172.679 0.575 -0.493 145 1HG2 VAL 614 1HG2 VAL 614 172.989 3.222 -2.768 146 2HG2 VAL 614 2HG2 VAL 614 174.604 3.319 -2.066 147 3HG2 VAL 614 3HG2 VAL 614 173.398 4.545 -1.676 148 H ILE 615 H ILE 615 169.843 2.578 0.787 149 HA ILE 615 HA ILE 615 170.781 1.387 3.310 150 HB ILE 615 HB ILE 615 167.955 2.203 2.617 151 1HG1 ILE 615 1HG1 ILE 615 168.511 3.914 4.519 152 2HG1 ILE 615 2HG1 ILE 615 170.181 3.618 4.047 153 1HG2 ILE 615 1HG2 ILE 615 169.244 0.944 4.992 154 2HG2 ILE 615 2HG2 ILE 615 167.703 0.571 4.218 155 3HG2 ILE 615 3HG2 ILE 615 167.862 2.012 5.223 156 1HD1 ILE 615 1HD1 ILE 615 169.901 5.218 2.541 157 2HD1 ILE 615 2HD1 ILE 615 168.152 5.229 2.773 158 3HD1 ILE 615 3HD1 ILE 615 168.885 4.082 1.653 159 H LEU 616 H LEU 616 170.819 -0.760 3.391 160 HA LEU 616 HA LEU 616 169.103 -2.249 1.516 161 1HB LEU 616 1HB LEU 616 171.976 -2.452 2.122 162 2HB LEU 616 2HB LEU 616 171.127 -3.985 2.045 163 HG LEU 616 HG LEU 616 171.047 -1.927 -0.158 164 1HD1 LEU 616 1HD1 LEU 616 172.541 -4.404 -0.606 165 2HD1 LEU 616 2HD1 LEU 616 173.282 -3.305 0.556 166 3HD1 LEU 616 3HD1 LEU 616 172.917 -2.747 -1.077 167 1HD2 LEU 616 1HD2 LEU 616 169.319 -3.941 0.292 168 2HD2 LEU 616 2HD2 LEU 616 170.551 -4.789 -0.645 169 3HD2 LEU 616 3HD2 LEU 616 169.760 -3.365 -1.315 170 H ASN 617 H ASN 617 168.276 -4.248 2.189 171 HA ASN 617 HA ASN 617 168.304 -4.684 5.104 172 1HB ASN 617 1HB ASN 617 166.008 -4.746 3.156 173 2HB ASN 617 2HB ASN 617 165.929 -5.606 4.691 174 1HD2 ASN 617 1HD2 ASN 617 165.782 -4.456 6.594 175 2HD2 ASN 617 2HD2 ASN 617 165.426 -2.767 6.637 176 H LYS 618 H LYS 618 168.963 -6.658 5.708 177 HA LYS 618 HA LYS 618 169.456 -8.654 3.667 178 1HB LYS 618 1HB LYS 618 169.978 -9.044 6.599 179 2HB LYS 618 2HB LYS 618 170.826 -9.743 5.226 180 1HG LYS 618 1HG LYS 618 171.934 -7.706 4.757 181 2HG LYS 618 2HG LYS 618 170.900 -6.807 5.866 182 1HD LYS 618 1HD LYS 618 172.541 -7.088 7.361 183 2HD LYS 618 2HD LYS 618 171.969 -8.752 7.483 184 1HE LYS 618 1HE LYS 618 174.003 -9.389 6.843 185 2HE LYS 618 2HE LYS 618 173.612 -8.755 5.247 186 1HZ LYS 618 1HZ LYS 618 174.633 -6.920 7.301 187 2HZ LYS 618 2HZ LYS 618 174.789 -6.840 5.619 188 3HZ LYS 618 3HZ LYS 618 175.721 -7.941 6.501 189 H ARG 619 H ARG 619 166.854 -8.469 3.658 190 HA ARG 619 HA ARG 619 165.557 -10.165 5.578 191 1HB ARG 619 1HB ARG 619 164.638 -8.904 2.996 192 2HB ARG 619 2HB ARG 619 163.602 -9.932 3.976 193 1HG ARG 619 1HG ARG 619 164.729 -7.990 5.694 194 2HG ARG 619 2HG ARG 619 164.146 -7.154 4.254 195 1HD ARG 619 1HD ARG 619 162.080 -8.831 4.727 196 2HD ARG 619 2HD ARG 619 162.654 -8.556 6.370 197 HE ARG 619 HE ARG 619 162.338 -6.144 4.842 198 1HH1 ARG 619 1HH1 ARG 619 160.716 -8.471 6.875 199 2HH1 ARG 619 2HH1 ARG 619 159.479 -7.364 7.369 200 1HH2 ARG 619 1HH2 ARG 619 160.713 -4.687 5.491 201 2HH2 ARG 619 2HH2 ARG 619 159.477 -5.216 6.584 202 H THR 620 H THR 620 167.201 -10.633 2.591 203 HA THR 620 HA THR 620 167.598 -12.458 1.295 204 HB THR 620 HB THR 620 167.912 -14.516 2.381 205 HG1 THR 620 HG1 THR 620 166.105 -13.741 4.417 206 1HG2 THR 620 1HG2 THR 620 168.149 -12.330 4.422 207 2HG2 THR 620 2HG2 THR 620 169.417 -13.050 3.431 208 3HG2 THR 620 3HG2 THR 620 168.672 -13.987 4.726 209 H THR 621 H THR 621 164.970 -11.256 1.201 210 HA THR 621 HA THR 621 163.371 -13.597 0.394 211 HB THR 621 HB THR 621 162.324 -12.442 2.257 212 HG1 THR 621 HG1 THR 621 161.040 -13.179 0.400 213 1HG2 THR 621 1HG2 THR 621 161.593 -9.992 0.924 214 2HG2 THR 621 2HG2 THR 621 163.337 -10.111 1.159 215 3HG2 THR 621 3HG2 THR 621 162.251 -10.249 2.541 216 H MET 622 H MET 622 165.160 -12.752 -1.415 217 HA MET 622 HA MET 622 164.389 -10.669 -3.121 218 1HB MET 622 1HB MET 622 166.313 -12.823 -3.138 219 2HB MET 622 2HB MET 622 165.591 -12.636 -4.731 220 1HG MET 622 1HG MET 622 167.613 -11.321 -4.534 221 2HG MET 622 2HG MET 622 166.206 -10.281 -4.746 222 1HE MET 622 1HE MET 622 167.949 -12.265 -2.198 223 2HE MET 622 2HE MET 622 167.346 -11.526 -0.713 224 3HE MET 622 3HE MET 622 168.925 -11.065 -1.350 225 HA PRO 623 HA PRO 623 160.807 -12.236 -5.174 226 1HB PRO 623 1HB PRO 623 161.058 -10.990 -7.589 227 2HB PRO 623 2HB PRO 623 160.518 -10.169 -6.120 228 1HG PRO 623 1HG PRO 623 163.232 -10.209 -7.383 229 2HG PRO 623 2HG PRO 623 162.348 -8.846 -6.672 230 1HD PRO 623 1HD PRO 623 164.315 -10.129 -5.345 231 2HD PRO 623 2HD PRO 623 162.903 -9.448 -4.511 232 H LYS 624 H LYS 624 163.995 -12.798 -6.323 233 HA LYS 624 HA LYS 624 163.151 -14.556 -8.475 234 1HB LYS 624 1HB LYS 624 165.975 -14.272 -7.492 235 2HB LYS 624 2HB LYS 624 165.408 -14.682 -9.104 236 1HG LYS 624 1HG LYS 624 165.826 -12.558 -9.617 237 2HG LYS 624 2HG LYS 624 164.359 -12.176 -8.714 238 1HD LYS 624 1HD LYS 624 166.066 -10.760 -7.867 239 2HD LYS 624 2HD LYS 624 165.806 -12.016 -6.655 240 1HE LYS 624 1HE LYS 624 167.831 -12.693 -8.657 241 2HE LYS 624 2HE LYS 624 168.234 -11.279 -7.683 242 1HZ LYS 624 1HZ LYS 624 168.640 -13.855 -6.956 243 2HZ LYS 624 2HZ LYS 624 167.210 -13.476 -6.136 244 3HZ LYS 624 3HZ LYS 624 168.596 -12.537 -5.895 245 H GLU 625 H GLU 625 165.082 -14.866 -5.492 246 HA GLU 625 HA GLU 625 163.995 -17.551 -5.127 247 1HB GLU 625 1HB GLU 625 166.522 -18.098 -4.416 248 2HB GLU 625 2HB GLU 625 165.904 -18.382 -6.035 249 1HG GLU 625 1HG GLU 625 167.095 -16.672 -6.945 250 2HG GLU 625 2HG GLU 625 167.083 -15.723 -5.458 251 H SER 626 H SER 626 166.758 -15.997 -3.545 252 HA SER 626 HA SER 626 165.231 -15.143 -1.275 253 1HB SER 626 1HB SER 626 166.569 -17.777 -1.265 254 2HB SER 626 2HB SER 626 166.901 -16.762 0.139 255 HG SER 626 HG SER 626 164.975 -17.193 0.827 256 H GLY 627 H GLY 627 168.436 -15.996 -2.530 257 1HA GLY 627 1HA GLY 627 170.184 -14.418 -2.793 258 2HA GLY 627 2HA GLY 627 169.418 -13.405 -1.581 259 H ALA 628 H ALA 628 171.136 -13.135 -0.231 260 HA ALA 628 HA ALA 628 171.798 -15.386 1.452 261 1HB ALA 628 1HB ALA 628 173.463 -15.760 -0.188 262 2HB ALA 628 2HB ALA 628 174.269 -14.989 1.177 263 3HB ALA 628 3HB ALA 628 173.872 -14.047 -0.260 264 H LEU 629 H LEU 629 173.046 -12.145 0.682 265 HA LEU 629 HA LEU 629 172.720 -11.461 3.524 266 1HB LEU 629 1HB LEU 629 174.631 -9.920 1.860 267 2HB LEU 629 2HB LEU 629 174.682 -10.290 3.564 268 HG LEU 629 HG LEU 629 176.494 -11.414 2.551 269 1HD1 LEU 629 1HD1 LEU 629 174.710 -13.742 2.665 270 2HD1 LEU 629 2HD1 LEU 629 174.755 -12.705 4.090 271 3HD1 LEU 629 3HD1 LEU 629 176.242 -13.430 3.477 272 1HD2 LEU 629 1HD2 LEU 629 176.474 -11.932 0.405 273 2HD2 LEU 629 2HD2 LEU 629 174.732 -11.688 0.328 274 3HD2 LEU 629 3HD2 LEU 629 175.381 -13.267 0.764 275 H LEU 630 H LEU 630 173.521 -9.125 0.991 276 HA LEU 630 HA LEU 630 170.802 -8.044 1.258 277 1HB LEU 630 1HB LEU 630 172.233 -5.796 0.740 278 2HB LEU 630 2HB LEU 630 171.712 -6.308 2.331 279 HG LEU 630 HG LEU 630 174.360 -7.195 1.291 280 1HD1 LEU 630 1HD1 LEU 630 174.471 -4.849 0.916 281 2HD1 LEU 630 2HD1 LEU 630 175.352 -5.197 2.404 282 3HD1 LEU 630 3HD1 LEU 630 173.728 -4.513 2.481 283 1HD2 LEU 630 1HD2 LEU 630 173.403 -6.545 4.060 284 2HD2 LEU 630 2HD2 LEU 630 174.936 -7.295 3.613 285 3HD2 LEU 630 3HD2 LEU 630 173.421 -8.161 3.353 286 H GLY 631 H GLY 631 173.706 -8.230 -0.820 287 1HA GLY 631 1HA GLY 631 172.599 -8.938 -3.136 288 2HA GLY 631 2HA GLY 631 172.123 -7.254 -3.073 289 H LEU 632 H LEU 632 175.211 -7.758 -1.680 290 HA LEU 632 HA LEU 632 176.682 -7.670 -4.137 291 1HB LEU 632 1HB LEU 632 177.163 -5.488 -4.363 292 2HB LEU 632 2HB LEU 632 175.648 -5.284 -3.513 293 HG LEU 632 HG LEU 632 178.429 -5.058 -2.368 294 1HD1 LEU 632 1HD1 LEU 632 176.219 -3.024 -2.408 295 2HD1 LEU 632 2HD1 LEU 632 177.410 -3.163 -3.701 296 3HD1 LEU 632 3HD1 LEU 632 177.931 -2.777 -2.061 297 1HD2 LEU 632 1HD2 LEU 632 177.614 -5.606 -0.380 298 2HD2 LEU 632 2HD2 LEU 632 175.993 -5.802 -1.048 299 3HD2 LEU 632 3HD2 LEU 632 176.529 -4.220 -0.483 300 H LYS 633 H LYS 633 178.939 -7.823 -3.887 301 HA LYS 633 HA LYS 633 179.757 -8.707 -1.210 302 1HB LYS 633 1HB LYS 633 180.023 -10.229 -3.222 303 2HB LYS 633 2HB LYS 633 181.229 -9.099 -3.819 304 1HG LYS 633 1HG LYS 633 182.745 -10.251 -2.687 305 2HG LYS 633 2HG LYS 633 182.007 -9.645 -1.205 306 1HD LYS 633 1HD LYS 633 180.809 -11.586 -0.852 307 2HD LYS 633 2HD LYS 633 180.834 -12.035 -2.557 308 1HE LYS 633 1HE LYS 633 182.339 -13.537 -1.691 309 2HE LYS 633 2HE LYS 633 183.414 -12.219 -2.156 310 1HZ LYS 633 1HZ LYS 633 183.833 -11.679 -0.010 311 2HZ LYS 633 2HZ LYS 633 183.494 -13.319 0.227 312 3HZ LYS 633 3HZ LYS 633 182.307 -12.156 0.546 313 H VAL 634 H VAL 634 181.193 -7.526 -0.049 314 HA VAL 634 HA VAL 634 182.632 -5.386 -1.475 315 HB VAL 634 HB VAL 634 181.039 -5.248 1.042 316 1HG1 VAL 634 1HG1 VAL 634 182.235 -3.134 1.637 317 2HG1 VAL 634 2HG1 VAL 634 183.477 -3.569 0.462 318 3HG1 VAL 634 3HG1 VAL 634 183.194 -4.597 1.866 319 1HG2 VAL 634 1HG2 VAL 634 179.824 -3.882 -0.210 320 2HG2 VAL 634 2HG2 VAL 634 180.931 -4.150 -1.560 321 3HG2 VAL 634 3HG2 VAL 634 181.219 -2.822 -0.435 322 H VAL 635 H VAL 635 184.601 -4.697 -0.606 323 HA VAL 635 HA VAL 635 185.950 -6.735 1.026 324 HB VAL 635 HB VAL 635 186.697 -5.318 -1.429 325 1HG1 VAL 635 1HG1 VAL 635 188.170 -4.102 0.037 326 2HG1 VAL 635 2HG1 VAL 635 189.103 -5.253 -0.921 327 3HG1 VAL 635 3HG1 VAL 635 188.737 -5.604 0.768 328 1HG2 VAL 635 1HG2 VAL 635 187.995 -7.731 -0.234 329 2HG2 VAL 635 2HG2 VAL 635 187.759 -7.318 -1.933 330 3HG2 VAL 635 3HG2 VAL 635 186.383 -7.808 -0.943 331 H GLY 636 H GLY 636 187.680 -5.948 2.439 332 1HA GLY 636 1HA GLY 636 187.261 -3.155 3.303 333 2HA GLY 636 2HA GLY 636 187.319 -4.472 4.467 334 H GLY 637 H GLY 637 189.037 -2.026 3.973 335 1HA GLY 637 1HA GLY 637 191.258 -1.657 4.568 336 2HA GLY 637 2HA GLY 637 191.557 -3.382 4.426 337 H LYS 638 H LYS 638 190.393 -0.903 2.144 338 HA LYS 638 HA LYS 638 192.424 -1.849 0.238 339 1HB LYS 638 1HB LYS 638 189.738 -0.548 -0.115 340 2HB LYS 638 2HB LYS 638 190.929 -0.521 -1.409 341 1HG LYS 638 1HG LYS 638 190.167 -3.106 -0.120 342 2HG LYS 638 2HG LYS 638 189.141 -2.386 -1.362 343 1HD LYS 638 1HD LYS 638 191.618 -2.200 -2.497 344 2HD LYS 638 2HD LYS 638 191.744 -3.713 -1.599 345 1HE LYS 638 1HE LYS 638 190.848 -4.556 -3.499 346 2HE LYS 638 2HE LYS 638 189.342 -4.077 -2.716 347 1HZ LYS 638 1HZ LYS 638 190.657 -2.039 -4.320 348 2HZ LYS 638 2HZ LYS 638 189.013 -2.409 -4.173 349 3HZ LYS 638 3HZ LYS 638 190.003 -3.343 -5.177 350 H MET 639 H MET 639 194.159 -0.622 0.996 351 HA MET 639 HA MET 639 194.112 2.107 1.589 352 1HB MET 639 1HB MET 639 195.984 0.695 2.220 353 2HB MET 639 2HB MET 639 196.372 0.401 0.530 354 1HG MET 639 1HG MET 639 197.868 2.030 1.618 355 2HG MET 639 2HG MET 639 197.022 2.682 0.216 356 1HE MET 639 1HE MET 639 197.623 2.536 3.833 357 2HE MET 639 2HE MET 639 195.915 2.506 4.273 358 3HE MET 639 3HE MET 639 196.866 3.969 4.531 359 H THR 640 H THR 640 193.588 3.745 0.317 360 HA THR 640 HA THR 640 193.812 3.485 -2.573 361 HB THR 640 HB THR 640 192.531 5.573 -2.654 362 HG1 THR 640 HG1 THR 640 191.820 6.468 -0.646 363 1HG2 THR 640 1HG2 THR 640 190.497 4.764 -1.998 364 2HG2 THR 640 2HG2 THR 640 191.137 4.031 -0.528 365 3HG2 THR 640 3HG2 THR 640 191.438 3.275 -2.093 366 H ASP 641 H ASP 641 194.290 5.922 -3.517 367 HA ASP 641 HA ASP 641 197.101 6.241 -3.090 368 1HB ASP 641 1HB ASP 641 195.060 7.471 -4.891 369 2HB ASP 641 2HB ASP 641 196.598 8.301 -4.672 370 H LEU 642 H LEU 642 194.400 7.489 -1.506 371 HA LEU 642 HA LEU 642 195.488 10.078 -0.883 372 1HB LEU 642 1HB LEU 642 193.161 8.542 0.269 373 2HB LEU 642 2HB LEU 642 193.588 10.177 0.739 374 HG LEU 642 HG LEU 642 191.791 10.335 -0.810 375 1HD1 LEU 642 1HD1 LEU 642 193.633 11.961 -1.082 376 2HD1 LEU 642 2HD1 LEU 642 192.746 11.665 -2.578 377 3HD1 LEU 642 3HD1 LEU 642 194.326 10.924 -2.328 378 1HD2 LEU 642 1HD2 LEU 642 191.533 9.125 -2.731 379 2HD2 LEU 642 2HD2 LEU 642 192.467 7.974 -1.774 380 3HD2 LEU 642 3HD2 LEU 642 193.269 8.963 -2.994 381 H GLY 643 H GLY 643 195.383 6.910 0.621 382 1HA GLY 643 1HA GLY 643 197.289 6.348 2.058 383 2HA GLY 643 2HA GLY 643 197.146 7.956 2.749 384 H ARG 644 H ARG 644 194.203 6.307 2.096 385 HA ARG 644 HA ARG 644 194.008 5.428 4.893 386 1HB ARG 644 1HB ARG 644 192.227 7.305 3.404 387 2HB ARG 644 2HB ARG 644 191.498 6.208 4.569 388 1HG ARG 644 1HG ARG 644 193.769 8.069 5.223 389 2HG ARG 644 2HG ARG 644 192.066 8.467 5.460 390 1HD ARG 644 1HD ARG 644 191.807 6.637 7.006 391 2HD ARG 644 2HD ARG 644 193.449 6.083 6.685 392 HE ARG 644 HE ARG 644 194.240 7.689 8.116 393 1HH1 ARG 644 1HH1 ARG 644 190.906 8.386 7.354 394 2HH1 ARG 644 2HH1 ARG 644 190.769 9.643 8.538 395 1HH2 ARG 644 1HH2 ARG 644 194.059 9.340 9.673 396 2HH2 ARG 644 2HH2 ARG 644 192.559 10.184 9.854 397 H LEU 645 H LEU 645 192.361 3.810 5.280 398 HA LEU 645 HA LEU 645 192.097 2.018 2.996 399 1HB LEU 645 1HB LEU 645 191.521 1.607 5.931 400 2HB LEU 645 2HB LEU 645 191.353 0.370 4.698 401 HG LEU 645 HG LEU 645 193.929 1.718 5.512 402 1HD1 LEU 645 1HD1 LEU 645 194.470 -0.164 6.704 403 2HD1 LEU 645 2HD1 LEU 645 193.370 -1.194 5.788 404 3HD1 LEU 645 3HD1 LEU 645 192.731 -0.077 6.994 405 1HD2 LEU 645 1HD2 LEU 645 193.191 -0.022 3.236 406 2HD2 LEU 645 2HD2 LEU 645 194.708 -0.382 4.061 407 3HD2 LEU 645 3HD2 LEU 645 194.441 1.215 3.362 408 H GLY 646 H GLY 646 190.104 1.043 2.406 409 1HA GLY 646 1HA GLY 646 187.651 2.171 3.500 410 2HA GLY 646 2HA GLY 646 187.993 2.555 1.820 411 H ALA 647 H ALA 647 185.912 1.449 1.488 412 HA ALA 647 HA ALA 647 186.292 -1.471 1.321 413 1HB ALA 647 1HB ALA 647 184.598 -1.444 2.834 414 2HB ALA 647 2HB ALA 647 183.634 -1.342 1.360 415 3HB ALA 647 3HB ALA 647 183.984 0.117 2.288 416 H PHE 648 H PHE 648 185.591 -2.515 -0.526 417 HA PHE 648 HA PHE 648 184.506 -0.866 -2.695 418 1HB PHE 648 1HB PHE 648 187.024 -2.514 -2.776 419 2HB PHE 648 2HB PHE 648 186.118 -2.153 -4.242 420 HD1 PHE 648 HD1 PHE 648 186.169 0.011 -5.227 421 HD2 PHE 648 HD2 PHE 648 188.077 -0.701 -1.490 422 HE1 PHE 648 HE1 PHE 648 187.316 2.181 -5.404 423 HE2 PHE 648 HE2 PHE 648 189.225 1.468 -1.660 424 HZ PHE 648 HZ PHE 648 188.845 2.912 -3.618 425 H ILE 649 H ILE 649 183.129 -1.935 -4.081 426 HA ILE 649 HA ILE 649 182.167 -4.497 -3.146 427 HB ILE 649 HB ILE 649 181.176 -2.682 -5.348 428 1HG1 ILE 649 1HG1 ILE 649 179.670 -3.341 -2.845 429 2HG1 ILE 649 2HG1 ILE 649 180.971 -2.156 -2.772 430 1HG2 ILE 649 1HG2 ILE 649 179.178 -4.116 -5.405 431 2HG2 ILE 649 2HG2 ILE 649 179.968 -5.237 -4.296 432 3HG2 ILE 649 3HG2 ILE 649 180.634 -4.975 -5.908 433 1HD1 ILE 649 1HD1 ILE 649 178.654 -1.245 -3.121 434 2HD1 ILE 649 2HD1 ILE 649 178.706 -1.962 -4.732 435 3HD1 ILE 649 3HD1 ILE 649 179.871 -0.717 -4.282 436 H THR 650 H THR 650 182.870 -6.372 -3.895 437 HA THR 650 HA THR 650 184.544 -6.498 -6.233 438 HB THR 650 HB THR 650 184.984 -8.756 -5.624 439 HG1 THR 650 HG1 THR 650 183.647 -9.966 -4.492 440 1HG2 THR 650 1HG2 THR 650 184.993 -6.747 -3.529 441 2HG2 THR 650 2HG2 THR 650 186.228 -7.918 -3.988 442 3HG2 THR 650 3HG2 THR 650 184.919 -8.397 -2.909 443 H LYS 651 H LYS 651 181.233 -7.345 -5.432 444 HA LYS 651 HA LYS 651 180.535 -7.527 -8.186 445 1HB LYS 651 1HB LYS 651 179.953 -9.840 -8.359 446 2HB LYS 651 2HB LYS 651 181.623 -9.748 -7.819 447 1HG LYS 651 1HG LYS 651 180.695 -10.032 -5.459 448 2HG LYS 651 2HG LYS 651 179.188 -10.508 -6.244 449 1HD LYS 651 1HD LYS 651 181.710 -11.812 -7.131 450 2HD LYS 651 2HD LYS 651 181.033 -12.284 -5.572 451 1HE LYS 651 1HE LYS 651 179.331 -13.397 -6.519 452 2HE LYS 651 2HE LYS 651 179.058 -12.140 -7.724 453 1HZ LYS 651 1HZ LYS 651 179.827 -13.720 -9.106 454 2HZ LYS 651 2HZ LYS 651 180.664 -14.553 -7.894 455 3HZ LYS 651 3HZ LYS 651 181.346 -13.174 -8.598 456 H VAL 652 H VAL 652 178.292 -7.717 -8.556 457 HA VAL 652 HA VAL 652 176.616 -7.422 -6.145 458 HB VAL 652 HB VAL 652 175.186 -6.103 -8.076 459 1HG1 VAL 652 1HG1 VAL 652 175.654 -5.469 -5.696 460 2HG1 VAL 652 2HG1 VAL 652 175.614 -4.126 -6.840 461 3HG1 VAL 652 3HG1 VAL 652 177.161 -4.747 -6.259 462 1HG2 VAL 652 1HG2 VAL 652 176.552 -4.663 -9.327 463 2HG2 VAL 652 2HG2 VAL 652 177.273 -6.262 -9.523 464 3HG2 VAL 652 3HG2 VAL 652 177.996 -5.100 -8.409 465 H LYS 653 H LYS 653 174.768 -8.593 -6.065 466 HA LYS 653 HA LYS 653 174.394 -10.641 -8.057 467 1HB LYS 653 1HB LYS 653 173.556 -10.161 -5.317 468 2HB LYS 653 2HB LYS 653 172.223 -10.741 -6.306 469 1HG LYS 653 1HG LYS 653 174.859 -12.140 -6.386 470 2HG LYS 653 2HG LYS 653 173.733 -12.434 -5.060 471 1HD LYS 653 1HD LYS 653 172.531 -12.522 -7.738 472 2HD LYS 653 2HD LYS 653 173.728 -13.779 -7.424 473 1HE LYS 653 1HE LYS 653 172.175 -13.684 -5.116 474 2HE LYS 653 2HE LYS 653 171.022 -13.514 -6.438 475 1HZ LYS 653 1HZ LYS 653 172.417 -15.498 -7.401 476 2HZ LYS 653 2HZ LYS 653 171.159 -15.767 -6.303 477 3HZ LYS 653 3HZ LYS 653 172.763 -15.769 -5.766 478 H LYS 654 H LYS 654 173.481 -10.048 -9.925 479 HA LYS 654 HA LYS 654 171.778 -7.881 -10.336 480 1HB LYS 654 1HB LYS 654 172.526 -10.303 -11.878 481 2HB LYS 654 2HB LYS 654 171.064 -9.466 -12.384 482 1HG LYS 654 1HG LYS 654 172.251 -7.467 -12.825 483 2HG LYS 654 2HG LYS 654 173.704 -8.075 -12.027 484 1HD LYS 654 1HD LYS 654 173.698 -9.915 -13.795 485 2HD LYS 654 2HD LYS 654 172.514 -8.929 -14.654 486 1HE LYS 654 1HE LYS 654 174.335 -7.048 -14.215 487 2HE LYS 654 2HE LYS 654 175.404 -8.450 -14.171 488 1HZ LYS 654 1HZ LYS 654 175.449 -8.093 -16.379 489 2HZ LYS 654 2HZ LYS 654 173.962 -7.289 -16.410 490 3HZ LYS 654 3HZ LYS 654 174.006 -8.979 -16.364 491 H GLY 655 H GLY 655 169.989 -7.676 -9.095 492 1HA GLY 655 1HA GLY 655 167.569 -8.249 -9.347 493 2HA GLY 655 2HA GLY 655 168.067 -9.921 -9.139 494 H SER 656 H SER 656 170.093 -8.935 -7.091 495 HA SER 656 HA SER 656 168.468 -9.376 -4.806 496 1HB SER 656 1HB SER 656 171.354 -8.609 -5.192 497 2HB SER 656 2HB SER 656 170.638 -8.693 -3.582 498 HG SER 656 HG SER 656 170.445 -10.836 -5.415 499 H LEU 657 H LEU 657 168.713 -7.842 -2.853 500 HA LEU 657 HA LEU 657 167.306 -5.499 -3.375 501 1HB LEU 657 1HB LEU 657 169.047 -6.079 -0.984 502 2HB LEU 657 2HB LEU 657 167.770 -4.881 -1.063 503 HG LEU 657 HG LEU 657 166.802 -7.537 -1.746 504 1HD1 LEU 657 1HD1 LEU 657 166.950 -7.947 0.935 505 2HD1 LEU 657 2HD1 LEU 657 168.533 -7.246 0.602 506 3HD1 LEU 657 3HD1 LEU 657 168.012 -8.696 -0.257 507 1HD2 LEU 657 1HD2 LEU 657 166.047 -5.196 -0.121 508 2HD2 LEU 657 2HD2 LEU 657 165.418 -6.753 0.424 509 3HD2 LEU 657 3HD2 LEU 657 165.075 -6.189 -1.211 510 H ALA 658 H ALA 658 170.731 -5.882 -2.552 511 HA ALA 658 HA ALA 658 171.568 -3.279 -2.563 512 1HB ALA 658 1HB ALA 658 173.292 -5.300 -3.914 513 2HB ALA 658 2HB ALA 658 172.863 -5.526 -2.219 514 3HB ALA 658 3HB ALA 658 173.717 -4.069 -2.724 515 H ASP 659 H ASP 659 170.661 -5.210 -5.316 516 HA ASP 659 HA ASP 659 171.751 -3.285 -7.198 517 1HB ASP 659 1HB ASP 659 171.394 -5.988 -7.340 518 2HB ASP 659 2HB ASP 659 170.003 -5.402 -8.247 519 H VAL 660 H VAL 660 168.560 -4.583 -6.365 520 HA VAL 660 HA VAL 660 167.168 -2.776 -8.075 521 HB VAL 660 HB VAL 660 165.148 -3.521 -6.612 522 1HG1 VAL 660 1HG1 VAL 660 166.198 -4.388 -8.934 523 2HG1 VAL 660 2HG1 VAL 660 164.731 -5.050 -8.213 524 3HG1 VAL 660 3HG1 VAL 660 166.274 -5.871 -7.983 525 1HG2 VAL 660 1HG2 VAL 660 166.556 -5.992 -5.984 526 2HG2 VAL 660 2HG2 VAL 660 165.438 -5.045 -5.003 527 3HG2 VAL 660 3HG2 VAL 660 167.145 -4.609 -5.063 528 H VAL 661 H VAL 661 167.686 -2.845 -4.544 529 HA VAL 661 HA VAL 661 166.418 -0.215 -4.361 530 HB VAL 661 HB VAL 661 165.699 -1.914 -2.739 531 1HG1 VAL 661 1HG1 VAL 661 167.430 -3.322 -2.251 532 2HG1 VAL 661 2HG1 VAL 661 167.470 -2.276 -0.832 533 3HG1 VAL 661 3HG1 VAL 661 168.612 -2.017 -2.149 534 1HG2 VAL 661 1HG2 VAL 661 165.401 0.296 -2.005 535 2HG2 VAL 661 2HG2 VAL 661 167.125 0.517 -1.704 536 3HG2 VAL 661 3HG2 VAL 661 166.174 -0.532 -0.654 537 H GLY 662 H GLY 662 169.534 -1.772 -4.052 538 1HA GLY 662 1HA GLY 662 170.796 0.543 -2.863 539 2HA GLY 662 2HA GLY 662 171.603 -0.918 -3.416 540 H HIS 663 H HIS 663 171.114 -1.124 -5.993 541 HA HIS 663 HA HIS 663 171.571 -0.357 -8.075 542 1HB HIS 663 1HB HIS 663 170.329 1.882 -6.777 543 2HB HIS 663 2HB HIS 663 171.598 2.462 -7.850 544 HD1 HIS 663 HD1 HIS 663 170.914 2.760 -10.207 545 HD2 HIS 663 HD2 HIS 663 168.487 0.033 -8.224 546 HE1 HIS 663 HE1 HIS 663 169.124 2.129 -11.858 547 HE2 HIS 663 HE2 HIS 663 167.621 0.540 -10.607 548 H LEU 664 H LEU 664 173.749 -1.214 -7.183 549 HA LEU 664 HA LEU 664 175.729 0.805 -7.871 550 1HB LEU 664 1HB LEU 664 177.208 -0.262 -5.991 551 2HB LEU 664 2HB LEU 664 176.120 1.064 -5.637 552 HG LEU 664 HG LEU 664 176.128 -0.744 -3.930 553 1HD1 LEU 664 1HD1 LEU 664 173.932 -0.441 -3.436 554 2HD1 LEU 664 2HD1 LEU 664 173.403 -0.746 -5.089 555 3HD1 LEU 664 3HD1 LEU 664 174.124 0.806 -4.669 556 1HD2 LEU 664 1HD2 LEU 664 174.495 -2.438 -5.742 557 2HD2 LEU 664 2HD2 LEU 664 175.478 -2.887 -4.347 558 3HD2 LEU 664 3HD2 LEU 664 176.252 -2.503 -5.887 559 H ARG 665 H ARG 665 177.967 -0.342 -8.036 560 HA ARG 665 HA ARG 665 177.654 -3.087 -8.992 561 1HB ARG 665 1HB ARG 665 178.756 -0.809 -10.638 562 2HB ARG 665 2HB ARG 665 178.942 -2.506 -11.061 563 1HG ARG 665 1HG ARG 665 176.779 -2.728 -11.709 564 2HG ARG 665 2HG ARG 665 176.193 -1.529 -10.554 565 1HD ARG 665 1HD ARG 665 177.258 0.236 -11.959 566 2HD ARG 665 2HD ARG 665 177.633 -1.008 -13.151 567 HE ARG 665 HE ARG 665 174.863 -0.985 -12.492 568 1HH1 ARG 665 1HH1 ARG 665 177.291 0.669 -14.377 569 2HH1 ARG 665 2HH1 ARG 665 176.160 1.250 -15.553 570 1HH2 ARG 665 1HH2 ARG 665 173.375 -0.222 -14.038 571 2HH2 ARG 665 2HH2 ARG 665 173.938 0.746 -15.362 572 H ALA 666 H ALA 666 179.738 -4.147 -9.441 573 HA ALA 666 HA ALA 666 181.502 -3.934 -7.306 574 1HB ALA 666 1HB ALA 666 181.156 -5.857 -8.990 575 2HB ALA 666 2HB ALA 666 182.769 -5.594 -8.326 576 3HB ALA 666 3HB ALA 666 182.382 -5.028 -9.949 577 H GLY 667 H GLY 667 183.047 -2.532 -6.823 578 1HA GLY 667 1HA GLY 667 185.153 -1.504 -7.700 579 2HA GLY 667 2HA GLY 667 184.160 -0.891 -9.016 580 H ASP 668 H ASP 668 181.929 -0.460 -7.018 581 HA ASP 668 HA ASP 668 182.437 2.268 -6.496 582 1HB ASP 668 1HB ASP 668 180.237 0.433 -6.221 583 2HB ASP 668 2HB ASP 668 180.382 1.400 -4.757 584 H GLU 669 H GLU 669 182.937 3.352 -4.608 585 HA GLU 669 HA GLU 669 184.190 1.691 -2.541 586 1HB GLU 669 1HB GLU 669 185.505 3.483 -3.792 587 2HB GLU 669 2HB GLU 669 184.547 4.661 -2.905 588 1HG GLU 669 1HG GLU 669 185.351 3.459 -0.799 589 2HG GLU 669 2HG GLU 669 186.545 2.695 -1.848 590 H VAL 670 H VAL 670 183.004 1.340 -0.789 591 HA VAL 670 HA VAL 670 180.943 3.263 -0.032 592 HB VAL 670 HB VAL 670 181.516 0.450 0.903 593 1HG1 VAL 670 1HG1 VAL 670 179.223 0.860 2.110 594 2HG1 VAL 670 2HG1 VAL 670 179.751 2.543 2.095 595 3HG1 VAL 670 3HG1 VAL 670 180.739 1.315 2.887 596 1HG2 VAL 670 1HG2 VAL 670 178.989 1.510 -0.321 597 2HG2 VAL 670 2HG2 VAL 670 179.540 -0.161 -0.194 598 3HG2 VAL 670 3HG2 VAL 670 180.337 0.948 -1.310 599 H LEU 671 H LEU 671 181.728 4.908 1.136 600 HA LEU 671 HA LEU 671 183.892 4.511 3.016 601 1HB LEU 671 1HB LEU 671 182.269 7.009 2.555 602 2HB LEU 671 2HB LEU 671 183.828 6.894 3.346 603 HG LEU 671 HG LEU 671 184.394 7.737 1.270 604 1HD1 LEU 671 1HD1 LEU 671 185.326 5.297 1.869 605 2HD1 LEU 671 2HD1 LEU 671 185.827 6.204 0.441 606 3HD1 LEU 671 3HD1 LEU 671 184.588 4.956 0.304 607 1HD2 LEU 671 1HD2 LEU 671 181.914 6.975 0.488 608 2HD2 LEU 671 2HD2 LEU 671 182.920 5.870 -0.447 609 3HD2 LEU 671 3HD2 LEU 671 183.153 7.611 -0.594 610 H GLU 672 H GLU 672 180.696 3.856 3.195 611 HA GLU 672 HA GLU 672 180.709 4.103 6.099 612 1HB GLU 672 1HB GLU 672 178.728 5.403 4.264 613 2HB GLU 672 2HB GLU 672 178.264 4.931 5.892 614 1HG GLU 672 1HG GLU 672 180.529 6.275 6.424 615 2HG GLU 672 2HG GLU 672 179.997 7.124 4.974 616 H TRP 673 H TRP 673 179.972 2.307 7.021 617 HA TRP 673 HA TRP 673 178.067 0.617 5.545 618 1HB TRP 673 1HB TRP 673 180.498 -0.220 5.509 619 2HB TRP 673 2HB TRP 673 180.288 -0.534 7.229 620 HD1 TRP 673 HD1 TRP 673 178.220 -2.314 7.838 621 HE1 TRP 673 HE1 TRP 673 177.490 -4.417 6.544 622 HE3 TRP 673 HE3 TRP 673 180.324 -1.246 3.309 623 HZ2 TRP 673 HZ2 TRP 673 177.773 -5.479 3.937 624 HZ3 TRP 673 HZ3 TRP 673 180.048 -2.852 1.473 625 HH2 TRP 673 HH2 TRP 673 178.799 -4.930 1.782 626 H ASN 674 H ASN 674 176.255 0.560 6.705 627 HA ASN 674 HA ASN 674 174.812 0.338 8.449 628 1HB ASN 674 1HB ASN 674 176.300 -1.601 9.035 629 2HB ASN 674 2HB ASN 674 177.204 -0.520 10.090 630 1HD2 ASN 674 1HD2 ASN 674 173.845 -1.465 9.442 631 2HD2 ASN 674 2HD2 ASN 674 173.370 -1.547 11.101 632 H GLY 675 H GLY 675 175.972 2.839 7.899 633 1HA GLY 675 1HA GLY 675 175.924 4.955 8.792 634 2HA GLY 675 2HA GLY 675 175.259 4.252 10.256 635 H LYS 676 H LYS 676 178.264 2.930 9.235 636 HA LYS 676 HA LYS 676 179.621 4.501 11.326 637 1HB LYS 676 1HB LYS 676 180.245 2.553 12.215 638 2HB LYS 676 2HB LYS 676 179.390 1.690 10.950 639 1HG LYS 676 1HG LYS 676 181.337 0.874 10.270 640 2HG LYS 676 2HG LYS 676 181.834 2.500 9.789 641 1HD LYS 676 1HD LYS 676 183.455 1.424 11.301 642 2HD LYS 676 2HD LYS 676 182.765 2.888 11.999 643 1HE LYS 676 1HE LYS 676 181.643 1.754 13.620 644 2HE LYS 676 2HE LYS 676 181.396 0.334 12.605 645 1HZ LYS 676 1HZ LYS 676 183.577 0.965 14.405 646 2HZ LYS 676 2HZ LYS 676 184.046 0.289 12.927 647 3HZ LYS 676 3HZ LYS 676 182.966 -0.539 13.929 648 HA PRO 677 HA PRO 677 182.396 5.819 8.142 649 1HB PRO 677 1HB PRO 677 184.392 6.823 9.621 650 2HB PRO 677 2HB PRO 677 182.800 7.592 9.596 651 1HG PRO 677 1HG PRO 677 184.009 5.804 11.664 652 2HG PRO 677 2HG PRO 677 183.011 7.254 11.879 653 1HD PRO 677 1HD PRO 677 182.074 4.654 12.034 654 2HD PRO 677 2HD PRO 677 181.067 6.075 11.699 655 H LEU 678 H LEU 678 183.460 4.394 6.967 656 HA LEU 678 HA LEU 678 185.091 2.330 8.174 657 1HB LEU 678 1HB LEU 678 184.489 2.803 5.260 658 2HB LEU 678 2HB LEU 678 185.188 1.357 5.963 659 HG LEU 678 HG LEU 678 182.426 2.341 6.657 660 1HD1 LEU 678 1HD1 LEU 678 181.628 1.554 4.748 661 2HD1 LEU 678 2HD1 LEU 678 182.405 -0.004 5.028 662 3HD1 LEU 678 3HD1 LEU 678 183.278 1.278 4.192 663 1HD2 LEU 678 1HD2 LEU 678 184.131 0.270 7.664 664 2HD2 LEU 678 2HD2 LEU 678 182.709 -0.451 6.908 665 3HD2 LEU 678 3HD2 LEU 678 182.513 0.742 8.192 666 HA PRO 679 HA PRO 679 188.139 4.974 5.109 667 1HB PRO 679 1HB PRO 679 187.378 7.378 6.735 668 2HB PRO 679 2HB PRO 679 188.026 7.297 5.091 669 1HG PRO 679 1HG PRO 679 185.427 7.678 5.489 670 2HG PRO 679 2HG PRO 679 185.998 6.626 4.181 671 1HD PRO 679 1HD PRO 679 184.718 5.914 6.759 672 2HD PRO 679 2HD PRO 679 184.698 5.047 5.211 673 H GLY 680 H GLY 680 189.903 4.095 5.975 674 1HA GLY 680 1HA GLY 680 191.838 4.464 7.363 675 2HA GLY 680 2HA GLY 680 190.766 5.051 8.625 676 H ALA 681 H ALA 681 189.027 2.587 7.699 677 HA ALA 681 HA ALA 681 190.176 0.802 9.692 678 1HB ALA 681 1HB ALA 681 187.558 1.477 8.918 679 2HB ALA 681 2HB ALA 681 188.059 0.335 10.163 680 3HB ALA 681 3HB ALA 681 187.776 -0.226 8.514 681 H THR 682 H THR 682 191.013 -1.174 9.293 682 HA THR 682 HA THR 682 191.622 -1.816 6.526 683 HB THR 682 HB THR 682 193.478 -1.957 8.011 684 HG1 THR 682 HG1 THR 682 192.789 -4.670 7.823 685 1HG2 THR 682 1HG2 THR 682 193.493 -3.600 9.905 686 2HG2 THR 682 2HG2 THR 682 191.737 -3.675 9.748 687 3HG2 THR 682 3HG2 THR 682 192.522 -2.148 10.155 688 H ASN 683 H ASN 683 191.721 -4.368 6.186 689 HA ASN 683 HA ASN 683 189.172 -5.263 5.725 690 1HB ASN 683 1HB ASN 683 190.131 -7.500 5.448 691 2HB ASN 683 2HB ASN 683 191.175 -6.277 4.728 692 1HD2 ASN 683 1HD2 ASN 683 193.185 -5.924 5.558 693 2HD2 ASN 683 2HD2 ASN 683 193.898 -6.918 6.778 694 H GLU 684 H GLU 684 191.197 -5.976 8.556 695 HA GLU 684 HA GLU 684 189.354 -7.691 9.815 696 1HB GLU 684 1HB GLU 684 191.917 -6.564 10.409 697 2HB GLU 684 2HB GLU 684 190.876 -6.361 11.810 698 1HG GLU 684 1HG GLU 684 190.560 -8.660 12.058 699 2HG GLU 684 2HG GLU 684 191.128 -9.004 10.424 700 H GLU 685 H GLU 685 189.789 -4.200 9.938 701 HA GLU 685 HA GLU 685 188.028 -3.697 12.079 702 1HB GLU 685 1HB GLU 685 189.606 -2.164 10.345 703 2HB GLU 685 2HB GLU 685 187.960 -1.615 10.064 704 1HG GLU 685 1HG GLU 685 189.049 -0.273 11.763 705 2HG GLU 685 2HG GLU 685 187.690 -1.169 12.442 706 H VAL 686 H VAL 686 187.480 -3.324 8.579 707 HA VAL 686 HA VAL 686 184.775 -2.870 8.576 708 HB VAL 686 HB VAL 686 186.361 -4.488 6.578 709 1HG1 VAL 686 1HG1 VAL 686 183.932 -4.873 6.400 710 2HG1 VAL 686 2HG1 VAL 686 184.591 -4.037 4.994 711 3HG1 VAL 686 3HG1 VAL 686 183.689 -3.137 6.212 712 1HG2 VAL 686 1HG2 VAL 686 187.173 -2.183 6.974 713 2HG2 VAL 686 2HG2 VAL 686 185.579 -1.575 6.524 714 3HG2 VAL 686 3HG2 VAL 686 186.566 -2.430 5.337 715 H TYR 687 H TYR 687 186.455 -5.983 8.666 716 HA TYR 687 HA TYR 687 184.377 -7.746 8.380 717 1HB TYR 687 1HB TYR 687 186.742 -7.920 10.253 718 2HB TYR 687 2HB TYR 687 185.658 -9.266 9.929 719 HD1 TYR 687 HD1 TYR 687 188.472 -9.644 9.491 720 HD2 TYR 687 HD2 TYR 687 185.586 -7.945 6.870 721 HE1 TYR 687 HE1 TYR 687 189.854 -10.283 7.561 722 HE2 TYR 687 HE2 TYR 687 186.958 -8.578 4.934 723 HH TYR 687 HH TYR 687 188.748 -10.384 4.459 724 H ASN 688 H ASN 688 185.359 -6.068 11.330 725 HA ASN 688 HA ASN 688 183.374 -7.258 12.982 726 1HB ASN 688 1HB ASN 688 184.942 -4.694 13.342 727 2HB ASN 688 2HB ASN 688 183.968 -5.466 14.591 728 1HD2 ASN 688 1HD2 ASN 688 187.001 -4.992 13.734 729 2HD2 ASN 688 2HD2 ASN 688 187.736 -6.458 14.276 730 H ILE 689 H ILE 689 183.563 -4.232 11.168 731 HA ILE 689 HA ILE 689 181.195 -3.061 12.108 732 HB ILE 689 HB ILE 689 182.735 -2.734 9.542 733 1HG1 ILE 689 1HG1 ILE 689 182.850 -0.354 10.678 734 2HG1 ILE 689 2HG1 ILE 689 182.463 -1.267 12.132 735 1HG2 ILE 689 1HG2 ILE 689 180.203 -1.310 10.346 736 2HG2 ILE 689 2HG2 ILE 689 180.479 -2.278 8.897 737 3HG2 ILE 689 3HG2 ILE 689 181.307 -0.734 9.097 738 1HD1 ILE 689 1HD1 ILE 689 184.714 -2.125 10.373 739 2HD1 ILE 689 2HD1 ILE 689 184.461 -2.417 12.093 740 3HD1 ILE 689 3HD1 ILE 689 184.928 -0.812 11.530 741 H ILE 690 H ILE 690 181.651 -4.573 8.906 742 HA ILE 690 HA ILE 690 178.995 -4.717 8.185 743 HB ILE 690 HB ILE 690 181.140 -6.716 7.458 744 1HG1 ILE 690 1HG1 ILE 690 180.418 -3.989 6.397 745 2HG1 ILE 690 2HG1 ILE 690 181.997 -4.597 6.872 746 1HG2 ILE 690 1HG2 ILE 690 178.618 -5.960 5.979 747 2HG2 ILE 690 2HG2 ILE 690 178.824 -7.426 6.936 748 3HG2 ILE 690 3HG2 ILE 690 179.805 -7.171 5.493 749 1HD1 ILE 690 1HD1 ILE 690 180.766 -4.567 4.297 750 2HD1 ILE 690 2HD1 ILE 690 181.137 -6.229 4.758 751 3HD1 ILE 690 3HD1 ILE 690 182.413 -5.012 4.744 752 H LEU 691 H LEU 691 180.905 -7.327 9.717 753 HA LEU 691 HA LEU 691 178.890 -9.211 9.941 754 1HB LEU 691 1HB LEU 691 181.308 -8.623 11.609 755 2HB LEU 691 2HB LEU 691 180.201 -9.900 12.072 756 HG LEU 691 HG LEU 691 180.798 -11.257 10.317 757 1HD1 LEU 691 1HD1 LEU 691 181.775 -10.517 8.219 758 2HD1 LEU 691 2HD1 LEU 691 181.825 -8.857 8.810 759 3HD1 LEU 691 3HD1 LEU 691 180.273 -9.651 8.543 760 1HD2 LEU 691 1HD2 LEU 691 182.975 -11.587 10.709 761 2HD2 LEU 691 2HD2 LEU 691 182.839 -10.201 11.790 762 3HD2 LEU 691 3HD2 LEU 691 183.417 -9.978 10.139 763 H GLU 692 H GLU 692 179.817 -6.736 12.292 764 HA GLU 692 HA GLU 692 177.936 -7.316 14.260 765 1HB GLU 692 1HB GLU 692 179.413 -4.840 13.467 766 2HB GLU 692 2HB GLU 692 178.126 -4.717 14.658 767 1HG GLU 692 1HG GLU 692 179.284 -6.472 15.991 768 2HG GLU 692 2HG GLU 692 180.620 -6.386 14.844 769 H SER 693 H SER 693 177.554 -5.780 11.181 770 HA SER 693 HA SER 693 174.887 -4.804 11.850 771 1HB SER 693 1HB SER 693 174.941 -3.606 9.794 772 2HB SER 693 2HB SER 693 176.551 -3.439 10.495 773 HG SER 693 HG SER 693 175.748 -5.193 8.416 774 H LYS 694 H LYS 694 176.315 -7.600 10.593 775 HA LYS 694 HA LYS 694 174.468 -8.370 8.626 776 1HB LYS 694 1HB LYS 694 176.332 -9.885 10.420 777 2HB LYS 694 2HB LYS 694 175.192 -10.752 9.404 778 1HG LYS 694 1HG LYS 694 176.137 -9.657 7.425 779 2HG LYS 694 2HG LYS 694 177.300 -8.821 8.456 780 1HD LYS 694 1HD LYS 694 178.274 -10.928 9.130 781 2HD LYS 694 2HD LYS 694 177.045 -11.820 8.229 782 1HE LYS 694 1HE LYS 694 178.475 -9.863 6.606 783 2HE LYS 694 2HE LYS 694 179.528 -11.099 7.292 784 1HZ LYS 694 1HZ LYS 694 177.270 -11.421 5.430 785 2HZ LYS 694 2HZ LYS 694 177.740 -12.711 6.418 786 3HZ LYS 694 3HZ LYS 694 178.840 -12.043 5.321 787 H SER 695 H SER 695 174.261 -8.322 12.080 788 HA SER 695 HA SER 695 171.992 -10.110 12.192 789 1HB SER 695 1HB SER 695 173.911 -9.265 14.031 790 2HB SER 695 2HB SER 695 172.415 -8.514 14.584 791 HG SER 695 HG SER 695 173.101 -11.209 14.405 792 H GLU 696 H GLU 696 172.506 -6.775 11.648 793 HA GLU 696 HA GLU 696 169.969 -5.893 12.675 794 1HB GLU 696 1HB GLU 696 172.156 -4.585 11.081 795 2HB GLU 696 2HB GLU 696 170.617 -3.777 11.352 796 1HG GLU 696 1HG GLU 696 172.204 -4.860 13.644 797 2HG GLU 696 2HG GLU 696 172.583 -3.290 12.936 798 HA PRO 697 HA PRO 697 167.616 -7.226 9.121 799 1HB PRO 697 1HB PRO 697 165.714 -5.144 10.031 800 2HB PRO 697 2HB PRO 697 165.448 -6.868 9.752 801 1HG PRO 697 1HG PRO 697 165.571 -5.877 12.228 802 2HG PRO 697 2HG PRO 697 166.256 -7.466 11.837 803 1HD PRO 697 1HD PRO 697 167.647 -4.850 12.251 804 2HD PRO 697 2HD PRO 697 168.135 -6.482 12.755 805 H GLN 698 H GLN 698 168.751 -4.031 9.732 806 HA GLN 698 HA GLN 698 168.417 -3.399 6.888 807 1HB GLN 698 1HB GLN 698 166.679 -2.272 8.427 808 2HB GLN 698 2HB GLN 698 168.021 -1.283 8.988 809 1HG GLN 698 1HG GLN 698 168.415 -0.689 6.559 810 2HG GLN 698 2HG GLN 698 166.850 -1.430 6.230 811 1HE2 GLN 698 1HE2 GLN 698 166.180 0.652 5.480 812 2HE2 GLN 698 2HE2 GLN 698 165.697 1.870 6.606 813 H VAL 699 H VAL 699 169.946 -1.910 6.041 814 HA VAL 699 HA VAL 699 172.222 -1.234 7.753 815 HB VAL 699 HB VAL 699 172.395 -2.837 5.202 816 1HG1 VAL 699 1HG1 VAL 699 174.846 -2.577 5.356 817 2HG1 VAL 699 2HG1 VAL 699 174.619 -1.391 6.641 818 3HG1 VAL 699 3HG1 VAL 699 174.023 -1.053 5.014 819 1HG2 VAL 699 1HG2 VAL 699 173.105 -4.564 6.469 820 2HG2 VAL 699 2HG2 VAL 699 172.224 -3.715 7.739 821 3HG2 VAL 699 3HG2 VAL 699 173.971 -3.521 7.597 822 H GLU 700 H GLU 700 173.323 0.596 7.145 823 HA GLU 700 HA GLU 700 172.240 2.053 4.822 824 1HB GLU 700 1HB GLU 700 171.643 3.016 7.067 825 2HB GLU 700 2HB GLU 700 173.358 3.280 7.349 826 1HG GLU 700 1HG GLU 700 173.483 4.813 5.506 827 2HG GLU 700 2HG GLU 700 171.815 4.461 5.053 828 H ILE 701 H ILE 701 173.718 1.945 3.245 829 HA ILE 701 HA ILE 701 176.540 2.340 3.987 830 HB ILE 701 HB ILE 701 176.900 1.210 1.639 831 1HG1 ILE 701 1HG1 ILE 701 174.217 0.120 2.524 832 2HG1 ILE 701 2HG1 ILE 701 174.567 0.978 1.028 833 1HG2 ILE 701 1HG2 ILE 701 177.007 -1.006 2.833 834 2HG2 ILE 701 2HG2 ILE 701 176.310 -0.189 4.232 835 3HG2 ILE 701 3HG2 ILE 701 177.873 0.327 3.598 836 1HD1 ILE 701 1HD1 ILE 701 175.919 -1.609 1.680 837 2HD1 ILE 701 2HD1 ILE 701 175.695 -0.837 0.108 838 3HD1 ILE 701 3HD1 ILE 701 174.318 -1.565 0.940 839 H ILE 702 H ILE 702 177.725 3.817 2.935 840 HA ILE 702 HA ILE 702 176.362 5.405 0.859 841 HB ILE 702 HB ILE 702 178.480 6.537 2.663 842 1HG1 ILE 702 1HG1 ILE 702 176.806 5.739 4.201 843 2HG1 ILE 702 2HG1 ILE 702 176.614 7.481 4.049 844 1HG2 ILE 702 1HG2 ILE 702 177.495 7.571 0.448 845 2HG2 ILE 702 2HG2 ILE 702 177.866 8.580 1.845 846 3HG2 ILE 702 3HG2 ILE 702 176.203 8.080 1.535 847 1HD1 ILE 702 1HD1 ILE 702 174.979 5.791 2.255 848 2HD1 ILE 702 2HD1 ILE 702 174.585 7.305 3.067 849 3HD1 ILE 702 3HD1 ILE 702 174.569 5.792 3.971 850 H VAL 703 H VAL 703 177.599 6.139 -0.885 851 HA VAL 703 HA VAL 703 180.329 5.055 -1.067 852 HB VAL 703 HB VAL 703 179.855 4.599 -3.505 853 1HG1 VAL 703 1HG1 VAL 703 178.312 2.967 -1.494 854 2HG1 VAL 703 2HG1 VAL 703 180.043 2.839 -1.812 855 3HG1 VAL 703 3HG1 VAL 703 178.882 2.419 -3.071 856 1HG2 VAL 703 1HG2 VAL 703 177.007 4.905 -2.558 857 2HG2 VAL 703 2HG2 VAL 703 177.488 4.194 -4.099 858 3HG2 VAL 703 3HG2 VAL 703 177.829 5.892 -3.766 859 H SER 704 H SER 704 181.318 5.923 -3.255 860 HA SER 704 HA SER 704 180.587 8.715 -3.709 861 1HB SER 704 1HB SER 704 183.219 7.775 -2.595 862 2HB SER 704 2HB SER 704 183.114 9.262 -3.537 863 HG SER 704 HG SER 704 182.872 9.583 -1.255 864 H ARG 705 H ARG 705 180.166 8.588 -5.831 865 HA ARG 705 HA ARG 705 181.796 6.963 -7.588 866 1HB ARG 705 1HB ARG 705 179.171 7.629 -7.638 867 2HB ARG 705 2HB ARG 705 179.817 8.822 -8.756 868 1HG ARG 705 1HG ARG 705 180.926 6.249 -9.348 869 2HG ARG 705 2HG ARG 705 179.166 6.143 -9.273 870 1HD ARG 705 1HD ARG 705 180.106 8.504 -10.700 871 2HD ARG 705 2HD ARG 705 180.655 6.996 -11.430 872 HE ARG 705 HE ARG 705 177.889 6.870 -10.827 873 1HH1 ARG 705 1HH1 ARG 705 180.148 8.259 -13.095 874 2HH1 ARG 705 2HH1 ARG 705 178.995 8.340 -14.385 875 1HH2 ARG 705 1HH2 ARG 705 176.372 6.977 -12.522 876 2HH2 ARG 705 2HH2 ARG 705 176.851 7.614 -14.059 877 H GLU 943 H GLU 943 188.668 -12.382 -5.206 878 HA GLU 943 HA GLU 943 190.377 -11.672 -3.541 879 1HB GLU 943 1HB GLU 943 191.474 -10.332 -5.532 880 2HB GLU 943 2HB GLU 943 190.332 -9.087 -5.045 881 1HG GLU 943 1HG GLU 943 192.450 -8.699 -3.986 882 2HG GLU 943 2HG GLU 943 191.260 -9.158 -2.769 883 H GLU 944 H GLU 944 188.548 -11.876 -2.297 884 HA GLU 944 HA GLU 944 186.679 -9.596 -2.361 885 1HB GLU 944 1HB GLU 944 184.927 -11.086 -1.568 886 2HB GLU 944 2HB GLU 944 185.609 -11.698 -3.069 887 1HG GLU 944 1HG GLU 944 186.881 -12.736 -0.644 888 2HG GLU 944 2HG GLU 944 185.183 -13.172 -0.831 889 H GLY 945 H GLY 945 185.412 -9.611 -0.114 890 1HA GLY 945 1HA GLY 945 187.391 -9.959 2.042 891 2HA GLY 945 2HA GLY 945 186.535 -8.437 1.854 892 H ILE 946 H ILE 946 183.980 -9.058 1.468 893 HA ILE 946 HA ILE 946 183.174 -11.049 3.438 894 HB ILE 946 HB ILE 946 181.777 -8.465 3.753 895 1HG1 ILE 946 1HG1 ILE 946 184.624 -8.901 4.660 896 2HG1 ILE 946 2HG1 ILE 946 183.975 -7.549 3.735 897 1HG2 ILE 946 1HG2 ILE 946 181.086 -9.441 5.633 898 2HG2 ILE 946 2HG2 ILE 946 182.736 -9.821 6.133 899 3HG2 ILE 946 3HG2 ILE 946 181.866 -10.913 5.052 900 1HD1 ILE 946 1HD1 ILE 946 182.552 -7.082 5.805 901 2HD1 ILE 946 2HD1 ILE 946 184.271 -6.695 5.869 902 3HD1 ILE 946 3HD1 ILE 946 183.663 -8.161 6.638 903 H TRP 947 H TRP 947 180.888 -11.490 3.414 904 HA TRP 947 HA TRP 947 179.792 -11.147 0.732 905 1HB TRP 947 1HB TRP 947 179.643 -13.214 2.764 906 2HB TRP 947 2HB TRP 947 178.049 -12.786 2.148 907 HD1 TRP 947 HD1 TRP 947 180.360 -15.343 1.527 908 HE1 TRP 947 HE1 TRP 947 180.412 -16.120 -0.926 909 HE3 TRP 947 HE3 TRP 947 178.014 -11.353 -0.642 910 HZ2 TRP 947 HZ2 TRP 947 179.571 -15.161 -3.450 911 HZ3 TRP 947 HZ3 TRP 947 177.677 -11.358 -3.077 912 HH2 TRP 947 HH2 TRP 947 178.440 -13.226 -4.451 913 H ALA 948 H ALA 948 178.245 -9.766 0.281 914 HA ALA 948 HA ALA 948 176.329 -8.996 2.343 915 1HB ALA 948 1HB ALA 948 176.651 -6.571 1.371 916 2HB ALA 948 2HB ALA 948 178.271 -7.169 1.012 917 3HB ALA 948 3HB ALA 948 177.679 -7.170 2.672 Start of MODEL 7 1 H HIS 597 H HIS 597 162.848 1.450 0.993 2 HA HIS 597 HA HIS 597 162.483 3.069 -0.552 3 1HB HIS 597 1HB HIS 597 164.441 3.932 1.572 4 2HB HIS 597 2HB HIS 597 163.656 5.096 0.509 5 HD1 HIS 597 HD1 HIS 597 161.385 5.874 1.189 6 HD2 HIS 597 HD2 HIS 597 162.542 2.432 3.208 7 HE1 HIS 597 HE1 HIS 597 159.607 5.483 2.923 8 HE2 HIS 597 HE2 HIS 597 160.380 3.450 4.197 9 HA PRO 598 HA PRO 598 165.291 3.797 -3.867 10 1HB PRO 598 1HB PRO 598 164.885 6.450 -4.410 11 2HB PRO 598 2HB PRO 598 163.772 5.166 -4.892 12 1HG PRO 598 1HG PRO 598 163.629 7.016 -2.544 13 2HG PRO 598 2HG PRO 598 162.333 6.485 -3.634 14 1HD PRO 598 1HD PRO 598 162.659 5.414 -1.188 15 2HD PRO 598 2HD PRO 598 162.103 4.444 -2.568 16 H VAL 599 H VAL 599 167.106 5.236 -4.602 17 HA VAL 599 HA VAL 599 168.610 6.206 -2.262 18 HB VAL 599 HB VAL 599 169.464 4.672 -4.677 19 1HG1 VAL 599 1HG1 VAL 599 171.229 6.606 -3.182 20 2HG1 VAL 599 2HG1 VAL 599 170.871 6.595 -4.908 21 3HG1 VAL 599 3HG1 VAL 599 171.837 5.300 -4.200 22 1HG2 VAL 599 1HG2 VAL 599 169.295 3.314 -2.821 23 2HG2 VAL 599 2HG2 VAL 599 169.865 4.572 -1.723 24 3HG2 VAL 599 3HG2 VAL 599 171.004 3.753 -2.793 25 H THR 600 H THR 600 169.886 8.061 -2.465 26 HA THR 600 HA THR 600 169.402 9.719 -4.841 27 HB THR 600 HB THR 600 169.351 11.657 -3.061 28 HG1 THR 600 HG1 THR 600 169.381 10.848 -1.125 29 1HG2 THR 600 1HG2 THR 600 166.992 9.865 -3.565 30 2HG2 THR 600 2HG2 THR 600 167.494 11.256 -4.529 31 3HG2 THR 600 3HG2 THR 600 166.905 11.489 -2.882 32 H TRP 601 H TRP 601 170.963 11.381 -5.203 33 HA TRP 601 HA TRP 601 173.480 11.043 -3.717 34 1HB TRP 601 1HB TRP 601 173.264 11.370 -6.716 35 2HB TRP 601 2HB TRP 601 174.747 11.173 -5.788 36 HD1 TRP 601 HD1 TRP 601 171.478 9.129 -6.312 37 HE1 TRP 601 HE1 TRP 601 172.126 6.642 -6.464 38 HE3 TRP 601 HE3 TRP 601 176.521 9.557 -5.589 39 HZ2 TRP 601 HZ2 TRP 601 174.464 5.071 -6.298 40 HZ3 TRP 601 HZ3 TRP 601 177.891 7.513 -5.599 41 HH2 TRP 601 HH2 TRP 601 176.883 5.317 -5.947 42 H GLN 602 H GLN 602 174.228 12.891 -2.922 43 HA GLN 602 HA GLN 602 173.354 15.411 -4.176 44 1HB GLN 602 1HB GLN 602 173.642 16.427 -1.915 45 2HB GLN 602 2HB GLN 602 172.375 15.210 -1.988 46 1HG GLN 602 1HG GLN 602 173.318 14.134 -0.310 47 2HG GLN 602 2HG GLN 602 174.767 13.886 -1.284 48 1HE2 GLN 602 1HE2 GLN 602 173.439 15.409 1.418 49 2HE2 GLN 602 2HE2 GLN 602 174.790 16.399 1.836 50 HA PRO 603 HA PRO 603 177.464 16.706 -5.040 51 1HB PRO 603 1HB PRO 603 177.492 19.196 -3.769 52 2HB PRO 603 2HB PRO 603 176.951 18.883 -5.420 53 1HG PRO 603 1HG PRO 603 175.350 19.171 -2.920 54 2HG PRO 603 2HG PRO 603 174.973 19.712 -4.566 55 1HD PRO 603 1HD PRO 603 173.806 17.545 -3.524 56 2HD PRO 603 2HD PRO 603 174.285 17.594 -5.235 57 H SER 604 H SER 604 179.326 16.145 -4.140 58 HA SER 604 HA SER 604 179.573 15.395 -1.451 59 1HB SER 604 1HB SER 604 181.018 14.843 -3.623 60 2HB SER 604 2HB SER 604 182.029 16.131 -2.970 61 HG SER 604 HG SER 604 181.953 13.612 -2.215 62 H LYS 605 H LYS 605 181.736 16.309 -0.284 63 HA LYS 605 HA LYS 605 181.001 18.984 0.503 64 1HB LYS 605 1HB LYS 605 182.348 16.776 1.694 65 2HB LYS 605 2HB LYS 605 183.432 18.159 1.747 66 1HG LYS 605 1HG LYS 605 182.352 18.669 3.631 67 2HG LYS 605 2HG LYS 605 181.090 19.279 2.558 68 1HD LYS 605 1HD LYS 605 181.108 16.393 3.335 69 2HD LYS 605 2HD LYS 605 180.491 17.599 4.466 70 1HE LYS 605 1HE LYS 605 179.078 18.423 2.477 71 2HE LYS 605 2HE LYS 605 179.465 16.866 1.747 72 1HZ LYS 605 1HZ LYS 605 178.380 15.725 3.476 73 2HZ LYS 605 2HZ LYS 605 177.332 16.980 3.045 74 3HZ LYS 605 3HZ LYS 605 178.271 17.107 4.446 75 H GLU 606 H GLU 606 183.031 17.717 -1.855 76 HA GLU 606 HA GLU 606 184.906 19.962 -1.724 77 1HB GLU 606 1HB GLU 606 185.038 17.231 -2.696 78 2HB GLU 606 2HB GLU 606 185.585 18.372 -3.916 79 1HG GLU 606 1HG GLU 606 187.110 19.351 -2.194 80 2HG GLU 606 2HG GLU 606 186.658 18.018 -1.131 81 H GLY 607 H GLY 607 182.032 19.056 -3.274 82 1HA GLY 607 1HA GLY 607 180.773 20.241 -4.804 83 2HA GLY 607 2HA GLY 607 182.074 21.416 -4.904 84 H ASP 608 H ASP 608 183.379 18.398 -5.416 85 HA ASP 608 HA ASP 608 182.989 18.598 -8.328 86 1HB ASP 608 1HB ASP 608 185.532 18.167 -6.773 87 2HB ASP 608 2HB ASP 608 185.390 17.699 -8.465 88 H ARG 609 H ARG 609 182.305 16.751 -5.747 89 HA ARG 609 HA ARG 609 182.460 14.270 -7.320 90 1HB ARG 609 1HB ARG 609 183.623 14.824 -4.751 91 2HB ARG 609 2HB ARG 609 182.401 13.570 -4.581 92 1HG ARG 609 1HG ARG 609 183.561 12.070 -5.846 93 2HG ARG 609 2HG ARG 609 184.360 13.323 -6.799 94 1HD ARG 609 1HD ARG 609 186.154 13.151 -5.504 95 2HD ARG 609 2HD ARG 609 185.191 13.636 -4.111 96 HE ARG 609 HE ARG 609 184.929 10.854 -4.776 97 1HH1 ARG 609 1HH1 ARG 609 186.824 13.207 -3.027 98 2HH1 ARG 609 2HH1 ARG 609 187.451 12.050 -1.902 99 1HH2 ARG 609 1HH2 ARG 609 185.753 9.331 -3.297 100 2HH2 ARG 609 2HH2 ARG 609 186.844 9.850 -2.054 101 H LEU 610 H LEU 610 180.819 12.658 -6.731 102 HA LEU 610 HA LEU 610 178.358 13.934 -5.729 103 1HB LEU 610 1HB LEU 610 178.863 12.791 -8.249 104 2HB LEU 610 2HB LEU 610 177.843 11.643 -7.402 105 HG LEU 610 HG LEU 610 176.594 13.279 -8.804 106 1HD1 LEU 610 1HD1 LEU 610 175.140 12.422 -7.298 107 2HD1 LEU 610 2HD1 LEU 610 175.169 14.076 -6.688 108 3HD1 LEU 610 3HD1 LEU 610 176.155 12.834 -5.916 109 1HD2 LEU 610 1HD2 LEU 610 178.242 15.160 -8.111 110 2HD2 LEU 610 2HD2 LEU 610 177.170 15.346 -6.721 111 3HD2 LEU 610 3HD2 LEU 610 176.538 15.548 -8.357 112 H ILE 611 H ILE 611 177.780 13.141 -3.827 113 HA ILE 611 HA ILE 611 178.475 10.358 -3.178 114 HB ILE 611 HB ILE 611 177.663 12.522 -1.240 115 1HG1 ILE 611 1HG1 ILE 611 179.730 13.198 -2.328 116 2HG1 ILE 611 2HG1 ILE 611 180.080 12.668 -0.686 117 1HG2 ILE 611 1HG2 ILE 611 178.468 9.686 -1.015 118 2HG2 ILE 611 2HG2 ILE 611 177.362 10.635 -0.023 119 3HG2 ILE 611 3HG2 ILE 611 179.105 10.793 0.200 120 1HD1 ILE 611 1HD1 ILE 611 181.135 11.714 -3.164 121 2HD1 ILE 611 2HD1 ILE 611 180.335 10.397 -2.306 122 3HD1 ILE 611 3HD1 ILE 611 181.616 11.315 -1.514 123 H GLY 612 H GLY 612 176.945 8.956 -2.318 124 1HA GLY 612 1HA GLY 612 174.153 9.887 -2.287 125 2HA GLY 612 2HA GLY 612 174.583 8.482 -3.252 126 H ARG 613 H ARG 613 172.663 8.360 -1.240 127 HA ARG 613 HA ARG 613 174.051 6.775 0.821 128 1HB ARG 613 1HB ARG 613 171.314 7.969 1.184 129 2HB ARG 613 2HB ARG 613 172.417 7.373 2.416 130 1HG ARG 613 1HG ARG 613 173.607 9.532 0.918 131 2HG ARG 613 2HG ARG 613 172.057 10.007 1.611 132 1HD ARG 613 1HD ARG 613 173.118 8.742 3.722 133 2HD ARG 613 2HD ARG 613 174.599 9.291 2.940 134 HE ARG 613 HE ARG 613 172.610 11.347 3.224 135 1HH1 ARG 613 1HH1 ARG 613 175.264 9.698 4.780 136 2HH1 ARG 613 2HH1 ARG 613 175.622 11.015 5.845 137 1HH2 ARG 613 1HH2 ARG 613 173.079 13.080 4.624 138 2HH2 ARG 613 2HH2 ARG 613 174.381 12.936 5.757 139 H VAL 614 H VAL 614 173.639 4.647 0.833 140 HA VAL 614 HA VAL 614 171.235 3.736 -0.596 141 HB VAL 614 HB VAL 614 173.838 2.242 -0.284 142 1HG1 VAL 614 1HG1 VAL 614 172.431 0.507 -0.627 143 2HG1 VAL 614 2HG1 VAL 614 172.552 1.025 -2.309 144 3HG1 VAL 614 3HG1 VAL 614 171.173 1.525 -1.328 145 1HG2 VAL 614 1HG2 VAL 614 174.555 3.047 -2.258 146 2HG2 VAL 614 2HG2 VAL 614 173.454 4.378 -1.903 147 3HG2 VAL 614 3HG2 VAL 614 172.937 3.062 -2.958 148 H ILE 615 H ILE 615 169.787 2.610 0.495 149 HA ILE 615 HA ILE 615 170.528 1.558 3.145 150 HB ILE 615 HB ILE 615 167.659 1.825 2.468 151 1HG1 ILE 615 1HG1 ILE 615 168.518 3.915 1.523 152 2HG1 ILE 615 2HG1 ILE 615 167.608 4.231 2.997 153 1HG2 ILE 615 1HG2 ILE 615 167.400 2.152 4.740 154 2HG2 ILE 615 2HG2 ILE 615 169.018 2.827 4.933 155 3HG2 ILE 615 3HG2 ILE 615 168.811 1.095 4.672 156 1HD1 ILE 615 1HD1 ILE 615 169.847 5.448 2.593 157 2HD1 ILE 615 2HD1 ILE 615 170.575 3.924 3.101 158 3HD1 ILE 615 3HD1 ILE 615 169.499 4.794 4.193 159 H LEU 616 H LEU 616 170.580 -0.597 3.349 160 HA LEU 616 HA LEU 616 168.970 -2.194 1.474 161 1HB LEU 616 1HB LEU 616 171.855 -2.323 2.096 162 2HB LEU 616 2HB LEU 616 171.026 -3.866 1.992 163 HG LEU 616 HG LEU 616 171.246 -1.773 -0.168 164 1HD1 LEU 616 1HD1 LEU 616 173.047 -3.655 0.477 165 2HD1 LEU 616 2HD1 LEU 616 172.764 -3.105 -1.175 166 3HD1 LEU 616 3HD1 LEU 616 172.008 -4.590 -0.600 167 1HD2 LEU 616 1HD2 LEU 616 169.330 -3.974 0.215 168 2HD2 LEU 616 2HD2 LEU 616 170.093 -3.889 -1.373 169 3HD2 LEU 616 3HD2 LEU 616 169.202 -2.503 -0.749 170 H ASN 617 H ASN 617 168.216 -4.204 2.203 171 HA ASN 617 HA ASN 617 168.280 -4.566 5.127 172 1HB ASN 617 1HB ASN 617 166.071 -3.823 3.664 173 2HB ASN 617 2HB ASN 617 165.882 -5.570 3.764 174 1HD2 ASN 617 1HD2 ASN 617 165.396 -6.511 5.695 175 2HD2 ASN 617 2HD2 ASN 617 165.017 -5.616 7.124 176 H LYS 618 H LYS 618 168.913 -6.533 5.794 177 HA LYS 618 HA LYS 618 169.403 -8.575 3.780 178 1HB LYS 618 1HB LYS 618 170.144 -8.819 6.678 179 2HB LYS 618 2HB LYS 618 170.925 -9.537 5.277 180 1HG LYS 618 1HG LYS 618 171.943 -7.507 4.672 181 2HG LYS 618 2HG LYS 618 170.910 -6.574 5.753 182 1HD LYS 618 1HD LYS 618 172.800 -6.659 7.029 183 2HD LYS 618 2HD LYS 618 172.021 -8.145 7.574 184 1HE LYS 618 1HE LYS 618 173.913 -9.187 7.022 185 2HE LYS 618 2HE LYS 618 173.442 -8.938 5.342 186 1HZ LYS 618 1HZ LYS 618 175.448 -7.544 6.936 187 2HZ LYS 618 2HZ LYS 618 174.585 -6.616 5.816 188 3HZ LYS 618 3HZ LYS 618 175.466 -7.963 5.297 189 H ARG 619 H ARG 619 167.491 -8.075 6.688 190 HA ARG 619 HA ARG 619 166.660 -10.688 7.151 191 1HB ARG 619 1HB ARG 619 166.021 -8.119 8.130 192 2HB ARG 619 2HB ARG 619 164.498 -8.873 7.677 193 1HG ARG 619 1HG ARG 619 164.570 -10.316 9.378 194 2HG ARG 619 2HG ARG 619 166.288 -10.645 9.146 195 1HD ARG 619 1HD ARG 619 166.709 -9.439 10.960 196 2HD ARG 619 2HD ARG 619 166.133 -8.015 10.097 197 HE ARG 619 HE ARG 619 164.764 -9.458 12.167 198 1HH1 ARG 619 1HH1 ARG 619 164.371 -7.347 9.416 199 2HH1 ARG 619 2HH1 ARG 619 162.846 -6.726 9.953 200 1HH2 ARG 619 1HH2 ARG 619 162.758 -8.642 12.875 201 2HH2 ARG 619 2HH2 ARG 619 161.930 -7.461 11.916 202 H THR 620 H THR 620 165.599 -8.384 4.752 203 HA THR 620 HA THR 620 163.278 -9.947 4.022 204 HB THR 620 HB THR 620 162.915 -8.263 2.304 205 HG1 THR 620 HG1 THR 620 165.470 -7.310 3.074 206 1HG2 THR 620 1HG2 THR 620 163.309 -7.531 5.085 207 2HG2 THR 620 2HG2 THR 620 162.001 -7.122 3.974 208 3HG2 THR 620 3HG2 THR 620 163.484 -6.167 3.980 209 H THR 621 H THR 621 166.208 -8.907 2.267 210 HA THR 621 HA THR 621 167.373 -9.837 0.556 211 HB THR 621 HB THR 621 166.937 -12.576 0.695 212 HG1 THR 621 HG1 THR 621 166.308 -13.064 2.624 213 1HG2 THR 621 1HG2 THR 621 168.910 -11.066 2.381 214 2HG2 THR 621 2HG2 THR 621 169.118 -11.392 0.660 215 3HG2 THR 621 3HG2 THR 621 169.032 -12.729 1.807 216 H MET 622 H MET 622 167.195 -10.860 -1.540 217 HA MET 622 HA MET 622 164.597 -10.482 -2.654 218 1HB MET 622 1HB MET 622 165.608 -10.652 -4.746 219 2HB MET 622 2HB MET 622 166.884 -10.008 -3.736 220 1HG MET 622 1HG MET 622 166.739 -12.952 -4.123 221 2HG MET 622 2HG MET 622 167.325 -11.947 -5.440 222 1HE MET 622 1HE MET 622 167.489 -12.789 -1.818 223 2HE MET 622 2HE MET 622 169.162 -12.539 -1.318 224 3HE MET 622 3HE MET 622 168.736 -13.932 -2.314 225 HA PRO 623 HA PRO 623 163.289 -14.694 -1.966 226 1HB PRO 623 1HB PRO 623 160.792 -14.459 -2.920 227 2HB PRO 623 2HB PRO 623 161.280 -13.717 -1.392 228 1HG PRO 623 1HG PRO 623 160.983 -12.467 -4.096 229 2HG PRO 623 2HG PRO 623 160.475 -11.846 -2.515 230 1HD PRO 623 1HD PRO 623 162.770 -11.065 -3.786 231 2HD PRO 623 2HD PRO 623 162.564 -11.040 -2.023 232 H LYS 624 H LYS 624 163.998 -13.309 -4.922 233 HA LYS 624 HA LYS 624 162.935 -15.468 -6.548 234 1HB LYS 624 1HB LYS 624 164.100 -14.207 -8.414 235 2HB LYS 624 2HB LYS 624 162.797 -13.354 -7.599 236 1HG LYS 624 1HG LYS 624 165.555 -12.945 -6.588 237 2HG LYS 624 2HG LYS 624 165.119 -12.208 -8.131 238 1HD LYS 624 1HD LYS 624 162.961 -11.575 -6.593 239 2HD LYS 624 2HD LYS 624 164.267 -11.534 -5.406 240 1HE LYS 624 1HE LYS 624 165.418 -9.859 -6.561 241 2HE LYS 624 2HE LYS 624 164.521 -10.145 -8.051 242 1HZ LYS 624 1HZ LYS 624 162.953 -9.324 -5.745 243 2HZ LYS 624 2HZ LYS 624 162.808 -8.874 -7.368 244 3HZ LYS 624 3HZ LYS 624 163.986 -8.151 -6.393 245 H GLU 625 H GLU 625 166.019 -14.365 -5.280 246 HA GLU 625 HA GLU 625 167.461 -16.441 -6.717 247 1HB GLU 625 1HB GLU 625 168.296 -14.184 -4.916 248 2HB GLU 625 2HB GLU 625 169.425 -15.455 -5.362 249 1HG GLU 625 1HG GLU 625 167.953 -14.167 -7.571 250 2HG GLU 625 2HG GLU 625 169.150 -13.181 -6.734 251 H SER 626 H SER 626 167.854 -15.463 -3.331 252 HA SER 626 HA SER 626 166.958 -17.975 -2.292 253 1HB SER 626 1HB SER 626 169.819 -17.597 -1.636 254 2HB SER 626 2HB SER 626 168.909 -19.083 -1.909 255 HG SER 626 HG SER 626 169.123 -18.804 -4.095 256 H GLY 627 H GLY 627 169.483 -15.639 -1.337 257 1HA GLY 627 1HA GLY 627 168.551 -13.818 0.197 258 2HA GLY 627 2HA GLY 627 167.955 -15.175 1.141 259 H ALA 628 H ALA 628 171.031 -14.170 -0.370 260 HA ALA 628 HA ALA 628 172.616 -15.488 1.583 261 1HB ALA 628 1HB ALA 628 173.533 -15.134 -0.594 262 2HB ALA 628 2HB ALA 628 174.495 -14.209 0.557 263 3HB ALA 628 3HB ALA 628 173.312 -13.391 -0.462 264 H LEU 629 H LEU 629 173.081 -12.049 0.939 265 HA LEU 629 HA LEU 629 172.732 -11.534 3.813 266 1HB LEU 629 1HB LEU 629 174.622 -9.837 2.285 267 2HB LEU 629 2HB LEU 629 174.652 -10.309 3.967 268 HG LEU 629 HG LEU 629 176.523 -11.328 3.013 269 1HD1 LEU 629 1HD1 LEU 629 174.550 -12.877 4.110 270 2HD1 LEU 629 2HD1 LEU 629 176.229 -13.350 3.839 271 3HD1 LEU 629 3HD1 LEU 629 174.996 -13.757 2.647 272 1HD2 LEU 629 1HD2 LEU 629 175.884 -12.973 0.956 273 2HD2 LEU 629 2HD2 LEU 629 176.549 -11.350 0.780 274 3HD2 LEU 629 3HD2 LEU 629 174.812 -11.606 0.657 275 H LEU 630 H LEU 630 173.388 -9.393 1.060 276 HA LEU 630 HA LEU 630 170.736 -8.196 1.412 277 1HB LEU 630 1HB LEU 630 172.133 -5.972 0.824 278 2HB LEU 630 2HB LEU 630 171.731 -6.467 2.456 279 HG LEU 630 HG LEU 630 174.252 -7.533 1.390 280 1HD1 LEU 630 1HD1 LEU 630 174.058 -4.634 2.174 281 2HD1 LEU 630 2HD1 LEU 630 174.233 -5.210 0.515 282 3HD1 LEU 630 3HD1 LEU 630 175.512 -5.512 1.692 283 1HD2 LEU 630 1HD2 LEU 630 173.602 -8.013 3.643 284 2HD2 LEU 630 2HD2 LEU 630 173.411 -6.295 3.994 285 3HD2 LEU 630 3HD2 LEU 630 175.013 -6.956 3.662 286 H GLY 631 H GLY 631 173.695 -8.141 -0.642 287 1HA GLY 631 1HA GLY 631 172.636 -9.094 -2.937 288 2HA GLY 631 2HA GLY 631 172.088 -7.432 -2.945 289 H LEU 632 H LEU 632 175.232 -7.928 -1.543 290 HA LEU 632 HA LEU 632 176.642 -7.728 -4.033 291 1HB LEU 632 1HB LEU 632 176.946 -5.541 -4.256 292 2HB LEU 632 2HB LEU 632 175.599 -5.368 -3.156 293 HG LEU 632 HG LEU 632 178.525 -5.258 -2.412 294 1HD1 LEU 632 1HD1 LEU 632 178.139 -2.916 -2.033 295 2HD1 LEU 632 2HD1 LEU 632 176.428 -3.096 -2.419 296 3HD1 LEU 632 3HD1 LEU 632 177.642 -3.316 -3.678 297 1HD2 LEU 632 1HD2 LEU 632 177.188 -4.243 -0.301 298 2HD2 LEU 632 2HD2 LEU 632 177.732 -5.915 -0.409 299 3HD2 LEU 632 3HD2 LEU 632 176.065 -5.502 -0.815 300 H LYS 633 H LYS 633 178.957 -7.728 -3.813 301 HA LYS 633 HA LYS 633 179.808 -8.674 -1.154 302 1HB LYS 633 1HB LYS 633 180.127 -9.814 -3.727 303 2HB LYS 633 2HB LYS 633 181.719 -9.269 -3.220 304 1HG LYS 633 1HG LYS 633 180.281 -10.669 -1.115 305 2HG LYS 633 2HG LYS 633 180.539 -11.655 -2.556 306 1HD LYS 633 1HD LYS 633 182.937 -11.116 -2.473 307 2HD LYS 633 2HD LYS 633 182.664 -10.172 -1.008 308 1HE LYS 633 1HE LYS 633 181.608 -12.379 -0.115 309 2HE LYS 633 2HE LYS 633 182.536 -13.131 -1.412 310 1HZ LYS 633 1HZ LYS 633 183.981 -11.256 0.275 311 2HZ LYS 633 2HZ LYS 633 184.478 -12.740 -0.367 312 3HZ LYS 633 3HZ LYS 633 183.508 -12.700 1.017 313 H VAL 634 H VAL 634 181.284 -7.507 -0.064 314 HA VAL 634 HA VAL 634 182.734 -5.433 -1.575 315 HB VAL 634 HB VAL 634 181.297 -5.224 1.043 316 1HG1 VAL 634 1HG1 VAL 634 183.603 -3.496 0.147 317 2HG1 VAL 634 2HG1 VAL 634 183.519 -4.482 1.605 318 3HG1 VAL 634 3HG1 VAL 634 182.476 -3.068 1.436 319 1HG2 VAL 634 1HG2 VAL 634 181.079 -2.866 -0.335 320 2HG2 VAL 634 2HG2 VAL 634 179.913 -4.192 -0.369 321 3HG2 VAL 634 3HG2 VAL 634 181.150 -4.068 -1.624 322 H VAL 635 H VAL 635 184.718 -4.739 -0.752 323 HA VAL 635 HA VAL 635 186.108 -6.781 0.839 324 HB VAL 635 HB VAL 635 186.787 -5.388 -1.645 325 1HG1 VAL 635 1HG1 VAL 635 188.891 -5.627 0.498 326 2HG1 VAL 635 2HG1 VAL 635 188.294 -4.139 -0.238 327 3HG1 VAL 635 3HG1 VAL 635 189.206 -5.298 -1.206 328 1HG2 VAL 635 1HG2 VAL 635 187.909 -7.382 -2.125 329 2HG2 VAL 635 2HG2 VAL 635 186.501 -7.861 -1.174 330 3HG2 VAL 635 3HG2 VAL 635 188.093 -7.789 -0.417 331 H GLY 636 H GLY 636 187.888 -6.001 2.192 332 1HA GLY 636 1HA GLY 636 187.451 -3.225 3.112 333 2HA GLY 636 2HA GLY 636 187.642 -4.559 4.241 334 H GLY 637 H GLY 637 189.227 -2.059 3.779 335 1HA GLY 637 1HA GLY 637 191.463 -1.591 4.178 336 2HA GLY 637 2HA GLY 637 191.819 -3.304 4.010 337 H LYS 638 H LYS 638 190.877 -0.472 2.077 338 HA LYS 638 HA LYS 638 192.746 -1.392 0.002 339 1HB LYS 638 1HB LYS 638 190.010 -0.207 -0.504 340 2HB LYS 638 2HB LYS 638 191.184 -0.648 -1.736 341 1HG LYS 638 1HG LYS 638 190.161 -2.678 0.210 342 2HG LYS 638 2HG LYS 638 189.249 -2.259 -1.242 343 1HD LYS 638 1HD LYS 638 192.065 -2.762 -1.788 344 2HD LYS 638 2HD LYS 638 191.253 -4.151 -1.062 345 1HE LYS 638 1HE LYS 638 189.985 -4.523 -2.886 346 2HE LYS 638 2HE LYS 638 189.745 -2.803 -3.193 347 1HZ LYS 638 1HZ LYS 638 191.012 -3.736 -4.970 348 2HZ LYS 638 2HZ LYS 638 192.132 -4.419 -3.901 349 3HZ LYS 638 3HZ LYS 638 192.040 -2.739 -4.069 350 H MET 639 H MET 639 194.326 0.071 0.545 351 HA MET 639 HA MET 639 193.955 2.762 1.198 352 1HB MET 639 1HB MET 639 196.077 1.254 1.328 353 2HB MET 639 2HB MET 639 196.378 1.828 -0.307 354 1HG MET 639 1HG MET 639 197.472 3.491 0.689 355 2HG MET 639 2HG MET 639 195.869 4.157 0.999 356 1HE MET 639 1HE MET 639 195.071 4.821 2.977 357 2HE MET 639 2HE MET 639 195.526 4.340 4.611 358 3HE MET 639 3HE MET 639 194.544 3.263 3.616 359 H THR 640 H THR 640 192.765 4.075 -0.055 360 HA THR 640 HA THR 640 192.881 3.942 -2.933 361 HB THR 640 HB THR 640 191.301 5.914 -2.767 362 HG1 THR 640 HG1 THR 640 190.558 6.478 -0.767 363 1HG2 THR 640 1HG2 THR 640 190.604 3.444 -2.771 364 2HG2 THR 640 2HG2 THR 640 189.431 4.655 -2.254 365 3HG2 THR 640 3HG2 THR 640 190.287 3.688 -1.053 366 H ASP 641 H ASP 641 192.846 6.334 -3.958 367 HA ASP 641 HA ASP 641 195.530 7.220 -3.841 368 1HB ASP 641 1HB ASP 641 194.647 9.117 -5.289 369 2HB ASP 641 2HB ASP 641 194.401 7.486 -5.908 370 H LEU 642 H LEU 642 192.693 8.119 -2.095 371 HA LEU 642 HA LEU 642 193.447 10.745 -1.356 372 1HB LEU 642 1HB LEU 642 191.597 8.733 -0.087 373 2HB LEU 642 2HB LEU 642 191.824 10.349 0.554 374 HG LEU 642 HG LEU 642 189.831 10.382 -0.742 375 1HD1 LEU 642 1HD1 LEU 642 191.364 12.312 -0.996 376 2HD1 LEU 642 2HD1 LEU 642 190.310 12.062 -2.388 377 3HD1 LEU 642 3HD1 LEU 642 192.001 11.568 -2.463 378 1HD2 LEU 642 1HD2 LEU 642 190.537 8.298 -2.054 379 2HD2 LEU 642 2HD2 LEU 642 191.310 9.424 -3.169 380 3HD2 LEU 642 3HD2 LEU 642 189.570 9.512 -2.892 381 H GLY 643 H GLY 643 194.332 7.592 -0.192 382 1HA GLY 643 1HA GLY 643 196.395 7.316 1.011 383 2HA GLY 643 2HA GLY 643 196.124 8.884 1.754 384 H ARG 644 H ARG 644 193.325 6.954 1.598 385 HA ARG 644 HA ARG 644 193.758 5.990 4.345 386 1HB ARG 644 1HB ARG 644 191.267 7.301 3.244 387 2HB ARG 644 2HB ARG 644 191.369 6.514 4.813 388 1HG ARG 644 1HG ARG 644 193.427 8.542 4.366 389 2HG ARG 644 2HG ARG 644 191.777 9.167 4.346 390 1HD ARG 644 1HD ARG 644 192.612 7.301 6.520 391 2HD ARG 644 2HD ARG 644 193.111 8.991 6.594 392 HE ARG 644 HE ARG 644 190.350 8.861 6.084 393 1HH1 ARG 644 1HH1 ARG 644 192.641 8.246 8.644 394 2HH1 ARG 644 2HH1 ARG 644 191.502 8.567 9.910 395 1HH2 ARG 644 1HH2 ARG 644 188.852 9.283 7.747 396 2HH2 ARG 644 2HH2 ARG 644 189.351 9.154 9.400 397 H LEU 645 H LEU 645 192.131 4.288 4.969 398 HA LEU 645 HA LEU 645 191.947 2.365 2.789 399 1HB LEU 645 1HB LEU 645 191.656 2.166 5.774 400 2HB LEU 645 2HB LEU 645 191.172 0.850 4.721 401 HG LEU 645 HG LEU 645 193.948 1.977 5.067 402 1HD1 LEU 645 1HD1 LEU 645 194.418 0.163 6.314 403 2HD1 LEU 645 2HD1 LEU 645 193.377 -0.894 5.361 404 3HD1 LEU 645 3HD1 LEU 645 192.676 0.152 6.596 405 1HD2 LEU 645 1HD2 LEU 645 194.288 -0.204 3.518 406 2HD2 LEU 645 2HD2 LEU 645 194.182 1.441 2.891 407 3HD2 LEU 645 3HD2 LEU 645 192.758 0.402 2.882 408 H GLY 646 H GLY 646 190.035 1.312 2.185 409 1HA GLY 646 1HA GLY 646 187.515 2.249 3.313 410 2HA GLY 646 2HA GLY 646 187.809 2.650 1.627 411 H ALA 647 H ALA 647 185.817 1.394 1.319 412 HA ALA 647 HA ALA 647 186.416 -1.488 1.132 413 1HB ALA 647 1HB ALA 647 183.714 -1.476 1.234 414 2HB ALA 647 2HB ALA 647 184.087 -0.107 2.282 415 3HB ALA 647 3HB ALA 647 184.758 -1.699 2.639 416 H PHE 648 H PHE 648 185.858 -2.534 -0.737 417 HA PHE 648 HA PHE 648 184.598 -0.927 -2.856 418 1HB PHE 648 1HB PHE 648 187.172 -2.463 -2.937 419 2HB PHE 648 2HB PHE 648 186.210 -2.299 -4.403 420 HD1 PHE 648 HD1 PHE 648 185.986 -0.176 -5.512 421 HD2 PHE 648 HD2 PHE 648 188.229 -0.533 -1.913 422 HE1 PHE 648 HE1 PHE 648 186.975 2.041 -5.913 423 HE2 PHE 648 HE2 PHE 648 189.222 1.683 -2.307 424 HZ PHE 648 HZ PHE 648 188.594 2.974 -4.308 425 H ILE 649 H ILE 649 183.245 -2.029 -4.255 426 HA ILE 649 HA ILE 649 182.299 -4.585 -3.283 427 HB ILE 649 HB ILE 649 181.278 -2.813 -5.504 428 1HG1 ILE 649 1HG1 ILE 649 179.832 -3.388 -2.945 429 2HG1 ILE 649 2HG1 ILE 649 181.135 -2.203 -2.945 430 1HG2 ILE 649 1HG2 ILE 649 180.062 -5.316 -4.341 431 2HG2 ILE 649 2HG2 ILE 649 180.726 -5.136 -5.966 432 3HG2 ILE 649 3HG2 ILE 649 179.282 -4.237 -5.498 433 1HD1 ILE 649 1HD1 ILE 649 178.702 -1.424 -3.310 434 2HD1 ILE 649 2HD1 ILE 649 178.939 -2.011 -4.957 435 3HD1 ILE 649 3HD1 ILE 649 179.985 -0.745 -4.312 436 H THR 650 H THR 650 182.935 -6.476 -4.046 437 HA THR 650 HA THR 650 184.577 -6.593 -6.427 438 HB THR 650 HB THR 650 184.834 -9.007 -5.801 439 HG1 THR 650 HG1 THR 650 183.445 -8.284 -3.446 440 1HG2 THR 650 1HG2 THR 650 186.578 -8.386 -4.606 441 2HG2 THR 650 2HG2 THR 650 185.533 -7.968 -3.247 442 3HG2 THR 650 3HG2 THR 650 185.898 -6.764 -4.483 443 H LYS 651 H LYS 651 181.311 -7.448 -5.495 444 HA LYS 651 HA LYS 651 180.534 -7.770 -8.201 445 1HB LYS 651 1HB LYS 651 180.130 -10.083 -8.373 446 2HB LYS 651 2HB LYS 651 181.754 -9.946 -7.716 447 1HG LYS 651 1HG LYS 651 180.926 -10.442 -5.490 448 2HG LYS 651 2HG LYS 651 179.271 -10.499 -6.102 449 1HD LYS 651 1HD LYS 651 181.375 -12.264 -7.288 450 2HD LYS 651 2HD LYS 651 180.598 -12.711 -5.768 451 1HE LYS 651 1HE LYS 651 179.233 -13.758 -7.296 452 2HE LYS 651 2HE LYS 651 178.397 -12.220 -7.084 453 1HZ LYS 651 1HZ LYS 651 180.413 -12.389 -9.194 454 2HZ LYS 651 2HZ LYS 651 178.962 -11.521 -9.153 455 3HZ LYS 651 3HZ LYS 651 178.942 -13.184 -9.455 456 H VAL 652 H VAL 652 178.341 -7.840 -8.501 457 HA VAL 652 HA VAL 652 176.688 -7.627 -6.064 458 HB VAL 652 HB VAL 652 175.170 -6.421 -8.002 459 1HG1 VAL 652 1HG1 VAL 652 175.640 -4.347 -6.882 460 2HG1 VAL 652 2HG1 VAL 652 177.147 -4.997 -6.229 461 3HG1 VAL 652 3HG1 VAL 652 175.598 -5.648 -5.691 462 1HG2 VAL 652 1HG2 VAL 652 177.167 -6.551 -9.530 463 2HG2 VAL 652 2HG2 VAL 652 177.963 -5.401 -8.454 464 3HG2 VAL 652 3HG2 VAL 652 176.483 -4.941 -9.300 465 H LYS 653 H LYS 653 174.852 -8.843 -5.938 466 HA LYS 653 HA LYS 653 174.557 -10.992 -7.825 467 1HB LYS 653 1HB LYS 653 173.664 -10.398 -5.137 468 2HB LYS 653 2HB LYS 653 172.336 -11.006 -6.115 469 1HG LYS 653 1HG LYS 653 174.816 -12.523 -6.409 470 2HG LYS 653 2HG LYS 653 174.142 -12.543 -4.779 471 1HD LYS 653 1HD LYS 653 171.902 -13.050 -6.021 472 2HD LYS 653 2HD LYS 653 172.967 -13.557 -7.334 473 1HE LYS 653 1HE LYS 653 172.969 -15.544 -6.300 474 2HE LYS 653 2HE LYS 653 174.106 -14.789 -5.183 475 1HZ LYS 653 1HZ LYS 653 172.580 -14.703 -3.551 476 2HZ LYS 653 2HZ LYS 653 171.847 -15.959 -4.415 477 3HZ LYS 653 3HZ LYS 653 171.292 -14.372 -4.598 478 H LYS 654 H LYS 654 173.690 -10.533 -9.746 479 HA LYS 654 HA LYS 654 172.004 -8.429 -10.382 480 1HB LYS 654 1HB LYS 654 172.250 -11.130 -11.715 481 2HB LYS 654 2HB LYS 654 171.435 -9.741 -12.422 482 1HG LYS 654 1HG LYS 654 173.428 -8.562 -12.701 483 2HG LYS 654 2HG LYS 654 174.300 -9.591 -11.564 484 1HD LYS 654 1HD LYS 654 173.194 -10.556 -14.196 485 2HD LYS 654 2HD LYS 654 174.850 -9.990 -13.976 486 1HE LYS 654 1HE LYS 654 175.435 -12.021 -13.298 487 2HE LYS 654 2HE LYS 654 174.332 -11.870 -11.931 488 1HZ LYS 654 1HZ LYS 654 173.129 -12.579 -14.482 489 2HZ LYS 654 2HZ LYS 654 172.782 -13.144 -12.927 490 3HZ LYS 654 3HZ LYS 654 174.111 -13.760 -13.772 491 H GLY 655 H GLY 655 170.241 -8.109 -9.095 492 1HA GLY 655 1HA GLY 655 167.797 -8.657 -9.383 493 2HA GLY 655 2HA GLY 655 168.266 -10.303 -8.989 494 H SER 656 H SER 656 170.202 -9.431 -6.957 495 HA SER 656 HA SER 656 168.533 -9.516 -4.710 496 1HB SER 656 1HB SER 656 171.093 -10.038 -4.986 497 2HB SER 656 2HB SER 656 171.285 -8.349 -4.518 498 HG SER 656 HG SER 656 170.490 -8.782 -2.560 499 H LEU 657 H LEU 657 168.817 -7.810 -2.885 500 HA LEU 657 HA LEU 657 167.426 -5.514 -3.630 501 1HB LEU 657 1HB LEU 657 169.152 -5.731 -1.178 502 2HB LEU 657 2HB LEU 657 167.707 -4.762 -1.391 503 HG LEU 657 HG LEU 657 167.171 -7.590 -1.797 504 1HD1 LEU 657 1HD1 LEU 657 167.328 -7.748 0.891 505 2HD1 LEU 657 2HD1 LEU 657 168.763 -6.785 0.543 506 3HD1 LEU 657 3HD1 LEU 657 168.560 -8.367 -0.208 507 1HD2 LEU 657 1HD2 LEU 657 165.397 -6.025 -1.484 508 2HD2 LEU 657 2HD2 LEU 657 166.099 -5.446 0.027 509 3HD2 LEU 657 3HD2 LEU 657 165.438 -7.079 -0.071 510 H ALA 658 H ALA 658 170.851 -5.883 -2.798 511 HA ALA 658 HA ALA 658 171.689 -3.271 -3.026 512 1HB ALA 658 1HB ALA 658 173.536 -5.247 -4.185 513 2HB ALA 658 2HB ALA 658 172.942 -5.612 -2.565 514 3HB ALA 658 3HB ALA 658 173.779 -4.092 -2.876 515 H ASP 659 H ASP 659 170.790 -5.475 -5.556 516 HA ASP 659 HA ASP 659 171.914 -3.797 -7.640 517 1HB ASP 659 1HB ASP 659 171.756 -6.391 -7.642 518 2HB ASP 659 2HB ASP 659 170.085 -6.127 -8.133 519 H VAL 660 H VAL 660 168.682 -4.987 -6.785 520 HA VAL 660 HA VAL 660 167.332 -3.265 -8.587 521 HB VAL 660 HB VAL 660 165.306 -3.828 -7.043 522 1HG1 VAL 660 1HG1 VAL 660 166.787 -5.480 -8.989 523 2HG1 VAL 660 2HG1 VAL 660 165.130 -4.877 -9.034 524 3HG1 VAL 660 3HG1 VAL 660 165.527 -6.294 -8.063 525 1HG2 VAL 660 1HG2 VAL 660 166.560 -6.309 -6.249 526 2HG2 VAL 660 2HG2 VAL 660 165.606 -5.174 -5.295 527 3HG2 VAL 660 3HG2 VAL 660 167.339 -4.922 -5.488 528 H VAL 661 H VAL 661 167.554 -3.138 -5.010 529 HA VAL 661 HA VAL 661 166.521 -0.418 -5.082 530 HB VAL 661 HB VAL 661 165.602 -1.897 -3.387 531 1HG1 VAL 661 1HG1 VAL 661 168.465 -2.190 -2.544 532 2HG1 VAL 661 2HG1 VAL 661 167.284 -3.447 -2.910 533 3HG1 VAL 661 3HG1 VAL 661 167.133 -2.499 -1.431 534 1HG2 VAL 661 1HG2 VAL 661 165.309 0.000 -2.269 535 2HG2 VAL 661 2HG2 VAL 661 166.848 0.640 -2.845 536 3HG2 VAL 661 3HG2 VAL 661 166.796 -0.349 -1.386 537 H GLY 662 H GLY 662 169.504 -2.132 -4.265 538 1HA GLY 662 1HA GLY 662 170.876 0.086 -3.165 539 2HA GLY 662 2HA GLY 662 171.627 -1.356 -3.834 540 H HIS 663 H HIS 663 171.171 -1.385 -6.393 541 HA HIS 663 HA HIS 663 171.584 -0.480 -8.433 542 1HB HIS 663 1HB HIS 663 170.054 1.392 -7.393 543 2HB HIS 663 2HB HIS 663 171.553 2.313 -7.370 544 HD1 HIS 663 HD1 HIS 663 172.453 3.159 -9.601 545 HD2 HIS 663 HD2 HIS 663 169.074 0.770 -9.981 546 HE1 HIS 663 HE1 HIS 663 171.709 3.422 -11.989 547 HE2 HIS 663 HE2 HIS 663 169.718 1.895 -12.219 548 H LEU 664 H LEU 664 173.770 -1.406 -7.218 549 HA LEU 664 HA LEU 664 175.787 0.539 -8.054 550 1HB LEU 664 1HB LEU 664 177.239 -0.462 -6.124 551 2HB LEU 664 2HB LEU 664 176.153 0.877 -5.821 552 HG LEU 664 HG LEU 664 176.171 -0.905 -4.067 553 1HD1 LEU 664 1HD1 LEU 664 174.234 0.042 -3.585 554 2HD1 LEU 664 2HD1 LEU 664 173.433 -1.128 -4.631 555 3HD1 LEU 664 3HD1 LEU 664 173.950 0.426 -5.281 556 1HD2 LEU 664 1HD2 LEU 664 176.205 -2.700 -5.996 557 2HD2 LEU 664 2HD2 LEU 664 174.454 -2.586 -5.813 558 3HD2 LEU 664 3HD2 LEU 664 175.457 -3.037 -4.434 559 H ARG 665 H ARG 665 178.009 -0.643 -8.153 560 HA ARG 665 HA ARG 665 177.690 -3.429 -8.956 561 1HB ARG 665 1HB ARG 665 178.842 -1.315 -10.782 562 2HB ARG 665 2HB ARG 665 178.815 -3.042 -11.107 563 1HG ARG 665 1HG ARG 665 176.441 -3.053 -11.277 564 2HG ARG 665 2HG ARG 665 176.337 -1.392 -10.688 565 1HD ARG 665 1HD ARG 665 177.933 -0.983 -12.783 566 2HD ARG 665 2HD ARG 665 177.096 -2.423 -13.362 567 HE ARG 665 HE ARG 665 175.105 -0.774 -12.479 568 1HH1 ARG 665 1HH1 ARG 665 177.704 -0.484 -14.789 569 2HH1 ARG 665 2HH1 ARG 665 176.846 0.625 -15.806 570 1HH2 ARG 665 1HH2 ARG 665 173.973 0.684 -13.814 571 2HH2 ARG 665 2HH2 ARG 665 174.727 1.288 -15.251 572 H ALA 666 H ALA 666 179.822 -4.443 -9.489 573 HA ALA 666 HA ALA 666 181.606 -4.137 -7.378 574 1HB ALA 666 1HB ALA 666 181.295 -6.125 -8.955 575 2HB ALA 666 2HB ALA 666 182.933 -5.764 -8.406 576 3HB ALA 666 3HB ALA 666 182.421 -5.288 -10.025 577 H GLY 667 H GLY 667 183.089 -2.662 -6.953 578 1HA GLY 667 1HA GLY 667 185.163 -1.604 -7.896 579 2HA GLY 667 2HA GLY 667 184.121 -1.036 -9.194 580 H ASP 668 H ASP 668 181.928 -0.651 -7.151 581 HA ASP 668 HA ASP 668 182.376 2.098 -6.657 582 1HB ASP 668 1HB ASP 668 180.256 0.127 -6.081 583 2HB ASP 668 2HB ASP 668 180.346 1.471 -4.947 584 H GLU 669 H GLU 669 182.893 3.199 -4.786 585 HA GLU 669 HA GLU 669 184.185 1.566 -2.719 586 1HB GLU 669 1HB GLU 669 185.476 3.351 -3.999 587 2HB GLU 669 2HB GLU 669 184.516 4.534 -3.121 588 1HG GLU 669 1HG GLU 669 185.351 3.555 -1.000 589 2HG GLU 669 2HG GLU 669 186.408 2.512 -1.949 590 H VAL 670 H VAL 670 182.983 1.204 -0.977 591 HA VAL 670 HA VAL 670 180.941 3.138 -0.200 592 HB VAL 670 HB VAL 670 181.497 0.312 0.700 593 1HG1 VAL 670 1HG1 VAL 670 179.272 0.689 1.988 594 2HG1 VAL 670 2HG1 VAL 670 179.730 2.392 1.930 595 3HG1 VAL 670 3HG1 VAL 670 180.792 1.220 2.711 596 1HG2 VAL 670 1HG2 VAL 670 180.283 0.835 -1.479 597 2HG2 VAL 670 2HG2 VAL 670 178.969 1.438 -0.468 598 3HG2 VAL 670 3HG2 VAL 670 179.472 -0.250 -0.349 599 H LEU 671 H LEU 671 181.754 4.778 0.963 600 HA LEU 671 HA LEU 671 183.898 4.337 2.861 601 1HB LEU 671 1HB LEU 671 182.362 6.885 2.381 602 2HB LEU 671 2HB LEU 671 183.927 6.717 3.150 603 HG LEU 671 HG LEU 671 184.512 7.518 1.071 604 1HD1 LEU 671 1HD1 LEU 671 184.501 4.522 0.750 605 2HD1 LEU 671 2HD1 LEU 671 185.783 5.509 1.450 606 3HD1 LEU 671 3HD1 LEU 671 185.407 5.642 -0.267 607 1HD2 LEU 671 1HD2 LEU 671 182.748 5.699 -0.487 608 2HD2 LEU 671 2HD2 LEU 671 183.332 7.316 -0.878 609 3HD2 LEU 671 3HD2 LEU 671 182.036 7.106 0.300 610 H GLU 672 H GLU 672 180.731 3.689 3.029 611 HA GLU 672 HA GLU 672 180.698 4.022 5.920 612 1HB GLU 672 1HB GLU 672 178.585 5.153 4.093 613 2HB GLU 672 2HB GLU 672 178.376 4.958 5.829 614 1HG GLU 672 1HG GLU 672 180.660 6.347 5.822 615 2HG GLU 672 2HG GLU 672 179.960 6.934 4.314 616 H TRP 673 H TRP 673 179.917 2.267 6.880 617 HA TRP 673 HA TRP 673 178.041 0.543 5.405 618 1HB TRP 673 1HB TRP 673 180.481 -0.290 5.474 619 2HB TRP 673 2HB TRP 673 180.200 -0.574 7.188 620 HD1 TRP 673 HD1 TRP 673 178.077 -2.321 7.730 621 HE1 TRP 673 HE1 TRP 673 177.408 -4.455 6.452 622 HE3 TRP 673 HE3 TRP 673 180.433 -1.377 3.299 623 HZ2 TRP 673 HZ2 TRP 673 177.840 -5.588 3.893 624 HZ3 TRP 673 HZ3 TRP 673 180.253 -3.030 1.492 625 HH2 TRP 673 HH2 TRP 673 178.978 -5.096 1.784 626 H ASN 674 H ASN 674 176.199 0.600 6.524 627 HA ASN 674 HA ASN 674 174.712 0.413 8.237 628 1HB ASN 674 1HB ASN 674 176.245 -1.483 8.940 629 2HB ASN 674 2HB ASN 674 177.024 -0.339 10.029 630 1HD2 ASN 674 1HD2 ASN 674 173.740 -1.359 9.148 631 2HD2 ASN 674 2HD2 ASN 674 173.149 -1.439 10.769 632 H GLY 675 H GLY 675 175.876 2.892 7.610 633 1HA GLY 675 1HA GLY 675 175.803 5.043 8.412 634 2HA GLY 675 2HA GLY 675 175.097 4.399 9.885 635 H LYS 676 H LYS 676 178.143 3.070 8.976 636 HA LYS 676 HA LYS 676 179.426 4.698 11.071 637 1HB LYS 676 1HB LYS 676 180.092 2.779 11.994 638 2HB LYS 676 2HB LYS 676 179.249 1.885 10.743 639 1HG LYS 676 1HG LYS 676 181.199 1.091 10.045 640 2HG LYS 676 2HG LYS 676 181.704 2.722 9.595 641 1HD LYS 676 1HD LYS 676 183.299 1.610 11.115 642 2HD LYS 676 2HD LYS 676 182.617 3.078 11.813 643 1HE LYS 676 1HE LYS 676 181.261 1.885 13.297 644 2HE LYS 676 2HE LYS 676 181.412 0.390 12.373 645 1HZ LYS 676 1HZ LYS 676 183.712 0.227 13.055 646 2HZ LYS 676 2HZ LYS 676 182.720 0.349 14.418 647 3HZ LYS 676 3HZ LYS 676 183.607 1.691 13.896 648 HA PRO 677 HA PRO 677 182.248 6.027 7.936 649 1HB PRO 677 1HB PRO 677 184.203 7.070 9.439 650 2HB PRO 677 2HB PRO 677 182.599 7.812 9.385 651 1HG PRO 677 1HG PRO 677 183.811 6.066 11.484 652 2HG PRO 677 2HG PRO 677 182.772 7.489 11.672 653 1HD PRO 677 1HD PRO 677 181.909 4.858 11.819 654 2HD PRO 677 2HD PRO 677 180.866 6.253 11.487 655 H LEU 678 H LEU 678 183.354 4.613 6.782 656 HA LEU 678 HA LEU 678 184.990 2.574 8.017 657 1HB LEU 678 1HB LEU 678 184.380 3.076 5.107 658 2HB LEU 678 2HB LEU 678 185.201 1.667 5.752 659 HG LEU 678 HG LEU 678 182.350 2.439 6.377 660 1HD1 LEU 678 1HD1 LEU 678 181.864 1.565 4.393 661 2HD1 LEU 678 2HD1 LEU 678 182.385 0.010 5.041 662 3HD1 LEU 678 3HD1 LEU 678 183.522 1.020 4.147 663 1HD2 LEU 678 1HD2 LEU 678 182.345 0.865 7.950 664 2HD2 LEU 678 2HD2 LEU 678 184.104 0.815 7.806 665 3HD2 LEU 678 3HD2 LEU 678 183.110 -0.305 6.874 666 HA PRO 679 HA PRO 679 188.079 5.265 5.022 667 1HB PRO 679 1HB PRO 679 187.228 7.648 6.635 668 2HB PRO 679 2HB PRO 679 187.933 7.588 5.014 669 1HG PRO 679 1HG PRO 679 185.313 7.916 5.330 670 2HG PRO 679 2HG PRO 679 185.950 6.891 4.031 671 1HD PRO 679 1HD PRO 679 184.582 6.125 6.544 672 2HD PRO 679 2HD PRO 679 184.663 5.264 4.995 673 H GLY 680 H GLY 680 189.807 4.371 5.946 674 1HA GLY 680 1HA GLY 680 191.709 4.794 7.386 675 2HA GLY 680 2HA GLY 680 190.584 5.325 8.626 676 H ALA 681 H ALA 681 188.958 2.823 7.554 677 HA ALA 681 HA ALA 681 190.128 1.013 9.526 678 1HB ALA 681 1HB ALA 681 187.480 1.666 8.760 679 2HB ALA 681 2HB ALA 681 188.014 0.568 10.031 680 3HB ALA 681 3HB ALA 681 187.735 -0.041 8.400 681 H THR 682 H THR 682 190.896 -0.995 9.059 682 HA THR 682 HA THR 682 191.452 -1.536 6.249 683 HB THR 682 HB THR 682 193.384 -1.682 7.605 684 HG1 THR 682 HG1 THR 682 193.555 -3.379 6.299 685 1HG2 THR 682 1HG2 THR 682 192.773 -1.846 9.805 686 2HG2 THR 682 2HG2 THR 682 193.407 -3.461 9.486 687 3HG2 THR 682 3HG2 THR 682 191.665 -3.185 9.511 688 H ASN 683 H ASN 683 191.632 -4.127 5.939 689 HA ASN 683 HA ASN 683 189.079 -5.057 5.518 690 1HB ASN 683 1HB ASN 683 191.262 -5.968 4.583 691 2HB ASN 683 2HB ASN 683 191.416 -6.878 6.081 692 1HD2 ASN 683 1HD2 ASN 683 189.599 -6.481 3.142 693 2HD2 ASN 683 2HD2 ASN 683 188.781 -8.002 3.207 694 H GLU 684 H GLU 684 191.163 -5.660 8.323 695 HA GLU 684 HA GLU 684 189.399 -7.471 9.589 696 1HB GLU 684 1HB GLU 684 190.763 -7.019 11.626 697 2HB GLU 684 2HB GLU 684 191.718 -7.456 10.217 698 1HG GLU 684 1HG GLU 684 192.330 -5.158 9.858 699 2HG GLU 684 2HG GLU 684 191.264 -4.636 11.162 700 H GLU 685 H GLU 685 189.769 -3.973 9.781 701 HA GLU 685 HA GLU 685 188.051 -3.565 11.977 702 1HB GLU 685 1HB GLU 685 189.561 -1.946 10.259 703 2HB GLU 685 2HB GLU 685 187.899 -1.412 10.046 704 1HG GLU 685 1HG GLU 685 188.315 -0.119 11.817 705 2HG GLU 685 2HG GLU 685 188.047 -1.591 12.746 706 H VAL 686 H VAL 686 187.410 -3.143 8.497 707 HA VAL 686 HA VAL 686 184.686 -2.730 8.603 708 HB VAL 686 HB VAL 686 186.267 -4.209 6.496 709 1HG1 VAL 686 1HG1 VAL 686 184.438 -3.820 4.983 710 2HG1 VAL 686 2HG1 VAL 686 183.536 -2.961 6.231 711 3HG1 VAL 686 3HG1 VAL 686 183.839 -4.690 6.394 712 1HG2 VAL 686 1HG2 VAL 686 186.235 -2.067 5.307 713 2HG2 VAL 686 2HG2 VAL 686 187.038 -1.931 6.872 714 3HG2 VAL 686 3HG2 VAL 686 185.394 -1.328 6.670 715 H TYR 687 H TYR 687 186.461 -5.787 8.533 716 HA TYR 687 HA TYR 687 184.444 -7.611 8.223 717 1HB TYR 687 1HB TYR 687 187.045 -7.627 9.647 718 2HB TYR 687 2HB TYR 687 185.920 -8.915 10.060 719 HD1 TYR 687 HD1 TYR 687 186.087 -7.434 6.689 720 HD2 TYR 687 HD2 TYR 687 187.275 -10.684 9.165 721 HE1 TYR 687 HE1 TYR 687 186.804 -8.684 4.695 722 HE2 TYR 687 HE2 TYR 687 187.992 -11.943 7.179 723 HH TYR 687 HH TYR 687 187.262 -10.887 3.967 724 H ASN 688 H ASN 688 185.420 -6.009 11.219 725 HA ASN 688 HA ASN 688 183.469 -7.334 12.831 726 1HB ASN 688 1HB ASN 688 185.114 -4.841 13.309 727 2HB ASN 688 2HB ASN 688 184.065 -5.573 14.519 728 1HD2 ASN 688 1HD2 ASN 688 187.132 -5.251 13.828 729 2HD2 ASN 688 2HD2 ASN 688 187.764 -6.780 14.327 730 H ILE 689 H ILE 689 183.624 -4.239 11.148 731 HA ILE 689 HA ILE 689 181.298 -3.084 12.201 732 HB ILE 689 HB ILE 689 182.814 -2.681 9.642 733 1HG1 ILE 689 1HG1 ILE 689 182.733 -0.288 10.846 734 2HG1 ILE 689 2HG1 ILE 689 182.494 -1.311 12.259 735 1HG2 ILE 689 1HG2 ILE 689 180.588 -2.287 8.913 736 2HG2 ILE 689 2HG2 ILE 689 181.317 -0.709 9.206 737 3HG2 ILE 689 3HG2 ILE 689 180.196 -1.393 10.382 738 1HD1 ILE 689 1HD1 ILE 689 184.588 -2.231 12.112 739 2HD1 ILE 689 2HD1 ILE 689 184.884 -0.590 11.539 740 3HD1 ILE 689 3HD1 ILE 689 184.726 -1.912 10.384 741 H ILE 690 H ILE 690 181.687 -4.657 9.015 742 HA ILE 690 HA ILE 690 179.003 -4.725 8.327 743 HB ILE 690 HB ILE 690 181.110 -6.755 7.577 744 1HG1 ILE 690 1HG1 ILE 690 180.339 -4.070 6.435 745 2HG1 ILE 690 2HG1 ILE 690 181.927 -4.609 6.963 746 1HG2 ILE 690 1HG2 ILE 690 178.559 -6.024 6.141 747 2HG2 ILE 690 2HG2 ILE 690 178.777 -7.466 7.133 748 3HG2 ILE 690 3HG2 ILE 690 179.728 -7.254 5.663 749 1HD1 ILE 690 1HD1 ILE 690 181.094 -6.346 4.895 750 2HD1 ILE 690 2HD1 ILE 690 182.403 -5.166 4.881 751 3HD1 ILE 690 3HD1 ILE 690 180.786 -4.692 4.368 752 H LEU 691 H LEU 691 180.907 -7.321 9.886 753 HA LEU 691 HA LEU 691 178.893 -9.195 10.154 754 1HB LEU 691 1HB LEU 691 181.413 -8.603 11.583 755 2HB LEU 691 2HB LEU 691 180.272 -9.634 12.424 756 HG LEU 691 HG LEU 691 180.536 -11.374 10.957 757 1HD1 LEU 691 1HD1 LEU 691 179.855 -10.413 8.922 758 2HD1 LEU 691 2HD1 LEU 691 181.480 -11.035 8.624 759 3HD1 LEU 691 3HD1 LEU 691 181.231 -9.309 8.889 760 1HD2 LEU 691 1HD2 LEU 691 182.640 -11.437 11.812 761 2HD2 LEU 691 2HD2 LEU 691 183.044 -9.823 11.228 762 3HD2 LEU 691 3HD2 LEU 691 183.047 -11.190 10.114 763 H GLU 692 H GLU 692 179.792 -6.626 12.408 764 HA GLU 692 HA GLU 692 177.823 -7.196 14.344 765 1HB GLU 692 1HB GLU 692 179.447 -4.757 13.685 766 2HB GLU 692 2HB GLU 692 178.197 -4.690 14.919 767 1HG GLU 692 1HG GLU 692 179.591 -6.931 15.629 768 2HG GLU 692 2HG GLU 692 180.859 -5.877 15.003 769 H SER 693 H SER 693 177.692 -5.578 11.294 770 HA SER 693 HA SER 693 175.075 -4.421 11.890 771 1HB SER 693 1HB SER 693 176.756 -4.134 9.392 772 2HB SER 693 2HB SER 693 175.314 -3.205 9.800 773 HG SER 693 HG SER 693 176.545 -2.529 11.717 774 H LYS 694 H LYS 694 176.318 -7.277 10.626 775 HA LYS 694 HA LYS 694 174.379 -7.706 8.562 776 1HB LYS 694 1HB LYS 694 175.290 -9.883 8.339 777 2HB LYS 694 2HB LYS 694 176.642 -8.819 8.697 778 1HG LYS 694 1HG LYS 694 177.212 -10.168 10.350 779 2HG LYS 694 2HG LYS 694 175.711 -9.746 11.175 780 1HD LYS 694 1HD LYS 694 174.695 -11.689 10.603 781 2HD LYS 694 2HD LYS 694 175.492 -11.763 9.029 782 1HE LYS 694 1HE LYS 694 177.052 -13.145 9.811 783 2HE LYS 694 2HE LYS 694 177.410 -12.066 11.159 784 1HZ LYS 694 1HZ LYS 694 175.523 -14.321 11.040 785 2HZ LYS 694 2HZ LYS 694 175.252 -13.062 12.137 786 3HZ LYS 694 3HZ LYS 694 176.684 -13.956 12.216 787 H SER 695 H SER 695 174.105 -7.638 11.881 788 HA SER 695 HA SER 695 171.988 -9.664 11.955 789 1HB SER 695 1HB SER 695 172.128 -8.851 14.510 790 2HB SER 695 2HB SER 695 173.199 -10.085 13.847 791 HG SER 695 HG SER 695 173.803 -7.315 13.953 792 H GLU 696 H GLU 696 172.499 -6.254 11.920 793 HA GLU 696 HA GLU 696 170.154 -5.380 13.192 794 1HB GLU 696 1HB GLU 696 171.716 -4.074 10.956 795 2HB GLU 696 2HB GLU 696 170.502 -3.274 11.944 796 1HG GLU 696 1HG GLU 696 172.025 -4.061 13.918 797 2HG GLU 696 2HG GLU 696 173.255 -4.147 12.658 798 HA PRO 697 HA PRO 697 166.961 -6.275 10.293 799 1HB PRO 697 1HB PRO 697 165.250 -4.219 10.684 800 2HB PRO 697 2HB PRO 697 165.491 -5.496 11.883 801 1HG PRO 697 1HG PRO 697 166.659 -2.741 11.788 802 2HG PRO 697 2HG PRO 697 165.990 -3.626 13.172 803 1HD PRO 697 1HD PRO 697 168.658 -3.426 12.698 804 2HD PRO 697 2HD PRO 697 167.923 -4.830 13.497 805 H GLN 698 H GLN 698 168.846 -3.435 9.976 806 HA GLN 698 HA GLN 698 168.303 -3.347 7.138 807 1HB GLN 698 1HB GLN 698 166.577 -1.852 8.129 808 2HB GLN 698 2HB GLN 698 167.864 -0.875 8.823 809 1HG GLN 698 1HG GLN 698 168.654 -0.272 6.637 810 2HG GLN 698 2HG GLN 698 167.500 -1.367 5.877 811 1HE2 GLN 698 1HE2 GLN 698 168.013 1.725 7.259 812 2HE2 GLN 698 2HE2 GLN 698 166.429 2.359 6.986 813 H VAL 699 H VAL 699 169.776 -1.838 6.006 814 HA VAL 699 HA VAL 699 172.210 -1.220 7.528 815 HB VAL 699 HB VAL 699 172.109 -2.739 4.917 816 1HG1 VAL 699 1HG1 VAL 699 173.908 -1.088 4.855 817 2HG1 VAL 699 2HG1 VAL 699 174.555 -2.726 4.978 818 3HG1 VAL 699 3HG1 VAL 699 174.516 -1.684 6.402 819 1HG2 VAL 699 1HG2 VAL 699 171.727 -3.981 7.083 820 2HG2 VAL 699 2HG2 VAL 699 173.387 -3.563 7.511 821 3HG2 VAL 699 3HG2 VAL 699 173.066 -4.556 6.089 822 H GLU 700 H GLU 700 173.316 0.564 6.865 823 HA GLU 700 HA GLU 700 172.216 2.058 4.576 824 1HB GLU 700 1HB GLU 700 171.714 2.927 6.972 825 2HB GLU 700 2HB GLU 700 173.405 3.409 6.985 826 1HG GLU 700 1HG GLU 700 173.104 4.999 5.341 827 2HG GLU 700 2HG GLU 700 171.634 4.240 4.733 828 H ILE 701 H ILE 701 173.732 1.854 3.027 829 HA ILE 701 HA ILE 701 176.541 2.250 3.813 830 HB ILE 701 HB ILE 701 176.887 1.125 1.440 831 1HG1 ILE 701 1HG1 ILE 701 174.225 0.040 2.388 832 2HG1 ILE 701 2HG1 ILE 701 174.549 0.873 0.871 833 1HG2 ILE 701 1HG2 ILE 701 177.104 -1.053 2.618 834 2HG2 ILE 701 2HG2 ILE 701 176.312 -0.325 4.016 835 3HG2 ILE 701 3HG2 ILE 701 177.865 0.297 3.460 836 1HD1 ILE 701 1HD1 ILE 701 175.750 -0.958 0.010 837 2HD1 ILE 701 2HD1 ILE 701 174.291 -1.629 0.748 838 3HD1 ILE 701 3HD1 ILE 701 175.841 -1.735 1.592 839 H ILE 702 H ILE 702 177.725 3.775 2.857 840 HA ILE 702 HA ILE 702 176.426 5.382 0.757 841 HB ILE 702 HB ILE 702 178.545 6.407 2.633 842 1HG1 ILE 702 1HG1 ILE 702 176.753 5.723 4.081 843 2HG1 ILE 702 2HG1 ILE 702 176.650 7.471 3.902 844 1HG2 ILE 702 1HG2 ILE 702 177.674 7.483 0.354 845 2HG2 ILE 702 2HG2 ILE 702 178.172 8.451 1.741 846 3HG2 ILE 702 3HG2 ILE 702 176.462 8.138 1.453 847 1HD1 ILE 702 1HD1 ILE 702 175.014 5.643 2.183 848 2HD1 ILE 702 2HD1 ILE 702 174.745 7.340 2.579 849 3HD1 ILE 702 3HD1 ILE 702 174.493 6.098 3.805 850 H VAL 703 H VAL 703 177.633 6.032 -1.012 851 HA VAL 703 HA VAL 703 180.350 4.910 -1.209 852 HB VAL 703 HB VAL 703 179.841 4.502 -3.657 853 1HG1 VAL 703 1HG1 VAL 703 178.285 2.872 -1.652 854 2HG1 VAL 703 2HG1 VAL 703 180.012 2.719 -1.978 855 3HG1 VAL 703 3HG1 VAL 703 178.840 2.336 -3.239 856 1HG2 VAL 703 1HG2 VAL 703 177.761 5.914 -3.633 857 2HG2 VAL 703 2HG2 VAL 703 176.972 4.610 -2.746 858 3HG2 VAL 703 3HG2 VAL 703 177.579 4.325 -4.377 859 H SER 704 H SER 704 181.343 5.775 -3.408 860 HA SER 704 HA SER 704 180.665 8.559 -3.904 861 1HB SER 704 1HB SER 704 182.190 8.730 -2.003 862 2HB SER 704 2HB SER 704 183.378 7.733 -2.842 863 HG SER 704 HG SER 704 183.665 9.360 -4.334 864 H ARG 705 H ARG 705 181.199 9.226 -5.930 865 HA ARG 705 HA ARG 705 182.743 7.339 -7.586 866 1HB ARG 705 1HB ARG 705 180.062 8.357 -7.925 867 2HB ARG 705 2HB ARG 705 181.067 8.814 -9.293 868 1HG ARG 705 1HG ARG 705 181.444 6.622 -9.917 869 2HG ARG 705 2HG ARG 705 181.070 5.992 -8.313 870 1HD ARG 705 1HD ARG 705 179.051 5.499 -9.123 871 2HD ARG 705 2HD ARG 705 178.726 7.231 -9.081 872 HE ARG 705 HE ARG 705 180.040 6.387 -11.486 873 1HH1 ARG 705 1HH1 ARG 705 176.949 6.704 -9.897 874 2HH1 ARG 705 2HH1 ARG 705 176.055 6.787 -11.378 875 1HH2 ARG 705 1HH2 ARG 705 178.867 6.496 -13.435 876 2HH2 ARG 705 2HH2 ARG 705 177.143 6.668 -13.387 877 H GLU 943 H GLU 943 189.233 -12.484 -5.141 878 HA GLU 943 HA GLU 943 190.599 -11.853 -3.422 879 1HB GLU 943 1HB GLU 943 192.021 -10.479 -5.077 880 2HB GLU 943 2HB GLU 943 190.949 -9.142 -4.687 881 1HG GLU 943 1HG GLU 943 191.865 -8.822 -2.665 882 2HG GLU 943 2HG GLU 943 192.077 -10.547 -2.370 883 H GLU 944 H GLU 944 188.251 -12.113 -2.882 884 HA GLU 944 HA GLU 944 186.740 -9.656 -2.572 885 1HB GLU 944 1HB GLU 944 186.130 -12.538 -1.915 886 2HB GLU 944 2HB GLU 944 185.034 -11.215 -1.538 887 1HG GLU 944 1HG GLU 944 184.462 -10.876 -3.712 888 2HG GLU 944 2HG GLU 944 186.010 -11.455 -4.326 889 H GLY 945 H GLY 945 185.485 -9.626 -0.310 890 1HA GLY 945 1HA GLY 945 187.509 -9.961 1.811 891 2HA GLY 945 2HA GLY 945 186.607 -8.464 1.645 892 H ILE 946 H ILE 946 184.077 -8.997 1.463 893 HA ILE 946 HA ILE 946 183.385 -11.072 3.405 894 HB ILE 946 HB ILE 946 181.847 -8.645 3.899 895 1HG1 ILE 946 1HG1 ILE 946 184.831 -8.605 4.411 896 2HG1 ILE 946 2HG1 ILE 946 183.908 -7.475 3.422 897 1HG2 ILE 946 1HG2 ILE 946 182.578 -10.984 5.224 898 2HG2 ILE 946 2HG2 ILE 946 181.643 -9.641 5.881 899 3HG2 ILE 946 3HG2 ILE 946 183.391 -9.694 6.112 900 1HD1 ILE 946 1HD1 ILE 946 183.988 -6.218 5.271 901 2HD1 ILE 946 2HD1 ILE 946 184.252 -7.602 6.328 902 3HD1 ILE 946 3HD1 ILE 946 182.628 -7.224 5.768 903 H TRP 947 H TRP 947 181.125 -11.547 3.513 904 HA TRP 947 HA TRP 947 179.837 -11.220 0.912 905 1HB TRP 947 1HB TRP 947 179.851 -13.282 2.966 906 2HB TRP 947 2HB TRP 947 178.220 -12.879 2.437 907 HD1 TRP 947 HD1 TRP 947 180.480 -15.434 1.711 908 HE1 TRP 947 HE1 TRP 947 180.424 -16.212 -0.743 909 HE3 TRP 947 HE3 TRP 947 178.079 -11.427 -0.359 910 HZ2 TRP 947 HZ2 TRP 947 179.484 -15.247 -3.230 911 HZ3 TRP 947 HZ3 TRP 947 177.637 -11.430 -2.776 912 HH2 TRP 947 HH2 TRP 947 178.327 -13.304 -4.182 913 H ALA 948 H ALA 948 178.294 -9.782 0.605 914 HA ALA 948 HA ALA 948 176.435 -9.135 2.733 915 1HB ALA 948 1HB ALA 948 178.320 -7.100 1.562 916 2HB ALA 948 2HB ALA 948 178.157 -7.574 3.252 917 3HB ALA 948 3HB ALA 948 176.860 -6.681 2.461 Start of MODEL 8 1 H HIS 597 H HIS 597 162.975 5.833 1.826 2 HA HIS 597 HA HIS 597 163.450 3.870 1.008 3 1HB HIS 597 1HB HIS 597 160.994 4.710 0.287 4 2HB HIS 597 2HB HIS 597 161.645 4.335 -1.305 5 HD1 HIS 597 HD1 HIS 597 161.614 2.547 2.067 6 HD2 HIS 597 HD2 HIS 597 161.032 1.804 -1.981 7 HE1 HIS 597 HE1 HIS 597 161.046 0.102 1.906 8 HE2 HIS 597 HE2 HIS 597 160.608 -0.303 -0.542 9 HA PRO 598 HA PRO 598 165.053 4.425 -3.482 10 1HB PRO 598 1HB PRO 598 164.831 7.187 -4.274 11 2HB PRO 598 2HB PRO 598 164.050 5.776 -4.987 12 1HG PRO 598 1HG PRO 598 162.725 7.765 -3.629 13 2HG PRO 598 2HG PRO 598 162.119 6.113 -3.831 14 1HD PRO 598 1HD PRO 598 163.456 7.373 -1.474 15 2HD PRO 598 2HD PRO 598 162.126 6.198 -1.527 16 H VAL 599 H VAL 599 167.066 5.269 -4.418 17 HA VAL 599 HA VAL 599 168.769 6.380 -2.324 18 HB VAL 599 HB VAL 599 169.259 4.767 -4.780 19 1HG1 VAL 599 1HG1 VAL 599 170.713 6.606 -5.263 20 2HG1 VAL 599 2HG1 VAL 599 171.701 5.286 -4.639 21 3HG1 VAL 599 3HG1 VAL 599 171.296 6.651 -3.600 22 1HG2 VAL 599 1HG2 VAL 599 170.282 4.762 -1.951 23 2HG2 VAL 599 2HG2 VAL 599 170.854 3.656 -3.200 24 3HG2 VAL 599 3HG2 VAL 599 169.165 3.618 -2.696 25 H THR 600 H THR 600 169.987 8.230 -2.560 26 HA THR 600 HA THR 600 169.436 9.880 -4.931 27 HB THR 600 HB THR 600 169.573 11.820 -3.146 28 HG1 THR 600 HG1 THR 600 168.627 11.172 -1.190 29 1HG2 THR 600 1HG2 THR 600 167.150 11.789 -2.868 30 2HG2 THR 600 2HG2 THR 600 167.106 10.136 -3.485 31 3HG2 THR 600 3HG2 THR 600 167.624 11.457 -4.534 32 H TRP 601 H TRP 601 171.029 11.424 -5.470 33 HA TRP 601 HA TRP 601 173.619 11.084 -4.116 34 1HB TRP 601 1HB TRP 601 173.205 11.224 -7.110 35 2HB TRP 601 2HB TRP 601 174.756 11.106 -6.285 36 HD1 TRP 601 HD1 TRP 601 171.531 9.013 -6.762 37 HE1 TRP 601 HE1 TRP 601 172.177 6.525 -6.647 38 HE3 TRP 601 HE3 TRP 601 176.491 9.511 -5.619 39 HZ2 TRP 601 HZ2 TRP 601 174.482 4.977 -6.140 40 HZ3 TRP 601 HZ3 TRP 601 177.845 7.476 -5.336 41 HH2 TRP 601 HH2 TRP 601 176.860 5.257 -5.591 42 H GLN 602 H GLN 602 174.570 12.939 -3.565 43 HA GLN 602 HA GLN 602 173.604 15.420 -4.824 44 1HB GLN 602 1HB GLN 602 174.177 16.546 -2.690 45 2HB GLN 602 2HB GLN 602 172.923 15.327 -2.509 46 1HG GLN 602 1HG GLN 602 174.688 13.743 -1.729 47 2HG GLN 602 2HG GLN 602 175.820 15.094 -1.739 48 1HE2 GLN 602 1HE2 GLN 602 176.059 14.599 0.533 49 2HE2 GLN 602 2HE2 GLN 602 174.918 15.236 1.666 50 HA PRO 603 HA PRO 603 177.807 15.829 -6.285 51 1HB PRO 603 1HB PRO 603 177.109 18.671 -6.666 52 2HB PRO 603 2HB PRO 603 177.637 17.474 -7.853 53 1HG PRO 603 1HG PRO 603 175.106 18.348 -7.782 54 2HG PRO 603 2HG PRO 603 175.498 16.667 -8.188 55 1HD PRO 603 1HD PRO 603 174.495 17.810 -5.608 56 2HD PRO 603 2HD PRO 603 174.033 16.305 -6.430 57 H SER 604 H SER 604 179.736 16.641 -5.545 58 HA SER 604 HA SER 604 179.603 18.311 -3.120 59 1HB SER 604 1HB SER 604 180.289 16.197 -2.346 60 2HB SER 604 2HB SER 604 181.321 15.921 -3.748 61 HG SER 604 HG SER 604 182.502 16.487 -1.849 62 H LYS 605 H LYS 605 181.166 19.879 -2.813 63 HA LYS 605 HA LYS 605 182.343 20.928 -5.229 64 1HB LYS 605 1HB LYS 605 181.720 21.919 -2.543 65 2HB LYS 605 2HB LYS 605 183.231 22.545 -3.189 66 1HG LYS 605 1HG LYS 605 182.203 23.787 -4.763 67 2HG LYS 605 2HG LYS 605 180.925 22.598 -5.023 68 1HD LYS 605 1HD LYS 605 181.037 24.144 -2.464 69 2HD LYS 605 2HD LYS 605 180.355 24.883 -3.915 70 1HE LYS 605 1HE LYS 605 179.135 22.448 -3.913 71 2HE LYS 605 2HE LYS 605 179.284 22.769 -2.185 72 1HZ LYS 605 1HZ LYS 605 178.383 25.117 -3.044 73 2HZ LYS 605 2HZ LYS 605 177.366 23.864 -2.535 74 3HZ LYS 605 3HZ LYS 605 177.653 24.101 -4.184 75 H GLU 606 H GLU 606 183.362 18.751 -2.899 76 HA GLU 606 HA GLU 606 186.065 19.485 -2.550 77 1HB GLU 606 1HB GLU 606 184.464 17.010 -2.115 78 2HB GLU 606 2HB GLU 606 186.219 16.887 -2.087 79 1HG GLU 606 1HG GLU 606 184.823 18.956 -0.444 80 2HG GLU 606 2HG GLU 606 184.932 17.287 0.116 81 H GLY 607 H GLY 607 184.967 19.197 -5.444 82 1HA GLY 607 1HA GLY 607 186.991 18.949 -7.011 83 2HA GLY 607 2HA GLY 607 186.974 17.291 -6.433 84 H ASP 608 H ASP 608 183.830 18.410 -6.607 85 HA ASP 608 HA ASP 608 182.129 18.222 -8.117 86 1HB ASP 608 1HB ASP 608 184.271 18.828 -9.768 87 2HB ASP 608 2HB ASP 608 183.647 17.332 -10.452 88 H ARG 609 H ARG 609 182.104 16.309 -6.551 89 HA ARG 609 HA ARG 609 182.061 13.825 -8.134 90 1HB ARG 609 1HB ARG 609 182.615 12.581 -6.083 91 2HB ARG 609 2HB ARG 609 183.888 13.713 -6.521 92 1HG ARG 609 1HG ARG 609 183.016 15.295 -4.844 93 2HG ARG 609 2HG ARG 609 181.814 14.093 -4.372 94 1HD ARG 609 1HD ARG 609 184.069 12.620 -4.208 95 2HD ARG 609 2HD ARG 609 184.704 14.215 -3.806 96 HE ARG 609 HE ARG 609 182.355 13.713 -2.326 97 1HH1 ARG 609 1HH1 ARG 609 185.705 12.753 -2.508 98 2HH1 ARG 609 2HH1 ARG 609 185.813 12.359 -0.826 99 1HH2 ARG 609 1HH2 ARG 609 182.496 13.195 -0.112 100 2HH2 ARG 609 2HH2 ARG 609 183.992 12.610 0.535 101 H LEU 610 H LEU 610 180.455 12.238 -7.386 102 HA LEU 610 HA LEU 610 178.111 13.601 -6.242 103 1HB LEU 610 1HB LEU 610 178.460 11.768 -8.507 104 2HB LEU 610 2HB LEU 610 177.115 11.357 -7.460 105 HG LEU 610 HG LEU 610 176.475 12.786 -9.384 106 1HD1 LEU 610 1HD1 LEU 610 175.993 14.549 -7.075 107 2HD1 LEU 610 2HD1 LEU 610 175.547 12.857 -6.857 108 3HD1 LEU 610 3HD1 LEU 610 174.853 13.786 -8.185 109 1HD2 LEU 610 1HD2 LEU 610 177.090 15.186 -9.282 110 2HD2 LEU 610 2HD2 LEU 610 178.460 14.126 -9.615 111 3HD2 LEU 610 3HD2 LEU 610 178.239 14.802 -8.001 112 H ILE 611 H ILE 611 177.714 13.043 -4.218 113 HA ILE 611 HA ILE 611 178.449 10.350 -3.302 114 HB ILE 611 HB ILE 611 177.623 12.606 -1.493 115 1HG1 ILE 611 1HG1 ILE 611 179.445 13.522 -2.782 116 2HG1 ILE 611 2HG1 ILE 611 180.064 13.077 -1.195 117 1HG2 ILE 611 1HG2 ILE 611 178.291 11.282 0.200 118 2HG2 ILE 611 2HG2 ILE 611 179.661 10.638 -0.704 119 3HG2 ILE 611 3HG2 ILE 611 178.044 9.991 -0.975 120 1HD1 ILE 611 1HD1 ILE 611 181.566 11.722 -2.093 121 2HD1 ILE 611 2HD1 ILE 611 181.104 12.366 -3.668 122 3HD1 ILE 611 3HD1 ILE 611 180.342 10.898 -3.056 123 H GLY 612 H GLY 612 176.950 8.982 -2.402 124 1HA GLY 612 1HA GLY 612 174.176 9.951 -2.237 125 2HA GLY 612 2HA GLY 612 174.536 8.521 -3.190 126 H ARG 613 H ARG 613 172.717 8.483 -1.110 127 HA ARG 613 HA ARG 613 174.135 6.919 0.947 128 1HB ARG 613 1HB ARG 613 173.052 8.915 1.876 129 2HB ARG 613 2HB ARG 613 171.518 8.419 1.176 130 1HG ARG 613 1HG ARG 613 172.152 6.224 2.632 131 2HG ARG 613 2HG ARG 613 172.867 7.505 3.612 132 1HD ARG 613 1HD ARG 613 169.999 7.278 2.714 133 2HD ARG 613 2HD ARG 613 170.616 7.129 4.355 134 HE ARG 613 HE ARG 613 170.945 9.454 4.427 135 1HH1 ARG 613 1HH1 ARG 613 169.546 8.428 1.389 136 2HH1 ARG 613 2HH1 ARG 613 169.001 10.015 0.968 137 1HH2 ARG 613 1HH2 ARG 613 170.225 11.535 3.864 138 2HH2 ARG 613 2HH2 ARG 613 169.386 11.775 2.368 139 H VAL 614 H VAL 614 173.729 4.782 0.945 140 HA VAL 614 HA VAL 614 171.278 3.885 -0.420 141 HB VAL 614 HB VAL 614 173.877 2.363 -0.220 142 1HG1 VAL 614 1HG1 VAL 614 171.186 1.757 -1.290 143 2HG1 VAL 614 2HG1 VAL 614 172.394 0.686 -0.581 144 3HG1 VAL 614 3HG1 VAL 614 172.566 1.225 -2.251 145 1HG2 VAL 614 1HG2 VAL 614 173.492 4.569 -1.759 146 2HG2 VAL 614 2HG2 VAL 614 172.965 3.289 -2.852 147 3HG2 VAL 614 3HG2 VAL 614 174.587 3.247 -2.160 148 H ILE 615 H ILE 615 169.898 2.671 0.664 149 HA ILE 615 HA ILE 615 170.740 1.571 3.265 150 HB ILE 615 HB ILE 615 167.872 2.064 2.515 151 1HG1 ILE 615 1HG1 ILE 615 169.095 4.199 2.229 152 2HG1 ILE 615 2HG1 ILE 615 167.975 4.251 3.586 153 1HG2 ILE 615 1HG2 ILE 615 169.412 1.474 4.989 154 2HG2 ILE 615 2HG2 ILE 615 167.873 0.818 4.431 155 3HG2 ILE 615 3HG2 ILE 615 167.941 2.438 5.123 156 1HD1 ILE 615 1HD1 ILE 615 170.501 5.121 3.710 157 2HD1 ILE 615 2HD1 ILE 615 170.736 3.450 4.221 158 3HD1 ILE 615 3HD1 ILE 615 169.619 4.493 5.101 159 H LEU 616 H LEU 616 170.822 -0.585 3.388 160 HA LEU 616 HA LEU 616 169.207 -2.133 1.474 161 1HB LEU 616 1HB LEU 616 172.078 -2.240 2.116 162 2HB LEU 616 2HB LEU 616 171.281 -3.802 2.036 163 HG LEU 616 HG LEU 616 171.227 -1.743 -0.169 164 1HD1 LEU 616 1HD1 LEU 616 173.029 -2.688 -1.132 165 2HD1 LEU 616 2HD1 LEU 616 172.638 -4.301 -0.537 166 3HD1 LEU 616 3HD1 LEU 616 173.421 -3.132 0.529 167 1HD2 LEU 616 1HD2 LEU 616 170.615 -4.591 -0.628 168 2HD2 LEU 616 2HD2 LEU 616 169.917 -3.144 -1.354 169 3HD2 LEU 616 3HD2 LEU 616 169.407 -3.655 0.254 170 H ASN 617 H ASN 617 168.327 -4.073 2.152 171 HA ASN 617 HA ASN 617 168.373 -4.534 5.063 172 1HB ASN 617 1HB ASN 617 166.187 -3.751 3.604 173 2HB ASN 617 2HB ASN 617 166.006 -5.503 3.605 174 1HD2 ASN 617 1HD2 ASN 617 165.357 -6.515 5.420 175 2HD2 ASN 617 2HD2 ASN 617 164.991 -5.713 6.905 176 H LYS 618 H LYS 618 169.100 -6.467 5.666 177 HA LYS 618 HA LYS 618 169.139 -8.633 3.668 178 1HB LYS 618 1HB LYS 618 171.126 -9.495 4.872 179 2HB LYS 618 2HB LYS 618 171.387 -7.889 4.208 180 1HG LYS 618 1HG LYS 618 170.657 -7.088 6.564 181 2HG LYS 618 2HG LYS 618 171.070 -8.729 7.048 182 1HD LYS 618 1HD LYS 618 172.882 -6.685 5.773 183 2HD LYS 618 2HD LYS 618 172.970 -7.307 7.418 184 1HE LYS 618 1HE LYS 618 173.805 -9.355 6.740 185 2HE LYS 618 2HE LYS 618 173.171 -9.187 5.105 186 1HZ LYS 618 1HZ LYS 618 175.132 -8.416 4.476 187 2HZ LYS 618 2HZ LYS 618 175.726 -8.543 6.052 188 3HZ LYS 618 3HZ LYS 618 174.988 -7.111 5.543 189 H ARG 619 H ARG 619 166.946 -8.049 5.443 190 HA ARG 619 HA ARG 619 167.089 -10.202 7.423 191 1HB ARG 619 1HB ARG 619 165.732 -7.651 7.281 192 2HB ARG 619 2HB ARG 619 164.590 -8.945 7.617 193 1HG ARG 619 1HG ARG 619 167.121 -8.476 9.176 194 2HG ARG 619 2HG ARG 619 165.533 -7.862 9.640 195 1HD ARG 619 1HD ARG 619 165.524 -9.796 10.838 196 2HD ARG 619 2HD ARG 619 164.879 -10.415 9.318 197 HE ARG 619 HE ARG 619 166.808 -11.616 9.022 198 1HH1 ARG 619 1HH1 ARG 619 167.310 -9.263 11.550 199 2HH1 ARG 619 2HH1 ARG 619 168.846 -9.910 12.018 200 1HH2 ARG 619 1HH2 ARG 619 168.828 -12.467 9.637 201 2HH2 ARG 619 2HH2 ARG 619 169.709 -11.729 10.932 202 H THR 620 H THR 620 164.755 -8.981 5.015 203 HA THR 620 HA THR 620 163.420 -11.545 4.932 204 HB THR 620 HB THR 620 162.040 -9.575 4.806 205 HG1 THR 620 HG1 THR 620 161.210 -11.206 3.576 206 1HG2 THR 620 1HG2 THR 620 163.478 -7.919 3.899 207 2HG2 THR 620 2HG2 THR 620 162.118 -8.107 2.794 208 3HG2 THR 620 3HG2 THR 620 163.679 -8.827 2.402 209 H THR 621 H THR 621 162.881 -12.484 2.743 210 HA THR 621 HA THR 621 165.371 -12.819 1.267 211 HB THR 621 HB THR 621 162.972 -14.361 0.478 212 HG1 THR 621 HG1 THR 621 162.592 -14.464 2.629 213 1HG2 THR 621 1HG2 THR 621 164.500 -15.751 -0.293 214 2HG2 THR 621 2HG2 THR 621 165.173 -15.951 1.326 215 3HG2 THR 621 3HG2 THR 621 165.760 -14.657 0.279 216 H MET 622 H MET 622 165.158 -13.089 -1.159 217 HA MET 622 HA MET 622 164.044 -10.687 -2.234 218 1HB MET 622 1HB MET 622 166.023 -12.554 -2.995 219 2HB MET 622 2HB MET 622 164.833 -12.532 -4.289 220 1HG MET 622 1HG MET 622 166.585 -10.939 -4.736 221 2HG MET 622 2HG MET 622 165.061 -10.101 -4.448 222 1HE MET 622 1HE MET 622 168.832 -10.419 -2.155 223 2HE MET 622 2HE MET 622 167.825 -11.763 -2.693 224 3HE MET 622 3HE MET 622 167.631 -11.112 -1.065 225 HA PRO 623 HA PRO 623 159.952 -12.319 -3.024 226 1HB PRO 623 1HB PRO 623 159.911 -10.103 -5.005 227 2HB PRO 623 2HB PRO 623 158.764 -10.481 -3.716 228 1HG PRO 623 1HG PRO 623 160.459 -8.438 -3.477 229 2HG PRO 623 2HG PRO 623 160.058 -9.462 -2.085 230 1HD PRO 623 1HD PRO 623 162.522 -9.438 -3.776 231 2HD PRO 623 2HD PRO 623 162.356 -9.687 -2.027 232 H LYS 624 H LYS 624 162.382 -11.660 -5.449 233 HA LYS 624 HA LYS 624 160.975 -13.027 -7.559 234 1HB LYS 624 1HB LYS 624 163.067 -12.700 -8.839 235 2HB LYS 624 2HB LYS 624 162.455 -11.206 -8.142 236 1HG LYS 624 1HG LYS 624 164.165 -12.152 -6.201 237 2HG LYS 624 2HG LYS 624 164.981 -12.570 -7.708 238 1HD LYS 624 1HD LYS 624 165.680 -10.370 -6.979 239 2HD LYS 624 2HD LYS 624 164.727 -10.234 -8.460 240 1HE LYS 624 1HE LYS 624 162.857 -9.408 -7.311 241 2HE LYS 624 2HE LYS 624 163.473 -9.943 -5.748 242 1HZ LYS 624 1HZ LYS 624 163.623 -7.479 -6.289 243 2HZ LYS 624 2HZ LYS 624 164.880 -7.890 -7.343 244 3HZ LYS 624 3HZ LYS 624 165.022 -8.220 -5.690 245 H GLU 625 H GLU 625 163.536 -13.778 -5.264 246 HA GLU 625 HA GLU 625 163.101 -16.591 -5.641 247 1HB GLU 625 1HB GLU 625 165.756 -16.775 -5.973 248 2HB GLU 625 2HB GLU 625 164.625 -16.743 -7.317 249 1HG GLU 625 1HG GLU 625 165.206 -14.626 -7.941 250 2HG GLU 625 2HG GLU 625 165.688 -14.157 -6.310 251 H SER 626 H SER 626 166.084 -14.993 -4.589 252 HA SER 626 HA SER 626 165.453 -14.922 -1.840 253 1HB SER 626 1HB SER 626 167.254 -16.807 -1.337 254 2HB SER 626 2HB SER 626 165.553 -17.208 -1.574 255 HG SER 626 HG SER 626 167.601 -18.113 -2.935 256 H GLY 627 H GLY 627 167.749 -15.039 -0.561 257 1HA GLY 627 1HA GLY 627 169.946 -13.954 -2.081 258 2HA GLY 627 2HA GLY 627 169.124 -12.758 -1.090 259 H ALA 628 H ALA 628 171.870 -13.814 -0.927 260 HA ALA 628 HA ALA 628 172.016 -15.491 1.383 261 1HB ALA 628 1HB ALA 628 173.815 -15.636 -0.146 262 2HB ALA 628 2HB ALA 628 174.459 -14.870 1.305 263 3HB ALA 628 3HB ALA 628 174.075 -13.892 -0.111 264 H LEU 629 H LEU 629 172.960 -12.106 0.853 265 HA LEU 629 HA LEU 629 172.397 -11.600 3.696 266 1HB LEU 629 1HB LEU 629 174.267 -9.794 2.266 267 2HB LEU 629 2HB LEU 629 174.246 -10.283 3.942 268 HG LEU 629 HG LEU 629 176.222 -11.145 2.972 269 1HD1 LEU 629 1HD1 LEU 629 174.706 -13.651 2.844 270 2HD1 LEU 629 2HD1 LEU 629 174.511 -12.699 4.316 271 3HD1 LEU 629 3HD1 LEU 629 176.119 -13.214 3.802 272 1HD2 LEU 629 1HD2 LEU 629 175.409 -12.991 1.025 273 2HD2 LEU 629 2HD2 LEU 629 176.360 -11.525 0.801 274 3HD2 LEU 629 3HD2 LEU 629 174.607 -11.469 0.639 275 H LEU 630 H LEU 630 173.137 -9.271 1.138 276 HA LEU 630 HA LEU 630 170.374 -8.286 1.322 277 1HB LEU 630 1HB LEU 630 171.682 -6.004 0.726 278 2HB LEU 630 2HB LEU 630 171.241 -6.483 2.353 279 HG LEU 630 HG LEU 630 173.849 -7.442 1.398 280 1HD1 LEU 630 1HD1 LEU 630 174.894 -5.241 2.016 281 2HD1 LEU 630 2HD1 LEU 630 173.281 -4.537 1.899 282 3HD1 LEU 630 3HD1 LEU 630 174.031 -5.267 0.478 283 1HD2 LEU 630 1HD2 LEU 630 173.397 -7.989 3.590 284 2HD2 LEU 630 2HD2 LEU 630 172.656 -6.425 3.932 285 3HD2 LEU 630 3HD2 LEU 630 174.406 -6.551 3.742 286 H GLY 631 H GLY 631 173.380 -7.864 -0.628 287 1HA GLY 631 1HA GLY 631 172.506 -8.999 -2.952 288 2HA GLY 631 2HA GLY 631 171.833 -7.382 -3.005 289 H LEU 632 H LEU 632 174.970 -7.802 -1.485 290 HA LEU 632 HA LEU 632 176.441 -7.342 -3.911 291 1HB LEU 632 1HB LEU 632 176.403 -5.131 -3.964 292 2HB LEU 632 2HB LEU 632 175.329 -5.116 -2.584 293 HG LEU 632 HG LEU 632 178.345 -5.069 -2.408 294 1HD1 LEU 632 1HD1 LEU 632 177.998 -2.708 -1.745 295 2HD1 LEU 632 2HD1 LEU 632 176.300 -2.872 -2.195 296 3HD1 LEU 632 3HD1 LEU 632 177.556 -3.037 -3.421 297 1HD2 LEU 632 1HD2 LEU 632 177.373 -4.073 -0.075 298 2HD2 LEU 632 2HD2 LEU 632 177.889 -5.741 -0.313 299 3HD2 LEU 632 3HD2 LEU 632 176.181 -5.320 -0.440 300 H LYS 633 H LYS 633 178.743 -7.305 -3.609 301 HA LYS 633 HA LYS 633 179.560 -8.302 -0.953 302 1HB LYS 633 1HB LYS 633 179.791 -9.577 -3.443 303 2HB LYS 633 2HB LYS 633 181.408 -8.998 -3.073 304 1HG LYS 633 1HG LYS 633 180.044 -10.309 -0.837 305 2HG LYS 633 2HG LYS 633 180.376 -11.352 -2.221 306 1HD LYS 633 1HD LYS 633 182.721 -10.795 -2.137 307 2HD LYS 633 2HD LYS 633 182.430 -9.613 -0.860 308 1HE LYS 633 1HE LYS 633 183.116 -11.370 0.418 309 2HE LYS 633 2HE LYS 633 181.390 -11.723 0.353 310 1HZ LYS 633 1HZ LYS 633 183.229 -13.514 -0.234 311 2HZ LYS 633 2HZ LYS 633 183.046 -12.837 -1.772 312 3HZ LYS 633 3HZ LYS 633 181.710 -13.505 -0.978 313 H VAL 634 H VAL 634 181.161 -7.222 0.069 314 HA VAL 634 HA VAL 634 182.625 -5.200 -1.496 315 HB VAL 634 HB VAL 634 181.270 -4.924 1.162 316 1HG1 VAL 634 1HG1 VAL 634 183.600 -3.259 0.204 317 2HG1 VAL 634 2HG1 VAL 634 183.562 -4.287 1.635 318 3HG1 VAL 634 3HG1 VAL 634 182.549 -2.844 1.559 319 1HG2 VAL 634 1HG2 VAL 634 179.900 -3.894 -0.288 320 2HG2 VAL 634 2HG2 VAL 634 181.172 -3.683 -1.496 321 3HG2 VAL 634 3HG2 VAL 634 181.050 -2.564 -0.139 322 H VAL 635 H VAL 635 184.666 -4.574 -0.694 323 HA VAL 635 HA VAL 635 185.993 -6.706 0.836 324 HB VAL 635 HB VAL 635 186.693 -5.296 -1.627 325 1HG1 VAL 635 1HG1 VAL 635 188.249 -4.113 -0.186 326 2HG1 VAL 635 2HG1 VAL 635 189.104 -5.237 -1.239 327 3HG1 VAL 635 3HG1 VAL 635 188.843 -5.645 0.456 328 1HG2 VAL 635 1HG2 VAL 635 187.735 -7.317 -2.147 329 2HG2 VAL 635 2HG2 VAL 635 186.346 -7.769 -1.155 330 3HG2 VAL 635 3HG2 VAL 635 187.963 -7.738 -0.449 331 H GLY 636 H GLY 636 187.862 -6.015 2.150 332 1HA GLY 636 1HA GLY 636 187.524 -3.265 3.176 333 2HA GLY 636 2HA GLY 636 187.681 -4.639 4.259 334 H GLY 637 H GLY 637 189.347 -2.208 3.936 335 1HA GLY 637 1HA GLY 637 191.598 -1.806 4.279 336 2HA GLY 637 2HA GLY 637 191.895 -3.527 4.088 337 H LYS 638 H LYS 638 190.813 -0.786 2.076 338 HA LYS 638 HA LYS 638 192.673 -1.732 -0.007 339 1HB LYS 638 1HB LYS 638 189.934 -0.501 -0.267 340 2HB LYS 638 2HB LYS 638 191.067 -0.560 -1.609 341 1HG LYS 638 1HG LYS 638 190.087 -2.975 -0.104 342 2HG LYS 638 2HG LYS 638 189.403 -2.390 -1.622 343 1HD LYS 638 1HD LYS 638 191.065 -3.275 -2.835 344 2HD LYS 638 2HD LYS 638 192.302 -2.701 -1.714 345 1HE LYS 638 1HE LYS 638 191.110 -4.680 -0.264 346 2HE LYS 638 2HE LYS 638 190.988 -5.316 -1.904 347 1HZ LYS 638 1HZ LYS 638 193.527 -4.290 -0.775 348 2HZ LYS 638 2HZ LYS 638 193.312 -5.225 -2.167 349 3HZ LYS 638 3HZ LYS 638 193.059 -5.911 -0.643 350 H MET 639 H MET 639 194.349 -0.407 0.774 351 HA MET 639 HA MET 639 194.148 2.326 1.329 352 1HB MET 639 1HB MET 639 196.091 1.035 1.992 353 2HB MET 639 2HB MET 639 196.500 0.724 0.311 354 1HG MET 639 1HG MET 639 197.902 2.456 1.372 355 2HG MET 639 2HG MET 639 197.037 3.024 -0.055 356 1HE MET 639 1HE MET 639 195.770 2.974 4.012 357 2HE MET 639 2HE MET 639 196.826 4.372 4.215 358 3HE MET 639 3HE MET 639 197.476 2.862 3.577 359 H THR 640 H THR 640 193.531 3.906 0.023 360 HA THR 640 HA THR 640 194.007 3.643 -2.862 361 HB THR 640 HB THR 640 192.359 5.651 -2.893 362 HG1 THR 640 HG1 THR 640 190.978 5.650 -1.070 363 1HG2 THR 640 1HG2 THR 640 190.960 3.255 -1.862 364 2HG2 THR 640 2HG2 THR 640 191.913 3.090 -3.338 365 3HG2 THR 640 3HG2 THR 640 190.602 4.268 -3.261 366 H ASP 641 H ASP 641 194.040 6.086 -3.825 367 HA ASP 641 HA ASP 641 196.608 7.064 -3.207 368 1HB ASP 641 1HB ASP 641 194.383 7.879 -4.991 369 2HB ASP 641 2HB ASP 641 195.554 9.127 -4.576 370 H LEU 642 H LEU 642 193.597 7.623 -1.710 371 HA LEU 642 HA LEU 642 194.006 10.281 -0.808 372 1HB LEU 642 1HB LEU 642 192.275 8.036 0.216 373 2HB LEU 642 2HB LEU 642 192.273 9.639 0.924 374 HG LEU 642 HG LEU 642 190.406 9.514 -0.545 375 1HD1 LEU 642 1HD1 LEU 642 191.768 11.598 -0.593 376 2HD1 LEU 642 2HD1 LEU 642 190.825 11.316 -2.056 377 3HD1 LEU 642 3HD1 LEU 642 192.559 10.989 -2.047 378 1HD2 LEU 642 1HD2 LEU 642 192.084 8.922 -2.933 379 2HD2 LEU 642 2HD2 LEU 642 190.374 8.597 -2.645 380 3HD2 LEU 642 3HD2 LEU 642 191.604 7.593 -1.876 381 H GLY 643 H GLY 643 195.146 7.186 0.265 382 1HA GLY 643 1HA GLY 643 197.064 6.985 1.658 383 2HA GLY 643 2HA GLY 643 196.667 8.538 2.379 384 H ARG 644 H ARG 644 193.920 6.609 2.072 385 HA ARG 644 HA ARG 644 194.254 5.503 4.774 386 1HB ARG 644 1HB ARG 644 191.863 7.023 3.723 387 2HB ARG 644 2HB ARG 644 191.867 6.106 5.224 388 1HG ARG 644 1HG ARG 644 193.622 7.552 6.110 389 2HG ARG 644 2HG ARG 644 193.629 8.468 4.601 390 1HD ARG 644 1HD ARG 644 191.307 8.190 6.506 391 2HD ARG 644 2HD ARG 644 192.329 9.614 6.315 392 HE ARG 644 HE ARG 644 191.195 8.909 3.830 393 1HH1 ARG 644 1HH1 ARG 644 190.324 10.293 6.914 394 2HH1 ARG 644 2HH1 ARG 644 189.015 11.224 6.267 395 1HH2 ARG 644 1HH2 ARG 644 189.474 10.133 2.979 396 2HH2 ARG 644 2HH2 ARG 644 188.532 11.133 4.033 397 H LEU 645 H LEU 645 192.467 3.888 5.273 398 HA LEU 645 HA LEU 645 192.231 2.100 2.977 399 1HB LEU 645 1HB LEU 645 191.754 1.656 5.924 400 2HB LEU 645 2HB LEU 645 191.539 0.425 4.693 401 HG LEU 645 HG LEU 645 194.138 1.779 5.418 402 1HD1 LEU 645 1HD1 LEU 645 193.690 -1.144 5.642 403 2HD1 LEU 645 2HD1 LEU 645 192.965 -0.104 6.869 404 3HD1 LEU 645 3HD1 LEU 645 194.708 -0.074 6.605 405 1HD2 LEU 645 1HD2 LEU 645 194.113 1.312 3.058 406 2HD2 LEU 645 2HD2 LEU 645 193.514 -0.322 3.349 407 3HD2 LEU 645 3HD2 LEU 645 195.139 0.127 3.867 408 H GLY 646 H GLY 646 190.253 1.097 2.398 409 1HA GLY 646 1HA GLY 646 187.795 2.145 3.562 410 2HA GLY 646 2HA GLY 646 188.097 2.575 1.885 411 H ALA 647 H ALA 647 186.071 1.444 1.492 412 HA ALA 647 HA ALA 647 186.497 -1.462 1.254 413 1HB ALA 647 1HB ALA 647 184.246 0.018 2.434 414 2HB ALA 647 2HB ALA 647 184.832 -1.613 2.762 415 3HB ALA 647 3HB ALA 647 183.803 -1.310 1.362 416 H PHE 648 H PHE 648 185.722 -2.466 -0.599 417 HA PHE 648 HA PHE 648 184.559 -0.752 -2.676 418 1HB PHE 648 1HB PHE 648 187.088 -2.369 -2.881 419 2HB PHE 648 2HB PHE 648 186.128 -2.005 -4.311 420 HD1 PHE 648 HD1 PHE 648 188.058 -0.499 -1.548 421 HD2 PHE 648 HD2 PHE 648 186.209 0.115 -5.331 422 HE1 PHE 648 HE1 PHE 648 189.166 1.691 -1.730 423 HE2 PHE 648 HE2 PHE 648 187.315 2.306 -5.521 424 HZ PHE 648 HZ PHE 648 188.796 3.095 -3.719 425 H ILE 649 H ILE 649 183.091 -1.758 -3.991 426 HA ILE 649 HA ILE 649 182.122 -4.316 -3.126 427 HB ILE 649 HB ILE 649 181.228 -2.563 -5.420 428 1HG1 ILE 649 1HG1 ILE 649 179.737 -3.018 -2.849 429 2HG1 ILE 649 2HG1 ILE 649 181.007 -1.799 -2.941 430 1HG2 ILE 649 1HG2 ILE 649 179.885 -4.982 -4.218 431 2HG2 ILE 649 2HG2 ILE 649 180.630 -4.892 -5.814 432 3HG2 ILE 649 3HG2 ILE 649 179.199 -3.927 -5.453 433 1HD1 ILE 649 1HD1 ILE 649 178.476 -1.222 -3.399 434 2HD1 ILE 649 2HD1 ILE 649 178.897 -1.762 -5.025 435 3HD1 ILE 649 3HD1 ILE 649 179.783 -0.431 -4.280 436 H THR 650 H THR 650 182.858 -6.206 -3.819 437 HA THR 650 HA THR 650 184.552 -6.351 -6.151 438 HB THR 650 HB THR 650 185.169 -8.487 -5.435 439 HG1 THR 650 HG1 THR 650 182.581 -8.600 -4.446 440 1HG2 THR 650 1HG2 THR 650 184.593 -8.023 -2.692 441 2HG2 THR 650 2HG2 THR 650 185.022 -6.491 -3.456 442 3HG2 THR 650 3HG2 THR 650 186.124 -7.864 -3.551 443 H LYS 651 H LYS 651 181.266 -7.234 -5.305 444 HA LYS 651 HA LYS 651 180.597 -7.566 -8.060 445 1HB LYS 651 1HB LYS 651 180.000 -9.882 -8.083 446 2HB LYS 651 2HB LYS 651 181.665 -9.763 -7.532 447 1HG LYS 651 1HG LYS 651 181.063 -10.236 -5.298 448 2HG LYS 651 2HG LYS 651 179.347 -9.999 -5.636 449 1HD LYS 651 1HD LYS 651 180.904 -12.118 -7.070 450 2HD LYS 651 2HD LYS 651 180.276 -12.411 -5.447 451 1HE LYS 651 1HE LYS 651 178.059 -11.454 -6.547 452 2HE LYS 651 2HE LYS 651 178.828 -12.051 -8.017 453 1HZ LYS 651 1HZ LYS 651 178.821 -13.873 -5.754 454 2HZ LYS 651 2HZ LYS 651 178.558 -14.184 -7.396 455 3HZ LYS 651 3HZ LYS 651 177.309 -13.556 -6.444 456 H VAL 652 H VAL 652 178.357 -7.821 -8.441 457 HA VAL 652 HA VAL 652 176.633 -7.427 -6.083 458 HB VAL 652 HB VAL 652 175.307 -6.072 -8.099 459 1HG1 VAL 652 1HG1 VAL 652 175.535 -5.515 -5.679 460 2HG1 VAL 652 2HG1 VAL 652 175.634 -4.131 -6.766 461 3HG1 VAL 652 3HG1 VAL 652 177.102 -4.796 -6.049 462 1HG2 VAL 652 1HG2 VAL 652 178.055 -4.906 -8.142 463 2HG2 VAL 652 2HG2 VAL 652 176.721 -4.685 -9.274 464 3HG2 VAL 652 3HG2 VAL 652 177.632 -6.195 -9.270 465 H LYS 653 H LYS 653 174.816 -8.623 -6.040 466 HA LYS 653 HA LYS 653 174.418 -10.563 -8.145 467 1HB LYS 653 1HB LYS 653 173.802 -10.372 -5.360 468 2HB LYS 653 2HB LYS 653 172.310 -10.677 -6.240 469 1HG LYS 653 1HG LYS 653 173.963 -12.468 -7.413 470 2HG LYS 653 2HG LYS 653 174.625 -12.419 -5.778 471 1HD LYS 653 1HD LYS 653 172.156 -12.665 -5.035 472 2HD LYS 653 2HD LYS 653 171.885 -13.217 -6.688 473 1HE LYS 653 1HE LYS 653 172.315 -15.214 -5.655 474 2HE LYS 653 2HE LYS 653 173.943 -14.764 -6.163 475 1HZ LYS 653 1HZ LYS 653 173.886 -15.522 -3.863 476 2HZ LYS 653 2HZ LYS 653 172.795 -14.291 -3.464 477 3HZ LYS 653 3HZ LYS 653 174.366 -13.902 -3.955 478 H LYS 654 H LYS 654 173.439 -9.849 -9.937 479 HA LYS 654 HA LYS 654 171.705 -7.674 -10.127 480 1HB LYS 654 1HB LYS 654 172.949 -9.285 -11.921 481 2HB LYS 654 2HB LYS 654 171.289 -9.843 -12.087 482 1HG LYS 654 1HG LYS 654 170.664 -7.392 -12.368 483 2HG LYS 654 2HG LYS 654 172.391 -7.097 -12.574 484 1HD LYS 654 1HD LYS 654 171.657 -7.376 -14.758 485 2HD LYS 654 2HD LYS 654 172.255 -8.984 -14.343 486 1HE LYS 654 1HE LYS 654 170.197 -9.908 -14.405 487 2HE LYS 654 2HE LYS 654 169.424 -8.484 -13.710 488 1HZ LYS 654 1HZ LYS 654 170.463 -8.256 -16.430 489 2HZ LYS 654 2HZ LYS 654 169.084 -7.564 -15.738 490 3HZ LYS 654 3HZ LYS 654 169.068 -9.187 -16.212 491 H GLY 655 H GLY 655 169.893 -7.539 -8.940 492 1HA GLY 655 1HA GLY 655 167.489 -8.208 -9.232 493 2HA GLY 655 2HA GLY 655 168.057 -9.854 -8.991 494 H SER 656 H SER 656 170.017 -8.804 -6.938 495 HA SER 656 HA SER 656 168.344 -9.216 -4.674 496 1HB SER 656 1HB SER 656 171.235 -8.344 -4.872 497 2HB SER 656 2HB SER 656 170.421 -8.769 -3.367 498 HG SER 656 HG SER 656 170.457 -10.554 -5.549 499 H LEU 657 H LEU 657 168.625 -7.666 -2.727 500 HA LEU 657 HA LEU 657 167.233 -5.324 -3.250 501 1HB LEU 657 1HB LEU 657 169.036 -5.825 -0.888 502 2HB LEU 657 2HB LEU 657 167.706 -4.687 -0.964 503 HG LEU 657 HG LEU 657 166.689 -7.277 -1.596 504 1HD1 LEU 657 1HD1 LEU 657 167.183 -8.080 0.886 505 2HD1 LEU 657 2HD1 LEU 657 168.684 -7.202 0.595 506 3HD1 LEU 657 3HD1 LEU 657 168.217 -8.527 -0.471 507 1HD2 LEU 657 1HD2 LEU 657 165.665 -6.722 0.819 508 2HD2 LEU 657 2HD2 LEU 657 165.111 -5.950 -0.667 509 3HD2 LEU 657 3HD2 LEU 657 166.265 -5.123 0.378 510 H ALA 658 H ALA 658 170.673 -5.688 -2.482 511 HA ALA 658 HA ALA 658 171.512 -3.095 -2.519 512 1HB ALA 658 1HB ALA 658 172.780 -5.440 -2.322 513 2HB ALA 658 2HB ALA 658 173.617 -3.911 -2.582 514 3HB ALA 658 3HB ALA 658 173.282 -4.976 -3.947 515 H ASP 659 H ASP 659 170.693 -5.071 -5.293 516 HA ASP 659 HA ASP 659 171.714 -3.141 -7.181 517 1HB ASP 659 1HB ASP 659 171.690 -5.640 -7.563 518 2HB ASP 659 2HB ASP 659 169.946 -5.510 -7.776 519 H VAL 660 H VAL 660 168.505 -4.342 -6.276 520 HA VAL 660 HA VAL 660 167.118 -2.524 -7.964 521 HB VAL 660 HB VAL 660 165.138 -3.154 -6.361 522 1HG1 VAL 660 1HG1 VAL 660 164.791 -5.205 -7.661 523 2HG1 VAL 660 2HG1 VAL 660 166.468 -5.137 -8.201 524 3HG1 VAL 660 3HG1 VAL 660 165.338 -3.868 -8.671 525 1HG2 VAL 660 1HG2 VAL 660 165.434 -4.766 -4.829 526 2HG2 VAL 660 2HG2 VAL 660 167.138 -4.320 -4.919 527 3HG2 VAL 660 3HG2 VAL 660 166.533 -5.681 -5.863 528 H VAL 661 H VAL 661 167.617 -2.541 -4.419 529 HA VAL 661 HA VAL 661 166.440 0.113 -4.258 530 HB VAL 661 HB VAL 661 165.878 -1.529 -2.523 531 1HG1 VAL 661 1HG1 VAL 661 167.983 -1.624 -0.790 532 2HG1 VAL 661 2HG1 VAL 661 168.789 -1.754 -2.352 533 3HG1 VAL 661 3HG1 VAL 661 167.532 -2.908 -1.910 534 1HG2 VAL 661 1HG2 VAL 661 166.159 -0.078 -0.613 535 2HG2 VAL 661 2HG2 VAL 661 165.833 0.895 -2.048 536 3HG2 VAL 661 3HG2 VAL 661 167.476 0.777 -1.416 537 H GLY 662 H GLY 662 169.594 -1.371 -4.216 538 1HA GLY 662 1HA GLY 662 170.858 1.098 -3.295 539 2HA GLY 662 2HA GLY 662 171.669 -0.430 -3.604 540 H HIS 663 H HIS 663 171.101 -1.056 -6.115 541 HA HIS 663 HA HIS 663 171.594 -0.660 -8.292 542 1HB HIS 663 1HB HIS 663 169.887 1.269 -7.762 543 2HB HIS 663 2HB HIS 663 171.307 2.296 -7.928 544 HD1 HIS 663 HD1 HIS 663 172.252 2.636 -10.282 545 HD2 HIS 663 HD2 HIS 663 169.031 0.013 -10.145 546 HE1 HIS 663 HE1 HIS 663 171.575 2.277 -12.677 547 HE2 HIS 663 HE2 HIS 663 169.684 0.616 -12.575 548 H LEU 664 H LEU 664 173.798 -1.222 -7.206 549 HA LEU 664 HA LEU 664 175.682 0.835 -8.108 550 1HB LEU 664 1HB LEU 664 177.202 -0.176 -6.202 551 2HB LEU 664 2HB LEU 664 176.119 1.166 -5.902 552 HG LEU 664 HG LEU 664 176.113 -0.554 -4.116 553 1HD1 LEU 664 1HD1 LEU 664 173.392 -0.664 -5.280 554 2HD1 LEU 664 2HD1 LEU 664 174.086 0.926 -4.957 555 3HD1 LEU 664 3HD1 LEU 664 173.914 -0.246 -3.649 556 1HD2 LEU 664 1HD2 LEU 664 174.473 -2.386 -5.740 557 2HD2 LEU 664 2HD2 LEU 664 175.621 -2.726 -4.444 558 3HD2 LEU 664 3HD2 LEU 664 176.206 -2.381 -6.074 559 H ARG 665 H ARG 665 177.992 -0.273 -8.183 560 HA ARG 665 HA ARG 665 177.727 -3.018 -9.163 561 1HB ARG 665 1HB ARG 665 178.654 -0.644 -10.740 562 2HB ARG 665 2HB ARG 665 179.294 -2.242 -11.097 563 1HG ARG 665 1HG ARG 665 177.350 -2.977 -11.989 564 2HG ARG 665 2HG ARG 665 176.355 -2.000 -10.907 565 1HD ARG 665 1HD ARG 665 176.151 -0.407 -12.443 566 2HD ARG 665 2HD ARG 665 177.901 -0.301 -12.632 567 HE ARG 665 HE ARG 665 176.065 -1.587 -14.388 568 1HH1 ARG 665 1HH1 ARG 665 179.322 -1.758 -13.147 569 2HH1 ARG 665 2HH1 ARG 665 179.941 -2.586 -14.536 570 1HH2 ARG 665 1HH2 ARG 665 176.878 -2.677 -16.216 571 2HH2 ARG 665 2HH2 ARG 665 178.555 -3.108 -16.279 572 H ALA 666 H ALA 666 179.804 -4.099 -9.485 573 HA ALA 666 HA ALA 666 181.486 -3.852 -7.279 574 1HB ALA 666 1HB ALA 666 182.358 -5.072 -9.880 575 2HB ALA 666 2HB ALA 666 181.170 -5.848 -8.830 576 3HB ALA 666 3HB ALA 666 182.804 -5.538 -8.239 577 H GLY 667 H GLY 667 183.030 -2.448 -6.799 578 1HA GLY 667 1HA GLY 667 185.193 -1.508 -7.678 579 2HA GLY 667 2HA GLY 667 184.221 -0.881 -9.002 580 H ASP 668 H ASP 668 182.003 -0.403 -6.978 581 HA ASP 668 HA ASP 668 182.569 2.326 -6.486 582 1HB ASP 668 1HB ASP 668 180.351 0.464 -5.974 583 2HB ASP 668 2HB ASP 668 180.494 1.755 -4.786 584 H GLU 669 H GLU 669 183.103 3.408 -4.606 585 HA GLU 669 HA GLU 669 184.314 1.727 -2.532 586 1HB GLU 669 1HB GLU 669 185.637 3.522 -3.807 587 2HB GLU 669 2HB GLU 669 184.734 4.689 -2.851 588 1HG GLU 669 1HG GLU 669 185.624 3.763 -0.808 589 2HG GLU 669 2HG GLU 669 186.449 2.494 -1.711 590 H VAL 670 H VAL 670 183.085 1.382 -0.810 591 HA VAL 670 HA VAL 670 181.073 3.344 -0.039 592 HB VAL 670 HB VAL 670 181.609 0.529 0.913 593 1HG1 VAL 670 1HG1 VAL 670 180.804 1.399 2.877 594 2HG1 VAL 670 2HG1 VAL 670 179.292 0.985 2.073 595 3HG1 VAL 670 3HG1 VAL 670 179.864 2.652 2.069 596 1HG2 VAL 670 1HG2 VAL 670 180.459 1.042 -1.325 597 2HG2 VAL 670 2HG2 VAL 670 179.096 1.580 -0.340 598 3HG2 VAL 670 3HG2 VAL 670 179.668 -0.086 -0.224 599 H LEU 671 H LEU 671 181.876 4.976 1.130 600 HA LEU 671 HA LEU 671 184.039 4.552 3.006 601 1HB LEU 671 1HB LEU 671 182.466 7.089 2.634 602 2HB LEU 671 2HB LEU 671 184.087 6.910 3.275 603 HG LEU 671 HG LEU 671 184.545 7.730 1.184 604 1HD1 LEU 671 1HD1 LEU 671 185.708 6.107 0.116 605 2HD1 LEU 671 2HD1 LEU 671 184.359 4.972 0.130 606 3HD1 LEU 671 3HD1 LEU 671 185.323 5.215 1.586 607 1HD2 LEU 671 1HD2 LEU 671 181.950 7.296 0.640 608 2HD2 LEU 671 2HD2 LEU 671 182.689 6.075 -0.396 609 3HD2 LEU 671 3HD2 LEU 671 183.136 7.771 -0.575 610 H GLU 672 H GLU 672 180.857 3.902 3.202 611 HA GLU 672 HA GLU 672 180.874 4.145 6.103 612 1HB GLU 672 1HB GLU 672 178.814 5.424 4.317 613 2HB GLU 672 2HB GLU 672 178.516 5.082 6.016 614 1HG GLU 672 1HG GLU 672 180.542 6.469 6.542 615 2HG GLU 672 2HG GLU 672 180.556 6.951 4.845 616 H TRP 673 H TRP 673 180.126 2.329 6.989 617 HA TRP 673 HA TRP 673 178.158 0.729 5.499 618 1HB TRP 673 1HB TRP 673 180.549 -0.177 5.373 619 2HB TRP 673 2HB TRP 673 180.396 -0.515 7.096 620 HD1 TRP 673 HD1 TRP 673 178.447 -2.330 7.792 621 HE1 TRP 673 HE1 TRP 673 177.548 -4.354 6.481 622 HE3 TRP 673 HE3 TRP 673 180.059 -1.049 3.113 623 HZ2 TRP 673 HZ2 TRP 673 177.533 -5.284 3.813 624 HZ3 TRP 673 HZ3 TRP 673 179.558 -2.560 1.240 625 HH2 TRP 673 HH2 TRP 673 178.321 -4.640 1.587 626 H ASN 674 H ASN 674 176.386 0.426 6.677 627 HA ASN 674 HA ASN 674 174.967 0.219 8.441 628 1HB ASN 674 1HB ASN 674 176.426 -1.729 8.953 629 2HB ASN 674 2HB ASN 674 177.425 -0.683 9.957 630 1HD2 ASN 674 1HD2 ASN 674 174.013 -1.561 9.532 631 2HD2 ASN 674 2HD2 ASN 674 173.650 -1.650 11.218 632 H GLY 675 H GLY 675 176.105 2.751 7.949 633 1HA GLY 675 1HA GLY 675 176.054 4.838 8.907 634 2HA GLY 675 2HA GLY 675 175.395 4.086 10.349 635 H LYS 676 H LYS 676 178.374 2.742 9.357 636 HA LYS 676 HA LYS 676 179.743 4.287 11.457 637 1HB LYS 676 1HB LYS 676 180.340 2.313 12.308 638 2HB LYS 676 2HB LYS 676 179.513 1.481 11.004 639 1HG LYS 676 1HG LYS 676 181.478 0.690 10.344 640 2HG LYS 676 2HG LYS 676 181.971 2.328 9.906 641 1HD LYS 676 1HD LYS 676 183.567 1.202 11.428 642 2HD LYS 676 2HD LYS 676 182.891 2.677 12.116 643 1HE LYS 676 1HE LYS 676 181.279 0.369 12.776 644 2HE LYS 676 2HE LYS 676 182.952 0.150 13.286 645 1HZ LYS 676 1HZ LYS 676 182.232 1.274 15.079 646 2HZ LYS 676 2HZ LYS 676 180.947 2.009 14.261 647 3HZ LYS 676 3HZ LYS 676 182.511 2.636 14.113 648 HA PRO 677 HA PRO 677 182.508 5.658 8.287 649 1HB PRO 677 1HB PRO 677 184.494 6.662 9.777 650 2HB PRO 677 2HB PRO 677 182.896 7.419 9.759 651 1HG PRO 677 1HG PRO 677 184.120 5.621 11.808 652 2HG PRO 677 2HG PRO 677 183.110 7.058 12.039 653 1HD PRO 677 1HD PRO 677 182.197 4.449 12.165 654 2HD PRO 677 2HD PRO 677 181.177 5.864 11.849 655 H LEU 678 H LEU 678 183.580 4.252 7.097 656 HA LEU 678 HA LEU 678 185.235 2.192 8.280 657 1HB LEU 678 1HB LEU 678 184.680 2.682 5.361 658 2HB LEU 678 2HB LEU 678 185.315 1.218 6.088 659 HG LEU 678 HG LEU 678 182.575 2.273 6.749 660 1HD1 LEU 678 1HD1 LEU 678 182.502 0.001 5.012 661 2HD1 LEU 678 2HD1 LEU 678 183.405 1.306 4.243 662 3HD1 LEU 678 3HD1 LEU 678 181.759 1.588 4.809 663 1HD2 LEU 678 1HD2 LEU 678 184.200 0.034 7.594 664 2HD2 LEU 678 2HD2 LEU 678 182.664 -0.501 6.912 665 3HD2 LEU 678 3HD2 LEU 678 182.682 0.641 8.256 666 HA PRO 679 HA PRO 679 188.259 4.892 5.250 667 1HB PRO 679 1HB PRO 679 187.429 7.297 6.840 668 2HB PRO 679 2HB PRO 679 188.095 7.211 5.204 669 1HG PRO 679 1HG PRO 679 185.486 7.544 5.565 670 2HG PRO 679 2HG PRO 679 186.091 6.480 4.281 671 1HD PRO 679 1HD PRO 679 184.809 5.787 6.867 672 2HD PRO 679 2HD PRO 679 184.801 4.900 5.329 673 H GLY 680 H GLY 680 190.009 4.032 6.160 674 1HA GLY 680 1HA GLY 680 191.919 4.511 7.584 675 2HA GLY 680 2HA GLY 680 190.788 4.996 8.839 676 H ALA 681 H ALA 681 189.208 2.468 7.787 677 HA ALA 681 HA ALA 681 190.511 0.658 9.682 678 1HB ALA 681 1HB ALA 681 187.772 1.213 8.927 679 2HB ALA 681 2HB ALA 681 188.405 0.398 10.356 680 3HB ALA 681 3HB ALA 681 188.127 -0.514 8.873 681 H THR 682 H THR 682 191.446 -1.209 9.090 682 HA THR 682 HA THR 682 191.823 -1.728 6.279 683 HB THR 682 HB THR 682 193.717 -1.970 7.772 684 HG1 THR 682 HG1 THR 682 193.737 -3.397 6.051 685 1HG2 THR 682 1HG2 THR 682 193.786 -3.908 9.359 686 2HG2 THR 682 2HG2 THR 682 192.032 -3.994 9.203 687 3HG2 THR 682 3HG2 THR 682 192.789 -2.541 9.855 688 H ASN 683 H ASN 683 191.987 -4.424 6.063 689 HA ASN 683 HA ASN 683 189.386 -5.213 5.517 690 1HB ASN 683 1HB ASN 683 190.381 -7.564 5.466 691 2HB ASN 683 2HB ASN 683 191.127 -6.368 4.410 692 1HD2 ASN 683 1HD2 ASN 683 191.552 -8.485 7.061 693 2HD2 ASN 683 2HD2 ASN 683 193.226 -8.166 7.340 694 H GLU 684 H GLU 684 191.424 -6.182 8.279 695 HA GLU 684 HA GLU 684 189.537 -7.805 9.537 696 1HB GLU 684 1HB GLU 684 192.131 -6.817 10.113 697 2HB GLU 684 2HB GLU 684 191.128 -6.477 11.517 698 1HG GLU 684 1HG GLU 684 190.393 -8.987 11.151 699 2HG GLU 684 2HG GLU 684 191.968 -9.077 10.365 700 H GLU 685 H GLU 685 189.989 -4.322 9.671 701 HA GLU 685 HA GLU 685 188.266 -3.833 11.853 702 1HB GLU 685 1HB GLU 685 189.208 -2.147 9.545 703 2HB GLU 685 2HB GLU 685 188.031 -1.531 10.697 704 1HG GLU 685 1HG GLU 685 190.368 -2.721 11.964 705 2HG GLU 685 2HG GLU 685 190.751 -1.348 10.926 706 H VAL 686 H VAL 686 187.673 -3.392 8.368 707 HA VAL 686 HA VAL 686 184.978 -2.919 8.397 708 HB VAL 686 HB VAL 686 186.548 -4.525 6.379 709 1HG1 VAL 686 1HG1 VAL 686 183.810 -3.288 6.118 710 2HG1 VAL 686 2HG1 VAL 686 184.182 -5.012 6.147 711 3HG1 VAL 686 3HG1 VAL 686 184.736 -4.013 4.804 712 1HG2 VAL 686 1HG2 VAL 686 187.263 -2.160 6.825 713 2HG2 VAL 686 2HG2 VAL 686 185.677 -1.644 6.250 714 3HG2 VAL 686 3HG2 VAL 686 186.777 -2.490 5.162 715 H TYR 687 H TYR 687 186.623 -6.050 8.505 716 HA TYR 687 HA TYR 687 184.506 -7.781 8.227 717 1HB TYR 687 1HB TYR 687 186.962 -7.954 9.966 718 2HB TYR 687 2HB TYR 687 185.806 -9.275 9.861 719 HD1 TYR 687 HD1 TYR 687 186.122 -7.467 6.795 720 HD2 TYR 687 HD2 TYR 687 187.905 -10.544 9.126 721 HE1 TYR 687 HE1 TYR 687 187.278 -8.304 4.790 722 HE2 TYR 687 HE2 TYR 687 189.065 -11.392 7.130 723 HH TYR 687 HH TYR 687 188.920 -11.331 4.748 724 H ASN 688 H ASN 688 185.622 -6.234 11.209 725 HA ASN 688 HA ASN 688 183.661 -7.360 12.896 726 1HB ASN 688 1HB ASN 688 185.518 -5.020 13.090 727 2HB ASN 688 2HB ASN 688 184.237 -5.198 14.286 728 1HD2 ASN 688 1HD2 ASN 688 186.814 -7.053 12.716 729 2HD2 ASN 688 2HD2 ASN 688 187.260 -7.953 14.123 730 H ILE 689 H ILE 689 183.782 -4.296 11.117 731 HA ILE 689 HA ILE 689 181.435 -3.155 12.101 732 HB ILE 689 HB ILE 689 182.841 -2.853 9.453 733 1HG1 ILE 689 1HG1 ILE 689 183.078 -0.478 10.545 734 2HG1 ILE 689 2HG1 ILE 689 182.710 -1.339 12.035 735 1HG2 ILE 689 1HG2 ILE 689 181.399 -0.851 9.082 736 2HG2 ILE 689 2HG2 ILE 689 180.379 -1.400 10.412 737 3HG2 ILE 689 3HG2 ILE 689 180.543 -2.388 8.960 738 1HD1 ILE 689 1HD1 ILE 689 184.906 -2.234 10.207 739 2HD1 ILE 689 2HD1 ILE 689 184.660 -2.610 11.912 740 3HD1 ILE 689 3HD1 ILE 689 185.156 -0.989 11.430 741 H ILE 690 H ILE 690 181.784 -4.759 8.927 742 HA ILE 690 HA ILE 690 179.071 -4.930 8.359 743 HB ILE 690 HB ILE 690 181.191 -6.887 7.473 744 1HG1 ILE 690 1HG1 ILE 690 180.436 -4.129 6.540 745 2HG1 ILE 690 2HG1 ILE 690 182.037 -4.786 6.857 746 1HG2 ILE 690 1HG2 ILE 690 178.785 -7.517 7.098 747 2HG2 ILE 690 2HG2 ILE 690 179.758 -7.386 5.634 748 3HG2 ILE 690 3HG2 ILE 690 178.644 -6.091 6.070 749 1HD1 ILE 690 1HD1 ILE 690 182.095 -4.776 4.599 750 2HD1 ILE 690 2HD1 ILE 690 180.351 -4.970 4.439 751 3HD1 ILE 690 3HD1 ILE 690 181.358 -6.361 4.832 752 H LEU 691 H LEU 691 181.163 -7.509 9.703 753 HA LEU 691 HA LEU 691 179.319 -9.499 10.048 754 1HB LEU 691 1HB LEU 691 181.692 -8.662 11.653 755 2HB LEU 691 2HB LEU 691 180.661 -9.939 12.265 756 HG LEU 691 HG LEU 691 181.298 -11.434 10.650 757 1HD1 LEU 691 1HD1 LEU 691 182.209 -10.838 8.452 758 2HD1 LEU 691 2HD1 LEU 691 182.068 -9.129 8.865 759 3HD1 LEU 691 3HD1 LEU 691 180.619 -10.125 8.723 760 1HD2 LEU 691 1HD2 LEU 691 183.557 -11.567 10.809 761 2HD2 LEU 691 2HD2 LEU 691 183.287 -10.279 11.984 762 3HD2 LEU 691 3HD2 LEU 691 183.801 -9.883 10.343 763 H GLU 692 H GLU 692 179.985 -6.882 12.332 764 HA GLU 692 HA GLU 692 178.072 -7.600 14.253 765 1HB GLU 692 1HB GLU 692 179.669 -5.201 13.624 766 2HB GLU 692 2HB GLU 692 178.186 -4.894 14.517 767 1HG GLU 692 1HG GLU 692 180.171 -6.963 15.392 768 2HG GLU 692 2HG GLU 692 180.308 -5.268 15.858 769 H SER 693 H SER 693 177.787 -5.945 11.207 770 HA SER 693 HA SER 693 175.044 -5.127 11.780 771 1HB SER 693 1HB SER 693 176.464 -3.489 10.670 772 2HB SER 693 2HB SER 693 176.799 -4.628 9.366 773 HG SER 693 HG SER 693 174.180 -3.778 10.020 774 H LYS 694 H LYS 694 176.637 -7.809 10.497 775 HA LYS 694 HA LYS 694 175.044 -8.549 8.333 776 1HB LYS 694 1HB LYS 694 176.745 -10.012 10.284 777 2HB LYS 694 2HB LYS 694 175.616 -10.963 9.331 778 1HG LYS 694 1HG LYS 694 176.755 -9.418 7.413 779 2HG LYS 694 2HG LYS 694 178.096 -9.624 8.538 780 1HD LYS 694 1HD LYS 694 176.443 -11.947 7.592 781 2HD LYS 694 2HD LYS 694 177.836 -11.361 6.680 782 1HE LYS 694 1HE LYS 694 179.305 -12.246 8.127 783 2HE LYS 694 2HE LYS 694 178.358 -11.755 9.532 784 1HZ LYS 694 1HZ LYS 694 176.819 -13.689 8.607 785 2HZ LYS 694 2HZ LYS 694 178.084 -13.978 9.691 786 3HZ LYS 694 3HZ LYS 694 178.307 -14.256 8.038 787 H SER 695 H SER 695 174.369 -8.601 11.738 788 HA SER 695 HA SER 695 171.916 -10.145 11.279 789 1HB SER 695 1HB SER 695 173.377 -9.413 13.822 790 2HB SER 695 2HB SER 695 171.810 -10.221 13.795 791 HG SER 695 HG SER 695 174.285 -11.172 12.799 792 H GLU 696 H GLU 696 172.674 -7.061 10.955 793 HA GLU 696 HA GLU 696 170.685 -5.827 12.630 794 1HB GLU 696 1HB GLU 696 172.577 -4.853 10.518 795 2HB GLU 696 2HB GLU 696 171.259 -3.822 11.057 796 1HG GLU 696 1HG GLU 696 172.984 -5.060 13.126 797 2HG GLU 696 2HG GLU 696 173.655 -3.743 12.165 798 HA PRO 697 HA PRO 697 167.190 -6.612 9.995 799 1HB PRO 697 1HB PRO 697 166.210 -4.035 11.104 800 2HB PRO 697 2HB PRO 697 165.428 -5.618 11.075 801 1HG PRO 697 1HG PRO 697 166.464 -4.651 13.331 802 2HG PRO 697 2HG PRO 697 166.592 -6.374 12.932 803 1HD PRO 697 1HD PRO 697 168.662 -4.225 12.752 804 2HD PRO 697 2HD PRO 697 168.836 -5.926 13.235 805 H GLN 698 H GLN 698 169.078 -3.700 9.953 806 HA GLN 698 HA GLN 698 168.474 -3.345 7.137 807 1HB GLN 698 1HB GLN 698 166.800 -1.965 8.415 808 2HB GLN 698 2HB GLN 698 168.147 -1.026 9.043 809 1HG GLN 698 1HG GLN 698 168.766 -0.469 6.699 810 2HG GLN 698 2HG GLN 698 167.290 -1.277 6.171 811 1HE2 GLN 698 1HE2 GLN 698 165.786 0.132 5.672 812 2HE2 GLN 698 2HE2 GLN 698 165.444 1.605 6.509 813 H VAL 699 H VAL 699 169.966 -1.923 6.053 814 HA VAL 699 HA VAL 699 172.410 -1.310 7.565 815 HB VAL 699 HB VAL 699 172.240 -2.844 4.970 816 1HG1 VAL 699 1HG1 VAL 699 174.681 -2.723 4.841 817 2HG1 VAL 699 2HG1 VAL 699 174.703 -1.637 6.231 818 3HG1 VAL 699 3HG1 VAL 699 173.954 -1.120 4.719 819 1HG2 VAL 699 1HG2 VAL 699 173.983 -4.187 6.500 820 2HG2 VAL 699 2HG2 VAL 699 172.245 -4.485 6.524 821 3HG2 VAL 699 3HG2 VAL 699 172.982 -3.464 7.760 822 H GLU 700 H GLU 700 173.511 0.495 6.909 823 HA GLU 700 HA GLU 700 172.372 2.015 4.657 824 1HB GLU 700 1HB GLU 700 171.655 3.015 6.779 825 2HB GLU 700 2HB GLU 700 173.328 3.110 7.312 826 1HG GLU 700 1HG GLU 700 173.841 4.802 5.792 827 2HG GLU 700 2HG GLU 700 172.411 4.480 4.813 828 H ILE 701 H ILE 701 173.882 1.960 3.102 829 HA ILE 701 HA ILE 701 176.682 2.379 3.911 830 HB ILE 701 HB ILE 701 177.080 1.275 1.543 831 1HG1 ILE 701 1HG1 ILE 701 174.419 0.142 2.436 832 2HG1 ILE 701 2HG1 ILE 701 174.754 0.991 0.931 833 1HG2 ILE 701 1HG2 ILE 701 176.501 -0.173 4.117 834 2HG2 ILE 701 2HG2 ILE 701 178.055 0.428 3.539 835 3HG2 ILE 701 3HG2 ILE 701 177.273 -0.925 2.721 836 1HD1 ILE 701 1HD1 ILE 701 175.961 -0.817 0.056 837 2HD1 ILE 701 2HD1 ILE 701 174.540 -1.532 0.820 838 3HD1 ILE 701 3HD1 ILE 701 176.105 -1.589 1.636 839 H ILE 702 H ILE 702 177.859 3.908 2.934 840 HA ILE 702 HA ILE 702 176.531 5.513 0.848 841 HB ILE 702 HB ILE 702 178.636 6.578 2.714 842 1HG1 ILE 702 1HG1 ILE 702 176.878 5.822 4.175 843 2HG1 ILE 702 2HG1 ILE 702 176.748 7.570 4.032 844 1HG2 ILE 702 1HG2 ILE 702 177.766 7.657 0.468 845 2HG2 ILE 702 2HG2 ILE 702 178.129 8.643 1.885 846 3HG2 ILE 702 3HG2 ILE 702 176.460 8.209 1.516 847 1HD1 ILE 702 1HD1 ILE 702 174.610 6.161 3.939 848 2HD1 ILE 702 2HD1 ILE 702 175.113 5.760 2.298 849 3HD1 ILE 702 3HD1 ILE 702 174.821 7.441 2.745 850 H VAL 703 H VAL 703 177.753 6.206 -0.909 851 HA VAL 703 HA VAL 703 180.497 5.150 -1.076 852 HB VAL 703 HB VAL 703 180.030 4.697 -3.522 853 1HG1 VAL 703 1HG1 VAL 703 179.123 2.501 -3.095 854 2HG1 VAL 703 2HG1 VAL 703 178.496 3.032 -1.533 855 3HG1 VAL 703 3HG1 VAL 703 180.237 2.945 -1.802 856 1HG2 VAL 703 1HG2 VAL 703 177.640 4.228 -4.067 857 2HG2 VAL 703 2HG2 VAL 703 178.002 5.937 -3.826 858 3HG2 VAL 703 3HG2 VAL 703 177.193 5.020 -2.556 859 H SER 704 H SER 704 181.488 6.019 -3.269 860 HA SER 704 HA SER 704 180.733 8.791 -3.770 861 1HB SER 704 1HB SER 704 182.259 9.207 -2.018 862 2HB SER 704 2HB SER 704 183.359 7.939 -2.561 863 HG SER 704 HG SER 704 184.321 9.397 -3.705 864 H ARG 705 H ARG 705 180.496 8.776 -5.907 865 HA ARG 705 HA ARG 705 182.379 7.234 -7.544 866 1HB ARG 705 1HB ARG 705 179.856 6.942 -7.766 867 2HB ARG 705 2HB ARG 705 179.834 8.545 -8.488 868 1HG ARG 705 1HG ARG 705 180.995 7.852 -10.374 869 2HG ARG 705 2HG ARG 705 181.621 6.408 -9.576 870 1HD ARG 705 1HD ARG 705 179.613 5.268 -9.779 871 2HD ARG 705 2HD ARG 705 178.677 6.749 -9.969 872 HE ARG 705 HE ARG 705 180.528 6.280 -12.114 873 1HH1 ARG 705 1HH1 ARG 705 177.330 5.589 -10.901 874 2HH1 ARG 705 2HH1 ARG 705 176.674 5.245 -12.467 875 1HH2 ARG 705 1HH2 ARG 705 179.667 5.827 -14.174 876 2HH2 ARG 705 2HH2 ARG 705 178.002 5.379 -14.324 877 H GLU 943 H GLU 943 188.236 -10.746 -6.057 878 HA GLU 943 HA GLU 943 189.914 -11.511 -3.778 879 1HB GLU 943 1HB GLU 943 191.047 -10.099 -5.628 880 2HB GLU 943 2HB GLU 943 189.955 -8.819 -5.120 881 1HG GLU 943 1HG GLU 943 191.057 -8.454 -3.185 882 2HG GLU 943 2HG GLU 943 191.490 -10.152 -2.983 883 H GLU 944 H GLU 944 187.846 -11.858 -2.748 884 HA GLU 944 HA GLU 944 186.218 -9.450 -2.362 885 1HB GLU 944 1HB GLU 944 184.554 -10.983 -1.376 886 2HB GLU 944 2HB GLU 944 184.983 -11.433 -3.021 887 1HG GLU 944 1HG GLU 944 186.739 -12.807 -1.291 888 2HG GLU 944 2HG GLU 944 185.109 -12.988 -0.644 889 H GLY 945 H GLY 945 185.133 -9.645 0.024 890 1HA GLY 945 1HA GLY 945 187.195 -10.230 2.008 891 2HA GLY 945 2HA GLY 945 186.690 -8.555 1.864 892 H ILE 946 H ILE 946 183.928 -8.961 1.413 893 HA ILE 946 HA ILE 946 183.016 -10.450 3.763 894 HB ILE 946 HB ILE 946 181.582 -7.931 3.558 895 1HG1 ILE 946 1HG1 ILE 946 184.091 -7.371 2.931 896 2HG1 ILE 946 2HG1 ILE 946 183.188 -6.347 4.034 897 1HG2 ILE 946 1HG2 ILE 946 183.111 -9.176 5.841 898 2HG2 ILE 946 2HG2 ILE 946 181.441 -9.548 5.409 899 3HG2 ILE 946 3HG2 ILE 946 181.871 -7.927 5.954 900 1HD1 ILE 946 1HD1 ILE 946 185.120 -8.501 4.839 901 2HD1 ILE 946 2HD1 ILE 946 184.236 -7.433 5.932 902 3HD1 ILE 946 3HD1 ILE 946 185.444 -6.767 4.831 903 H TRP 947 H TRP 947 180.921 -11.177 3.659 904 HA TRP 947 HA TRP 947 179.664 -10.992 1.022 905 1HB TRP 947 1HB TRP 947 179.873 -13.065 3.029 906 2HB TRP 947 2HB TRP 947 178.188 -12.771 2.610 907 HD1 TRP 947 HD1 TRP 947 180.433 -15.229 1.744 908 HE1 TRP 947 HE1 TRP 947 180.325 -15.966 -0.720 909 HE3 TRP 947 HE3 TRP 947 177.951 -11.205 -0.208 910 HZ2 TRP 947 HZ2 TRP 947 179.322 -14.973 -3.167 911 HZ3 TRP 947 HZ3 TRP 947 177.454 -11.176 -2.618 912 HH2 TRP 947 HH2 TRP 947 178.128 -13.024 -4.065 913 H ALA 948 H ALA 948 178.117 -9.544 0.743 914 HA ALA 948 HA ALA 948 176.133 -9.117 2.822 915 1HB ALA 948 1HB ALA 948 177.606 -7.455 3.536 916 2HB ALA 948 2HB ALA 948 176.451 -6.589 2.522 917 3HB ALA 948 3HB ALA 948 178.044 -7.006 1.887 Start of MODEL 9 1 H HIS 597 H HIS 597 163.655 5.094 1.849 2 HA HIS 597 HA HIS 597 163.935 3.267 0.681 3 1HB HIS 597 1HB HIS 597 161.614 4.721 -0.013 4 2HB HIS 597 2HB HIS 597 162.184 3.972 -1.500 5 HD1 HIS 597 HD1 HIS 597 159.809 2.654 -1.107 6 HD2 HIS 597 HD2 HIS 597 162.971 1.684 1.409 7 HE1 HIS 597 HE1 HIS 597 159.212 0.427 -0.105 8 HE2 HIS 597 HE2 HIS 597 161.179 -0.180 1.347 9 HA PRO 598 HA PRO 598 165.493 4.342 -3.692 10 1HB PRO 598 1HB PRO 598 165.178 6.784 -4.731 11 2HB PRO 598 2HB PRO 598 163.846 5.623 -4.701 12 1HG PRO 598 1HG PRO 598 164.368 7.957 -2.909 13 2HG PRO 598 2HG PRO 598 162.834 7.387 -3.587 14 1HD PRO 598 1HD PRO 598 163.726 6.858 -1.021 15 2HD PRO 598 2HD PRO 598 162.515 5.897 -1.891 16 H VAL 599 H VAL 599 167.397 5.405 -4.677 17 HA VAL 599 HA VAL 599 169.119 6.517 -2.587 18 HB VAL 599 HB VAL 599 169.633 4.982 -5.094 19 1HG1 VAL 599 1HG1 VAL 599 171.046 6.819 -5.567 20 2HG1 VAL 599 2HG1 VAL 599 172.084 5.583 -4.856 21 3HG1 VAL 599 3HG1 VAL 599 171.556 6.956 -3.884 22 1HG2 VAL 599 1HG2 VAL 599 170.696 4.911 -2.279 23 2HG2 VAL 599 2HG2 VAL 599 171.251 3.850 -3.575 24 3HG2 VAL 599 3HG2 VAL 599 169.574 3.775 -3.030 25 H THR 600 H THR 600 170.345 8.380 -2.895 26 HA THR 600 HA THR 600 169.585 10.067 -5.182 27 HB THR 600 HB THR 600 169.844 11.969 -3.361 28 HG1 THR 600 HG1 THR 600 168.894 9.788 -1.822 29 1HG2 THR 600 1HG2 THR 600 167.806 11.645 -4.609 30 2HG2 THR 600 2HG2 THR 600 167.442 11.890 -2.900 31 3HG2 THR 600 3HG2 THR 600 167.377 10.269 -3.592 32 H TRP 601 H TRP 601 171.116 11.623 -5.831 33 HA TRP 601 HA TRP 601 173.796 11.356 -4.652 34 1HB TRP 601 1HB TRP 601 173.240 11.435 -7.624 35 2HB TRP 601 2HB TRP 601 174.814 11.267 -6.851 36 HD1 TRP 601 HD1 TRP 601 171.714 9.277 -7.799 37 HE1 TRP 601 HE1 TRP 601 172.192 6.772 -7.454 38 HE3 TRP 601 HE3 TRP 601 176.216 9.632 -5.401 39 HZ2 TRP 601 HZ2 TRP 601 174.210 5.160 -6.317 40 HZ3 TRP 601 HZ3 TRP 601 177.355 7.560 -4.720 41 HH2 TRP 601 HH2 TRP 601 176.371 5.371 -5.169 42 H GLN 602 H GLN 602 174.895 13.229 -4.411 43 HA GLN 602 HA GLN 602 173.829 15.633 -5.731 44 1HB GLN 602 1HB GLN 602 174.157 16.911 -3.674 45 2HB GLN 602 2HB GLN 602 173.032 15.585 -3.413 46 1HG GLN 602 1HG GLN 602 175.555 14.557 -2.795 47 2HG GLN 602 2HG GLN 602 175.510 16.171 -2.089 48 1HE2 GLN 602 1HE2 GLN 602 173.189 13.514 -2.508 49 2HE2 GLN 602 2HE2 GLN 602 172.673 13.479 -0.860 50 HA PRO 603 HA PRO 603 177.995 16.500 -6.883 51 1HB PRO 603 1HB PRO 603 177.998 19.229 -6.822 52 2HB PRO 603 2HB PRO 603 177.239 18.284 -8.107 53 1HG PRO 603 1HG PRO 603 175.989 19.578 -5.715 54 2HG PRO 603 2HG PRO 603 175.412 19.530 -7.392 55 1HD PRO 603 1HD PRO 603 174.412 17.907 -5.485 56 2HD PRO 603 2HD PRO 603 174.577 17.386 -7.175 57 H SER 604 H SER 604 179.677 16.141 -5.599 58 HA SER 604 HA SER 604 179.761 17.144 -2.900 59 1HB SER 604 1HB SER 604 180.580 14.849 -3.684 60 2HB SER 604 2HB SER 604 181.993 15.693 -4.318 61 HG SER 604 HG SER 604 182.702 15.398 -2.352 62 H LYS 605 H LYS 605 181.763 18.155 -2.049 63 HA LYS 605 HA LYS 605 182.400 20.494 -3.609 64 1HB LYS 605 1HB LYS 605 182.847 19.607 -0.800 65 2HB LYS 605 2HB LYS 605 183.897 20.860 -1.448 66 1HG LYS 605 1HG LYS 605 180.978 21.195 -1.827 67 2HG LYS 605 2HG LYS 605 181.624 21.407 -0.199 68 1HD LYS 605 1HD LYS 605 181.739 23.551 -1.083 69 2HD LYS 605 2HD LYS 605 183.370 22.932 -1.344 70 1HE LYS 605 1HE LYS 605 182.451 24.115 -3.313 71 2HE LYS 605 2HE LYS 605 182.869 22.436 -3.645 72 1HZ LYS 605 1HZ LYS 605 180.725 21.871 -3.973 73 2HZ LYS 605 2HZ LYS 605 180.556 23.514 -4.341 74 3HZ LYS 605 3HZ LYS 605 180.130 22.943 -2.806 75 H GLU 606 H GLU 606 183.710 17.424 -3.388 76 HA GLU 606 HA GLU 606 186.472 17.921 -3.376 77 1HB GLU 606 1HB GLU 606 185.015 15.658 -4.751 78 2HB GLU 606 2HB GLU 606 186.712 15.678 -4.288 79 1HG GLU 606 1HG GLU 606 186.243 15.441 -2.042 80 2HG GLU 606 2HG GLU 606 184.602 16.064 -2.214 81 H GLY 607 H GLY 607 184.136 18.576 -5.790 82 1HA GLY 607 1HA GLY 607 185.142 20.114 -7.520 83 2HA GLY 607 2HA GLY 607 186.276 18.806 -7.815 84 H ASP 608 H ASP 608 184.269 16.714 -7.558 85 HA ASP 608 HA ASP 608 182.118 17.117 -9.324 86 1HB ASP 608 1HB ASP 608 184.417 17.180 -10.744 87 2HB ASP 608 2HB ASP 608 184.078 15.451 -10.784 88 H ARG 609 H ARG 609 182.852 15.685 -6.859 89 HA ARG 609 HA ARG 609 182.452 12.893 -7.628 90 1HB ARG 609 1HB ARG 609 183.999 14.050 -5.663 91 2HB ARG 609 2HB ARG 609 182.594 13.496 -4.764 92 1HG ARG 609 1HG ARG 609 183.971 11.668 -4.637 93 2HG ARG 609 2HG ARG 609 182.993 11.267 -6.050 94 1HD ARG 609 1HD ARG 609 184.716 11.632 -7.518 95 2HD ARG 609 2HD ARG 609 185.520 12.785 -6.453 96 HE ARG 609 HE ARG 609 185.562 10.206 -5.301 97 1HH1 ARG 609 1HH1 ARG 609 187.024 12.068 -7.866 98 2HH1 ARG 609 2HH1 ARG 609 188.495 11.155 -7.858 99 1HH2 ARG 609 1HH2 ARG 609 187.497 9.006 -5.289 100 2HH2 ARG 609 2HH2 ARG 609 188.764 9.416 -6.396 101 H LEU 610 H LEU 610 180.602 11.787 -7.237 102 HA LEU 610 HA LEU 610 178.361 13.337 -6.129 103 1HB LEU 610 1HB LEU 610 178.634 11.465 -8.368 104 2HB LEU 610 2HB LEU 610 177.236 11.154 -7.357 105 HG LEU 610 HG LEU 610 176.724 12.601 -9.290 106 1HD1 LEU 610 1HD1 LEU 610 176.242 13.291 -6.486 107 2HD1 LEU 610 2HD1 LEU 610 175.107 13.095 -7.822 108 3HD1 LEU 610 3HD1 LEU 610 175.980 14.615 -7.621 109 1HD2 LEU 610 1HD2 LEU 610 178.394 14.007 -9.839 110 2HD2 LEU 610 2HD2 LEU 610 178.984 14.123 -8.181 111 3HD2 LEU 610 3HD2 LEU 610 177.599 15.087 -8.693 112 H ILE 611 H ILE 611 177.865 12.842 -4.110 113 HA ILE 611 HA ILE 611 178.432 10.150 -3.104 114 HB ILE 611 HB ILE 611 177.528 12.466 -1.415 115 1HG1 ILE 611 1HG1 ILE 611 179.434 13.349 -2.564 116 2HG1 ILE 611 2HG1 ILE 611 179.980 12.861 -0.963 117 1HG2 ILE 611 1HG2 ILE 611 177.573 10.819 0.089 118 2HG2 ILE 611 2HG2 ILE 611 179.329 10.959 0.002 119 3HG2 ILE 611 3HG2 ILE 611 178.490 9.752 -0.974 120 1HD1 ILE 611 1HD1 ILE 611 180.502 11.552 -3.603 121 2HD1 ILE 611 2HD1 ILE 611 180.707 10.682 -2.082 122 3HD1 ILE 611 3HD1 ILE 611 181.655 12.134 -2.402 123 H GLY 612 H GLY 612 176.878 8.826 -2.260 124 1HA GLY 612 1HA GLY 612 174.107 9.812 -2.253 125 2HA GLY 612 2HA GLY 612 174.500 8.358 -3.158 126 H ARG 613 H ARG 613 172.600 8.442 -1.100 127 HA ARG 613 HA ARG 613 173.936 6.938 1.052 128 1HB ARG 613 1HB ARG 613 171.793 7.398 2.334 129 2HB ARG 613 2HB ARG 613 172.818 8.793 2.020 130 1HG ARG 613 1HG ARG 613 171.371 9.636 0.390 131 2HG ARG 613 2HG ARG 613 170.527 8.095 0.218 132 1HD ARG 613 1HD ARG 613 170.507 9.538 2.837 133 2HD ARG 613 2HD ARG 613 169.417 10.038 1.546 134 HE ARG 613 HE ARG 613 169.252 7.242 1.957 135 1HH1 ARG 613 1HH1 ARG 613 168.295 10.282 3.380 136 2HH1 ARG 613 2HH1 ARG 613 166.904 9.618 4.169 137 1HH2 ARG 613 1HH2 ARG 613 167.423 6.367 2.994 138 2HH2 ARG 613 2HH2 ARG 613 166.409 7.396 3.951 139 H VAL 614 H VAL 614 173.685 4.784 0.956 140 HA VAL 614 HA VAL 614 171.314 3.764 -0.451 141 HB VAL 614 HB VAL 614 173.993 2.422 -0.092 142 1HG1 VAL 614 1HG1 VAL 614 172.742 0.572 -0.379 143 2HG1 VAL 614 2HG1 VAL 614 172.746 1.064 -2.073 144 3HG1 VAL 614 3HG1 VAL 614 171.376 1.471 -1.039 145 1HG2 VAL 614 1HG2 VAL 614 172.997 3.098 -2.779 146 2HG2 VAL 614 2HG2 VAL 614 174.630 3.174 -2.120 147 3HG2 VAL 614 3HG2 VAL 614 173.479 4.465 -1.775 148 H ILE 615 H ILE 615 169.859 2.725 0.699 149 HA ILE 615 HA ILE 615 170.635 1.642 3.325 150 HB ILE 615 HB ILE 615 167.782 2.114 2.533 151 1HG1 ILE 615 1HG1 ILE 615 168.898 4.239 2.079 152 2HG1 ILE 615 2HG1 ILE 615 167.909 4.371 3.530 153 1HG2 ILE 615 1HG2 ILE 615 167.805 1.002 4.532 154 2HG2 ILE 615 2HG2 ILE 615 167.845 2.671 5.103 155 3HG2 ILE 615 3HG2 ILE 615 169.332 1.724 5.042 156 1HD1 ILE 615 1HD1 ILE 615 169.665 4.884 4.790 157 2HD1 ILE 615 2HD1 ILE 615 170.533 5.134 3.275 158 3HD1 ILE 615 3HD1 ILE 615 170.641 3.584 4.109 159 H LEU 616 H LEU 616 170.785 -0.505 3.423 160 HA LEU 616 HA LEU 616 169.153 -2.089 1.552 161 1HB LEU 616 1HB LEU 616 171.992 -2.245 2.317 162 2HB LEU 616 2HB LEU 616 171.156 -3.787 2.268 163 HG LEU 616 HG LEU 616 171.257 -1.819 -0.019 164 1HD1 LEU 616 1HD1 LEU 616 173.150 -2.740 -0.730 165 2HD1 LEU 616 2HD1 LEU 616 172.556 -4.373 -0.432 166 3HD1 LEU 616 3HD1 LEU 616 173.304 -3.455 0.875 167 1HD2 LEU 616 1HD2 LEU 616 169.369 -3.695 0.425 168 2HD2 LEU 616 2HD2 LEU 616 170.569 -4.641 -0.456 169 3HD2 LEU 616 3HD2 LEU 616 169.899 -3.179 -1.175 170 H ASN 617 H ASN 617 168.226 -4.008 2.279 171 HA ASN 617 HA ASN 617 168.181 -4.367 5.202 172 1HB ASN 617 1HB ASN 617 166.112 -3.296 4.594 173 2HB ASN 617 2HB ASN 617 165.862 -4.421 3.263 174 1HD2 ASN 617 1HD2 ASN 617 164.925 -3.679 6.303 175 2HD2 ASN 617 2HD2 ASN 617 164.335 -5.219 6.817 176 H LYS 618 H LYS 618 168.972 -6.302 5.723 177 HA LYS 618 HA LYS 618 168.750 -8.496 3.788 178 1HB LYS 618 1HB LYS 618 170.510 -9.556 5.307 179 2HB LYS 618 2HB LYS 618 171.015 -8.169 4.351 180 1HG LYS 618 1HG LYS 618 171.286 -6.835 6.164 181 2HG LYS 618 2HG LYS 618 170.000 -7.627 7.077 182 1HD LYS 618 1HD LYS 618 171.911 -8.292 8.213 183 2HD LYS 618 2HD LYS 618 171.620 -9.651 7.126 184 1HE LYS 618 1HE LYS 618 173.962 -9.095 7.088 185 2HE LYS 618 2HE LYS 618 173.240 -8.673 5.535 186 1HZ LYS 618 1HZ LYS 618 173.218 -6.387 6.133 187 2HZ LYS 618 2HZ LYS 618 174.771 -6.970 6.463 188 3HZ LYS 618 3HZ LYS 618 173.675 -6.722 7.727 189 H ARG 619 H ARG 619 166.497 -7.749 5.369 190 HA ARG 619 HA ARG 619 166.325 -9.871 7.379 191 1HB ARG 619 1HB ARG 619 165.398 -8.130 8.481 192 2HB ARG 619 2HB ARG 619 165.058 -7.247 7.003 193 1HG ARG 619 1HG ARG 619 163.002 -7.719 8.140 194 2HG ARG 619 2HG ARG 619 163.067 -8.668 6.654 195 1HD ARG 619 1HD ARG 619 163.180 -10.639 7.763 196 2HD ARG 619 2HD ARG 619 164.147 -9.966 9.075 197 HE ARG 619 HE ARG 619 162.218 -9.508 10.230 198 1HH1 ARG 619 1HH1 ARG 619 161.415 -10.322 6.931 199 2HH1 ARG 619 2HH1 ARG 619 159.713 -10.405 7.235 200 1HH2 ARG 619 1HH2 ARG 619 159.978 -9.617 10.629 201 2HH2 ARG 619 2HH2 ARG 619 158.896 -10.004 9.333 202 H THR 620 H THR 620 164.634 -8.623 4.522 203 HA THR 620 HA THR 620 163.048 -11.076 4.378 204 HB THR 620 HB THR 620 161.940 -9.825 2.442 205 HG1 THR 620 HG1 THR 620 163.671 -8.300 2.197 206 1HG2 THR 620 1HG2 THR 620 161.724 -9.239 5.295 207 2HG2 THR 620 2HG2 THR 620 160.474 -9.617 4.109 208 3HG2 THR 620 3HG2 THR 620 161.099 -7.973 4.237 209 H THR 621 H THR 621 162.660 -11.762 1.956 210 HA THR 621 HA THR 621 165.323 -12.072 0.736 211 HB THR 621 HB THR 621 163.987 -14.116 -0.352 212 HG1 THR 621 HG1 THR 621 162.487 -14.941 1.016 213 1HG2 THR 621 1HG2 THR 621 164.736 -14.759 2.408 214 2HG2 THR 621 2HG2 THR 621 165.983 -13.954 1.456 215 3HG2 THR 621 3HG2 THR 621 165.275 -15.464 0.883 216 H MET 622 H MET 622 165.558 -11.837 -1.474 217 HA MET 622 HA MET 622 163.928 -9.961 -2.753 218 1HB MET 622 1HB MET 622 165.168 -10.656 -4.837 219 2HB MET 622 2HB MET 622 166.180 -10.175 -3.483 220 1HG MET 622 1HG MET 622 166.043 -12.819 -3.039 221 2HG MET 622 2HG MET 622 165.878 -12.792 -4.791 222 1HE MET 622 1HE MET 622 169.429 -11.028 -2.462 223 2HE MET 622 2HE MET 622 167.835 -11.405 -1.810 224 3HE MET 622 3HE MET 622 168.050 -10.001 -2.855 225 HA PRO 623 HA PRO 623 160.654 -12.380 -4.443 226 1HB PRO 623 1HB PRO 623 159.886 -10.859 -6.517 227 2HB PRO 623 2HB PRO 623 159.679 -10.326 -4.843 228 1HG PRO 623 1HG PRO 623 161.793 -9.573 -6.823 229 2HG PRO 623 2HG PRO 623 160.910 -8.543 -5.683 230 1HD PRO 623 1HD PRO 623 163.442 -9.494 -5.236 231 2HD PRO 623 2HD PRO 623 162.304 -9.068 -3.942 232 H LYS 624 H LYS 624 163.584 -12.072 -6.084 233 HA LYS 624 HA LYS 624 162.670 -13.621 -8.393 234 1HB LYS 624 1HB LYS 624 165.056 -13.248 -9.187 235 2HB LYS 624 2HB LYS 624 164.033 -11.823 -9.076 236 1HG LYS 624 1HG LYS 624 165.622 -12.447 -6.679 237 2HG LYS 624 2HG LYS 624 166.533 -11.958 -8.107 238 1HD LYS 624 1HD LYS 624 164.205 -10.417 -6.968 239 2HD LYS 624 2HD LYS 624 165.897 -10.070 -6.608 240 1HE LYS 624 1HE LYS 624 165.735 -8.665 -8.355 241 2HE LYS 624 2HE LYS 624 165.952 -10.127 -9.315 242 1HZ LYS 624 1HZ LYS 624 163.260 -10.005 -8.774 243 2HZ LYS 624 2HZ LYS 624 164.012 -9.651 -10.247 244 3HZ LYS 624 3HZ LYS 624 163.693 -8.411 -9.142 245 H GLU 625 H GLU 625 164.445 -13.938 -5.439 246 HA GLU 625 HA GLU 625 164.506 -16.777 -5.684 247 1HB GLU 625 1HB GLU 625 167.144 -16.659 -5.242 248 2HB GLU 625 2HB GLU 625 166.456 -16.834 -6.849 249 1HG GLU 625 1HG GLU 625 167.170 -14.821 -7.510 250 2HG GLU 625 2HG GLU 625 166.773 -14.060 -5.971 251 H SER 626 H SER 626 166.887 -14.772 -3.988 252 HA SER 626 HA SER 626 165.544 -14.463 -1.569 253 1HB SER 626 1HB SER 626 166.884 -17.101 -1.928 254 2HB SER 626 2HB SER 626 167.047 -16.306 -0.362 255 HG SER 626 HG SER 626 165.176 -17.239 -0.036 256 H GLY 627 H GLY 627 168.696 -15.280 -2.977 257 1HA GLY 627 1HA GLY 627 170.588 -13.897 -2.992 258 2HA GLY 627 2HA GLY 627 169.812 -12.861 -1.802 259 H ALA 628 H ALA 628 171.908 -12.873 -0.740 260 HA ALA 628 HA ALA 628 172.229 -15.255 0.957 261 1HB ALA 628 1HB ALA 628 174.692 -14.769 0.955 262 2HB ALA 628 2HB ALA 628 174.393 -13.637 -0.363 263 3HB ALA 628 3HB ALA 628 174.041 -15.352 -0.575 264 H LEU 629 H LEU 629 173.119 -11.834 0.649 265 HA LEU 629 HA LEU 629 172.612 -11.534 3.528 266 1HB LEU 629 1HB LEU 629 174.588 -9.737 2.230 267 2HB LEU 629 2HB LEU 629 174.490 -10.274 3.889 268 HG LEU 629 HG LEU 629 176.453 -11.213 2.975 269 1HD1 LEU 629 1HD1 LEU 629 174.502 -12.771 4.068 270 2HD1 LEU 629 2HD1 LEU 629 176.184 -13.238 3.809 271 3HD1 LEU 629 3HD1 LEU 629 174.956 -13.669 2.620 272 1HD2 LEU 629 1HD2 LEU 629 175.752 -12.923 0.917 273 2HD2 LEU 629 2HD2 LEU 629 176.628 -11.401 0.775 274 3HD2 LEU 629 3HD2 LEU 629 174.882 -11.433 0.563 275 H LEU 630 H LEU 630 173.452 -9.122 1.061 276 HA LEU 630 HA LEU 630 170.746 -8.020 1.345 277 1HB LEU 630 1HB LEU 630 172.222 -5.768 0.879 278 2HB LEU 630 2HB LEU 630 171.597 -6.274 2.434 279 HG LEU 630 HG LEU 630 174.328 -7.043 1.471 280 1HD1 LEU 630 1HD1 LEU 630 173.370 -4.498 2.581 281 2HD1 LEU 630 2HD1 LEU 630 174.778 -4.843 1.576 282 3HD1 LEU 630 3HD1 LEU 630 174.834 -5.159 3.310 283 1HD2 LEU 630 1HD2 LEU 630 174.572 -8.089 3.417 284 2HD2 LEU 630 2HD2 LEU 630 172.823 -7.943 3.593 285 3HD2 LEU 630 3HD2 LEU 630 173.886 -6.735 4.315 286 H GLY 631 H GLY 631 173.710 -8.083 -0.688 287 1HA GLY 631 1HA GLY 631 172.613 -8.799 -3.023 288 2HA GLY 631 2HA GLY 631 172.149 -7.114 -2.949 289 H LEU 632 H LEU 632 175.259 -7.679 -1.575 290 HA LEU 632 HA LEU 632 176.693 -7.597 -4.046 291 1HB LEU 632 1HB LEU 632 177.585 -5.401 -3.983 292 2HB LEU 632 2HB LEU 632 175.843 -5.277 -3.906 293 HG LEU 632 HG LEU 632 176.870 -3.627 -2.474 294 1HD1 LEU 632 1HD1 LEU 632 175.164 -3.827 -1.099 295 2HD1 LEU 632 2HD1 LEU 632 175.968 -5.139 -0.242 296 3HD1 LEU 632 3HD1 LEU 632 174.941 -5.492 -1.629 297 1HD2 LEU 632 1HD2 LEU 632 178.521 -3.978 -0.992 298 2HD2 LEU 632 2HD2 LEU 632 178.862 -5.356 -2.037 299 3HD2 LEU 632 3HD2 LEU 632 177.942 -5.584 -0.550 300 H LYS 633 H LYS 633 179.003 -7.642 -3.813 301 HA LYS 633 HA LYS 633 179.806 -8.568 -1.136 302 1HB LYS 633 1HB LYS 633 180.077 -9.841 -3.543 303 2HB LYS 633 2HB LYS 633 181.637 -9.044 -3.398 304 1HG LYS 633 1HG LYS 633 181.259 -10.153 -0.905 305 2HG LYS 633 2HG LYS 633 180.589 -11.361 -2.001 306 1HD LYS 633 1HD LYS 633 183.156 -10.211 -2.849 307 2HD LYS 633 2HD LYS 633 183.220 -11.151 -1.357 308 1HE LYS 633 1HE LYS 633 182.509 -13.100 -2.408 309 2HE LYS 633 2HE LYS 633 181.822 -12.225 -3.776 310 1HZ LYS 633 1HZ LYS 633 184.523 -13.147 -3.350 311 2HZ LYS 633 2HZ LYS 633 184.421 -11.564 -3.935 312 3HZ LYS 633 3HZ LYS 633 183.703 -12.831 -4.795 313 H VAL 634 H VAL 634 181.277 -7.420 -0.001 314 HA VAL 634 HA VAL 634 182.597 -5.196 -1.409 315 HB VAL 634 HB VAL 634 181.439 -5.391 1.337 316 1HG1 VAL 634 1HG1 VAL 634 182.636 -3.299 1.948 317 2HG1 VAL 634 2HG1 VAL 634 183.641 -3.500 0.512 318 3HG1 VAL 634 3HG1 VAL 634 183.702 -4.699 1.802 319 1HG2 VAL 634 1HG2 VAL 634 179.930 -4.165 0.259 320 2HG2 VAL 634 2HG2 VAL 634 181.011 -3.890 -1.109 321 3HG2 VAL 634 3HG2 VAL 634 181.106 -2.853 0.313 322 H VAL 635 H VAL 635 184.647 -4.540 -0.781 323 HA VAL 635 HA VAL 635 186.257 -6.537 0.655 324 HB VAL 635 HB VAL 635 186.489 -5.639 -2.104 325 1HG1 VAL 635 1HG1 VAL 635 188.197 -4.148 -1.279 326 2HG1 VAL 635 2HG1 VAL 635 188.947 -5.489 -2.143 327 3HG1 VAL 635 3HG1 VAL 635 188.955 -5.463 -0.379 328 1HG2 VAL 635 1HG2 VAL 635 186.356 -7.924 -1.638 329 2HG2 VAL 635 2HG2 VAL 635 187.627 -7.834 -0.421 330 3HG2 VAL 635 3HG2 VAL 635 188.027 -7.641 -2.129 331 H GLY 636 H GLY 636 187.375 -5.679 2.303 332 1HA GLY 636 1HA GLY 636 187.730 -2.751 2.332 333 2HA GLY 636 2HA GLY 636 187.609 -3.763 3.763 334 H GLY 637 H GLY 637 189.632 -2.092 3.818 335 1HA GLY 637 1HA GLY 637 191.889 -2.169 4.333 336 2HA GLY 637 2HA GLY 637 191.922 -3.836 3.778 337 H LYS 638 H LYS 638 190.680 -1.301 1.743 338 HA LYS 638 HA LYS 638 192.976 -1.694 -0.046 339 1HB LYS 638 1HB LYS 638 190.200 -0.641 -0.618 340 2HB LYS 638 2HB LYS 638 191.485 -0.779 -1.809 341 1HG LYS 638 1HG LYS 638 190.176 -3.041 -0.314 342 2HG LYS 638 2HG LYS 638 189.960 -2.634 -2.018 343 1HD LYS 638 1HD LYS 638 192.612 -2.887 -1.997 344 2HD LYS 638 2HD LYS 638 192.234 -3.959 -0.648 345 1HE LYS 638 1HE LYS 638 192.366 -5.082 -2.884 346 2HE LYS 638 2HE LYS 638 190.849 -5.328 -2.019 347 1HZ LYS 638 1HZ LYS 638 191.014 -4.551 -4.571 348 2HZ LYS 638 2HZ LYS 638 190.898 -3.047 -3.806 349 3HZ LYS 638 3HZ LYS 638 189.694 -4.211 -3.568 350 H MET 639 H MET 639 194.410 -0.232 0.873 351 HA MET 639 HA MET 639 193.818 2.397 1.631 352 1HB MET 639 1HB MET 639 195.892 1.182 2.243 353 2HB MET 639 2HB MET 639 196.446 1.331 0.581 354 1HG MET 639 1HG MET 639 197.313 3.310 1.024 355 2HG MET 639 2HG MET 639 195.731 3.916 1.510 356 1HE MET 639 1HE MET 639 194.995 3.187 4.600 357 2HE MET 639 2HE MET 639 195.024 4.524 3.449 358 3HE MET 639 3HE MET 639 195.916 4.646 4.965 359 H THR 640 H THR 640 193.378 4.171 0.501 360 HA THR 640 HA THR 640 193.594 4.078 -2.405 361 HB THR 640 HB THR 640 192.217 6.127 -2.348 362 HG1 THR 640 HG1 THR 640 192.176 5.768 0.461 363 1HG2 THR 640 1HG2 THR 640 190.650 4.586 -0.453 364 2HG2 THR 640 2HG2 THR 640 191.341 3.602 -1.743 365 3HG2 THR 640 3HG2 THR 640 190.324 4.988 -2.139 366 H ASP 641 H ASP 641 193.950 6.550 -3.241 367 HA ASP 641 HA ASP 641 196.726 7.035 -2.735 368 1HB ASP 641 1HB ASP 641 195.159 7.417 -4.896 369 2HB ASP 641 2HB ASP 641 195.154 9.050 -4.236 370 H LEU 642 H LEU 642 193.962 7.989 -1.115 371 HA LEU 642 HA LEU 642 194.852 10.646 -0.411 372 1HB LEU 642 1HB LEU 642 192.586 8.956 0.649 373 2HB LEU 642 2HB LEU 642 192.888 10.621 1.107 374 HG LEU 642 HG LEU 642 191.128 10.621 -0.502 375 1HD1 LEU 642 1HD1 LEU 642 192.810 12.403 -0.713 376 2HD1 LEU 642 2HD1 LEU 642 192.053 12.006 -2.257 377 3HD1 LEU 642 3HD1 LEU 642 193.678 11.422 -1.896 378 1HD2 LEU 642 1HD2 LEU 642 191.894 8.332 -1.424 379 2HD2 LEU 642 2HD2 LEU 642 192.865 9.289 -2.543 380 3HD2 LEU 642 3HD2 LEU 642 191.112 9.474 -2.518 381 H GLY 643 H GLY 643 194.892 7.426 0.974 382 1HA GLY 643 1HA GLY 643 196.752 6.905 2.470 383 2HA GLY 643 2HA GLY 643 196.531 8.493 3.189 384 H ARG 644 H ARG 644 193.708 6.670 2.398 385 HA ARG 644 HA ARG 644 193.440 5.796 5.192 386 1HB ARG 644 1HB ARG 644 191.434 7.342 3.556 387 2HB ARG 644 2HB ARG 644 190.988 6.440 4.998 388 1HG ARG 644 1HG ARG 644 193.029 7.897 5.972 389 2HG ARG 644 2HG ARG 644 192.426 8.992 4.725 390 1HD ARG 644 1HD ARG 644 190.096 8.350 5.798 391 2HD ARG 644 2HD ARG 644 191.105 8.012 7.205 392 HE ARG 644 HE ARG 644 191.439 10.265 7.469 393 1HH1 ARG 644 1HH1 ARG 644 190.085 9.679 4.307 394 2HH1 ARG 644 2HH1 ARG 644 189.821 11.357 3.971 395 1HH2 ARG 644 1HH2 ARG 644 191.093 12.473 7.030 396 2HH2 ARG 644 2HH2 ARG 644 190.393 12.943 5.516 397 H LEU 645 H LEU 645 192.097 3.983 5.532 398 HA LEU 645 HA LEU 645 191.956 2.222 3.225 399 1HB LEU 645 1HB LEU 645 191.600 1.809 6.182 400 2HB LEU 645 2HB LEU 645 191.204 0.555 5.023 401 HG LEU 645 HG LEU 645 193.921 1.769 5.516 402 1HD1 LEU 645 1HD1 LEU 645 194.481 -0.149 6.598 403 2HD1 LEU 645 2HD1 LEU 645 193.348 -1.134 5.675 404 3HD1 LEU 645 3HD1 LEU 645 192.762 -0.111 6.986 405 1HD2 LEU 645 1HD2 LEU 645 192.845 0.243 3.234 406 2HD2 LEU 645 2HD2 LEU 645 194.395 -0.306 3.871 407 3HD2 LEU 645 3HD2 LEU 645 194.208 1.358 3.316 408 H GLY 646 H GLY 646 190.092 1.264 2.438 409 1HA GLY 646 1HA GLY 646 187.529 2.067 3.603 410 2HA GLY 646 2HA GLY 646 187.852 2.545 1.944 411 H ALA 647 H ALA 647 185.904 1.287 1.491 412 HA ALA 647 HA ALA 647 186.558 -1.562 1.166 413 1HB ALA 647 1HB ALA 647 184.670 -0.700 2.900 414 2HB ALA 647 2HB ALA 647 184.641 -2.273 2.101 415 3HB ALA 647 3HB ALA 647 183.703 -0.931 1.443 416 H PHE 648 H PHE 648 185.797 -2.579 -0.725 417 HA PHE 648 HA PHE 648 184.526 -0.826 -2.715 418 1HB PHE 648 1HB PHE 648 187.010 -2.498 -3.116 419 2HB PHE 648 2HB PHE 648 186.059 -1.847 -4.447 420 HD1 PHE 648 HD1 PHE 648 188.159 -0.953 -1.552 421 HD2 PHE 648 HD2 PHE 648 186.246 0.417 -5.098 422 HE1 PHE 648 HE1 PHE 648 189.418 1.156 -1.411 423 HE2 PHE 648 HE2 PHE 648 187.502 2.529 -4.964 424 HZ PHE 648 HZ PHE 648 189.091 2.900 -3.120 425 H ILE 649 H ILE 649 183.008 -1.798 -3.981 426 HA ILE 649 HA ILE 649 182.100 -4.394 -3.194 427 HB ILE 649 HB ILE 649 181.153 -2.585 -5.423 428 1HG1 ILE 649 1HG1 ILE 649 179.695 -3.152 -2.857 429 2HG1 ILE 649 2HG1 ILE 649 180.948 -1.914 -2.914 430 1HG2 ILE 649 1HG2 ILE 649 180.577 -4.896 -5.905 431 2HG2 ILE 649 2HG2 ILE 649 179.136 -3.981 -5.463 432 3HG2 ILE 649 3HG2 ILE 649 179.878 -5.075 -4.295 433 1HD1 ILE 649 1HD1 ILE 649 178.895 -1.779 -5.022 434 2HD1 ILE 649 2HD1 ILE 649 179.669 -0.490 -4.098 435 3HD1 ILE 649 3HD1 ILE 649 178.360 -1.429 -3.378 436 H THR 650 H THR 650 182.829 -6.265 -3.953 437 HA THR 650 HA THR 650 184.499 -6.346 -6.304 438 HB THR 650 HB THR 650 185.097 -8.511 -5.669 439 HG1 THR 650 HG1 THR 650 183.734 -9.916 -4.901 440 1HG2 THR 650 1HG2 THR 650 185.745 -6.902 -3.917 441 2HG2 THR 650 2HG2 THR 650 185.502 -8.539 -3.308 442 3HG2 THR 650 3HG2 THR 650 184.269 -7.307 -3.041 443 H LYS 651 H LYS 651 181.226 -7.273 -5.444 444 HA LYS 651 HA LYS 651 180.499 -7.466 -8.203 445 1HB LYS 651 1HB LYS 651 179.866 -9.783 -8.290 446 2HB LYS 651 2HB LYS 651 181.559 -9.683 -7.831 447 1HG LYS 651 1HG LYS 651 180.738 -9.890 -5.422 448 2HG LYS 651 2HG LYS 651 179.197 -10.388 -6.124 449 1HD LYS 651 1HD LYS 651 181.812 -11.701 -6.832 450 2HD LYS 651 2HD LYS 651 180.802 -12.247 -5.491 451 1HE LYS 651 1HE LYS 651 179.679 -11.924 -8.253 452 2HE LYS 651 2HE LYS 651 180.535 -13.392 -7.784 453 1HZ LYS 651 1HZ LYS 651 178.100 -13.520 -7.491 454 2HZ LYS 651 2HZ LYS 651 178.192 -12.296 -6.328 455 3HZ LYS 651 3HZ LYS 651 178.956 -13.781 -6.053 456 H VAL 652 H VAL 652 178.247 -7.710 -8.548 457 HA VAL 652 HA VAL 652 176.582 -7.372 -6.140 458 HB VAL 652 HB VAL 652 175.192 -6.008 -8.100 459 1HG1 VAL 652 1HG1 VAL 652 177.040 -4.864 -6.013 460 2HG1 VAL 652 2HG1 VAL 652 175.374 -5.386 -5.756 461 3HG1 VAL 652 3HG1 VAL 652 175.714 -4.011 -6.807 462 1HG2 VAL 652 1HG2 VAL 652 177.441 -6.120 -9.377 463 2HG2 VAL 652 2HG2 VAL 652 177.956 -4.876 -8.238 464 3HG2 VAL 652 3HG2 VAL 652 176.573 -4.587 -9.294 465 H LYS 653 H LYS 653 174.797 -8.608 -6.049 466 HA LYS 653 HA LYS 653 174.355 -10.550 -8.127 467 1HB LYS 653 1HB LYS 653 173.643 -10.228 -5.342 468 2HB LYS 653 2HB LYS 653 172.237 -10.698 -6.288 469 1HG LYS 653 1HG LYS 653 174.859 -12.159 -6.421 470 2HG LYS 653 2HG LYS 653 173.575 -12.576 -5.285 471 1HD LYS 653 1HD LYS 653 172.731 -13.876 -6.888 472 2HD LYS 653 2HD LYS 653 172.281 -12.394 -7.732 473 1HE LYS 653 1HE LYS 653 174.497 -12.409 -8.842 474 2HE LYS 653 2HE LYS 653 174.841 -13.953 -8.064 475 1HZ LYS 653 1HZ LYS 653 173.815 -13.793 -10.477 476 2HZ LYS 653 2HZ LYS 653 172.368 -13.754 -9.602 477 3HZ LYS 653 3HZ LYS 653 173.428 -15.060 -9.423 478 H LYS 654 H LYS 654 173.387 -9.871 -9.935 479 HA LYS 654 HA LYS 654 171.711 -7.682 -10.233 480 1HB LYS 654 1HB LYS 654 172.539 -9.953 -11.848 481 2HB LYS 654 2HB LYS 654 170.883 -9.475 -12.199 482 1HG LYS 654 1HG LYS 654 171.835 -8.033 -13.615 483 2HG LYS 654 2HG LYS 654 172.122 -7.064 -12.169 484 1HD LYS 654 1HD LYS 654 174.352 -7.794 -11.993 485 2HD LYS 654 2HD LYS 654 174.089 -9.130 -13.115 486 1HE LYS 654 1HE LYS 654 173.623 -6.372 -14.110 487 2HE LYS 654 2HE LYS 654 175.291 -6.878 -13.848 488 1HZ LYS 654 1HZ LYS 654 173.324 -8.354 -15.511 489 2HZ LYS 654 2HZ LYS 654 174.965 -8.722 -15.328 490 3HZ LYS 654 3HZ LYS 654 174.500 -7.302 -16.120 491 H GLY 655 H GLY 655 169.949 -7.402 -8.990 492 1HA GLY 655 1HA GLY 655 167.516 -7.910 -9.136 493 2HA GLY 655 2HA GLY 655 167.969 -9.597 -8.945 494 H SER 656 H SER 656 170.063 -8.848 -6.954 495 HA SER 656 HA SER 656 168.557 -9.235 -4.625 496 1HB SER 656 1HB SER 656 170.672 -8.720 -3.422 497 2HB SER 656 2HB SER 656 170.898 -9.877 -4.733 498 HG SER 656 HG SER 656 171.457 -7.095 -4.824 499 H LEU 657 H LEU 657 168.711 -7.739 -2.681 500 HA LEU 657 HA LEU 657 167.274 -5.409 -3.172 501 1HB LEU 657 1HB LEU 657 168.914 -6.249 -0.794 502 2HB LEU 657 2HB LEU 657 167.933 -4.797 -0.808 503 HG LEU 657 HG LEU 657 166.491 -7.236 -1.586 504 1HD1 LEU 657 1HD1 LEU 657 167.304 -8.522 0.050 505 2HD1 LEU 657 2HD1 LEU 657 166.369 -7.489 1.132 506 3HD1 LEU 657 3HD1 LEU 657 168.081 -7.163 0.862 507 1HD2 LEU 657 1HD2 LEU 657 165.134 -6.079 0.451 508 2HD2 LEU 657 2HD2 LEU 657 164.979 -5.609 -1.242 509 3HD2 LEU 657 3HD2 LEU 657 166.046 -4.703 -0.168 510 H ALA 658 H ALA 658 170.711 -5.790 -2.408 511 HA ALA 658 HA ALA 658 171.531 -3.180 -2.295 512 1HB ALA 658 1HB ALA 658 172.854 -5.415 -2.080 513 2HB ALA 658 2HB ALA 658 173.686 -3.938 -2.568 514 3HB ALA 658 3HB ALA 658 173.226 -5.134 -3.782 515 H ASP 659 H ASP 659 170.844 -5.080 -5.170 516 HA ASP 659 HA ASP 659 171.806 -3.061 -6.973 517 1HB ASP 659 1HB ASP 659 171.078 -5.795 -7.154 518 2HB ASP 659 2HB ASP 659 170.064 -4.909 -8.289 519 H VAL 660 H VAL 660 168.592 -4.299 -6.126 520 HA VAL 660 HA VAL 660 167.214 -2.422 -7.753 521 HB VAL 660 HB VAL 660 165.232 -3.099 -6.152 522 1HG1 VAL 660 1HG1 VAL 660 164.911 -3.849 -8.259 523 2HG1 VAL 660 2HG1 VAL 660 165.314 -5.399 -7.520 524 3HG1 VAL 660 3HG1 VAL 660 166.546 -4.494 -8.399 525 1HG2 VAL 660 1HG2 VAL 660 167.224 -4.353 -4.789 526 2HG2 VAL 660 2HG2 VAL 660 166.633 -5.656 -5.816 527 3HG2 VAL 660 3HG2 VAL 660 165.524 -4.816 -4.732 528 H VAL 661 H VAL 661 167.509 -2.590 -4.178 529 HA VAL 661 HA VAL 661 166.398 0.069 -3.959 530 HB VAL 661 HB VAL 661 165.829 -1.627 -2.281 531 1HG1 VAL 661 1HG1 VAL 661 167.542 -3.011 -1.791 532 2HG1 VAL 661 2HG1 VAL 661 167.827 -1.838 -0.505 533 3HG1 VAL 661 3HG1 VAL 661 168.763 -1.756 -1.997 534 1HG2 VAL 661 1HG2 VAL 661 166.146 0.963 -1.857 535 2HG2 VAL 661 2HG2 VAL 661 167.383 0.384 -0.740 536 3HG2 VAL 661 3HG2 VAL 661 165.710 -0.141 -0.552 537 H GLY 662 H GLY 662 169.565 -1.402 -3.898 538 1HA GLY 662 1HA GLY 662 170.802 1.048 -2.905 539 2HA GLY 662 2HA GLY 662 171.629 -0.461 -3.263 540 H HIS 663 H HIS 663 171.004 -0.986 -5.811 541 HA HIS 663 HA HIS 663 171.495 -0.506 -7.972 542 1HB HIS 663 1HB HIS 663 169.902 1.546 -7.171 543 2HB HIS 663 2HB HIS 663 171.334 2.425 -7.693 544 HD1 HIS 663 HD1 HIS 663 171.585 2.795 -10.149 545 HD2 HIS 663 HD2 HIS 663 168.776 -0.139 -9.275 546 HE1 HIS 663 HE1 HIS 663 170.507 2.220 -12.347 547 HE2 HIS 663 HE2 HIS 663 168.751 0.505 -11.779 548 H LEU 664 H LEU 664 173.706 -1.169 -7.110 549 HA LEU 664 HA LEU 664 175.592 0.906 -7.920 550 1HB LEU 664 1HB LEU 664 177.143 -0.112 -6.057 551 2HB LEU 664 2HB LEU 664 176.042 1.203 -5.705 552 HG LEU 664 HG LEU 664 176.107 -0.573 -3.968 553 1HD1 LEU 664 1HD1 LEU 664 174.057 0.922 -4.707 554 2HD1 LEU 664 2HD1 LEU 664 173.919 -0.293 -3.436 555 3HD1 LEU 664 3HD1 LEU 664 173.359 -0.656 -5.068 556 1HD2 LEU 664 1HD2 LEU 664 175.535 -2.736 -4.340 557 2HD2 LEU 664 2HD2 LEU 664 176.212 -2.353 -5.925 558 3HD2 LEU 664 3HD2 LEU 664 174.463 -2.341 -5.684 559 H ARG 665 H ARG 665 177.881 -0.195 -8.088 560 HA ARG 665 HA ARG 665 177.589 -2.938 -9.067 561 1HB ARG 665 1HB ARG 665 178.532 -0.572 -10.661 562 2HB ARG 665 2HB ARG 665 179.044 -2.205 -11.066 563 1HG ARG 665 1HG ARG 665 176.771 -2.880 -11.451 564 2HG ARG 665 2HG ARG 665 176.173 -1.319 -10.888 565 1HD ARG 665 1HD ARG 665 177.659 -0.346 -12.771 566 2HD ARG 665 2HD ARG 665 177.632 -1.986 -13.416 567 HE ARG 665 HE ARG 665 175.002 -1.301 -12.906 568 1HH1 ARG 665 1HH1 ARG 665 177.598 -0.150 -14.937 569 2HH1 ARG 665 2HH1 ARG 665 176.538 0.446 -16.168 570 1HH2 ARG 665 1HH2 ARG 665 173.607 -0.518 -14.527 571 2HH2 ARG 665 2HH2 ARG 665 174.271 0.237 -15.936 572 H ALA 666 H ALA 666 179.664 -4.004 -9.487 573 HA ALA 666 HA ALA 666 181.408 -3.813 -7.332 574 1HB ALA 666 1HB ALA 666 181.062 -5.749 -8.963 575 2HB ALA 666 2HB ALA 666 182.702 -5.461 -8.376 576 3HB ALA 666 3HB ALA 666 182.237 -4.928 -9.991 577 H GLY 667 H GLY 667 182.978 -2.441 -6.842 578 1HA GLY 667 1HA GLY 667 185.101 -1.440 -7.718 579 2HA GLY 667 2HA GLY 667 184.111 -0.794 -9.019 580 H ASP 668 H ASP 668 181.906 -0.363 -6.978 581 HA ASP 668 HA ASP 668 182.484 2.352 -6.422 582 1HB ASP 668 1HB ASP 668 180.269 0.466 -5.748 583 2HB ASP 668 2HB ASP 668 180.383 1.975 -4.846 584 H GLU 669 H GLU 669 183.107 3.371 -4.560 585 HA GLU 669 HA GLU 669 184.235 1.634 -2.490 586 1HB GLU 669 1HB GLU 669 185.674 3.338 -3.660 587 2HB GLU 669 2HB GLU 669 184.710 4.588 -2.886 588 1HG GLU 669 1HG GLU 669 185.364 3.663 -0.685 589 2HG GLU 669 2HG GLU 669 186.417 2.522 -1.519 590 H VAL 670 H VAL 670 183.042 1.311 -0.736 591 HA VAL 670 HA VAL 670 181.043 3.295 0.037 592 HB VAL 670 HB VAL 670 181.511 0.460 0.969 593 1HG1 VAL 670 1HG1 VAL 670 180.649 1.269 2.914 594 2HG1 VAL 670 2HG1 VAL 670 179.139 1.009 2.042 595 3HG1 VAL 670 3HG1 VAL 670 179.841 2.625 2.127 596 1HG2 VAL 670 1HG2 VAL 670 179.590 -0.118 -0.219 597 2HG2 VAL 670 2HG2 VAL 670 180.420 1.009 -1.295 598 3HG2 VAL 670 3HG2 VAL 670 179.044 1.556 -0.334 599 H LEU 671 H LEU 671 181.887 4.892 1.231 600 HA LEU 671 HA LEU 671 184.011 4.373 3.132 601 1HB LEU 671 1HB LEU 671 182.533 6.961 2.681 602 2HB LEU 671 2HB LEU 671 184.088 6.749 3.460 603 HG LEU 671 HG LEU 671 184.695 7.571 1.390 604 1HD1 LEU 671 1HD1 LEU 671 185.615 5.718 0.067 605 2HD1 LEU 671 2HD1 LEU 671 184.655 4.581 1.015 606 3HD1 LEU 671 3HD1 LEU 671 185.925 5.527 1.793 607 1HD2 LEU 671 1HD2 LEU 671 182.946 5.777 -0.209 608 2HD2 LEU 671 2HD2 LEU 671 183.527 7.404 -0.565 609 3HD2 LEU 671 3HD2 LEU 671 182.217 7.168 0.594 610 H GLU 672 H GLU 672 180.756 3.945 3.250 611 HA GLU 672 HA GLU 672 180.747 4.208 6.163 612 1HB GLU 672 1HB GLU 672 178.759 5.442 4.275 613 2HB GLU 672 2HB GLU 672 178.353 5.093 5.949 614 1HG GLU 672 1HG GLU 672 180.802 6.473 5.989 615 2HG GLU 672 2HG GLU 672 179.756 7.327 4.855 616 H TRP 673 H TRP 673 179.961 2.446 7.114 617 HA TRP 673 HA TRP 673 178.077 0.741 5.628 618 1HB TRP 673 1HB TRP 673 180.463 -0.143 5.639 619 2HB TRP 673 2HB TRP 673 180.282 -0.350 7.377 620 HD1 TRP 673 HD1 TRP 673 178.341 -2.147 8.168 621 HE1 TRP 673 HE1 TRP 673 177.542 -4.299 7.003 622 HE3 TRP 673 HE3 TRP 673 180.065 -1.200 3.457 623 HZ2 TRP 673 HZ2 TRP 673 177.653 -5.454 4.417 624 HZ3 TRP 673 HZ3 TRP 673 179.671 -2.867 1.699 625 HH2 TRP 673 HH2 TRP 673 178.487 -4.952 2.169 626 H ASN 674 H ASN 674 176.314 0.193 6.778 627 HA ASN 674 HA ASN 674 174.816 0.115 8.490 628 1HB ASN 674 1HB ASN 674 176.359 -1.705 9.199 629 2HB ASN 674 2HB ASN 674 177.253 -0.533 10.162 630 1HD2 ASN 674 1HD2 ASN 674 173.824 -1.309 9.654 631 2HD2 ASN 674 2HD2 ASN 674 173.429 -1.427 11.332 632 H GLY 675 H GLY 675 175.853 2.657 7.850 633 1HA GLY 675 1HA GLY 675 175.774 4.810 8.627 634 2HA GLY 675 2HA GLY 675 174.910 4.173 10.014 635 H LYS 676 H LYS 676 178.141 3.032 9.305 636 HA LYS 676 HA LYS 676 179.114 4.618 11.597 637 1HB LYS 676 1HB LYS 676 180.179 2.803 12.458 638 2HB LYS 676 2HB LYS 676 178.919 1.941 11.589 639 1HG LYS 676 1HG LYS 676 180.357 1.167 9.986 640 2HG LYS 676 2HG LYS 676 181.466 2.533 10.143 641 1HD LYS 676 1HD LYS 676 181.121 0.292 12.136 642 2HD LYS 676 2HD LYS 676 182.444 0.471 10.986 643 1HE LYS 676 1HE LYS 676 182.894 2.717 12.068 644 2HE LYS 676 2HE LYS 676 181.793 2.207 13.348 645 1HZ LYS 676 1HZ LYS 676 184.174 0.641 12.532 646 2HZ LYS 676 2HZ LYS 676 183.209 0.411 13.902 647 3HZ LYS 676 3HZ LYS 676 184.196 1.779 13.784 648 HA PRO 677 HA PRO 677 182.353 5.937 8.881 649 1HB PRO 677 1HB PRO 677 184.203 6.771 10.613 650 2HB PRO 677 2HB PRO 677 182.624 7.561 10.530 651 1HG PRO 677 1HG PRO 677 183.673 5.630 12.541 652 2HG PRO 677 2HG PRO 677 182.583 7.007 12.768 653 1HD PRO 677 1HD PRO 677 181.834 4.304 12.529 654 2HD PRO 677 2HD PRO 677 180.752 5.706 12.436 655 H LEU 678 H LEU 678 183.493 4.562 7.696 656 HA LEU 678 HA LEU 678 185.039 2.423 8.926 657 1HB LEU 678 1HB LEU 678 184.494 2.986 6.013 658 2HB LEU 678 2HB LEU 678 185.261 1.546 6.658 659 HG LEU 678 HG LEU 678 182.431 2.372 7.297 660 1HD1 LEU 678 1HD1 LEU 678 181.859 1.645 5.282 661 2HD1 LEU 678 2HD1 LEU 678 182.428 0.043 5.753 662 3HD1 LEU 678 3HD1 LEU 678 183.517 1.158 4.927 663 1HD2 LEU 678 1HD2 LEU 678 183.209 -0.430 7.551 664 2HD2 LEU 678 2HD2 LEU 678 182.325 0.613 8.668 665 3HD2 LEU 678 3HD2 LEU 678 184.090 0.644 8.639 666 HA PRO 679 HA PRO 679 188.168 5.242 6.096 667 1HB PRO 679 1HB PRO 679 187.402 7.518 7.893 668 2HB PRO 679 2HB PRO 679 188.077 7.558 6.258 669 1HG PRO 679 1HG PRO 679 185.478 7.938 6.638 670 2HG PRO 679 2HG PRO 679 186.057 6.972 5.269 671 1HD PRO 679 1HD PRO 679 184.744 6.097 7.782 672 2HD PRO 679 2HD PRO 679 184.711 5.350 6.172 673 H GLY 680 H GLY 680 189.859 4.209 6.942 674 1HA GLY 680 1HA GLY 680 191.788 4.494 8.395 675 2HA GLY 680 2HA GLY 680 190.676 4.929 9.685 676 H ALA 681 H ALA 681 189.023 2.550 8.360 677 HA ALA 681 HA ALA 681 190.186 0.546 10.147 678 1HB ALA 681 1HB ALA 681 187.534 1.328 9.518 679 2HB ALA 681 2HB ALA 681 188.074 0.108 10.670 680 3HB ALA 681 3HB ALA 681 187.740 -0.345 8.998 681 H THR 682 H THR 682 191.087 -1.299 9.431 682 HA THR 682 HA THR 682 191.489 -1.601 6.576 683 HB THR 682 HB THR 682 193.440 -1.922 7.898 684 HG1 THR 682 HG1 THR 682 193.541 -3.425 6.350 685 1HG2 THR 682 1HG2 THR 682 191.656 -3.308 9.719 686 2HG2 THR 682 2HG2 THR 682 193.194 -2.500 10.020 687 3HG2 THR 682 3HG2 THR 682 193.172 -4.164 9.435 688 H ASN 683 H ASN 683 191.597 -4.130 5.960 689 HA ASN 683 HA ASN 683 188.995 -4.964 5.562 690 1HB ASN 683 1HB ASN 683 189.947 -7.150 4.935 691 2HB ASN 683 2HB ASN 683 190.867 -5.816 4.246 692 1HD2 ASN 683 1HD2 ASN 683 191.768 -8.487 4.646 693 2HD2 ASN 683 2HD2 ASN 683 193.102 -8.422 5.741 694 H GLU 684 H GLU 684 191.234 -5.901 8.142 695 HA GLU 684 HA GLU 684 189.549 -7.852 9.301 696 1HB GLU 684 1HB GLU 684 192.118 -6.715 9.836 697 2HB GLU 684 2HB GLU 684 191.182 -6.703 11.324 698 1HG GLU 684 1HG GLU 684 191.008 -9.002 11.392 699 2HG GLU 684 2HG GLU 684 191.304 -9.179 9.663 700 H GLU 685 H GLU 685 189.916 -4.389 9.822 701 HA GLU 685 HA GLU 685 188.288 -4.204 12.114 702 1HB GLU 685 1HB GLU 685 189.691 -2.414 10.442 703 2HB GLU 685 2HB GLU 685 188.018 -1.877 10.431 704 1HG GLU 685 1HG GLU 685 188.368 -0.874 12.367 705 2HG GLU 685 2HG GLU 685 188.626 -2.454 13.106 706 H VAL 686 H VAL 686 187.507 -3.386 8.737 707 HA VAL 686 HA VAL 686 184.809 -3.025 8.926 708 HB VAL 686 HB VAL 686 186.318 -4.380 6.688 709 1HG1 VAL 686 1HG1 VAL 686 184.451 -3.853 5.253 710 2HG1 VAL 686 2HG1 VAL 686 183.588 -3.105 6.596 711 3HG1 VAL 686 3HG1 VAL 686 183.897 -4.842 6.603 712 1HG2 VAL 686 1HG2 VAL 686 186.861 -2.339 5.891 713 2HG2 VAL 686 2HG2 VAL 686 186.671 -1.866 7.580 714 3HG2 VAL 686 3HG2 VAL 686 185.353 -1.606 6.437 715 H TYR 687 H TYR 687 186.538 -6.102 8.628 716 HA TYR 687 HA TYR 687 184.457 -7.862 8.279 717 1HB TYR 687 1HB TYR 687 186.936 -8.184 9.976 718 2HB TYR 687 2HB TYR 687 185.836 -9.504 9.611 719 HD1 TYR 687 HD1 TYR 687 188.627 -9.799 8.960 720 HD2 TYR 687 HD2 TYR 687 185.546 -7.952 6.683 721 HE1 TYR 687 HE1 TYR 687 189.879 -10.264 6.898 722 HE2 TYR 687 HE2 TYR 687 186.790 -8.411 4.615 723 HH TYR 687 HH TYR 687 190.048 -9.504 4.632 724 H ASN 688 H ASN 688 185.606 -6.453 11.305 725 HA ASN 688 HA ASN 688 183.667 -7.796 12.925 726 1HB ASN 688 1HB ASN 688 185.762 -5.737 13.344 727 2HB ASN 688 2HB ASN 688 184.427 -5.743 14.494 728 1HD2 ASN 688 1HD2 ASN 688 186.375 -8.198 12.821 729 2HD2 ASN 688 2HD2 ASN 688 186.745 -9.113 14.238 730 H ILE 689 H ILE 689 183.881 -4.652 11.361 731 HA ILE 689 HA ILE 689 181.651 -3.451 12.596 732 HB ILE 689 HB ILE 689 183.083 -2.941 10.002 733 1HG1 ILE 689 1HG1 ILE 689 183.445 -0.715 11.233 734 2HG1 ILE 689 2HG1 ILE 689 182.841 -1.545 12.660 735 1HG2 ILE 689 1HG2 ILE 689 180.608 -1.535 10.999 736 2HG2 ILE 689 2HG2 ILE 689 180.826 -2.373 9.462 737 3HG2 ILE 689 3HG2 ILE 689 181.692 -0.871 9.775 738 1HD1 ILE 689 1HD1 ILE 689 185.248 -2.301 11.032 739 2HD1 ILE 689 2HD1 ILE 689 184.652 -3.173 12.446 740 3HD1 ILE 689 3HD1 ILE 689 185.252 -1.523 12.612 741 H ILE 690 H ILE 690 181.857 -4.700 9.259 742 HA ILE 690 HA ILE 690 179.173 -4.638 8.652 743 HB ILE 690 HB ILE 690 181.214 -6.648 7.695 744 1HG1 ILE 690 1HG1 ILE 690 180.427 -3.880 6.814 745 2HG1 ILE 690 2HG1 ILE 690 182.032 -4.499 7.174 746 1HG2 ILE 690 1HG2 ILE 690 179.769 -7.001 5.785 747 2HG2 ILE 690 2HG2 ILE 690 178.604 -5.837 6.414 748 3HG2 ILE 690 3HG2 ILE 690 178.883 -7.354 7.268 749 1HD1 ILE 690 1HD1 ILE 690 182.309 -4.729 4.993 750 2HD1 ILE 690 2HD1 ILE 690 180.605 -4.418 4.677 751 3HD1 ILE 690 3HD1 ILE 690 181.146 -6.052 5.053 752 H LEU 691 H LEU 691 180.972 -7.463 9.913 753 HA LEU 691 HA LEU 691 178.920 -9.276 10.082 754 1HB LEU 691 1HB LEU 691 181.414 -8.819 11.612 755 2HB LEU 691 2HB LEU 691 180.239 -9.901 12.333 756 HG LEU 691 HG LEU 691 180.550 -11.527 10.760 757 1HD1 LEU 691 1HD1 LEU 691 181.506 -11.036 8.467 758 2HD1 LEU 691 2HD1 LEU 691 181.281 -9.327 8.847 759 3HD1 LEU 691 3HD1 LEU 691 179.889 -10.409 8.792 760 1HD2 LEU 691 1HD2 LEU 691 182.979 -10.091 11.428 761 2HD2 LEU 691 2HD2 LEU 691 183.132 -11.007 9.928 762 3HD2 LEU 691 3HD2 LEU 691 182.656 -11.824 11.417 763 H GLU 692 H GLU 692 179.818 -6.857 12.494 764 HA GLU 692 HA GLU 692 177.879 -7.498 14.411 765 1HB GLU 692 1HB GLU 692 179.464 -5.040 13.780 766 2HB GLU 692 2HB GLU 692 178.159 -4.938 14.954 767 1HG GLU 692 1HG GLU 692 179.516 -7.164 15.781 768 2HG GLU 692 2HG GLU 692 180.811 -6.121 15.193 769 H SER 693 H SER 693 177.647 -5.813 11.398 770 HA SER 693 HA SER 693 175.029 -4.709 12.034 771 1HB SER 693 1HB SER 693 175.219 -3.414 10.101 772 2HB SER 693 2HB SER 693 176.892 -3.541 10.645 773 HG SER 693 HG SER 693 177.274 -5.072 9.089 774 H LYS 694 H LYS 694 176.278 -7.593 10.802 775 HA LYS 694 HA LYS 694 174.351 -8.214 8.829 776 1HB LYS 694 1HB LYS 694 176.247 -9.831 10.490 777 2HB LYS 694 2HB LYS 694 175.017 -10.647 9.539 778 1HG LYS 694 1HG LYS 694 176.076 -8.923 7.713 779 2HG LYS 694 2HG LYS 694 177.485 -9.332 8.694 780 1HD LYS 694 1HD LYS 694 175.635 -11.451 7.645 781 2HD LYS 694 2HD LYS 694 176.955 -10.813 6.663 782 1HE LYS 694 1HE LYS 694 178.530 -11.883 7.863 783 2HE LYS 694 2HE LYS 694 177.709 -11.582 9.394 784 1HZ LYS 694 1HZ LYS 694 176.589 -13.537 7.502 785 2HZ LYS 694 2HZ LYS 694 176.439 -13.469 9.186 786 3HZ LYS 694 3HZ LYS 694 177.892 -13.981 8.488 787 H SER 695 H SER 695 174.313 -8.318 12.298 788 HA SER 695 HA SER 695 172.068 -10.069 12.544 789 1HB SER 695 1HB SER 695 172.915 -8.073 14.633 790 2HB SER 695 2HB SER 695 172.186 -9.662 14.861 791 HG SER 695 HG SER 695 174.432 -9.675 15.301 792 H GLU 696 H GLU 696 172.468 -6.700 11.910 793 HA GLU 696 HA GLU 696 169.815 -5.959 12.763 794 1HB GLU 696 1HB GLU 696 172.009 -4.502 11.298 795 2HB GLU 696 2HB GLU 696 170.423 -3.788 11.556 796 1HG GLU 696 1HG GLU 696 171.906 -4.877 13.893 797 2HG GLU 696 2HG GLU 696 172.400 -3.330 13.206 798 HA PRO 697 HA PRO 697 167.868 -7.075 8.933 799 1HB PRO 697 1HB PRO 697 165.488 -5.878 9.289 800 2HB PRO 697 2HB PRO 697 165.972 -7.294 10.234 801 1HG PRO 697 1HG PRO 697 166.025 -4.399 10.996 802 2HG PRO 697 2HG PRO 697 165.503 -5.799 11.952 803 1HD PRO 697 1HD PRO 697 167.958 -4.623 12.209 804 2HD PRO 697 2HD PRO 697 167.647 -6.333 12.566 805 H GLN 698 H GLN 698 168.897 -3.973 9.708 806 HA GLN 698 HA GLN 698 168.379 -3.077 6.970 807 1HB GLN 698 1HB GLN 698 166.636 -2.085 8.429 808 2HB GLN 698 2HB GLN 698 167.900 -1.349 9.403 809 1HG GLN 698 1HG GLN 698 168.430 -0.590 6.760 810 2HG GLN 698 2HG GLN 698 166.690 -0.417 6.979 811 1HE2 GLN 698 1HE2 GLN 698 169.415 1.262 7.064 812 2HE2 GLN 698 2HE2 GLN 698 169.047 2.431 8.281 813 H VAL 699 H VAL 699 169.926 -1.702 6.112 814 HA VAL 699 HA VAL 699 172.188 -0.944 7.805 815 HB VAL 699 HB VAL 699 172.443 -2.570 5.271 816 1HG1 VAL 699 1HG1 VAL 699 174.122 -0.855 5.187 817 2HG1 VAL 699 2HG1 VAL 699 174.899 -2.374 5.647 818 3HG1 VAL 699 3HG1 VAL 699 174.567 -1.149 6.870 819 1HG2 VAL 699 1HG2 VAL 699 172.723 -3.136 8.152 820 2HG2 VAL 699 2HG2 VAL 699 173.965 -3.819 7.102 821 3HG2 VAL 699 3HG2 VAL 699 172.266 -4.202 6.824 822 H GLU 700 H GLU 700 173.375 0.805 7.056 823 HA GLU 700 HA GLU 700 172.283 2.189 4.695 824 1HB GLU 700 1HB GLU 700 171.520 3.328 6.706 825 2HB GLU 700 2HB GLU 700 173.163 3.396 7.326 826 1HG GLU 700 1HG GLU 700 173.820 4.941 5.638 827 2HG GLU 700 2HG GLU 700 172.291 4.739 4.783 828 H ILE 701 H ILE 701 173.824 1.982 3.179 829 HA ILE 701 HA ILE 701 176.613 2.444 3.996 830 HB ILE 701 HB ILE 701 177.037 1.301 1.659 831 1HG1 ILE 701 1HG1 ILE 701 174.348 0.196 2.501 832 2HG1 ILE 701 2HG1 ILE 701 174.721 1.040 1.003 833 1HG2 ILE 701 1HG2 ILE 701 177.184 -0.887 2.859 834 2HG2 ILE 701 2HG2 ILE 701 176.388 -0.115 4.231 835 3HG2 ILE 701 3HG2 ILE 701 177.959 0.467 3.681 836 1HD1 ILE 701 1HD1 ILE 701 175.919 -0.775 0.148 837 2HD1 ILE 701 2HD1 ILE 701 174.492 -1.488 0.905 838 3HD1 ILE 701 3HD1 ILE 701 176.052 -1.540 1.732 839 H ILE 702 H ILE 702 177.813 3.938 2.990 840 HA ILE 702 HA ILE 702 176.506 5.505 0.863 841 HB ILE 702 HB ILE 702 178.569 6.642 2.730 842 1HG1 ILE 702 1HG1 ILE 702 176.824 5.867 4.201 843 2HG1 ILE 702 2HG1 ILE 702 176.660 7.611 4.032 844 1HG2 ILE 702 1HG2 ILE 702 177.671 7.660 0.465 845 2HG2 ILE 702 2HG2 ILE 702 178.021 8.677 1.861 846 3HG2 ILE 702 3HG2 ILE 702 176.359 8.204 1.510 847 1HD1 ILE 702 1HD1 ILE 702 174.705 7.445 2.851 848 2HD1 ILE 702 2HD1 ILE 702 174.572 6.055 3.926 849 3HD1 ILE 702 3HD1 ILE 702 175.072 5.828 2.251 850 H VAL 703 H VAL 703 177.765 6.201 -0.864 851 HA VAL 703 HA VAL 703 180.499 5.111 -0.977 852 HB VAL 703 HB VAL 703 180.076 4.704 -3.438 853 1HG1 VAL 703 1HG1 VAL 703 179.108 2.522 -3.062 854 2HG1 VAL 703 2HG1 VAL 703 178.463 3.043 -1.506 855 3HG1 VAL 703 3HG1 VAL 703 180.207 2.923 -1.743 856 1HG2 VAL 703 1HG2 VAL 703 178.050 6.037 -3.664 857 2HG2 VAL 703 2HG2 VAL 703 177.203 4.960 -2.555 858 3HG2 VAL 703 3HG2 VAL 703 177.748 4.362 -4.122 859 H SER 704 H SER 704 181.566 6.003 -3.118 860 HA SER 704 HA SER 704 180.848 8.756 -3.680 861 1HB SER 704 1HB SER 704 182.233 8.949 -1.647 862 2HB SER 704 2HB SER 704 183.532 8.073 -2.455 863 HG SER 704 HG SER 704 183.151 10.642 -2.479 864 H ARG 705 H ARG 705 180.872 8.768 -5.827 865 HA ARG 705 HA ARG 705 183.207 7.622 -7.200 866 1HB ARG 705 1HB ARG 705 181.131 6.172 -7.358 867 2HB ARG 705 2HB ARG 705 180.398 7.471 -8.291 868 1HG ARG 705 1HG ARG 705 182.981 6.823 -9.363 869 2HG ARG 705 2HG ARG 705 181.990 5.370 -9.230 870 1HD ARG 705 1HD ARG 705 181.060 7.932 -10.513 871 2HD ARG 705 2HD ARG 705 181.776 6.590 -11.404 872 HE ARG 705 HE ARG 705 179.107 6.752 -10.371 873 1HH1 ARG 705 1HH1 ARG 705 181.677 4.567 -11.267 874 2HH1 ARG 705 2HH1 ARG 705 180.610 3.237 -11.568 875 1HH2 ARG 705 1HH2 ARG 705 177.703 5.003 -10.766 876 2HH2 ARG 705 2HH2 ARG 705 178.353 3.484 -11.284 877 H GLU 943 H GLU 943 189.784 -12.663 -5.122 878 HA GLU 943 HA GLU 943 190.714 -11.875 -3.183 879 1HB GLU 943 1HB GLU 943 192.130 -10.217 -4.618 880 2HB GLU 943 2HB GLU 943 190.823 -9.087 -4.295 881 1HG GLU 943 1HG GLU 943 192.279 -8.597 -2.599 882 2HG GLU 943 2HG GLU 943 191.217 -9.766 -1.814 883 H GLU 944 H GLU 944 189.108 -11.794 -1.764 884 HA GLU 944 HA GLU 944 186.883 -9.928 -2.248 885 1HB GLU 944 1HB GLU 944 185.311 -11.578 -1.409 886 2HB GLU 944 2HB GLU 944 186.199 -12.241 -2.774 887 1HG GLU 944 1HG GLU 944 187.456 -12.812 -0.213 888 2HG GLU 944 2HG GLU 944 185.820 -13.455 -0.344 889 H GLY 945 H GLY 945 185.551 -9.621 -0.183 890 1HA GLY 945 1HA GLY 945 187.377 -9.532 2.139 891 2HA GLY 945 2HA GLY 945 186.321 -8.191 1.722 892 H ILE 946 H ILE 946 183.942 -8.739 1.659 893 HA ILE 946 HA ILE 946 183.226 -10.875 3.531 894 HB ILE 946 HB ILE 946 181.809 -8.287 3.917 895 1HG1 ILE 946 1HG1 ILE 946 184.441 -8.850 5.297 896 2HG1 ILE 946 2HG1 ILE 946 184.287 -7.756 3.924 897 1HG2 ILE 946 1HG2 ILE 946 182.125 -10.835 5.250 898 2HG2 ILE 946 2HG2 ILE 946 180.893 -9.591 5.465 899 3HG2 ILE 946 3HG2 ILE 946 182.416 -9.487 6.350 900 1HD1 ILE 946 1HD1 ILE 946 183.519 -6.126 5.199 901 2HD1 ILE 946 2HD1 ILE 946 184.009 -7.100 6.580 902 3HD1 ILE 946 3HD1 ILE 946 182.353 -7.186 5.988 903 H TRP 947 H TRP 947 180.966 -11.384 3.554 904 HA TRP 947 HA TRP 947 179.762 -11.009 0.921 905 1HB TRP 947 1HB TRP 947 179.705 -13.103 2.938 906 2HB TRP 947 2HB TRP 947 178.089 -12.681 2.379 907 HD1 TRP 947 HD1 TRP 947 180.296 -15.264 1.678 908 HE1 TRP 947 HE1 TRP 947 180.307 -16.005 -0.788 909 HE3 TRP 947 HE3 TRP 947 178.087 -11.157 -0.424 910 HZ2 TRP 947 HZ2 TRP 947 179.488 -14.982 -3.291 911 HZ3 TRP 947 HZ3 TRP 947 177.737 -11.119 -2.859 912 HH2 TRP 947 HH2 TRP 947 178.425 -12.995 -4.260 913 H ALA 948 H ALA 948 178.220 -9.579 0.583 914 HA ALA 948 HA ALA 948 176.327 -8.926 2.688 915 1HB ALA 948 1HB ALA 948 177.854 -7.267 3.248 916 2HB ALA 948 2HB ALA 948 176.747 -6.434 2.156 917 3HB ALA 948 3HB ALA 948 178.315 -6.988 1.567 Start of MODEL 10 1 H HIS 597 H HIS 597 162.233 2.557 0.282 2 HA HIS 597 HA HIS 597 161.904 4.976 0.243 3 1HB HIS 597 1HB HIS 597 163.906 4.665 2.426 4 2HB HIS 597 2HB HIS 597 164.097 6.043 1.348 5 HD1 HIS 597 HD1 HIS 597 162.130 7.800 1.331 6 HD2 HIS 597 HD2 HIS 597 161.869 4.878 4.274 7 HE1 HIS 597 HE1 HIS 597 160.426 8.651 2.973 8 HE2 HIS 597 HE2 HIS 597 160.359 6.913 4.796 9 HA PRO 598 HA PRO 598 164.722 4.403 -3.128 10 1HB PRO 598 1HB PRO 598 164.605 6.841 -4.265 11 2HB PRO 598 2HB PRO 598 163.239 5.720 -4.312 12 1HG PRO 598 1HG PRO 598 163.703 8.066 -2.512 13 2HG PRO 598 2HG PRO 598 162.215 7.564 -3.334 14 1HD PRO 598 1HD PRO 598 162.735 7.038 -0.706 15 2HD PRO 598 2HD PRO 598 161.702 6.015 -1.723 16 H VAL 599 H VAL 599 166.684 5.439 -4.130 17 HA VAL 599 HA VAL 599 168.386 6.521 -1.998 18 HB VAL 599 HB VAL 599 168.940 4.825 -4.395 19 1HG1 VAL 599 1HG1 VAL 599 170.497 6.548 -4.848 20 2HG1 VAL 599 2HG1 VAL 599 171.405 5.284 -4.018 21 3HG1 VAL 599 3HG1 VAL 599 170.905 6.730 -3.142 22 1HG2 VAL 599 1HG2 VAL 599 170.492 3.792 -2.630 23 2HG2 VAL 599 2HG2 VAL 599 168.751 3.602 -2.420 24 3HG2 VAL 599 3HG2 VAL 599 169.627 4.811 -1.480 25 H THR 600 H THR 600 169.817 8.242 -2.418 26 HA THR 600 HA THR 600 169.254 9.825 -4.825 27 HB THR 600 HB THR 600 169.483 11.850 -3.166 28 HG1 THR 600 HG1 THR 600 168.707 11.398 -1.132 29 1HG2 THR 600 1HG2 THR 600 166.973 10.206 -3.347 30 2HG2 THR 600 2HG2 THR 600 167.481 11.489 -4.447 31 3HG2 THR 600 3HG2 THR 600 167.061 11.874 -2.779 32 H TRP 601 H TRP 601 170.890 11.341 -5.396 33 HA TRP 601 HA TRP 601 173.498 10.872 -4.114 34 1HB TRP 601 1HB TRP 601 173.001 11.087 -7.092 35 2HB TRP 601 2HB TRP 601 174.569 10.886 -6.317 36 HD1 TRP 601 HD1 TRP 601 171.336 8.949 -7.062 37 HE1 TRP 601 HE1 TRP 601 171.838 6.431 -6.878 38 HE3 TRP 601 HE3 TRP 601 176.119 9.200 -5.270 39 HZ2 TRP 601 HZ2 TRP 601 173.977 4.771 -6.079 40 HZ3 TRP 601 HZ3 TRP 601 177.322 7.101 -4.822 41 HH2 TRP 601 HH2 TRP 601 176.271 4.933 -5.219 42 H GLN 602 H GLN 602 174.375 12.695 -3.407 43 HA GLN 602 HA GLN 602 173.643 15.214 -4.749 44 1HB GLN 602 1HB GLN 602 173.920 16.340 -2.595 45 2HB GLN 602 2HB GLN 602 172.703 15.074 -2.493 46 1HG GLN 602 1HG GLN 602 174.463 13.583 -1.527 47 2HG GLN 602 2HG GLN 602 175.525 14.989 -1.460 48 1HE2 GLN 602 1HE2 GLN 602 174.979 13.663 0.824 49 2HE2 GLN 602 2HE2 GLN 602 173.938 14.600 1.835 50 HA PRO 603 HA PRO 603 177.909 15.819 -5.719 51 1HB PRO 603 1HB PRO 603 178.016 18.563 -5.548 52 2HB PRO 603 2HB PRO 603 177.386 17.678 -6.941 53 1HG PRO 603 1HG PRO 603 175.905 18.942 -4.670 54 2HG PRO 603 2HG PRO 603 175.516 18.943 -6.401 55 1HD PRO 603 1HD PRO 603 174.255 17.312 -4.690 56 2HD PRO 603 2HD PRO 603 174.663 16.787 -6.336 57 H SER 604 H SER 604 179.787 15.938 -4.659 58 HA SER 604 HA SER 604 179.856 15.980 -1.858 59 1HB SER 604 1HB SER 604 182.249 15.822 -2.056 60 2HB SER 604 2HB SER 604 181.543 14.877 -3.367 61 HG SER 604 HG SER 604 182.939 17.295 -3.457 62 H LYS 605 H LYS 605 181.654 17.480 -0.774 63 HA LYS 605 HA LYS 605 180.520 20.044 -0.616 64 1HB LYS 605 1HB LYS 605 181.748 19.028 1.241 65 2HB LYS 605 2HB LYS 605 183.237 19.098 0.308 66 1HG LYS 605 1HG LYS 605 183.014 21.577 0.262 67 2HG LYS 605 2HG LYS 605 181.636 21.421 1.353 68 1HD LYS 605 1HD LYS 605 182.943 21.020 3.138 69 2HD LYS 605 2HD LYS 605 184.036 19.980 2.224 70 1HE LYS 605 1HE LYS 605 184.047 22.950 1.829 71 2HE LYS 605 2HE LYS 605 184.930 22.214 3.167 72 1HZ LYS 605 1HZ LYS 605 185.999 20.763 1.417 73 2HZ LYS 605 2HZ LYS 605 186.454 22.392 1.412 74 3HZ LYS 605 3HZ LYS 605 185.353 21.819 0.264 75 H GLU 606 H GLU 606 183.656 19.039 -1.943 76 HA GLU 606 HA GLU 606 184.372 21.556 -2.951 77 1HB GLU 606 1HB GLU 606 185.277 18.756 -3.413 78 2HB GLU 606 2HB GLU 606 185.780 19.982 -4.569 79 1HG GLU 606 1HG GLU 606 187.245 20.891 -3.153 80 2HG GLU 606 2HG GLU 606 186.145 20.768 -1.781 81 H GLY 607 H GLY 607 182.311 19.057 -4.250 82 1HA GLY 607 1HA GLY 607 180.736 19.370 -5.953 83 2HA GLY 607 2HA GLY 607 181.562 20.852 -6.416 84 H ASP 608 H ASP 608 183.170 17.778 -5.957 85 HA ASP 608 HA ASP 608 183.566 17.589 -8.868 86 1HB ASP 608 1HB ASP 608 185.572 17.454 -6.646 87 2HB ASP 608 2HB ASP 608 185.854 16.540 -8.125 88 H ARG 609 H ARG 609 182.916 15.974 -5.868 89 HA ARG 609 HA ARG 609 182.818 13.399 -7.301 90 1HB ARG 609 1HB ARG 609 183.865 14.136 -4.671 91 2HB ARG 609 2HB ARG 609 182.762 12.768 -4.613 92 1HG ARG 609 1HG ARG 609 185.057 12.025 -4.856 93 2HG ARG 609 2HG ARG 609 184.106 11.602 -6.283 94 1HD ARG 609 1HD ARG 609 185.108 14.097 -6.898 95 2HD ARG 609 2HD ARG 609 186.437 13.328 -6.031 96 HE ARG 609 HE ARG 609 185.302 11.626 -8.028 97 1HH1 ARG 609 1HH1 ARG 609 187.535 14.257 -7.506 98 2HH1 ARG 609 2HH1 ARG 609 188.483 13.895 -8.909 99 1HH2 ARG 609 1HH2 ARG 609 186.548 11.149 -9.874 100 2HH2 ARG 609 2HH2 ARG 609 187.922 12.132 -10.255 101 H LEU 610 H LEU 610 181.066 11.986 -6.837 102 HA LEU 610 HA LEU 610 178.665 13.411 -5.906 103 1HB LEU 610 1HB LEU 610 179.185 11.877 -8.231 104 2HB LEU 610 2HB LEU 610 178.041 10.966 -7.263 105 HG LEU 610 HG LEU 610 176.902 12.390 -8.891 106 1HD1 LEU 610 1HD1 LEU 610 176.208 12.026 -6.321 107 2HD1 LEU 610 2HD1 LEU 610 175.212 12.896 -7.488 108 3HD1 LEU 610 3HD1 LEU 610 176.254 13.789 -6.379 109 1HD2 LEU 610 1HD2 LEU 610 178.673 14.153 -8.934 110 2HD2 LEU 610 2HD2 LEU 610 178.052 14.736 -7.391 111 3HD2 LEU 610 3HD2 LEU 610 177.026 14.773 -8.825 112 H ILE 611 H ILE 611 177.783 12.796 -4.049 113 HA ILE 611 HA ILE 611 178.462 10.130 -2.992 114 HB ILE 611 HB ILE 611 177.633 12.511 -1.340 115 1HG1 ILE 611 1HG1 ILE 611 179.711 13.097 -2.441 116 2HG1 ILE 611 2HG1 ILE 611 180.047 12.715 -0.756 117 1HG2 ILE 611 1HG2 ILE 611 177.633 9.900 -0.668 118 2HG2 ILE 611 2HG2 ILE 611 177.917 11.210 0.478 119 3HG2 ILE 611 3HG2 ILE 611 179.281 10.342 -0.225 120 1HD1 ILE 611 1HD1 ILE 611 180.469 10.309 -1.833 121 2HD1 ILE 611 2HD1 ILE 611 181.724 11.539 -1.692 122 3HD1 ILE 611 3HD1 ILE 611 180.869 11.322 -3.219 123 H GLY 612 H GLY 612 176.868 8.825 -2.205 124 1HA GLY 612 1HA GLY 612 174.112 9.855 -2.226 125 2HA GLY 612 2HA GLY 612 174.499 8.408 -3.146 126 H ARG 613 H ARG 613 172.576 8.513 -1.080 127 HA ARG 613 HA ARG 613 173.878 6.962 1.056 128 1HB ARG 613 1HB ARG 613 171.931 7.476 2.444 129 2HB ARG 613 2HB ARG 613 172.682 8.952 1.851 130 1HG ARG 613 1HG ARG 613 170.729 8.247 -0.042 131 2HG ARG 613 2HG ARG 613 169.988 8.036 1.547 132 1HD ARG 613 1HD ARG 613 171.297 10.406 1.855 133 2HD ARG 613 2HD ARG 613 170.825 10.481 0.158 134 HE ARG 613 HE ARG 613 168.628 10.672 0.802 135 1HH1 ARG 613 1HH1 ARG 613 170.558 9.738 3.557 136 2HH1 ARG 613 2HH1 ARG 613 169.280 10.000 4.697 137 1HH2 ARG 613 1HH2 ARG 613 166.949 11.016 2.300 138 2HH2 ARG 613 2HH2 ARG 613 167.232 10.725 3.984 139 H VAL 614 H VAL 614 173.638 4.816 0.918 140 HA VAL 614 HA VAL 614 171.276 3.808 -0.511 141 HB VAL 614 HB VAL 614 173.917 2.404 -0.118 142 1HG1 VAL 614 1HG1 VAL 614 172.729 1.181 -2.209 143 2HG1 VAL 614 2HG1 VAL 614 171.314 1.613 -1.249 144 3HG1 VAL 614 3HG1 VAL 614 172.593 0.627 -0.540 145 1HG2 VAL 614 1HG2 VAL 614 173.878 2.809 -2.728 146 2HG2 VAL 614 2HG2 VAL 614 174.530 4.014 -1.617 147 3HG2 VAL 614 3HG2 VAL 614 172.897 4.197 -2.258 148 H ILE 615 H ILE 615 169.809 2.766 0.612 149 HA ILE 615 HA ILE 615 170.528 1.680 3.250 150 HB ILE 615 HB ILE 615 167.669 1.881 2.503 151 1HG1 ILE 615 1HG1 ILE 615 168.508 3.998 1.595 152 2HG1 ILE 615 2HG1 ILE 615 167.546 4.280 3.042 153 1HG2 ILE 615 1HG2 ILE 615 169.369 2.010 4.908 154 2HG2 ILE 615 2HG2 ILE 615 167.798 1.247 4.665 155 3HG2 ILE 615 3HG2 ILE 615 167.901 2.987 4.937 156 1HD1 ILE 615 1HD1 ILE 615 169.473 4.715 4.342 157 2HD1 ILE 615 2HD1 ILE 615 169.643 5.633 2.845 158 3HD1 ILE 615 3HD1 ILE 615 170.544 4.133 3.069 159 H LEU 616 H LEU 616 170.737 -0.471 3.357 160 HA LEU 616 HA LEU 616 169.197 -2.096 1.445 161 1HB LEU 616 1HB LEU 616 172.053 -2.095 2.125 162 2HB LEU 616 2HB LEU 616 171.317 -3.688 2.096 163 HG LEU 616 HG LEU 616 171.267 -1.707 -0.181 164 1HD1 LEU 616 1HD1 LEU 616 173.091 -2.677 -1.054 165 2HD1 LEU 616 2HD1 LEU 616 172.625 -4.285 -0.502 166 3HD1 LEU 616 3HD1 LEU 616 173.413 -3.166 0.610 167 1HD2 LEU 616 1HD2 LEU 616 169.439 -3.642 0.312 168 2HD2 LEU 616 2HD2 LEU 616 170.630 -4.534 -0.634 169 3HD2 LEU 616 3HD2 LEU 616 169.889 -3.078 -1.298 170 H ASN 617 H ASN 617 168.473 -4.136 2.117 171 HA ASN 617 HA ASN 617 168.535 -4.638 5.011 172 1HB ASN 617 1HB ASN 617 166.144 -4.387 3.216 173 2HB ASN 617 2HB ASN 617 166.079 -5.448 4.620 174 1HD2 ASN 617 1HD2 ASN 617 166.316 -2.169 3.509 175 2HD2 ASN 617 2HD2 ASN 617 165.982 -1.416 5.027 176 H LYS 618 H LYS 618 169.249 -6.629 5.420 177 HA LYS 618 HA LYS 618 169.126 -8.632 3.283 178 1HB LYS 618 1HB LYS 618 170.803 -9.834 4.820 179 2HB LYS 618 2HB LYS 618 171.351 -8.402 3.960 180 1HG LYS 618 1HG LYS 618 171.531 -7.156 5.857 181 2HG LYS 618 2HG LYS 618 170.250 -8.039 6.691 182 1HD LYS 618 1HD LYS 618 172.179 -8.711 7.808 183 2HD LYS 618 2HD LYS 618 171.900 -10.022 6.659 184 1HE LYS 618 1HE LYS 618 174.229 -9.472 6.615 185 2HE LYS 618 2HE LYS 618 173.502 -8.915 5.109 186 1HZ LYS 618 1HZ LYS 618 173.936 -6.788 5.599 187 2HZ LYS 618 2HZ LYS 618 175.060 -7.413 6.697 188 3HZ LYS 618 3HZ LYS 618 173.523 -6.954 7.231 189 H ARG 619 H ARG 619 168.277 -8.080 6.649 190 HA ARG 619 HA ARG 619 167.531 -10.611 7.445 191 1HB ARG 619 1HB ARG 619 166.375 -9.606 9.197 192 2HB ARG 619 2HB ARG 619 167.554 -8.382 8.753 193 1HG ARG 619 1HG ARG 619 165.796 -6.999 8.775 194 2HG ARG 619 2HG ARG 619 165.454 -7.678 7.184 195 1HD ARG 619 1HD ARG 619 163.444 -8.144 8.067 196 2HD ARG 619 2HD ARG 619 164.279 -9.514 8.794 197 HE ARG 619 HE ARG 619 163.490 -7.034 10.133 198 1HH1 ARG 619 1HH1 ARG 619 164.944 -10.209 10.332 199 2HH1 ARG 619 2HH1 ARG 619 164.876 -10.262 12.059 200 1HH2 ARG 619 1HH2 ARG 619 163.406 -7.115 12.402 201 2HH2 ARG 619 2HH2 ARG 619 164.007 -8.509 13.233 202 H THR 620 H THR 620 165.889 -8.444 5.272 203 HA THR 620 HA THR 620 163.450 -10.017 5.279 204 HB THR 620 HB THR 620 162.597 -8.373 3.718 205 HG1 THR 620 HG1 THR 620 165.211 -7.276 3.699 206 1HG2 THR 620 1HG2 THR 620 164.211 -6.717 5.607 207 2HG2 THR 620 2HG2 THR 620 162.911 -7.754 6.193 208 3HG2 THR 620 3HG2 THR 620 162.563 -6.472 5.033 209 H THR 621 H THR 621 162.856 -11.487 3.784 210 HA THR 621 HA THR 621 164.872 -12.453 1.964 211 HB THR 621 HB THR 621 162.021 -13.398 2.319 212 HG1 THR 621 HG1 THR 621 164.404 -14.252 3.596 213 1HG2 THR 621 1HG2 THR 621 163.822 -14.162 0.397 214 2HG2 THR 621 2HG2 THR 621 162.444 -15.104 0.966 215 3HG2 THR 621 3HG2 THR 621 164.043 -15.372 1.660 216 H MET 622 H MET 622 164.743 -12.533 -0.282 217 HA MET 622 HA MET 622 163.539 -10.305 -1.528 218 1HB MET 622 1HB MET 622 165.421 -12.313 -2.227 219 2HB MET 622 2HB MET 622 164.181 -12.303 -3.469 220 1HG MET 622 1HG MET 622 165.816 -10.812 -4.214 221 2HG MET 622 2HG MET 622 164.511 -9.801 -3.597 222 1HE MET 622 1HE MET 622 168.464 -10.727 -1.514 223 2HE MET 622 2HE MET 622 167.453 -11.818 -2.462 224 3HE MET 622 3HE MET 622 167.043 -11.472 -0.783 225 HA PRO 623 HA PRO 623 159.507 -11.965 -2.353 226 1HB PRO 623 1HB PRO 623 159.136 -9.975 -4.436 227 2HB PRO 623 2HB PRO 623 158.411 -10.045 -2.829 228 1HG PRO 623 1HG PRO 623 160.238 -8.164 -3.569 229 2HG PRO 623 2HG PRO 623 160.030 -8.722 -1.900 230 1HD PRO 623 1HD PRO 623 162.104 -9.499 -3.915 231 2HD PRO 623 2HD PRO 623 162.279 -9.192 -2.174 232 H LYS 624 H LYS 624 161.766 -11.356 -4.974 233 HA LYS 624 HA LYS 624 160.260 -13.105 -6.766 234 1HB LYS 624 1HB LYS 624 161.724 -12.330 -8.520 235 2HB LYS 624 2HB LYS 624 161.131 -10.943 -7.618 236 1HG LYS 624 1HG LYS 624 163.757 -12.146 -6.881 237 2HG LYS 624 2HG LYS 624 163.641 -11.111 -8.303 238 1HD LYS 624 1HD LYS 624 162.250 -9.831 -6.186 239 2HD LYS 624 2HD LYS 624 163.812 -10.361 -5.561 240 1HE LYS 624 1HE LYS 624 164.996 -9.130 -7.180 241 2HE LYS 624 2HE LYS 624 163.554 -8.885 -8.163 242 1HZ LYS 624 1HZ LYS 624 163.816 -6.864 -7.110 243 2HZ LYS 624 2HZ LYS 624 164.328 -7.552 -5.653 244 3HZ LYS 624 3HZ LYS 624 162.699 -7.635 -6.099 245 H GLU 625 H GLU 625 163.203 -13.007 -4.905 246 HA GLU 625 HA GLU 625 163.611 -15.842 -5.446 247 1HB GLU 625 1HB GLU 625 165.939 -15.607 -5.997 248 2HB GLU 625 2HB GLU 625 165.012 -14.576 -7.078 249 1HG GLU 625 1HG GLU 625 165.548 -12.786 -5.186 250 2HG GLU 625 2HG GLU 625 166.929 -13.856 -4.944 251 H SER 626 H SER 626 166.075 -16.097 -4.130 252 HA SER 626 HA SER 626 165.213 -15.631 -1.379 253 1HB SER 626 1HB SER 626 167.198 -17.495 -2.657 254 2HB SER 626 2HB SER 626 167.239 -17.184 -0.922 255 HG SER 626 HG SER 626 165.057 -18.213 -2.418 256 H GLY 627 H GLY 627 168.498 -15.810 -2.721 257 1HA GLY 627 1HA GLY 627 169.983 -13.930 -2.887 258 2HA GLY 627 2HA GLY 627 169.023 -13.114 -1.661 259 H ALA 628 H ALA 628 171.761 -13.214 -1.444 260 HA ALA 628 HA ALA 628 172.335 -15.326 0.500 261 1HB ALA 628 1HB ALA 628 174.168 -13.362 -0.863 262 2HB ALA 628 2HB ALA 628 173.981 -15.073 -1.247 263 3HB ALA 628 3HB ALA 628 174.682 -14.586 0.297 264 H LEU 629 H LEU 629 172.960 -11.842 0.201 265 HA LEU 629 HA LEU 629 172.379 -11.577 3.069 266 1HB LEU 629 1HB LEU 629 174.384 -9.743 1.867 267 2HB LEU 629 2HB LEU 629 174.235 -10.313 3.512 268 HG LEU 629 HG LEU 629 176.235 -11.217 2.654 269 1HD1 LEU 629 1HD1 LEU 629 175.923 -13.229 3.492 270 2HD1 LEU 629 2HD1 LEU 629 174.847 -13.695 2.176 271 3HD1 LEU 629 3HD1 LEU 629 174.206 -12.837 3.577 272 1HD2 LEU 629 1HD2 LEU 629 176.476 -11.320 0.453 273 2HD2 LEU 629 2HD2 LEU 629 174.741 -11.413 0.182 274 3HD2 LEU 629 3HD2 LEU 629 175.659 -12.877 0.533 275 H LEU 630 H LEU 630 173.292 -9.134 0.662 276 HA LEU 630 HA LEU 630 170.561 -8.080 0.796 277 1HB LEU 630 1HB LEU 630 171.939 -5.767 0.595 278 2HB LEU 630 2HB LEU 630 171.320 -6.424 2.096 279 HG LEU 630 HG LEU 630 174.068 -7.141 1.199 280 1HD1 LEU 630 1HD1 LEU 630 174.529 -4.933 1.104 281 2HD1 LEU 630 2HD1 LEU 630 174.601 -5.112 2.857 282 3HD1 LEU 630 3HD1 LEU 630 173.137 -4.492 2.093 283 1HD2 LEU 630 1HD2 LEU 630 173.302 -8.360 3.069 284 2HD2 LEU 630 2HD2 LEU 630 172.657 -6.908 3.836 285 3HD2 LEU 630 3HD2 LEU 630 174.401 -7.129 3.692 286 H GLY 631 H GLY 631 173.692 -8.014 -0.973 287 1HA GLY 631 1HA GLY 631 172.704 -8.571 -3.429 288 2HA GLY 631 2HA GLY 631 172.371 -6.862 -3.281 289 H LEU 632 H LEU 632 175.304 -7.500 -1.678 290 HA LEU 632 HA LEU 632 176.936 -7.581 -4.035 291 1HB LEU 632 1HB LEU 632 177.910 -5.399 -3.943 292 2HB LEU 632 2HB LEU 632 176.176 -5.256 -4.112 293 HG LEU 632 HG LEU 632 176.986 -3.547 -2.630 294 1HD1 LEU 632 1HD1 LEU 632 174.943 -5.301 -2.010 295 2HD1 LEU 632 2HD1 LEU 632 175.203 -3.695 -1.336 296 3HD1 LEU 632 3HD1 LEU 632 175.832 -5.114 -0.501 297 1HD2 LEU 632 1HD2 LEU 632 178.483 -3.803 -0.981 298 2HD2 LEU 632 2HD2 LEU 632 178.916 -5.264 -1.867 299 3HD2 LEU 632 3HD2 LEU 632 177.830 -5.363 -0.480 300 H LYS 633 H LYS 633 179.151 -7.807 -3.675 301 HA LYS 633 HA LYS 633 179.829 -8.542 -0.913 302 1HB LYS 633 1HB LYS 633 180.130 -10.001 -3.171 303 2HB LYS 633 2HB LYS 633 181.681 -9.179 -3.139 304 1HG LYS 633 1HG LYS 633 182.314 -10.180 -1.144 305 2HG LYS 633 2HG LYS 633 180.656 -10.599 -0.719 306 1HD LYS 633 1HD LYS 633 181.022 -12.623 -1.565 307 2HD LYS 633 2HD LYS 633 181.141 -11.878 -3.158 308 1HE LYS 633 1HE LYS 633 183.290 -12.418 -3.265 309 2HE LYS 633 2HE LYS 633 183.612 -11.502 -1.795 310 1HZ LYS 633 1HZ LYS 633 184.301 -13.770 -1.507 311 2HZ LYS 633 2HZ LYS 633 182.774 -14.346 -1.950 312 3HZ LYS 633 3HZ LYS 633 182.965 -13.478 -0.512 313 H VAL 634 H VAL 634 181.295 -7.337 0.213 314 HA VAL 634 HA VAL 634 182.677 -5.227 -1.306 315 HB VAL 634 HB VAL 634 181.502 -5.263 1.440 316 1HG1 VAL 634 1HG1 VAL 634 183.765 -3.480 0.543 317 2HG1 VAL 634 2HG1 VAL 634 183.769 -4.605 1.901 318 3HG1 VAL 634 3HG1 VAL 634 182.747 -3.166 1.950 319 1HG2 VAL 634 1HG2 VAL 634 181.135 -2.795 0.416 320 2HG2 VAL 634 2HG2 VAL 634 180.030 -4.145 0.161 321 3HG2 VAL 634 3HG2 VAL 634 181.236 -3.748 -1.064 322 H VAL 635 H VAL 635 184.749 -4.594 -0.715 323 HA VAL 635 HA VAL 635 186.296 -6.585 0.795 324 HB VAL 635 HB VAL 635 186.604 -5.729 -1.968 325 1HG1 VAL 635 1HG1 VAL 635 189.026 -5.549 -0.179 326 2HG1 VAL 635 2HG1 VAL 635 188.311 -4.243 -1.127 327 3HG1 VAL 635 3HG1 VAL 635 189.072 -5.611 -1.942 328 1HG2 VAL 635 1HG2 VAL 635 186.408 -8.027 -1.037 329 2HG2 VAL 635 2HG2 VAL 635 188.042 -7.842 -0.401 330 3HG2 VAL 635 3HG2 VAL 635 187.762 -7.790 -2.143 331 H GLY 636 H GLY 636 187.407 -5.751 2.436 332 1HA GLY 636 1HA GLY 636 187.785 -2.824 2.478 333 2HA GLY 636 2HA GLY 636 187.625 -3.834 3.906 334 H GLY 637 H GLY 637 189.659 -2.106 3.878 335 1HA GLY 637 1HA GLY 637 191.910 -2.064 4.346 336 2HA GLY 637 2HA GLY 637 191.926 -3.806 4.141 337 H LYS 638 H LYS 638 191.172 -1.160 1.887 338 HA LYS 638 HA LYS 638 193.270 -2.223 0.111 339 1HB LYS 638 1HB LYS 638 190.674 -0.844 -0.595 340 2HB LYS 638 2HB LYS 638 191.929 -1.252 -1.758 341 1HG LYS 638 1HG LYS 638 190.552 -3.290 -0.028 342 2HG LYS 638 2HG LYS 638 190.003 -2.847 -1.645 343 1HD LYS 638 1HD LYS 638 191.518 -4.181 -2.586 344 2HD LYS 638 2HD LYS 638 192.823 -3.422 -1.670 345 1HE LYS 638 1HE LYS 638 192.204 -4.870 0.266 346 2HE LYS 638 2HE LYS 638 191.056 -5.700 -0.785 347 1HZ LYS 638 1HZ LYS 638 194.006 -5.587 -1.101 348 2HZ LYS 638 2HZ LYS 638 192.958 -6.239 -2.258 349 3HZ LYS 638 3HZ LYS 638 193.071 -6.947 -0.725 350 H MET 639 H MET 639 194.930 -0.918 0.841 351 HA MET 639 HA MET 639 194.785 1.819 1.364 352 1HB MET 639 1HB MET 639 196.680 0.236 1.929 353 2HB MET 639 2HB MET 639 197.207 0.395 0.259 354 1HG MET 639 1HG MET 639 198.393 2.154 0.877 355 2HG MET 639 2HG MET 639 196.878 3.008 1.157 356 1HE MET 639 1HE MET 639 195.720 2.675 4.163 357 2HE MET 639 2HE MET 639 196.139 3.882 2.948 358 3HE MET 639 3HE MET 639 196.880 3.945 4.547 359 H THR 640 H THR 640 194.339 3.455 0.067 360 HA THR 640 HA THR 640 194.590 3.128 -2.820 361 HB THR 640 HB THR 640 193.394 5.364 -2.851 362 HG1 THR 640 HG1 THR 640 194.033 5.854 -0.627 363 1HG2 THR 640 1HG2 THR 640 192.108 3.004 -1.519 364 2HG2 THR 640 2HG2 THR 640 192.025 3.484 -3.215 365 3HG2 THR 640 3HG2 THR 640 191.218 4.454 -1.982 366 H ASP 641 H ASP 641 195.114 5.445 -3.883 367 HA ASP 641 HA ASP 641 197.888 5.858 -3.362 368 1HB ASP 641 1HB ASP 641 195.901 6.826 -5.332 369 2HB ASP 641 2HB ASP 641 197.273 7.890 -5.033 370 H LEU 642 H LEU 642 195.115 7.124 -1.929 371 HA LEU 642 HA LEU 642 196.203 9.742 -1.357 372 1HB LEU 642 1HB LEU 642 193.739 8.345 -0.309 373 2HB LEU 642 2HB LEU 642 194.165 10.013 0.024 374 HG LEU 642 HG LEU 642 192.500 10.030 -1.677 375 1HD1 LEU 642 1HD1 LEU 642 193.506 11.420 -3.186 376 2HD1 LEU 642 2HD1 LEU 642 194.927 10.390 -3.358 377 3HD1 LEU 642 3HD1 LEU 642 194.736 11.395 -1.922 378 1HD2 LEU 642 1HD2 LEU 642 194.122 8.435 -3.589 379 2HD2 LEU 642 2HD2 LEU 642 192.373 8.633 -3.477 380 3HD2 LEU 642 3HD2 LEU 642 193.216 7.577 -2.342 381 H GLY 643 H GLY 643 195.923 6.627 0.208 382 1HA GLY 643 1HA GLY 643 197.580 6.019 1.863 383 2HA GLY 643 2HA GLY 643 197.556 7.683 2.426 384 H ARG 644 H ARG 644 194.548 6.154 1.673 385 HA ARG 644 HA ARG 644 194.056 5.664 4.532 386 1HB ARG 644 1HB ARG 644 192.441 7.281 2.593 387 2HB ARG 644 2HB ARG 644 191.635 6.448 3.915 388 1HG ARG 644 1HG ARG 644 193.564 7.659 5.304 389 2HG ARG 644 2HG ARG 644 193.427 8.795 3.961 390 1HD ARG 644 1HD ARG 644 191.141 9.196 4.410 391 2HD ARG 644 2HD ARG 644 191.040 7.822 5.510 392 HE ARG 644 HE ARG 644 192.938 9.568 6.544 393 1HH1 ARG 644 1HH1 ARG 644 189.513 9.559 5.872 394 2HH1 ARG 644 2HH1 ARG 644 189.133 10.669 7.145 395 1HH2 ARG 644 1HH2 ARG 644 192.440 11.029 8.219 396 2HH2 ARG 644 2HH2 ARG 644 190.794 11.505 8.477 397 H LEU 645 H LEU 645 192.723 3.945 5.031 398 HA LEU 645 HA LEU 645 192.416 1.980 2.920 399 1HB LEU 645 1HB LEU 645 192.078 1.905 5.906 400 2HB LEU 645 2HB LEU 645 191.570 0.569 4.892 401 HG LEU 645 HG LEU 645 194.376 1.621 5.233 402 1HD1 LEU 645 1HD1 LEU 645 194.787 -0.172 6.543 403 2HD1 LEU 645 2HD1 LEU 645 193.668 -1.211 5.660 404 3HD1 LEU 645 3HD1 LEU 645 193.053 -0.063 6.849 405 1HD2 LEU 645 1HD2 LEU 645 194.710 0.928 3.133 406 2HD2 LEU 645 2HD2 LEU 645 193.162 0.087 3.064 407 3HD2 LEU 645 3HD2 LEU 645 194.564 -0.701 3.790 408 H GLY 646 H GLY 646 190.490 1.090 2.226 409 1HA GLY 646 1HA GLY 646 187.989 2.113 3.339 410 2HA GLY 646 2HA GLY 646 188.326 2.498 1.659 411 H ALA 647 H ALA 647 186.263 1.323 1.360 412 HA ALA 647 HA ALA 647 186.766 -1.569 1.137 413 1HB ALA 647 1HB ALA 647 184.093 -1.544 1.310 414 2HB ALA 647 2HB ALA 647 184.465 -0.134 2.302 415 3HB ALA 647 3HB ALA 647 185.150 -1.706 2.712 416 H PHE 648 H PHE 648 185.890 -2.640 -0.691 417 HA PHE 648 HA PHE 648 184.680 -0.929 -2.746 418 1HB PHE 648 1HB PHE 648 187.151 -2.627 -3.117 419 2HB PHE 648 2HB PHE 648 186.199 -1.997 -4.457 420 HD1 PHE 648 HD1 PHE 648 185.967 0.496 -4.706 421 HD2 PHE 648 HD2 PHE 648 188.754 -1.303 -2.040 422 HE1 PHE 648 HE1 PHE 648 187.239 2.601 -4.622 423 HE2 PHE 648 HE2 PHE 648 190.031 0.798 -1.951 424 HZ PHE 648 HZ PHE 648 189.273 2.753 -3.243 425 H ILE 649 H ILE 649 183.165 -1.926 -3.995 426 HA ILE 649 HA ILE 649 182.210 -4.480 -3.135 427 HB ILE 649 HB ILE 649 181.338 -2.767 -5.470 428 1HG1 ILE 649 1HG1 ILE 649 179.787 -3.155 -2.933 429 2HG1 ILE 649 2HG1 ILE 649 181.098 -1.979 -2.980 430 1HG2 ILE 649 1HG2 ILE 649 179.301 -4.124 -5.479 431 2HG2 ILE 649 2HG2 ILE 649 179.985 -5.156 -4.223 432 3HG2 ILE 649 3HG2 ILE 649 180.732 -5.097 -5.820 433 1HD1 ILE 649 1HD1 ILE 649 179.397 -1.652 -5.265 434 2HD1 ILE 649 2HD1 ILE 649 179.796 -0.502 -3.988 435 3HD1 ILE 649 3HD1 ILE 649 178.447 -1.621 -3.780 436 H THR 650 H THR 650 182.941 -6.388 -3.804 437 HA THR 650 HA THR 650 184.656 -6.582 -6.113 438 HB THR 650 HB THR 650 185.147 -8.775 -5.421 439 HG1 THR 650 HG1 THR 650 183.546 -9.994 -4.897 440 1HG2 THR 650 1HG2 THR 650 186.144 -7.468 -3.783 441 2HG2 THR 650 2HG2 THR 650 185.248 -8.683 -2.869 442 3HG2 THR 650 3HG2 THR 650 184.600 -7.052 -3.038 443 H LYS 651 H LYS 651 181.344 -7.384 -5.305 444 HA LYS 651 HA LYS 651 180.683 -7.675 -8.075 445 1HB LYS 651 1HB LYS 651 179.964 -9.968 -8.071 446 2HB LYS 651 2HB LYS 651 181.644 -9.912 -7.558 447 1HG LYS 651 1HG LYS 651 180.892 -10.094 -5.209 448 2HG LYS 651 2HG LYS 651 179.233 -10.265 -5.788 449 1HD LYS 651 1HD LYS 651 181.311 -12.080 -6.904 450 2HD LYS 651 2HD LYS 651 180.744 -12.372 -5.258 451 1HE LYS 651 1HE LYS 651 178.387 -12.028 -6.492 452 2HE LYS 651 2HE LYS 651 179.332 -12.661 -7.839 453 1HZ LYS 651 1HZ LYS 651 179.485 -14.686 -6.897 454 2HZ LYS 651 2HZ LYS 651 178.086 -14.204 -6.077 455 3HZ LYS 651 3HZ LYS 651 179.592 -14.084 -5.319 456 H VAL 652 H VAL 652 178.424 -7.846 -8.470 457 HA VAL 652 HA VAL 652 176.720 -7.334 -6.120 458 HB VAL 652 HB VAL 652 175.436 -5.999 -8.175 459 1HG1 VAL 652 1HG1 VAL 652 177.219 -4.941 -5.995 460 2HG1 VAL 652 2HG1 VAL 652 175.479 -5.221 -5.922 461 3HG1 VAL 652 3HG1 VAL 652 176.124 -3.949 -6.958 462 1HG2 VAL 652 1HG2 VAL 652 177.719 -6.241 -9.374 463 2HG2 VAL 652 2HG2 VAL 652 178.240 -4.969 -8.268 464 3HG2 VAL 652 3HG2 VAL 652 176.900 -4.677 -9.378 465 H LYS 653 H LYS 653 174.884 -8.489 -6.020 466 HA LYS 653 HA LYS 653 174.389 -10.479 -8.050 467 1HB LYS 653 1HB LYS 653 174.154 -11.055 -5.683 468 2HB LYS 653 2HB LYS 653 172.900 -9.838 -5.496 469 1HG LYS 653 1HG LYS 653 171.898 -12.017 -5.645 470 2HG LYS 653 2HG LYS 653 171.490 -11.082 -7.086 471 1HD LYS 653 1HD LYS 653 172.688 -12.428 -8.462 472 2HD LYS 653 2HD LYS 653 173.929 -12.745 -7.247 473 1HE LYS 653 1HE LYS 653 171.151 -13.912 -7.172 474 2HE LYS 653 2HE LYS 653 172.546 -14.733 -7.871 475 1HZ LYS 653 1HZ LYS 653 171.813 -15.068 -5.365 476 2HZ LYS 653 2HZ LYS 653 172.826 -13.732 -5.145 477 3HZ LYS 653 3HZ LYS 653 173.434 -15.147 -5.846 478 H LYS 654 H LYS 654 173.447 -9.799 -9.877 479 HA LYS 654 HA LYS 654 171.794 -7.561 -10.154 480 1HB LYS 654 1HB LYS 654 172.629 -9.820 -11.825 481 2HB LYS 654 2HB LYS 654 171.041 -9.192 -12.239 482 1HG LYS 654 1HG LYS 654 172.183 -6.886 -12.233 483 2HG LYS 654 2HG LYS 654 173.689 -7.803 -12.314 484 1HD LYS 654 1HD LYS 654 172.024 -8.961 -14.236 485 2HD LYS 654 2HD LYS 654 171.775 -7.221 -14.398 486 1HE LYS 654 1HE LYS 654 173.810 -6.905 -15.269 487 2HE LYS 654 2HE LYS 654 174.578 -7.951 -14.076 488 1HZ LYS 654 1HZ LYS 654 174.594 -8.627 -16.549 489 2HZ LYS 654 2HZ LYS 654 173.004 -9.129 -16.267 490 3HZ LYS 654 3HZ LYS 654 174.273 -9.808 -15.379 491 H GLY 655 H GLY 655 169.961 -7.330 -9.013 492 1HA GLY 655 1HA GLY 655 167.546 -7.915 -9.302 493 2HA GLY 655 2HA GLY 655 168.045 -9.581 -9.051 494 H SER 656 H SER 656 170.006 -8.721 -6.978 495 HA SER 656 HA SER 656 168.345 -9.057 -4.723 496 1HB SER 656 1HB SER 656 170.968 -9.439 -5.149 497 2HB SER 656 2HB SER 656 171.042 -7.872 -4.347 498 HG SER 656 HG SER 656 170.105 -8.739 -2.557 499 H LEU 657 H LEU 657 168.562 -7.505 -2.785 500 HA LEU 657 HA LEU 657 167.191 -5.157 -3.347 501 1HB LEU 657 1HB LEU 657 168.921 -5.627 -0.927 502 2HB LEU 657 2HB LEU 657 167.552 -4.539 -1.051 503 HG LEU 657 HG LEU 657 166.521 -7.053 -1.710 504 1HD1 LEU 657 1HD1 LEU 657 168.350 -8.271 -0.876 505 2HD1 LEU 657 2HD1 LEU 657 167.144 -8.307 0.410 506 3HD1 LEU 657 3HD1 LEU 657 168.521 -7.213 0.525 507 1HD2 LEU 657 1HD2 LEU 657 165.538 -6.806 0.663 508 2HD2 LEU 657 2HD2 LEU 657 165.172 -5.568 -0.540 509 3HD2 LEU 657 3HD2 LEU 657 166.400 -5.267 0.691 510 H ALA 658 H ALA 658 170.612 -5.557 -2.514 511 HA ALA 658 HA ALA 658 171.462 -2.958 -2.511 512 1HB ALA 658 1HB ALA 658 172.740 -5.240 -2.211 513 2HB ALA 658 2HB ALA 658 173.596 -3.758 -2.637 514 3HB ALA 658 3HB ALA 658 173.200 -4.938 -3.886 515 H ASP 659 H ASP 659 170.747 -4.955 -5.301 516 HA ASP 659 HA ASP 659 171.812 -3.062 -7.184 517 1HB ASP 659 1HB ASP 659 171.792 -5.487 -7.650 518 2HB ASP 659 2HB ASP 659 170.032 -5.457 -7.662 519 H VAL 660 H VAL 660 168.550 -4.129 -6.296 520 HA VAL 660 HA VAL 660 167.260 -2.263 -8.016 521 HB VAL 660 HB VAL 660 165.234 -2.830 -6.426 522 1HG1 VAL 660 1HG1 VAL 660 165.684 -3.519 -8.820 523 2HG1 VAL 660 2HG1 VAL 660 164.665 -4.602 -7.870 524 3HG1 VAL 660 3HG1 VAL 660 166.357 -5.011 -8.163 525 1HG2 VAL 660 1HG2 VAL 660 167.130 -4.080 -4.969 526 2HG2 VAL 660 2HG2 VAL 660 166.595 -5.407 -5.999 527 3HG2 VAL 660 3HG2 VAL 660 165.432 -4.553 -4.984 528 H VAL 661 H VAL 661 167.677 -2.315 -4.458 529 HA VAL 661 HA VAL 661 166.583 0.369 -4.299 530 HB VAL 661 HB VAL 661 165.982 -1.256 -2.562 531 1HG1 VAL 661 1HG1 VAL 661 167.643 -2.677 -2.020 532 2HG1 VAL 661 2HG1 VAL 661 168.013 -1.455 -0.804 533 3HG1 VAL 661 3HG1 VAL 661 168.908 -1.487 -2.322 534 1HG2 VAL 661 1HG2 VAL 661 166.022 0.245 -0.802 535 2HG2 VAL 661 2HG2 VAL 661 166.259 1.295 -2.199 536 3HG2 VAL 661 3HG2 VAL 661 167.638 0.829 -1.201 537 H GLY 662 H GLY 662 169.711 -1.196 -4.173 538 1HA GLY 662 1HA GLY 662 171.016 1.266 -3.301 539 2HA GLY 662 2HA GLY 662 171.796 -0.286 -3.567 540 H HIS 663 H HIS 663 171.210 -0.938 -6.084 541 HA HIS 663 HA HIS 663 171.778 -0.606 -8.253 542 1HB HIS 663 1HB HIS 663 170.155 1.487 -7.639 543 2HB HIS 663 2HB HIS 663 171.603 2.338 -8.167 544 HD1 HIS 663 HD1 HIS 663 172.346 1.960 -10.657 545 HD2 HIS 663 HD2 HIS 663 168.690 0.269 -9.643 546 HE1 HIS 663 HE1 HIS 663 171.237 1.397 -12.843 547 HE2 HIS 663 HE2 HIS 663 168.991 0.451 -12.205 548 H LEU 664 H LEU 664 173.961 -1.216 -7.340 549 HA LEU 664 HA LEU 664 175.868 0.841 -8.156 550 1HB LEU 664 1HB LEU 664 177.367 -0.135 -6.229 551 2HB LEU 664 2HB LEU 664 176.258 1.188 -5.938 552 HG LEU 664 HG LEU 664 176.258 -0.521 -4.150 553 1HD1 LEU 664 1HD1 LEU 664 173.557 -0.729 -5.340 554 2HD1 LEU 664 2HD1 LEU 664 174.197 0.889 -5.052 555 3HD1 LEU 664 3HD1 LEU 664 174.052 -0.253 -3.715 556 1HD2 LEU 664 1HD2 LEU 664 174.768 -2.375 -5.938 557 2HD2 LEU 664 2HD2 LEU 664 175.675 -2.710 -4.462 558 3HD2 LEU 664 3HD2 LEU 664 176.531 -2.378 -5.970 559 H ARG 665 H ARG 665 178.163 -0.266 -8.226 560 HA ARG 665 HA ARG 665 177.883 -3.015 -9.203 561 1HB ARG 665 1HB ARG 665 179.287 -0.810 -10.720 562 2HB ARG 665 2HB ARG 665 179.210 -2.500 -11.196 563 1HG ARG 665 1HG ARG 665 176.576 -1.375 -10.753 564 2HG ARG 665 2HG ARG 665 177.489 -0.485 -11.971 565 1HD ARG 665 1HD ARG 665 177.995 -2.712 -13.043 566 2HD ARG 665 2HD ARG 665 176.812 -3.417 -11.942 567 HE ARG 665 HE ARG 665 175.132 -2.510 -13.210 568 1HH1 ARG 665 1HH1 ARG 665 178.163 -1.030 -14.109 569 2HH1 ARG 665 2HH1 ARG 665 177.499 -0.206 -15.478 570 1HH2 ARG 665 1HH2 ARG 665 174.256 -1.424 -15.010 571 2HH2 ARG 665 2HH2 ARG 665 175.280 -0.428 -15.990 572 H ALA 666 H ALA 666 179.941 -4.145 -9.443 573 HA ALA 666 HA ALA 666 181.562 -3.929 -7.193 574 1HB ALA 666 1HB ALA 666 182.489 -5.151 -9.775 575 2HB ALA 666 2HB ALA 666 181.270 -5.917 -8.756 576 3HB ALA 666 3HB ALA 666 182.892 -5.627 -8.126 577 H GLY 667 H GLY 667 183.105 -2.544 -6.657 578 1HA GLY 667 1HA GLY 667 185.307 -1.626 -7.451 579 2HA GLY 667 2HA GLY 667 184.394 -0.994 -8.816 580 H ASP 668 H ASP 668 182.095 -0.476 -6.917 581 HA ASP 668 HA ASP 668 182.633 2.243 -6.416 582 1HB ASP 668 1HB ASP 668 180.418 0.385 -5.996 583 2HB ASP 668 2HB ASP 668 180.539 1.591 -4.717 584 H GLU 669 H GLU 669 183.202 3.346 -4.580 585 HA GLU 669 HA GLU 669 184.388 1.711 -2.462 586 1HB GLU 669 1HB GLU 669 185.661 3.547 -3.760 587 2HB GLU 669 2HB GLU 669 184.754 4.678 -2.766 588 1HG GLU 669 1HG GLU 669 185.660 3.548 -0.752 589 2HG GLU 669 2HG GLU 669 186.659 2.555 -1.811 590 H VAL 670 H VAL 670 183.102 1.336 -0.782 591 HA VAL 670 HA VAL 670 181.095 3.311 -0.019 592 HB VAL 670 HB VAL 670 181.559 0.472 0.905 593 1HG1 VAL 670 1HG1 VAL 670 179.135 1.066 1.908 594 2HG1 VAL 670 2HG1 VAL 670 179.923 2.634 2.080 595 3HG1 VAL 670 3HG1 VAL 670 180.629 1.205 2.833 596 1HG2 VAL 670 1HG2 VAL 670 180.502 1.027 -1.374 597 2HG2 VAL 670 2HG2 VAL 670 179.107 1.560 -0.434 598 3HG2 VAL 670 3HG2 VAL 670 179.663 -0.111 -0.318 599 H LEU 671 H LEU 671 182.101 4.924 1.079 600 HA LEU 671 HA LEU 671 184.130 4.377 3.046 601 1HB LEU 671 1HB LEU 671 182.680 6.979 2.588 602 2HB LEU 671 2HB LEU 671 184.227 6.750 3.378 603 HG LEU 671 HG LEU 671 184.915 7.535 1.341 604 1HD1 LEU 671 1HD1 LEU 671 184.643 4.597 0.729 605 2HD1 LEU 671 2HD1 LEU 671 185.919 5.315 1.712 606 3HD1 LEU 671 3HD1 LEU 671 185.785 5.727 0.002 607 1HD2 LEU 671 1HD2 LEU 671 182.371 7.241 0.563 608 2HD2 LEU 671 2HD2 LEU 671 183.118 5.957 -0.388 609 3HD2 LEU 671 3HD2 LEU 671 183.685 7.618 -0.551 610 H GLU 672 H GLU 672 180.858 4.005 3.129 611 HA GLU 672 HA GLU 672 180.835 4.237 6.044 612 1HB GLU 672 1HB GLU 672 178.801 5.455 4.183 613 2HB GLU 672 2HB GLU 672 178.518 5.215 5.902 614 1HG GLU 672 1HG GLU 672 181.005 6.618 5.328 615 2HG GLU 672 2HG GLU 672 179.570 7.461 4.744 616 H TRP 673 H TRP 673 180.060 2.452 6.948 617 HA TRP 673 HA TRP 673 178.097 0.836 5.470 618 1HB TRP 673 1HB TRP 673 180.445 -0.122 5.361 619 2HB TRP 673 2HB TRP 673 180.341 -0.358 7.102 620 HD1 TRP 673 HD1 TRP 673 178.378 -2.115 7.949 621 HE1 TRP 673 HE1 TRP 673 177.474 -4.227 6.785 622 HE3 TRP 673 HE3 TRP 673 179.936 -1.142 3.180 623 HZ2 TRP 673 HZ2 TRP 673 177.433 -5.333 4.184 624 HZ3 TRP 673 HZ3 TRP 673 179.420 -2.773 1.418 625 HH2 TRP 673 HH2 TRP 673 178.199 -4.830 1.911 626 H ASN 674 H ASN 674 176.289 0.844 6.640 627 HA ASN 674 HA ASN 674 174.851 0.677 8.394 628 1HB ASN 674 1HB ASN 674 176.570 -1.261 8.917 629 2HB ASN 674 2HB ASN 674 177.025 -0.203 10.249 630 1HD2 ASN 674 1HD2 ASN 674 174.228 -1.734 8.728 631 2HD2 ASN 674 2HD2 ASN 674 173.334 -1.960 10.189 632 H GLY 675 H GLY 675 176.192 3.109 7.865 633 1HA GLY 675 1HA GLY 675 176.232 5.218 8.776 634 2HA GLY 675 2HA GLY 675 175.541 4.536 10.237 635 H LYS 676 H LYS 676 178.500 3.104 9.170 636 HA LYS 676 HA LYS 676 179.904 4.568 11.307 637 1HB LYS 676 1HB LYS 676 180.529 2.576 12.098 638 2HB LYS 676 2HB LYS 676 179.612 1.786 10.827 639 1HG LYS 676 1HG LYS 676 181.460 1.138 9.756 640 2HG LYS 676 2HG LYS 676 182.220 2.727 9.887 641 1HD LYS 676 1HD LYS 676 182.092 0.675 12.103 642 2HD LYS 676 2HD LYS 676 183.483 0.943 11.050 643 1HE LYS 676 1HE LYS 676 183.601 3.271 11.845 644 2HE LYS 676 2HE LYS 676 182.256 2.949 12.936 645 1HZ LYS 676 1HZ LYS 676 183.810 1.037 13.738 646 2HZ LYS 676 2HZ LYS 676 184.033 2.613 14.309 647 3HZ LYS 676 3HZ LYS 676 185.030 2.009 13.083 648 HA PRO 677 HA PRO 677 182.656 5.997 8.144 649 1HB PRO 677 1HB PRO 677 184.641 6.977 9.654 650 2HB PRO 677 2HB PRO 677 183.046 7.740 9.641 651 1HG PRO 677 1HG PRO 677 184.248 5.897 11.666 652 2HG PRO 677 2HG PRO 677 183.263 7.349 11.918 653 1HD PRO 677 1HD PRO 677 182.295 4.767 12.017 654 2HD PRO 677 2HD PRO 677 181.304 6.199 11.682 655 H LEU 678 H LEU 678 183.736 4.600 6.945 656 HA LEU 678 HA LEU 678 185.358 2.515 8.124 657 1HB LEU 678 1HB LEU 678 184.767 3.051 5.218 658 2HB LEU 678 2HB LEU 678 185.492 1.598 5.882 659 HG LEU 678 HG LEU 678 182.701 2.529 6.548 660 1HD1 LEU 678 1HD1 LEU 678 183.756 1.024 4.255 661 2HD1 LEU 678 2HD1 LEU 678 182.259 1.943 4.426 662 3HD1 LEU 678 3HD1 LEU 678 182.364 0.300 5.061 663 1HD2 LEU 678 1HD2 LEU 678 182.792 0.969 8.123 664 2HD2 LEU 678 2HD2 LEU 678 184.428 0.514 7.634 665 3HD2 LEU 678 3HD2 LEU 678 183.033 -0.247 6.867 666 HA PRO 679 HA PRO 679 188.436 5.290 5.215 667 1HB PRO 679 1HB PRO 679 187.733 7.593 7.003 668 2HB PRO 679 2HB PRO 679 188.358 7.608 5.348 669 1HG PRO 679 1HG PRO 679 185.774 8.016 5.806 670 2HG PRO 679 2HG PRO 679 186.305 7.037 4.426 671 1HD PRO 679 1HD PRO 679 185.056 6.186 6.981 672 2HD PRO 679 2HD PRO 679 184.974 5.431 5.377 673 H GLY 680 H GLY 680 190.098 4.185 6.073 674 1HA GLY 680 1HA GLY 680 192.070 4.411 7.453 675 2HA GLY 680 2HA GLY 680 191.040 5.017 8.741 676 H ALA 681 H ALA 681 189.227 2.632 7.597 677 HA ALA 681 HA ALA 681 190.160 0.759 9.618 678 1HB ALA 681 1HB ALA 681 187.641 1.534 8.693 679 2HB ALA 681 2HB ALA 681 188.005 0.278 9.870 680 3HB ALA 681 3HB ALA 681 187.840 -0.135 8.165 681 H THR 682 H THR 682 191.199 -1.079 9.207 682 HA THR 682 HA THR 682 191.880 -1.720 6.465 683 HB THR 682 HB THR 682 193.706 -1.818 7.974 684 HG1 THR 682 HG1 THR 682 193.086 -4.548 7.865 685 1HG2 THR 682 1HG2 THR 682 191.947 -3.487 9.731 686 2HG2 THR 682 2HG2 THR 682 192.751 -1.962 10.106 687 3HG2 THR 682 3HG2 THR 682 193.701 -3.435 9.905 688 H ASN 683 H ASN 683 192.090 -4.296 6.180 689 HA ASN 683 HA ASN 683 189.637 -5.283 5.542 690 1HB ASN 683 1HB ASN 683 191.856 -7.069 6.539 691 2HB ASN 683 2HB ASN 683 190.623 -7.448 5.341 692 1HD2 ASN 683 1HD2 ASN 683 191.091 -7.146 3.271 693 2HD2 ASN 683 2HD2 ASN 683 192.471 -6.301 2.668 694 H GLU 684 H GLU 684 191.409 -6.229 8.494 695 HA GLU 684 HA GLU 684 189.333 -7.714 9.621 696 1HB GLU 684 1HB GLU 684 191.950 -6.956 10.348 697 2HB GLU 684 2HB GLU 684 190.913 -6.469 11.681 698 1HG GLU 684 1HG GLU 684 190.040 -8.732 11.851 699 2HG GLU 684 2HG GLU 684 191.041 -9.230 10.487 700 H GLU 685 H GLU 685 189.967 -4.260 9.736 701 HA GLU 685 HA GLU 685 188.213 -3.635 11.851 702 1HB GLU 685 1HB GLU 685 189.931 -2.204 10.262 703 2HB GLU 685 2HB GLU 685 188.365 -1.655 9.685 704 1HG GLU 685 1HG GLU 685 189.185 -0.193 11.422 705 2HG GLU 685 2HG GLU 685 187.740 -1.042 11.968 706 H VAL 686 H VAL 686 187.710 -3.256 8.350 707 HA VAL 686 HA VAL 686 185.049 -2.679 8.270 708 HB VAL 686 HB VAL 686 186.553 -4.480 6.371 709 1HG1 VAL 686 1HG1 VAL 686 184.775 -3.490 4.760 710 2HG1 VAL 686 2HG1 VAL 686 183.849 -3.215 6.237 711 3HG1 VAL 686 3HG1 VAL 686 184.347 -4.850 5.800 712 1HG2 VAL 686 1HG2 VAL 686 187.723 -2.547 6.151 713 2HG2 VAL 686 2HG2 VAL 686 186.396 -1.546 6.737 714 3HG2 VAL 686 3HG2 VAL 686 186.380 -2.150 5.080 715 H TYR 687 H TYR 687 186.511 -5.903 8.442 716 HA TYR 687 HA TYR 687 184.304 -7.512 8.191 717 1HB TYR 687 1HB TYR 687 186.682 -7.829 10.032 718 2HB TYR 687 2HB TYR 687 185.493 -9.096 9.766 719 HD1 TYR 687 HD1 TYR 687 186.018 -7.219 6.796 720 HD2 TYR 687 HD2 TYR 687 187.692 -10.330 9.162 721 HE1 TYR 687 HE1 TYR 687 187.299 -8.000 4.849 722 HE2 TYR 687 HE2 TYR 687 188.978 -11.121 7.222 723 HH TYR 687 HH TYR 687 188.437 -9.887 4.027 724 H ASN 688 H ASN 688 185.443 -5.893 11.120 725 HA ASN 688 HA ASN 688 183.518 -6.942 12.877 726 1HB ASN 688 1HB ASN 688 185.337 -4.575 12.905 727 2HB ASN 688 2HB ASN 688 184.031 -4.633 14.085 728 1HD2 ASN 688 1HD2 ASN 688 186.962 -6.144 12.973 729 2HD2 ASN 688 2HD2 ASN 688 187.242 -7.098 14.387 730 H ILE 689 H ILE 689 183.455 -4.221 10.672 731 HA ILE 689 HA ILE 689 181.081 -3.024 11.653 732 HB ILE 689 HB ILE 689 182.418 -2.871 8.950 733 1HG1 ILE 689 1HG1 ILE 689 182.691 -0.432 9.908 734 2HG1 ILE 689 2HG1 ILE 689 182.463 -1.239 11.456 735 1HG2 ILE 689 1HG2 ILE 689 180.775 -0.650 9.201 736 2HG2 ILE 689 2HG2 ILE 689 179.771 -1.998 9.733 737 3HG2 ILE 689 3HG2 ILE 689 180.525 -2.035 8.141 738 1HD1 ILE 689 1HD1 ILE 689 184.356 -2.728 9.987 739 2HD1 ILE 689 2HD1 ILE 689 184.599 -1.794 11.459 740 3HD1 ILE 689 3HD1 ILE 689 184.811 -1.030 9.883 741 H ILE 690 H ILE 690 181.558 -4.860 8.619 742 HA ILE 690 HA ILE 690 178.888 -5.214 7.993 743 HB ILE 690 HB ILE 690 181.300 -6.894 7.370 744 1HG1 ILE 690 1HG1 ILE 690 179.977 -5.854 5.087 745 2HG1 ILE 690 2HG1 ILE 690 180.051 -4.561 6.277 746 1HG2 ILE 690 1HG2 ILE 690 179.874 -8.072 5.686 747 2HG2 ILE 690 2HG2 ILE 690 178.460 -7.373 6.476 748 3HG2 ILE 690 3HG2 ILE 690 179.507 -8.481 7.362 749 1HD1 ILE 690 1HD1 ILE 690 181.977 -4.998 4.531 750 2HD1 ILE 690 2HD1 ILE 690 182.520 -6.105 5.793 751 3HD1 ILE 690 3HD1 ILE 690 182.295 -4.395 6.157 752 H LEU 691 H LEU 691 180.971 -7.639 9.610 753 HA LEU 691 HA LEU 691 179.089 -9.545 10.176 754 1HB LEU 691 1HB LEU 691 181.545 -8.629 11.595 755 2HB LEU 691 2HB LEU 691 180.503 -9.789 12.394 756 HG LEU 691 HG LEU 691 180.973 -11.470 10.882 757 1HD1 LEU 691 1HD1 LEU 691 180.378 -10.298 8.850 758 2HD1 LEU 691 2HD1 LEU 691 181.932 -11.106 8.645 759 3HD1 LEU 691 3HD1 LEU 691 181.873 -9.365 8.920 760 1HD2 LEU 691 1HD2 LEU 691 183.411 -11.470 10.520 761 2HD2 LEU 691 2HD2 LEU 691 182.966 -10.964 12.151 762 3HD2 LEU 691 3HD2 LEU 691 183.454 -9.762 10.956 763 H GLU 692 H GLU 692 179.878 -6.733 12.169 764 HA GLU 692 HA GLU 692 178.014 -7.221 14.215 765 1HB GLU 692 1HB GLU 692 179.401 -4.744 13.231 766 2HB GLU 692 2HB GLU 692 178.204 -4.652 14.515 767 1HG GLU 692 1HG GLU 692 180.289 -6.690 14.880 768 2HG GLU 692 2HG GLU 692 180.842 -5.017 14.914 769 H SER 693 H SER 693 177.640 -5.947 11.020 770 HA SER 693 HA SER 693 174.943 -4.978 11.625 771 1HB SER 693 1HB SER 693 175.043 -4.020 9.312 772 2HB SER 693 2HB SER 693 176.286 -3.401 10.399 773 HG SER 693 HG SER 693 177.528 -3.959 8.776 774 H LYS 694 H LYS 694 176.476 -7.737 10.398 775 HA LYS 694 HA LYS 694 174.681 -8.520 8.381 776 1HB LYS 694 1HB LYS 694 175.639 -10.685 8.534 777 2HB LYS 694 2HB LYS 694 176.933 -9.546 8.875 778 1HG LYS 694 1HG LYS 694 177.353 -10.602 10.769 779 2HG LYS 694 2HG LYS 694 175.732 -10.211 11.346 780 1HD LYS 694 1HD LYS 694 175.371 -12.417 11.373 781 2HD LYS 694 2HD LYS 694 175.298 -12.312 9.613 782 1HE LYS 694 1HE LYS 694 177.328 -13.270 9.341 783 2HE LYS 694 2HE LYS 694 178.000 -12.504 10.780 784 1HZ LYS 694 1HZ LYS 694 176.403 -14.979 10.585 785 2HZ LYS 694 2HZ LYS 694 176.507 -14.129 12.043 786 3HZ LYS 694 3HZ LYS 694 177.908 -14.743 11.322 787 H SER 695 H SER 695 174.317 -8.355 11.777 788 HA SER 695 HA SER 695 172.026 -10.180 11.746 789 1HB SER 695 1HB SER 695 173.799 -10.356 13.545 790 2HB SER 695 2HB SER 695 173.231 -8.799 14.148 791 HG SER 695 HG SER 695 171.214 -9.726 14.525 792 H GLU 696 H GLU 696 172.758 -6.868 11.554 793 HA GLU 696 HA GLU 696 170.506 -5.796 12.893 794 1HB GLU 696 1HB GLU 696 172.746 -4.805 11.399 795 2HB GLU 696 2HB GLU 696 171.279 -4.033 10.814 796 1HG GLU 696 1HG GLU 696 170.955 -2.882 12.722 797 2HG GLU 696 2HG GLU 696 171.584 -4.178 13.741 798 HA PRO 697 HA PRO 697 167.284 -6.777 10.018 799 1HB PRO 697 1HB PRO 697 165.991 -4.271 10.898 800 2HB PRO 697 2HB PRO 697 165.407 -5.934 10.998 801 1HG PRO 697 1HG PRO 697 166.220 -4.608 13.177 802 2HG PRO 697 2HG PRO 697 166.516 -6.345 12.983 803 1HD PRO 697 1HD PRO 697 168.397 -4.047 12.611 804 2HD PRO 697 2HD PRO 697 168.689 -5.638 13.345 805 H GLN 698 H GLN 698 169.091 -3.849 9.917 806 HA GLN 698 HA GLN 698 168.589 -3.602 7.082 807 1HB GLN 698 1HB GLN 698 166.744 -2.290 8.032 808 2HB GLN 698 2HB GLN 698 167.894 -1.331 8.955 809 1HG GLN 698 1HG GLN 698 168.820 -0.403 6.950 810 2HG GLN 698 2HG GLN 698 167.842 -1.477 5.952 811 1HE2 GLN 698 1HE2 GLN 698 167.877 1.376 7.914 812 2HE2 GLN 698 2HE2 GLN 698 166.307 1.949 7.477 813 H VAL 699 H VAL 699 169.980 -1.938 6.072 814 HA VAL 699 HA VAL 699 172.300 -1.165 7.685 815 HB VAL 699 HB VAL 699 172.431 -2.758 5.122 816 1HG1 VAL 699 1HG1 VAL 699 174.664 -1.319 6.558 817 2HG1 VAL 699 2HG1 VAL 699 174.036 -0.947 4.950 818 3HG1 VAL 699 3HG1 VAL 699 174.879 -2.471 5.240 819 1HG2 VAL 699 1HG2 VAL 699 172.351 -3.633 7.700 820 2HG2 VAL 699 2HG2 VAL 699 174.087 -3.505 7.421 821 3HG2 VAL 699 3HG2 VAL 699 173.096 -4.505 6.361 822 H GLU 700 H GLU 700 173.504 0.562 6.850 823 HA GLU 700 HA GLU 700 172.313 1.999 4.576 824 1HB GLU 700 1HB GLU 700 171.714 2.912 6.919 825 2HB GLU 700 2HB GLU 700 173.394 3.427 6.998 826 1HG GLU 700 1HG GLU 700 173.128 5.023 5.379 827 2HG GLU 700 2HG GLU 700 171.768 4.191 4.628 828 H ILE 701 H ILE 701 173.846 1.958 3.037 829 HA ILE 701 HA ILE 701 176.630 2.420 3.879 830 HB ILE 701 HB ILE 701 177.089 1.292 1.541 831 1HG1 ILE 701 1HG1 ILE 701 174.407 0.153 2.362 832 2HG1 ILE 701 2HG1 ILE 701 174.784 0.997 0.864 833 1HG2 ILE 701 1HG2 ILE 701 178.024 0.443 3.541 834 2HG2 ILE 701 2HG2 ILE 701 177.219 -0.912 2.751 835 3HG2 ILE 701 3HG2 ILE 701 176.454 -0.112 4.123 836 1HD1 ILE 701 1HD1 ILE 701 174.585 -1.535 0.778 837 2HD1 ILE 701 2HD1 ILE 701 176.141 -1.565 1.611 838 3HD1 ILE 701 3HD1 ILE 701 176.004 -0.807 0.023 839 H ILE 702 H ILE 702 177.837 3.908 2.861 840 HA ILE 702 HA ILE 702 176.527 5.490 0.746 841 HB ILE 702 HB ILE 702 178.591 6.627 2.610 842 1HG1 ILE 702 1HG1 ILE 702 176.873 5.817 4.095 843 2HG1 ILE 702 2HG1 ILE 702 176.695 7.562 3.949 844 1HG2 ILE 702 1HG2 ILE 702 176.363 8.209 1.479 845 2HG2 ILE 702 2HG2 ILE 702 177.602 7.644 0.358 846 3HG2 ILE 702 3HG2 ILE 702 178.051 8.647 1.736 847 1HD1 ILE 702 1HD1 ILE 702 174.623 5.961 3.840 848 2HD1 ILE 702 2HD1 ILE 702 175.096 5.819 2.148 849 3HD1 ILE 702 3HD1 ILE 702 174.715 7.402 2.827 850 H VAL 703 H VAL 703 177.813 6.214 -0.972 851 HA VAL 703 HA VAL 703 180.543 5.113 -1.071 852 HB VAL 703 HB VAL 703 180.144 4.696 -3.532 853 1HG1 VAL 703 1HG1 VAL 703 180.268 2.909 -1.865 854 2HG1 VAL 703 2HG1 VAL 703 179.132 2.520 -3.156 855 3HG1 VAL 703 3HG1 VAL 703 178.533 3.053 -1.585 856 1HG2 VAL 703 1HG2 VAL 703 178.124 4.933 -4.495 857 2HG2 VAL 703 2HG2 VAL 703 177.819 6.039 -3.156 858 3HG2 VAL 703 3HG2 VAL 703 177.262 4.368 -3.063 859 H SER 704 H SER 704 181.598 5.990 -3.243 860 HA SER 704 HA SER 704 180.916 8.787 -3.702 861 1HB SER 704 1HB SER 704 183.582 7.874 -2.603 862 2HB SER 704 2HB SER 704 183.318 9.459 -3.330 863 HG SER 704 HG SER 704 182.922 9.848 -1.253 864 H ARG 705 H ARG 705 180.774 8.918 -5.837 865 HA ARG 705 HA ARG 705 182.267 7.141 -7.555 866 1HB ARG 705 1HB ARG 705 179.843 7.945 -7.890 867 2HB ARG 705 2HB ARG 705 180.558 9.439 -8.477 868 1HG ARG 705 1HG ARG 705 180.216 8.267 -10.424 869 2HG ARG 705 2HG ARG 705 181.899 7.880 -10.057 870 1HD ARG 705 1HD ARG 705 181.200 5.771 -9.048 871 2HD ARG 705 2HD ARG 705 179.513 6.162 -9.380 872 HE ARG 705 HE ARG 705 179.828 5.537 -11.562 873 1HH1 ARG 705 1HH1 ARG 705 182.939 5.898 -10.022 874 2HH1 ARG 705 2HH1 ARG 705 183.816 5.218 -11.351 875 1HH2 ARG 705 1HH2 ARG 705 180.980 4.643 -13.311 876 2HH2 ARG 705 2HH2 ARG 705 182.705 4.507 -13.220 877 H GLU 943 H GLU 943 191.861 -12.940 -1.753 878 HA GLU 943 HA GLU 943 191.396 -10.794 -2.388 879 1HB GLU 943 1HB GLU 943 191.138 -11.851 -4.877 880 2HB GLU 943 2HB GLU 943 189.453 -11.521 -4.496 881 1HG GLU 943 1HG GLU 943 189.888 -9.490 -5.310 882 2HG GLU 943 2HG GLU 943 190.630 -9.197 -3.736 883 H GLU 944 H GLU 944 188.774 -9.976 -2.995 884 HA GLU 944 HA GLU 944 186.738 -9.704 -2.024 885 1HB GLU 944 1HB GLU 944 187.090 -12.669 -1.648 886 2HB GLU 944 2HB GLU 944 185.637 -11.821 -1.135 887 1HG GLU 944 1HG GLU 944 184.999 -11.327 -3.296 888 2HG GLU 944 2HG GLU 944 186.627 -11.539 -3.934 889 H GLY 945 H GLY 945 185.550 -9.809 0.113 890 1HA GLY 945 1HA GLY 945 187.348 -10.238 2.387 891 2HA GLY 945 2HA GLY 945 186.717 -8.620 2.144 892 H ILE 946 H ILE 946 184.113 -8.886 1.628 893 HA ILE 946 HA ILE 946 183.043 -10.611 3.759 894 HB ILE 946 HB ILE 946 181.492 -8.211 3.646 895 1HG1 ILE 946 1HG1 ILE 946 183.957 -7.462 2.914 896 2HG1 ILE 946 2HG1 ILE 946 182.948 -6.474 3.946 897 1HG2 ILE 946 1HG2 ILE 946 183.244 -9.337 5.827 898 2HG2 ILE 946 2HG2 ILE 946 181.576 -9.805 5.497 899 3HG2 ILE 946 3HG2 ILE 946 181.943 -8.165 6.033 900 1HD1 ILE 946 1HD1 ILE 946 185.250 -6.633 4.750 901 2HD1 ILE 946 2HD1 ILE 946 185.059 -8.380 4.907 902 3HD1 ILE 946 3HD1 ILE 946 184.094 -7.294 5.908 903 H TRP 947 H TRP 947 180.796 -11.043 3.659 904 HA TRP 947 HA TRP 947 179.722 -10.990 0.922 905 1HB TRP 947 1HB TRP 947 179.832 -13.032 2.940 906 2HB TRP 947 2HB TRP 947 178.150 -12.678 2.563 907 HD1 TRP 947 HD1 TRP 947 180.052 -15.326 1.742 908 HE1 TRP 947 HE1 TRP 947 179.919 -16.094 -0.711 909 HE3 TRP 947 HE3 TRP 947 178.196 -11.047 -0.360 910 HZ2 TRP 947 HZ2 TRP 947 179.133 -15.029 -3.204 911 HZ3 TRP 947 HZ3 TRP 947 177.781 -11.006 -2.785 912 HH2 TRP 947 HH2 TRP 947 178.242 -12.958 -4.176 913 H ALA 948 H ALA 948 178.295 -9.416 0.577 914 HA ALA 948 HA ALA 948 176.205 -8.952 2.559 915 1HB ALA 948 1HB ALA 948 177.603 -7.261 3.300 916 2HB ALA 948 2HB ALA 948 176.581 -6.419 2.136 917 3HB ALA 948 3HB ALA 948 178.211 -6.914 1.680 Start of MODEL 11 1 H HIS 597 H HIS 597 162.292 2.297 1.461 2 HA HIS 597 HA HIS 597 162.191 4.289 0.011 3 1HB HIS 597 1HB HIS 597 163.560 3.678 2.373 4 2HB HIS 597 2HB HIS 597 164.707 4.619 1.427 5 HD1 HIS 597 HD1 HIS 597 164.150 7.099 1.014 6 HD2 HIS 597 HD2 HIS 597 161.286 5.077 3.245 7 HE1 HIS 597 HE1 HIS 597 162.660 8.884 1.969 8 HE2 HIS 597 HE2 HIS 597 160.988 7.643 3.389 9 HA PRO 598 HA PRO 598 165.035 4.288 -3.396 10 1HB PRO 598 1HB PRO 598 164.821 6.857 -4.171 11 2HB PRO 598 2HB PRO 598 163.506 5.697 -4.398 12 1HG PRO 598 1HG PRO 598 163.855 7.773 -2.270 13 2HG PRO 598 2HG PRO 598 162.397 7.340 -3.181 14 1HD PRO 598 1HD PRO 598 162.903 6.453 -0.651 15 2HD PRO 598 2HD PRO 598 161.938 5.542 -1.828 16 H VAL 599 H VAL 599 166.953 5.536 -4.217 17 HA VAL 599 HA VAL 599 168.550 6.498 -1.940 18 HB VAL 599 HB VAL 599 169.269 4.869 -4.341 19 1HG1 VAL 599 1HG1 VAL 599 171.683 5.346 -3.885 20 2HG1 VAL 599 2HG1 VAL 599 171.167 6.700 -2.877 21 3HG1 VAL 599 3HG1 VAL 599 170.798 6.694 -4.601 22 1HG2 VAL 599 1HG2 VAL 599 170.723 3.809 -2.512 23 2HG2 VAL 599 2HG2 VAL 599 168.975 3.590 -2.415 24 3HG2 VAL 599 3HG2 VAL 599 169.772 4.785 -1.392 25 H THR 600 H THR 600 169.982 8.244 -2.251 26 HA THR 600 HA THR 600 169.503 9.877 -4.645 27 HB THR 600 HB THR 600 169.657 11.856 -2.915 28 HG1 THR 600 HG1 THR 600 169.965 10.436 -1.120 29 1HG2 THR 600 1HG2 THR 600 167.715 11.534 -4.296 30 2HG2 THR 600 2HG2 THR 600 167.217 11.858 -2.635 31 3HG2 THR 600 3HG2 THR 600 167.166 10.212 -3.267 32 H TRP 601 H TRP 601 171.148 11.408 -5.130 33 HA TRP 601 HA TRP 601 173.697 10.997 -3.722 34 1HB TRP 601 1HB TRP 601 173.437 11.170 -6.729 35 2HB TRP 601 2HB TRP 601 174.902 10.854 -5.806 36 HD1 TRP 601 HD1 TRP 601 171.441 9.156 -6.316 37 HE1 TRP 601 HE1 TRP 601 171.810 6.610 -6.323 38 HE3 TRP 601 HE3 TRP 601 176.471 9.062 -5.403 39 HZ2 TRP 601 HZ2 TRP 601 173.949 4.799 -5.985 40 HZ3 TRP 601 HZ3 TRP 601 177.602 6.881 -5.260 41 HH2 TRP 601 HH2 TRP 601 176.365 4.795 -5.544 42 H GLN 602 H GLN 602 174.735 12.826 -3.224 43 HA GLN 602 HA GLN 602 173.922 15.303 -4.597 44 1HB GLN 602 1HB GLN 602 174.168 16.506 -2.495 45 2HB GLN 602 2HB GLN 602 173.009 15.196 -2.311 46 1HG GLN 602 1HG GLN 602 174.614 13.854 -1.152 47 2HG GLN 602 2HG GLN 602 175.894 15.021 -1.481 48 1HE2 GLN 602 1HE2 GLN 602 176.369 16.318 0.130 49 2HE2 GLN 602 2HE2 GLN 602 175.310 16.793 1.409 50 HA PRO 603 HA PRO 603 178.097 16.337 -5.490 51 1HB PRO 603 1HB PRO 603 177.811 18.878 -3.979 52 2HB PRO 603 2HB PRO 603 178.256 18.616 -5.669 53 1HG PRO 603 1HG PRO 603 175.842 19.542 -5.026 54 2HG PRO 603 2HG PRO 603 176.052 18.382 -6.351 55 1HD PRO 603 1HD PRO 603 175.069 17.918 -3.565 56 2HD PRO 603 2HD PRO 603 174.496 17.220 -5.093 57 H SER 604 H SER 604 179.974 15.786 -4.625 58 HA SER 604 HA SER 604 180.247 15.024 -1.944 59 1HB SER 604 1HB SER 604 181.614 14.236 -3.954 60 2HB SER 604 2HB SER 604 182.567 15.707 -3.746 61 HG SER 604 HG SER 604 182.906 13.443 -2.506 62 H LYS 605 H LYS 605 182.463 15.891 -0.823 63 HA LYS 605 HA LYS 605 181.787 18.570 0.002 64 1HB LYS 605 1HB LYS 605 183.308 16.339 1.069 65 2HB LYS 605 2HB LYS 605 184.170 17.859 1.265 66 1HG LYS 605 1HG LYS 605 181.768 18.641 2.112 67 2HG LYS 605 2HG LYS 605 181.657 16.925 2.508 68 1HD LYS 605 1HD LYS 605 184.024 18.597 3.304 69 2HD LYS 605 2HD LYS 605 182.577 18.485 4.308 70 1HE LYS 605 1HE LYS 605 182.853 16.141 4.588 71 2HE LYS 605 2HE LYS 605 184.109 16.077 3.352 72 1HZ LYS 605 1HZ LYS 605 184.569 17.809 5.661 73 2HZ LYS 605 2HZ LYS 605 185.670 16.890 4.763 74 3HZ LYS 605 3HZ LYS 605 184.678 16.138 5.908 75 H GLU 606 H GLU 606 183.738 17.297 -2.418 76 HA GLU 606 HA GLU 606 185.588 19.573 -2.340 77 1HB GLU 606 1HB GLU 606 186.963 18.326 -3.912 78 2HB GLU 606 2HB GLU 606 186.611 17.340 -2.499 79 1HG GLU 606 1HG GLU 606 184.606 16.540 -4.048 80 2HG GLU 606 2HG GLU 606 185.743 17.018 -5.307 81 H GLY 607 H GLY 607 182.825 18.378 -3.956 82 1HA GLY 607 1HA GLY 607 181.520 19.504 -5.514 83 2HA GLY 607 2HA GLY 607 182.809 20.682 -5.701 84 H ASP 608 H ASP 608 183.925 17.494 -5.980 85 HA ASP 608 HA ASP 608 183.703 17.609 -8.913 86 1HB ASP 608 1HB ASP 608 186.090 17.476 -7.216 87 2HB ASP 608 2HB ASP 608 186.055 16.249 -8.480 88 H ARG 609 H ARG 609 182.896 15.890 -6.204 89 HA ARG 609 HA ARG 609 182.708 13.395 -7.750 90 1HB ARG 609 1HB ARG 609 183.948 13.865 -5.140 91 2HB ARG 609 2HB ARG 609 182.771 12.558 -5.121 92 1HG ARG 609 1HG ARG 609 184.834 12.633 -7.271 93 2HG ARG 609 2HG ARG 609 185.275 12.079 -5.655 94 1HD ARG 609 1HD ARG 609 182.866 10.793 -6.253 95 2HD ARG 609 2HD ARG 609 183.820 10.710 -7.732 96 HE ARG 609 HE ARG 609 184.335 9.347 -5.255 97 1HH1 ARG 609 1HH1 ARG 609 185.753 10.555 -8.206 98 2HH1 ARG 609 2HH1 ARG 609 187.089 9.455 -8.161 99 1HH2 ARG 609 1HH2 ARG 609 186.093 7.900 -5.194 100 2HH2 ARG 609 2HH2 ARG 609 187.282 7.947 -6.453 101 H LEU 610 H LEU 610 180.942 11.986 -7.110 102 HA LEU 610 HA LEU 610 178.688 13.507 -5.973 103 1HB LEU 610 1HB LEU 610 178.929 12.232 -8.455 104 2HB LEU 610 2HB LEU 610 177.897 11.183 -7.503 105 HG LEU 610 HG LEU 610 176.656 12.843 -8.876 106 1HD1 LEU 610 1HD1 LEU 610 176.397 12.497 -5.966 107 2HD1 LEU 610 2HD1 LEU 610 175.234 12.198 -7.258 108 3HD1 LEU 610 3HD1 LEU 610 175.487 13.838 -6.662 109 1HD2 LEU 610 1HD2 LEU 610 176.762 15.135 -8.494 110 2HD2 LEU 610 2HD2 LEU 610 178.452 14.635 -8.437 111 3HD2 LEU 610 3HD2 LEU 610 177.571 14.937 -6.940 112 H ILE 611 H ILE 611 178.188 12.868 -3.989 113 HA ILE 611 HA ILE 611 178.721 10.095 -3.198 114 HB ILE 611 HB ILE 611 177.986 12.406 -1.402 115 1HG1 ILE 611 1HG1 ILE 611 180.073 12.938 -2.520 116 2HG1 ILE 611 2HG1 ILE 611 180.409 12.486 -0.851 117 1HG2 ILE 611 1HG2 ILE 611 177.611 10.050 -0.600 118 2HG2 ILE 611 2HG2 ILE 611 178.689 11.027 0.396 119 3HG2 ILE 611 3HG2 ILE 611 179.357 9.820 -0.703 120 1HD1 ILE 611 1HD1 ILE 611 181.299 11.271 -3.329 121 2HD1 ILE 611 2HD1 ILE 611 180.621 10.100 -2.197 122 3HD1 ILE 611 3HD1 ILE 611 181.957 11.138 -1.697 123 H GLY 612 H GLY 612 177.149 8.776 -2.320 124 1HA GLY 612 1HA GLY 612 174.393 9.807 -2.298 125 2HA GLY 612 2HA GLY 612 174.765 8.363 -3.227 126 H ARG 613 H ARG 613 172.859 8.405 -1.189 127 HA ARG 613 HA ARG 613 174.177 6.831 0.926 128 1HB ARG 613 1HB ARG 613 172.076 7.338 2.259 129 2HB ARG 613 2HB ARG 613 173.146 8.702 1.960 130 1HG ARG 613 1HG ARG 613 171.692 9.690 0.467 131 2HG ARG 613 2HG ARG 613 170.864 8.173 0.109 132 1HD ARG 613 1HD ARG 613 169.419 9.571 1.435 133 2HD ARG 613 2HD ARG 613 169.931 8.187 2.399 134 HE ARG 613 HE ARG 613 171.740 10.083 3.052 135 1HH1 ARG 613 1HH1 ARG 613 168.251 10.059 2.976 136 2HH1 ARG 613 2HH1 ARG 613 168.090 11.201 4.268 137 1HH2 ARG 613 1HH2 ARG 613 171.531 11.587 4.751 138 2HH2 ARG 613 2HH2 ARG 613 169.952 12.072 5.274 139 H VAL 614 H VAL 614 173.800 4.694 0.865 140 HA VAL 614 HA VAL 614 171.373 3.793 -0.534 141 HB VAL 614 HB VAL 614 173.995 2.319 -0.299 142 1HG1 VAL 614 1HG1 VAL 614 172.595 0.580 -0.644 143 2HG1 VAL 614 2HG1 VAL 614 172.692 1.122 -2.319 144 3HG1 VAL 614 3HG1 VAL 614 171.322 1.598 -1.316 145 1HG2 VAL 614 1HG2 VAL 614 173.570 4.481 -1.865 146 2HG2 VAL 614 2HG2 VAL 614 173.030 3.189 -2.938 147 3HG2 VAL 614 3HG2 VAL 614 174.665 3.162 -2.277 148 H ILE 615 H ILE 615 169.993 2.504 0.489 149 HA ILE 615 HA ILE 615 170.791 1.427 3.116 150 HB ILE 615 HB ILE 615 167.945 1.968 2.293 151 1HG1 ILE 615 1HG1 ILE 615 169.195 4.087 2.151 152 2HG1 ILE 615 2HG1 ILE 615 168.064 4.095 3.500 153 1HG2 ILE 615 1HG2 ILE 615 168.192 0.472 4.153 154 2HG2 ILE 615 2HG2 ILE 615 167.619 2.028 4.755 155 3HG2 ILE 615 3HG2 ILE 615 169.313 1.576 4.948 156 1HD1 ILE 615 1HD1 ILE 615 169.792 3.843 5.076 157 2HD1 ILE 615 2HD1 ILE 615 170.345 5.070 3.934 158 3HD1 ILE 615 3HD1 ILE 615 170.969 3.423 3.832 159 H LEU 616 H LEU 616 170.905 -0.725 3.222 160 HA LEU 616 HA LEU 616 169.289 -2.294 1.322 161 1HB LEU 616 1HB LEU 616 172.162 -2.374 1.939 162 2HB LEU 616 2HB LEU 616 171.382 -3.945 1.916 163 HG LEU 616 HG LEU 616 171.317 -1.954 -0.353 164 1HD1 LEU 616 1HD1 LEU 616 173.151 -2.888 -1.224 165 2HD1 LEU 616 2HD1 LEU 616 172.662 -4.515 -0.754 166 3HD1 LEU 616 3HD1 LEU 616 173.463 -3.463 0.414 167 1HD2 LEU 616 1HD2 LEU 616 169.945 -3.342 -1.469 168 2HD2 LEU 616 2HD2 LEU 616 169.486 -3.865 0.151 169 3HD2 LEU 616 3HD2 LEU 616 170.668 -4.790 -0.772 170 H ASN 617 H ASN 617 168.496 -4.298 2.020 171 HA ASN 617 HA ASN 617 168.574 -4.745 4.931 172 1HB ASN 617 1HB ASN 617 166.221 -4.696 3.062 173 2HB ASN 617 2HB ASN 617 166.169 -5.652 4.541 174 1HD2 ASN 617 1HD2 ASN 617 165.313 -4.668 6.209 175 2HD2 ASN 617 2HD2 ASN 617 165.291 -2.963 6.491 176 H LYS 618 H LYS 618 169.068 -6.780 5.545 177 HA LYS 618 HA LYS 618 169.287 -8.793 3.417 178 1HB LYS 618 1HB LYS 618 170.717 -9.965 5.260 179 2HB LYS 618 2HB LYS 618 171.400 -8.636 4.335 180 1HG LYS 618 1HG LYS 618 171.204 -7.139 6.117 181 2HG LYS 618 2HG LYS 618 170.067 -8.178 6.979 182 1HD LYS 618 1HD LYS 618 172.183 -8.334 8.081 183 2HD LYS 618 2HD LYS 618 171.907 -9.852 7.226 184 1HE LYS 618 1HE LYS 618 174.156 -9.273 6.806 185 2HE LYS 618 2HE LYS 618 173.273 -8.883 5.332 186 1HZ LYS 618 1HZ LYS 618 173.499 -6.647 5.678 187 2HZ LYS 618 2HZ LYS 618 174.948 -7.194 6.357 188 3HZ LYS 618 3HZ LYS 618 173.645 -6.791 7.357 189 H ARG 619 H ARG 619 167.981 -8.245 6.635 190 HA ARG 619 HA ARG 619 167.116 -10.862 7.160 191 1HB ARG 619 1HB ARG 619 166.490 -8.165 8.205 192 2HB ARG 619 2HB ARG 619 165.272 -9.402 8.485 193 1HG ARG 619 1HG ARG 619 167.512 -10.728 9.219 194 2HG ARG 619 2HG ARG 619 167.940 -9.076 9.662 195 1HD ARG 619 1HD ARG 619 165.690 -8.962 10.831 196 2HD ARG 619 2HD ARG 619 165.597 -10.709 10.605 197 HE ARG 619 HE ARG 619 167.144 -9.318 12.547 198 1HH1 ARG 619 1HH1 ARG 619 167.116 -12.167 10.531 199 2HH1 ARG 619 2HH1 ARG 619 168.142 -13.077 11.588 200 1HH2 ARG 619 1HH2 ARG 619 168.495 -10.513 13.937 201 2HH2 ARG 619 2HH2 ARG 619 168.928 -12.137 13.520 202 H THR 620 H THR 620 165.834 -8.390 5.097 203 HA THR 620 HA THR 620 163.238 -9.646 4.849 204 HB THR 620 HB THR 620 162.793 -7.879 3.190 205 HG1 THR 620 HG1 THR 620 164.968 -7.756 2.392 206 1HG2 THR 620 1HG2 THR 620 163.500 -5.864 4.715 207 2HG2 THR 620 2HG2 THR 620 163.858 -7.154 5.863 208 3HG2 THR 620 3HG2 THR 620 162.230 -6.986 5.205 209 H THR 621 H THR 621 162.597 -11.013 3.278 210 HA THR 621 HA THR 621 164.608 -12.207 1.611 211 HB THR 621 HB THR 621 162.187 -13.246 0.769 212 HG1 THR 621 HG1 THR 621 161.984 -12.866 3.563 213 1HG2 THR 621 1HG2 THR 621 164.291 -14.418 1.607 214 2HG2 THR 621 2HG2 THR 621 162.735 -15.184 1.928 215 3HG2 THR 621 3HG2 THR 621 163.563 -14.297 3.209 216 H MET 622 H MET 622 164.792 -12.145 -0.601 217 HA MET 622 HA MET 622 163.717 -9.793 -1.884 218 1HB MET 622 1HB MET 622 165.682 -11.920 -2.683 219 2HB MET 622 2HB MET 622 165.058 -10.785 -3.871 220 1HG MET 622 1HG MET 622 166.252 -9.060 -3.056 221 2HG MET 622 2HG MET 622 166.101 -9.602 -1.385 222 1HE MET 622 1HE MET 622 166.806 -12.080 -1.052 223 2HE MET 622 2HE MET 622 168.511 -11.981 -0.614 224 3HE MET 622 3HE MET 622 168.016 -12.913 -2.028 225 HA PRO 623 HA PRO 623 160.407 -11.468 -4.253 226 1HB PRO 623 1HB PRO 623 161.715 -10.702 -6.796 227 2HB PRO 623 2HB PRO 623 160.165 -10.182 -6.129 228 1HG PRO 623 1HG PRO 623 162.270 -8.534 -6.180 229 2HG PRO 623 2HG PRO 623 161.132 -8.533 -4.820 230 1HD PRO 623 1HD PRO 623 163.860 -9.753 -5.009 231 2HD PRO 623 2HD PRO 623 163.105 -8.886 -3.655 232 H LYS 624 H LYS 624 163.637 -12.272 -5.350 233 HA LYS 624 HA LYS 624 162.660 -14.712 -6.642 234 1HB LYS 624 1HB LYS 624 165.099 -14.913 -7.355 235 2HB LYS 624 2HB LYS 624 164.181 -13.583 -8.044 236 1HG LYS 624 1HG LYS 624 165.656 -12.125 -7.278 237 2HG LYS 624 2HG LYS 624 165.407 -12.695 -5.628 238 1HD LYS 624 1HD LYS 624 166.960 -14.676 -6.543 239 2HD LYS 624 2HD LYS 624 167.538 -13.359 -7.567 240 1HE LYS 624 1HE LYS 624 167.249 -12.976 -4.612 241 2HE LYS 624 2HE LYS 624 168.673 -13.780 -5.272 242 1HZ LYS 624 1HZ LYS 624 167.742 -11.023 -5.845 243 2HZ LYS 624 2HZ LYS 624 168.982 -11.787 -6.705 244 3HZ LYS 624 3HZ LYS 624 169.164 -11.482 -5.052 245 H GLU 625 H GLU 625 164.683 -13.600 -3.992 246 HA GLU 625 HA GLU 625 165.534 -14.650 -2.166 247 1HB GLU 625 1HB GLU 625 163.409 -16.649 -2.927 248 2HB GLU 625 2HB GLU 625 164.400 -16.814 -1.483 249 1HG GLU 625 1HG GLU 625 162.933 -15.566 -0.403 250 2HG GLU 625 2HG GLU 625 163.416 -14.204 -1.414 251 H SER 626 H SER 626 167.384 -14.786 -3.795 252 HA SER 626 HA SER 626 168.295 -17.572 -3.865 253 1HB SER 626 1HB SER 626 167.421 -16.598 -6.138 254 2HB SER 626 2HB SER 626 168.979 -15.772 -6.160 255 HG SER 626 HG SER 626 168.542 -18.570 -5.968 256 H GLY 627 H GLY 627 168.967 -14.237 -3.347 257 1HA GLY 627 1HA GLY 627 171.766 -14.221 -3.597 258 2HA GLY 627 2HA GLY 627 170.824 -13.128 -2.594 259 H ALA 628 H ALA 628 171.682 -13.104 -0.622 260 HA ALA 628 HA ALA 628 171.676 -15.409 1.018 261 1HB ALA 628 1HB ALA 628 173.617 -16.241 0.147 262 2HB ALA 628 2HB ALA 628 174.274 -15.199 1.409 263 3HB ALA 628 3HB ALA 628 174.245 -14.646 -0.265 264 H LEU 629 H LEU 629 172.996 -12.179 0.493 265 HA LEU 629 HA LEU 629 172.516 -11.617 3.338 266 1HB LEU 629 1HB LEU 629 174.473 -9.949 1.867 267 2HB LEU 629 2HB LEU 629 174.427 -10.388 3.554 268 HG LEU 629 HG LEU 629 176.357 -11.364 2.541 269 1HD1 LEU 629 1HD1 LEU 629 174.686 -13.778 2.696 270 2HD1 LEU 629 2HD1 LEU 629 174.701 -12.716 4.103 271 3HD1 LEU 629 3HD1 LEU 629 176.213 -13.387 3.488 272 1HD2 LEU 629 1HD2 LEU 629 176.430 -12.025 0.440 273 2HD2 LEU 629 2HD2 LEU 629 174.709 -11.689 0.286 274 3HD2 LEU 629 3HD2 LEU 629 175.253 -13.294 0.772 275 H LEU 630 H LEU 630 173.397 -9.224 0.879 276 HA LEU 630 HA LEU 630 170.651 -8.191 1.040 277 1HB LEU 630 1HB LEU 630 172.158 -5.940 0.550 278 2HB LEU 630 2HB LEU 630 171.427 -6.384 2.077 279 HG LEU 630 HG LEU 630 174.210 -7.233 1.347 280 1HD1 LEU 630 1HD1 LEU 630 174.599 -4.996 1.281 281 2HD1 LEU 630 2HD1 LEU 630 174.714 -5.261 3.022 282 3HD1 LEU 630 3HD1 LEU 630 173.227 -4.618 2.324 283 1HD2 LEU 630 1HD2 LEU 630 173.482 -8.497 3.146 284 2HD2 LEU 630 2HD2 LEU 630 172.583 -7.152 3.848 285 3HD2 LEU 630 3HD2 LEU 630 174.346 -7.160 3.904 286 H GLY 631 H GLY 631 173.636 -8.347 -0.908 287 1HA GLY 631 1HA GLY 631 172.616 -9.061 -3.266 288 2HA GLY 631 2HA GLY 631 172.157 -7.372 -3.224 289 H LEU 632 H LEU 632 175.154 -7.778 -1.676 290 HA LEU 632 HA LEU 632 176.750 -7.797 -4.062 291 1HB LEU 632 1HB LEU 632 177.229 -5.619 -4.362 292 2HB LEU 632 2HB LEU 632 175.650 -5.412 -3.637 293 HG LEU 632 HG LEU 632 178.336 -5.033 -2.322 294 1HD1 LEU 632 1HD1 LEU 632 176.050 -3.103 -2.541 295 2HD1 LEU 632 2HD1 LEU 632 177.290 -3.240 -3.786 296 3HD1 LEU 632 3HD1 LEU 632 177.736 -2.772 -2.145 297 1HD2 LEU 632 1HD2 LEU 632 176.237 -4.230 -0.610 298 2HD2 LEU 632 2HD2 LEU 632 177.445 -5.486 -0.346 299 3HD2 LEU 632 3HD2 LEU 632 175.905 -5.888 -1.107 300 H LYS 633 H LYS 633 178.969 -7.987 -3.706 301 HA LYS 633 HA LYS 633 179.689 -8.628 -0.930 302 1HB LYS 633 1HB LYS 633 180.025 -10.438 -2.533 303 2HB LYS 633 2HB LYS 633 180.999 -9.387 -3.552 304 1HG LYS 633 1HG LYS 633 182.613 -9.188 -1.645 305 2HG LYS 633 2HG LYS 633 181.683 -10.442 -0.821 306 1HD LYS 633 1HD LYS 633 182.508 -11.023 -3.600 307 2HD LYS 633 2HD LYS 633 183.795 -10.964 -2.394 308 1HE LYS 633 1HE LYS 633 181.335 -12.703 -2.359 309 2HE LYS 633 2HE LYS 633 183.005 -13.226 -2.573 310 1HZ LYS 633 1HZ LYS 633 181.635 -12.338 -0.132 311 2HZ LYS 633 2HZ LYS 633 183.304 -12.095 -0.265 312 3HZ LYS 633 3HZ LYS 633 182.668 -13.659 -0.366 313 H VAL 634 H VAL 634 181.134 -7.382 0.143 314 HA VAL 634 HA VAL 634 182.492 -5.289 -1.420 315 HB VAL 634 HB VAL 634 181.247 -5.238 1.294 316 1HG1 VAL 634 1HG1 VAL 634 182.443 -3.129 1.792 317 2HG1 VAL 634 2HG1 VAL 634 183.472 -3.409 0.387 318 3HG1 VAL 634 3HG1 VAL 634 183.520 -4.527 1.749 319 1HG2 VAL 634 1HG2 VAL 634 179.785 -4.161 -0.016 320 2HG2 VAL 634 2HG2 VAL 634 180.982 -3.872 -1.281 321 3HG2 VAL 634 3HG2 VAL 634 180.905 -2.805 0.122 322 H VAL 635 H VAL 635 184.538 -4.570 -0.741 323 HA VAL 635 HA VAL 635 186.072 -6.512 0.850 324 HB VAL 635 HB VAL 635 186.426 -5.710 -1.927 325 1HG1 VAL 635 1HG1 VAL 635 188.890 -5.599 -1.858 326 2HG1 VAL 635 2HG1 VAL 635 188.812 -5.498 -0.099 327 3HG1 VAL 635 3HG1 VAL 635 188.116 -4.214 -1.088 328 1HG2 VAL 635 1HG2 VAL 635 188.020 -7.724 -1.722 329 2HG2 VAL 635 2HG2 VAL 635 186.283 -7.966 -1.516 330 3HG2 VAL 635 3HG2 VAL 635 187.334 -7.880 -0.105 331 H GLY 636 H GLY 636 187.123 -5.607 2.509 332 1HA GLY 636 1HA GLY 636 187.446 -2.681 2.492 333 2HA GLY 636 2HA GLY 636 187.361 -3.685 3.931 334 H GLY 637 H GLY 637 189.342 -1.852 3.750 335 1HA GLY 637 1HA GLY 637 191.604 -1.807 4.244 336 2HA GLY 637 2HA GLY 637 191.679 -3.527 3.897 337 H LYS 638 H LYS 638 190.475 -1.056 1.696 338 HA LYS 638 HA LYS 638 192.661 -1.754 -0.143 339 1HB LYS 638 1HB LYS 638 189.873 -0.715 -0.623 340 2HB LYS 638 2HB LYS 638 191.103 -0.717 -1.878 341 1HG LYS 638 1HG LYS 638 189.990 -3.118 -0.443 342 2HG LYS 638 2HG LYS 638 189.697 -2.650 -2.119 343 1HD LYS 638 1HD LYS 638 192.227 -2.828 -2.428 344 2HD LYS 638 2HD LYS 638 192.238 -3.663 -0.873 345 1HE LYS 638 1HE LYS 638 192.162 -5.204 -2.808 346 2HE LYS 638 2HE LYS 638 190.779 -5.377 -1.728 347 1HZ LYS 638 1HZ LYS 638 189.390 -4.263 -3.240 348 2HZ LYS 638 2HZ LYS 638 190.285 -5.344 -4.183 349 3HZ LYS 638 3HZ LYS 638 190.688 -3.702 -4.169 350 H MET 639 H MET 639 194.245 -0.331 0.481 351 HA MET 639 HA MET 639 193.891 2.361 1.152 352 1HB MET 639 1HB MET 639 195.948 1.105 1.630 353 2HB MET 639 2HB MET 639 196.308 1.032 -0.089 354 1HG MET 639 1HG MET 639 197.340 2.980 0.009 355 2HG MET 639 2HG MET 639 195.885 3.751 0.637 356 1HE MET 639 1HE MET 639 196.366 4.137 4.295 357 2HE MET 639 2HE MET 639 195.458 2.752 3.687 358 3HE MET 639 3HE MET 639 195.361 4.304 2.856 359 H THR 640 H THR 640 193.001 3.872 -0.086 360 HA THR 640 HA THR 640 193.204 3.719 -2.980 361 HB THR 640 HB THR 640 191.677 5.719 -2.893 362 HG1 THR 640 HG1 THR 640 190.765 6.191 -0.861 363 1HG2 THR 640 1HG2 THR 640 190.736 3.470 -3.076 364 2HG2 THR 640 2HG2 THR 640 189.705 4.548 -2.137 365 3HG2 THR 640 3HG2 THR 640 190.705 3.350 -1.317 366 H ASP 641 H ASP 641 193.308 6.153 -3.940 367 HA ASP 641 HA ASP 641 196.016 6.921 -3.638 368 1HB ASP 641 1HB ASP 641 193.700 7.812 -5.246 369 2HB ASP 641 2HB ASP 641 194.948 9.022 -4.967 370 H LEU 642 H LEU 642 193.213 7.750 -1.886 371 HA LEU 642 HA LEU 642 193.959 10.389 -1.111 372 1HB LEU 642 1HB LEU 642 192.052 8.391 0.097 373 2HB LEU 642 2HB LEU 642 192.263 10.018 0.715 374 HG LEU 642 HG LEU 642 190.311 10.031 -0.640 375 1HD1 LEU 642 1HD1 LEU 642 190.782 11.769 -2.121 376 2HD1 LEU 642 2HD1 LEU 642 192.395 11.153 -2.478 377 3HD1 LEU 642 3HD1 LEU 642 192.058 11.885 -0.910 378 1HD2 LEU 642 1HD2 LEU 642 191.218 7.922 -1.924 379 2HD2 LEU 642 2HD2 LEU 642 191.753 9.136 -3.084 380 3HD2 LEU 642 3HD2 LEU 642 190.044 9.006 -2.669 381 H GLY 643 H GLY 643 194.716 7.188 0.031 382 1HA GLY 643 1HA GLY 643 196.748 6.850 1.282 383 2HA GLY 643 2HA GLY 643 196.476 8.402 2.058 384 H ARG 644 H ARG 644 193.645 6.547 1.756 385 HA ARG 644 HA ARG 644 193.974 5.455 4.467 386 1HB ARG 644 1HB ARG 644 191.550 6.048 4.854 387 2HB ARG 644 2HB ARG 644 192.663 7.409 4.797 388 1HG ARG 644 1HG ARG 644 191.592 8.328 3.082 389 2HG ARG 644 2HG ARG 644 191.585 6.811 2.181 390 1HD ARG 644 1HD ARG 644 189.408 6.619 2.566 391 2HD ARG 644 2HD ARG 644 189.736 6.522 4.295 392 HE ARG 644 HE ARG 644 189.022 8.687 4.524 393 1HH1 ARG 644 1HH1 ARG 644 189.537 8.011 1.138 394 2HH1 ARG 644 2HH1 ARG 644 188.819 9.493 0.605 395 1HH2 ARG 644 1HH2 ARG 644 188.076 10.637 3.823 396 2HH2 ARG 644 2HH2 ARG 644 187.988 10.983 2.128 397 H LEU 645 H LEU 645 192.222 3.827 4.979 398 HA LEU 645 HA LEU 645 191.967 2.029 2.695 399 1HB LEU 645 1HB LEU 645 191.523 1.601 5.649 400 2HB LEU 645 2HB LEU 645 191.292 0.362 4.428 401 HG LEU 645 HG LEU 645 193.896 1.713 5.138 402 1HD1 LEU 645 1HD1 LEU 645 194.511 -0.219 6.218 403 2HD1 LEU 645 2HD1 LEU 645 193.364 -1.214 5.322 404 3HD1 LEU 645 3HD1 LEU 645 192.792 -0.148 6.606 405 1HD2 LEU 645 1HD2 LEU 645 194.641 -0.307 3.571 406 2HD2 LEU 645 2HD2 LEU 645 194.299 1.305 2.941 407 3HD2 LEU 645 3HD2 LEU 645 193.075 0.039 2.837 408 H GLY 646 H GLY 646 189.997 1.044 2.105 409 1HA GLY 646 1HA GLY 646 187.541 2.078 3.293 410 2HA GLY 646 2HA GLY 646 187.827 2.487 1.609 411 H ALA 647 H ALA 647 185.695 1.297 1.510 412 HA ALA 647 HA ALA 647 186.173 -1.598 1.254 413 1HB ALA 647 1HB ALA 647 184.500 -1.661 2.764 414 2HB ALA 647 2HB ALA 647 183.491 -1.468 1.330 415 3HB ALA 647 3HB ALA 647 183.894 -0.066 2.320 416 H PHE 648 H PHE 648 185.652 -2.620 -0.658 417 HA PHE 648 HA PHE 648 184.450 -0.955 -2.770 418 1HB PHE 648 1HB PHE 648 187.017 -2.491 -2.825 419 2HB PHE 648 2HB PHE 648 186.073 -2.353 -4.306 420 HD1 PHE 648 HD1 PHE 648 185.832 -0.240 -5.436 421 HD2 PHE 648 HD2 PHE 648 188.057 -0.545 -1.821 422 HE1 PHE 648 HE1 PHE 648 186.806 1.980 -5.854 423 HE2 PHE 648 HE2 PHE 648 189.035 1.676 -2.232 424 HZ PHE 648 HZ PHE 648 188.408 2.941 -4.250 425 H ILE 649 H ILE 649 182.896 -1.931 -3.956 426 HA ILE 649 HA ILE 649 181.964 -4.505 -3.131 427 HB ILE 649 HB ILE 649 181.039 -2.679 -5.352 428 1HG1 ILE 649 1HG1 ILE 649 179.515 -3.323 -2.849 429 2HG1 ILE 649 2HG1 ILE 649 180.803 -2.122 -2.800 430 1HG2 ILE 649 1HG2 ILE 649 180.471 -4.966 -5.922 431 2HG2 ILE 649 2HG2 ILE 649 179.020 -4.082 -5.446 432 3HG2 ILE 649 3HG2 ILE 649 179.771 -5.214 -4.321 433 1HD1 ILE 649 1HD1 ILE 649 179.683 -0.728 -4.347 434 2HD1 ILE 649 2HD1 ILE 649 178.487 -1.228 -3.151 435 3HD1 ILE 649 3HD1 ILE 649 178.516 -1.989 -4.743 436 H THR 650 H THR 650 182.713 -6.377 -3.829 437 HA THR 650 HA THR 650 184.403 -6.562 -6.142 438 HB THR 650 HB THR 650 184.595 -8.936 -5.550 439 HG1 THR 650 HG1 THR 650 182.579 -9.435 -4.812 440 1HG2 THR 650 1HG2 THR 650 186.068 -7.518 -4.327 441 2HG2 THR 650 2HG2 THR 650 185.415 -8.723 -3.218 442 3HG2 THR 650 3HG2 THR 650 184.788 -7.075 -3.198 443 H LYS 651 H LYS 651 181.070 -7.354 -5.377 444 HA LYS 651 HA LYS 651 180.380 -7.500 -8.131 445 1HB LYS 651 1HB LYS 651 179.757 -9.819 -8.307 446 2HB LYS 651 2HB LYS 651 181.449 -9.721 -7.843 447 1HG LYS 651 1HG LYS 651 180.708 -10.077 -5.466 448 2HG LYS 651 2HG LYS 651 179.101 -10.429 -6.106 449 1HD LYS 651 1HD LYS 651 181.435 -11.871 -7.261 450 2HD LYS 651 2HD LYS 651 180.860 -12.348 -5.661 451 1HE LYS 651 1HE LYS 651 178.523 -12.363 -6.814 452 2HE LYS 651 2HE LYS 651 179.463 -12.484 -8.301 453 1HZ LYS 651 1HZ LYS 651 179.070 -14.443 -6.189 454 2HZ LYS 651 2HZ LYS 651 180.627 -14.370 -6.844 455 3HZ LYS 651 3HZ LYS 651 179.300 -14.670 -7.849 456 H VAL 652 H VAL 652 178.130 -7.757 -8.504 457 HA VAL 652 HA VAL 652 176.450 -7.477 -6.097 458 HB VAL 652 HB VAL 652 175.024 -6.139 -8.030 459 1HG1 VAL 652 1HG1 VAL 652 175.452 -5.555 -5.624 460 2HG1 VAL 652 2HG1 VAL 652 175.399 -4.188 -6.740 461 3HG1 VAL 652 3HG1 VAL 652 176.953 -4.793 -6.155 462 1HG2 VAL 652 1HG2 VAL 652 177.206 -6.262 -9.396 463 2HG2 VAL 652 2HG2 VAL 652 177.792 -5.025 -8.283 464 3HG2 VAL 652 3HG2 VAL 652 176.369 -4.714 -9.278 465 H LYS 653 H LYS 653 174.701 -8.765 -6.004 466 HA LYS 653 HA LYS 653 174.336 -10.776 -8.004 467 1HB LYS 653 1HB LYS 653 173.314 -10.203 -5.317 468 2HB LYS 653 2HB LYS 653 172.124 -10.949 -6.375 469 1HG LYS 653 1HG LYS 653 174.565 -12.353 -6.695 470 2HG LYS 653 2HG LYS 653 174.265 -12.167 -4.965 471 1HD LYS 653 1HD LYS 653 172.040 -13.123 -5.235 472 2HD LYS 653 2HD LYS 653 172.296 -13.261 -6.975 473 1HE LYS 653 1HE LYS 653 174.476 -14.523 -5.669 474 2HE LYS 653 2HE LYS 653 172.990 -15.103 -4.919 475 1HZ LYS 653 1HZ LYS 653 173.039 -16.529 -6.640 476 2HZ LYS 653 2HZ LYS 653 173.997 -15.526 -7.608 477 3HZ LYS 653 3HZ LYS 653 172.333 -15.248 -7.491 478 H LYS 654 H LYS 654 173.381 -10.357 -9.884 479 HA LYS 654 HA LYS 654 171.757 -8.155 -10.446 480 1HB LYS 654 1HB LYS 654 172.997 -9.596 -12.105 481 2HB LYS 654 2HB LYS 654 171.713 -10.784 -11.928 482 1HG LYS 654 1HG LYS 654 170.986 -9.674 -13.778 483 2HG LYS 654 2HG LYS 654 170.179 -8.734 -12.521 484 1HD LYS 654 1HD LYS 654 171.760 -6.990 -12.669 485 2HD LYS 654 2HD LYS 654 172.885 -7.985 -13.598 486 1HE LYS 654 1HE LYS 654 171.475 -7.921 -15.517 487 2HE LYS 654 2HE LYS 654 170.159 -7.190 -14.600 488 1HZ LYS 654 1HZ LYS 654 170.984 -5.318 -15.505 489 2HZ LYS 654 2HZ LYS 654 172.530 -5.961 -15.742 490 3HZ LYS 654 3HZ LYS 654 172.077 -5.394 -14.215 491 H GLY 655 H GLY 655 169.992 -7.843 -9.165 492 1HA GLY 655 1HA GLY 655 167.553 -8.314 -9.388 493 2HA GLY 655 2HA GLY 655 167.974 -10.005 -9.164 494 H SER 656 H SER 656 170.047 -9.079 -7.124 495 HA SER 656 HA SER 656 168.420 -9.452 -4.834 496 1HB SER 656 1HB SER 656 170.521 -9.013 -3.566 497 2HB SER 656 2HB SER 656 170.723 -10.217 -4.839 498 HG SER 656 HG SER 656 171.716 -8.673 -6.110 499 H LEU 657 H LEU 657 168.769 -7.899 -2.884 500 HA LEU 657 HA LEU 657 167.375 -5.542 -3.392 501 1HB LEU 657 1HB LEU 657 169.184 -6.048 -1.038 502 2HB LEU 657 2HB LEU 657 167.831 -4.937 -1.105 503 HG LEU 657 HG LEU 657 166.895 -7.566 -1.750 504 1HD1 LEU 657 1HD1 LEU 657 168.394 -8.767 -0.556 505 2HD1 LEU 657 2HD1 LEU 657 167.360 -8.275 0.785 506 3HD1 LEU 657 3HD1 LEU 657 168.855 -7.399 0.455 507 1HD2 LEU 657 1HD2 LEU 657 166.375 -5.435 0.253 508 2HD2 LEU 657 2HD2 LEU 657 165.729 -7.046 0.566 509 3HD2 LEU 657 3HD2 LEU 657 165.283 -6.187 -0.910 510 H ALA 658 H ALA 658 170.816 -5.965 -2.651 511 HA ALA 658 HA ALA 658 171.687 -3.372 -2.721 512 1HB ALA 658 1HB ALA 658 172.959 -5.640 -2.380 513 2HB ALA 658 2HB ALA 658 173.819 -4.193 -2.909 514 3HB ALA 658 3HB ALA 658 173.359 -5.425 -4.085 515 H ASP 659 H ASP 659 170.701 -5.351 -5.411 516 HA ASP 659 HA ASP 659 171.759 -3.494 -7.370 517 1HB ASP 659 1HB ASP 659 171.575 -6.090 -7.571 518 2HB ASP 659 2HB ASP 659 169.913 -5.754 -8.046 519 H VAL 660 H VAL 660 168.558 -4.709 -6.452 520 HA VAL 660 HA VAL 660 167.169 -2.853 -8.107 521 HB VAL 660 HB VAL 660 165.181 -3.541 -6.536 522 1HG1 VAL 660 1HG1 VAL 660 164.612 -4.798 -8.280 523 2HG1 VAL 660 2HG1 VAL 660 165.932 -5.931 -7.989 524 3HG1 VAL 660 3HG1 VAL 660 166.217 -4.467 -8.932 525 1HG2 VAL 660 1HG2 VAL 660 167.203 -4.769 -5.146 526 2HG2 VAL 660 2HG2 VAL 660 166.537 -6.090 -6.104 527 3HG2 VAL 660 3HG2 VAL 660 165.489 -5.164 -5.028 528 H VAL 661 H VAL 661 167.470 -3.031 -4.536 529 HA VAL 661 HA VAL 661 166.392 -0.346 -4.326 530 HB VAL 661 HB VAL 661 165.711 -2.058 -2.691 531 1HG1 VAL 661 1HG1 VAL 661 168.637 -2.081 -2.068 532 2HG1 VAL 661 2HG1 VAL 661 167.545 -3.437 -2.347 533 3HG1 VAL 661 3HG1 VAL 661 167.445 -2.519 -0.846 534 1HG2 VAL 661 1HG2 VAL 661 166.151 0.547 -2.240 535 2HG2 VAL 661 2HG2 VAL 661 167.202 -0.146 -1.006 536 3HG2 VAL 661 3HG2 VAL 661 165.483 -0.544 -1.026 537 H GLY 662 H GLY 662 169.491 -1.967 -4.051 538 1HA GLY 662 1HA GLY 662 170.838 0.278 -2.876 539 2HA GLY 662 2HA GLY 662 171.599 -1.150 -3.558 540 H HIS 663 H HIS 663 171.083 -1.217 -6.100 541 HA HIS 663 HA HIS 663 171.400 -0.308 -8.157 542 1HB HIS 663 1HB HIS 663 169.957 1.623 -6.901 543 2HB HIS 663 2HB HIS 663 171.419 2.516 -7.306 544 HD1 HIS 663 HD1 HIS 663 170.616 3.907 -9.226 545 HD2 HIS 663 HD2 HIS 663 169.660 -0.112 -9.668 546 HE1 HIS 663 HE1 HIS 663 169.685 3.689 -11.552 547 HE2 HIS 663 HE2 HIS 663 169.195 1.233 -11.827 548 H LEU 664 H LEU 664 173.631 -1.201 -7.114 549 HA LEU 664 HA LEU 664 175.591 0.804 -7.938 550 1HB LEU 664 1HB LEU 664 177.108 -0.254 -6.079 551 2HB LEU 664 2HB LEU 664 176.038 1.085 -5.718 552 HG LEU 664 HG LEU 664 176.094 -0.751 -4.010 553 1HD1 LEU 664 1HD1 LEU 664 173.328 -0.900 -4.536 554 2HD1 LEU 664 2HD1 LEU 664 173.880 0.680 -5.086 555 3HD1 LEU 664 3HD1 LEU 664 174.174 0.173 -3.423 556 1HD2 LEU 664 1HD2 LEU 664 176.028 -2.480 -6.006 557 2HD2 LEU 664 2HD2 LEU 664 174.288 -2.352 -5.736 558 3HD2 LEU 664 3HD2 LEU 664 175.349 -2.860 -4.422 559 H ARG 665 H ARG 665 177.834 -0.353 -8.105 560 HA ARG 665 HA ARG 665 177.504 -3.098 -9.059 561 1HB ARG 665 1HB ARG 665 178.822 -0.940 -10.713 562 2HB ARG 665 2HB ARG 665 178.616 -2.627 -11.162 563 1HG ARG 665 1HG ARG 665 176.259 -0.871 -10.582 564 2HG ARG 665 2HG ARG 665 177.023 -0.902 -12.173 565 1HD ARG 665 1HD ARG 665 176.746 -3.467 -11.990 566 2HD ARG 665 2HD ARG 665 175.579 -3.091 -10.724 567 HE ARG 665 HE ARG 665 174.761 -1.538 -12.772 568 1HH1 ARG 665 1HH1 ARG 665 175.522 -4.937 -12.541 569 2HH1 ARG 665 2HH1 ARG 665 174.404 -5.398 -13.782 570 1HH2 ARG 665 1HH2 ARG 665 173.291 -2.144 -14.402 571 2HH2 ARG 665 2HH2 ARG 665 173.139 -3.813 -14.837 572 H ALA 666 H ALA 666 179.591 -4.169 -9.491 573 HA ALA 666 HA ALA 666 181.339 -3.948 -7.340 574 1HB ALA 666 1HB ALA 666 180.976 -5.877 -9.034 575 2HB ALA 666 2HB ALA 666 182.568 -5.649 -8.307 576 3HB ALA 666 3HB ALA 666 182.258 -5.080 -9.947 577 H GLY 667 H GLY 667 182.899 -2.552 -6.869 578 1HA GLY 667 1HA GLY 667 185.024 -1.572 -7.771 579 2HA GLY 667 2HA GLY 667 184.028 -0.943 -9.077 580 H ASP 668 H ASP 668 181.846 -0.503 -6.981 581 HA ASP 668 HA ASP 668 182.418 2.230 -6.494 582 1HB ASP 668 1HB ASP 668 180.154 0.568 -6.380 583 2HB ASP 668 2HB ASP 668 180.350 1.206 -4.751 584 H GLU 669 H GLU 669 183.061 3.288 -4.661 585 HA GLU 669 HA GLU 669 184.259 1.598 -2.593 586 1HB GLU 669 1HB GLU 669 185.638 3.318 -3.808 587 2HB GLU 669 2HB GLU 669 184.663 4.557 -3.030 588 1HG GLU 669 1HG GLU 669 185.382 3.706 -0.834 589 2HG GLU 669 2HG GLU 669 186.413 2.533 -1.654 590 H VAL 670 H VAL 670 183.053 1.245 -0.848 591 HA VAL 670 HA VAL 670 181.061 3.221 -0.045 592 HB VAL 670 HB VAL 670 181.542 0.379 0.855 593 1HG1 VAL 670 1HG1 VAL 670 180.752 1.220 2.835 594 2HG1 VAL 670 2HG1 VAL 670 179.228 0.871 2.019 595 3HG1 VAL 670 3HG1 VAL 670 179.853 2.521 2.054 596 1HG2 VAL 670 1HG2 VAL 670 179.053 1.506 -0.380 597 2HG2 VAL 670 2HG2 VAL 670 179.583 -0.175 -0.286 598 3HG2 VAL 670 3HG2 VAL 670 180.401 0.948 -1.372 599 H LEU 671 H LEU 671 181.890 4.814 1.159 600 HA LEU 671 HA LEU 671 184.039 4.303 3.035 601 1HB LEU 671 1HB LEU 671 182.534 6.882 2.631 602 2HB LEU 671 2HB LEU 671 184.109 6.672 3.371 603 HG LEU 671 HG LEU 671 184.663 7.521 1.298 604 1HD1 LEU 671 1HD1 LEU 671 184.635 4.532 0.921 605 2HD1 LEU 671 2HD1 LEU 671 185.929 5.501 1.627 606 3HD1 LEU 671 3HD1 LEU 671 185.534 5.669 -0.084 607 1HD2 LEU 671 1HD2 LEU 671 183.328 7.550 -0.494 608 2HD2 LEU 671 2HD2 LEU 671 182.109 6.871 0.583 609 3HD2 LEU 671 3HD2 LEU 671 183.065 5.808 -0.448 610 H GLU 672 H GLU 672 180.817 3.782 3.192 611 HA GLU 672 HA GLU 672 180.823 4.012 6.098 612 1HB GLU 672 1HB GLU 672 178.802 5.300 4.278 613 2HB GLU 672 2HB GLU 672 178.462 4.956 5.968 614 1HG GLU 672 1HG GLU 672 180.882 6.286 6.041 615 2HG GLU 672 2HG GLU 672 179.978 7.118 4.778 616 H TRP 673 H TRP 673 180.012 2.239 7.015 617 HA TRP 673 HA TRP 673 178.075 0.615 5.507 618 1HB TRP 673 1HB TRP 673 180.443 -0.325 5.459 619 2HB TRP 673 2HB TRP 673 180.274 -0.587 7.191 620 HD1 TRP 673 HD1 TRP 673 178.367 -2.396 7.958 621 HE1 TRP 673 HE1 TRP 673 177.461 -4.468 6.726 622 HE3 TRP 673 HE3 TRP 673 179.899 -1.254 3.219 623 HZ2 TRP 673 HZ2 TRP 673 177.414 -5.485 4.089 624 HZ3 TRP 673 HZ3 TRP 673 179.382 -2.827 1.404 625 HH2 TRP 673 HH2 TRP 673 178.171 -4.904 1.831 626 H ASN 674 H ASN 674 176.248 0.558 6.639 627 HA ASN 674 HA ASN 674 174.778 0.334 8.361 628 1HB ASN 674 1HB ASN 674 176.393 -1.558 8.976 629 2HB ASN 674 2HB ASN 674 177.077 -0.440 10.151 630 1HD2 ASN 674 1HD2 ASN 674 173.777 -1.224 9.106 631 2HD2 ASN 674 2HD2 ASN 674 173.170 -1.546 10.691 632 H GLY 675 H GLY 675 175.906 2.847 7.814 633 1HA GLY 675 1HA GLY 675 175.823 4.965 8.698 634 2HA GLY 675 2HA GLY 675 175.147 4.259 10.156 635 H LYS 676 H LYS 676 178.191 2.993 9.163 636 HA LYS 676 HA LYS 676 179.499 4.594 11.266 637 1HB LYS 676 1HB LYS 676 180.148 2.660 12.177 638 2HB LYS 676 2HB LYS 676 179.323 1.774 10.907 639 1HG LYS 676 1HG LYS 676 181.284 1.005 10.221 640 2HG LYS 676 2HG LYS 676 181.777 2.645 9.789 641 1HD LYS 676 1HD LYS 676 183.386 1.586 11.301 642 2HD LYS 676 2HD LYS 676 182.625 2.985 12.056 643 1HE LYS 676 1HE LYS 676 181.478 1.720 13.570 644 2HE LYS 676 2HE LYS 676 181.368 0.332 12.487 645 1HZ LYS 676 1HZ LYS 676 182.919 -0.477 13.885 646 2HZ LYS 676 2HZ LYS 676 183.454 1.049 14.380 647 3HZ LYS 676 3HZ LYS 676 183.986 0.404 12.910 648 HA PRO 677 HA PRO 677 182.265 5.931 8.087 649 1HB PRO 677 1HB PRO 677 184.258 6.955 9.556 650 2HB PRO 677 2HB PRO 677 182.658 7.707 9.538 651 1HG PRO 677 1HG PRO 677 183.893 5.933 11.601 652 2HG PRO 677 2HG PRO 677 182.883 7.372 11.821 653 1HD PRO 677 1HD PRO 677 181.972 4.765 11.981 654 2HD PRO 677 2HD PRO 677 180.949 6.175 11.648 655 H LEU 678 H LEU 678 183.332 4.514 6.907 656 HA LEU 678 HA LEU 678 185.002 2.479 8.104 657 1HB LEU 678 1HB LEU 678 184.303 2.935 5.209 658 2HB LEU 678 2HB LEU 678 185.106 1.522 5.868 659 HG LEU 678 HG LEU 678 182.300 2.376 6.579 660 1HD1 LEU 678 1HD1 LEU 678 181.589 1.399 4.724 661 2HD1 LEU 678 2HD1 LEU 678 182.403 -0.096 5.181 662 3HD1 LEU 678 3HD1 LEU 678 183.258 1.119 4.231 663 1HD2 LEU 678 1HD2 LEU 678 182.602 -0.303 7.139 664 2HD2 LEU 678 2HD2 LEU 678 182.632 1.012 8.315 665 3HD2 LEU 678 3HD2 LEU 678 184.144 0.388 7.647 666 HA PRO 679 HA PRO 679 188.046 5.112 5.132 667 1HB PRO 679 1HB PRO 679 187.993 7.652 6.381 668 2HB PRO 679 2HB PRO 679 187.503 7.263 4.733 669 1HG PRO 679 1HG PRO 679 185.850 7.629 7.161 670 2HG PRO 679 2HG PRO 679 185.440 7.917 5.462 671 1HD PRO 679 1HD PRO 679 184.477 5.825 6.829 672 2HD PRO 679 2HD PRO 679 184.853 5.711 5.100 673 H GLY 680 H GLY 680 189.806 4.245 5.979 674 1HA GLY 680 1HA GLY 680 191.736 4.597 7.386 675 2HA GLY 680 2HA GLY 680 190.652 5.144 8.656 676 H ALA 681 H ALA 681 188.968 2.660 7.589 677 HA ALA 681 HA ALA 681 190.112 0.852 9.569 678 1HB ALA 681 1HB ALA 681 187.927 0.725 10.039 679 2HB ALA 681 2HB ALA 681 187.847 -0.379 8.666 680 3HB ALA 681 3HB ALA 681 187.451 1.325 8.452 681 H THR 682 H THR 682 190.965 -1.113 9.124 682 HA THR 682 HA THR 682 191.542 -1.687 6.327 683 HB THR 682 HB THR 682 193.459 -1.789 7.719 684 HG1 THR 682 HG1 THR 682 192.850 -4.521 7.634 685 1HG2 THR 682 1HG2 THR 682 193.174 -2.083 9.895 686 2HG2 THR 682 2HG2 THR 682 193.198 -3.811 9.542 687 3HG2 THR 682 3HG2 THR 682 191.659 -2.957 9.669 688 H ASN 683 H ASN 683 191.746 -4.268 6.032 689 HA ASN 683 HA ASN 683 189.229 -5.240 5.575 690 1HB ASN 683 1HB ASN 683 190.289 -7.504 5.482 691 2HB ASN 683 2HB ASN 683 191.144 -6.275 4.556 692 1HD2 ASN 683 1HD2 ASN 683 191.319 -8.550 7.077 693 2HD2 ASN 683 2HD2 ASN 683 192.948 -8.238 7.562 694 H GLU 684 H GLU 684 191.234 -5.844 8.453 695 HA GLU 684 HA GLU 684 189.371 -7.568 9.701 696 1HB GLU 684 1HB GLU 684 190.709 -7.277 11.717 697 2HB GLU 684 2HB GLU 684 191.748 -7.519 10.320 698 1HG GLU 684 1HG GLU 684 191.547 -4.803 10.410 699 2HG GLU 684 2HG GLU 684 191.511 -5.234 12.119 700 H GLU 685 H GLU 685 189.829 -4.082 9.778 701 HA GLU 685 HA GLU 685 188.101 -3.529 11.935 702 1HB GLU 685 1HB GLU 685 189.256 -1.983 9.676 703 2HB GLU 685 2HB GLU 685 187.811 -1.317 10.425 704 1HG GLU 685 1HG GLU 685 189.892 -0.423 11.378 705 2HG GLU 685 2HG GLU 685 188.887 -1.245 12.569 706 H VAL 686 H VAL 686 187.505 -3.207 8.443 707 HA VAL 686 HA VAL 686 184.810 -2.765 8.429 708 HB VAL 686 HB VAL 686 186.375 -4.478 6.497 709 1HG1 VAL 686 1HG1 VAL 686 184.520 -3.656 4.910 710 2HG1 VAL 686 2HG1 VAL 686 183.600 -3.355 6.385 711 3HG1 VAL 686 3HG1 VAL 686 184.160 -4.986 6.011 712 1HG2 VAL 686 1HG2 VAL 686 185.920 -2.092 5.264 713 2HG2 VAL 686 2HG2 VAL 686 187.406 -2.522 6.111 714 3HG2 VAL 686 3HG2 VAL 686 186.159 -1.588 6.938 715 H TYR 687 H TYR 687 186.459 -5.899 8.587 716 HA TYR 687 HA TYR 687 184.368 -7.654 8.404 717 1HB TYR 687 1HB TYR 687 186.888 -7.696 10.022 718 2HB TYR 687 2HB TYR 687 185.706 -8.980 10.238 719 HD1 TYR 687 HD1 TYR 687 186.031 -7.487 6.938 720 HD2 TYR 687 HD2 TYR 687 187.407 -10.601 9.486 721 HE1 TYR 687 HE1 TYR 687 186.966 -8.661 4.988 722 HE2 TYR 687 HE2 TYR 687 188.345 -11.784 7.545 723 HH TYR 687 HH TYR 687 189.155 -11.173 5.231 724 H ASN 688 H ASN 688 185.392 -5.848 11.260 725 HA ASN 688 HA ASN 688 183.470 -6.957 13.023 726 1HB ASN 688 1HB ASN 688 185.094 -4.413 13.114 727 2HB ASN 688 2HB ASN 688 183.994 -4.883 14.407 728 1HD2 ASN 688 1HD2 ASN 688 187.113 -4.927 13.475 729 2HD2 ASN 688 2HD2 ASN 688 187.680 -6.285 14.379 730 H ILE 689 H ILE 689 183.539 -3.978 11.095 731 HA ILE 689 HA ILE 689 181.082 -2.933 11.981 732 HB ILE 689 HB ILE 689 182.555 -2.525 9.375 733 1HG1 ILE 689 1HG1 ILE 689 182.798 -0.199 10.627 734 2HG1 ILE 689 2HG1 ILE 689 182.554 -1.204 12.051 735 1HG2 ILE 689 1HG2 ILE 689 181.146 -0.557 9.029 736 2HG2 ILE 689 2HG2 ILE 689 180.208 -0.973 10.464 737 3HG2 ILE 689 3HG2 ILE 689 180.184 -2.035 9.057 738 1HD1 ILE 689 1HD1 ILE 689 184.513 -2.309 10.219 739 2HD1 ILE 689 2HD1 ILE 689 184.621 -2.007 11.953 740 3HD1 ILE 689 3HD1 ILE 689 184.944 -0.704 10.808 741 H ILE 690 H ILE 690 181.861 -4.862 9.087 742 HA ILE 690 HA ILE 690 179.281 -5.007 8.029 743 HB ILE 690 HB ILE 690 181.267 -7.264 7.864 744 1HG1 ILE 690 1HG1 ILE 690 182.026 -4.733 7.321 745 2HG1 ILE 690 2HG1 ILE 690 182.633 -6.127 6.443 746 1HG2 ILE 690 1HG2 ILE 690 179.224 -7.880 6.887 747 2HG2 ILE 690 2HG2 ILE 690 180.258 -7.411 5.539 748 3HG2 ILE 690 3HG2 ILE 690 179.016 -6.304 6.123 749 1HD1 ILE 690 1HD1 ILE 690 182.050 -4.406 4.897 750 2HD1 ILE 690 2HD1 ILE 690 180.440 -4.262 5.596 751 3HD1 ILE 690 3HD1 ILE 690 180.895 -5.727 4.727 752 H LEU 691 H LEU 691 180.960 -7.614 9.775 753 HA LEU 691 HA LEU 691 178.880 -9.327 10.193 754 1HB LEU 691 1HB LEU 691 181.309 -8.666 11.788 755 2HB LEU 691 2HB LEU 691 180.118 -9.747 12.485 756 HG LEU 691 HG LEU 691 180.539 -11.428 10.954 757 1HD1 LEU 691 1HD1 LEU 691 181.842 -9.416 9.125 758 2HD1 LEU 691 2HD1 LEU 691 180.213 -10.065 8.940 759 3HD1 LEU 691 3HD1 LEU 691 181.609 -11.133 8.794 760 1HD2 LEU 691 1HD2 LEU 691 182.972 -11.670 10.795 761 2HD2 LEU 691 2HD2 LEU 691 182.475 -11.100 12.388 762 3HD2 LEU 691 3HD2 LEU 691 183.163 -9.969 11.223 763 H GLU 692 H GLU 692 179.798 -6.658 12.335 764 HA GLU 692 HA GLU 692 177.792 -7.007 14.251 765 1HB GLU 692 1HB GLU 692 179.445 -4.672 13.368 766 2HB GLU 692 2HB GLU 692 178.117 -4.408 14.490 767 1HG GLU 692 1HG GLU 692 179.858 -6.631 15.231 768 2HG GLU 692 2HG GLU 692 180.671 -5.067 15.179 769 H SER 693 H SER 693 177.727 -5.541 11.092 770 HA SER 693 HA SER 693 175.081 -4.409 11.504 771 1HB SER 693 1HB SER 693 176.761 -3.160 10.186 772 2HB SER 693 2HB SER 693 176.795 -4.472 9.008 773 HG SER 693 HG SER 693 174.492 -4.068 8.746 774 H LYS 694 H LYS 694 176.434 -7.353 10.481 775 HA LYS 694 HA LYS 694 174.486 -8.129 8.565 776 1HB LYS 694 1HB LYS 694 176.471 -9.645 10.241 777 2HB LYS 694 2HB LYS 694 175.324 -10.481 9.205 778 1HG LYS 694 1HG LYS 694 176.450 -8.540 7.569 779 2HG LYS 694 2HG LYS 694 177.796 -9.155 8.530 780 1HD LYS 694 1HD LYS 694 175.850 -10.961 7.112 781 2HD LYS 694 2HD LYS 694 177.319 -10.356 6.344 782 1HE LYS 694 1HE LYS 694 178.552 -11.899 7.365 783 2HE LYS 694 2HE LYS 694 177.930 -11.417 8.943 784 1HZ LYS 694 1HZ LYS 694 176.085 -12.972 7.355 785 2HZ LYS 694 2HZ LYS 694 176.507 -13.125 8.985 786 3HZ LYS 694 3HZ LYS 694 177.492 -13.804 7.791 787 H SER 695 H SER 695 174.555 -8.075 12.026 788 HA SER 695 HA SER 695 172.418 -9.962 12.388 789 1HB SER 695 1HB SER 695 172.991 -8.019 14.547 790 2HB SER 695 2HB SER 695 172.851 -9.776 14.615 791 HG SER 695 HG SER 695 175.063 -8.274 14.490 792 H GLU 696 H GLU 696 172.690 -6.530 11.890 793 HA GLU 696 HA GLU 696 170.107 -5.836 12.866 794 1HB GLU 696 1HB GLU 696 172.329 -4.492 11.519 795 2HB GLU 696 2HB GLU 696 170.755 -3.886 11.023 796 1HG GLU 696 1HG GLU 696 170.233 -3.678 13.504 797 2HG GLU 696 2HG GLU 696 171.961 -3.917 13.767 798 HA PRO 697 HA PRO 697 167.652 -7.151 9.429 799 1HB PRO 697 1HB PRO 697 165.451 -5.644 9.809 800 2HB PRO 697 2HB PRO 697 165.873 -6.982 10.885 801 1HG PRO 697 1HG PRO 697 166.308 -4.043 11.255 802 2HG PRO 697 2HG PRO 697 165.735 -5.245 12.426 803 1HD PRO 697 1HD PRO 697 168.307 -4.350 12.346 804 2HD PRO 697 2HD PRO 697 167.861 -5.975 12.905 805 H GLN 698 H GLN 698 168.951 -4.038 9.688 806 HA GLN 698 HA GLN 698 168.469 -3.563 6.856 807 1HB GLN 698 1HB GLN 698 166.695 -2.388 8.344 808 2HB GLN 698 2HB GLN 698 168.004 -1.299 8.779 809 1HG GLN 698 1HG GLN 698 167.987 -1.539 5.959 810 2HG GLN 698 2HG GLN 698 166.331 -1.254 6.488 811 1HE2 GLN 698 1HE2 GLN 698 165.805 0.798 6.508 812 2HE2 GLN 698 2HE2 GLN 698 166.854 2.125 6.860 813 H VAL 699 H VAL 699 169.905 -1.929 5.954 814 HA VAL 699 HA VAL 699 172.191 -1.212 7.638 815 HB VAL 699 HB VAL 699 172.404 -2.701 5.018 816 1HG1 VAL 699 1HG1 VAL 699 174.584 -1.432 6.674 817 2HG1 VAL 699 2HG1 VAL 699 174.070 -0.938 5.060 818 3HG1 VAL 699 3HG1 VAL 699 174.844 -2.506 5.299 819 1HG2 VAL 699 1HG2 VAL 699 173.954 -4.049 6.751 820 2HG2 VAL 699 2HG2 VAL 699 172.249 -4.413 6.483 821 3HG2 VAL 699 3HG2 VAL 699 172.733 -3.424 7.860 822 H GLU 700 H GLU 700 173.465 0.499 6.840 823 HA GLU 700 HA GLU 700 172.311 2.022 4.604 824 1HB GLU 700 1HB GLU 700 171.573 3.053 6.701 825 2HB GLU 700 2HB GLU 700 173.237 3.136 7.262 826 1HG GLU 700 1HG GLU 700 173.778 4.855 5.829 827 2HG GLU 700 2HG GLU 700 172.470 4.473 4.710 828 H ILE 701 H ILE 701 173.845 1.899 3.073 829 HA ILE 701 HA ILE 701 176.640 2.314 3.901 830 HB ILE 701 HB ILE 701 177.034 1.211 1.527 831 1HG1 ILE 701 1HG1 ILE 701 174.366 0.096 2.419 832 2HG1 ILE 701 2HG1 ILE 701 174.708 0.943 0.916 833 1HG2 ILE 701 1HG2 ILE 701 176.434 -0.257 4.086 834 2HG2 ILE 701 2HG2 ILE 701 177.992 0.366 3.542 835 3HG2 ILE 701 3HG2 ILE 701 177.236 -0.981 2.692 836 1HD1 ILE 701 1HD1 ILE 701 174.474 -1.560 0.769 837 2HD1 ILE 701 2HD1 ILE 701 176.010 -1.661 1.634 838 3HD1 ILE 701 3HD1 ILE 701 175.936 -0.871 0.057 839 H ILE 702 H ILE 702 177.833 3.839 2.942 840 HA ILE 702 HA ILE 702 176.533 5.458 0.850 841 HB ILE 702 HB ILE 702 178.636 6.497 2.733 842 1HG1 ILE 702 1HG1 ILE 702 176.867 5.759 4.186 843 2HG1 ILE 702 2HG1 ILE 702 176.743 7.509 4.036 844 1HG2 ILE 702 1HG2 ILE 702 177.815 7.599 0.492 845 2HG2 ILE 702 2HG2 ILE 702 178.141 8.575 1.923 846 3HG2 ILE 702 3HG2 ILE 702 176.482 8.141 1.510 847 1HD1 ILE 702 1HD1 ILE 702 174.600 6.106 3.932 848 2HD1 ILE 702 2HD1 ILE 702 175.113 5.699 2.294 849 3HD1 ILE 702 3HD1 ILE 702 174.824 7.382 2.736 850 H VAL 703 H VAL 703 177.778 6.165 -0.889 851 HA VAL 703 HA VAL 703 180.504 5.065 -1.054 852 HB VAL 703 HB VAL 703 180.048 4.640 -3.502 853 1HG1 VAL 703 1HG1 VAL 703 180.192 2.867 -1.803 854 2HG1 VAL 703 2HG1 VAL 703 179.074 2.465 -3.106 855 3HG1 VAL 703 3HG1 VAL 703 178.452 2.997 -1.543 856 1HG2 VAL 703 1HG2 VAL 703 178.007 4.876 -4.422 857 2HG2 VAL 703 2HG2 VAL 703 177.739 5.994 -3.084 858 3HG2 VAL 703 3HG2 VAL 703 177.175 4.326 -2.968 859 H SER 704 H SER 704 181.509 5.938 -3.245 860 HA SER 704 HA SER 704 180.825 8.746 -3.669 861 1HB SER 704 1HB SER 704 183.226 9.405 -3.393 862 2HB SER 704 2HB SER 704 182.458 8.890 -1.893 863 HG SER 704 HG SER 704 184.313 7.495 -3.499 864 H ARG 705 H ARG 705 180.399 8.632 -5.792 865 HA ARG 705 HA ARG 705 182.388 7.328 -7.530 866 1HB ARG 705 1HB ARG 705 179.581 7.028 -7.402 867 2HB ARG 705 2HB ARG 705 179.920 7.892 -8.896 868 1HG ARG 705 1HG ARG 705 181.386 6.143 -9.640 869 2HG ARG 705 2HG ARG 705 181.243 5.310 -8.091 870 1HD ARG 705 1HD ARG 705 178.710 5.289 -8.609 871 2HD ARG 705 2HD ARG 705 179.207 5.621 -10.267 872 HE ARG 705 HE ARG 705 180.719 3.487 -9.593 873 1HH1 ARG 705 1HH1 ARG 705 177.294 4.126 -9.403 874 2HH1 ARG 705 2HH1 ARG 705 176.846 2.467 -9.612 875 1HH2 ARG 705 1HH2 ARG 705 180.131 1.303 -9.868 876 2HH2 ARG 705 2HH2 ARG 705 178.456 0.864 -9.875 877 H GLU 943 H GLU 943 191.342 -10.838 -5.249 878 HA GLU 943 HA GLU 943 190.403 -11.907 -3.238 879 1HB GLU 943 1HB GLU 943 191.432 -10.209 -1.786 880 2HB GLU 943 2HB GLU 943 192.387 -10.477 -3.239 881 1HG GLU 943 1HG GLU 943 191.309 -8.454 -4.225 882 2HG GLU 943 2HG GLU 943 190.569 -8.156 -2.653 883 H GLU 944 H GLU 944 188.785 -12.000 -1.797 884 HA GLU 944 HA GLU 944 186.684 -9.951 -1.983 885 1HB GLU 944 1HB GLU 944 185.152 -11.640 -1.130 886 2HB GLU 944 2HB GLU 944 185.996 -12.247 -2.548 887 1HG GLU 944 1HG GLU 944 187.638 -13.189 -0.687 888 2HG GLU 944 2HG GLU 944 186.165 -13.107 0.277 889 H GLY 945 H GLY 945 185.415 -9.657 0.103 890 1HA GLY 945 1HA GLY 945 187.230 -9.741 2.429 891 2HA GLY 945 2HA GLY 945 186.341 -8.282 2.020 892 H ILE 946 H ILE 946 183.897 -8.628 1.833 893 HA ILE 946 HA ILE 946 182.979 -10.573 3.835 894 HB ILE 946 HB ILE 946 181.314 -8.242 3.950 895 1HG1 ILE 946 1HG1 ILE 946 183.604 -7.225 3.209 896 2HG1 ILE 946 2HG1 ILE 946 182.732 -6.499 4.546 897 1HG2 ILE 946 1HG2 ILE 946 183.166 -9.467 5.995 898 2HG2 ILE 946 2HG2 ILE 946 181.511 -9.980 5.663 899 3HG2 ILE 946 3HG2 ILE 946 181.822 -8.378 6.329 900 1HD1 ILE 946 1HD1 ILE 946 184.188 -7.391 6.137 901 2HD1 ILE 946 2HD1 ILE 946 185.226 -6.827 4.825 902 3HD1 ILE 946 3HD1 ILE 946 184.864 -8.547 4.987 903 H TRP 947 H TRP 947 180.779 -11.192 3.655 904 HA TRP 947 HA TRP 947 179.786 -10.995 0.912 905 1HB TRP 947 1HB TRP 947 179.747 -13.053 2.948 906 2HB TRP 947 2HB TRP 947 178.128 -12.743 2.329 907 HD1 TRP 947 HD1 TRP 947 180.622 -15.128 1.730 908 HE1 TRP 947 HE1 TRP 947 180.721 -15.927 -0.716 909 HE3 TRP 947 HE3 TRP 947 177.980 -11.345 -0.473 910 HZ2 TRP 947 HZ2 TRP 947 179.801 -15.064 -3.244 911 HZ3 TRP 947 HZ3 TRP 947 177.633 -11.406 -2.908 912 HH2 TRP 947 HH2 TRP 947 178.528 -13.230 -4.263 913 H ALA 948 H ALA 948 178.209 -9.651 0.421 914 HA ALA 948 HA ALA 948 176.137 -9.074 2.393 915 1HB ALA 948 1HB ALA 948 176.324 -6.607 1.692 916 2HB ALA 948 2HB ALA 948 177.949 -7.032 1.150 917 3HB ALA 948 3HB ALA 948 177.503 -7.236 2.845 Start of MODEL 12 1 H HIS 597 H HIS 597 161.884 2.593 1.033 2 HA HIS 597 HA HIS 597 162.966 4.384 1.948 3 1HB HIS 597 1HB HIS 597 164.818 2.256 2.911 4 2HB HIS 597 2HB HIS 597 165.480 3.865 2.648 5 HD1 HIS 597 HD1 HIS 597 165.765 3.414 5.396 6 HD2 HIS 597 HD2 HIS 597 161.997 4.361 3.923 7 HE1 HIS 597 HE1 HIS 597 164.454 4.231 7.380 8 HE2 HIS 597 HE2 HIS 597 162.206 4.882 6.447 9 HA PRO 598 HA PRO 598 164.600 4.354 -2.285 10 1HB PRO 598 1HB PRO 598 164.327 7.027 -2.687 11 2HB PRO 598 2HB PRO 598 162.982 5.890 -2.837 12 1HG PRO 598 1HG PRO 598 163.712 7.665 -0.539 13 2HG PRO 598 2HG PRO 598 162.115 7.345 -1.242 14 1HD PRO 598 1HD PRO 598 162.963 6.139 1.019 15 2HD PRO 598 2HD PRO 598 161.898 5.326 -0.145 16 H VAL 599 H VAL 599 166.330 5.667 -3.375 17 HA VAL 599 HA VAL 599 168.366 6.510 -1.420 18 HB VAL 599 HB VAL 599 168.603 4.753 -3.822 19 1HG1 VAL 599 1HG1 VAL 599 170.125 6.463 -4.471 20 2HG1 VAL 599 2HG1 VAL 599 171.088 5.153 -3.790 21 3HG1 VAL 599 3HG1 VAL 599 170.769 6.600 -2.835 22 1HG2 VAL 599 1HG2 VAL 599 168.655 3.528 -1.868 23 2HG2 VAL 599 2HG2 VAL 599 169.539 4.777 -0.989 24 3HG2 VAL 599 3HG2 VAL 599 170.373 3.781 -2.183 25 H THR 600 H THR 600 169.762 8.192 -2.012 26 HA THR 600 HA THR 600 169.055 9.716 -4.412 27 HB THR 600 HB THR 600 169.326 11.799 -2.849 28 HG1 THR 600 HG1 THR 600 168.445 9.823 -1.017 29 1HG2 THR 600 1HG2 THR 600 166.849 10.102 -2.836 30 2HG2 THR 600 2HG2 THR 600 167.264 11.372 -3.989 31 3HG2 THR 600 3HG2 THR 600 166.925 11.783 -2.306 32 H TRP 601 H TRP 601 170.653 11.285 -5.044 33 HA TRP 601 HA TRP 601 173.315 10.832 -3.875 34 1HB TRP 601 1HB TRP 601 172.689 10.974 -6.832 35 2HB TRP 601 2HB TRP 601 174.295 10.824 -6.128 36 HD1 TRP 601 HD1 TRP 601 171.074 8.806 -6.678 37 HE1 TRP 601 HE1 TRP 601 171.635 6.304 -6.462 38 HE3 TRP 601 HE3 TRP 601 175.927 9.194 -5.107 39 HZ2 TRP 601 HZ2 TRP 601 173.841 4.706 -5.726 40 HZ3 TRP 601 HZ3 TRP 601 177.191 7.128 -4.671 41 HH2 TRP 601 HH2 TRP 601 176.167 4.932 -4.974 42 H GLN 602 H GLN 602 174.399 12.637 -3.420 43 HA GLN 602 HA GLN 602 173.631 15.125 -4.786 44 1HB GLN 602 1HB GLN 602 174.094 16.257 -2.527 45 2HB GLN 602 2HB GLN 602 172.571 15.397 -2.715 46 1HG GLN 602 1HG GLN 602 174.864 13.884 -1.610 47 2HG GLN 602 2HG GLN 602 174.124 15.112 -0.584 48 1HE2 GLN 602 1HE2 GLN 602 174.179 12.144 -0.439 49 2HE2 GLN 602 2HE2 GLN 602 172.523 11.670 -0.320 50 HA PRO 603 HA PRO 603 177.961 15.563 -5.574 51 1HB PRO 603 1HB PRO 603 177.535 18.480 -5.306 52 2HB PRO 603 2HB PRO 603 178.144 17.554 -6.680 53 1HG PRO 603 1HG PRO 603 175.692 18.614 -6.708 54 2HG PRO 603 2HG PRO 603 176.021 17.032 -7.440 55 1HD PRO 603 1HD PRO 603 174.746 17.676 -4.810 56 2HD PRO 603 2HD PRO 603 174.315 16.427 -5.996 57 H SER 604 H SER 604 179.904 16.192 -4.580 58 HA SER 604 HA SER 604 179.872 16.162 -1.755 59 1HB SER 604 1HB SER 604 182.320 16.501 -1.935 60 2HB SER 604 2HB SER 604 181.747 15.231 -3.016 61 HG SER 604 HG SER 604 183.230 17.117 -3.762 62 H LYS 605 H LYS 605 181.472 17.886 -0.648 63 HA LYS 605 HA LYS 605 179.999 20.290 -0.548 64 1HB LYS 605 1HB LYS 605 181.787 21.086 0.963 65 2HB LYS 605 2HB LYS 605 181.192 19.490 1.401 66 1HG LYS 605 1HG LYS 605 183.170 18.566 0.101 67 2HG LYS 605 2HG LYS 605 183.796 20.216 0.101 68 1HD LYS 605 1HD LYS 605 183.308 20.048 2.681 69 2HD LYS 605 2HD LYS 605 183.431 18.316 2.370 70 1HE LYS 605 1HE LYS 605 185.595 19.535 1.038 71 2HE LYS 605 2HE LYS 605 185.517 20.261 2.643 72 1HZ LYS 605 1HZ LYS 605 186.906 18.276 2.608 73 2HZ LYS 605 2HZ LYS 605 185.595 17.345 2.081 74 3HZ LYS 605 3HZ LYS 605 185.563 18.059 3.614 75 H GLU 606 H GLU 606 183.236 19.590 -1.820 76 HA GLU 606 HA GLU 606 183.774 22.182 -2.749 77 1HB GLU 606 1HB GLU 606 184.840 19.567 -3.827 78 2HB GLU 606 2HB GLU 606 185.554 21.155 -4.070 79 1HG GLU 606 1HG GLU 606 185.624 21.207 -1.464 80 2HG GLU 606 2HG GLU 606 185.495 19.456 -1.624 81 H GLY 607 H GLY 607 181.913 19.576 -4.126 82 1HA GLY 607 1HA GLY 607 180.316 19.843 -5.825 83 2HA GLY 607 2HA GLY 607 181.073 21.366 -6.269 84 H ASP 608 H ASP 608 182.813 18.357 -5.836 85 HA ASP 608 HA ASP 608 183.226 18.218 -8.748 86 1HB ASP 608 1HB ASP 608 185.162 18.823 -6.791 87 2HB ASP 608 2HB ASP 608 185.496 17.175 -7.311 88 H ARG 609 H ARG 609 182.678 16.543 -5.762 89 HA ARG 609 HA ARG 609 182.773 13.966 -7.181 90 1HB ARG 609 1HB ARG 609 184.001 14.660 -4.826 91 2HB ARG 609 2HB ARG 609 182.534 13.878 -4.258 92 1HG ARG 609 1HG ARG 609 184.166 12.192 -4.379 93 2HG ARG 609 2HG ARG 609 183.120 11.951 -5.780 94 1HD ARG 609 1HD ARG 609 185.441 13.715 -6.207 95 2HD ARG 609 2HD ARG 609 185.820 12.022 -5.894 96 HE ARG 609 HE ARG 609 183.781 12.222 -7.840 97 1HH1 ARG 609 1HH1 ARG 609 187.213 12.702 -7.426 98 2HH1 ARG 609 2HH1 ARG 609 187.583 12.394 -9.089 99 1HH2 ARG 609 1HH2 ARG 609 184.266 11.816 -10.028 100 2HH2 ARG 609 2HH2 ARG 609 185.911 11.892 -10.566 101 H LEU 610 H LEU 610 181.160 12.336 -6.328 102 HA LEU 610 HA LEU 610 178.594 13.639 -5.697 103 1HB LEU 610 1HB LEU 610 179.249 12.393 -8.100 104 2HB LEU 610 2HB LEU 610 178.304 11.193 -7.239 105 HG LEU 610 HG LEU 610 176.922 12.585 -8.722 106 1HD1 LEU 610 1HD1 LEU 610 175.154 12.941 -7.206 107 2HD1 LEU 610 2HD1 LEU 610 176.259 13.218 -5.860 108 3HD1 LEU 610 3HD1 LEU 610 176.090 11.600 -6.543 109 1HD2 LEU 610 1HD2 LEU 610 177.555 14.723 -8.909 110 2HD2 LEU 610 2HD2 LEU 610 178.346 14.727 -7.334 111 3HD2 LEU 610 3HD2 LEU 610 176.606 14.982 -7.447 112 H ILE 611 H ILE 611 177.845 12.952 -3.811 113 HA ILE 611 HA ILE 611 178.495 10.205 -2.956 114 HB ILE 611 HB ILE 611 177.777 12.446 -1.081 115 1HG1 ILE 611 1HG1 ILE 611 179.770 13.173 -2.259 116 2HG1 ILE 611 2HG1 ILE 611 180.215 12.663 -0.634 117 1HG2 ILE 611 1HG2 ILE 611 178.186 10.992 0.587 118 2HG2 ILE 611 2HG2 ILE 611 179.533 10.234 -0.262 119 3HG2 ILE 611 3HG2 ILE 611 177.875 9.782 -0.658 120 1HD1 ILE 611 1HD1 ILE 611 181.306 10.778 -1.385 121 2HD1 ILE 611 2HD1 ILE 611 181.670 11.954 -2.649 122 3HD1 ILE 611 3HD1 ILE 611 180.416 10.742 -2.906 123 H GLY 612 H GLY 612 176.901 8.906 -2.147 124 1HA GLY 612 1HA GLY 612 174.177 10.012 -2.004 125 2HA GLY 612 2HA GLY 612 174.483 8.602 -3.006 126 H ARG 613 H ARG 613 172.631 8.565 -0.935 127 HA ARG 613 HA ARG 613 173.970 6.990 1.159 128 1HB ARG 613 1HB ARG 613 171.220 8.250 1.167 129 2HB ARG 613 2HB ARG 613 171.931 7.345 2.496 130 1HG ARG 613 1HG ARG 613 173.781 9.070 2.503 131 2HG ARG 613 2HG ARG 613 172.765 10.020 1.417 132 1HD ARG 613 1HD ARG 613 171.570 8.978 3.936 133 2HD ARG 613 2HD ARG 613 172.676 10.345 4.036 134 HE ARG 613 HE ARG 613 171.122 11.670 2.950 135 1HH1 ARG 613 1HH1 ARG 613 170.050 8.344 2.977 136 2HH1 ARG 613 2HH1 ARG 613 168.438 8.733 2.486 137 1HH2 ARG 613 1HH2 ARG 613 169.000 12.175 2.303 138 2HH2 ARG 613 2HH2 ARG 613 167.841 10.905 2.102 139 H VAL 614 H VAL 614 173.837 4.835 0.952 140 HA VAL 614 HA VAL 614 171.589 3.754 -0.598 141 HB VAL 614 HB VAL 614 174.277 2.492 -0.060 142 1HG1 VAL 614 1HG1 VAL 614 171.792 1.378 -0.960 143 2HG1 VAL 614 2HG1 VAL 614 173.333 0.574 -0.659 144 3HG1 VAL 614 3HG1 VAL 614 172.998 1.274 -2.242 145 1HG2 VAL 614 1HG2 VAL 614 174.985 3.160 -2.142 146 2HG2 VAL 614 2HG2 VAL 614 174.017 4.551 -1.652 147 3HG2 VAL 614 3HG2 VAL 614 173.343 3.352 -2.757 148 H ILE 615 H ILE 615 170.056 2.769 0.499 149 HA ILE 615 HA ILE 615 170.692 1.629 3.135 150 HB ILE 615 HB ILE 615 167.872 1.983 2.226 151 1HG1 ILE 615 1HG1 ILE 615 168.878 4.132 1.654 152 2HG1 ILE 615 2HG1 ILE 615 167.859 4.305 3.080 153 1HG2 ILE 615 1HG2 ILE 615 169.373 1.732 4.759 154 2HG2 ILE 615 2HG2 ILE 615 167.806 1.069 4.295 155 3HG2 ILE 615 3HG2 ILE 615 167.939 2.758 4.784 156 1HD1 ILE 615 1HD1 ILE 615 169.721 4.470 4.507 157 2HD1 ILE 615 2HD1 ILE 615 170.077 5.500 3.122 158 3HD1 ILE 615 3HD1 ILE 615 170.829 3.910 3.254 159 H LEU 616 H LEU 616 170.861 -0.511 3.238 160 HA LEU 616 HA LEU 616 169.328 -2.125 1.309 161 1HB LEU 616 1HB LEU 616 172.165 -2.074 1.899 162 2HB LEU 616 2HB LEU 616 171.494 -3.675 2.145 163 HG LEU 616 HG LEU 616 171.143 -2.094 -0.399 164 1HD1 LEU 616 1HD1 LEU 616 172.865 -4.440 -0.498 165 2HD1 LEU 616 2HD1 LEU 616 173.520 -3.138 0.493 166 3HD1 LEU 616 3HD1 LEU 616 173.091 -2.835 -1.191 167 1HD2 LEU 616 1HD2 LEU 616 169.855 -4.377 0.610 168 2HD2 LEU 616 2HD2 LEU 616 170.964 -4.938 -0.642 169 3HD2 LEU 616 3HD2 LEU 616 169.759 -3.708 -1.018 170 H ASN 617 H ASN 617 168.487 -4.109 2.032 171 HA ASN 617 HA ASN 617 168.563 -4.547 4.939 172 1HB ASN 617 1HB ASN 617 166.124 -4.413 3.165 173 2HB ASN 617 2HB ASN 617 166.102 -5.157 4.762 174 1HD2 ASN 617 1HD2 ASN 617 165.607 -3.902 6.407 175 2HD2 ASN 617 2HD2 ASN 617 165.665 -2.176 6.420 176 H LYS 618 H LYS 618 168.637 -6.653 5.586 177 HA LYS 618 HA LYS 618 168.859 -8.650 3.451 178 1HB LYS 618 1HB LYS 618 169.677 -9.028 6.325 179 2HB LYS 618 2HB LYS 618 170.203 -9.938 4.916 180 1HG LYS 618 1HG LYS 618 171.678 -8.313 4.244 181 2HG LYS 618 2HG LYS 618 170.809 -7.024 5.080 182 1HD LYS 618 1HD LYS 618 172.526 -7.232 6.546 183 2HD LYS 618 2HD LYS 618 171.510 -8.523 7.190 184 1HE LYS 618 1HE LYS 618 173.240 -9.365 4.991 185 2HE LYS 618 2HE LYS 618 174.120 -8.790 6.405 186 1HZ LYS 618 1HZ LYS 618 173.207 -10.434 7.739 187 2HZ LYS 618 2HZ LYS 618 173.495 -11.250 6.286 188 3HZ LYS 618 3HZ LYS 618 171.927 -10.748 6.676 189 H ARG 619 H ARG 619 167.102 -7.856 6.365 190 HA ARG 619 HA ARG 619 165.798 -10.384 6.624 191 1HB ARG 619 1HB ARG 619 165.308 -7.663 7.816 192 2HB ARG 619 2HB ARG 619 164.225 -9.013 8.123 193 1HG ARG 619 1HG ARG 619 167.175 -8.995 8.730 194 2HG ARG 619 2HG ARG 619 165.890 -8.690 9.902 195 1HD ARG 619 1HD ARG 619 165.484 -10.869 10.157 196 2HD ARG 619 2HD ARG 619 165.452 -11.144 8.416 197 HE ARG 619 HE ARG 619 168.098 -10.811 9.496 198 1HH1 ARG 619 1HH1 ARG 619 165.539 -13.090 8.832 199 2HH1 ARG 619 2HH1 ARG 619 166.601 -14.457 8.782 200 1HH2 ARG 619 1HH2 ARG 619 169.494 -12.608 9.430 201 2HH2 ARG 619 2HH2 ARG 619 168.845 -14.184 9.123 202 H THR 620 H THR 620 165.166 -7.452 4.849 203 HA THR 620 HA THR 620 162.426 -7.753 4.374 204 HB THR 620 HB THR 620 162.840 -6.369 2.341 205 HG1 THR 620 HG1 THR 620 165.559 -6.548 3.120 206 1HG2 THR 620 1HG2 THR 620 164.051 -4.465 3.533 207 2HG2 THR 620 2HG2 THR 620 164.068 -5.532 4.937 208 3HG2 THR 620 3HG2 THR 620 162.532 -5.040 4.221 209 H THR 621 H THR 621 165.107 -9.551 3.195 210 HA THR 621 HA THR 621 165.284 -11.331 1.796 211 HB THR 621 HB THR 621 162.335 -11.640 1.546 212 HG1 THR 621 HG1 THR 621 162.265 -12.456 3.696 213 1HG2 THR 621 1HG2 THR 621 162.791 -13.799 1.307 214 2HG2 THR 621 2HG2 THR 621 163.886 -13.812 2.690 215 3HG2 THR 621 3HG2 THR 621 164.470 -13.297 1.108 216 H MET 622 H MET 622 164.835 -12.083 -0.425 217 HA MET 622 HA MET 622 164.184 -9.787 -2.133 218 1HB MET 622 1HB MET 622 166.094 -12.023 -2.309 219 2HB MET 622 2HB MET 622 165.289 -11.619 -3.819 220 1HG MET 622 1HG MET 622 167.105 -10.265 -3.957 221 2HG MET 622 2HG MET 622 165.971 -9.175 -3.162 222 1HE MET 622 1HE MET 622 169.297 -11.332 -2.689 223 2HE MET 622 2HE MET 622 167.978 -12.239 -1.949 224 3HE MET 622 3HE MET 622 169.241 -11.537 -0.938 225 HA PRO 623 HA PRO 623 160.676 -11.767 -3.912 226 1HB PRO 623 1HB PRO 623 161.347 -10.985 -6.622 227 2HB PRO 623 2HB PRO 623 160.144 -10.286 -5.536 228 1HG PRO 623 1HG PRO 623 162.417 -8.986 -6.307 229 2HG PRO 623 2HG PRO 623 161.580 -8.677 -4.777 230 1HD PRO 623 1HD PRO 623 164.025 -10.322 -5.302 231 2HD PRO 623 2HD PRO 623 163.673 -9.222 -3.951 232 H LYS 624 H LYS 624 163.799 -12.540 -5.224 233 HA LYS 624 HA LYS 624 162.897 -14.647 -6.937 234 1HB LYS 624 1HB LYS 624 165.337 -15.233 -7.040 235 2HB LYS 624 2HB LYS 624 164.947 -13.588 -7.522 236 1HG LYS 624 1HG LYS 624 165.469 -13.454 -4.780 237 2HG LYS 624 2HG LYS 624 166.703 -14.521 -5.447 238 1HD LYS 624 1HD LYS 624 166.031 -11.755 -6.448 239 2HD LYS 624 2HD LYS 624 167.432 -12.184 -5.463 240 1HE LYS 624 1HE LYS 624 167.764 -13.930 -7.458 241 2HE LYS 624 2HE LYS 624 166.900 -12.668 -8.336 242 1HZ LYS 624 1HZ LYS 624 168.585 -11.081 -7.437 243 2HZ LYS 624 2HZ LYS 624 169.202 -12.219 -8.526 244 3HZ LYS 624 3HZ LYS 624 169.462 -12.410 -6.866 245 H GLU 625 H GLU 625 164.289 -14.494 -3.676 246 HA GLU 625 HA GLU 625 162.966 -16.769 -2.757 247 1HB GLU 625 1HB GLU 625 165.119 -18.220 -2.532 248 2HB GLU 625 2HB GLU 625 164.201 -18.252 -4.030 249 1HG GLU 625 1HG GLU 625 166.004 -17.662 -5.158 250 2HG GLU 625 2HG GLU 625 166.112 -16.167 -4.232 251 H SER 626 H SER 626 166.291 -15.499 -2.424 252 HA SER 626 HA SER 626 165.810 -14.181 0.010 253 1HB SER 626 1HB SER 626 167.257 -15.807 1.417 254 2HB SER 626 2HB SER 626 165.562 -16.215 1.148 255 HG SER 626 HG SER 626 167.503 -17.781 0.684 256 H GLY 627 H GLY 627 168.120 -15.847 -2.057 257 1HA GLY 627 1HA GLY 627 170.087 -15.018 -2.954 258 2HA GLY 627 2HA GLY 627 169.847 -13.541 -2.033 259 H ALA 628 H ALA 628 170.844 -13.290 -0.068 260 HA ALA 628 HA ALA 628 172.014 -15.437 1.373 261 1HB ALA 628 1HB ALA 628 174.378 -14.861 1.018 262 2HB ALA 628 2HB ALA 628 173.891 -13.721 -0.237 263 3HB ALA 628 3HB ALA 628 173.598 -15.447 -0.450 264 H LEU 629 H LEU 629 173.009 -12.080 0.737 265 HA LEU 629 HA LEU 629 172.526 -11.514 3.584 266 1HB LEU 629 1HB LEU 629 174.450 -9.816 2.104 267 2HB LEU 629 2HB LEU 629 174.446 -10.308 3.779 268 HG LEU 629 HG LEU 629 176.341 -11.291 2.779 269 1HD1 LEU 629 1HD1 LEU 629 176.110 -13.339 3.610 270 2HD1 LEU 629 2HD1 LEU 629 174.715 -13.710 2.599 271 3HD1 LEU 629 3HD1 LEU 629 174.507 -12.775 4.079 272 1HD2 LEU 629 1HD2 LEU 629 175.410 -13.039 0.805 273 2HD2 LEU 629 2HD2 LEU 629 176.424 -11.616 0.596 274 3HD2 LEU 629 3HD2 LEU 629 174.675 -11.475 0.461 275 H LEU 630 H LEU 630 173.296 -9.270 0.948 276 HA LEU 630 HA LEU 630 170.603 -8.134 1.214 277 1HB LEU 630 1HB LEU 630 172.033 -5.886 0.736 278 2HB LEU 630 2HB LEU 630 171.519 -6.415 2.326 279 HG LEU 630 HG LEU 630 174.142 -7.342 1.293 280 1HD1 LEU 630 1HD1 LEU 630 175.186 -5.314 2.323 281 2HD1 LEU 630 2HD1 LEU 630 173.578 -4.590 2.359 282 3HD1 LEU 630 3HD1 LEU 630 174.318 -5.020 0.818 283 1HD2 LEU 630 1HD2 LEU 630 174.671 -7.011 3.754 284 2HD2 LEU 630 2HD2 LEU 630 173.552 -8.306 3.334 285 3HD2 LEU 630 3HD2 LEU 630 172.937 -6.781 3.973 286 H GLY 631 H GLY 631 173.608 -8.071 -0.780 287 1HA GLY 631 1HA GLY 631 172.509 -8.874 -3.123 288 2HA GLY 631 2HA GLY 631 172.079 -7.179 -3.066 289 H LEU 632 H LEU 632 175.168 -7.751 -1.638 290 HA LEU 632 HA LEU 632 176.615 -7.734 -4.110 291 1HB LEU 632 1HB LEU 632 177.511 -5.544 -4.099 292 2HB LEU 632 2HB LEU 632 175.770 -5.406 -4.008 293 HG LEU 632 HG LEU 632 176.820 -3.738 -2.616 294 1HD1 LEU 632 1HD1 LEU 632 175.944 -5.188 -0.340 295 2HD1 LEU 632 2HD1 LEU 632 174.901 -5.591 -1.702 296 3HD1 LEU 632 3HD1 LEU 632 175.121 -3.909 -1.228 297 1HD2 LEU 632 1HD2 LEU 632 177.903 -5.666 -0.672 298 2HD2 LEU 632 2HD2 LEU 632 178.486 -4.072 -1.147 299 3HD2 LEU 632 3HD2 LEU 632 178.807 -5.469 -2.173 300 H LYS 633 H LYS 633 178.918 -7.784 -3.881 301 HA LYS 633 HA LYS 633 179.736 -8.656 -1.191 302 1HB LYS 633 1HB LYS 633 179.932 -10.251 -3.168 303 2HB LYS 633 2HB LYS 633 181.191 -9.189 -3.782 304 1HG LYS 633 1HG LYS 633 182.716 -10.008 -2.379 305 2HG LYS 633 2HG LYS 633 181.609 -9.957 -1.007 306 1HD LYS 633 1HD LYS 633 180.508 -12.011 -2.169 307 2HD LYS 633 2HD LYS 633 182.056 -12.138 -3.005 308 1HE LYS 633 1HE LYS 633 182.724 -11.751 -0.331 309 2HE LYS 633 2HE LYS 633 181.353 -12.858 -0.293 310 1HZ LYS 633 1HZ LYS 633 183.638 -13.882 -0.478 311 2HZ LYS 633 2HZ LYS 633 183.679 -13.302 -2.066 312 3HZ LYS 633 3HZ LYS 633 182.489 -14.410 -1.602 313 H VAL 634 H VAL 634 181.250 -7.519 -0.101 314 HA VAL 634 HA VAL 634 182.613 -5.364 -1.577 315 HB VAL 634 HB VAL 634 181.305 -5.356 1.107 316 1HG1 VAL 634 1HG1 VAL 634 183.569 -4.680 1.639 317 2HG1 VAL 634 2HG1 VAL 634 182.505 -3.273 1.684 318 3HG1 VAL 634 3HG1 VAL 634 183.569 -3.530 0.301 319 1HG2 VAL 634 1HG2 VAL 634 179.911 -4.017 0.035 320 2HG2 VAL 634 2HG2 VAL 634 180.881 -4.164 -1.431 321 3HG2 VAL 634 3HG2 VAL 634 181.224 -2.881 -0.271 322 H VAL 635 H VAL 635 184.634 -4.667 -0.820 323 HA VAL 635 HA VAL 635 186.133 -6.667 0.728 324 HB VAL 635 HB VAL 635 186.578 -5.709 -1.988 325 1HG1 VAL 635 1HG1 VAL 635 188.228 -4.259 -1.013 326 2HG1 VAL 635 2HG1 VAL 635 189.046 -5.606 -1.805 327 3HG1 VAL 635 3HG1 VAL 635 188.882 -5.583 -0.049 328 1HG2 VAL 635 1HG2 VAL 635 187.948 -7.744 -2.067 329 2HG2 VAL 635 2HG2 VAL 635 186.336 -8.025 -1.404 330 3HG2 VAL 635 3HG2 VAL 635 187.727 -7.930 -0.325 331 H GLY 636 H GLY 636 187.140 -5.848 2.456 332 1HA GLY 636 1HA GLY 636 187.447 -2.921 2.593 333 2HA GLY 636 2HA GLY 636 187.278 -3.982 3.982 334 H GLY 637 H GLY 637 189.300 -2.067 3.759 335 1HA GLY 637 1HA GLY 637 191.536 -2.005 4.353 336 2HA GLY 637 2HA GLY 637 191.598 -3.751 4.164 337 H LYS 638 H LYS 638 190.955 -1.006 1.978 338 HA LYS 638 HA LYS 638 193.047 -2.080 0.202 339 1HB LYS 638 1HB LYS 638 190.412 -0.801 -0.538 340 2HB LYS 638 2HB LYS 638 191.700 -1.128 -1.689 341 1HG LYS 638 1HG LYS 638 191.205 -3.522 -0.266 342 2HG LYS 638 2HG LYS 638 189.647 -2.862 -0.768 343 1HD LYS 638 1HD LYS 638 190.052 -3.236 -2.954 344 2HD LYS 638 2HD LYS 638 191.752 -2.781 -2.820 345 1HE LYS 638 1HE LYS 638 191.327 -5.207 -1.378 346 2HE LYS 638 2HE LYS 638 190.634 -5.375 -2.990 347 1HZ LYS 638 1HZ LYS 638 192.806 -6.005 -3.319 348 2HZ LYS 638 2HZ LYS 638 193.430 -4.883 -2.218 349 3HZ LYS 638 3HZ LYS 638 192.881 -4.366 -3.732 350 H MET 639 H MET 639 194.722 -0.752 0.664 351 HA MET 639 HA MET 639 194.579 1.959 1.330 352 1HB MET 639 1HB MET 639 196.562 0.427 1.615 353 2HB MET 639 2HB MET 639 196.878 0.625 -0.102 354 1HG MET 639 1HG MET 639 198.023 2.462 0.317 355 2HG MET 639 2HG MET 639 196.582 3.208 1.004 356 1HE MET 639 1HE MET 639 195.886 3.299 3.141 357 2HE MET 639 2HE MET 639 196.961 3.418 4.535 358 3HE MET 639 3HE MET 639 196.192 1.880 4.144 359 H THR 640 H THR 640 193.576 3.419 0.099 360 HA THR 640 HA THR 640 193.509 3.272 -2.754 361 HB THR 640 HB THR 640 192.312 5.419 -2.617 362 HG1 THR 640 HG1 THR 640 192.576 6.646 -0.955 363 1HG2 THR 640 1HG2 THR 640 191.489 3.198 -0.811 364 2HG2 THR 640 2HG2 THR 640 190.768 3.748 -2.324 365 3HG2 THR 640 3HG2 THR 640 190.554 4.693 -0.849 366 H ASP 641 H ASP 641 194.001 5.393 -3.997 367 HA ASP 641 HA ASP 641 196.779 5.736 -4.070 368 1HB ASP 641 1HB ASP 641 194.513 7.341 -5.253 369 2HB ASP 641 2HB ASP 641 196.206 7.715 -5.568 370 H LEU 642 H LEU 642 194.379 7.268 -2.145 371 HA LEU 642 HA LEU 642 195.948 9.627 -1.585 372 1HB LEU 642 1HB LEU 642 193.556 8.720 -0.020 373 2HB LEU 642 2HB LEU 642 194.131 10.355 -0.292 374 HG LEU 642 HG LEU 642 193.084 8.658 -2.541 375 1HD1 LEU 642 1HD1 LEU 642 191.121 8.686 -1.456 376 2HD1 LEU 642 2HD1 LEU 642 191.051 10.348 -2.042 377 3HD1 LEU 642 3HD1 LEU 642 191.598 10.013 -0.398 378 1HD2 LEU 642 1HD2 LEU 642 193.032 11.639 -2.293 379 2HD2 LEU 642 2HD2 LEU 642 192.971 10.640 -3.745 380 3HD2 LEU 642 3HD2 LEU 642 194.478 10.793 -2.843 381 H GLY 643 H GLY 643 195.101 6.615 0.025 382 1HA GLY 643 1HA GLY 643 196.951 5.656 1.385 383 2HA GLY 643 2HA GLY 643 197.114 7.255 2.095 384 H ARG 644 H ARG 644 193.897 6.239 1.473 385 HA ARG 644 HA ARG 644 193.559 5.609 4.332 386 1HB ARG 644 1HB ARG 644 191.914 7.221 2.430 387 2HB ARG 644 2HB ARG 644 191.096 6.354 3.724 388 1HG ARG 644 1HG ARG 644 192.456 7.515 5.378 389 2HG ARG 644 2HG ARG 644 193.303 8.371 4.088 390 1HD ARG 644 1HD ARG 644 191.519 9.724 3.624 391 2HD ARG 644 2HD ARG 644 190.337 8.529 4.157 392 HE ARG 644 HE ARG 644 191.588 9.222 6.452 393 1HH1 ARG 644 1HH1 ARG 644 190.062 11.070 3.915 394 2HH1 ARG 644 2HH1 ARG 644 189.582 12.357 4.968 395 1HH2 ARG 644 1HH2 ARG 644 190.957 10.915 7.840 396 2HH2 ARG 644 2HH2 ARG 644 190.091 12.270 7.197 397 H LEU 645 H LEU 645 192.335 3.853 4.911 398 HA LEU 645 HA LEU 645 191.895 1.885 2.824 399 1HB LEU 645 1HB LEU 645 191.735 1.768 5.830 400 2HB LEU 645 2HB LEU 645 191.277 0.421 4.805 401 HG LEU 645 HG LEU 645 194.021 1.654 5.030 402 1HD1 LEU 645 1HD1 LEU 645 194.590 -0.046 6.382 403 2HD1 LEU 645 2HD1 LEU 645 193.589 -1.209 5.512 404 3HD1 LEU 645 3HD1 LEU 645 192.858 -0.130 6.700 405 1HD2 LEU 645 1HD2 LEU 645 194.717 -0.164 3.504 406 2HD2 LEU 645 2HD2 LEU 645 193.650 1.011 2.739 407 3HD2 LEU 645 3HD2 LEU 645 193.017 -0.556 3.242 408 H GLY 646 H GLY 646 189.924 0.889 2.369 409 1HA GLY 646 1HA GLY 646 187.509 1.823 3.672 410 2HA GLY 646 2HA GLY 646 187.697 2.349 2.007 411 H ALA 647 H ALA 647 185.743 1.173 1.568 412 HA ALA 647 HA ALA 647 186.207 -1.726 1.318 413 1HB ALA 647 1HB ALA 647 183.523 -1.598 1.265 414 2HB ALA 647 2HB ALA 647 183.877 -0.230 2.321 415 3HB ALA 647 3HB ALA 647 184.462 -1.841 2.739 416 H PHE 648 H PHE 648 185.683 -2.722 -0.621 417 HA PHE 648 HA PHE 648 184.630 -0.988 -2.755 418 1HB PHE 648 1HB PHE 648 187.133 -2.650 -2.776 419 2HB PHE 648 2HB PHE 648 186.271 -2.317 -4.275 420 HD1 PHE 648 HD1 PHE 648 186.486 -0.252 -5.366 421 HD2 PHE 648 HD2 PHE 648 187.984 -0.726 -1.411 422 HE1 PHE 648 HE1 PHE 648 187.623 1.923 -5.540 423 HE2 PHE 648 HE2 PHE 648 189.124 1.449 -1.578 424 HZ PHE 648 HZ PHE 648 188.944 2.775 -3.644 425 H ILE 649 H ILE 649 183.044 -1.896 -3.941 426 HA ILE 649 HA ILE 649 182.067 -4.475 -3.214 427 HB ILE 649 HB ILE 649 181.209 -2.616 -5.435 428 1HG1 ILE 649 1HG1 ILE 649 179.653 -3.185 -2.938 429 2HG1 ILE 649 2HG1 ILE 649 180.981 -2.029 -2.886 430 1HG2 ILE 649 1HG2 ILE 649 180.590 -4.916 -5.955 431 2HG2 ILE 649 2HG2 ILE 649 179.167 -3.956 -5.553 432 3HG2 ILE 649 3HG2 ILE 649 179.835 -5.081 -4.370 433 1HD1 ILE 649 1HD1 ILE 649 178.430 -1.395 -3.462 434 2HD1 ILE 649 2HD1 ILE 649 179.074 -1.648 -5.084 435 3HD1 ILE 649 3HD1 ILE 649 179.829 -0.471 -4.010 436 H THR 650 H THR 650 182.846 -6.331 -3.917 437 HA THR 650 HA THR 650 184.531 -6.489 -6.238 438 HB THR 650 HB THR 650 184.523 -8.968 -5.665 439 HG1 THR 650 HG1 THR 650 183.085 -9.589 -4.297 440 1HG2 THR 650 1HG2 THR 650 186.103 -7.118 -4.701 441 2HG2 THR 650 2HG2 THR 650 186.116 -8.758 -4.051 442 3HG2 THR 650 3HG2 THR 650 185.248 -7.479 -3.201 443 H LYS 651 H LYS 651 181.195 -7.257 -5.483 444 HA LYS 651 HA LYS 651 180.514 -7.414 -8.239 445 1HB LYS 651 1HB LYS 651 179.848 -9.731 -8.391 446 2HB LYS 651 2HB LYS 651 181.551 -9.643 -7.959 447 1HG LYS 651 1HG LYS 651 180.698 -9.882 -5.528 448 2HG LYS 651 2HG LYS 651 179.219 -10.476 -6.286 449 1HD LYS 651 1HD LYS 651 181.953 -11.589 -6.887 450 2HD LYS 651 2HD LYS 651 180.892 -12.243 -5.637 451 1HE LYS 651 1HE LYS 651 179.500 -13.201 -7.134 452 2HE LYS 651 2HE LYS 651 179.661 -11.876 -8.286 453 1HZ LYS 651 1HZ LYS 651 181.969 -12.796 -8.711 454 2HZ LYS 651 2HZ LYS 651 180.670 -13.702 -9.304 455 3HZ LYS 651 3HZ LYS 651 181.462 -14.187 -7.891 456 H VAL 652 H VAL 652 178.246 -7.724 -8.614 457 HA VAL 652 HA VAL 652 176.565 -7.424 -6.213 458 HB VAL 652 HB VAL 652 175.207 -6.017 -8.187 459 1HG1 VAL 652 1HG1 VAL 652 176.925 -4.992 -5.934 460 2HG1 VAL 652 2HG1 VAL 652 175.220 -5.440 -5.852 461 3HG1 VAL 652 3HG1 VAL 652 175.717 -4.041 -6.803 462 1HG2 VAL 652 1HG2 VAL 652 177.526 -6.057 -9.354 463 2HG2 VAL 652 2HG2 VAL 652 177.952 -4.834 -8.157 464 3HG2 VAL 652 3HG2 VAL 652 176.618 -4.549 -9.276 465 H LYS 653 H LYS 653 174.759 -8.640 -6.176 466 HA LYS 653 HA LYS 653 174.356 -10.556 -8.288 467 1HB LYS 653 1HB LYS 653 173.385 -10.154 -5.533 468 2HB LYS 653 2HB LYS 653 172.224 -10.904 -6.621 469 1HG LYS 653 1HG LYS 653 175.008 -11.960 -6.525 470 2HG LYS 653 2HG LYS 653 173.886 -12.356 -5.222 471 1HD LYS 653 1HD LYS 653 173.247 -14.048 -6.550 472 2HD LYS 653 2HD LYS 653 172.358 -12.811 -7.442 473 1HE LYS 653 1HE LYS 653 173.525 -13.564 -9.206 474 2HE LYS 653 2HE LYS 653 174.827 -12.578 -8.543 475 1HZ LYS 653 1HZ LYS 653 175.394 -14.952 -9.113 476 2HZ LYS 653 2HZ LYS 653 174.450 -15.416 -7.788 477 3HZ LYS 653 3HZ LYS 653 175.816 -14.446 -7.553 478 H LYS 654 H LYS 654 173.424 -9.850 -10.112 479 HA LYS 654 HA LYS 654 171.731 -7.657 -10.384 480 1HB LYS 654 1HB LYS 654 172.981 -9.163 -12.154 481 2HB LYS 654 2HB LYS 654 171.431 -9.991 -12.226 482 1HG LYS 654 1HG LYS 654 170.650 -8.438 -13.592 483 2HG LYS 654 2HG LYS 654 170.942 -7.198 -12.371 484 1HD LYS 654 1HD LYS 654 172.968 -6.595 -13.276 485 2HD LYS 654 2HD LYS 654 173.238 -8.183 -13.998 486 1HE LYS 654 1HE LYS 654 171.266 -6.102 -14.941 487 2HE LYS 654 2HE LYS 654 172.797 -6.513 -15.714 488 1HZ LYS 654 1HZ LYS 654 171.732 -8.890 -15.715 489 2HZ LYS 654 2HZ LYS 654 171.362 -7.773 -16.930 490 3HZ LYS 654 3HZ LYS 654 170.284 -8.016 -15.650 491 H GLY 655 H GLY 655 169.954 -7.485 -9.125 492 1HA GLY 655 1HA GLY 655 167.526 -8.043 -9.389 493 2HA GLY 655 2HA GLY 655 168.023 -9.720 -9.216 494 H SER 656 H SER 656 170.069 -8.752 -7.168 495 HA SER 656 HA SER 656 168.474 -9.252 -4.877 496 1HB SER 656 1HB SER 656 171.334 -8.325 -5.184 497 2HB SER 656 2HB SER 656 170.593 -8.685 -3.625 498 HG SER 656 HG SER 656 170.734 -10.749 -4.035 499 H LEU 657 H LEU 657 168.687 -7.750 -2.907 500 HA LEU 657 HA LEU 657 167.270 -5.403 -3.414 501 1HB LEU 657 1HB LEU 657 168.785 -6.417 -1.040 502 2HB LEU 657 2HB LEU 657 168.083 -4.811 -1.019 503 HG LEU 657 HG LEU 657 166.202 -6.900 -1.850 504 1HD1 LEU 657 1HD1 LEU 657 166.258 -8.290 -0.108 505 2HD1 LEU 657 2HD1 LEU 657 166.510 -6.977 1.041 506 3HD1 LEU 657 3HD1 LEU 657 167.884 -7.669 0.182 507 1HD2 LEU 657 1HD2 LEU 657 164.761 -5.385 -1.098 508 2HD2 LEU 657 2HD2 LEU 657 166.134 -4.321 -0.792 509 3HD2 LEU 657 3HD2 LEU 657 165.521 -5.362 0.494 510 H ALA 658 H ALA 658 170.676 -5.818 -2.542 511 HA ALA 658 HA ALA 658 171.540 -3.232 -2.437 512 1HB ALA 658 1HB ALA 658 173.232 -5.225 -3.877 513 2HB ALA 658 2HB ALA 658 172.821 -5.485 -2.182 514 3HB ALA 658 3HB ALA 658 173.688 -4.028 -2.666 515 H ASP 659 H ASP 659 170.712 -5.060 -5.296 516 HA ASP 659 HA ASP 659 171.826 -3.103 -7.102 517 1HB ASP 659 1HB ASP 659 171.341 -5.751 -7.361 518 2HB ASP 659 2HB ASP 659 169.910 -5.093 -8.150 519 H VAL 660 H VAL 660 168.573 -4.148 -6.167 520 HA VAL 660 HA VAL 660 167.310 -2.168 -7.817 521 HB VAL 660 HB VAL 660 165.256 -2.867 -6.304 522 1HG1 VAL 660 1HG1 VAL 660 166.242 -4.988 -8.152 523 2HG1 VAL 660 2HG1 VAL 660 165.915 -3.373 -8.781 524 3HG1 VAL 660 3HG1 VAL 660 164.630 -4.288 -7.994 525 1HG2 VAL 660 1HG2 VAL 660 167.074 -4.241 -4.919 526 2HG2 VAL 660 2HG2 VAL 660 166.678 -5.460 -6.129 527 3HG2 VAL 660 3HG2 VAL 660 165.410 -4.790 -5.103 528 H VAL 661 H VAL 661 167.700 -2.536 -4.281 529 HA VAL 661 HA VAL 661 166.549 0.077 -3.842 530 HB VAL 661 HB VAL 661 166.398 -2.003 -2.276 531 1HG1 VAL 661 1HG1 VAL 661 168.856 -2.275 -2.059 532 2HG1 VAL 661 2HG1 VAL 661 168.027 -2.108 -0.513 533 3HG1 VAL 661 3HG1 VAL 661 168.913 -0.743 -1.192 534 1HG2 VAL 661 1HG2 VAL 661 165.482 0.301 -1.904 535 2HG2 VAL 661 2HG2 VAL 661 166.966 0.677 -1.029 536 3HG2 VAL 661 3HG2 VAL 661 165.889 -0.587 -0.435 537 H GLY 662 H GLY 662 169.766 -1.402 -3.587 538 1HA GLY 662 1HA GLY 662 170.992 1.080 -2.775 539 2HA GLY 662 2HA GLY 662 171.826 -0.419 -3.158 540 H HIS 663 H HIS 663 171.138 -0.941 -5.696 541 HA HIS 663 HA HIS 663 171.559 -0.440 -7.868 542 1HB HIS 663 1HB HIS 663 169.988 1.595 -7.035 543 2HB HIS 663 2HB HIS 663 171.426 2.494 -7.506 544 HD1 HIS 663 HD1 HIS 663 172.045 2.507 -10.024 545 HD2 HIS 663 HD2 HIS 663 168.543 0.455 -9.135 546 HE1 HIS 663 HE1 HIS 663 170.902 2.138 -12.233 547 HE2 HIS 663 HE2 HIS 663 168.822 0.829 -11.678 548 H LEU 664 H LEU 664 173.786 -1.132 -7.027 549 HA LEU 664 HA LEU 664 175.674 0.938 -7.864 550 1HB LEU 664 1HB LEU 664 177.251 -0.153 -6.054 551 2HB LEU 664 2HB LEU 664 176.190 1.184 -5.661 552 HG LEU 664 HG LEU 664 176.245 -0.622 -3.951 553 1HD1 LEU 664 1HD1 LEU 664 174.213 0.936 -4.638 554 2HD1 LEU 664 2HD1 LEU 664 174.083 -0.277 -3.365 555 3HD1 LEU 664 3HD1 LEU 664 173.471 -0.626 -4.981 556 1HD2 LEU 664 1HD2 LEU 664 174.500 -2.329 -5.616 557 2HD2 LEU 664 2HD2 LEU 664 175.651 -2.765 -4.352 558 3HD2 LEU 664 3HD2 LEU 664 176.227 -2.364 -5.970 559 H ARG 665 H ARG 665 177.967 -0.200 -8.053 560 HA ARG 665 HA ARG 665 177.630 -2.906 -9.116 561 1HB ARG 665 1HB ARG 665 178.731 -0.555 -10.647 562 2HB ARG 665 2HB ARG 665 178.995 -2.224 -11.129 563 1HG ARG 665 1HG ARG 665 177.046 -2.269 -12.169 564 2HG ARG 665 2HG ARG 665 176.209 -1.833 -10.678 565 1HD ARG 665 1HD ARG 665 175.698 0.121 -11.602 566 2HD ARG 665 2HD ARG 665 177.412 0.526 -11.599 567 HE ARG 665 HE ARG 665 176.776 -1.064 -13.851 568 1HH1 ARG 665 1HH1 ARG 665 176.419 2.173 -12.595 569 2HH1 ARG 665 2HH1 ARG 665 176.341 2.906 -14.163 570 1HH2 ARG 665 1HH2 ARG 665 176.673 -0.100 -15.912 571 2HH2 ARG 665 2HH2 ARG 665 176.484 1.616 -16.045 572 H ALA 666 H ALA 666 179.682 -4.001 -9.545 573 HA ALA 666 HA ALA 666 181.435 -3.863 -7.390 574 1HB ALA 666 1HB ALA 666 182.608 -5.583 -8.384 575 2HB ALA 666 2HB ALA 666 182.339 -4.965 -10.014 576 3HB ALA 666 3HB ALA 666 181.022 -5.743 -9.137 577 H GLY 667 H GLY 667 183.053 -2.535 -6.900 578 1HA GLY 667 1HA GLY 667 185.187 -1.578 -7.783 579 2HA GLY 667 2HA GLY 667 184.208 -0.908 -9.080 580 H ASP 668 H ASP 668 182.036 -0.448 -6.976 581 HA ASP 668 HA ASP 668 182.641 2.266 -6.469 582 1HB ASP 668 1HB ASP 668 180.449 0.391 -5.725 583 2HB ASP 668 2HB ASP 668 180.610 1.869 -4.782 584 H GLU 669 H GLU 669 183.084 3.331 -4.513 585 HA GLU 669 HA GLU 669 184.391 1.618 -2.513 586 1HB GLU 669 1HB GLU 669 185.806 3.296 -3.703 587 2HB GLU 669 2HB GLU 669 184.817 4.568 -3.000 588 1HG GLU 669 1HG GLU 669 185.457 3.687 -0.744 589 2HG GLU 669 2HG GLU 669 186.605 2.628 -1.562 590 H VAL 670 H VAL 670 183.024 1.205 -0.888 591 HA VAL 670 HA VAL 670 181.119 3.215 -0.016 592 HB VAL 670 HB VAL 670 181.584 0.367 0.876 593 1HG1 VAL 670 1HG1 VAL 670 179.972 2.529 2.104 594 2HG1 VAL 670 2HG1 VAL 670 180.744 1.128 2.843 595 3HG1 VAL 670 3HG1 VAL 670 179.219 0.939 1.980 596 1HG2 VAL 670 1HG2 VAL 670 179.116 1.511 -0.390 597 2HG2 VAL 670 2HG2 VAL 670 179.621 -0.175 -0.274 598 3HG2 VAL 670 3HG2 VAL 670 180.469 0.925 -1.360 599 H LEU 671 H LEU 671 182.077 4.810 1.118 600 HA LEU 671 HA LEU 671 184.184 4.259 3.014 601 1HB LEU 671 1HB LEU 671 182.808 6.897 2.877 602 2HB LEU 671 2HB LEU 671 184.506 6.537 3.124 603 HG LEU 671 HG LEU 671 183.139 6.116 0.475 604 1HD1 LEU 671 1HD1 LEU 671 184.480 8.293 -0.043 605 2HD1 LEU 671 2HD1 LEU 671 184.269 8.587 1.683 606 3HD1 LEU 671 3HD1 LEU 671 182.859 8.374 0.644 607 1HD2 LEU 671 1HD2 LEU 671 185.259 4.924 0.915 608 2HD2 LEU 671 2HD2 LEU 671 186.041 6.480 1.191 609 3HD2 LEU 671 3HD2 LEU 671 185.377 6.096 -0.398 610 H GLU 672 H GLU 672 180.927 3.877 3.154 611 HA GLU 672 HA GLU 672 180.942 4.123 6.070 612 1HB GLU 672 1HB GLU 672 178.935 5.381 4.215 613 2HB GLU 672 2HB GLU 672 178.586 5.070 5.910 614 1HG GLU 672 1HG GLU 672 179.868 6.771 6.628 615 2HG GLU 672 2HG GLU 672 181.087 6.521 5.380 616 H TRP 673 H TRP 673 180.146 2.369 7.016 617 HA TRP 673 HA TRP 673 178.196 0.715 5.560 618 1HB TRP 673 1HB TRP 673 180.591 -0.208 5.550 619 2HB TRP 673 2HB TRP 673 180.378 -0.466 7.278 620 HD1 TRP 673 HD1 TRP 673 178.304 -2.191 7.959 621 HE1 TRP 673 HE1 TRP 673 177.489 -4.298 6.725 622 HE3 TRP 673 HE3 TRP 673 180.310 -1.258 3.356 623 HZ2 TRP 673 HZ2 TRP 673 177.684 -5.421 4.136 624 HZ3 TRP 673 HZ3 TRP 673 179.947 -2.892 1.560 625 HH2 TRP 673 HH2 TRP 673 178.661 -4.935 1.942 626 H ASN 674 H ASN 674 176.380 0.882 6.714 627 HA ASN 674 HA ASN 674 174.914 0.731 8.449 628 1HB ASN 674 1HB ASN 674 176.320 -1.281 9.062 629 2HB ASN 674 2HB ASN 674 177.216 -0.229 10.156 630 1HD2 ASN 674 1HD2 ASN 674 173.822 -0.913 9.360 631 2HD2 ASN 674 2HD2 ASN 674 173.287 -1.029 10.998 632 H GLY 675 H GLY 675 176.231 3.154 7.883 633 1HA GLY 675 1HA GLY 675 176.295 5.278 8.754 634 2HA GLY 675 2HA GLY 675 175.573 4.630 10.217 635 H LYS 676 H LYS 676 178.523 3.152 9.222 636 HA LYS 676 HA LYS 676 179.918 4.607 11.366 637 1HB LYS 676 1HB LYS 676 180.496 2.599 12.149 638 2HB LYS 676 2HB LYS 676 179.621 1.829 10.839 639 1HG LYS 676 1HG LYS 676 181.568 0.973 10.189 640 2HG LYS 676 2HG LYS 676 182.038 2.593 9.666 641 1HD LYS 676 1HD LYS 676 183.705 1.522 11.152 642 2HD LYS 676 2HD LYS 676 183.065 3.026 11.811 643 1HE LYS 676 1HE LYS 676 181.441 0.825 12.670 644 2HE LYS 676 2HE LYS 676 183.135 0.489 13.030 645 1HZ LYS 676 1HZ LYS 676 183.060 2.931 13.913 646 2HZ LYS 676 2HZ LYS 676 182.523 1.651 14.879 647 3HZ LYS 676 3HZ LYS 676 181.404 2.618 14.060 648 HA PRO 677 HA PRO 677 182.719 6.040 8.249 649 1HB PRO 677 1HB PRO 677 184.734 6.929 9.781 650 2HB PRO 677 2HB PRO 677 183.162 7.740 9.775 651 1HG PRO 677 1HG PRO 677 184.303 5.832 11.774 652 2HG PRO 677 2HG PRO 677 183.353 7.303 12.045 653 1HD PRO 677 1HD PRO 677 182.321 4.744 12.100 654 2HD PRO 677 2HD PRO 677 181.368 6.206 11.782 655 H LEU 678 H LEU 678 183.757 4.640 7.015 656 HA LEU 678 HA LEU 678 185.312 2.474 8.130 657 1HB LEU 678 1HB LEU 678 184.724 3.163 5.254 658 2HB LEU 678 2HB LEU 678 185.474 1.681 5.820 659 HG LEU 678 HG LEU 678 182.654 2.570 6.427 660 1HD1 LEU 678 1HD1 LEU 678 183.853 0.955 4.300 661 2HD1 LEU 678 2HD1 LEU 678 182.294 1.775 4.366 662 3HD1 LEU 678 3HD1 LEU 678 182.490 0.193 5.118 663 1HD2 LEU 678 1HD2 LEU 678 183.718 1.288 8.257 664 2HD2 LEU 678 2HD2 LEU 678 184.038 -0.021 7.117 665 3HD2 LEU 678 3HD2 LEU 678 182.376 0.430 7.501 666 HA PRO 679 HA PRO 679 188.519 5.147 5.266 667 1HB PRO 679 1HB PRO 679 187.733 7.537 6.898 668 2HB PRO 679 2HB PRO 679 188.443 7.471 5.280 669 1HG PRO 679 1HG PRO 679 185.836 7.887 5.583 670 2HG PRO 679 2HG PRO 679 186.441 6.848 4.281 671 1HD PRO 679 1HD PRO 679 185.050 6.114 6.794 672 2HD PRO 679 2HD PRO 679 185.079 5.272 5.233 673 H GLY 680 H GLY 680 190.247 4.252 6.175 674 1HA GLY 680 1HA GLY 680 192.126 4.605 7.655 675 2HA GLY 680 2HA GLY 680 190.992 5.119 8.893 676 H ALA 681 H ALA 681 189.299 2.698 7.852 677 HA ALA 681 HA ALA 681 190.497 0.812 9.731 678 1HB ALA 681 1HB ALA 681 187.813 1.497 8.949 679 2HB ALA 681 2HB ALA 681 188.375 0.572 10.341 680 3HB ALA 681 3HB ALA 681 188.080 -0.240 8.803 681 H THR 682 H THR 682 191.230 -1.184 9.188 682 HA THR 682 HA THR 682 191.655 -1.688 6.353 683 HB THR 682 HB THR 682 193.607 -1.937 7.695 684 HG1 THR 682 HG1 THR 682 194.199 -3.894 7.051 685 1HG2 THR 682 1HG2 THR 682 193.185 -2.274 9.876 686 2HG2 THR 682 2HG2 THR 682 193.467 -3.955 9.421 687 3HG2 THR 682 3HG2 THR 682 191.818 -3.344 9.564 688 H ASN 683 H ASN 683 191.753 -4.323 6.051 689 HA ASN 683 HA ASN 683 189.150 -5.128 5.634 690 1HB ASN 683 1HB ASN 683 190.127 -7.473 5.526 691 2HB ASN 683 2HB ASN 683 190.871 -6.274 4.474 692 1HD2 ASN 683 1HD2 ASN 683 191.369 -8.560 6.900 693 2HD2 ASN 683 2HD2 ASN 683 193.030 -8.216 7.229 694 H GLU 684 H GLU 684 191.256 -5.955 8.379 695 HA GLU 684 HA GLU 684 189.422 -7.626 9.691 696 1HB GLU 684 1HB GLU 684 192.009 -6.501 10.232 697 2HB GLU 684 2HB GLU 684 190.999 -6.353 11.663 698 1HG GLU 684 1HG GLU 684 190.467 -8.891 11.028 699 2HG GLU 684 2HG GLU 684 192.086 -8.758 10.343 700 H GLU 685 H GLU 685 189.894 -4.146 9.791 701 HA GLU 685 HA GLU 685 188.192 -3.626 11.983 702 1HB GLU 685 1HB GLU 685 189.355 -2.026 9.761 703 2HB GLU 685 2HB GLU 685 187.951 -1.356 10.579 704 1HG GLU 685 1HG GLU 685 189.987 -0.512 11.565 705 2HG GLU 685 2HG GLU 685 189.119 -1.524 12.719 706 H VAL 686 H VAL 686 187.595 -3.178 8.501 707 HA VAL 686 HA VAL 686 184.893 -2.696 8.566 708 HB VAL 686 HB VAL 686 186.462 -4.228 6.491 709 1HG1 VAL 686 1HG1 VAL 686 183.706 -3.022 6.296 710 2HG1 VAL 686 2HG1 VAL 686 184.108 -4.738 6.257 711 3HG1 VAL 686 3HG1 VAL 686 184.631 -3.681 4.946 712 1HG2 VAL 686 1HG2 VAL 686 185.521 -1.459 6.044 713 2HG2 VAL 686 2HG2 VAL 686 187.015 -2.247 5.537 714 3HG2 VAL 686 3HG2 VAL 686 186.839 -1.676 7.197 715 H TYR 687 H TYR 687 186.560 -5.814 8.598 716 HA TYR 687 HA TYR 687 184.480 -7.568 8.261 717 1HB TYR 687 1HB TYR 687 186.851 -7.760 10.118 718 2HB TYR 687 2HB TYR 687 185.742 -9.096 9.847 719 HD1 TYR 687 HD1 TYR 687 188.536 -9.534 9.364 720 HD2 TYR 687 HD2 TYR 687 185.635 -7.836 6.758 721 HE1 TYR 687 HE1 TYR 687 189.871 -10.239 7.424 722 HE2 TYR 687 HE2 TYR 687 186.962 -8.534 4.812 723 HH TYR 687 HH TYR 687 188.720 -10.405 4.359 724 H ASN 688 H ASN 688 185.489 -6.030 11.282 725 HA ASN 688 HA ASN 688 183.457 -7.200 12.877 726 1HB ASN 688 1HB ASN 688 185.452 -5.023 13.204 727 2HB ASN 688 2HB ASN 688 184.061 -4.993 14.284 728 1HD2 ASN 688 1HD2 ASN 688 185.756 -7.771 12.921 729 2HD2 ASN 688 2HD2 ASN 688 186.261 -8.431 14.435 730 H ILE 689 H ILE 689 183.695 -4.163 11.096 731 HA ILE 689 HA ILE 689 181.358 -2.948 12.062 732 HB ILE 689 HB ILE 689 182.905 -2.636 9.502 733 1HG1 ILE 689 1HG1 ILE 689 183.055 -0.262 10.601 734 2HG1 ILE 689 2HG1 ILE 689 182.577 -1.119 12.063 735 1HG2 ILE 689 1HG2 ILE 689 180.368 -1.203 10.268 736 2HG2 ILE 689 2HG2 ILE 689 180.658 -2.176 8.826 737 3HG2 ILE 689 3HG2 ILE 689 181.487 -0.633 9.031 738 1HD1 ILE 689 1HD1 ILE 689 184.527 -2.428 12.050 739 2HD1 ILE 689 2HD1 ILE 689 185.048 -0.781 11.697 740 3HD1 ILE 689 3HD1 ILE 689 184.921 -1.964 10.395 741 H ILE 690 H ILE 690 181.768 -4.475 8.859 742 HA ILE 690 HA ILE 690 179.110 -4.557 8.145 743 HB ILE 690 HB ILE 690 181.202 -6.614 7.430 744 1HG1 ILE 690 1HG1 ILE 690 180.529 -3.885 6.352 745 2HG1 ILE 690 2HG1 ILE 690 182.102 -4.534 6.797 746 1HG2 ILE 690 1HG2 ILE 690 178.621 -5.857 6.059 747 2HG2 ILE 690 2HG2 ILE 690 178.952 -7.371 6.900 748 3HG2 ILE 690 3HG2 ILE 690 179.827 -6.974 5.422 749 1HD1 ILE 690 1HD1 ILE 690 181.212 -6.171 4.731 750 2HD1 ILE 690 2HD1 ILE 690 182.445 -4.913 4.646 751 3HD1 ILE 690 3HD1 ILE 690 180.769 -4.533 4.251 752 H LEU 691 H LEU 691 180.945 -7.225 9.679 753 HA LEU 691 HA LEU 691 178.924 -9.070 9.918 754 1HB LEU 691 1HB LEU 691 181.334 -8.437 11.546 755 2HB LEU 691 2HB LEU 691 180.178 -9.584 12.193 756 HG LEU 691 HG LEU 691 180.627 -11.168 10.568 757 1HD1 LEU 691 1HD1 LEU 691 181.803 -8.982 8.855 758 2HD1 LEU 691 2HD1 LEU 691 180.251 -9.785 8.613 759 3HD1 LEU 691 3HD1 LEU 691 181.751 -10.695 8.434 760 1HD2 LEU 691 1HD2 LEU 691 183.127 -9.622 11.155 761 2HD2 LEU 691 2HD2 LEU 691 183.158 -11.132 10.245 762 3HD2 LEU 691 3HD2 LEU 691 182.551 -11.111 11.901 763 H GLU 692 H GLU 692 179.737 -6.510 12.219 764 HA GLU 692 HA GLU 692 177.720 -7.070 14.088 765 1HB GLU 692 1HB GLU 692 179.319 -4.616 13.435 766 2HB GLU 692 2HB GLU 692 178.033 -4.547 14.631 767 1HG GLU 692 1HG GLU 692 179.562 -6.796 15.289 768 2HG GLU 692 2HG GLU 692 180.715 -5.523 14.891 769 H SER 693 H SER 693 177.619 -5.492 11.013 770 HA SER 693 HA SER 693 174.950 -4.413 11.557 771 1HB SER 693 1HB SER 693 176.410 -2.798 10.573 772 2HB SER 693 2HB SER 693 176.909 -3.925 9.312 773 HG SER 693 HG SER 693 174.220 -3.106 9.620 774 H LYS 694 H LYS 694 176.404 -7.125 10.104 775 HA LYS 694 HA LYS 694 174.462 -7.522 8.041 776 1HB LYS 694 1HB LYS 694 175.582 -9.495 7.519 777 2HB LYS 694 2HB LYS 694 176.855 -8.478 8.170 778 1HG LYS 694 1HG LYS 694 176.989 -9.703 10.146 779 2HG LYS 694 2HG LYS 694 175.405 -10.441 9.910 780 1HD LYS 694 1HD LYS 694 176.329 -11.633 7.931 781 2HD LYS 694 2HD LYS 694 177.919 -10.983 8.336 782 1HE LYS 694 1HE LYS 694 178.146 -12.316 10.183 783 2HE LYS 694 2HE LYS 694 176.406 -12.420 10.454 784 1HZ LYS 694 1HZ LYS 694 177.835 -14.415 9.466 785 2HZ LYS 694 2HZ LYS 694 177.414 -13.652 8.017 786 3HZ LYS 694 3HZ LYS 694 176.205 -14.178 9.077 787 H SER 695 H SER 695 174.490 -8.044 11.413 788 HA SER 695 HA SER 695 172.518 -10.157 11.386 789 1HB SER 695 1HB SER 695 174.124 -8.748 13.425 790 2HB SER 695 2HB SER 695 172.523 -9.260 13.957 791 HG SER 695 HG SER 695 173.685 -11.032 14.307 792 H GLU 696 H GLU 696 172.596 -6.681 11.632 793 HA GLU 696 HA GLU 696 170.010 -6.286 12.698 794 1HB GLU 696 1HB GLU 696 172.127 -4.653 11.560 795 2HB GLU 696 2HB GLU 696 170.537 -4.080 11.077 796 1HG GLU 696 1HG GLU 696 169.860 -3.893 13.386 797 2HG GLU 696 2HG GLU 696 171.397 -4.576 13.918 798 HA PRO 697 HA PRO 697 167.416 -7.080 9.222 799 1HB PRO 697 1HB PRO 697 165.319 -5.469 9.719 800 2HB PRO 697 2HB PRO 697 165.680 -6.877 10.726 801 1HG PRO 697 1HG PRO 697 166.291 -3.986 11.218 802 2HG PRO 697 2HG PRO 697 165.671 -5.207 12.346 803 1HD PRO 697 1HD PRO 697 168.292 -4.453 12.238 804 2HD PRO 697 2HD PRO 697 167.759 -6.063 12.761 805 H GLN 698 H GLN 698 168.846 -4.015 9.661 806 HA GLN 698 HA GLN 698 168.373 -3.384 6.852 807 1HB GLN 698 1HB GLN 698 166.641 -2.185 8.216 808 2HB GLN 698 2HB GLN 698 167.945 -1.324 9.021 809 1HG GLN 698 1HG GLN 698 168.530 -0.158 7.085 810 2HG GLN 698 2HG GLN 698 167.642 -1.269 6.043 811 1HE2 GLN 698 1HE2 GLN 698 167.554 1.720 6.601 812 2HE2 GLN 698 2HE2 GLN 698 165.875 2.045 6.845 813 H VAL 699 H VAL 699 169.866 -1.801 5.995 814 HA VAL 699 HA VAL 699 172.226 -1.262 7.643 815 HB VAL 699 HB VAL 699 172.276 -2.680 4.976 816 1HG1 VAL 699 1HG1 VAL 699 173.991 -0.956 4.954 817 2HG1 VAL 699 2HG1 VAL 699 174.729 -2.553 5.107 818 3HG1 VAL 699 3HG1 VAL 699 174.590 -1.508 6.521 819 1HG2 VAL 699 1HG2 VAL 699 173.923 -4.024 6.702 820 2HG2 VAL 699 2HG2 VAL 699 172.254 -4.458 6.333 821 3HG2 VAL 699 3HG2 VAL 699 172.618 -3.489 7.762 822 H GLU 700 H GLU 700 173.521 0.452 6.910 823 HA GLU 700 HA GLU 700 172.384 2.099 4.755 824 1HB GLU 700 1HB GLU 700 172.004 2.807 7.290 825 2HB GLU 700 2HB GLU 700 173.638 3.431 7.113 826 1HG GLU 700 1HG GLU 700 172.950 5.181 5.933 827 2HG GLU 700 2HG GLU 700 171.931 4.184 4.896 828 H ILE 701 H ILE 701 173.890 2.044 3.189 829 HA ILE 701 HA ILE 701 176.700 2.391 3.996 830 HB ILE 701 HB ILE 701 177.090 1.258 1.644 831 1HG1 ILE 701 1HG1 ILE 701 174.403 0.172 2.518 832 2HG1 ILE 701 2HG1 ILE 701 174.763 1.017 1.017 833 1HG2 ILE 701 1HG2 ILE 701 176.480 -0.136 4.237 834 2HG2 ILE 701 2HG2 ILE 701 178.049 0.384 3.620 835 3HG2 ILE 701 3HG2 ILE 701 177.197 -0.952 2.846 836 1HD1 ILE 701 1HD1 ILE 701 175.940 -0.806 0.144 837 2HD1 ILE 701 2HD1 ILE 701 174.508 -1.505 0.907 838 3HD1 ILE 701 3HD1 ILE 701 176.072 -1.583 1.723 839 H ILE 702 H ILE 702 177.926 3.852 2.944 840 HA ILE 702 HA ILE 702 176.599 5.458 0.857 841 HB ILE 702 HB ILE 702 178.710 6.558 2.694 842 1HG1 ILE 702 1HG1 ILE 702 176.987 5.796 4.196 843 2HG1 ILE 702 2HG1 ILE 702 176.835 7.542 4.037 844 1HG2 ILE 702 1HG2 ILE 702 178.194 8.595 1.831 845 2HG2 ILE 702 2HG2 ILE 702 176.504 8.175 1.557 846 3HG2 ILE 702 3HG2 ILE 702 177.747 7.596 0.449 847 1HD1 ILE 702 1HD1 ILE 702 175.203 5.854 2.228 848 2HD1 ILE 702 2HD1 ILE 702 174.834 7.407 2.977 849 3HD1 ILE 702 3HD1 ILE 702 174.749 5.926 3.930 850 H VAL 703 H VAL 703 177.873 6.182 -0.871 851 HA VAL 703 HA VAL 703 180.570 5.012 -1.028 852 HB VAL 703 HB VAL 703 180.118 4.633 -3.485 853 1HG1 VAL 703 1HG1 VAL 703 178.501 3.030 -1.505 854 2HG1 VAL 703 2HG1 VAL 703 180.216 2.817 -1.861 855 3HG1 VAL 703 3HG1 VAL 703 179.011 2.490 -3.106 856 1HG2 VAL 703 1HG2 VAL 703 177.875 6.067 -3.103 857 2HG2 VAL 703 2HG2 VAL 703 177.228 4.435 -2.929 858 3HG2 VAL 703 3HG2 VAL 703 178.073 4.895 -4.407 859 H SER 704 H SER 704 181.643 5.884 -3.161 860 HA SER 704 HA SER 704 181.055 8.726 -3.541 861 1HB SER 704 1HB SER 704 183.215 9.479 -2.987 862 2HB SER 704 2HB SER 704 182.825 8.334 -1.703 863 HG SER 704 HG SER 704 184.082 6.790 -2.750 864 H ARG 705 H ARG 705 180.810 8.955 -5.661 865 HA ARG 705 HA ARG 705 181.896 7.121 -7.554 866 1HB ARG 705 1HB ARG 705 180.056 9.380 -7.568 867 2HB ARG 705 2HB ARG 705 181.092 9.360 -8.988 868 1HG ARG 705 1HG ARG 705 179.506 8.016 -9.820 869 2HG ARG 705 2HG ARG 705 180.341 6.769 -8.893 870 1HD ARG 705 1HD ARG 705 178.795 6.940 -7.103 871 2HD ARG 705 2HD ARG 705 178.092 8.416 -7.763 872 HE ARG 705 HE ARG 705 177.474 5.712 -8.515 873 1HH1 ARG 705 1HH1 ARG 705 177.456 9.044 -9.552 874 2HH1 ARG 705 2HH1 ARG 705 176.198 8.805 -10.718 875 1HH2 ARG 705 1HH2 ARG 705 175.821 5.395 -10.049 876 2HH2 ARG 705 2HH2 ARG 705 175.269 6.734 -11.000 877 H GLU 943 H GLU 943 189.224 -13.254 -3.927 878 HA GLU 943 HA GLU 943 190.659 -11.671 -3.110 879 1HB GLU 943 1HB GLU 943 191.447 -11.061 -5.435 880 2HB GLU 943 2HB GLU 943 190.055 -9.993 -5.550 881 1HG GLU 943 1HG GLU 943 191.989 -8.715 -4.948 882 2HG GLU 943 2HG GLU 943 190.876 -8.759 -3.582 883 H GLU 944 H GLU 944 188.111 -12.254 -2.458 884 HA GLU 944 HA GLU 944 186.632 -9.727 -2.394 885 1HB GLU 944 1HB GLU 944 185.853 -12.575 -1.796 886 2HB GLU 944 2HB GLU 944 184.825 -11.217 -1.363 887 1HG GLU 944 1HG GLU 944 183.918 -11.534 -3.374 888 2HG GLU 944 2HG GLU 944 185.338 -10.675 -3.970 889 H GLY 945 H GLY 945 185.387 -9.395 -0.243 890 1HA GLY 945 1HA GLY 945 187.310 -9.792 1.968 891 2HA GLY 945 2HA GLY 945 186.364 -8.327 1.762 892 H ILE 946 H ILE 946 183.888 -8.828 1.622 893 HA ILE 946 HA ILE 946 183.173 -10.959 3.504 894 HB ILE 946 HB ILE 946 181.684 -8.441 3.907 895 1HG1 ILE 946 1HG1 ILE 946 184.586 -8.738 4.690 896 2HG1 ILE 946 2HG1 ILE 946 183.814 -7.394 3.848 897 1HG2 ILE 946 1HG2 ILE 946 182.813 -9.824 6.211 898 2HG2 ILE 946 2HG2 ILE 946 181.888 -10.888 5.150 899 3HG2 ILE 946 3HG2 ILE 946 181.135 -9.443 5.824 900 1HD1 ILE 946 1HD1 ILE 946 182.492 -7.009 5.959 901 2HD1 ILE 946 2HD1 ILE 946 184.218 -6.660 6.044 902 3HD1 ILE 946 3HD1 ILE 946 183.581 -8.152 6.736 903 H TRP 947 H TRP 947 180.911 -11.474 3.527 904 HA TRP 947 HA TRP 947 179.717 -11.103 0.891 905 1HB TRP 947 1HB TRP 947 179.695 -13.211 2.871 906 2HB TRP 947 2HB TRP 947 178.053 -12.773 2.404 907 HD1 TRP 947 HD1 TRP 947 180.136 -15.386 1.559 908 HE1 TRP 947 HE1 TRP 947 180.043 -16.073 -0.919 909 HE3 TRP 947 HE3 TRP 947 178.014 -11.157 -0.384 910 HZ2 TRP 947 HZ2 TRP 947 179.184 -14.967 -3.374 911 HZ3 TRP 947 HZ3 TRP 947 177.588 -11.053 -2.805 912 HH2 TRP 947 HH2 TRP 947 178.163 -12.921 -4.267 913 H ALA 948 H ALA 948 178.302 -9.548 0.579 914 HA ALA 948 HA ALA 948 176.364 -8.925 2.673 915 1HB ALA 948 1HB ALA 948 178.373 -7.023 1.538 916 2HB ALA 948 2HB ALA 948 177.851 -7.238 3.210 917 3HB ALA 948 3HB ALA 948 176.791 -6.434 2.052 Start of MODEL 13 1 H HIS 597 H HIS 597 163.947 3.009 1.578 2 HA HIS 597 HA HIS 597 164.241 1.750 -0.182 3 1HB HIS 597 1HB HIS 597 161.790 3.302 -0.339 4 2HB HIS 597 2HB HIS 597 162.289 2.734 -1.928 5 HD1 HIS 597 HD1 HIS 597 163.512 -0.001 -0.823 6 HD2 HIS 597 HD2 HIS 597 159.706 1.493 -0.080 7 HE1 HIS 597 HE1 HIS 597 162.107 -2.002 -0.235 8 HE2 HIS 597 HE2 HIS 597 159.829 -1.064 0.293 9 HA PRO 598 HA PRO 598 165.268 4.463 -3.967 10 1HB PRO 598 1HB PRO 598 164.756 7.091 -3.975 11 2HB PRO 598 2HB PRO 598 163.488 5.902 -4.303 12 1HG PRO 598 1HG PRO 598 164.054 7.428 -1.798 13 2HG PRO 598 2HG PRO 598 162.495 7.028 -2.539 14 1HD PRO 598 1HD PRO 598 163.640 5.657 -0.429 15 2HD PRO 598 2HD PRO 598 162.413 4.989 -1.520 16 H VAL 599 H VAL 599 167.026 5.932 -4.624 17 HA VAL 599 HA VAL 599 168.730 6.697 -2.344 18 HB VAL 599 HB VAL 599 169.411 5.202 -4.842 19 1HG1 VAL 599 1HG1 VAL 599 171.296 7.034 -3.366 20 2HG1 VAL 599 2HG1 VAL 599 170.882 7.067 -5.080 21 3HG1 VAL 599 3HG1 VAL 599 171.828 5.730 -4.427 22 1HG2 VAL 599 1HG2 VAL 599 170.150 5.011 -1.936 23 2HG2 VAL 599 2HG2 VAL 599 170.892 4.018 -3.190 24 3HG2 VAL 599 3HG2 VAL 599 169.161 3.897 -2.879 25 H THR 600 H THR 600 170.085 8.502 -2.613 26 HA THR 600 HA THR 600 169.467 10.234 -4.905 27 HB THR 600 HB THR 600 169.670 12.123 -3.075 28 HG1 THR 600 HG1 THR 600 168.659 9.936 -1.579 29 1HG2 THR 600 1HG2 THR 600 167.681 11.833 -4.402 30 2HG2 THR 600 2HG2 THR 600 167.248 12.078 -2.709 31 3HG2 THR 600 3HG2 THR 600 167.190 10.460 -3.411 32 H TRP 601 H TRP 601 171.065 11.797 -5.420 33 HA TRP 601 HA TRP 601 173.680 11.386 -4.139 34 1HB TRP 601 1HB TRP 601 173.250 11.633 -7.122 35 2HB TRP 601 2HB TRP 601 174.787 11.389 -6.300 36 HD1 TRP 601 HD1 TRP 601 171.529 9.522 -7.143 37 HE1 TRP 601 HE1 TRP 601 171.992 6.992 -7.026 38 HE3 TRP 601 HE3 TRP 601 176.305 9.653 -5.320 39 HZ2 TRP 601 HZ2 TRP 601 174.102 5.280 -6.263 40 HZ3 TRP 601 HZ3 TRP 601 177.474 7.525 -4.925 41 HH2 TRP 601 HH2 TRP 601 176.393 5.385 -5.386 42 H GLN 602 H GLN 602 174.756 13.213 -3.661 43 HA GLN 602 HA GLN 602 173.787 15.728 -4.853 44 1HB GLN 602 1HB GLN 602 174.490 16.780 -2.645 45 2HB GLN 602 2HB GLN 602 173.045 15.778 -2.610 46 1HG GLN 602 1HG GLN 602 173.984 14.231 -1.275 47 2HG GLN 602 2HG GLN 602 175.574 14.395 -2.019 48 1HE2 GLN 602 1HE2 GLN 602 174.849 14.263 0.796 49 2HE2 GLN 602 2HE2 GLN 602 175.455 15.711 1.519 50 HA PRO 603 HA PRO 603 177.984 16.585 -5.923 51 1HB PRO 603 1HB PRO 603 178.029 19.270 -5.951 52 2HB PRO 603 2HB PRO 603 177.084 18.344 -7.124 53 1HG PRO 603 1HG PRO 603 176.178 19.739 -4.638 54 2HG PRO 603 2HG PRO 603 175.409 19.682 -6.235 55 1HD PRO 603 1HD PRO 603 174.653 18.115 -4.116 56 2HD PRO 603 2HD PRO 603 174.412 17.665 -5.815 57 H SER 604 H SER 604 179.808 16.454 -4.814 58 HA SER 604 HA SER 604 179.915 17.516 -2.092 59 1HB SER 604 1HB SER 604 180.660 15.088 -3.055 60 2HB SER 604 2HB SER 604 182.202 15.943 -3.102 61 HG SER 604 HG SER 604 181.641 16.557 -0.847 62 H LYS 605 H LYS 605 181.485 18.906 -1.366 63 HA LYS 605 HA LYS 605 182.645 20.648 -3.351 64 1HB LYS 605 1HB LYS 605 182.406 20.691 -0.366 65 2HB LYS 605 2HB LYS 605 183.544 21.767 -1.164 66 1HG LYS 605 1HG LYS 605 181.601 22.560 -2.576 67 2HG LYS 605 2HG LYS 605 180.558 21.682 -1.456 68 1HD LYS 605 1HD LYS 605 180.548 23.771 -0.501 69 2HD LYS 605 2HD LYS 605 181.900 23.028 0.354 70 1HE LYS 605 1HE LYS 605 183.289 24.014 -1.644 71 2HE LYS 605 2HE LYS 605 181.912 25.106 -1.783 72 1HZ LYS 605 1HZ LYS 605 182.380 25.237 0.829 73 2HZ LYS 605 2HZ LYS 605 183.088 26.286 -0.292 74 3HZ LYS 605 3HZ LYS 605 183.953 24.949 0.276 75 H GLU 606 H GLU 606 183.651 17.830 -1.856 76 HA GLU 606 HA GLU 606 186.394 18.423 -1.405 77 1HB GLU 606 1HB GLU 606 184.744 15.943 -1.525 78 2HB GLU 606 2HB GLU 606 186.494 15.792 -1.603 79 1HG GLU 606 1HG GLU 606 186.203 17.476 0.503 80 2HG GLU 606 2HG GLU 606 184.756 16.481 0.649 81 H GLY 607 H GLY 607 185.145 18.881 -4.218 82 1HA GLY 607 1HA GLY 607 186.947 19.076 -5.969 83 2HA GLY 607 2HA GLY 607 187.178 17.354 -5.715 84 H ASP 608 H ASP 608 183.951 18.582 -5.600 85 HA ASP 608 HA ASP 608 182.164 18.413 -7.004 86 1HB ASP 608 1HB ASP 608 183.866 19.492 -8.635 87 2HB ASP 608 2HB ASP 608 184.013 17.875 -9.318 88 H ARG 609 H ARG 609 181.969 16.402 -5.721 89 HA ARG 609 HA ARG 609 182.091 14.046 -7.485 90 1HB ARG 609 1HB ARG 609 182.421 13.966 -4.485 91 2HB ARG 609 2HB ARG 609 182.636 12.639 -5.618 92 1HG ARG 609 1HG ARG 609 184.358 14.858 -6.280 93 2HG ARG 609 2HG ARG 609 184.600 14.329 -4.613 94 1HD ARG 609 1HD ARG 609 186.092 13.106 -6.054 95 2HD ARG 609 2HD ARG 609 184.859 12.008 -5.433 96 HE ARG 609 HE ARG 609 184.091 11.710 -7.571 97 1HH1 ARG 609 1HH1 ARG 609 186.217 14.476 -7.502 98 2HH1 ARG 609 2HH1 ARG 609 186.256 14.646 -9.225 99 1HH2 ARG 609 1HH2 ARG 609 184.140 11.932 -9.837 100 2HH2 ARG 609 2HH2 ARG 609 185.077 13.202 -10.551 101 H LEU 610 H LEU 610 180.532 12.301 -6.738 102 HA LEU 610 HA LEU 610 178.047 13.584 -5.813 103 1HB LEU 610 1HB LEU 610 178.629 11.816 -8.076 104 2HB LEU 610 2HB LEU 610 177.236 11.320 -7.135 105 HG LEU 610 HG LEU 610 176.732 12.798 -9.104 106 1HD1 LEU 610 1HD1 LEU 610 174.929 12.805 -7.744 107 2HD1 LEU 610 2HD1 LEU 610 175.419 14.480 -7.488 108 3HD1 LEU 610 3HD1 LEU 610 175.868 13.242 -6.316 109 1HD2 LEU 610 1HD2 LEU 610 177.093 15.253 -8.693 110 2HD2 LEU 610 2HD2 LEU 610 178.550 14.329 -9.066 111 3HD2 LEU 610 3HD2 LEU 610 178.205 14.798 -7.401 112 H ILE 611 H ILE 611 177.519 12.989 -3.834 113 HA ILE 611 HA ILE 611 178.195 10.266 -2.938 114 HB ILE 611 HB ILE 611 177.489 12.540 -1.099 115 1HG1 ILE 611 1HG1 ILE 611 179.384 13.332 -2.382 116 2HG1 ILE 611 2HG1 ILE 611 179.939 12.869 -0.777 117 1HG2 ILE 611 1HG2 ILE 611 179.381 10.413 -0.335 118 2HG2 ILE 611 2HG2 ILE 611 177.711 9.907 -0.599 119 3HG2 ILE 611 3HG2 ILE 611 178.077 11.161 0.586 120 1HD1 ILE 611 1HD1 ILE 611 181.015 10.966 -1.573 121 2HD1 ILE 611 2HD1 ILE 611 181.356 12.194 -2.792 122 3HD1 ILE 611 3HD1 ILE 611 180.114 10.977 -3.089 123 H GLY 612 H GLY 612 176.629 8.951 -2.114 124 1HA GLY 612 1HA GLY 612 173.910 10.050 -1.872 125 2HA GLY 612 2HA GLY 612 174.184 8.648 -2.894 126 H ARG 613 H ARG 613 172.395 8.594 -0.781 127 HA ARG 613 HA ARG 613 173.787 6.962 1.235 128 1HB ARG 613 1HB ARG 613 172.563 8.941 2.108 129 2HB ARG 613 2HB ARG 613 171.074 8.286 1.438 130 1HG ARG 613 1HG ARG 613 171.032 6.512 2.964 131 2HG ARG 613 2HG ARG 613 172.723 6.743 3.410 132 1HD ARG 613 1HD ARG 613 172.088 8.047 5.089 133 2HD ARG 613 2HD ARG 613 171.377 9.173 3.934 134 HE ARG 613 HE ARG 613 169.503 7.203 4.236 135 1HH1 ARG 613 1HH1 ARG 613 171.160 9.396 6.387 136 2HH1 ARG 613 2HH1 ARG 613 169.849 9.478 7.515 137 1HH2 ARG 613 1HH2 ARG 613 167.777 7.310 5.718 138 2HH2 ARG 613 2HH2 ARG 613 167.928 8.294 7.136 139 H VAL 614 H VAL 614 173.528 4.818 1.044 140 HA VAL 614 HA VAL 614 171.127 3.866 -0.369 141 HB VAL 614 HB VAL 614 173.752 2.402 -0.141 142 1HG1 VAL 614 1HG1 VAL 614 172.542 1.406 -2.320 143 2HG1 VAL 614 2HG1 VAL 614 171.125 1.832 -1.360 144 3HG1 VAL 614 3HG1 VAL 614 172.336 0.731 -0.703 145 1HG2 VAL 614 1HG2 VAL 614 173.639 3.072 -2.732 146 2HG2 VAL 614 2HG2 VAL 614 174.470 4.048 -1.520 147 3HG2 VAL 614 3HG2 VAL 614 172.839 4.481 -2.034 148 H ILE 615 H ILE 615 169.747 2.637 0.687 149 HA ILE 615 HA ILE 615 170.592 1.440 3.242 150 HB ILE 615 HB ILE 615 167.711 1.840 2.514 151 1HG1 ILE 615 1HG1 ILE 615 168.800 4.032 2.183 152 2HG1 ILE 615 2HG1 ILE 615 167.725 4.041 3.579 153 1HG2 ILE 615 1HG2 ILE 615 169.314 1.349 4.968 154 2HG2 ILE 615 2HG2 ILE 615 167.793 0.625 4.445 155 3HG2 ILE 615 3HG2 ILE 615 167.808 2.254 5.120 156 1HD1 ILE 615 1HD1 ILE 615 170.714 3.723 3.710 157 2HD1 ILE 615 2HD1 ILE 615 169.606 3.867 5.074 158 3HD1 ILE 615 3HD1 ILE 615 169.837 5.229 3.977 159 H LEU 616 H LEU 616 170.750 -0.717 3.260 160 HA LEU 616 HA LEU 616 169.185 -2.218 1.270 161 1HB LEU 616 1HB LEU 616 172.041 -2.235 1.880 162 2HB LEU 616 2HB LEU 616 171.330 -3.839 1.861 163 HG LEU 616 HG LEU 616 171.181 -1.842 -0.397 164 1HD1 LEU 616 1HD1 LEU 616 173.381 -3.217 0.286 165 2HD1 LEU 616 2HD1 LEU 616 172.946 -2.841 -1.382 166 3HD1 LEU 616 3HD1 LEU 616 172.565 -4.424 -0.706 167 1HD2 LEU 616 1HD2 LEU 616 169.381 -3.788 0.140 168 2HD2 LEU 616 2HD2 LEU 616 170.553 -4.675 -0.836 169 3HD2 LEU 616 3HD2 LEU 616 169.788 -3.226 -1.483 170 H ASN 617 H ASN 617 168.006 -3.888 1.934 171 HA ASN 617 HA ASN 617 168.160 -4.629 4.779 172 1HB ASN 617 1HB ASN 617 165.870 -4.460 2.842 173 2HB ASN 617 2HB ASN 617 165.752 -5.467 4.282 174 1HD2 ASN 617 1HD2 ASN 617 165.783 -4.484 6.322 175 2HD2 ASN 617 2HD2 ASN 617 165.430 -2.805 6.523 176 H LYS 618 H LYS 618 168.366 -6.762 5.346 177 HA LYS 618 HA LYS 618 168.965 -8.608 3.164 178 1HB LYS 618 1HB LYS 618 169.443 -8.970 6.123 179 2HB LYS 618 2HB LYS 618 170.094 -9.956 4.821 180 1HG LYS 618 1HG LYS 618 171.559 -8.274 4.125 181 2HG LYS 618 2HG LYS 618 170.692 -7.025 5.021 182 1HD LYS 618 1HD LYS 618 172.330 -7.318 6.540 183 2HD LYS 618 2HD LYS 618 171.374 -8.720 7.025 184 1HE LYS 618 1HE LYS 618 173.148 -9.288 4.792 185 2HE LYS 618 2HE LYS 618 174.017 -8.739 6.223 186 1HZ LYS 618 1HZ LYS 618 173.318 -11.263 5.824 187 2HZ LYS 618 2HZ LYS 618 171.949 -10.734 6.665 188 3HZ LYS 618 3HZ LYS 618 173.481 -10.588 7.368 189 H ARG 619 H ARG 619 166.702 -8.148 5.793 190 HA ARG 619 HA ARG 619 165.543 -10.790 5.300 191 1HB ARG 619 1HB ARG 619 164.538 -10.678 7.388 192 2HB ARG 619 2HB ARG 619 166.059 -9.838 7.648 193 1HG ARG 619 1HG ARG 619 164.776 -8.276 8.603 194 2HG ARG 619 2HG ARG 619 164.438 -7.777 6.945 195 1HD ARG 619 1HD ARG 619 162.565 -9.612 7.121 196 2HD ARG 619 2HD ARG 619 162.746 -9.325 8.851 197 HE ARG 619 HE ARG 619 162.472 -6.834 7.873 198 1HH1 ARG 619 1HH1 ARG 619 160.616 -9.755 7.410 199 2HH1 ARG 619 2HH1 ARG 619 159.124 -8.914 7.158 200 1HH2 ARG 619 1HH2 ARG 619 160.508 -5.729 7.541 201 2HH2 ARG 619 2HH2 ARG 619 159.062 -6.630 7.232 202 H THR 620 H THR 620 164.844 -7.383 4.944 203 HA THR 620 HA THR 620 162.212 -8.078 3.819 204 HB THR 620 HB THR 620 162.022 -6.582 5.714 205 HG1 THR 620 HG1 THR 620 161.677 -4.931 3.456 206 1HG2 THR 620 1HG2 THR 620 164.275 -5.578 5.607 207 2HG2 THR 620 2HG2 THR 620 162.982 -4.392 5.795 208 3HG2 THR 620 3HG2 THR 620 163.746 -4.622 4.222 209 H THR 621 H THR 621 161.485 -6.408 2.130 210 HA THR 621 HA THR 621 161.730 -5.354 0.132 211 HB THR 621 HB THR 621 164.606 -5.204 1.019 212 HG1 THR 621 HG1 THR 621 163.648 -3.612 2.009 213 1HG2 THR 621 1HG2 THR 621 163.448 -4.090 -1.522 214 2HG2 THR 621 2HG2 THR 621 164.729 -5.295 -1.382 215 3HG2 THR 621 3HG2 THR 621 165.008 -3.642 -0.831 216 H MET 622 H MET 622 163.043 -8.349 0.878 217 HA MET 622 HA MET 622 163.734 -8.892 -1.920 218 1HB MET 622 1HB MET 622 165.406 -9.462 -0.175 219 2HB MET 622 2HB MET 622 164.254 -10.590 0.522 220 1HG MET 622 1HG MET 622 165.661 -11.916 -0.756 221 2HG MET 622 2HG MET 622 164.229 -11.713 -1.764 222 1HE MET 622 1HE MET 622 168.220 -9.497 -2.390 223 2HE MET 622 2HE MET 622 168.044 -10.876 -1.306 224 3HE MET 622 3HE MET 622 167.227 -9.356 -0.940 225 HA PRO 623 HA PRO 623 159.830 -11.086 -2.065 226 1HB PRO 623 1HB PRO 623 159.746 -11.481 -4.707 227 2HB PRO 623 2HB PRO 623 159.517 -9.873 -4.010 228 1HG PRO 623 1HG PRO 623 161.925 -11.043 -5.329 229 2HG PRO 623 2HG PRO 623 161.279 -9.398 -5.430 230 1HD PRO 623 1HD PRO 623 163.391 -10.197 -3.809 231 2HD PRO 623 2HD PRO 623 162.429 -8.724 -3.586 232 H LYS 624 H LYS 624 162.611 -12.279 -3.944 233 HA LYS 624 HA LYS 624 161.654 -15.004 -3.770 234 1HB LYS 624 1HB LYS 624 163.800 -15.495 -5.042 235 2HB LYS 624 2HB LYS 624 162.610 -14.493 -5.855 236 1HG LYS 624 1HG LYS 624 164.277 -13.085 -6.269 237 2HG LYS 624 2HG LYS 624 164.212 -12.655 -4.561 238 1HD LYS 624 1HD LYS 624 165.813 -14.565 -4.145 239 2HD LYS 624 2HD LYS 624 166.008 -14.668 -5.895 240 1HE LYS 624 1HE LYS 624 166.346 -11.977 -5.347 241 2HE LYS 624 2HE LYS 624 167.146 -12.783 -3.999 242 1HZ LYS 624 1HZ LYS 624 167.876 -12.701 -6.804 243 2HZ LYS 624 2HZ LYS 624 168.061 -14.207 -6.057 244 3HZ LYS 624 3HZ LYS 624 168.855 -12.851 -5.433 245 H GLU 625 H GLU 625 164.682 -13.353 -2.816 246 HA GLU 625 HA GLU 625 166.051 -13.675 -1.016 247 1HB GLU 625 1HB GLU 625 164.185 -15.785 0.040 248 2HB GLU 625 2HB GLU 625 165.288 -14.750 0.938 249 1HG GLU 625 1HG GLU 625 163.775 -12.835 0.012 250 2HG GLU 625 2HG GLU 625 162.602 -14.134 -0.192 251 H SER 626 H SER 626 167.790 -14.551 -1.981 252 HA SER 626 HA SER 626 167.868 -17.173 -3.064 253 1HB SER 626 1HB SER 626 169.813 -14.977 -2.612 254 2HB SER 626 2HB SER 626 170.485 -16.601 -2.754 255 HG SER 626 HG SER 626 169.929 -16.664 -4.802 256 H GLY 627 H GLY 627 169.137 -15.765 -0.055 257 1HA GLY 627 1HA GLY 627 168.793 -17.232 1.940 258 2HA GLY 627 2HA GLY 627 169.478 -18.521 0.961 259 H ALA 628 H ALA 628 170.613 -15.179 1.123 260 HA ALA 628 HA ALA 628 172.965 -16.071 2.624 261 1HB ALA 628 1HB ALA 628 172.939 -14.849 -0.105 262 2HB ALA 628 2HB ALA 628 173.884 -16.206 0.509 263 3HB ALA 628 3HB ALA 628 174.299 -14.559 0.976 264 H LEU 629 H LEU 629 173.097 -12.976 1.097 265 HA LEU 629 HA LEU 629 172.156 -11.695 3.566 266 1HB LEU 629 1HB LEU 629 174.193 -10.076 2.391 267 2HB LEU 629 2HB LEU 629 174.132 -10.775 3.987 268 HG LEU 629 HG LEU 629 176.188 -11.382 2.905 269 1HD1 LEU 629 1HD1 LEU 629 174.925 -13.992 2.651 270 2HD1 LEU 629 2HD1 LEU 629 174.500 -13.139 4.132 271 3HD1 LEU 629 3HD1 LEU 629 176.193 -13.441 3.744 272 1HD2 LEU 629 1HD2 LEU 629 176.197 -11.508 0.688 273 2HD2 LEU 629 2HD2 LEU 629 174.462 -11.809 0.613 274 3HD2 LEU 629 3HD2 LEU 629 175.578 -13.148 0.882 275 H LEU 630 H LEU 630 172.947 -9.028 2.266 276 HA LEU 630 HA LEU 630 170.423 -8.460 1.174 277 1HB LEU 630 1HB LEU 630 171.902 -6.417 0.183 278 2HB LEU 630 2HB LEU 630 171.240 -6.465 1.804 279 HG LEU 630 HG LEU 630 173.936 -7.618 1.396 280 1HD1 LEU 630 1HD1 LEU 630 175.048 -5.505 1.489 281 2HD1 LEU 630 2HD1 LEU 630 173.510 -4.650 1.609 282 3HD1 LEU 630 3HD1 LEU 630 173.942 -5.483 0.114 283 1HD2 LEU 630 1HD2 LEU 630 174.012 -6.052 3.600 284 2HD2 LEU 630 2HD2 LEU 630 173.563 -7.756 3.593 285 3HD2 LEU 630 3HD2 LEU 630 172.311 -6.515 3.559 286 H GLY 631 H GLY 631 173.504 -8.176 -0.637 287 1HA GLY 631 1HA GLY 631 173.037 -9.962 -2.652 288 2HA GLY 631 2HA GLY 631 172.093 -8.560 -3.120 289 H LEU 632 H LEU 632 175.128 -8.226 -1.412 290 HA LEU 632 HA LEU 632 176.564 -7.680 -3.888 291 1HB LEU 632 1HB LEU 632 176.230 -5.484 -3.735 292 2HB LEU 632 2HB LEU 632 175.464 -5.644 -2.170 293 HG LEU 632 HG LEU 632 178.458 -5.593 -2.460 294 1HD1 LEU 632 1HD1 LEU 632 176.504 -3.326 -2.375 295 2HD1 LEU 632 2HD1 LEU 632 177.882 -3.564 -3.450 296 3HD1 LEU 632 3HD1 LEU 632 178.146 -3.149 -1.757 297 1HD2 LEU 632 1HD2 LEU 632 177.980 -4.500 -0.105 298 2HD2 LEU 632 2HD2 LEU 632 178.036 -6.251 -0.309 299 3HD2 LEU 632 3HD2 LEU 632 176.481 -5.420 -0.243 300 H LYS 633 H LYS 633 178.873 -7.575 -3.602 301 HA LYS 633 HA LYS 633 179.770 -8.701 -1.027 302 1HB LYS 633 1HB LYS 633 179.900 -9.948 -3.488 303 2HB LYS 633 2HB LYS 633 181.502 -9.243 -3.330 304 1HG LYS 633 1HG LYS 633 180.973 -10.409 -0.853 305 2HG LYS 633 2HG LYS 633 180.382 -11.562 -2.049 306 1HD LYS 633 1HD LYS 633 183.032 -10.335 -2.551 307 2HD LYS 633 2HD LYS 633 182.925 -11.499 -1.230 308 1HE LYS 633 1HE LYS 633 182.498 -13.248 -2.622 309 2HE LYS 633 2HE LYS 633 181.654 -12.245 -3.801 310 1HZ LYS 633 1HZ LYS 633 184.444 -12.960 -3.655 311 2HZ LYS 633 2HZ LYS 633 184.175 -11.320 -3.963 312 3HZ LYS 633 3HZ LYS 633 183.515 -12.491 -4.989 313 H VAL 634 H VAL 634 181.198 -7.473 0.040 314 HA VAL 634 HA VAL 634 182.625 -5.404 -1.496 315 HB VAL 634 HB VAL 634 181.343 -5.308 1.204 316 1HG1 VAL 634 1HG1 VAL 634 183.627 -4.632 1.665 317 2HG1 VAL 634 2HG1 VAL 634 182.567 -3.221 1.696 318 3HG1 VAL 634 3HG1 VAL 634 183.598 -3.519 0.297 319 1HG2 VAL 634 1HG2 VAL 634 181.092 -4.002 -1.390 320 2HG2 VAL 634 2HG2 VAL 634 181.086 -2.878 -0.031 321 3HG2 VAL 634 3HG2 VAL 634 179.909 -4.191 -0.092 322 H VAL 635 H VAL 635 184.664 -4.731 -0.765 323 HA VAL 635 HA VAL 635 186.121 -6.709 0.847 324 HB VAL 635 HB VAL 635 186.555 -5.934 -1.923 325 1HG1 VAL 635 1HG1 VAL 635 188.898 -5.740 -0.035 326 2HG1 VAL 635 2HG1 VAL 635 188.252 -4.460 -1.061 327 3HG1 VAL 635 3HG1 VAL 635 189.025 -5.868 -1.790 328 1HG2 VAL 635 1HG2 VAL 635 186.272 -8.204 -1.023 329 2HG2 VAL 635 2HG2 VAL 635 187.827 -8.043 -0.208 330 3HG2 VAL 635 3HG2 VAL 635 187.747 -8.011 -1.972 331 H GLY 636 H GLY 636 187.176 -5.845 2.513 332 1HA GLY 636 1HA GLY 636 187.577 -2.926 2.515 333 2HA GLY 636 2HA GLY 636 187.421 -3.927 3.951 334 H GLY 637 H GLY 637 189.461 -2.193 3.899 335 1HA GLY 637 1HA GLY 637 191.711 -2.213 4.426 336 2HA GLY 637 2HA GLY 637 191.735 -3.935 4.079 337 H LYS 638 H LYS 638 190.774 -1.291 1.934 338 HA LYS 638 HA LYS 638 192.953 -2.097 0.123 339 1HB LYS 638 1HB LYS 638 190.355 -0.736 -0.606 340 2HB LYS 638 2HB LYS 638 191.574 -1.338 -1.721 341 1HG LYS 638 1HG LYS 638 190.154 -3.150 0.201 342 2HG LYS 638 2HG LYS 638 189.486 -2.750 -1.381 343 1HD LYS 638 1HD LYS 638 190.748 -4.339 -2.290 344 2HD LYS 638 2HD LYS 638 192.191 -3.463 -1.781 345 1HE LYS 638 1HE LYS 638 191.596 -4.626 0.536 346 2HE LYS 638 2HE LYS 638 190.840 -5.798 -0.543 347 1HZ LYS 638 1HZ LYS 638 192.909 -6.658 -0.530 348 2HZ LYS 638 2HZ LYS 638 193.656 -5.191 -0.142 349 3HZ LYS 638 3HZ LYS 638 193.186 -5.504 -1.736 350 H MET 639 H MET 639 194.571 -0.720 0.689 351 HA MET 639 HA MET 639 194.296 1.960 1.434 352 1HB MET 639 1HB MET 639 196.337 0.625 1.804 353 2HB MET 639 2HB MET 639 196.652 0.638 0.074 354 1HG MET 639 1HG MET 639 197.610 2.635 0.168 355 2HG MET 639 2HG MET 639 196.281 3.311 1.109 356 1HE MET 639 1HE MET 639 195.910 2.268 3.529 357 2HE MET 639 2HE MET 639 196.631 3.832 3.907 358 3HE MET 639 3HE MET 639 197.200 2.378 4.727 359 H THR 640 H THR 640 193.268 3.423 0.222 360 HA THR 640 HA THR 640 193.262 3.353 -2.636 361 HB THR 640 HB THR 640 192.233 5.750 -2.192 362 HG1 THR 640 HG1 THR 640 192.713 5.950 -0.045 363 1HG2 THR 640 1HG2 THR 640 190.997 3.087 -1.714 364 2HG2 THR 640 2HG2 THR 640 190.698 4.258 -2.998 365 3HG2 THR 640 3HG2 THR 640 190.073 4.550 -1.375 366 H ASP 641 H ASP 641 193.600 5.743 -3.646 367 HA ASP 641 HA ASP 641 196.422 6.114 -3.638 368 1HB ASP 641 1HB ASP 641 194.404 6.662 -5.414 369 2HB ASP 641 2HB ASP 641 194.824 8.270 -4.832 370 H LEU 642 H LEU 642 193.870 7.456 -1.783 371 HA LEU 642 HA LEU 642 195.135 9.950 -1.173 372 1HB LEU 642 1HB LEU 642 192.883 8.454 0.166 373 2HB LEU 642 2HB LEU 642 193.418 10.050 0.652 374 HG LEU 642 HG LEU 642 191.483 10.341 -0.696 375 1HD1 LEU 642 1HD1 LEU 642 193.655 10.893 -2.673 376 2HD1 LEU 642 2HD1 LEU 642 193.615 11.748 -1.131 377 3HD1 LEU 642 3HD1 LEU 642 192.253 11.873 -2.244 378 1HD2 LEU 642 1HD2 LEU 642 191.946 8.002 -1.811 379 2HD2 LEU 642 2HD2 LEU 642 192.675 9.001 -3.068 380 3HD2 LEU 642 3HD2 LEU 642 190.982 9.231 -2.630 381 H GLY 643 H GLY 643 195.217 6.722 0.135 382 1HA GLY 643 1HA GLY 643 197.214 6.087 1.374 383 2HA GLY 643 2HA GLY 643 197.158 7.663 2.150 384 H ARG 644 H ARG 644 194.111 6.176 1.763 385 HA ARG 644 HA ARG 644 194.200 5.184 4.535 386 1HB ARG 644 1HB ARG 644 191.956 6.702 3.193 387 2HB ARG 644 2HB ARG 644 191.856 5.964 4.785 388 1HG ARG 644 1HG ARG 644 194.133 7.764 4.467 389 2HG ARG 644 2HG ARG 644 192.566 8.549 4.275 390 1HD ARG 644 1HD ARG 644 191.856 7.554 6.431 391 2HD ARG 644 2HD ARG 644 193.481 6.898 6.627 392 HE ARG 644 HE ARG 644 193.934 9.535 6.272 393 1HH1 ARG 644 1HH1 ARG 644 191.824 7.760 8.413 394 2HH1 ARG 644 2HH1 ARG 644 191.888 8.953 9.667 395 1HH2 ARG 644 1HH2 ARG 644 194.019 11.104 7.922 396 2HH2 ARG 644 2HH2 ARG 644 193.133 10.851 9.389 397 H LEU 645 H LEU 645 192.534 3.569 5.039 398 HA LEU 645 HA LEU 645 192.226 1.724 2.806 399 1HB LEU 645 1HB LEU 645 191.778 1.408 5.772 400 2HB LEU 645 2HB LEU 645 191.476 0.139 4.602 401 HG LEU 645 HG LEU 645 194.147 1.397 5.226 402 1HD1 LEU 645 1HD1 LEU 645 192.973 -0.355 6.775 403 2HD1 LEU 645 2HD1 LEU 645 194.685 -0.512 6.379 404 3HD1 LEU 645 3HD1 LEU 645 193.492 -1.493 5.530 405 1HD2 LEU 645 1HD2 LEU 645 193.209 -0.256 2.973 406 2HD2 LEU 645 2HD2 LEU 645 194.720 -0.765 3.727 407 3HD2 LEU 645 3HD2 LEU 645 194.566 0.866 3.074 408 H GLY 646 H GLY 646 190.245 0.788 2.206 409 1HA GLY 646 1HA GLY 646 187.796 1.868 3.359 410 2HA GLY 646 2HA GLY 646 188.108 2.277 1.679 411 H ALA 647 H ALA 647 186.007 1.146 1.425 412 HA ALA 647 HA ALA 647 186.412 -1.765 1.225 413 1HB ALA 647 1HB ALA 647 184.698 -1.770 2.699 414 2HB ALA 647 2HB ALA 647 183.740 -1.599 1.227 415 3HB ALA 647 3HB ALA 647 184.123 -0.179 2.201 416 H PHE 648 H PHE 648 185.776 -2.818 -0.671 417 HA PHE 648 HA PHE 648 184.708 -1.119 -2.820 418 1HB PHE 648 1HB PHE 648 187.214 -2.783 -2.886 419 2HB PHE 648 2HB PHE 648 186.323 -2.431 -4.364 420 HD1 PHE 648 HD1 PHE 648 186.240 -0.188 -5.262 421 HD2 PHE 648 HD2 PHE 648 188.398 -1.046 -1.698 422 HE1 PHE 648 HE1 PHE 648 187.386 1.982 -5.439 423 HE2 PHE 648 HE2 PHE 648 189.549 1.122 -1.867 424 HZ PHE 648 HZ PHE 648 189.043 2.640 -3.739 425 H ILE 649 H ILE 649 183.164 -2.071 -4.034 426 HA ILE 649 HA ILE 649 182.162 -4.619 -3.224 427 HB ILE 649 HB ILE 649 181.337 -2.886 -5.556 428 1HG1 ILE 649 1HG1 ILE 649 179.897 -3.168 -2.926 429 2HG1 ILE 649 2HG1 ILE 649 181.177 -1.978 -3.142 430 1HG2 ILE 649 1HG2 ILE 649 180.647 -5.541 -4.997 431 2HG2 ILE 649 2HG2 ILE 649 179.867 -4.446 -6.137 432 3HG2 ILE 649 3HG2 ILE 649 179.266 -4.571 -4.484 433 1HD1 ILE 649 1HD1 ILE 649 178.555 -1.527 -3.612 434 2HD1 ILE 649 2HD1 ILE 649 179.121 -1.953 -5.227 435 3HD1 ILE 649 3HD1 ILE 649 179.874 -0.621 -4.351 436 H THR 650 H THR 650 182.850 -6.527 -3.899 437 HA THR 650 HA THR 650 184.555 -6.744 -6.220 438 HB THR 650 HB THR 650 185.085 -8.902 -5.486 439 HG1 THR 650 HG1 THR 650 183.081 -9.821 -5.301 440 1HG2 THR 650 1HG2 THR 650 184.322 -7.483 -2.945 441 2HG2 THR 650 2HG2 THR 650 185.829 -7.258 -3.835 442 3HG2 THR 650 3HG2 THR 650 185.461 -8.820 -3.102 443 H LYS 651 H LYS 651 181.250 -7.524 -5.355 444 HA LYS 651 HA LYS 651 180.527 -7.821 -8.096 445 1HB LYS 651 1HB LYS 651 179.898 -10.124 -8.146 446 2HB LYS 651 2HB LYS 651 181.571 -10.045 -7.609 447 1HG LYS 651 1HG LYS 651 180.975 -10.530 -5.374 448 2HG LYS 651 2HG LYS 651 179.261 -10.267 -5.701 449 1HD LYS 651 1HD LYS 651 180.831 -12.408 -7.105 450 2HD LYS 651 2HD LYS 651 180.080 -12.686 -5.533 451 1HE LYS 651 1HE LYS 651 177.901 -12.160 -6.437 452 2HE LYS 651 2HE LYS 651 178.616 -11.740 -7.993 453 1HZ LYS 651 1HZ LYS 651 179.453 -14.101 -8.048 454 2HZ LYS 651 2HZ LYS 651 177.782 -13.906 -8.224 455 3HZ LYS 651 3HZ LYS 651 178.421 -14.416 -6.744 456 H VAL 652 H VAL 652 178.282 -7.995 -8.436 457 HA VAL 652 HA VAL 652 176.617 -7.595 -6.036 458 HB VAL 652 HB VAL 652 175.268 -6.226 -8.029 459 1HG1 VAL 652 1HG1 VAL 652 175.617 -5.683 -5.592 460 2HG1 VAL 652 2HG1 VAL 652 175.606 -4.307 -6.697 461 3HG1 VAL 652 3HG1 VAL 652 177.137 -4.925 -6.068 462 1HG2 VAL 652 1HG2 VAL 652 177.526 -6.394 -9.278 463 2HG2 VAL 652 2HG2 VAL 652 178.062 -5.162 -8.136 464 3HG2 VAL 652 3HG2 VAL 652 176.700 -4.837 -9.209 465 H LYS 653 H LYS 653 174.776 -8.755 -5.945 466 HA LYS 653 HA LYS 653 174.327 -10.759 -7.959 467 1HB LYS 653 1HB LYS 653 174.040 -11.020 -5.420 468 2HB LYS 653 2HB LYS 653 172.511 -10.179 -5.630 469 1HG LYS 653 1HG LYS 653 171.656 -11.906 -7.020 470 2HG LYS 653 2HG LYS 653 173.236 -12.685 -7.122 471 1HD LYS 653 1HD LYS 653 171.733 -12.317 -4.538 472 2HD LYS 653 2HD LYS 653 171.592 -13.761 -5.544 473 1HE LYS 653 1HE LYS 653 173.612 -14.540 -4.927 474 2HE LYS 653 2HE LYS 653 174.346 -12.937 -4.942 475 1HZ LYS 653 1HZ LYS 653 172.730 -12.760 -2.820 476 2HZ LYS 653 2HZ LYS 653 174.355 -13.220 -2.731 477 3HZ LYS 653 3HZ LYS 653 173.144 -14.399 -2.753 478 H LYS 654 H LYS 654 173.391 -10.169 -9.809 479 HA LYS 654 HA LYS 654 171.678 -7.957 -10.130 480 1HB LYS 654 1HB LYS 654 171.234 -8.880 -12.373 481 2HB LYS 654 2HB LYS 654 172.951 -8.856 -11.992 482 1HG LYS 654 1HG LYS 654 172.195 -11.350 -11.150 483 2HG LYS 654 2HG LYS 654 171.192 -11.102 -12.581 484 1HD LYS 654 1HD LYS 654 173.009 -11.862 -13.677 485 2HD LYS 654 2HD LYS 654 173.581 -10.204 -13.481 486 1HE LYS 654 1HE LYS 654 174.199 -11.637 -11.107 487 2HE LYS 654 2HE LYS 654 174.720 -12.610 -12.482 488 1HZ LYS 654 1HZ LYS 654 176.306 -11.134 -13.038 489 2HZ LYS 654 2HZ LYS 654 176.190 -10.674 -11.414 490 3HZ LYS 654 3HZ LYS 654 175.381 -9.785 -12.603 491 H GLY 655 H GLY 655 169.823 -7.872 -8.988 492 1HA GLY 655 1HA GLY 655 167.441 -8.614 -9.456 493 2HA GLY 655 2HA GLY 655 168.043 -10.226 -9.092 494 H SER 656 H SER 656 169.824 -9.113 -6.973 495 HA SER 656 HA SER 656 168.013 -9.396 -4.799 496 1HB SER 656 1HB SER 656 170.913 -8.533 -4.872 497 2HB SER 656 2HB SER 656 170.011 -8.868 -3.395 498 HG SER 656 HG SER 656 170.619 -10.849 -3.717 499 H LEU 657 H LEU 657 168.466 -7.644 -2.901 500 HA LEU 657 HA LEU 657 167.093 -5.316 -3.780 501 1HB LEU 657 1HB LEU 657 168.348 -4.972 -1.197 502 2HB LEU 657 2HB LEU 657 166.654 -4.971 -1.622 503 HG LEU 657 HG LEU 657 167.030 -7.595 -1.675 504 1HD1 LEU 657 1HD1 LEU 657 169.061 -6.666 0.352 505 2HD1 LEU 657 2HD1 LEU 657 169.459 -7.368 -1.215 506 3HD1 LEU 657 3HD1 LEU 657 168.607 -8.331 -0.009 507 1HD2 LEU 657 1HD2 LEU 657 165.381 -6.759 -0.276 508 2HD2 LEU 657 2HD2 LEU 657 166.518 -5.763 0.633 509 3HD2 LEU 657 3HD2 LEU 657 166.507 -7.513 0.851 510 H ALA 658 H ALA 658 170.400 -5.920 -2.696 511 HA ALA 658 HA ALA 658 171.461 -3.398 -2.677 512 1HB ALA 658 1HB ALA 658 173.489 -4.400 -2.620 513 2HB ALA 658 2HB ALA 658 173.138 -5.439 -4.001 514 3HB ALA 658 3HB ALA 658 172.510 -5.850 -2.405 515 H ASP 659 H ASP 659 170.624 -5.341 -5.461 516 HA ASP 659 HA ASP 659 171.885 -3.533 -7.325 517 1HB ASP 659 1HB ASP 659 171.241 -6.188 -7.435 518 2HB ASP 659 2HB ASP 659 169.952 -5.471 -8.396 519 H VAL 660 H VAL 660 168.545 -4.502 -6.618 520 HA VAL 660 HA VAL 660 167.424 -2.545 -8.362 521 HB VAL 660 HB VAL 660 165.260 -3.113 -7.062 522 1HG1 VAL 660 1HG1 VAL 660 165.619 -5.589 -8.203 523 2HG1 VAL 660 2HG1 VAL 660 166.792 -4.585 -9.053 524 3HG1 VAL 660 3HG1 VAL 660 165.090 -4.131 -9.041 525 1HG2 VAL 660 1HG2 VAL 660 165.369 -4.495 -5.327 526 2HG2 VAL 660 2HG2 VAL 660 167.127 -4.478 -5.453 527 3HG2 VAL 660 3HG2 VAL 660 166.195 -5.709 -6.304 528 H VAL 661 H VAL 661 167.413 -2.766 -4.774 529 HA VAL 661 HA VAL 661 166.430 -0.063 -4.584 530 HB VAL 661 HB VAL 661 165.748 -1.767 -2.935 531 1HG1 VAL 661 1HG1 VAL 661 168.667 -1.891 -2.456 532 2HG1 VAL 661 2HG1 VAL 661 167.447 -3.161 -2.391 533 3HG1 VAL 661 3HG1 VAL 661 167.606 -2.024 -1.054 534 1HG2 VAL 661 1HG2 VAL 661 165.360 0.333 -2.102 535 2HG2 VAL 661 2HG2 VAL 661 167.068 0.774 -2.116 536 3HG2 VAL 661 3HG2 VAL 661 166.447 -0.308 -0.869 537 H GLY 662 H GLY 662 169.523 -1.681 -4.333 538 1HA GLY 662 1HA GLY 662 170.850 0.680 -3.281 539 2HA GLY 662 2HA GLY 662 171.615 -0.844 -3.713 540 H HIS 663 H HIS 663 171.116 -1.256 -6.253 541 HA HIS 663 HA HIS 663 171.622 -0.698 -8.391 542 1HB HIS 663 1HB HIS 663 170.007 1.298 -7.606 543 2HB HIS 663 2HB HIS 663 171.467 2.226 -7.929 544 HD1 HIS 663 HD1 HIS 663 169.383 3.009 -9.755 545 HD2 HIS 663 HD2 HIS 663 171.630 -0.408 -10.494 546 HE1 HIS 663 HE1 HIS 663 169.146 2.569 -12.219 547 HE2 HIS 663 HE2 HIS 663 170.446 0.449 -12.628 548 H LEU 664 H LEU 664 173.818 -1.354 -7.206 549 HA LEU 664 HA LEU 664 175.734 0.688 -8.075 550 1HB LEU 664 1HB LEU 664 177.221 -0.364 -6.152 551 2HB LEU 664 2HB LEU 664 176.174 1.010 -5.872 552 HG LEU 664 HG LEU 664 176.119 -0.734 -4.089 553 1HD1 LEU 664 1HD1 LEU 664 173.933 0.601 -5.366 554 2HD1 LEU 664 2HD1 LEU 664 174.190 0.257 -3.656 555 3HD1 LEU 664 3HD1 LEU 664 173.387 -0.930 -4.683 556 1HD2 LEU 664 1HD2 LEU 664 174.350 -2.451 -5.693 557 2HD2 LEU 664 2HD2 LEU 664 175.524 -2.871 -4.446 558 3HD2 LEU 664 3HD2 LEU 664 176.067 -2.531 -6.090 559 H ARG 665 H ARG 665 178.046 -0.470 -8.071 560 HA ARG 665 HA ARG 665 177.756 -3.194 -9.093 561 1HB ARG 665 1HB ARG 665 179.336 -2.479 -11.002 562 2HB ARG 665 2HB ARG 665 177.627 -2.088 -11.137 563 1HG ARG 665 1HG ARG 665 178.641 0.129 -9.887 564 2HG ARG 665 2HG ARG 665 179.949 -0.334 -10.974 565 1HD ARG 665 1HD ARG 665 178.816 0.790 -12.539 566 2HD ARG 665 2HD ARG 665 177.738 -0.604 -12.567 567 HE ARG 665 HE ARG 665 176.116 0.727 -11.690 568 1HH1 ARG 665 1HH1 ARG 665 179.211 2.129 -10.895 569 2HH1 ARG 665 2HH1 ARG 665 178.524 3.531 -10.145 570 1HH2 ARG 665 1HH2 ARG 665 175.211 2.569 -10.704 571 2HH2 ARG 665 2HH2 ARG 665 176.253 3.781 -10.036 572 H ALA 666 H ALA 666 179.837 -4.284 -9.424 573 HA ALA 666 HA ALA 666 181.489 -4.066 -7.177 574 1HB ALA 666 1HB ALA 666 182.289 -5.342 -9.781 575 2HB ALA 666 2HB ALA 666 181.163 -6.087 -8.645 576 3HB ALA 666 3HB ALA 666 182.825 -5.759 -8.153 577 H GLY 667 H GLY 667 183.001 -2.650 -6.695 578 1HA GLY 667 1HA GLY 667 185.202 -1.754 -7.545 579 2HA GLY 667 2HA GLY 667 184.260 -1.137 -8.897 580 H ASP 668 H ASP 668 181.989 -0.597 -6.993 581 HA ASP 668 HA ASP 668 182.530 2.122 -6.508 582 1HB ASP 668 1HB ASP 668 180.323 0.281 -6.097 583 2HB ASP 668 2HB ASP 668 180.472 1.408 -4.752 584 H GLU 669 H GLU 669 183.065 3.247 -4.655 585 HA GLU 669 HA GLU 669 184.335 1.628 -2.567 586 1HB GLU 669 1HB GLU 669 185.630 3.403 -3.831 587 2HB GLU 669 2HB GLU 669 184.638 4.596 -3.003 588 1HG GLU 669 1HG GLU 669 185.486 3.917 -0.872 589 2HG GLU 669 2HG GLU 669 186.341 2.556 -1.596 590 H VAL 670 H VAL 670 183.020 1.202 -0.914 591 HA VAL 670 HA VAL 670 181.028 3.161 -0.090 592 HB VAL 670 HB VAL 670 181.538 0.316 0.787 593 1HG1 VAL 670 1HG1 VAL 670 179.174 0.838 1.913 594 2HG1 VAL 670 2HG1 VAL 670 179.892 2.445 2.040 595 3HG1 VAL 670 3HG1 VAL 670 180.700 1.056 2.768 596 1HG2 VAL 670 1HG2 VAL 670 179.571 -0.240 -0.353 597 2HG2 VAL 670 2HG2 VAL 670 180.404 0.873 -1.436 598 3HG2 VAL 670 3HG2 VAL 670 179.049 1.442 -0.458 599 H LEU 671 H LEU 671 182.014 4.780 1.008 600 HA LEU 671 HA LEU 671 184.084 4.248 2.945 601 1HB LEU 671 1HB LEU 671 182.676 6.873 2.691 602 2HB LEU 671 2HB LEU 671 184.354 6.550 3.085 603 HG LEU 671 HG LEU 671 183.198 6.034 0.353 604 1HD1 LEU 671 1HD1 LEU 671 182.916 8.301 0.448 605 2HD1 LEU 671 2HD1 LEU 671 184.576 8.187 -0.139 606 3HD1 LEU 671 3HD1 LEU 671 184.264 8.537 1.562 607 1HD2 LEU 671 1HD2 LEU 671 185.464 5.907 -0.353 608 2HD2 LEU 671 2HD2 LEU 671 185.291 4.867 1.062 609 3HD2 LEU 671 3HD2 LEU 671 186.048 6.454 1.220 610 H GLU 672 H GLU 672 180.848 3.818 3.065 611 HA GLU 672 HA GLU 672 180.819 4.098 5.974 612 1HB GLU 672 1HB GLU 672 178.790 5.301 4.101 613 2HB GLU 672 2HB GLU 672 178.502 5.078 5.821 614 1HG GLU 672 1HG GLU 672 180.715 6.427 6.080 615 2HG GLU 672 2HG GLU 672 180.356 6.957 4.438 616 H TRP 673 H TRP 673 180.030 2.330 6.905 617 HA TRP 673 HA TRP 673 178.077 0.689 5.435 618 1HB TRP 673 1HB TRP 673 180.461 -0.244 5.406 619 2HB TRP 673 2HB TRP 673 180.270 -0.497 7.137 620 HD1 TRP 673 HD1 TRP 673 178.214 -2.228 7.853 621 HE1 TRP 673 HE1 TRP 673 177.386 -4.337 6.633 622 HE3 TRP 673 HE3 TRP 673 180.125 -1.279 3.212 623 HZ2 TRP 673 HZ2 TRP 673 177.538 -5.455 4.038 624 HZ3 TRP 673 HZ3 TRP 673 179.731 -2.912 1.421 625 HH2 TRP 673 HH2 TRP 673 178.462 -4.961 1.826 626 H ASN 674 H ASN 674 176.258 0.777 6.588 627 HA ASN 674 HA ASN 674 174.797 0.608 8.324 628 1HB ASN 674 1HB ASN 674 176.235 -1.383 8.923 629 2HB ASN 674 2HB ASN 674 177.120 -0.324 10.017 630 1HD2 ASN 674 1HD2 ASN 674 173.707 -0.930 9.240 631 2HD2 ASN 674 2HD2 ASN 674 173.193 -1.116 10.879 632 H GLY 675 H GLY 675 176.077 3.054 7.768 633 1HA GLY 675 1HA GLY 675 176.123 5.175 8.648 634 2HA GLY 675 2HA GLY 675 175.391 4.516 10.100 635 H LYS 676 H LYS 676 178.374 3.099 9.087 636 HA LYS 676 HA LYS 676 179.754 4.581 11.231 637 1HB LYS 676 1HB LYS 676 180.248 2.591 12.116 638 2HB LYS 676 2HB LYS 676 179.433 1.775 10.794 639 1HG LYS 676 1HG LYS 676 181.395 0.908 10.222 640 2HG LYS 676 2HG LYS 676 181.931 2.522 9.742 641 1HD LYS 676 1HD LYS 676 183.485 1.438 11.319 642 2HD LYS 676 2HD LYS 676 182.796 2.921 11.975 643 1HE LYS 676 1HE LYS 676 181.610 1.828 13.575 644 2HE LYS 676 2HE LYS 676 181.362 0.402 12.569 645 1HZ LYS 676 1HZ LYS 676 183.447 0.967 14.471 646 2HZ LYS 676 2HZ LYS 676 184.030 0.379 12.995 647 3HZ LYS 676 3HZ LYS 676 182.900 -0.520 13.876 648 HA PRO 677 HA PRO 677 182.618 5.813 8.088 649 1HB PRO 677 1HB PRO 677 184.617 6.758 9.601 650 2HB PRO 677 2HB PRO 677 183.050 7.577 9.544 651 1HG PRO 677 1HG PRO 677 184.160 5.750 11.635 652 2HG PRO 677 2HG PRO 677 183.217 7.237 11.833 653 1HD PRO 677 1HD PRO 677 182.171 4.685 11.981 654 2HD PRO 677 2HD PRO 677 181.228 6.140 11.605 655 H LEU 678 H LEU 678 183.658 4.357 6.934 656 HA LEU 678 HA LEU 678 185.226 2.254 8.167 657 1HB LEU 678 1HB LEU 678 184.684 2.727 5.241 658 2HB LEU 678 2HB LEU 678 185.313 1.261 5.970 659 HG LEU 678 HG LEU 678 182.568 2.362 6.554 660 1HD1 LEU 678 1HD1 LEU 678 183.514 1.056 4.200 661 2HD1 LEU 678 2HD1 LEU 678 181.880 1.589 4.598 662 3HD1 LEU 678 3HD1 LEU 678 182.417 -0.025 5.062 663 1HD2 LEU 678 1HD2 LEU 678 184.166 0.138 7.567 664 2HD2 LEU 678 2HD2 LEU 678 182.564 -0.343 7.006 665 3HD2 LEU 678 3HD2 LEU 678 182.726 0.906 8.242 666 HA PRO 679 HA PRO 679 188.371 4.784 5.113 667 1HB PRO 679 1HB PRO 679 187.602 7.251 6.639 668 2HB PRO 679 2HB PRO 679 188.285 7.106 5.014 669 1HG PRO 679 1HG PRO 679 185.682 7.532 5.341 670 2HG PRO 679 2HG PRO 679 186.268 6.428 4.081 671 1HD PRO 679 1HD PRO 679 184.926 5.821 6.655 672 2HD PRO 679 2HD PRO 679 184.924 4.902 5.137 673 H GLY 680 H GLY 680 190.175 4.049 5.995 674 1HA GLY 680 1HA GLY 680 192.049 4.461 7.447 675 2HA GLY 680 2HA GLY 680 190.920 4.996 8.683 676 H ALA 681 H ALA 681 189.227 2.538 7.821 677 HA ALA 681 HA ALA 681 190.499 0.733 9.724 678 1HB ALA 681 1HB ALA 681 188.082 -0.381 8.818 679 2HB ALA 681 2HB ALA 681 187.800 1.352 8.987 680 3HB ALA 681 3HB ALA 681 188.396 0.417 10.358 681 H THR 682 H THR 682 191.171 -1.323 9.263 682 HA THR 682 HA THR 682 191.673 -1.884 6.452 683 HB THR 682 HB THR 682 193.589 -2.142 7.826 684 HG1 THR 682 HG1 THR 682 192.792 -4.824 7.684 685 1HG2 THR 682 1HG2 THR 682 191.773 -3.578 9.690 686 2HG2 THR 682 2HG2 THR 682 192.969 -2.324 10.017 687 3HG2 THR 682 3HG2 THR 682 193.492 -3.972 9.666 688 H ASN 683 H ASN 683 191.696 -4.460 6.090 689 HA ASN 683 HA ASN 683 189.097 -5.244 5.675 690 1HB ASN 683 1HB ASN 683 190.000 -7.560 5.445 691 2HB ASN 683 2HB ASN 683 190.918 -6.352 4.551 692 1HD2 ASN 683 1HD2 ASN 683 191.026 -8.806 6.869 693 2HD2 ASN 683 2HD2 ASN 683 192.670 -8.609 7.358 694 H GLU 684 H GLU 684 191.151 -5.995 8.469 695 HA GLU 684 HA GLU 684 189.316 -7.715 9.740 696 1HB GLU 684 1HB GLU 684 190.656 -7.207 11.812 697 2HB GLU 684 2HB GLU 684 191.590 -7.796 10.444 698 1HG GLU 684 1HG GLU 684 192.416 -5.622 9.966 699 2HG GLU 684 2HG GLU 684 191.304 -4.882 11.116 700 H GLU 685 H GLU 685 189.818 -4.228 9.954 701 HA GLU 685 HA GLU 685 188.040 -3.750 12.083 702 1HB GLU 685 1HB GLU 685 189.346 -2.134 9.986 703 2HB GLU 685 2HB GLU 685 187.837 -1.473 10.600 704 1HG GLU 685 1HG GLU 685 188.967 -0.625 12.296 705 2HG GLU 685 2HG GLU 685 189.269 -2.269 12.859 706 H VAL 686 H VAL 686 187.539 -3.316 8.586 707 HA VAL 686 HA VAL 686 184.854 -2.789 8.536 708 HB VAL 686 HB VAL 686 186.415 -4.481 6.580 709 1HG1 VAL 686 1HG1 VAL 686 183.927 -4.719 6.431 710 2HG1 VAL 686 2HG1 VAL 686 184.701 -4.089 4.979 711 3HG1 VAL 686 3HG1 VAL 686 183.848 -2.996 6.068 712 1HG2 VAL 686 1HG2 VAL 686 187.179 -2.592 5.618 713 2HG2 VAL 686 2HG2 VAL 686 186.892 -1.904 7.216 714 3HG2 VAL 686 3HG2 VAL 686 185.692 -1.700 5.939 715 H TYR 687 H TYR 687 186.424 -5.961 8.657 716 HA TYR 687 HA TYR 687 184.275 -7.640 8.365 717 1HB TYR 687 1HB TYR 687 186.622 -7.928 10.247 718 2HB TYR 687 2HB TYR 687 185.492 -9.224 9.886 719 HD1 TYR 687 HD1 TYR 687 185.465 -7.902 6.847 720 HD2 TYR 687 HD2 TYR 687 188.328 -9.639 9.471 721 HE1 TYR 687 HE1 TYR 687 186.836 -8.548 4.913 722 HE2 TYR 687 HE2 TYR 687 189.707 -10.288 7.544 723 HH TYR 687 HH TYR 687 189.104 -9.123 4.373 724 H ASN 688 H ASN 688 185.328 -6.001 11.313 725 HA ASN 688 HA ASN 688 183.314 -7.120 12.977 726 1HB ASN 688 1HB ASN 688 185.277 -4.883 13.224 727 2HB ASN 688 2HB ASN 688 183.947 -4.964 14.374 728 1HD2 ASN 688 1HD2 ASN 688 186.786 -6.580 13.155 729 2HD2 ASN 688 2HD2 ASN 688 186.996 -7.645 14.498 730 H ILE 689 H ILE 689 183.520 -4.223 11.004 731 HA ILE 689 HA ILE 689 181.201 -2.947 12.011 732 HB ILE 689 HB ILE 689 182.756 -2.650 9.451 733 1HG1 ILE 689 1HG1 ILE 689 182.939 -0.281 10.568 734 2HG1 ILE 689 2HG1 ILE 689 182.474 -1.151 12.026 735 1HG2 ILE 689 1HG2 ILE 689 181.369 -0.634 8.982 736 2HG2 ILE 689 2HG2 ILE 689 180.255 -1.164 10.242 737 3HG2 ILE 689 3HG2 ILE 689 180.499 -2.158 8.806 738 1HD1 ILE 689 1HD1 ILE 689 184.952 -0.817 11.589 739 2HD1 ILE 689 2HD1 ILE 689 184.775 -2.035 10.326 740 3HD1 ILE 689 3HD1 ILE 689 184.416 -2.446 12.003 741 H ILE 690 H ILE 690 181.628 -4.465 8.808 742 HA ILE 690 HA ILE 690 178.971 -4.552 8.082 743 HB ILE 690 HB ILE 690 181.089 -6.577 7.365 744 1HG1 ILE 690 1HG1 ILE 690 180.389 -3.848 6.318 745 2HG1 ILE 690 2HG1 ILE 690 181.970 -4.502 6.724 746 1HG2 ILE 690 1HG2 ILE 690 178.502 -5.864 5.982 747 2HG2 ILE 690 2HG2 ILE 690 178.852 -7.371 6.826 748 3HG2 ILE 690 3HG2 ILE 690 179.730 -6.962 5.352 749 1HD1 ILE 690 1HD1 ILE 690 181.152 -6.122 4.668 750 2HD1 ILE 690 2HD1 ILE 690 182.237 -4.739 4.532 751 3HD1 ILE 690 3HD1 ILE 690 180.517 -4.543 4.211 752 H LEU 691 H LEU 691 180.817 -7.221 9.591 753 HA LEU 691 HA LEU 691 178.838 -9.098 9.797 754 1HB LEU 691 1HB LEU 691 181.142 -8.414 11.574 755 2HB LEU 691 2HB LEU 691 180.023 -9.673 12.050 756 HG LEU 691 HG LEU 691 180.713 -11.116 10.400 757 1HD1 LEU 691 1HD1 LEU 691 181.804 -10.474 8.321 758 2HD1 LEU 691 2HD1 LEU 691 181.796 -8.784 8.825 759 3HD1 LEU 691 3HD1 LEU 691 180.273 -9.620 8.517 760 1HD2 LEU 691 1HD2 LEU 691 182.679 -11.299 11.436 761 2HD2 LEU 691 2HD2 LEU 691 182.849 -9.550 11.601 762 3HD2 LEU 691 3HD2 LEU 691 183.338 -10.347 10.105 763 H GLU 692 H GLU 692 179.546 -6.541 12.133 764 HA GLU 692 HA GLU 692 177.502 -7.144 13.954 765 1HB GLU 692 1HB GLU 692 179.101 -4.688 13.344 766 2HB GLU 692 2HB GLU 692 177.736 -4.575 14.447 767 1HG GLU 692 1HG GLU 692 178.813 -6.504 15.713 768 2HG GLU 692 2HG GLU 692 180.252 -6.175 14.748 769 H SER 693 H SER 693 177.435 -5.547 10.884 770 HA SER 693 HA SER 693 174.744 -4.508 11.355 771 1HB SER 693 1HB SER 693 176.110 -4.177 8.727 772 2HB SER 693 2HB SER 693 175.090 -3.047 9.616 773 HG SER 693 HG SER 693 176.840 -2.737 11.062 774 H LYS 694 H LYS 694 176.250 -7.254 10.020 775 HA LYS 694 HA LYS 694 174.402 -7.815 7.939 776 1HB LYS 694 1HB LYS 694 175.422 -9.944 7.780 777 2HB LYS 694 2HB LYS 694 176.706 -8.830 8.223 778 1HG LYS 694 1HG LYS 694 177.202 -10.069 9.983 779 2HG LYS 694 2HG LYS 694 175.566 -9.878 10.611 780 1HD LYS 694 1HD LYS 694 174.953 -11.939 9.960 781 2HD LYS 694 2HD LYS 694 175.785 -11.798 8.411 782 1HE LYS 694 1HE LYS 694 177.939 -12.045 9.838 783 2HE LYS 694 2HE LYS 694 176.848 -12.703 11.057 784 1HZ LYS 694 1HZ LYS 694 177.734 -14.482 9.749 785 2HZ LYS 694 2HZ LYS 694 177.260 -13.740 8.305 786 3HZ LYS 694 3HZ LYS 694 176.091 -14.323 9.379 787 H SER 695 H SER 695 174.323 -8.224 11.372 788 HA SER 695 HA SER 695 172.165 -10.147 11.326 789 1HB SER 695 1HB SER 695 173.182 -8.577 13.701 790 2HB SER 695 2HB SER 695 172.276 -10.090 13.721 791 HG SER 695 HG SER 695 174.968 -9.630 13.206 792 H GLU 696 H GLU 696 172.522 -6.710 11.384 793 HA GLU 696 HA GLU 696 170.012 -6.067 12.536 794 1HB GLU 696 1HB GLU 696 172.146 -4.616 11.086 795 2HB GLU 696 2HB GLU 696 170.543 -3.898 11.021 796 1HG GLU 696 1HG GLU 696 170.967 -4.610 13.699 797 2HG GLU 696 2HG GLU 696 172.465 -3.865 13.141 798 HA PRO 697 HA PRO 697 167.260 -7.145 9.232 799 1HB PRO 697 1HB PRO 697 165.656 -4.831 10.164 800 2HB PRO 697 2HB PRO 697 165.190 -6.525 9.984 801 1HG PRO 697 1HG PRO 697 165.599 -5.463 12.397 802 2HG PRO 697 2HG PRO 697 166.088 -7.128 12.030 803 1HD PRO 697 1HD PRO 697 167.763 -4.658 12.234 804 2HD PRO 697 2HD PRO 697 168.123 -6.314 12.765 805 H GLN 698 H GLN 698 168.684 -4.012 9.599 806 HA GLN 698 HA GLN 698 168.279 -3.539 6.734 807 1HB GLN 698 1HB GLN 698 166.624 -2.219 8.134 808 2HB GLN 698 2HB GLN 698 168.000 -1.328 8.766 809 1HG GLN 698 1HG GLN 698 168.525 -0.459 6.614 810 2HG GLN 698 2HG GLN 698 167.352 -1.521 5.838 811 1HE2 GLN 698 1HE2 GLN 698 167.574 1.030 8.285 812 2HE2 GLN 698 2HE2 GLN 698 166.066 1.776 7.896 813 H VAL 699 H VAL 699 169.803 -2.043 5.794 814 HA VAL 699 HA VAL 699 172.240 -1.586 7.366 815 HB VAL 699 HB VAL 699 172.075 -2.981 4.693 816 1HG1 VAL 699 1HG1 VAL 699 174.592 -1.962 6.010 817 2HG1 VAL 699 2HG1 VAL 699 173.818 -1.214 4.610 818 3HG1 VAL 699 3HG1 VAL 699 174.471 -2.849 4.490 819 1HG2 VAL 699 1HG2 VAL 699 172.765 -4.846 5.755 820 2HG2 VAL 699 2HG2 VAL 699 172.076 -4.043 7.165 821 3HG2 VAL 699 3HG2 VAL 699 173.812 -3.958 6.864 822 H GLU 700 H GLU 700 173.386 0.236 6.818 823 HA GLU 700 HA GLU 700 172.272 1.910 4.662 824 1HB GLU 700 1HB GLU 700 171.755 2.618 7.090 825 2HB GLU 700 2HB GLU 700 173.458 3.042 7.188 826 1HG GLU 700 1HG GLU 700 172.538 4.221 4.833 827 2HG GLU 700 2HG GLU 700 171.270 4.496 6.026 828 H ILE 701 H ILE 701 173.770 1.914 3.089 829 HA ILE 701 HA ILE 701 176.581 2.281 3.895 830 HB ILE 701 HB ILE 701 176.987 1.170 1.542 831 1HG1 ILE 701 1HG1 ILE 701 174.297 0.073 2.389 832 2HG1 ILE 701 2HG1 ILE 701 174.673 0.915 0.889 833 1HG2 ILE 701 1HG2 ILE 701 176.377 -0.249 4.121 834 2HG2 ILE 701 2HG2 ILE 701 177.944 0.281 3.511 835 3HG2 ILE 701 3HG2 ILE 701 177.098 -1.052 2.727 836 1HD1 ILE 701 1HD1 ILE 701 174.420 -1.601 0.771 837 2HD1 ILE 701 2HD1 ILE 701 175.963 -1.687 1.627 838 3HD1 ILE 701 3HD1 ILE 701 175.873 -0.911 0.044 839 H ILE 702 H ILE 702 177.800 3.747 2.846 840 HA ILE 702 HA ILE 702 176.470 5.364 0.770 841 HB ILE 702 HB ILE 702 178.588 6.461 2.596 842 1HG1 ILE 702 1HG1 ILE 702 176.894 5.672 4.118 843 2HG1 ILE 702 2HG1 ILE 702 176.736 7.420 3.982 844 1HG2 ILE 702 1HG2 ILE 702 177.468 7.484 0.365 845 2HG2 ILE 702 2HG2 ILE 702 178.129 8.456 1.678 846 3HG2 ILE 702 3HG2 ILE 702 176.397 8.141 1.601 847 1HD1 ILE 702 1HD1 ILE 702 175.077 5.756 2.179 848 2HD1 ILE 702 2HD1 ILE 702 174.716 7.292 2.966 849 3HD1 ILE 702 3HD1 ILE 702 174.656 5.792 3.890 850 H VAL 703 H VAL 703 177.735 6.086 -0.964 851 HA VAL 703 HA VAL 703 180.450 4.955 -1.123 852 HB VAL 703 HB VAL 703 179.997 4.557 -3.580 853 1HG1 VAL 703 1HG1 VAL 703 180.141 2.762 -1.917 854 2HG1 VAL 703 2HG1 VAL 703 178.985 2.385 -3.195 855 3HG1 VAL 703 3HG1 VAL 703 178.410 2.913 -1.613 856 1HG2 VAL 703 1HG2 VAL 703 177.981 5.905 -3.791 857 2HG2 VAL 703 2HG2 VAL 703 177.135 4.843 -2.666 858 3HG2 VAL 703 3HG2 VAL 703 177.655 4.230 -4.236 859 H SER 704 H SER 704 181.480 5.836 -3.301 860 HA SER 704 HA SER 704 180.801 8.630 -3.762 861 1HB SER 704 1HB SER 704 182.300 8.992 -1.978 862 2HB SER 704 2HB SER 704 183.383 7.708 -2.516 863 HG SER 704 HG SER 704 182.893 10.024 -4.063 864 H ARG 705 H ARG 705 180.985 9.089 -5.853 865 HA ARG 705 HA ARG 705 182.429 7.213 -7.572 866 1HB ARG 705 1HB ARG 705 180.086 7.683 -8.128 867 2HB ARG 705 2HB ARG 705 180.457 9.396 -8.273 868 1HG ARG 705 1HG ARG 705 180.620 8.903 -10.456 869 2HG ARG 705 2HG ARG 705 182.245 8.377 -10.009 870 1HD ARG 705 1HD ARG 705 180.922 6.122 -9.482 871 2HD ARG 705 2HD ARG 705 179.851 6.779 -10.719 872 HE ARG 705 HE ARG 705 182.403 5.609 -11.131 873 1HH1 ARG 705 1HH1 ARG 705 180.314 8.149 -12.300 874 2HH1 ARG 705 2HH1 ARG 705 180.992 8.144 -13.895 875 1HH2 ARG 705 1HH2 ARG 705 183.294 5.600 -13.226 876 2HH2 ARG 705 2HH2 ARG 705 182.683 6.696 -14.420 877 H GLU 943 H GLU 943 189.465 -12.740 -4.162 878 HA GLU 943 HA GLU 943 190.878 -12.531 -2.120 879 1HB GLU 943 1HB GLU 943 192.729 -11.381 -3.248 880 2HB GLU 943 2HB GLU 943 191.665 -10.038 -3.643 881 1HG GLU 943 1HG GLU 943 192.811 -9.252 -1.807 882 2HG GLU 943 2HG GLU 943 191.321 -9.865 -1.091 883 H GLU 944 H GLU 944 188.503 -12.674 -1.889 884 HA GLU 944 HA GLU 944 186.958 -10.253 -2.055 885 1HB GLU 944 1HB GLU 944 185.134 -11.588 -1.153 886 2HB GLU 944 2HB GLU 944 185.941 -12.461 -2.449 887 1HG GLU 944 1HG GLU 944 187.283 -13.585 -0.566 888 2HG GLU 944 2HG GLU 944 186.016 -12.974 0.496 889 H GLY 945 H GLY 945 185.502 -9.864 0.042 890 1HA GLY 945 1HA GLY 945 187.338 -9.704 2.350 891 2HA GLY 945 2HA GLY 945 186.365 -8.331 1.850 892 H ILE 946 H ILE 946 183.911 -9.019 1.597 893 HA ILE 946 HA ILE 946 183.111 -10.873 3.697 894 HB ILE 946 HB ILE 946 181.762 -8.217 3.794 895 1HG1 ILE 946 1HG1 ILE 946 184.372 -8.780 5.230 896 2HG1 ILE 946 2HG1 ILE 946 184.206 -7.704 3.843 897 1HG2 ILE 946 1HG2 ILE 946 180.762 -9.270 5.470 898 2HG2 ILE 946 2HG2 ILE 946 182.296 -9.275 6.342 899 3HG2 ILE 946 3HG2 ILE 946 181.858 -10.645 5.321 900 1HD1 ILE 946 1HD1 ILE 946 183.506 -6.043 5.117 901 2HD1 ILE 946 2HD1 ILE 946 183.968 -7.021 6.508 902 3HD1 ILE 946 3HD1 ILE 946 182.311 -7.063 5.913 903 H TRP 947 H TRP 947 180.852 -11.349 3.708 904 HA TRP 947 HA TRP 947 179.669 -11.103 1.037 905 1HB TRP 947 1HB TRP 947 179.688 -13.175 3.088 906 2HB TRP 947 2HB TRP 947 178.057 -12.818 2.527 907 HD1 TRP 947 HD1 TRP 947 180.437 -15.290 1.858 908 HE1 TRP 947 HE1 TRP 947 180.427 -16.101 -0.586 909 HE3 TRP 947 HE3 TRP 947 177.875 -11.415 -0.279 910 HZ2 TRP 947 HZ2 TRP 947 179.464 -15.214 -3.088 911 HZ3 TRP 947 HZ3 TRP 947 177.450 -11.473 -2.701 912 HH2 TRP 947 HH2 TRP 947 178.229 -13.335 -4.075 913 H ALA 948 H ALA 948 178.262 -9.504 0.779 914 HA ALA 948 HA ALA 948 176.381 -8.923 2.958 915 1HB ALA 948 1HB ALA 948 176.678 -6.461 2.305 916 2HB ALA 948 2HB ALA 948 178.184 -6.987 1.548 917 3HB ALA 948 3HB ALA 948 177.938 -7.217 3.280 Start of MODEL 14 1 H HIS 597 H HIS 597 163.676 4.754 2.338 2 HA HIS 597 HA HIS 597 163.954 2.963 1.138 3 1HB HIS 597 1HB HIS 597 161.479 4.087 0.758 4 2HB HIS 597 2HB HIS 597 161.984 3.755 -0.896 5 HD1 HIS 597 HD1 HIS 597 163.330 1.087 -0.680 6 HD2 HIS 597 HD2 HIS 597 159.872 2.021 1.427 7 HE1 HIS 597 HE1 HIS 597 162.258 -1.121 -0.135 8 HE2 HIS 597 HE2 HIS 597 160.122 -0.527 1.061 9 HA PRO 598 HA PRO 598 165.132 4.238 -3.322 10 1HB PRO 598 1HB PRO 598 164.861 6.784 -4.129 11 2HB PRO 598 2HB PRO 598 163.504 5.652 -4.152 12 1HG PRO 598 1HG PRO 598 164.152 7.798 -2.174 13 2HG PRO 598 2HG PRO 598 162.579 7.328 -2.844 14 1HD PRO 598 1HD PRO 598 163.513 6.553 -0.375 15 2HD PRO 598 2HD PRO 598 162.293 5.663 -1.306 16 H VAL 599 H VAL 599 166.978 5.410 -4.373 17 HA VAL 599 HA VAL 599 168.833 6.380 -2.305 18 HB VAL 599 HB VAL 599 169.228 4.691 -4.728 19 1HG1 VAL 599 1HG1 VAL 599 171.683 5.172 -4.643 20 2HG1 VAL 599 2HG1 VAL 599 171.316 6.573 -3.639 21 3HG1 VAL 599 3HG1 VAL 599 170.701 6.488 -5.289 22 1HG2 VAL 599 1HG2 VAL 599 169.321 3.389 -2.860 23 2HG2 VAL 599 2HG2 VAL 599 169.967 4.687 -1.856 24 3HG2 VAL 599 3HG2 VAL 599 171.022 3.838 -2.985 25 H THR 600 H THR 600 170.121 8.165 -2.684 26 HA THR 600 HA THR 600 169.557 9.740 -5.095 27 HB THR 600 HB THR 600 169.655 11.764 -3.426 28 HG1 THR 600 HG1 THR 600 168.683 9.681 -1.768 29 1HG2 THR 600 1HG2 THR 600 167.706 11.331 -4.759 30 2HG2 THR 600 2HG2 THR 600 167.223 11.684 -3.099 31 3HG2 THR 600 3HG2 THR 600 167.224 10.020 -3.683 32 H TRP 601 H TRP 601 171.151 11.346 -5.590 33 HA TRP 601 HA TRP 601 173.733 10.944 -4.237 34 1HB TRP 601 1HB TRP 601 173.329 11.187 -7.225 35 2HB TRP 601 2HB TRP 601 174.875 11.013 -6.399 36 HD1 TRP 601 HD1 TRP 601 171.621 8.996 -6.983 37 HE1 TRP 601 HE1 TRP 601 172.221 6.493 -6.938 38 HE3 TRP 601 HE3 TRP 601 176.570 9.366 -5.745 39 HZ2 TRP 601 HZ2 TRP 601 174.490 4.888 -6.444 40 HZ3 TRP 601 HZ3 TRP 601 177.882 7.298 -5.507 41 HH2 TRP 601 HH2 TRP 601 176.862 5.107 -5.848 42 H GLN 602 H GLN 602 174.590 12.776 -3.524 43 HA GLN 602 HA GLN 602 173.852 15.294 -4.867 44 1HB GLN 602 1HB GLN 602 174.229 16.319 -2.537 45 2HB GLN 602 2HB GLN 602 172.741 15.423 -2.807 46 1HG GLN 602 1HG GLN 602 173.643 13.499 -1.670 47 2HG GLN 602 2HG GLN 602 175.204 14.300 -1.491 48 1HE2 GLN 602 1HE2 GLN 602 172.180 13.742 -0.119 49 2HE2 GLN 602 2HE2 GLN 602 172.287 14.863 1.192 50 HA PRO 603 HA PRO 603 178.053 16.414 -5.512 51 1HB PRO 603 1HB PRO 603 178.180 18.837 -4.100 52 2HB PRO 603 2HB PRO 603 177.731 18.638 -5.795 53 1HG PRO 603 1HG PRO 603 175.990 18.930 -3.393 54 2HG PRO 603 2HG PRO 603 175.751 19.544 -5.039 55 1HD PRO 603 1HD PRO 603 174.392 17.424 -4.150 56 2HD PRO 603 2HD PRO 603 174.985 17.492 -5.824 57 H SER 604 H SER 604 179.946 15.926 -4.588 58 HA SER 604 HA SER 604 179.974 15.146 -1.812 59 1HB SER 604 1HB SER 604 181.972 14.039 -2.279 60 2HB SER 604 2HB SER 604 181.148 13.986 -3.836 61 HG SER 604 HG SER 604 183.517 14.878 -3.443 62 H LYS 605 H LYS 605 182.314 15.675 -0.762 63 HA LYS 605 HA LYS 605 182.208 18.513 -0.259 64 1HB LYS 605 1HB LYS 605 182.791 16.357 1.302 65 2HB LYS 605 2HB LYS 605 184.403 16.961 0.943 66 1HG LYS 605 1HG LYS 605 183.149 19.260 1.609 67 2HG LYS 605 2HG LYS 605 182.283 18.104 2.622 68 1HD LYS 605 1HD LYS 605 185.230 17.862 2.561 69 2HD LYS 605 2HD LYS 605 184.574 19.289 3.365 70 1HE LYS 605 1HE LYS 605 183.862 18.099 5.117 71 2HE LYS 605 2HE LYS 605 183.172 16.843 4.088 72 1HZ LYS 605 1HZ LYS 605 184.924 15.946 5.461 73 2HZ LYS 605 2HZ LYS 605 186.027 17.085 4.872 74 3HZ LYS 605 3HZ LYS 605 185.400 15.904 3.837 75 H GLU 606 H GLU 606 183.838 16.586 -2.475 76 HA GLU 606 HA GLU 606 186.278 18.139 -2.544 77 1HB GLU 606 1HB GLU 606 185.228 15.732 -3.922 78 2HB GLU 606 2HB GLU 606 186.380 16.707 -4.823 79 1HG GLU 606 1HG GLU 606 187.362 16.349 -2.175 80 2HG GLU 606 2HG GLU 606 186.890 14.781 -2.827 81 H GLY 607 H GLY 607 183.166 18.153 -4.071 82 1HA GLY 607 1HA GLY 607 182.308 20.042 -5.200 83 2HA GLY 607 2HA GLY 607 183.952 20.555 -5.545 84 H ASP 608 H ASP 608 184.606 17.758 -6.456 85 HA ASP 608 HA ASP 608 183.268 17.918 -9.077 86 1HB ASP 608 1HB ASP 608 185.921 18.314 -8.635 87 2HB ASP 608 2HB ASP 608 185.898 16.584 -8.960 88 H ARG 609 H ARG 609 182.844 16.249 -6.492 89 HA ARG 609 HA ARG 609 182.655 13.669 -7.896 90 1HB ARG 609 1HB ARG 609 183.904 14.305 -5.304 91 2HB ARG 609 2HB ARG 609 182.831 12.912 -5.281 92 1HG ARG 609 1HG ARG 609 184.185 12.212 -7.407 93 2HG ARG 609 2HG ARG 609 185.396 13.308 -6.739 94 1HD ARG 609 1HD ARG 609 184.849 11.950 -4.526 95 2HD ARG 609 2HD ARG 609 184.389 10.716 -5.696 96 HE ARG 609 HE ARG 609 186.927 11.788 -6.338 97 1HH1 ARG 609 1HH1 ARG 609 185.354 9.661 -4.062 98 2HH1 ARG 609 2HH1 ARG 609 186.777 8.722 -3.763 99 1HH2 ARG 609 1HH2 ARG 609 188.801 10.554 -5.947 100 2HH2 ARG 609 2HH2 ARG 609 188.735 9.228 -4.834 101 H LEU 610 H LEU 610 180.936 12.270 -7.147 102 HA LEU 610 HA LEU 610 178.717 13.768 -5.914 103 1HB LEU 610 1HB LEU 610 178.863 12.527 -8.455 104 2HB LEU 610 2HB LEU 610 177.773 11.562 -7.479 105 HG LEU 610 HG LEU 610 176.599 13.280 -8.796 106 1HD1 LEU 610 1HD1 LEU 610 175.217 12.855 -7.078 107 2HD1 LEU 610 2HD1 LEU 610 175.676 14.475 -6.553 108 3HD1 LEU 610 3HD1 LEU 610 176.482 13.065 -5.869 109 1HD2 LEU 610 1HD2 LEU 610 176.936 15.655 -7.586 110 2HD2 LEU 610 2HD2 LEU 610 177.803 15.174 -9.044 111 3HD2 LEU 610 3HD2 LEU 610 178.577 15.019 -7.467 112 H ILE 611 H ILE 611 177.906 12.949 -4.102 113 HA ILE 611 HA ILE 611 178.614 10.179 -3.391 114 HB ILE 611 HB ILE 611 177.752 12.283 -1.422 115 1HG1 ILE 611 1HG1 ILE 611 179.706 13.175 -2.563 116 2HG1 ILE 611 2HG1 ILE 611 180.153 12.656 -0.941 117 1HG2 ILE 611 1HG2 ILE 611 178.619 10.849 0.217 118 2HG2 ILE 611 2HG2 ILE 611 179.521 9.901 -0.965 119 3HG2 ILE 611 3HG2 ILE 611 177.761 9.788 -0.900 120 1HD1 ILE 611 1HD1 ILE 611 181.602 11.146 -1.707 121 2HD1 ILE 611 2HD1 ILE 611 181.493 12.034 -3.227 122 3HD1 ILE 611 3HD1 ILE 611 180.506 10.593 -2.974 123 H GLY 612 H GLY 612 177.059 8.812 -2.514 124 1HA GLY 612 1HA GLY 612 174.283 9.790 -2.529 125 2HA GLY 612 2HA GLY 612 174.701 8.355 -3.453 126 H ARG 613 H ARG 613 172.772 8.415 -1.398 127 HA ARG 613 HA ARG 613 174.096 6.858 0.722 128 1HB ARG 613 1HB ARG 613 171.407 8.236 0.822 129 2HB ARG 613 2HB ARG 613 172.188 7.387 2.149 130 1HG ARG 613 1HG ARG 613 174.106 9.170 1.540 131 2HG ARG 613 2HG ARG 613 172.668 10.084 1.081 132 1HD ARG 613 1HD ARG 613 173.016 8.719 3.745 133 2HD ARG 613 2HD ARG 613 173.416 10.411 3.449 134 HE ARG 613 HE ARG 613 170.737 9.756 2.686 135 1HH1 ARG 613 1HH1 ARG 613 172.777 10.623 5.381 136 2HH1 ARG 613 2HH1 ARG 613 171.478 11.291 6.310 137 1HH2 ARG 613 1HH2 ARG 613 169.026 10.634 3.907 138 2HH2 ARG 613 2HH2 ARG 613 169.349 11.298 5.474 139 H VAL 614 H VAL 614 173.812 4.718 0.605 140 HA VAL 614 HA VAL 614 171.438 3.737 -0.823 141 HB VAL 614 HB VAL 614 174.060 2.311 -0.370 142 1HG1 VAL 614 1HG1 VAL 614 172.806 0.495 -0.751 143 2HG1 VAL 614 2HG1 VAL 614 172.780 1.043 -2.427 144 3HG1 VAL 614 3HG1 VAL 614 171.445 1.445 -1.346 145 1HG2 VAL 614 1HG2 VAL 614 174.107 2.584 -2.952 146 2HG2 VAL 614 2HG2 VAL 614 174.602 3.931 -1.927 147 3HG2 VAL 614 3HG2 VAL 614 172.994 3.919 -2.652 148 H ILE 615 H ILE 615 169.926 2.788 0.332 149 HA ILE 615 HA ILE 615 170.617 1.750 2.998 150 HB ILE 615 HB ILE 615 167.786 2.205 2.147 151 1HG1 ILE 615 1HG1 ILE 615 168.815 4.303 1.537 152 2HG1 ILE 615 2HG1 ILE 615 167.940 4.533 3.047 153 1HG2 ILE 615 1HG2 ILE 615 167.970 3.005 4.706 154 2HG2 ILE 615 2HG2 ILE 615 169.309 1.860 4.646 155 3HG2 ILE 615 3HG2 ILE 615 167.678 1.335 4.223 156 1HD1 ILE 615 1HD1 ILE 615 169.888 4.706 4.292 157 2HD1 ILE 615 2HD1 ILE 615 170.275 5.564 2.800 158 3HD1 ILE 615 3HD1 ILE 615 170.866 3.922 3.051 159 H LEU 616 H LEU 616 170.820 -0.389 3.085 160 HA LEU 616 HA LEU 616 169.158 -2.013 1.278 161 1HB LEU 616 1HB LEU 616 172.002 -2.137 2.003 162 2HB LEU 616 2HB LEU 616 171.178 -3.687 2.049 163 HG LEU 616 HG LEU 616 171.281 -1.832 -0.331 164 1HD1 LEU 616 1HD1 LEU 616 173.344 -3.299 0.508 165 2HD1 LEU 616 2HD1 LEU 616 172.971 -3.062 -1.201 166 3HD1 LEU 616 3HD1 LEU 616 172.465 -4.542 -0.386 167 1HD2 LEU 616 1HD2 LEU 616 169.320 -3.615 0.248 168 2HD2 LEU 616 2HD2 LEU 616 170.449 -4.619 -0.659 169 3HD2 LEU 616 3HD2 LEU 616 169.805 -3.144 -1.380 170 H ASN 617 H ASN 617 168.288 -3.974 2.072 171 HA ASN 617 HA ASN 617 168.285 -4.240 5.000 172 1HB ASN 617 1HB ASN 617 165.963 -3.940 3.146 173 2HB ASN 617 2HB ASN 617 165.782 -4.975 4.557 174 1HD2 ASN 617 1HD2 ASN 617 166.297 -1.733 3.424 175 2HD2 ASN 617 2HD2 ASN 617 165.949 -0.938 4.918 176 H LYS 618 H LYS 618 169.013 -6.176 5.541 177 HA LYS 618 HA LYS 618 168.529 -8.448 3.736 178 1HB LYS 618 1HB LYS 618 170.512 -9.471 4.887 179 2HB LYS 618 2HB LYS 618 170.880 -8.034 3.943 180 1HG LYS 618 1HG LYS 618 171.627 -6.932 5.725 181 2HG LYS 618 2HG LYS 618 170.238 -7.406 6.702 182 1HD LYS 618 1HD LYS 618 172.289 -8.264 7.679 183 2HD LYS 618 2HD LYS 618 171.282 -9.594 7.103 184 1HE LYS 618 1HE LYS 618 172.694 -9.371 4.932 185 2HE LYS 618 2HE LYS 618 173.834 -8.517 5.970 186 1HZ LYS 618 1HZ LYS 618 172.836 -11.061 6.967 187 2HZ LYS 618 2HZ LYS 618 174.388 -10.396 7.060 188 3HZ LYS 618 3HZ LYS 618 173.872 -11.141 5.632 189 H ARG 619 H ARG 619 166.542 -7.626 5.564 190 HA ARG 619 HA ARG 619 166.701 -9.142 7.970 191 1HB ARG 619 1HB ARG 619 164.409 -8.502 8.363 192 2HB ARG 619 2HB ARG 619 165.316 -7.112 7.786 193 1HG ARG 619 1HG ARG 619 163.732 -8.794 5.887 194 2HG ARG 619 2HG ARG 619 162.957 -7.538 6.856 195 1HD ARG 619 1HD ARG 619 165.159 -6.252 5.879 196 2HD ARG 619 2HD ARG 619 164.722 -7.309 4.538 197 HE ARG 619 HE ARG 619 163.224 -5.045 5.537 198 1HH1 ARG 619 1HH1 ARG 619 163.147 -7.953 3.605 199 2HH1 ARG 619 2HH1 ARG 619 161.777 -7.447 2.676 200 1HH2 ARG 619 1HH2 ARG 619 161.423 -4.381 4.315 201 2HH2 ARG 619 2HH2 ARG 619 160.799 -5.420 3.077 202 H THR 620 H THR 620 165.330 -9.718 4.785 203 HA THR 620 HA THR 620 164.923 -12.517 5.558 204 HB THR 620 HB THR 620 162.737 -11.393 5.712 205 HG1 THR 620 HG1 THR 620 161.645 -12.836 4.347 206 1HG2 THR 620 1HG2 THR 620 162.448 -9.684 4.285 207 2HG2 THR 620 2HG2 THR 620 161.800 -10.953 3.245 208 3HG2 THR 620 3HG2 THR 620 163.464 -10.407 3.038 209 H THR 621 H THR 621 163.961 -13.551 3.259 210 HA THR 621 HA THR 621 166.226 -13.818 1.654 211 HB THR 621 HB THR 621 163.405 -14.339 0.723 212 HG1 THR 621 HG1 THR 621 165.037 -16.007 2.334 213 1HG2 THR 621 1HG2 THR 621 164.793 -16.463 -0.079 214 2HG2 THR 621 2HG2 THR 621 166.081 -15.258 -0.112 215 3HG2 THR 621 3HG2 THR 621 164.613 -15.008 -1.058 216 H MET 622 H MET 622 166.660 -13.153 -0.483 217 HA MET 622 HA MET 622 165.472 -10.552 -1.148 218 1HB MET 622 1HB MET 622 167.693 -10.819 -2.772 219 2HB MET 622 2HB MET 622 167.608 -9.906 -1.276 220 1HG MET 622 1HG MET 622 168.671 -11.558 -0.053 221 2HG MET 622 2HG MET 622 168.288 -12.813 -1.230 222 1HE MET 622 1HE MET 622 169.100 -12.816 -3.575 223 2HE MET 622 2HE MET 622 170.373 -13.744 -2.779 224 3HE MET 622 3HE MET 622 170.793 -12.513 -3.969 225 HA PRO 623 HA PRO 623 163.565 -11.901 -4.863 226 1HB PRO 623 1HB PRO 623 164.969 -9.757 -6.350 227 2HB PRO 623 2HB PRO 623 163.237 -10.046 -6.159 228 1HG PRO 623 1HG PRO 623 164.447 -8.040 -4.877 229 2HG PRO 623 2HG PRO 623 163.147 -8.972 -4.110 230 1HD PRO 623 1HD PRO 623 166.105 -9.140 -3.691 231 2HD PRO 623 2HD PRO 623 164.789 -9.251 -2.504 232 H LYS 624 H LYS 624 167.006 -11.561 -4.735 233 HA LYS 624 HA LYS 624 167.498 -12.778 -7.298 234 1HB LYS 624 1HB LYS 624 169.028 -11.372 -5.350 235 2HB LYS 624 2HB LYS 624 169.799 -12.927 -5.625 236 1HG LYS 624 1HG LYS 624 168.966 -11.266 -7.956 237 2HG LYS 624 2HG LYS 624 170.444 -10.871 -7.077 238 1HD LYS 624 1HD LYS 624 171.262 -12.297 -8.683 239 2HD LYS 624 2HD LYS 624 170.933 -13.430 -7.370 240 1HE LYS 624 1HE LYS 624 168.784 -13.990 -8.385 241 2HE LYS 624 2HE LYS 624 169.095 -12.845 -9.690 242 1HZ LYS 624 1HZ LYS 624 170.695 -15.276 -9.092 243 2HZ LYS 624 2HZ LYS 624 171.023 -14.170 -10.328 244 3HZ LYS 624 3HZ LYS 624 169.607 -15.094 -10.375 245 H GLU 625 H GLU 625 166.250 -14.067 -4.595 246 HA GLU 625 HA GLU 625 165.929 -16.213 -3.915 247 1HB GLU 625 1HB GLU 625 167.819 -17.353 -5.914 248 2HB GLU 625 2HB GLU 625 166.252 -17.949 -5.384 249 1HG GLU 625 1HG GLU 625 165.623 -15.593 -6.651 250 2HG GLU 625 2HG GLU 625 166.942 -16.237 -7.627 251 H SER 626 H SER 626 167.419 -18.320 -3.431 252 HA SER 626 HA SER 626 169.123 -19.198 -2.202 253 1HB SER 626 1HB SER 626 170.449 -17.647 -3.956 254 2HB SER 626 2HB SER 626 170.885 -16.820 -2.462 255 HG SER 626 HG SER 626 171.601 -18.867 -1.667 256 H GLY 627 H GLY 627 169.336 -15.677 -1.635 257 1HA GLY 627 1HA GLY 627 168.561 -14.565 0.303 258 2HA GLY 627 2HA GLY 627 168.460 -16.116 1.123 259 H ALA 628 H ALA 628 171.180 -14.701 -0.661 260 HA ALA 628 HA ALA 628 173.123 -15.485 1.161 261 1HB ALA 628 1HB ALA 628 173.128 -13.254 -0.859 262 2HB ALA 628 2HB ALA 628 173.786 -14.880 -1.037 263 3HB ALA 628 3HB ALA 628 174.553 -13.734 0.062 264 H LEU 629 H LEU 629 172.929 -12.011 0.674 265 HA LEU 629 HA LEU 629 172.425 -11.665 3.542 266 1HB LEU 629 1HB LEU 629 174.333 -9.818 2.201 267 2HB LEU 629 2HB LEU 629 174.204 -10.252 3.889 268 HG LEU 629 HG LEU 629 176.230 -11.162 3.163 269 1HD1 LEU 629 1HD1 LEU 629 174.989 -13.714 2.737 270 2HD1 LEU 629 2HD1 LEU 629 174.213 -12.831 4.052 271 3HD1 LEU 629 3HD1 LEU 629 175.952 -13.132 4.094 272 1HD2 LEU 629 1HD2 LEU 629 176.467 -11.223 0.939 273 2HD2 LEU 629 2HD2 LEU 629 174.785 -11.652 0.660 274 3HD2 LEU 629 3HD2 LEU 629 175.947 -12.896 1.117 275 H LEU 630 H LEU 630 173.157 -9.336 0.965 276 HA LEU 630 HA LEU 630 170.411 -8.326 1.186 277 1HB LEU 630 1HB LEU 630 171.718 -6.001 0.797 278 2HB LEU 630 2HB LEU 630 171.223 -6.601 2.367 279 HG LEU 630 HG LEU 630 173.889 -7.407 1.387 280 1HD1 LEU 630 1HD1 LEU 630 174.094 -5.148 0.807 281 2HD1 LEU 630 2HD1 LEU 630 174.798 -5.264 2.420 282 3HD1 LEU 630 3HD1 LEU 630 173.168 -4.619 2.213 283 1HD2 LEU 630 1HD2 LEU 630 172.545 -6.902 3.984 284 2HD2 LEU 630 2HD2 LEU 630 174.302 -6.795 3.887 285 3HD2 LEU 630 3HD2 LEU 630 173.484 -8.295 3.451 286 H GLY 631 H GLY 631 173.468 -8.184 -0.726 287 1HA GLY 631 1HA GLY 631 172.372 -8.917 -3.113 288 2HA GLY 631 2HA GLY 631 172.036 -7.203 -3.027 289 H LEU 632 H LEU 632 175.025 -7.720 -1.512 290 HA LEU 632 HA LEU 632 176.585 -7.917 -3.916 291 1HB LEU 632 1HB LEU 632 177.508 -5.721 -3.991 292 2HB LEU 632 2HB LEU 632 175.766 -5.607 -4.070 293 HG LEU 632 HG LEU 632 176.628 -3.813 -2.727 294 1HD1 LEU 632 1HD1 LEU 632 175.636 -5.196 -0.427 295 2HD1 LEU 632 2HD1 LEU 632 174.686 -5.620 -1.849 296 3HD1 LEU 632 3HD1 LEU 632 174.880 -3.930 -1.391 297 1HD2 LEU 632 1HD2 LEU 632 177.615 -5.475 -0.525 298 2HD2 LEU 632 2HD2 LEU 632 178.234 -3.960 -1.182 299 3HD2 LEU 632 3HD2 LEU 632 178.615 -5.486 -1.978 300 H LYS 633 H LYS 633 178.803 -8.173 -3.601 301 HA LYS 633 HA LYS 633 179.560 -8.700 -0.813 302 1HB LYS 633 1HB LYS 633 179.786 -10.402 -2.809 303 2HB LYS 633 2HB LYS 633 181.244 -9.488 -3.164 304 1HG LYS 633 1HG LYS 633 182.211 -10.045 -1.076 305 2HG LYS 633 2HG LYS 633 180.687 -10.693 -0.469 306 1HD LYS 633 1HD LYS 633 180.847 -12.369 -2.399 307 2HD LYS 633 2HD LYS 633 182.527 -11.856 -2.536 308 1HE LYS 633 1HE LYS 633 181.209 -13.040 -0.096 309 2HE LYS 633 2HE LYS 633 182.355 -13.851 -1.160 310 1HZ LYS 633 1HZ LYS 633 184.101 -12.720 -0.291 311 2HZ LYS 633 2HZ LYS 633 183.099 -12.692 1.070 312 3HZ LYS 633 3HZ LYS 633 183.198 -11.335 0.067 313 H VAL 634 H VAL 634 181.090 -7.497 0.191 314 HA VAL 634 HA VAL 634 182.494 -5.496 -1.458 315 HB VAL 634 HB VAL 634 181.198 -5.242 1.228 316 1HG1 VAL 634 1HG1 VAL 634 183.474 -4.535 1.665 317 2HG1 VAL 634 2HG1 VAL 634 182.419 -3.123 1.595 318 3HG1 VAL 634 3HG1 VAL 634 183.462 -3.514 0.228 319 1HG2 VAL 634 1HG2 VAL 634 179.773 -4.136 -0.065 320 2HG2 VAL 634 2HG2 VAL 634 180.890 -4.148 -1.430 321 3HG2 VAL 634 3HG2 VAL 634 181.006 -2.883 -0.207 322 H VAL 635 H VAL 635 184.525 -4.769 -0.730 323 HA VAL 635 HA VAL 635 186.004 -6.796 0.804 324 HB VAL 635 HB VAL 635 186.553 -5.448 -1.728 325 1HG1 VAL 635 1HG1 VAL 635 188.787 -5.590 0.292 326 2HG1 VAL 635 2HG1 VAL 635 188.083 -4.120 -0.385 327 3HG1 VAL 635 3HG1 VAL 635 188.968 -5.235 -1.425 328 1HG2 VAL 635 1HG2 VAL 635 186.432 -7.953 -0.936 329 2HG2 VAL 635 2HG2 VAL 635 188.155 -7.698 -0.652 330 3HG2 VAL 635 3HG2 VAL 635 187.479 -7.451 -2.265 331 H GLY 636 H GLY 636 187.894 -5.951 2.025 332 1HA GLY 636 1HA GLY 636 187.575 -3.146 2.849 333 2HA GLY 636 2HA GLY 636 187.531 -4.407 4.071 334 H GLY 637 H GLY 637 189.393 -2.215 3.890 335 1HA GLY 637 1HA GLY 637 191.630 -2.025 4.473 336 2HA GLY 637 2HA GLY 637 191.825 -3.744 4.168 337 H LYS 638 H LYS 638 190.660 -1.199 1.991 338 HA LYS 638 HA LYS 638 192.783 -1.965 0.112 339 1HB LYS 638 1HB LYS 638 190.127 -0.592 -0.309 340 2HB LYS 638 2HB LYS 638 191.339 -0.759 -1.572 341 1HG LYS 638 1HG LYS 638 190.345 -3.169 -0.111 342 2HG LYS 638 2HG LYS 638 189.404 -2.465 -1.428 343 1HD LYS 638 1HD LYS 638 191.991 -2.590 -2.428 344 2HD LYS 638 2HD LYS 638 191.803 -4.095 -1.525 345 1HE LYS 638 1HE LYS 638 190.228 -4.904 -2.940 346 2HE LYS 638 2HE LYS 638 189.543 -3.311 -3.259 347 1HZ LYS 638 1HZ LYS 638 192.002 -3.169 -4.389 348 2HZ LYS 638 2HZ LYS 638 190.564 -3.486 -5.218 349 3HZ LYS 638 3HZ LYS 638 191.547 -4.766 -4.713 350 H MET 639 H MET 639 194.447 -0.716 1.014 351 HA MET 639 HA MET 639 194.289 1.985 1.702 352 1HB MET 639 1HB MET 639 196.181 0.519 2.296 353 2HB MET 639 2HB MET 639 196.674 0.480 0.609 354 1HG MET 639 1HG MET 639 198.036 2.144 1.211 355 2HG MET 639 2HG MET 639 196.593 3.144 1.042 356 1HE MET 639 1HE MET 639 195.345 4.263 2.886 357 2HE MET 639 2HE MET 639 195.484 3.895 4.604 358 3HE MET 639 3HE MET 639 194.789 2.706 3.502 359 H THR 640 H THR 640 193.770 3.658 0.477 360 HA THR 640 HA THR 640 194.224 3.528 -2.411 361 HB THR 640 HB THR 640 192.774 5.609 -2.414 362 HG1 THR 640 HG1 THR 640 192.200 4.842 0.248 363 1HG2 THR 640 1HG2 THR 640 191.535 3.787 -3.035 364 2HG2 THR 640 2HG2 THR 640 190.676 4.311 -1.588 365 3HG2 THR 640 3HG2 THR 640 191.794 2.951 -1.504 366 H ASP 641 H ASP 641 194.528 5.990 -3.259 367 HA ASP 641 HA ASP 641 197.189 6.665 -2.473 368 1HB ASP 641 1HB ASP 641 195.234 7.864 -4.426 369 2HB ASP 641 2HB ASP 641 196.808 8.594 -4.118 370 H LEU 642 H LEU 642 194.215 7.459 -1.159 371 HA LEU 642 HA LEU 642 194.971 10.141 -0.329 372 1HB LEU 642 1HB LEU 642 192.517 8.501 0.296 373 2HB LEU 642 2HB LEU 642 192.760 10.174 0.761 374 HG LEU 642 HG LEU 642 191.331 10.161 -1.144 375 1HD1 LEU 642 1HD1 LEU 642 192.571 11.493 -2.717 376 2HD1 LEU 642 2HD1 LEU 642 194.100 10.856 -2.108 377 3HD1 LEU 642 3HD1 LEU 642 193.102 11.887 -1.081 378 1HD2 LEU 642 1HD2 LEU 642 191.645 8.944 -3.091 379 2HD2 LEU 642 2HD2 LEU 642 192.203 7.827 -1.845 380 3HD2 LEU 642 3HD2 LEU 642 193.372 8.735 -2.803 381 H GLY 643 H GLY 643 196.106 7.351 0.638 382 1HA GLY 643 1HA GLY 643 197.050 6.576 2.578 383 2HA GLY 643 2HA GLY 643 196.913 8.222 3.177 384 H ARG 644 H ARG 644 194.128 6.359 2.181 385 HA ARG 644 HA ARG 644 193.449 5.799 4.973 386 1HB ARG 644 1HB ARG 644 191.127 6.638 4.559 387 2HB ARG 644 2HB ARG 644 192.357 7.894 4.588 388 1HG ARG 644 1HG ARG 644 191.598 8.602 2.636 389 2HG ARG 644 2HG ARG 644 192.167 7.096 1.914 390 1HD ARG 644 1HD ARG 644 190.090 6.268 1.721 391 2HD ARG 644 2HD ARG 644 189.607 6.853 3.313 392 HE ARG 644 HE ARG 644 189.169 8.142 0.790 393 1HH1 ARG 644 1HH1 ARG 644 189.557 8.665 4.219 394 2HH1 ARG 644 2HH1 ARG 644 188.686 10.162 4.215 395 1HH2 ARG 644 1HH2 ARG 644 188.025 10.111 0.784 396 2HH2 ARG 644 2HH2 ARG 644 187.815 10.982 2.266 397 H LEU 645 H LEU 645 192.112 4.033 5.287 398 HA LEU 645 HA LEU 645 191.926 2.229 3.010 399 1HB LEU 645 1HB LEU 645 191.584 1.877 5.977 400 2HB LEU 645 2HB LEU 645 191.129 0.619 4.843 401 HG LEU 645 HG LEU 645 193.907 1.779 5.039 402 1HD1 LEU 645 1HD1 LEU 645 192.748 0.278 6.973 403 2HD1 LEU 645 2HD1 LEU 645 194.472 0.271 6.603 404 3HD1 LEU 645 3HD1 LEU 645 193.421 -0.975 5.930 405 1HD2 LEU 645 1HD2 LEU 645 193.445 -0.891 3.910 406 2HD2 LEU 645 2HD2 LEU 645 194.504 0.409 3.363 407 3HD2 LEU 645 3HD2 LEU 645 192.788 0.443 2.961 408 H GLY 646 H GLY 646 189.975 1.091 2.484 409 1HA GLY 646 1HA GLY 646 187.476 2.092 3.579 410 2HA GLY 646 2HA GLY 646 187.781 2.510 1.901 411 H ALA 647 H ALA 647 185.874 1.321 1.369 412 HA ALA 647 HA ALA 647 186.385 -1.569 1.190 413 1HB ALA 647 1HB ALA 647 184.052 -0.195 2.364 414 2HB ALA 647 2HB ALA 647 184.756 -1.767 2.744 415 3HB ALA 647 3HB ALA 647 183.707 -1.586 1.336 416 H PHE 648 H PHE 648 185.615 -2.607 -0.645 417 HA PHE 648 HA PHE 648 184.410 -0.921 -2.727 418 1HB PHE 648 1HB PHE 648 186.892 -2.613 -2.959 419 2HB PHE 648 2HB PHE 648 185.933 -2.182 -4.370 420 HD1 PHE 648 HD1 PHE 648 188.157 -0.938 -1.748 421 HD2 PHE 648 HD2 PHE 648 185.892 0.078 -5.203 422 HE1 PHE 648 HE1 PHE 648 189.359 1.204 -1.901 423 HE2 PHE 648 HE2 PHE 648 187.090 2.220 -5.364 424 HZ PHE 648 HZ PHE 648 188.827 2.785 -3.712 425 H ILE 649 H ILE 649 182.922 -1.943 -4.025 426 HA ILE 649 HA ILE 649 181.917 -4.463 -3.083 427 HB ILE 649 HB ILE 649 181.057 -2.744 -5.419 428 1HG1 ILE 649 1HG1 ILE 649 179.450 -3.181 -2.932 429 2HG1 ILE 649 2HG1 ILE 649 180.792 -2.039 -2.890 430 1HG2 ILE 649 1HG2 ILE 649 180.451 -5.051 -5.842 431 2HG2 ILE 649 2HG2 ILE 649 179.013 -4.108 -5.448 432 3HG2 ILE 649 3HG2 ILE 649 179.724 -5.178 -4.239 433 1HD1 ILE 649 1HD1 ILE 649 178.805 -1.816 -5.087 434 2HD1 ILE 649 2HD1 ILE 649 179.757 -0.563 -4.289 435 3HD1 ILE 649 3HD1 ILE 649 178.360 -1.263 -3.472 436 H THR 650 H THR 650 182.733 -6.347 -3.664 437 HA THR 650 HA THR 650 184.432 -6.631 -5.953 438 HB THR 650 HB THR 650 183.817 -9.195 -5.008 439 HG1 THR 650 HG1 THR 650 182.755 -8.264 -3.233 440 1HG2 THR 650 1HG2 THR 650 186.016 -8.226 -3.538 441 2HG2 THR 650 2HG2 THR 650 186.073 -7.477 -5.134 442 3HG2 THR 650 3HG2 THR 650 186.020 -9.232 -4.985 443 H LYS 651 H LYS 651 181.081 -7.360 -5.226 444 HA LYS 651 HA LYS 651 180.494 -7.713 -7.997 445 1HB LYS 651 1HB LYS 651 179.738 -10.028 -7.923 446 2HB LYS 651 2HB LYS 651 181.450 -9.920 -7.536 447 1HG LYS 651 1HG LYS 651 180.398 -9.801 -5.060 448 2HG LYS 651 2HG LYS 651 179.182 -10.786 -5.876 449 1HD LYS 651 1HD LYS 651 182.149 -11.337 -5.821 450 2HD LYS 651 2HD LYS 651 180.930 -12.165 -4.849 451 1HE LYS 651 1HE LYS 651 180.234 -13.436 -6.576 452 2HE LYS 651 2HE LYS 651 180.405 -12.124 -7.741 453 1HZ LYS 651 1HZ LYS 651 182.949 -12.607 -7.228 454 2HZ LYS 651 2HZ LYS 651 182.096 -13.424 -8.439 455 3HZ LYS 651 3HZ LYS 651 182.331 -14.153 -6.932 456 H VAL 652 H VAL 652 178.218 -8.135 -8.412 457 HA VAL 652 HA VAL 652 176.434 -7.631 -6.135 458 HB VAL 652 HB VAL 652 175.263 -6.226 -8.247 459 1HG1 VAL 652 1HG1 VAL 652 175.590 -4.273 -6.834 460 2HG1 VAL 652 2HG1 VAL 652 176.797 -5.151 -5.887 461 3HG1 VAL 652 3HG1 VAL 652 175.112 -5.679 -5.880 462 1HG2 VAL 652 1HG2 VAL 652 178.002 -5.076 -7.950 463 2HG2 VAL 652 2HG2 VAL 652 176.794 -4.797 -9.205 464 3HG2 VAL 652 3HG2 VAL 652 177.692 -6.313 -9.170 465 H LYS 653 H LYS 653 174.708 -8.937 -6.147 466 HA LYS 653 HA LYS 653 174.284 -10.675 -8.430 467 1HB LYS 653 1HB LYS 653 173.888 -10.883 -5.639 468 2HB LYS 653 2HB LYS 653 172.297 -11.002 -6.378 469 1HG LYS 653 1HG LYS 653 173.053 -12.832 -7.777 470 2HG LYS 653 2HG LYS 653 174.682 -12.686 -7.113 471 1HD LYS 653 1HD LYS 653 172.423 -13.063 -5.217 472 2HD LYS 653 2HD LYS 653 172.944 -14.451 -6.175 473 1HE LYS 653 1HE LYS 653 174.880 -14.661 -5.045 474 2HE LYS 653 2HE LYS 653 175.123 -12.919 -4.939 475 1HZ LYS 653 1HZ LYS 653 173.479 -14.641 -3.181 476 2HZ LYS 653 2HZ LYS 653 173.309 -12.959 -3.203 477 3HZ LYS 653 3HZ LYS 653 174.784 -13.653 -2.754 478 H LYS 654 H LYS 654 173.197 -9.798 -10.079 479 HA LYS 654 HA LYS 654 171.426 -7.661 -9.977 480 1HB LYS 654 1HB LYS 654 170.629 -8.511 -12.218 481 2HB LYS 654 2HB LYS 654 172.362 -8.250 -12.075 482 1HG LYS 654 1HG LYS 654 172.851 -10.445 -12.287 483 2HG LYS 654 2HG LYS 654 171.387 -10.965 -11.450 484 1HD LYS 654 1HD LYS 654 171.150 -9.684 -14.134 485 2HD LYS 654 2HD LYS 654 171.672 -11.366 -14.028 486 1HE LYS 654 1HE LYS 654 169.447 -11.756 -14.104 487 2HE LYS 654 2HE LYS 654 169.565 -11.448 -12.372 488 1HZ LYS 654 1HZ LYS 654 167.796 -10.219 -13.780 489 2HZ LYS 654 2HZ LYS 654 169.079 -9.209 -14.216 490 3HZ LYS 654 3HZ LYS 654 168.647 -9.369 -12.589 491 H GLY 655 H GLY 655 169.590 -7.543 -8.869 492 1HA GLY 655 1HA GLY 655 167.205 -8.306 -9.110 493 2HA GLY 655 2HA GLY 655 167.837 -9.920 -8.827 494 H SER 656 H SER 656 169.750 -9.026 -6.809 495 HA SER 656 HA SER 656 168.125 -9.309 -4.523 496 1HB SER 656 1HB SER 656 170.897 -8.156 -4.399 497 2HB SER 656 2HB SER 656 170.105 -9.262 -3.277 498 HG SER 656 HG SER 656 171.474 -10.514 -4.429 499 H LEU 657 H LEU 657 168.491 -7.689 -2.608 500 HA LEU 657 HA LEU 657 167.063 -5.364 -3.193 501 1HB LEU 657 1HB LEU 657 168.871 -5.800 -0.821 502 2HB LEU 657 2HB LEU 657 167.531 -4.674 -0.924 503 HG LEU 657 HG LEU 657 166.466 -7.231 -1.488 504 1HD1 LEU 657 1HD1 LEU 657 167.032 -8.405 0.631 505 2HD1 LEU 657 2HD1 LEU 657 168.312 -7.221 0.891 506 3HD1 LEU 657 3HD1 LEU 657 168.374 -8.292 -0.507 507 1HD2 LEU 657 1HD2 LEU 657 166.215 -5.124 0.567 508 2HD2 LEU 657 2HD2 LEU 657 165.605 -6.722 0.999 509 3HD2 LEU 657 3HD2 LEU 657 164.980 -5.895 -0.428 510 H ALA 658 H ALA 658 170.508 -5.763 -2.476 511 HA ALA 658 HA ALA 658 171.380 -3.173 -2.584 512 1HB ALA 658 1HB ALA 658 172.995 -5.307 -3.915 513 2HB ALA 658 2HB ALA 658 172.673 -5.380 -2.182 514 3HB ALA 658 3HB ALA 658 173.524 -3.994 -2.863 515 H ASP 659 H ASP 659 170.373 -5.175 -5.242 516 HA ASP 659 HA ASP 659 171.433 -3.356 -7.232 517 1HB ASP 659 1HB ASP 659 171.112 -5.993 -7.334 518 2HB ASP 659 2HB ASP 659 169.534 -5.529 -7.964 519 H VAL 660 H VAL 660 168.224 -4.462 -6.210 520 HA VAL 660 HA VAL 660 166.841 -2.659 -7.927 521 HB VAL 660 HB VAL 660 164.868 -3.235 -6.311 522 1HG1 VAL 660 1HG1 VAL 660 165.697 -4.205 -8.672 523 2HG1 VAL 660 2HG1 VAL 660 164.265 -4.791 -7.828 524 3HG1 VAL 660 3HG1 VAL 660 165.788 -5.671 -7.695 525 1HG2 VAL 660 1HG2 VAL 660 166.856 -4.355 -4.822 526 2HG2 VAL 660 2HG2 VAL 660 166.252 -5.749 -5.717 527 3HG2 VAL 660 3HG2 VAL 660 165.151 -4.795 -4.722 528 H VAL 661 H VAL 661 167.536 -2.598 -4.427 529 HA VAL 661 HA VAL 661 166.384 0.084 -4.289 530 HB VAL 661 HB VAL 661 165.730 -1.504 -2.539 531 1HG1 VAL 661 1HG1 VAL 661 167.684 -1.791 -0.753 532 2HG1 VAL 661 2HG1 VAL 661 168.663 -1.750 -2.218 533 3HG1 VAL 661 3HG1 VAL 661 167.395 -2.961 -2.040 534 1HG2 VAL 661 1HG2 VAL 661 166.147 1.066 -2.215 535 2HG2 VAL 661 2HG2 VAL 661 167.412 0.504 -1.121 536 3HG2 VAL 661 3HG2 VAL 661 165.734 0.038 -0.842 537 H GLY 662 H GLY 662 169.470 -1.547 -4.156 538 1HA GLY 662 1HA GLY 662 170.852 0.833 -3.217 539 2HA GLY 662 2HA GLY 662 171.590 -0.711 -3.617 540 H HIS 663 H HIS 663 171.012 -1.206 -6.130 541 HA HIS 663 HA HIS 663 171.492 -0.732 -8.292 542 1HB HIS 663 1HB HIS 663 170.025 1.475 -7.366 543 2HB HIS 663 2HB HIS 663 171.378 2.156 -8.261 544 HD1 HIS 663 HD1 HIS 663 169.469 2.938 -9.967 545 HD2 HIS 663 HD2 HIS 663 170.152 -1.155 -9.748 546 HE1 HIS 663 HE1 HIS 663 168.398 1.967 -12.024 547 HE2 HIS 663 HE2 HIS 663 168.749 -0.520 -11.826 548 H LEU 664 H LEU 664 173.712 -1.364 -7.313 549 HA LEU 664 HA LEU 664 175.587 0.711 -8.171 550 1HB LEU 664 1HB LEU 664 177.131 -0.283 -6.287 551 2HB LEU 664 2HB LEU 664 176.024 1.032 -5.959 552 HG LEU 664 HG LEU 664 176.078 -0.721 -4.199 553 1HD1 LEU 664 1HD1 LEU 664 174.019 0.749 -4.998 554 2HD1 LEU 664 2HD1 LEU 664 173.892 -0.427 -3.689 555 3HD1 LEU 664 3HD1 LEU 664 173.340 -0.848 -5.310 556 1HD2 LEU 664 1HD2 LEU 664 174.442 -2.529 -5.865 557 2HD2 LEU 664 2HD2 LEU 664 175.570 -2.891 -4.556 558 3HD2 LEU 664 3HD2 LEU 664 176.180 -2.515 -6.170 559 H ARG 665 H ARG 665 177.884 -0.361 -8.310 560 HA ARG 665 HA ARG 665 177.619 -3.102 -9.315 561 1HB ARG 665 1HB ARG 665 178.825 -0.776 -10.813 562 2HB ARG 665 2HB ARG 665 179.051 -2.457 -11.276 563 1HG ARG 665 1HG ARG 665 176.388 -2.418 -11.165 564 2HG ARG 665 2HG ARG 665 176.676 -0.718 -11.535 565 1HD ARG 665 1HD ARG 665 178.374 -2.219 -13.215 566 2HD ARG 665 2HD ARG 665 176.790 -2.989 -13.272 567 HE ARG 665 HE ARG 665 176.531 -0.187 -13.549 568 1HH1 ARG 665 1HH1 ARG 665 177.553 -3.025 -15.304 569 2HH1 ARG 665 2HH1 ARG 665 177.184 -2.352 -16.856 570 1HH2 ARG 665 1HH2 ARG 665 176.045 0.701 -15.590 571 2HH2 ARG 665 2HH2 ARG 665 176.329 -0.237 -17.019 572 H ALA 666 H ALA 666 179.612 -4.271 -9.485 573 HA ALA 666 HA ALA 666 181.291 -4.006 -7.289 574 1HB ALA 666 1HB ALA 666 182.500 -5.795 -8.135 575 2HB ALA 666 2HB ALA 666 182.232 -5.314 -9.810 576 3HB ALA 666 3HB ALA 666 180.911 -6.012 -8.871 577 H GLY 667 H GLY 667 182.865 -2.627 -6.828 578 1HA GLY 667 1HA GLY 667 185.071 -1.789 -7.713 579 2HA GLY 667 2HA GLY 667 184.130 -1.169 -9.064 580 H ASP 668 H ASP 668 181.923 -0.589 -7.027 581 HA ASP 668 HA ASP 668 182.566 2.142 -6.619 582 1HB ASP 668 1HB ASP 668 180.292 0.355 -6.036 583 2HB ASP 668 2HB ASP 668 180.463 1.720 -4.937 584 H GLU 669 H GLU 669 183.131 3.252 -4.770 585 HA GLU 669 HA GLU 669 184.313 1.600 -2.660 586 1HB GLU 669 1HB GLU 669 185.561 3.468 -3.981 587 2HB GLU 669 2HB GLU 669 184.706 4.563 -2.904 588 1HG GLU 669 1HG GLU 669 185.719 3.535 -0.979 589 2HG GLU 669 2HG GLU 669 186.485 2.315 -1.994 590 H VAL 670 H VAL 670 183.068 1.250 -0.944 591 HA VAL 670 HA VAL 670 181.056 3.224 -0.190 592 HB VAL 670 HB VAL 670 181.531 0.389 0.738 593 1HG1 VAL 670 1HG1 VAL 670 179.170 0.916 1.829 594 2HG1 VAL 670 2HG1 VAL 670 179.848 2.542 1.904 595 3HG1 VAL 670 3HG1 VAL 670 180.680 1.201 2.692 596 1HG2 VAL 670 1HG2 VAL 670 179.594 -0.180 -0.436 597 2HG2 VAL 670 2HG2 VAL 670 180.432 0.934 -1.516 598 3HG2 VAL 670 3HG2 VAL 670 179.063 1.497 -0.557 599 H LEU 671 H LEU 671 181.995 4.845 0.933 600 HA LEU 671 HA LEU 671 184.056 4.324 2.888 601 1HB LEU 671 1HB LEU 671 182.606 6.920 2.410 602 2HB LEU 671 2HB LEU 671 184.160 6.697 3.186 603 HG LEU 671 HG LEU 671 184.809 7.477 1.127 604 1HD1 LEU 671 1HD1 LEU 671 185.624 5.066 1.634 605 2HD1 LEU 671 2HD1 LEU 671 185.927 5.774 0.047 606 3HD1 LEU 671 3HD1 LEU 671 184.606 4.625 0.263 607 1HD2 LEU 671 1HD2 LEU 671 182.250 7.056 0.374 608 2HD2 LEU 671 2HD2 LEU 671 183.080 5.838 -0.595 609 3HD2 LEU 671 3HD2 LEU 671 183.541 7.534 -0.729 610 H GLU 672 H GLU 672 180.812 3.887 2.983 611 HA GLU 672 HA GLU 672 180.767 4.185 5.890 612 1HB GLU 672 1HB GLU 672 178.739 5.365 3.999 613 2HB GLU 672 2HB GLU 672 178.431 5.129 5.713 614 1HG GLU 672 1HG GLU 672 180.904 6.577 5.107 615 2HG GLU 672 2HG GLU 672 179.425 7.395 4.603 616 H TRP 673 H TRP 673 179.983 2.415 6.826 617 HA TRP 673 HA TRP 673 178.061 0.752 5.341 618 1HB TRP 673 1HB TRP 673 180.433 -0.185 5.330 619 2HB TRP 673 2HB TRP 673 180.249 -0.411 7.067 620 HD1 TRP 673 HD1 TRP 673 178.266 -2.165 7.840 621 HE1 TRP 673 HE1 TRP 673 177.382 -4.267 6.645 622 HE3 TRP 673 HE3 TRP 673 179.990 -1.202 3.129 623 HZ2 TRP 673 HZ2 TRP 673 177.419 -5.372 4.042 624 HZ3 TRP 673 HZ3 TRP 673 179.520 -2.826 1.348 625 HH2 TRP 673 HH2 TRP 673 178.264 -4.873 1.796 626 H ASN 674 H ASN 674 176.228 0.717 6.468 627 HA ASN 674 HA ASN 674 174.750 0.578 8.193 628 1HB ASN 674 1HB ASN 674 176.301 -1.366 8.810 629 2HB ASN 674 2HB ASN 674 177.031 -0.267 9.977 630 1HD2 ASN 674 1HD2 ASN 674 174.050 -1.856 9.034 631 2HD2 ASN 674 2HD2 ASN 674 173.305 -1.796 10.591 632 H GLY 675 H GLY 675 175.852 3.052 7.628 633 1HA GLY 675 1HA GLY 675 175.934 5.174 8.487 634 2HA GLY 675 2HA GLY 675 175.174 4.520 9.928 635 H LYS 676 H LYS 676 178.171 3.064 9.071 636 HA LYS 676 HA LYS 676 179.465 4.563 11.249 637 1HB LYS 676 1HB LYS 676 180.023 2.559 12.063 638 2HB LYS 676 2HB LYS 676 179.255 1.771 10.698 639 1HG LYS 676 1HG LYS 676 181.245 1.006 10.088 640 2HG LYS 676 2HG LYS 676 181.763 2.660 9.748 641 1HD LYS 676 1HD LYS 676 183.292 1.500 11.286 642 2HD LYS 676 2HD LYS 676 182.538 2.902 12.041 643 1HE LYS 676 1HE LYS 676 181.189 1.606 13.405 644 2HE LYS 676 2HE LYS 676 181.304 0.198 12.351 645 1HZ LYS 676 1HZ LYS 676 182.622 -0.312 14.189 646 2HZ LYS 676 2HZ LYS 676 183.316 1.229 14.256 647 3HZ LYS 676 3HZ LYS 676 183.740 0.164 13.013 648 HA PRO 677 HA PRO 677 182.361 6.019 8.236 649 1HB PRO 677 1HB PRO 677 184.265 7.005 9.840 650 2HB PRO 677 2HB PRO 677 182.665 7.751 9.759 651 1HG PRO 677 1HG PRO 677 183.808 5.936 11.836 652 2HG PRO 677 2HG PRO 677 182.756 7.348 12.037 653 1HD PRO 677 1HD PRO 677 181.903 4.705 12.059 654 2HD PRO 677 2HD PRO 677 180.865 6.110 11.752 655 H LEU 678 H LEU 678 183.508 4.649 7.068 656 HA LEU 678 HA LEU 678 185.110 2.573 8.290 657 1HB LEU 678 1HB LEU 678 184.609 3.143 5.374 658 2HB LEU 678 2HB LEU 678 185.358 1.701 6.032 659 HG LEU 678 HG LEU 678 182.513 2.544 6.582 660 1HD1 LEU 678 1HD1 LEU 678 183.727 1.062 4.368 661 2HD1 LEU 678 2HD1 LEU 678 182.157 1.858 4.482 662 3HD1 LEU 678 3HD1 LEU 678 182.374 0.239 5.145 663 1HD2 LEU 678 1HD2 LEU 678 183.278 -0.247 6.960 664 2HD2 LEU 678 2HD2 LEU 678 182.357 0.832 8.010 665 3HD2 LEU 678 3HD2 LEU 678 184.122 0.863 8.040 666 HA PRO 679 HA PRO 679 188.254 5.396 5.474 667 1HB PRO 679 1HB PRO 679 187.396 7.686 7.213 668 2HB PRO 679 2HB PRO 679 188.120 7.716 5.599 669 1HG PRO 679 1HG PRO 679 185.499 8.042 5.900 670 2HG PRO 679 2HG PRO 679 186.144 7.083 4.556 671 1HD PRO 679 1HD PRO 679 184.749 6.195 7.013 672 2HD PRO 679 2HD PRO 679 184.830 5.420 5.419 673 H GLY 680 H GLY 680 189.905 4.345 6.403 674 1HA GLY 680 1HA GLY 680 191.817 4.658 7.862 675 2HA GLY 680 2HA GLY 680 190.707 5.206 9.109 676 H ALA 681 H ALA 681 189.030 2.766 7.895 677 HA ALA 681 HA ALA 681 190.075 0.884 9.871 678 1HB ALA 681 1HB ALA 681 187.678 -0.040 8.619 679 2HB ALA 681 2HB ALA 681 187.482 1.652 9.075 680 3HB ALA 681 3HB ALA 681 187.938 0.460 10.290 681 H THR 682 H THR 682 191.078 -0.951 9.338 682 HA THR 682 HA THR 682 191.589 -1.497 6.542 683 HB THR 682 HB THR 682 193.491 -1.659 7.958 684 HG1 THR 682 HG1 THR 682 194.176 -3.634 7.416 685 1HG2 THR 682 1HG2 THR 682 193.208 -3.762 9.676 686 2HG2 THR 682 2HG2 THR 682 191.663 -2.925 9.824 687 3HG2 THR 682 3HG2 THR 682 193.170 -2.054 10.113 688 H ASN 683 H ASN 683 191.772 -4.061 6.152 689 HA ASN 683 HA ASN 683 189.262 -5.008 5.641 690 1HB ASN 683 1HB ASN 683 190.360 -7.322 5.650 691 2HB ASN 683 2HB ASN 683 191.056 -6.109 4.582 692 1HD2 ASN 683 1HD2 ASN 683 191.548 -8.135 7.302 693 2HD2 ASN 683 2HD2 ASN 683 193.207 -7.739 7.576 694 H GLU 684 H GLU 684 191.262 -5.950 8.443 695 HA GLU 684 HA GLU 684 189.363 -7.601 9.651 696 1HB GLU 684 1HB GLU 684 190.661 -7.187 11.758 697 2HB GLU 684 2HB GLU 684 191.636 -7.702 10.388 698 1HG GLU 684 1HG GLU 684 192.923 -5.928 10.632 699 2HG GLU 684 2HG GLU 684 191.537 -4.875 10.355 700 H GLU 685 H GLU 685 189.777 -4.119 9.790 701 HA GLU 685 HA GLU 685 188.051 -3.641 11.973 702 1HB GLU 685 1HB GLU 685 189.525 -2.083 10.088 703 2HB GLU 685 2HB GLU 685 187.871 -1.489 10.114 704 1HG GLU 685 1HG GLU 685 188.202 -0.460 12.042 705 2HG GLU 685 2HG GLU 685 188.798 -1.941 12.790 706 H VAL 686 H VAL 686 187.451 -3.199 8.490 707 HA VAL 686 HA VAL 686 184.731 -2.793 8.569 708 HB VAL 686 HB VAL 686 186.335 -4.236 6.457 709 1HG1 VAL 686 1HG1 VAL 686 183.568 -3.051 6.282 710 2HG1 VAL 686 2HG1 VAL 686 183.977 -4.767 6.225 711 3HG1 VAL 686 3HG1 VAL 686 184.498 -3.691 4.927 712 1HG2 VAL 686 1HG2 VAL 686 186.845 -2.218 5.543 713 2HG2 VAL 686 2HG2 VAL 686 186.697 -1.707 7.224 714 3HG2 VAL 686 3HG2 VAL 686 185.355 -1.462 6.105 715 H TYR 687 H TYR 687 186.498 -5.857 8.479 716 HA TYR 687 HA TYR 687 184.504 -7.688 8.122 717 1HB TYR 687 1HB TYR 687 186.956 -7.738 9.859 718 2HB TYR 687 2HB TYR 687 185.852 -9.107 9.846 719 HD1 TYR 687 HD1 TYR 687 186.187 -7.281 6.743 720 HD2 TYR 687 HD2 TYR 687 187.795 -10.464 9.058 721 HE1 TYR 687 HE1 TYR 687 187.316 -8.158 4.738 722 HE2 TYR 687 HE2 TYR 687 188.926 -11.352 7.064 723 HH TYR 687 HH TYR 687 189.525 -9.709 4.402 724 H ASN 688 H ASN 688 185.403 -6.125 11.164 725 HA ASN 688 HA ASN 688 183.413 -7.431 12.723 726 1HB ASN 688 1HB ASN 688 185.111 -4.981 13.187 727 2HB ASN 688 2HB ASN 688 183.935 -5.549 14.369 728 1HD2 ASN 688 1HD2 ASN 688 187.091 -5.720 13.384 729 2HD2 ASN 688 2HD2 ASN 688 187.562 -7.160 14.216 730 H ILE 689 H ILE 689 183.618 -4.259 11.158 731 HA ILE 689 HA ILE 689 181.239 -3.163 12.109 732 HB ILE 689 HB ILE 689 182.795 -2.716 9.574 733 1HG1 ILE 689 1HG1 ILE 689 182.790 -0.365 10.833 734 2HG1 ILE 689 2HG1 ILE 689 182.488 -1.397 12.226 735 1HG2 ILE 689 1HG2 ILE 689 181.342 -0.734 9.160 736 2HG2 ILE 689 2HG2 ILE 689 180.232 -1.351 10.383 737 3HG2 ILE 689 3HG2 ILE 689 180.530 -2.281 8.915 738 1HD1 ILE 689 1HD1 ILE 689 184.911 -0.758 11.593 739 2HD1 ILE 689 2HD1 ILE 689 184.739 -2.020 10.372 740 3HD1 ILE 689 3HD1 ILE 689 184.547 -2.413 12.080 741 H ILE 690 H ILE 690 181.722 -4.644 8.889 742 HA ILE 690 HA ILE 690 179.036 -4.747 8.183 743 HB ILE 690 HB ILE 690 181.241 -6.629 7.330 744 1HG1 ILE 690 1HG1 ILE 690 180.309 -3.930 6.391 745 2HG1 ILE 690 2HG1 ILE 690 181.947 -4.481 6.714 746 1HG2 ILE 690 1HG2 ILE 690 179.841 -7.089 5.379 747 2HG2 ILE 690 2HG2 ILE 690 178.575 -6.052 6.033 748 3HG2 ILE 690 3HG2 ILE 690 179.014 -7.541 6.869 749 1HD1 ILE 690 1HD1 ILE 690 181.090 -6.094 4.635 750 2HD1 ILE 690 2HD1 ILE 690 182.167 -4.702 4.523 751 3HD1 ILE 690 3HD1 ILE 690 180.435 -4.501 4.256 752 H LEU 691 H LEU 691 181.017 -7.457 9.438 753 HA LEU 691 HA LEU 691 179.061 -9.364 9.680 754 1HB LEU 691 1HB LEU 691 181.477 -8.770 11.344 755 2HB LEU 691 2HB LEU 691 180.402 -10.078 11.790 756 HG LEU 691 HG LEU 691 181.011 -11.388 10.009 757 1HD1 LEU 691 1HD1 LEU 691 181.916 -10.601 7.904 758 2HD1 LEU 691 2HD1 LEU 691 181.963 -8.949 8.518 759 3HD1 LEU 691 3HD1 LEU 691 180.413 -9.755 8.276 760 1HD2 LEU 691 1HD2 LEU 691 183.593 -10.566 9.581 761 2HD2 LEU 691 2HD2 LEU 691 183.044 -11.591 10.906 762 3HD2 LEU 691 3HD2 LEU 691 183.209 -9.852 11.147 763 H GLU 692 H GLU 692 179.934 -6.958 12.125 764 HA GLU 692 HA GLU 692 178.045 -7.676 14.053 765 1HB GLU 692 1HB GLU 692 179.472 -5.111 13.423 766 2HB GLU 692 2HB GLU 692 178.248 -5.157 14.684 767 1HG GLU 692 1HG GLU 692 180.401 -7.200 14.747 768 2HG GLU 692 2HG GLU 692 180.799 -5.544 15.205 769 H SER 693 H SER 693 177.718 -5.850 11.108 770 HA SER 693 HA SER 693 175.035 -4.961 11.813 771 1HB SER 693 1HB SER 693 175.265 -4.060 9.324 772 2HB SER 693 2HB SER 693 176.024 -3.224 10.678 773 HG SER 693 HG SER 693 177.965 -3.984 10.084 774 H LYS 694 H LYS 694 176.488 -7.637 10.334 775 HA LYS 694 HA LYS 694 174.704 -8.255 8.274 776 1HB LYS 694 1HB LYS 694 176.402 -9.958 10.077 777 2HB LYS 694 2HB LYS 694 175.352 -10.682 8.870 778 1HG LYS 694 1HG LYS 694 176.514 -9.298 7.145 779 2HG LYS 694 2HG LYS 694 177.656 -8.809 8.399 780 1HD LYS 694 1HD LYS 694 178.586 -10.912 8.559 781 2HD LYS 694 2HD LYS 694 177.134 -11.714 7.959 782 1HE LYS 694 1HE LYS 694 178.251 -9.925 5.980 783 2HE LYS 694 2HE LYS 694 179.438 -11.114 6.517 784 1HZ LYS 694 1HZ LYS 694 177.931 -12.877 5.958 785 2HZ LYS 694 2HZ LYS 694 178.100 -11.867 4.612 786 3HZ LYS 694 3HZ LYS 694 176.705 -11.779 5.564 787 H SER 695 H SER 695 174.268 -8.300 11.687 788 HA SER 695 HA SER 695 171.895 -9.998 11.490 789 1HB SER 695 1HB SER 695 172.662 -8.809 14.096 790 2HB SER 695 2HB SER 695 172.141 -10.449 13.713 791 HG SER 695 HG SER 695 174.224 -10.764 14.076 792 H GLU 696 H GLU 696 172.488 -6.856 10.930 793 HA GLU 696 HA GLU 696 170.263 -5.746 12.424 794 1HB GLU 696 1HB GLU 696 172.418 -4.634 10.681 795 2HB GLU 696 2HB GLU 696 170.949 -3.694 10.906 796 1HG GLU 696 1HG GLU 696 172.181 -4.754 13.359 797 2HG GLU 696 2HG GLU 696 173.102 -3.522 12.499 798 HA PRO 697 HA PRO 697 167.313 -6.795 9.238 799 1HB PRO 697 1HB PRO 697 165.804 -4.533 10.435 800 2HB PRO 697 2HB PRO 697 165.296 -6.200 10.148 801 1HG PRO 697 1HG PRO 697 165.868 -5.353 12.609 802 2HG PRO 697 2HG PRO 697 166.318 -6.984 12.076 803 1HD PRO 697 1HD PRO 697 168.026 -4.550 12.386 804 2HD PRO 697 2HD PRO 697 168.403 -6.248 12.744 805 H GLN 698 H GLN 698 168.773 -3.695 9.725 806 HA GLN 698 HA GLN 698 168.245 -3.045 6.921 807 1HB GLN 698 1HB GLN 698 166.633 -1.846 8.517 808 2HB GLN 698 2HB GLN 698 168.034 -0.922 9.043 809 1HG GLN 698 1HG GLN 698 167.955 -0.896 6.202 810 2HG GLN 698 2HG GLN 698 166.357 -0.472 6.814 811 1HE2 GLN 698 1HE2 GLN 698 166.057 1.600 7.151 812 2HE2 GLN 698 2HE2 GLN 698 167.273 2.761 7.545 813 H VAL 699 H VAL 699 169.790 -1.701 5.942 814 HA VAL 699 HA VAL 699 172.189 -1.073 7.507 815 HB VAL 699 HB VAL 699 172.154 -2.649 4.930 816 1HG1 VAL 699 1HG1 VAL 699 174.510 -1.424 6.362 817 2HG1 VAL 699 2HG1 VAL 699 173.899 -0.971 4.768 818 3HG1 VAL 699 3HG1 VAL 699 174.616 -2.566 5.022 819 1HG2 VAL 699 1HG2 VAL 699 173.760 -3.559 7.207 820 2HG2 VAL 699 2HG2 VAL 699 172.692 -4.464 6.134 821 3HG2 VAL 699 3HG2 VAL 699 172.020 -3.557 7.489 822 H GLU 700 H GLU 700 173.437 0.618 6.695 823 HA GLU 700 HA GLU 700 172.312 2.093 4.412 824 1HB GLU 700 1HB GLU 700 172.863 4.208 5.643 825 2HB GLU 700 2HB GLU 700 171.547 3.280 6.350 826 1HG GLU 700 1HG GLU 700 173.789 2.329 7.645 827 2HG GLU 700 2HG GLU 700 174.099 4.056 7.475 828 H ILE 701 H ILE 701 173.838 1.958 2.882 829 HA ILE 701 HA ILE 701 176.633 2.363 3.708 830 HB ILE 701 HB ILE 701 177.030 1.219 1.351 831 1HG1 ILE 701 1HG1 ILE 701 174.370 0.104 2.271 832 2HG1 ILE 701 2HG1 ILE 701 174.702 0.931 0.754 833 1HG2 ILE 701 1HG2 ILE 701 177.248 -0.948 2.558 834 2HG2 ILE 701 2HG2 ILE 701 176.440 -0.204 3.938 835 3HG2 ILE 701 3HG2 ILE 701 177.994 0.421 3.385 836 1HD1 ILE 701 1HD1 ILE 701 175.939 -0.887 -0.082 837 2HD1 ILE 701 2HD1 ILE 701 174.487 -1.579 0.649 838 3HD1 ILE 701 3HD1 ILE 701 176.030 -1.650 1.508 839 H ILE 702 H ILE 702 177.816 3.887 2.744 840 HA ILE 702 HA ILE 702 176.522 5.458 0.613 841 HB ILE 702 HB ILE 702 178.601 6.559 2.487 842 1HG1 ILE 702 1HG1 ILE 702 176.837 5.797 3.946 843 2HG1 ILE 702 2HG1 ILE 702 176.699 7.544 3.789 844 1HG2 ILE 702 1HG2 ILE 702 178.072 8.613 1.643 845 2HG2 ILE 702 2HG2 ILE 702 176.416 8.149 1.251 846 3HG2 ILE 702 3HG2 ILE 702 177.748 7.610 0.229 847 1HD1 ILE 702 1HD1 ILE 702 174.775 7.401 2.513 848 2HD1 ILE 702 2HD1 ILE 702 174.573 6.102 3.688 849 3HD1 ILE 702 3HD1 ILE 702 175.087 5.730 2.042 850 H VAL 703 H VAL 703 177.781 6.152 -1.123 851 HA VAL 703 HA VAL 703 180.506 5.046 -1.253 852 HB VAL 703 HB VAL 703 180.074 4.586 -3.694 853 1HG1 VAL 703 1HG1 VAL 703 179.028 2.430 -3.272 854 2HG1 VAL 703 2HG1 VAL 703 178.460 2.998 -1.701 855 3HG1 VAL 703 3HG1 VAL 703 180.189 2.824 -2.005 856 1HG2 VAL 703 1HG2 VAL 703 177.665 4.179 -4.273 857 2HG2 VAL 703 2HG2 VAL 703 178.111 5.876 -4.095 858 3HG2 VAL 703 3HG2 VAL 703 177.234 5.054 -2.804 859 H SER 704 H SER 704 181.526 5.887 -3.449 860 HA SER 704 HA SER 704 180.847 8.680 -3.940 861 1HB SER 704 1HB SER 704 183.158 9.439 -3.545 862 2HB SER 704 2HB SER 704 182.437 8.787 -2.074 863 HG SER 704 HG SER 704 184.115 7.313 -3.824 864 H ARG 705 H ARG 705 180.757 8.888 -6.069 865 HA ARG 705 HA ARG 705 182.553 7.245 -7.725 866 1HB ARG 705 1HB ARG 705 179.729 7.929 -7.927 867 2HB ARG 705 2HB ARG 705 180.602 8.289 -9.409 868 1HG ARG 705 1HG ARG 705 181.539 5.907 -9.193 869 2HG ARG 705 2HG ARG 705 180.223 5.653 -8.046 870 1HD ARG 705 1HD ARG 705 179.667 6.831 -10.738 871 2HD ARG 705 2HD ARG 705 179.874 5.089 -10.561 872 HE ARG 705 HE ARG 705 178.017 6.114 -8.667 873 1HH1 ARG 705 1HH1 ARG 705 178.351 5.216 -12.022 874 2HH1 ARG 705 2HH1 ARG 705 176.669 4.859 -12.225 875 1HH2 ARG 705 1HH2 ARG 705 175.804 5.644 -8.930 876 2HH2 ARG 705 2HH2 ARG 705 175.222 5.102 -10.469 877 H GLU 943 H GLU 943 189.943 -12.697 -5.133 878 HA GLU 943 HA GLU 943 190.333 -11.810 -3.082 879 1HB GLU 943 1HB GLU 943 191.494 -10.735 -5.031 880 2HB GLU 943 2HB GLU 943 190.282 -9.461 -4.989 881 1HG GLU 943 1HG GLU 943 191.002 -9.121 -2.556 882 2HG GLU 943 2HG GLU 943 192.412 -10.089 -2.982 883 H GLU 944 H GLU 944 187.785 -12.104 -2.594 884 HA GLU 944 HA GLU 944 186.494 -9.540 -2.145 885 1HB GLU 944 1HB GLU 944 185.616 -12.385 -1.656 886 2HB GLU 944 2HB GLU 944 184.644 -10.986 -1.221 887 1HG GLU 944 1HG GLU 944 183.931 -10.706 -3.301 888 2HG GLU 944 2HG GLU 944 185.555 -10.869 -3.967 889 H GLY 945 H GLY 945 185.182 -9.724 0.172 890 1HA GLY 945 1HA GLY 945 187.128 -10.429 2.248 891 2HA GLY 945 2HA GLY 945 186.618 -8.753 2.140 892 H ILE 946 H ILE 946 183.912 -8.973 1.681 893 HA ILE 946 HA ILE 946 182.903 -10.633 3.882 894 HB ILE 946 HB ILE 946 181.436 -8.175 3.885 895 1HG1 ILE 946 1HG1 ILE 946 183.777 -7.391 3.016 896 2HG1 ILE 946 2HG1 ILE 946 182.994 -6.506 4.315 897 1HG2 ILE 946 1HG2 ILE 946 182.770 -9.982 5.745 898 2HG2 ILE 946 2HG2 ILE 946 181.252 -9.101 5.907 899 3HG2 ILE 946 3HG2 ILE 946 182.780 -8.300 6.277 900 1HD1 ILE 946 1HD1 ILE 946 184.967 -8.678 4.877 901 2HD1 ILE 946 2HD1 ILE 946 184.425 -7.370 5.931 902 3HD1 ILE 946 3HD1 ILE 946 185.470 -7.018 4.551 903 H TRP 947 H TRP 947 180.713 -11.154 3.786 904 HA TRP 947 HA TRP 947 179.563 -10.968 1.100 905 1HB TRP 947 1HB TRP 947 179.548 -12.979 3.186 906 2HB TRP 947 2HB TRP 947 177.908 -12.584 2.679 907 HD1 TRP 947 HD1 TRP 947 179.987 -15.231 2.026 908 HE1 TRP 947 HE1 TRP 947 179.931 -16.079 -0.402 909 HE3 TRP 947 HE3 TRP 947 177.927 -11.126 -0.230 910 HZ2 TRP 947 HZ2 TRP 947 179.120 -15.137 -2.934 911 HZ3 TRP 947 HZ3 TRP 947 177.541 -11.184 -2.660 912 HH2 TRP 947 HH2 TRP 947 178.128 -13.151 -3.982 913 H ALA 948 H ALA 948 178.057 -9.500 0.706 914 HA ALA 948 HA ALA 948 176.114 -8.834 2.768 915 1HB ALA 948 1HB ALA 948 177.724 -7.159 3.223 916 2HB ALA 948 2HB ALA 948 176.450 -6.376 2.288 917 3HB ALA 948 3HB ALA 948 177.967 -6.824 1.508 Start of MODEL 15 1 H HIS 597 H HIS 597 163.323 1.916 -0.336 2 HA HIS 597 HA HIS 597 161.925 3.756 -2.148 3 1HB HIS 597 1HB HIS 597 163.682 4.109 0.293 4 2HB HIS 597 2HB HIS 597 163.042 5.428 -0.682 5 HD1 HIS 597 HD1 HIS 597 162.015 2.840 1.821 6 HD2 HIS 597 HD2 HIS 597 160.350 6.033 -0.253 7 HE1 HIS 597 HE1 HIS 597 159.787 3.261 2.910 8 HE2 HIS 597 HE2 HIS 597 158.766 5.147 1.589 9 HA PRO 598 HA PRO 598 165.549 3.838 -4.675 10 1HB PRO 598 1HB PRO 598 165.391 6.328 -5.709 11 2HB PRO 598 2HB PRO 598 164.270 5.040 -6.169 12 1HG PRO 598 1HG PRO 598 163.886 7.280 -4.221 13 2HG PRO 598 2HG PRO 598 162.762 6.654 -5.441 14 1HD PRO 598 1HD PRO 598 162.610 5.995 -2.807 15 2HD PRO 598 2HD PRO 598 162.094 4.904 -4.108 16 H VAL 599 H VAL 599 167.534 5.169 -5.111 17 HA VAL 599 HA VAL 599 168.493 6.316 -2.583 18 HB VAL 599 HB VAL 599 169.853 4.839 -4.798 19 1HG1 VAL 599 1HG1 VAL 599 171.202 6.816 -4.722 20 2HG1 VAL 599 2HG1 VAL 599 172.059 5.543 -3.855 21 3HG1 VAL 599 3HG1 VAL 599 171.213 6.803 -2.958 22 1HG2 VAL 599 1HG2 VAL 599 169.885 4.739 -1.794 23 2HG2 VAL 599 2HG2 VAL 599 170.964 3.781 -2.807 24 3HG2 VAL 599 3HG2 VAL 599 169.219 3.548 -2.910 25 H THR 600 H THR 600 169.775 8.203 -2.588 26 HA THR 600 HA THR 600 169.454 9.892 -4.981 27 HB THR 600 HB THR 600 169.475 11.777 -3.115 28 HG1 THR 600 HG1 THR 600 168.372 11.071 -1.270 29 1HG2 THR 600 1HG2 THR 600 167.070 10.137 -3.852 30 2HG2 THR 600 2HG2 THR 600 167.639 11.623 -4.612 31 3HG2 THR 600 3HG2 THR 600 166.992 11.663 -2.972 32 H TRP 601 H TRP 601 171.084 11.474 -5.341 33 HA TRP 601 HA TRP 601 173.569 11.072 -3.820 34 1HB TRP 601 1HB TRP 601 173.403 11.329 -6.829 35 2HB TRP 601 2HB TRP 601 174.868 11.116 -5.878 36 HD1 TRP 601 HD1 TRP 601 171.571 9.154 -6.502 37 HE1 TRP 601 HE1 TRP 601 172.146 6.646 -6.544 38 HE3 TRP 601 HE3 TRP 601 176.568 9.451 -5.463 39 HZ2 TRP 601 HZ2 TRP 601 174.418 5.010 -6.185 40 HZ3 TRP 601 HZ3 TRP 601 177.871 7.367 -5.331 41 HH2 TRP 601 HH2 TRP 601 176.816 5.193 -5.684 42 H GLN 602 H GLN 602 174.582 12.897 -3.234 43 HA GLN 602 HA GLN 602 173.689 15.416 -4.473 44 1HB GLN 602 1HB GLN 602 174.204 16.470 -2.245 45 2HB GLN 602 2HB GLN 602 172.829 15.375 -2.249 46 1HG GLN 602 1HG GLN 602 174.043 13.686 -1.141 47 2HG GLN 602 2HG GLN 602 175.577 14.510 -1.412 48 1HE2 GLN 602 1HE2 GLN 602 176.225 14.790 0.647 49 2HE2 GLN 602 2HE2 GLN 602 175.370 15.722 1.822 50 HA PRO 603 HA PRO 603 177.890 16.130 -5.646 51 1HB PRO 603 1HB PRO 603 177.912 18.879 -5.492 52 2HB PRO 603 2HB PRO 603 177.266 17.961 -6.856 53 1HG PRO 603 1HG PRO 603 175.820 19.193 -4.544 54 2HG PRO 603 2HG PRO 603 175.370 19.160 -6.261 55 1HD PRO 603 1HD PRO 603 174.232 17.505 -4.489 56 2HD PRO 603 2HD PRO 603 174.598 16.975 -6.143 57 H SER 604 H SER 604 179.795 16.263 -4.645 58 HA SER 604 HA SER 604 179.964 16.374 -1.849 59 1HB SER 604 1HB SER 604 181.603 15.274 -3.452 60 2HB SER 604 2HB SER 604 182.270 16.882 -3.735 61 HG SER 604 HG SER 604 182.017 15.739 -1.155 62 H LYS 605 H LYS 605 181.704 17.910 -0.806 63 HA LYS 605 HA LYS 605 180.575 20.472 -0.715 64 1HB LYS 605 1HB LYS 605 182.698 19.044 0.612 65 2HB LYS 605 2HB LYS 605 183.206 20.690 0.260 66 1HG LYS 605 1HG LYS 605 181.582 21.623 1.606 67 2HG LYS 605 2HG LYS 605 180.546 20.196 1.521 68 1HD LYS 605 1HD LYS 605 181.429 19.420 3.408 69 2HD LYS 605 2HD LYS 605 183.038 19.443 2.686 70 1HE LYS 605 1HE LYS 605 182.981 20.769 4.729 71 2HE LYS 605 2HE LYS 605 183.296 21.788 3.325 72 1HZ LYS 605 1HZ LYS 605 180.701 22.041 3.404 73 2HZ LYS 605 2HZ LYS 605 181.701 23.006 4.368 74 3HZ LYS 605 3HZ LYS 605 180.926 21.661 5.038 75 H GLU 606 H GLU 606 183.707 19.453 -2.038 76 HA GLU 606 HA GLU 606 184.408 21.952 -3.102 77 1HB GLU 606 1HB GLU 606 185.281 19.270 -4.177 78 2HB GLU 606 2HB GLU 606 186.139 20.799 -4.303 79 1HG GLU 606 1HG GLU 606 186.361 20.801 -1.824 80 2HG GLU 606 2HG GLU 606 185.661 19.184 -1.812 81 H GLY 607 H GLY 607 182.347 19.421 -4.333 82 1HA GLY 607 1HA GLY 607 180.756 19.704 -6.030 83 2HA GLY 607 2HA GLY 607 181.587 21.167 -6.537 84 H ASP 608 H ASP 608 183.165 18.086 -6.016 85 HA ASP 608 HA ASP 608 183.516 17.805 -8.925 86 1HB ASP 608 1HB ASP 608 185.585 17.668 -6.747 87 2HB ASP 608 2HB ASP 608 185.830 16.846 -8.285 88 H ARG 609 H ARG 609 182.889 16.312 -5.872 89 HA ARG 609 HA ARG 609 182.863 13.667 -7.169 90 1HB ARG 609 1HB ARG 609 184.202 14.401 -4.889 91 2HB ARG 609 2HB ARG 609 182.718 13.719 -4.237 92 1HG ARG 609 1HG ARG 609 183.561 11.695 -4.499 93 2HG ARG 609 2HG ARG 609 183.602 11.953 -6.244 94 1HD ARG 609 1HD ARG 609 185.810 11.522 -5.884 95 2HD ARG 609 2HD ARG 609 185.816 13.267 -5.627 96 HE ARG 609 HE ARG 609 185.354 11.745 -3.232 97 1HH1 ARG 609 1HH1 ARG 609 187.787 13.084 -5.346 98 2HH1 ARG 609 2HH1 ARG 609 189.005 13.138 -4.116 99 1HH2 ARG 609 1HH2 ARG 609 186.954 11.816 -1.613 100 2HH2 ARG 609 2HH2 ARG 609 188.532 12.417 -1.996 101 H LEU 610 H LEU 610 181.118 12.249 -6.697 102 HA LEU 610 HA LEU 610 178.676 13.648 -5.823 103 1HB LEU 610 1HB LEU 610 179.245 12.291 -8.240 104 2HB LEU 610 2HB LEU 610 178.101 11.295 -7.361 105 HG LEU 610 HG LEU 610 177.005 12.855 -8.924 106 1HD1 LEU 610 1HD1 LEU 610 175.457 12.356 -7.359 107 2HD1 LEU 610 2HD1 LEU 610 175.658 14.059 -6.945 108 3HD1 LEU 610 3HD1 LEU 610 176.503 12.821 -6.017 109 1HD2 LEU 610 1HD2 LEU 610 177.335 15.241 -7.328 110 2HD2 LEU 610 2HD2 LEU 610 177.528 15.011 -9.065 111 3HD2 LEU 610 3HD2 LEU 610 178.875 14.680 -7.976 112 H ILE 611 H ILE 611 178.033 12.995 -3.887 113 HA ILE 611 HA ILE 611 178.604 10.234 -3.056 114 HB ILE 611 HB ILE 611 177.721 12.450 -1.222 115 1HG1 ILE 611 1HG1 ILE 611 179.730 13.267 -2.291 116 2HG1 ILE 611 2HG1 ILE 611 180.137 12.741 -0.662 117 1HG2 ILE 611 1HG2 ILE 611 179.347 10.795 0.190 118 2HG2 ILE 611 2HG2 ILE 611 178.603 9.667 -0.945 119 3HG2 ILE 611 3HG2 ILE 611 177.590 10.651 0.112 120 1HD1 ILE 611 1HD1 ILE 611 180.515 10.951 -3.033 121 2HD1 ILE 611 2HD1 ILE 611 181.250 10.840 -1.434 122 3HD1 ILE 611 3HD1 ILE 611 181.735 12.125 -2.540 123 H GLY 612 H GLY 612 177.006 8.900 -2.269 124 1HA GLY 612 1HA GLY 612 174.247 9.925 -2.327 125 2HA GLY 612 2HA GLY 612 174.658 8.492 -3.257 126 H ARG 613 H ARG 613 172.693 8.564 -1.237 127 HA ARG 613 HA ARG 613 173.943 6.999 0.920 128 1HB ARG 613 1HB ARG 613 172.651 9.035 1.586 129 2HB ARG 613 2HB ARG 613 171.211 8.293 0.902 130 1HG ARG 613 1HG ARG 613 170.953 6.867 2.632 131 2HG ARG 613 2HG ARG 613 172.690 6.688 2.888 132 1HD ARG 613 1HD ARG 613 172.768 8.370 4.376 133 2HD ARG 613 2HD ARG 613 171.649 9.370 3.450 134 HE ARG 613 HE ARG 613 170.408 7.139 4.779 135 1HH1 ARG 613 1HH1 ARG 613 171.409 10.469 5.083 136 2HH1 ARG 613 2HH1 ARG 613 170.279 10.823 6.346 137 1HH2 ARG 613 1HH2 ARG 613 168.922 7.605 6.441 138 2HH2 ARG 613 2HH2 ARG 613 168.868 9.198 7.119 139 H VAL 614 H VAL 614 173.713 4.846 0.772 140 HA VAL 614 HA VAL 614 171.406 3.837 -0.745 141 HB VAL 614 HB VAL 614 174.058 2.473 -0.282 142 1HG1 VAL 614 1HG1 VAL 614 172.759 0.662 -0.667 143 2HG1 VAL 614 2HG1 VAL 614 172.947 1.163 -2.347 144 3HG1 VAL 614 3HG1 VAL 614 171.492 1.603 -1.454 145 1HG2 VAL 614 1HG2 VAL 614 173.853 4.556 -1.854 146 2HG2 VAL 614 2HG2 VAL 614 173.103 3.397 -2.952 147 3HG2 VAL 614 3HG2 VAL 614 174.748 3.128 -2.375 148 H ILE 615 H ILE 615 169.908 2.777 0.325 149 HA ILE 615 HA ILE 615 170.569 1.663 2.968 150 HB ILE 615 HB ILE 615 167.750 2.071 2.040 151 1HG1 ILE 615 1HG1 ILE 615 168.915 4.222 1.654 152 2HG1 ILE 615 2HG1 ILE 615 167.734 4.331 2.957 153 1HG2 ILE 615 1HG2 ILE 615 167.662 0.990 4.038 154 2HG2 ILE 615 2HG2 ILE 615 167.730 2.650 4.630 155 3HG2 ILE 615 3HG2 ILE 615 169.193 1.665 4.597 156 1HD1 ILE 615 1HD1 ILE 615 169.983 3.701 4.333 157 2HD1 ILE 615 2HD1 ILE 615 169.393 5.341 4.058 158 3HD1 ILE 615 3HD1 ILE 615 170.639 4.664 3.009 159 H LEU 616 H LEU 616 170.854 -0.469 2.957 160 HA LEU 616 HA LEU 616 169.240 -2.073 1.090 161 1HB LEU 616 1HB LEU 616 172.106 -1.959 1.501 162 2HB LEU 616 2HB LEU 616 171.491 -3.586 1.733 163 HG LEU 616 HG LEU 616 170.761 -2.005 -0.710 164 1HD1 LEU 616 1HD1 LEU 616 173.391 -2.713 -0.031 165 2HD1 LEU 616 2HD1 LEU 616 172.785 -2.163 -1.594 166 3HD1 LEU 616 3HD1 LEU 616 172.851 -3.887 -1.231 167 1HD2 LEU 616 1HD2 LEU 616 170.000 -4.479 0.295 168 2HD2 LEU 616 2HD2 LEU 616 171.172 -4.850 -0.972 169 3HD2 LEU 616 3HD2 LEU 616 169.752 -3.878 -1.344 170 H ASN 617 H ASN 617 168.565 -4.138 1.784 171 HA ASN 617 HA ASN 617 168.750 -4.604 4.683 172 1HB ASN 617 1HB ASN 617 166.298 -4.615 2.936 173 2HB ASN 617 2HB ASN 617 166.341 -5.452 4.486 174 1HD2 ASN 617 1HD2 ASN 617 165.632 -4.336 6.146 175 2HD2 ASN 617 2HD2 ASN 617 165.600 -2.614 6.281 176 H LYS 618 H LYS 618 168.808 -6.744 5.342 177 HA LYS 618 HA LYS 618 169.240 -8.688 3.181 178 1HB LYS 618 1HB LYS 618 170.248 -9.989 5.277 179 2HB LYS 618 2HB LYS 618 171.193 -8.834 4.350 180 1HG LYS 618 1HG LYS 618 170.785 -7.115 5.996 181 2HG LYS 618 2HG LYS 618 169.721 -8.195 6.898 182 1HD LYS 618 1HD LYS 618 171.887 -8.131 7.967 183 2HD LYS 618 2HD LYS 618 171.637 -9.723 7.250 184 1HE LYS 618 1HE LYS 618 172.838 -8.335 5.215 185 2HE LYS 618 2HE LYS 618 173.634 -7.678 6.643 186 1HZ LYS 618 1HZ LYS 618 174.894 -9.528 5.979 187 2HZ LYS 618 2HZ LYS 618 173.529 -10.500 5.753 188 3HZ LYS 618 3HZ LYS 618 174.005 -10.062 7.316 189 H ARG 619 H ARG 619 167.355 -7.992 6.019 190 HA ARG 619 HA ARG 619 166.282 -10.586 6.409 191 1HB ARG 619 1HB ARG 619 166.121 -8.108 7.699 192 2HB ARG 619 2HB ARG 619 164.471 -8.473 7.214 193 1HG ARG 619 1HG ARG 619 165.871 -10.739 8.410 194 2HG ARG 619 2HG ARG 619 165.694 -9.355 9.490 195 1HD ARG 619 1HD ARG 619 163.495 -10.796 8.011 196 2HD ARG 619 2HD ARG 619 163.798 -10.827 9.748 197 HE ARG 619 HE ARG 619 163.437 -8.199 9.239 198 1HH1 ARG 619 1HH1 ARG 619 161.567 -11.047 8.481 199 2HH1 ARG 619 2HH1 ARG 619 160.051 -10.213 8.521 200 1HH2 ARG 619 1HH2 ARG 619 161.443 -7.101 9.291 201 2HH2 ARG 619 2HH2 ARG 619 159.979 -7.974 8.980 202 H THR 620 H THR 620 165.073 -7.723 4.673 203 HA THR 620 HA THR 620 162.606 -8.792 3.895 204 HB THR 620 HB THR 620 163.108 -6.417 3.690 205 HG1 THR 620 HG1 THR 620 162.625 -7.604 1.160 206 1HG2 THR 620 1HG2 THR 620 165.512 -6.850 2.873 207 2HG2 THR 620 2HG2 THR 620 164.625 -5.463 2.239 208 3HG2 THR 620 3HG2 THR 620 164.778 -6.929 1.272 209 H THR 621 H THR 621 161.964 -10.114 2.275 210 HA THR 621 HA THR 621 163.879 -11.801 1.053 211 HB THR 621 HB THR 621 161.030 -11.527 0.126 212 HG1 THR 621 HG1 THR 621 161.924 -13.027 2.358 213 1HG2 THR 621 1HG2 THR 621 163.120 -13.367 -0.412 214 2HG2 THR 621 2HG2 THR 621 161.457 -13.371 -1.005 215 3HG2 THR 621 3HG2 THR 621 161.858 -14.200 0.499 216 H MET 622 H MET 622 164.441 -12.044 -1.103 217 HA MET 622 HA MET 622 164.232 -9.582 -2.690 218 1HB MET 622 1HB MET 622 166.232 -10.432 -3.881 219 2HB MET 622 2HB MET 622 166.507 -10.207 -2.162 220 1HG MET 622 1HG MET 622 165.653 -12.881 -3.112 221 2HG MET 622 2HG MET 622 167.306 -12.372 -3.441 222 1HE MET 622 1HE MET 622 167.053 -10.535 -0.216 223 2HE MET 622 2HE MET 622 168.367 -10.851 -1.349 224 3HE MET 622 3HE MET 622 168.427 -11.523 0.281 225 HA PRO 623 HA PRO 623 161.980 -11.487 -5.962 226 1HB PRO 623 1HB PRO 623 163.929 -10.675 -8.005 227 2HB PRO 623 2HB PRO 623 162.266 -10.133 -7.764 228 1HG PRO 623 1HG PRO 623 164.369 -8.538 -7.250 229 2HG PRO 623 2HG PRO 623 162.880 -8.469 -6.292 230 1HD PRO 623 1HD PRO 623 165.494 -9.784 -5.643 231 2HD PRO 623 2HD PRO 623 164.419 -8.835 -4.593 232 H LYS 624 H LYS 624 165.473 -11.963 -6.540 233 HA LYS 624 HA LYS 624 165.071 -14.403 -7.985 234 1HB LYS 624 1HB LYS 624 167.605 -14.606 -7.648 235 2HB LYS 624 2HB LYS 624 167.021 -13.236 -8.581 236 1HG LYS 624 1HG LYS 624 167.924 -11.783 -7.170 237 2HG LYS 624 2HG LYS 624 167.202 -12.584 -5.774 238 1HD LYS 624 1HD LYS 624 169.701 -13.535 -7.169 239 2HD LYS 624 2HD LYS 624 169.696 -12.501 -5.738 240 1HE LYS 624 1HE LYS 624 169.902 -14.542 -4.738 241 2HE LYS 624 2HE LYS 624 168.146 -14.412 -4.789 242 1HZ LYS 624 1HZ LYS 624 167.981 -16.042 -6.316 243 2HZ LYS 624 2HZ LYS 624 169.477 -16.520 -5.689 244 3HZ LYS 624 3HZ LYS 624 169.410 -15.613 -7.115 245 H GLU 625 H GLU 625 165.938 -13.542 -4.709 246 HA GLU 625 HA GLU 625 166.001 -14.699 -2.760 247 1HB GLU 625 1HB GLU 625 164.027 -16.130 -4.399 248 2HB GLU 625 2HB GLU 625 164.718 -17.083 -3.092 249 1HG GLU 625 1HG GLU 625 164.157 -14.705 -1.857 250 2HG GLU 625 2HG GLU 625 162.829 -14.867 -3.006 251 H SER 626 H SER 626 167.649 -15.698 -1.884 252 HA SER 626 HA SER 626 168.751 -18.106 -3.104 253 1HB SER 626 1HB SER 626 170.108 -15.482 -3.006 254 2HB SER 626 2HB SER 626 171.076 -16.851 -2.462 255 HG SER 626 HG SER 626 171.380 -16.758 -4.627 256 H GLY 627 H GLY 627 168.974 -15.758 -0.449 257 1HA GLY 627 1HA GLY 627 168.665 -16.343 1.827 258 2HA GLY 627 2HA GLY 627 169.084 -18.003 1.431 259 H ALA 628 H ALA 628 170.475 -14.735 1.631 260 HA ALA 628 HA ALA 628 172.763 -15.797 3.025 261 1HB ALA 628 1HB ALA 628 173.110 -14.557 0.299 262 2HB ALA 628 2HB ALA 628 173.498 -16.209 0.777 263 3HB ALA 628 3HB ALA 628 174.422 -14.862 1.438 264 H LEU 629 H LEU 629 173.127 -12.851 1.192 265 HA LEU 629 HA LEU 629 172.646 -11.322 3.661 266 1HB LEU 629 1HB LEU 629 174.471 -10.224 1.612 267 2HB LEU 629 2HB LEU 629 174.542 -10.092 3.352 268 HG LEU 629 HG LEU 629 176.420 -11.329 2.827 269 1HD1 LEU 629 1HD1 LEU 629 176.152 -13.067 4.156 270 2HD1 LEU 629 2HD1 LEU 629 174.958 -13.812 3.093 271 3HD1 LEU 629 3HD1 LEU 629 174.459 -12.581 4.254 272 1HD2 LEU 629 1HD2 LEU 629 174.871 -13.066 0.934 273 2HD2 LEU 629 2HD2 LEU 629 176.615 -13.008 1.167 274 3HD2 LEU 629 3HD2 LEU 629 175.777 -11.638 0.440 275 H LEU 630 H LEU 630 173.366 -8.961 1.587 276 HA LEU 630 HA LEU 630 170.557 -8.493 0.979 277 1HB LEU 630 1HB LEU 630 171.910 -6.267 0.074 278 2HB LEU 630 2HB LEU 630 171.096 -6.430 1.614 279 HG LEU 630 HG LEU 630 174.001 -7.078 1.208 280 1HD1 LEU 630 1HD1 LEU 630 173.005 -4.586 0.931 281 2HD1 LEU 630 2HD1 LEU 630 174.615 -4.950 1.549 282 3HD1 LEU 630 3HD1 LEU 630 173.289 -4.641 2.670 283 1HD2 LEU 630 1HD2 LEU 630 172.153 -7.358 3.398 284 2HD2 LEU 630 2HD2 LEU 630 173.519 -6.330 3.830 285 3HD2 LEU 630 3HD2 LEU 630 173.800 -7.962 3.225 286 H GLY 631 H GLY 631 173.532 -7.741 -0.910 287 1HA GLY 631 1HA GLY 631 172.853 -9.428 -3.063 288 2HA GLY 631 2HA GLY 631 172.186 -7.840 -3.375 289 H LEU 632 H LEU 632 175.227 -8.003 -1.651 290 HA LEU 632 HA LEU 632 176.833 -7.947 -4.018 291 1HB LEU 632 1HB LEU 632 177.583 -5.696 -3.997 292 2HB LEU 632 2HB LEU 632 175.839 -5.684 -4.061 293 HG LEU 632 HG LEU 632 176.642 -3.900 -2.651 294 1HD1 LEU 632 1HD1 LEU 632 174.793 -4.171 -1.496 295 2HD1 LEU 632 2HD1 LEU 632 175.654 -5.235 -0.388 296 3HD1 LEU 632 3HD1 LEU 632 174.819 -5.908 -1.785 297 1HD2 LEU 632 1HD2 LEU 632 177.652 -5.618 -0.501 298 2HD2 LEU 632 2HD2 LEU 632 178.224 -4.053 -1.078 299 3HD2 LEU 632 3HD2 LEU 632 178.675 -5.525 -1.934 300 H LYS 633 H LYS 633 179.029 -8.178 -3.635 301 HA LYS 633 HA LYS 633 179.703 -8.771 -0.843 302 1HB LYS 633 1HB LYS 633 180.336 -9.994 -3.349 303 2HB LYS 633 2HB LYS 633 181.834 -9.435 -2.621 304 1HG LYS 633 1HG LYS 633 180.540 -10.630 -0.516 305 2HG LYS 633 2HG LYS 633 180.117 -11.658 -1.885 306 1HD LYS 633 1HD LYS 633 182.947 -10.823 -1.662 307 2HD LYS 633 2HD LYS 633 182.361 -11.979 -0.464 308 1HE LYS 633 1HE LYS 633 182.759 -13.562 -1.982 309 2HE LYS 633 2HE LYS 633 181.358 -12.943 -2.853 310 1HZ LYS 633 1HZ LYS 633 183.492 -11.313 -3.533 311 2HZ LYS 633 2HZ LYS 633 182.719 -12.455 -4.513 312 3HZ LYS 633 3HZ LYS 633 184.080 -12.899 -3.611 313 H VAL 634 H VAL 634 181.141 -7.556 0.276 314 HA VAL 634 HA VAL 634 182.502 -5.406 -1.214 315 HB VAL 634 HB VAL 634 181.144 -5.400 1.446 316 1HG1 VAL 634 1HG1 VAL 634 182.360 -3.292 2.019 317 2HG1 VAL 634 2HG1 VAL 634 183.490 -3.652 0.712 318 3HG1 VAL 634 3HG1 VAL 634 183.360 -4.745 2.089 319 1HG2 VAL 634 1HG2 VAL 634 181.002 -3.987 -1.099 320 2HG2 VAL 634 2HG2 VAL 634 180.954 -2.915 0.300 321 3HG2 VAL 634 3HG2 VAL 634 179.770 -4.214 0.144 322 H VAL 635 H VAL 635 184.544 -4.729 -0.500 323 HA VAL 635 HA VAL 635 186.016 -6.779 1.013 324 HB VAL 635 HB VAL 635 186.541 -5.531 -1.573 325 1HG1 VAL 635 1HG1 VAL 635 188.138 -4.200 -0.317 326 2HG1 VAL 635 2HG1 VAL 635 188.969 -5.378 -1.332 327 3HG1 VAL 635 3HG1 VAL 635 188.816 -5.662 0.401 328 1HG2 VAL 635 1HG2 VAL 635 188.128 -7.777 -0.489 329 2HG2 VAL 635 2HG2 VAL 635 187.356 -7.583 -2.064 330 3HG2 VAL 635 3HG2 VAL 635 186.387 -8.007 -0.651 331 H GLY 636 H GLY 636 187.946 -5.968 2.171 332 1HA GLY 636 1HA GLY 636 187.759 -3.128 2.912 333 2HA GLY 636 2HA GLY 636 187.671 -4.347 4.175 334 H GLY 637 H GLY 637 189.642 -2.198 3.711 335 1HA GLY 637 1HA GLY 637 191.895 -2.077 4.281 336 2HA GLY 637 2HA GLY 637 192.002 -3.824 4.122 337 H LYS 638 H LYS 638 191.174 -1.148 1.915 338 HA LYS 638 HA LYS 638 193.205 -2.202 0.059 339 1HB LYS 638 1HB LYS 638 190.538 -0.941 -0.599 340 2HB LYS 638 2HB LYS 638 191.765 -1.361 -1.786 341 1HG LYS 638 1HG LYS 638 190.460 -3.345 0.063 342 2HG LYS 638 2HG LYS 638 189.922 -3.014 -1.586 343 1HD LYS 638 1HD LYS 638 191.620 -4.174 -2.505 344 2HD LYS 638 2HD LYS 638 192.789 -3.596 -1.316 345 1HE LYS 638 1HE LYS 638 191.585 -5.161 0.327 346 2HE LYS 638 2HE LYS 638 190.875 -5.898 -1.109 347 1HZ LYS 638 1HZ LYS 638 192.713 -7.166 -0.991 348 2HZ LYS 638 2HZ LYS 638 193.602 -6.022 -0.118 349 3HZ LYS 638 3HZ LYS 638 193.442 -5.868 -1.795 350 H MET 639 H MET 639 194.851 -0.822 0.590 351 HA MET 639 HA MET 639 194.621 1.920 1.104 352 1HB MET 639 1HB MET 639 196.626 0.412 1.528 353 2HB MET 639 2HB MET 639 197.019 0.610 -0.174 354 1HG MET 639 1HG MET 639 198.133 2.444 0.342 355 2HG MET 639 2HG MET 639 196.609 3.194 0.816 356 1HE MET 639 1HE MET 639 196.011 3.740 3.476 357 2HE MET 639 2HE MET 639 196.424 2.457 4.611 358 3HE MET 639 3HE MET 639 195.536 2.076 3.137 359 H THR 640 H THR 640 193.779 3.384 -0.223 360 HA THR 640 HA THR 640 193.702 3.040 -3.059 361 HB THR 640 HB THR 640 192.940 5.587 -2.786 362 HG1 THR 640 HG1 THR 640 192.726 6.159 -0.796 363 1HG2 THR 640 1HG2 THR 640 191.517 3.646 -3.473 364 2HG2 THR 640 2HG2 THR 640 190.691 4.902 -2.552 365 3HG2 THR 640 3HG2 THR 640 191.162 3.396 -1.763 366 H ASP 641 H ASP 641 194.245 5.201 -4.354 367 HA ASP 641 HA ASP 641 197.061 5.335 -4.481 368 1HB ASP 641 1HB ASP 641 194.882 6.990 -5.750 369 2HB ASP 641 2HB ASP 641 196.592 7.260 -6.080 370 H LEU 642 H LEU 642 194.757 7.076 -2.623 371 HA LEU 642 HA LEU 642 196.437 9.384 -2.189 372 1HB LEU 642 1HB LEU 642 194.034 8.652 -0.551 373 2HB LEU 642 2HB LEU 642 194.673 10.247 -0.906 374 HG LEU 642 HG LEU 642 193.539 8.512 -3.078 375 1HD1 LEU 642 1HD1 LEU 642 191.823 10.611 -1.937 376 2HD1 LEU 642 2HD1 LEU 642 192.019 9.155 -0.959 377 3HD1 LEU 642 3HD1 LEU 642 191.406 9.034 -2.609 378 1HD2 LEU 642 1HD2 LEU 642 193.489 11.491 -2.936 379 2HD2 LEU 642 2HD2 LEU 642 193.500 10.433 -4.347 380 3HD2 LEU 642 3HD2 LEU 642 194.970 10.651 -3.396 381 H GLY 643 H GLY 643 195.444 6.514 -0.411 382 1HA GLY 643 1HA GLY 643 197.280 5.520 0.961 383 2HA GLY 643 2HA GLY 643 197.521 7.138 1.599 384 H ARG 644 H ARG 644 194.256 6.246 1.048 385 HA ARG 644 HA ARG 644 193.912 5.785 3.936 386 1HB ARG 644 1HB ARG 644 192.116 7.135 1.924 387 2HB ARG 644 2HB ARG 644 191.547 6.624 3.507 388 1HG ARG 644 1HG ARG 644 193.983 8.296 3.440 389 2HG ARG 644 2HG ARG 644 192.458 9.075 3.017 390 1HD ARG 644 1HD ARG 644 191.481 8.337 5.122 391 2HD ARG 644 2HD ARG 644 192.979 7.507 5.540 392 HE ARG 644 HE ARG 644 193.773 10.064 5.139 393 1HH1 ARG 644 1HH1 ARG 644 191.286 8.610 7.108 394 2HH1 ARG 644 2HH1 ARG 644 191.359 9.836 8.328 395 1HH2 ARG 644 1HH2 ARG 644 193.872 11.678 6.743 396 2HH2 ARG 644 2HH2 ARG 644 192.828 11.578 8.121 397 H LEU 645 H LEU 645 192.642 4.100 4.628 398 HA LEU 645 HA LEU 645 192.173 2.006 2.677 399 1HB LEU 645 1HB LEU 645 192.195 2.158 5.664 400 2HB LEU 645 2HB LEU 645 191.384 0.815 4.881 401 HG LEU 645 HG LEU 645 194.307 1.534 4.692 402 1HD1 LEU 645 1HD1 LEU 645 192.981 0.070 6.584 403 2HD1 LEU 645 2HD1 LEU 645 194.689 -0.093 6.176 404 3HD1 LEU 645 3HD1 LEU 645 193.502 -1.170 5.444 405 1HD2 LEU 645 1HD2 LEU 645 193.946 -0.917 3.466 406 2HD2 LEU 645 2HD2 LEU 645 194.281 0.616 2.661 407 3HD2 LEU 645 3HD2 LEU 645 192.617 0.062 2.846 408 H GLY 646 H GLY 646 190.195 1.040 2.241 409 1HA GLY 646 1HA GLY 646 187.780 2.088 3.465 410 2HA GLY 646 2HA GLY 646 187.994 2.497 1.770 411 H ALA 647 H ALA 647 186.002 1.318 1.436 412 HA ALA 647 HA ALA 647 186.492 -1.580 1.234 413 1HB ALA 647 1HB ALA 647 183.824 -1.563 1.477 414 2HB ALA 647 2HB ALA 647 184.215 -0.152 2.460 415 3HB ALA 647 3HB ALA 647 184.917 -1.721 2.852 416 H PHE 648 H PHE 648 185.709 -2.622 -0.584 417 HA PHE 648 HA PHE 648 184.388 -0.971 -2.618 418 1HB PHE 648 1HB PHE 648 186.819 -2.708 -3.098 419 2HB PHE 648 2HB PHE 648 185.884 -1.905 -4.355 420 HD1 PHE 648 HD1 PHE 648 188.088 -1.345 -1.450 421 HD2 PHE 648 HD2 PHE 648 186.227 0.371 -4.870 422 HE1 PHE 648 HE1 PHE 648 189.490 0.662 -1.200 423 HE2 PHE 648 HE2 PHE 648 187.626 2.381 -4.628 424 HZ PHE 648 HZ PHE 648 189.261 2.527 -2.791 425 H ILE 649 H ILE 649 182.984 -2.063 -3.969 426 HA ILE 649 HA ILE 649 182.057 -4.609 -2.994 427 HB ILE 649 HB ILE 649 181.101 -2.908 -5.303 428 1HG1 ILE 649 1HG1 ILE 649 179.490 -3.373 -2.845 429 2HG1 ILE 649 2HG1 ILE 649 180.880 -2.299 -2.705 430 1HG2 ILE 649 1HG2 ILE 649 180.046 -5.483 -4.175 431 2HG2 ILE 649 2HG2 ILE 649 180.431 -5.089 -5.850 432 3HG2 ILE 649 3HG2 ILE 649 179.024 -4.362 -5.074 433 1HD1 ILE 649 1HD1 ILE 649 178.743 -1.957 -4.787 434 2HD1 ILE 649 2HD1 ILE 649 179.998 -0.810 -4.318 435 3HD1 ILE 649 3HD1 ILE 649 178.689 -1.191 -3.199 436 H THR 650 H THR 650 182.888 -6.482 -3.620 437 HA THR 650 HA THR 650 184.602 -6.712 -5.891 438 HB THR 650 HB THR 650 185.033 -8.901 -5.190 439 HG1 THR 650 HG1 THR 650 182.384 -8.856 -4.354 440 1HG2 THR 650 1HG2 THR 650 184.882 -6.939 -3.174 441 2HG2 THR 650 2HG2 THR 650 185.907 -8.371 -3.239 442 3HG2 THR 650 3HG2 THR 650 184.318 -8.459 -2.479 443 H LYS 651 H LYS 651 181.223 -7.414 -5.281 444 HA LYS 651 HA LYS 651 180.647 -7.576 -8.050 445 1HB LYS 651 1HB LYS 651 180.000 -9.903 -8.239 446 2HB LYS 651 2HB LYS 651 181.695 -9.790 -7.783 447 1HG LYS 651 1HG LYS 651 180.871 -10.097 -5.376 448 2HG LYS 651 2HG LYS 651 179.356 -10.626 -6.109 449 1HD LYS 651 1HD LYS 651 182.028 -11.816 -6.821 450 2HD LYS 651 2HD LYS 651 181.005 -12.452 -5.533 451 1HE LYS 651 1HE LYS 651 179.167 -12.475 -7.379 452 2HE LYS 651 2HE LYS 651 180.539 -12.419 -8.486 453 1HZ LYS 651 1HZ LYS 651 179.906 -14.686 -8.094 454 2HZ LYS 651 2HZ LYS 651 180.025 -14.488 -6.418 455 3HZ LYS 651 3HZ LYS 651 181.415 -14.415 -7.380 456 H VAL 652 H VAL 652 178.398 -7.939 -8.512 457 HA VAL 652 HA VAL 652 176.629 -7.660 -6.172 458 HB VAL 652 HB VAL 652 175.302 -6.311 -8.206 459 1HG1 VAL 652 1HG1 VAL 652 175.730 -4.307 -6.837 460 2HG1 VAL 652 2HG1 VAL 652 176.929 -5.221 -5.917 461 3HG1 VAL 652 3HG1 VAL 652 175.232 -5.703 -5.882 462 1HG2 VAL 652 1HG2 VAL 652 177.651 -6.307 -9.306 463 2HG2 VAL 652 2HG2 VAL 652 178.019 -5.067 -8.107 464 3HG2 VAL 652 3HG2 VAL 652 176.711 -4.816 -9.263 465 H LYS 653 H LYS 653 174.827 -8.890 -6.188 466 HA LYS 653 HA LYS 653 174.534 -10.820 -8.322 467 1HB LYS 653 1HB LYS 653 173.581 -10.523 -5.554 468 2HB LYS 653 2HB LYS 653 172.415 -11.261 -6.644 469 1HG LYS 653 1HG LYS 653 175.146 -12.325 -6.836 470 2HG LYS 653 2HG LYS 653 174.326 -12.615 -5.302 471 1HD LYS 653 1HD LYS 653 172.512 -13.716 -6.392 472 2HD LYS 653 2HD LYS 653 173.096 -13.227 -7.984 473 1HE LYS 653 1HE LYS 653 175.073 -14.709 -6.433 474 2HE LYS 653 2HE LYS 653 173.602 -15.630 -6.745 475 1HZ LYS 653 1HZ LYS 653 174.720 -14.181 -9.006 476 2HZ LYS 653 2HZ LYS 653 174.016 -15.718 -8.945 477 3HZ LYS 653 3HZ LYS 653 175.620 -15.503 -8.453 478 H LYS 654 H LYS 654 173.575 -10.118 -10.128 479 HA LYS 654 HA LYS 654 171.793 -7.991 -10.359 480 1HB LYS 654 1HB LYS 654 173.115 -9.492 -12.136 481 2HB LYS 654 2HB LYS 654 171.532 -10.242 -12.281 482 1HG LYS 654 1HG LYS 654 171.060 -8.648 -13.752 483 2HG LYS 654 2HG LYS 654 170.962 -7.548 -12.375 484 1HD LYS 654 1HD LYS 654 173.696 -7.992 -13.289 485 2HD LYS 654 2HD LYS 654 172.657 -7.296 -14.533 486 1HE LYS 654 1HE LYS 654 172.294 -6.058 -11.920 487 2HE LYS 654 2HE LYS 654 173.943 -5.913 -12.527 488 1HZ LYS 654 1HZ LYS 654 171.491 -4.715 -13.517 489 2HZ LYS 654 2HZ LYS 654 172.559 -5.274 -14.705 490 3HZ LYS 654 3HZ LYS 654 173.079 -4.134 -13.569 491 H GLY 655 H GLY 655 169.966 -7.895 -9.182 492 1HA GLY 655 1HA GLY 655 167.577 -8.606 -9.504 493 2HA GLY 655 2HA GLY 655 168.173 -10.243 -9.263 494 H SER 656 H SER 656 170.081 -9.297 -7.185 495 HA SER 656 HA SER 656 168.405 -9.694 -4.935 496 1HB SER 656 1HB SER 656 171.307 -8.996 -5.289 497 2HB SER 656 2HB SER 656 170.574 -8.988 -3.686 498 HG SER 656 HG SER 656 170.103 -11.150 -3.905 499 H LEU 657 H LEU 657 168.713 -8.132 -2.971 500 HA LEU 657 HA LEU 657 167.292 -5.799 -3.511 501 1HB LEU 657 1HB LEU 657 168.887 -6.743 -1.163 502 2HB LEU 657 2HB LEU 657 168.212 -5.126 -1.170 503 HG LEU 657 HG LEU 657 166.280 -7.230 -1.848 504 1HD1 LEU 657 1HD1 LEU 657 166.331 -8.489 0.004 505 2HD1 LEU 657 2HD1 LEU 657 166.743 -7.123 1.039 506 3HD1 LEU 657 3HD1 LEU 657 168.005 -7.951 0.130 507 1HD2 LEU 657 1HD2 LEU 657 165.873 -5.409 0.427 508 2HD2 LEU 657 2HD2 LEU 657 164.818 -5.779 -0.938 509 3HD2 LEU 657 3HD2 LEU 657 166.142 -4.630 -1.132 510 H ALA 658 H ALA 658 170.730 -6.187 -2.755 511 HA ALA 658 HA ALA 658 171.597 -3.603 -2.772 512 1HB ALA 658 1HB ALA 658 173.169 -5.754 -4.151 513 2HB ALA 658 2HB ALA 658 172.929 -5.744 -2.404 514 3HB ALA 658 3HB ALA 658 173.761 -4.400 -3.188 515 H ASP 659 H ASP 659 170.605 -5.479 -5.518 516 HA ASP 659 HA ASP 659 171.669 -3.576 -7.421 517 1HB ASP 659 1HB ASP 659 171.234 -6.236 -7.595 518 2HB ASP 659 2HB ASP 659 169.761 -5.632 -8.348 519 H VAL 660 H VAL 660 168.469 -4.646 -6.352 520 HA VAL 660 HA VAL 660 167.121 -2.739 -8.023 521 HB VAL 660 HB VAL 660 165.114 -3.449 -6.474 522 1HG1 VAL 660 1HG1 VAL 660 166.162 -5.615 -8.238 523 2HG1 VAL 660 2HG1 VAL 660 165.763 -4.042 -8.929 524 3HG1 VAL 660 3HG1 VAL 660 164.525 -4.977 -8.090 525 1HG2 VAL 660 1HG2 VAL 660 166.991 -4.708 -5.050 526 2HG2 VAL 660 2HG2 VAL 660 166.603 -5.992 -6.193 527 3HG2 VAL 660 3HG2 VAL 660 165.335 -5.301 -5.180 528 H VAL 661 H VAL 661 167.662 -2.985 -4.495 529 HA VAL 661 HA VAL 661 166.496 -0.335 -4.168 530 HB VAL 661 HB VAL 661 165.991 -2.237 -2.576 531 1HG1 VAL 661 1HG1 VAL 661 168.737 -2.459 -2.415 532 2HG1 VAL 661 2HG1 VAL 661 167.565 -3.223 -1.344 533 3HG1 VAL 661 3HG1 VAL 661 168.295 -1.681 -0.896 534 1HG2 VAL 661 1HG2 VAL 661 165.231 -0.267 -1.735 535 2HG2 VAL 661 2HG2 VAL 661 166.807 0.516 -1.838 536 3HG2 VAL 661 3HG2 VAL 661 166.468 -0.615 -0.527 537 H GLY 662 H GLY 662 169.621 -1.905 -4.094 538 1HA GLY 662 1HA GLY 662 170.948 0.431 -2.989 539 2HA GLY 662 2HA GLY 662 171.720 -1.058 -3.518 540 H HIS 663 H HIS 663 171.160 -1.367 -6.054 541 HA HIS 663 HA HIS 663 171.569 -0.696 -8.180 542 1HB HIS 663 1HB HIS 663 169.995 1.277 -7.217 543 2HB HIS 663 2HB HIS 663 171.441 2.203 -7.607 544 HD1 HIS 663 HD1 HIS 663 168.912 2.743 -9.187 545 HD2 HIS 663 HD2 HIS 663 171.760 -0.056 -10.335 546 HE1 HIS 663 HE1 HIS 663 168.602 2.446 -11.665 547 HE2 HIS 663 HE2 HIS 663 170.276 0.681 -12.321 548 H LEU 664 H LEU 664 173.796 -1.402 -7.078 549 HA LEU 664 HA LEU 664 175.695 0.668 -7.912 550 1HB LEU 664 1HB LEU 664 177.233 -0.404 -6.072 551 2HB LEU 664 2HB LEU 664 176.134 0.902 -5.686 552 HG LEU 664 HG LEU 664 176.181 -0.908 -3.993 553 1HD1 LEU 664 1HD1 LEU 664 173.446 -1.025 -5.107 554 2HD1 LEU 664 2HD1 LEU 664 174.110 0.571 -4.760 555 3HD1 LEU 664 3HD1 LEU 664 173.995 -0.635 -3.478 556 1HD2 LEU 664 1HD2 LEU 664 176.318 -2.641 -6.000 557 2HD2 LEU 664 2HD2 LEU 664 174.572 -2.664 -5.748 558 3HD2 LEU 664 3HD2 LEU 664 175.660 -3.069 -4.419 559 H ARG 665 H ARG 665 177.976 -0.428 -8.108 560 HA ARG 665 HA ARG 665 177.671 -3.135 -9.192 561 1HB ARG 665 1HB ARG 665 179.224 -2.313 -11.100 562 2HB ARG 665 2HB ARG 665 177.502 -1.967 -11.189 563 1HG ARG 665 1HG ARG 665 177.804 0.252 -11.007 564 2HG ARG 665 2HG ARG 665 179.127 0.085 -9.851 565 1HD ARG 665 1HD ARG 665 179.434 -0.580 -12.767 566 2HD ARG 665 2HD ARG 665 179.708 1.043 -12.134 567 HE ARG 665 HE ARG 665 181.189 -0.883 -10.669 568 1HH1 ARG 665 1HH1 ARG 665 181.152 0.840 -13.703 569 2HH1 ARG 665 2HH1 ARG 665 182.868 0.755 -13.916 570 1HH2 ARG 665 1HH2 ARG 665 183.448 -0.996 -10.947 571 2HH2 ARG 665 2HH2 ARG 665 184.172 -0.288 -12.353 572 H ALA 666 H ALA 666 179.669 -4.287 -9.488 573 HA ALA 666 HA ALA 666 181.391 -4.164 -7.320 574 1HB ALA 666 1HB ALA 666 182.782 -5.313 -9.526 575 2HB ALA 666 2HB ALA 666 181.082 -5.772 -9.625 576 3HB ALA 666 3HB ALA 666 182.005 -6.120 -8.166 577 H GLY 667 H GLY 667 182.930 -2.775 -6.781 578 1HA GLY 667 1HA GLY 667 185.116 -1.844 -7.576 579 2HA GLY 667 2HA GLY 667 184.201 -1.205 -8.936 580 H ASP 668 H ASP 668 181.907 -0.702 -7.014 581 HA ASP 668 HA ASP 668 182.442 2.018 -6.512 582 1HB ASP 668 1HB ASP 668 180.242 0.146 -6.051 583 2HB ASP 668 2HB ASP 668 180.369 1.375 -4.797 584 H GLU 669 H GLU 669 183.068 3.114 -4.696 585 HA GLU 669 HA GLU 669 184.242 1.469 -2.575 586 1HB GLU 669 1HB GLU 669 185.554 3.249 -3.904 587 2HB GLU 669 2HB GLU 669 184.681 4.422 -2.926 588 1HG GLU 669 1HG GLU 669 185.592 3.428 -0.899 589 2HG GLU 669 2HG GLU 669 186.449 2.228 -1.866 590 H VAL 670 H VAL 670 182.987 1.155 -0.859 591 HA VAL 670 HA VAL 670 181.024 3.178 -0.106 592 HB VAL 670 HB VAL 670 181.459 0.346 0.851 593 1HG1 VAL 670 1HG1 VAL 670 179.128 0.913 1.973 594 2HG1 VAL 670 2HG1 VAL 670 179.814 2.538 2.010 595 3HG1 VAL 670 3HG1 VAL 670 180.654 1.208 2.807 596 1HG2 VAL 670 1HG2 VAL 670 179.632 -0.245 -0.395 597 2HG2 VAL 670 2HG2 VAL 670 180.287 1.048 -1.399 598 3HG2 VAL 670 3HG2 VAL 670 178.924 1.369 -0.327 599 H LEU 671 H LEU 671 181.952 4.792 1.018 600 HA LEU 671 HA LEU 671 184.045 4.269 2.945 601 1HB LEU 671 1HB LEU 671 182.621 6.879 2.459 602 2HB LEU 671 2HB LEU 671 184.187 6.641 3.209 603 HG LEU 671 HG LEU 671 184.795 7.398 1.124 604 1HD1 LEU 671 1HD1 LEU 671 185.810 5.632 -0.042 605 2HD1 LEU 671 2HD1 LEU 671 184.567 4.482 0.449 606 3HD1 LEU 671 3HD1 LEU 671 185.722 5.090 1.634 607 1HD2 LEU 671 1HD2 LEU 671 182.177 6.690 0.416 608 2HD2 LEU 671 2HD2 LEU 671 183.235 5.843 -0.714 609 3HD2 LEU 671 3HD2 LEU 671 183.349 7.594 -0.544 610 H GLU 672 H GLU 672 180.813 3.839 3.088 611 HA GLU 672 HA GLU 672 180.800 4.171 5.987 612 1HB GLU 672 1HB GLU 672 178.742 5.361 4.132 613 2HB GLU 672 2HB GLU 672 178.514 5.193 5.867 614 1HG GLU 672 1HG GLU 672 180.867 6.492 5.829 615 2HG GLU 672 2HG GLU 672 180.148 7.109 4.343 616 H TRP 673 H TRP 673 179.998 2.420 6.940 617 HA TRP 673 HA TRP 673 178.020 0.790 5.495 618 1HB TRP 673 1HB TRP 673 180.376 -0.185 5.443 619 2HB TRP 673 2HB TRP 673 180.221 -0.403 7.184 620 HD1 TRP 673 HD1 TRP 673 178.257 -2.145 8.004 621 HE1 TRP 673 HE1 TRP 673 177.323 -4.238 6.834 622 HE3 TRP 673 HE3 TRP 673 179.843 -1.186 3.241 623 HZ2 TRP 673 HZ2 TRP 673 177.269 -5.337 4.232 624 HZ3 TRP 673 HZ3 TRP 673 179.304 -2.805 1.473 625 HH2 TRP 673 HH2 TRP 673 178.046 -4.842 1.960 626 H ASN 674 H ASN 674 176.207 0.817 6.649 627 HA ASN 674 HA ASN 674 174.752 0.687 8.393 628 1HB ASN 674 1HB ASN 674 176.175 -1.290 9.025 629 2HB ASN 674 2HB ASN 674 177.100 -0.217 10.070 630 1HD2 ASN 674 1HD2 ASN 674 173.903 -1.545 9.476 631 2HD2 ASN 674 2HD2 ASN 674 173.335 -1.395 11.101 632 H GLY 675 H GLY 675 176.016 3.130 7.793 633 1HA GLY 675 1HA GLY 675 176.043 5.265 8.637 634 2HA GLY 675 2HA GLY 675 175.336 4.622 10.109 635 H LYS 676 H LYS 676 178.305 3.175 9.135 636 HA LYS 676 HA LYS 676 179.689 4.705 11.238 637 1HB LYS 676 1HB LYS 676 180.239 2.717 12.099 638 2HB LYS 676 2HB LYS 676 179.431 1.895 10.776 639 1HG LYS 676 1HG LYS 676 181.407 1.087 10.168 640 2HG LYS 676 2HG LYS 676 181.904 2.721 9.715 641 1HD LYS 676 1HD LYS 676 183.501 1.680 11.255 642 2HD LYS 676 2HD LYS 676 182.740 3.094 11.982 643 1HE LYS 676 1HE LYS 676 181.488 1.830 13.453 644 2HE LYS 676 2HE LYS 676 181.563 0.390 12.440 645 1HZ LYS 676 1HZ LYS 676 184.136 0.716 13.035 646 2HZ LYS 676 2HZ LYS 676 183.082 -0.233 13.956 647 3HZ LYS 676 3HZ LYS 676 183.435 1.348 14.440 648 HA PRO 677 HA PRO 677 182.478 6.036 8.069 649 1HB PRO 677 1HB PRO 677 184.469 7.025 9.565 650 2HB PRO 677 2HB PRO 677 182.881 7.803 9.527 651 1HG PRO 677 1HG PRO 677 184.059 6.002 11.602 652 2HG PRO 677 2HG PRO 677 183.074 7.461 11.811 653 1HD PRO 677 1HD PRO 677 182.110 4.874 11.960 654 2HD PRO 677 2HD PRO 677 181.119 6.302 11.605 655 H LEU 678 H LEU 678 183.545 4.610 6.895 656 HA LEU 678 HA LEU 678 185.132 2.512 8.089 657 1HB LEU 678 1HB LEU 678 184.600 3.102 5.181 658 2HB LEU 678 2HB LEU 678 185.328 1.641 5.822 659 HG LEU 678 HG LEU 678 182.502 2.552 6.371 660 1HD1 LEU 678 1HD1 LEU 678 182.182 1.810 4.276 661 2HD1 LEU 678 2HD1 LEU 678 182.290 0.217 5.026 662 3HD1 LEU 678 3HD1 LEU 678 183.705 0.922 4.244 663 1HD2 LEU 678 1HD2 LEU 678 182.703 1.188 8.132 664 2HD2 LEU 678 2HD2 LEU 678 184.219 0.498 7.544 665 3HD2 LEU 678 3HD2 LEU 678 182.677 -0.122 6.952 666 HA PRO 679 HA PRO 679 188.321 5.189 5.195 667 1HB PRO 679 1HB PRO 679 187.461 7.579 6.794 668 2HB PRO 679 2HB PRO 679 188.204 7.513 5.189 669 1HG PRO 679 1HG PRO 679 185.583 7.874 5.439 670 2HG PRO 679 2HG PRO 679 186.235 6.834 4.160 671 1HD PRO 679 1HD PRO 679 184.807 6.097 6.649 672 2HD PRO 679 2HD PRO 679 184.897 5.234 5.102 673 H GLY 680 H GLY 680 190.027 4.291 6.150 674 1HA GLY 680 1HA GLY 680 191.893 4.725 7.646 675 2HA GLY 680 2HA GLY 680 190.725 5.198 8.871 676 H ALA 681 H ALA 681 189.123 2.738 7.772 677 HA ALA 681 HA ALA 681 190.353 0.861 9.645 678 1HB ALA 681 1HB ALA 681 188.212 0.701 10.267 679 2HB ALA 681 2HB ALA 681 187.992 -0.283 8.820 680 3HB ALA 681 3HB ALA 681 187.633 1.442 8.775 681 H THR 682 H THR 682 191.152 -1.092 9.063 682 HA THR 682 HA THR 682 191.544 -1.558 6.219 683 HB THR 682 HB THR 682 193.506 -1.746 7.591 684 HG1 THR 682 HG1 THR 682 193.691 -3.254 6.066 685 1HG2 THR 682 1HG2 THR 682 193.241 -4.014 9.128 686 2HG2 THR 682 2HG2 THR 682 191.758 -3.110 9.430 687 3HG2 THR 682 3HG2 THR 682 193.325 -2.349 9.701 688 H ASN 683 H ASN 683 191.770 -4.260 6.034 689 HA ASN 683 HA ASN 683 189.195 -5.127 5.542 690 1HB ASN 683 1HB ASN 683 191.445 -6.112 4.759 691 2HB ASN 683 2HB ASN 683 191.402 -7.046 6.250 692 1HD2 ASN 683 1HD2 ASN 683 190.745 -9.026 5.888 693 2HD2 ASN 683 2HD2 ASN 683 189.494 -9.508 4.798 694 H GLU 684 H GLU 684 191.246 -6.000 8.330 695 HA GLU 684 HA GLU 684 189.333 -7.578 9.630 696 1HB GLU 684 1HB GLU 684 190.725 -7.394 11.598 697 2HB GLU 684 2HB GLU 684 191.753 -7.558 10.181 698 1HG GLU 684 1HG GLU 684 191.694 -4.909 10.307 699 2HG GLU 684 2HG GLU 684 191.384 -5.258 12.007 700 H GLU 685 H GLU 685 189.832 -4.114 9.609 701 HA GLU 685 HA GLU 685 188.207 -3.507 11.845 702 1HB GLU 685 1HB GLU 685 189.001 -1.887 9.424 703 2HB GLU 685 2HB GLU 685 188.044 -1.228 10.744 704 1HG GLU 685 1HG GLU 685 190.793 -2.410 11.049 705 2HG GLU 685 2HG GLU 685 190.447 -0.688 10.898 706 H VAL 686 H VAL 686 187.510 -3.139 8.367 707 HA VAL 686 HA VAL 686 184.805 -2.639 8.523 708 HB VAL 686 HB VAL 686 186.340 -4.153 6.409 709 1HG1 VAL 686 1HG1 VAL 686 184.012 -4.766 6.232 710 2HG1 VAL 686 2HG1 VAL 686 184.437 -3.671 4.915 711 3HG1 VAL 686 3HG1 VAL 686 183.527 -3.072 6.302 712 1HG2 VAL 686 1HG2 VAL 686 186.713 -1.621 7.050 713 2HG2 VAL 686 2HG2 VAL 686 185.272 -1.398 6.056 714 3HG2 VAL 686 3HG2 VAL 686 186.710 -2.151 5.367 715 H TYR 687 H TYR 687 186.505 -5.725 8.577 716 HA TYR 687 HA TYR 687 184.459 -7.531 8.291 717 1HB TYR 687 1HB TYR 687 187.024 -7.529 9.792 718 2HB TYR 687 2HB TYR 687 185.870 -8.792 10.199 719 HD1 TYR 687 HD1 TYR 687 187.138 -10.639 9.395 720 HD2 TYR 687 HD2 TYR 687 186.279 -7.370 6.816 721 HE1 TYR 687 HE1 TYR 687 187.914 -11.961 7.473 722 HE2 TYR 687 HE2 TYR 687 187.053 -8.681 4.884 723 HH TYR 687 HH TYR 687 188.738 -11.648 5.235 724 H ASN 688 H ASN 688 185.543 -6.069 11.334 725 HA ASN 688 HA ASN 688 183.515 -7.210 12.935 726 1HB ASN 688 1HB ASN 688 185.182 -4.723 13.374 727 2HB ASN 688 2HB ASN 688 184.172 -5.481 14.602 728 1HD2 ASN 688 1HD2 ASN 688 187.234 -5.227 13.492 729 2HD2 ASN 688 2HD2 ASN 688 187.891 -6.707 14.094 730 H ILE 689 H ILE 689 183.716 -4.211 11.113 731 HA ILE 689 HA ILE 689 181.408 -2.981 12.179 732 HB ILE 689 HB ILE 689 182.960 -2.595 9.634 733 1HG1 ILE 689 1HG1 ILE 689 182.897 -0.212 10.914 734 2HG1 ILE 689 2HG1 ILE 689 182.733 -1.302 12.285 735 1HG2 ILE 689 1HG2 ILE 689 181.537 -0.607 9.173 736 2HG2 ILE 689 2HG2 ILE 689 180.415 -1.176 10.408 737 3HG2 ILE 689 3HG2 ILE 689 180.700 -2.144 8.961 738 1HD1 ILE 689 1HD1 ILE 689 185.082 -0.501 11.400 739 2HD1 ILE 689 2HD1 ILE 689 184.868 -1.871 10.310 740 3HD1 ILE 689 3HD1 ILE 689 184.838 -2.119 12.056 741 H ILE 690 H ILE 690 181.788 -4.406 8.929 742 HA ILE 690 HA ILE 690 179.104 -4.472 8.268 743 HB ILE 690 HB ILE 690 181.251 -6.400 7.380 744 1HG1 ILE 690 1HG1 ILE 690 180.383 -3.671 6.464 745 2HG1 ILE 690 2HG1 ILE 690 182.006 -4.256 6.799 746 1HG2 ILE 690 1HG2 ILE 690 179.824 -6.778 5.422 747 2HG2 ILE 690 2HG2 ILE 690 178.585 -5.738 6.123 748 3HG2 ILE 690 3HG2 ILE 690 179.012 -7.256 6.913 749 1HD1 ILE 690 1HD1 ILE 690 180.532 -4.218 4.326 750 2HD1 ILE 690 2HD1 ILE 690 181.115 -5.839 4.702 751 3HD1 ILE 690 3HD1 ILE 690 182.250 -4.493 4.613 752 H LEU 691 H LEU 691 181.023 -7.254 9.465 753 HA LEU 691 HA LEU 691 179.048 -9.127 9.678 754 1HB LEU 691 1HB LEU 691 181.443 -8.577 11.384 755 2HB LEU 691 2HB LEU 691 180.346 -9.877 11.804 756 HG LEU 691 HG LEU 691 180.925 -11.154 9.967 757 1HD1 LEU 691 1HD1 LEU 691 181.959 -10.333 7.941 758 2HD1 LEU 691 2HD1 LEU 691 182.091 -8.716 8.631 759 3HD1 LEU 691 3HD1 LEU 691 180.502 -9.401 8.288 760 1HD2 LEU 691 1HD2 LEU 691 183.501 -9.656 10.321 761 2HD2 LEU 691 2HD2 LEU 691 183.258 -11.376 10.017 762 3HD2 LEU 691 3HD2 LEU 691 182.837 -10.690 11.586 763 H GLU 692 H GLU 692 179.896 -6.768 12.182 764 HA GLU 692 HA GLU 692 177.979 -7.491 14.068 765 1HB GLU 692 1HB GLU 692 179.485 -4.983 13.475 766 2HB GLU 692 2HB GLU 692 178.144 -4.902 14.611 767 1HG GLU 692 1HG GLU 692 179.295 -6.887 15.776 768 2HG GLU 692 2HG GLU 692 180.711 -6.420 14.834 769 H SER 693 H SER 693 177.653 -5.741 11.095 770 HA SER 693 HA SER 693 174.962 -4.838 11.770 771 1HB SER 693 1HB SER 693 176.226 -3.167 10.655 772 2HB SER 693 2HB SER 693 176.787 -4.303 9.429 773 HG SER 693 HG SER 693 174.082 -3.520 9.789 774 H LYS 694 H LYS 694 176.460 -7.506 10.308 775 HA LYS 694 HA LYS 694 174.619 -8.134 8.274 776 1HB LYS 694 1HB LYS 694 176.584 -9.720 9.881 777 2HB LYS 694 2HB LYS 694 175.437 -10.558 8.846 778 1HG LYS 694 1HG LYS 694 176.384 -8.697 7.131 779 2HG LYS 694 2HG LYS 694 177.801 -8.963 8.149 780 1HD LYS 694 1HD LYS 694 176.912 -11.516 7.692 781 2HD LYS 694 2HD LYS 694 176.558 -10.711 6.162 782 1HE LYS 694 1HE LYS 694 178.877 -9.939 6.037 783 2HE LYS 694 2HE LYS 694 179.229 -10.746 7.564 784 1HZ LYS 694 1HZ LYS 694 178.611 -12.861 6.490 785 2HZ LYS 694 2HZ LYS 694 179.945 -12.122 5.756 786 3HZ LYS 694 3HZ LYS 694 178.425 -12.046 5.018 787 H SER 695 H SER 695 174.391 -8.316 11.703 788 HA SER 695 HA SER 695 172.290 -10.289 11.742 789 1HB SER 695 1HB SER 695 174.022 -9.765 13.607 790 2HB SER 695 2HB SER 695 172.927 -8.450 14.031 791 HG SER 695 HG SER 695 171.265 -10.046 14.223 792 H GLU 696 H GLU 696 172.523 -6.829 11.536 793 HA GLU 696 HA GLU 696 169.877 -6.248 12.407 794 1HB GLU 696 1HB GLU 696 171.896 -4.685 10.803 795 2HB GLU 696 2HB GLU 696 170.310 -4.044 11.212 796 1HG GLU 696 1HG GLU 696 172.467 -4.878 13.137 797 2HG GLU 696 2HG GLU 696 171.949 -3.232 12.771 798 HA PRO 697 HA PRO 697 167.680 -7.377 8.729 799 1HB PRO 697 1HB PRO 697 165.372 -6.055 9.150 800 2HB PRO 697 2HB PRO 697 165.835 -7.464 10.112 801 1HG PRO 697 1HG PRO 697 166.063 -4.555 10.782 802 2HG PRO 697 2HG PRO 697 165.515 -5.897 11.803 803 1HD PRO 697 1HD PRO 697 168.027 -4.850 11.935 804 2HD PRO 697 2HD PRO 697 167.658 -6.543 12.319 805 H GLN 698 H GLN 698 168.818 -4.264 9.353 806 HA GLN 698 HA GLN 698 168.309 -3.488 6.584 807 1HB GLN 698 1HB GLN 698 166.538 -2.453 8.022 808 2HB GLN 698 2HB GLN 698 167.808 -1.605 8.894 809 1HG GLN 698 1HG GLN 698 168.281 -0.211 7.127 810 2HG GLN 698 2HG GLN 698 167.621 -1.327 5.932 811 1HE2 GLN 698 1HE2 GLN 698 167.125 1.573 6.677 812 2HE2 GLN 698 2HE2 GLN 698 165.406 1.682 6.802 813 H VAL 699 H VAL 699 169.763 -1.868 5.786 814 HA VAL 699 HA VAL 699 172.055 -1.216 7.474 815 HB VAL 699 HB VAL 699 172.259 -2.734 4.872 816 1HG1 VAL 699 1HG1 VAL 699 174.703 -2.484 5.084 817 2HG1 VAL 699 2HG1 VAL 699 174.456 -1.368 6.427 818 3HG1 VAL 699 3HG1 VAL 699 173.891 -0.940 4.809 819 1HG2 VAL 699 1HG2 VAL 699 173.888 -3.991 6.609 820 2HG2 VAL 699 2HG2 VAL 699 172.191 -4.411 6.378 821 3HG2 VAL 699 3HG2 VAL 699 172.667 -3.372 7.720 822 H GLU 700 H GLU 700 173.321 0.508 6.714 823 HA GLU 700 HA GLU 700 172.208 2.037 4.462 824 1HB GLU 700 1HB GLU 700 171.414 3.060 6.537 825 2HB GLU 700 2HB GLU 700 173.061 3.137 7.149 826 1HG GLU 700 1HG GLU 700 173.502 4.554 5.015 827 2HG GLU 700 2HG GLU 700 171.752 4.770 5.024 828 H ILE 701 H ILE 701 173.768 2.012 2.957 829 HA ILE 701 HA ILE 701 176.541 2.432 3.861 830 HB ILE 701 HB ILE 701 177.050 1.271 1.554 831 1HG1 ILE 701 1HG1 ILE 701 174.336 0.163 2.312 832 2HG1 ILE 701 2HG1 ILE 701 174.756 0.997 0.820 833 1HG2 ILE 701 1HG2 ILE 701 177.097 -0.932 2.799 834 2HG2 ILE 701 2HG2 ILE 701 176.343 -0.077 4.145 835 3HG2 ILE 701 3HG2 ILE 701 177.933 0.418 3.566 836 1HD1 ILE 701 1HD1 ILE 701 175.646 -0.845 -0.110 837 2HD1 ILE 701 2HD1 ILE 701 174.615 -1.671 1.060 838 3HD1 ILE 701 3HD1 ILE 701 176.326 -1.418 1.414 839 H ILE 702 H ILE 702 177.795 3.874 2.822 840 HA ILE 702 HA ILE 702 176.519 5.469 0.697 841 HB ILE 702 HB ILE 702 178.623 6.532 2.567 842 1HG1 ILE 702 1HG1 ILE 702 176.845 5.838 4.031 843 2HG1 ILE 702 2HG1 ILE 702 176.734 7.584 3.844 844 1HG2 ILE 702 1HG2 ILE 702 178.205 8.568 1.664 845 2HG2 ILE 702 2HG2 ILE 702 176.503 8.214 1.369 846 3HG2 ILE 702 3HG2 ILE 702 177.737 7.575 0.284 847 1HD1 ILE 702 1HD1 ILE 702 174.604 6.078 3.733 848 2HD1 ILE 702 2HD1 ILE 702 175.107 5.842 2.060 849 3HD1 ILE 702 3HD1 ILE 702 174.779 7.467 2.663 850 H VAL 703 H VAL 703 177.801 6.132 -1.042 851 HA VAL 703 HA VAL 703 180.493 4.941 -1.160 852 HB VAL 703 HB VAL 703 180.059 4.549 -3.619 853 1HG1 VAL 703 1HG1 VAL 703 180.087 2.522 -2.676 854 2HG1 VAL 703 2HG1 VAL 703 178.334 2.578 -2.865 855 3HG1 VAL 703 3HG1 VAL 703 179.070 3.027 -1.326 856 1HG2 VAL 703 1HG2 VAL 703 178.148 5.862 -4.050 857 2HG2 VAL 703 2HG2 VAL 703 177.255 5.143 -2.709 858 3HG2 VAL 703 3HG2 VAL 703 177.603 4.187 -4.150 859 H SER 704 H SER 704 181.580 5.781 -3.313 860 HA SER 704 HA SER 704 181.015 8.615 -3.742 861 1HB SER 704 1HB SER 704 182.595 8.918 -2.048 862 2HB SER 704 2HB SER 704 183.536 7.510 -2.538 863 HG SER 704 HG SER 704 183.275 9.758 -4.223 864 H ARG 705 H ARG 705 180.979 8.949 -5.856 865 HA ARG 705 HA ARG 705 182.167 7.040 -7.669 866 1HB ARG 705 1HB ARG 705 180.290 9.332 -7.895 867 2HB ARG 705 2HB ARG 705 181.233 8.933 -9.323 868 1HG ARG 705 1HG ARG 705 179.743 6.790 -7.874 869 2HG ARG 705 2HG ARG 705 178.896 7.872 -8.982 870 1HD ARG 705 1HD ARG 705 179.487 6.352 -10.532 871 2HD ARG 705 2HD ARG 705 181.038 7.190 -10.485 872 HE ARG 705 HE ARG 705 180.811 5.059 -8.568 873 1HH1 ARG 705 1HH1 ARG 705 181.647 5.873 -11.857 874 2HH1 ARG 705 2HH1 ARG 705 182.672 4.494 -12.070 875 1HH2 ARG 705 1HH2 ARG 705 182.158 3.244 -8.846 876 2HH2 ARG 705 2HH2 ARG 705 182.962 3.001 -10.361 877 H GLU 943 H GLU 943 189.745 -12.738 -5.408 878 HA GLU 943 HA GLU 943 189.943 -11.282 -3.433 879 1HB GLU 943 1HB GLU 943 190.147 -10.753 -5.982 880 2HB GLU 943 2HB GLU 943 188.630 -9.894 -5.749 881 1HG GLU 943 1HG GLU 943 189.887 -8.733 -3.799 882 2HG GLU 943 2HG GLU 943 191.333 -9.298 -4.634 883 H GLU 944 H GLU 944 188.550 -11.434 -1.699 884 HA GLU 944 HA GLU 944 186.275 -9.648 -1.763 885 1HB GLU 944 1HB GLU 944 184.701 -11.312 -0.859 886 2HB GLU 944 2HB GLU 944 185.235 -11.725 -2.482 887 1HG GLU 944 1HG GLU 944 186.952 -12.922 -0.507 888 2HG GLU 944 2HG GLU 944 185.266 -13.349 -0.221 889 H GLY 945 H GLY 945 185.161 -9.796 0.546 890 1HA GLY 945 1HA GLY 945 187.113 -10.357 2.640 891 2HA GLY 945 2HA GLY 945 186.638 -8.677 2.441 892 H ILE 946 H ILE 946 183.921 -8.997 1.873 893 HA ILE 946 HA ILE 946 182.831 -10.477 4.149 894 HB ILE 946 HB ILE 946 181.401 -8.004 3.982 895 1HG1 ILE 946 1HG1 ILE 946 183.729 -7.249 3.138 896 2HG1 ILE 946 2HG1 ILE 946 182.986 -6.343 4.447 897 1HG2 ILE 946 1HG2 ILE 946 183.156 -8.996 6.221 898 2HG2 ILE 946 2HG2 ILE 946 181.554 -9.646 5.869 899 3HG2 ILE 946 3HG2 ILE 946 181.737 -7.955 6.334 900 1HD1 ILE 946 1HD1 ILE 946 185.513 -7.144 4.499 901 2HD1 ILE 946 2HD1 ILE 946 184.756 -8.567 5.216 902 3HD1 ILE 946 3HD1 ILE 946 184.528 -6.983 5.955 903 H TRP 947 H TRP 947 180.719 -11.133 3.911 904 HA TRP 947 HA TRP 947 179.675 -10.936 1.194 905 1HB TRP 947 1HB TRP 947 179.644 -12.975 3.233 906 2HB TRP 947 2HB TRP 947 178.003 -12.613 2.705 907 HD1 TRP 947 HD1 TRP 947 180.458 -15.035 1.946 908 HE1 TRP 947 HE1 TRP 947 180.371 -15.839 -0.499 909 HE3 TRP 947 HE3 TRP 947 177.638 -11.270 -0.046 910 HZ2 TRP 947 HZ2 TRP 947 179.253 -14.983 -2.952 911 HZ3 TRP 947 HZ3 TRP 947 177.102 -11.333 -2.450 912 HH2 TRP 947 HH2 TRP 947 177.895 -13.155 -3.869 913 H ALA 948 H ALA 948 178.127 -9.560 0.708 914 HA ALA 948 HA ALA 948 176.072 -8.914 2.661 915 1HB ALA 948 1HB ALA 948 176.447 -6.422 2.040 916 2HB ALA 948 2HB ALA 948 178.077 -6.953 1.623 917 3HB ALA 948 3HB ALA 948 177.470 -7.171 3.266 Start of MODEL 16 1 H HIS 597 H HIS 597 162.138 4.825 -0.176 2 HA HIS 597 HA HIS 597 163.039 2.929 -0.754 3 1HB HIS 597 1HB HIS 597 160.826 3.523 -2.217 4 2HB HIS 597 2HB HIS 597 161.960 3.110 -3.500 5 HD1 HIS 597 HD1 HIS 597 160.627 1.596 -0.277 6 HD2 HIS 597 HD2 HIS 597 162.167 0.447 -3.962 7 HE1 HIS 597 HE1 HIS 597 160.416 -0.910 -0.342 8 HE2 HIS 597 HE2 HIS 597 161.442 -1.589 -2.542 9 HA PRO 598 HA PRO 598 165.809 3.619 -4.588 10 1HB PRO 598 1HB PRO 598 165.686 5.907 -5.979 11 2HB PRO 598 2HB PRO 598 164.531 4.596 -6.249 12 1HG PRO 598 1HG PRO 598 164.194 7.132 -4.707 13 2HG PRO 598 2HG PRO 598 163.046 6.310 -5.779 14 1HD PRO 598 1HD PRO 598 163.021 6.147 -3.024 15 2HD PRO 598 2HD PRO 598 162.297 4.947 -4.110 16 H VAL 599 H VAL 599 167.839 4.810 -5.064 17 HA VAL 599 HA VAL 599 168.744 6.196 -2.663 18 HB VAL 599 HB VAL 599 170.129 4.752 -4.885 19 1HG1 VAL 599 1HG1 VAL 599 171.376 6.786 -4.889 20 2HG1 VAL 599 2HG1 VAL 599 172.315 5.596 -3.988 21 3HG1 VAL 599 3HG1 VAL 599 171.408 6.839 -3.126 22 1HG2 VAL 599 1HG2 VAL 599 170.303 4.724 -1.880 23 2HG2 VAL 599 2HG2 VAL 599 171.320 3.750 -2.942 24 3HG2 VAL 599 3HG2 VAL 599 169.574 3.499 -2.919 25 H THR 600 H THR 600 169.917 8.149 -2.733 26 HA THR 600 HA THR 600 169.433 9.779 -5.142 27 HB THR 600 HB THR 600 169.460 11.680 -3.278 28 HG1 THR 600 HG1 THR 600 168.327 9.479 -1.905 29 1HG2 THR 600 1HG2 THR 600 167.596 11.283 -4.813 30 2HG2 THR 600 2HG2 THR 600 167.047 11.646 -3.177 31 3HG2 THR 600 3HG2 THR 600 167.025 9.983 -3.767 32 H TRP 601 H TRP 601 170.982 11.387 -5.627 33 HA TRP 601 HA TRP 601 173.539 11.142 -4.191 34 1HB TRP 601 1HB TRP 601 173.241 11.326 -7.196 35 2HB TRP 601 2HB TRP 601 174.751 11.195 -6.301 36 HD1 TRP 601 HD1 TRP 601 171.569 9.095 -6.994 37 HE1 TRP 601 HE1 TRP 601 172.226 6.609 -6.911 38 HE3 TRP 601 HE3 TRP 601 176.460 9.593 -5.584 39 HZ2 TRP 601 HZ2 TRP 601 174.514 5.062 -6.327 40 HZ3 TRP 601 HZ3 TRP 601 177.813 7.560 -5.285 41 HH2 TRP 601 HH2 TRP 601 176.859 5.341 -5.648 42 H GLN 602 H GLN 602 174.355 13.030 -3.562 43 HA GLN 602 HA GLN 602 173.405 15.478 -4.901 44 1HB GLN 602 1HB GLN 602 173.648 16.625 -2.735 45 2HB GLN 602 2HB GLN 602 172.483 15.311 -2.655 46 1HG GLN 602 1HG GLN 602 174.781 14.055 -1.912 47 2HG GLN 602 2HG GLN 602 175.018 15.672 -1.249 48 1HE2 GLN 602 1HE2 GLN 602 174.650 15.436 0.854 49 2HE2 GLN 602 2HE2 GLN 602 173.218 14.766 1.551 50 HA PRO 603 HA PRO 603 177.480 16.760 -5.935 51 1HB PRO 603 1HB PRO 603 177.523 19.281 -4.694 52 2HB PRO 603 2HB PRO 603 177.002 18.935 -6.343 53 1HG PRO 603 1HG PRO 603 175.374 19.296 -3.877 54 2HG PRO 603 2HG PRO 603 175.004 19.757 -5.549 55 1HD PRO 603 1HD PRO 603 173.847 17.632 -4.411 56 2HD PRO 603 2HD PRO 603 174.330 17.607 -6.121 57 H SER 604 H SER 604 179.390 16.267 -5.081 58 HA SER 604 HA SER 604 179.716 15.533 -2.398 59 1HB SER 604 1HB SER 604 181.101 14.780 -4.397 60 2HB SER 604 2HB SER 604 181.975 16.303 -4.246 61 HG SER 604 HG SER 604 182.938 14.501 -3.113 62 H LYS 605 H LYS 605 181.916 16.508 -1.315 63 HA LYS 605 HA LYS 605 181.118 19.142 -0.469 64 1HB LYS 605 1HB LYS 605 182.597 16.992 0.636 65 2HB LYS 605 2HB LYS 605 183.665 18.388 0.601 66 1HG LYS 605 1HG LYS 605 181.435 19.526 1.588 67 2HG LYS 605 2HG LYS 605 181.253 17.885 2.207 68 1HD LYS 605 1HD LYS 605 182.694 18.372 3.829 69 2HD LYS 605 2HD LYS 605 183.949 18.602 2.610 70 1HE LYS 605 1HE LYS 605 182.093 20.859 2.938 71 2HE LYS 605 2HE LYS 605 183.111 20.519 4.336 72 1HZ LYS 605 1HZ LYS 605 183.927 21.277 1.604 73 2HZ LYS 605 2HZ LYS 605 185.005 20.484 2.637 74 3HZ LYS 605 3HZ LYS 605 184.364 21.985 3.077 75 H GLU 606 H GLU 606 183.058 17.991 -2.955 76 HA GLU 606 HA GLU 606 184.722 20.414 -2.958 77 1HB GLU 606 1HB GLU 606 185.093 17.667 -4.076 78 2HB GLU 606 2HB GLU 606 185.893 19.019 -4.864 79 1HG GLU 606 1HG GLU 606 187.472 19.083 -3.316 80 2HG GLU 606 2HG GLU 606 186.282 19.132 -2.017 81 H GLY 607 H GLY 607 181.970 19.087 -4.371 82 1HA GLY 607 1HA GLY 607 180.600 19.956 -6.009 83 2HA GLY 607 2HA GLY 607 181.769 21.246 -6.242 84 H ASP 608 H ASP 608 183.140 18.141 -6.434 85 HA ASP 608 HA ASP 608 182.940 18.186 -9.372 86 1HB ASP 608 1HB ASP 608 185.325 18.035 -7.610 87 2HB ASP 608 2HB ASP 608 185.336 17.020 -9.049 88 H ARG 609 H ARG 609 182.096 16.495 -6.694 89 HA ARG 609 HA ARG 609 182.080 13.964 -8.184 90 1HB ARG 609 1HB ARG 609 183.026 14.466 -5.389 91 2HB ARG 609 2HB ARG 609 182.275 12.924 -5.778 92 1HG ARG 609 1HG ARG 609 184.108 13.294 -7.814 93 2HG ARG 609 2HG ARG 609 184.936 13.898 -6.377 94 1HD ARG 609 1HD ARG 609 184.367 11.780 -5.220 95 2HD ARG 609 2HD ARG 609 183.668 11.184 -6.724 96 HE ARG 609 HE ARG 609 185.783 10.800 -7.521 97 1HH1 ARG 609 1HH1 ARG 609 185.986 12.815 -4.679 98 2HH1 ARG 609 2HH1 ARG 609 187.709 12.700 -4.566 99 1HH2 ARG 609 1HH2 ARG 609 188.051 10.647 -7.375 100 2HH2 ARG 609 2HH2 ARG 609 188.882 11.469 -6.097 101 H LEU 610 H LEU 610 180.474 12.389 -7.214 102 HA LEU 610 HA LEU 610 178.121 13.850 -6.206 103 1HB LEU 610 1HB LEU 610 178.436 12.309 -8.601 104 2HB LEU 610 2HB LEU 610 177.274 11.509 -7.559 105 HG LEU 610 HG LEU 610 176.257 13.082 -9.201 106 1HD1 LEU 610 1HD1 LEU 610 174.714 12.809 -7.591 107 2HD1 LEU 610 2HD1 LEU 610 175.131 14.472 -7.173 108 3HD1 LEU 610 3HD1 LEU 610 175.859 13.130 -6.289 109 1HD2 LEU 610 1HD2 LEU 610 178.294 14.744 -8.626 110 2HD2 LEU 610 2HD2 LEU 610 177.044 15.416 -7.579 111 3HD2 LEU 610 3HD2 LEU 610 176.762 15.279 -9.315 112 H ILE 611 H ILE 611 177.688 13.260 -4.194 113 HA ILE 611 HA ILE 611 178.389 10.551 -3.315 114 HB ILE 611 HB ILE 611 177.591 12.887 -1.581 115 1HG1 ILE 611 1HG1 ILE 611 179.617 13.485 -2.767 116 2HG1 ILE 611 2HG1 ILE 611 180.025 13.094 -1.100 117 1HG2 ILE 611 1HG2 ILE 611 177.271 10.873 -0.401 118 2HG2 ILE 611 2HG2 ILE 611 178.827 11.499 0.143 119 3HG2 ILE 611 3HG2 ILE 611 178.767 10.178 -1.025 120 1HD1 ILE 611 1HD1 ILE 611 181.524 11.651 -1.835 121 2HD1 ILE 611 2HD1 ILE 611 181.054 11.984 -3.502 122 3HD1 ILE 611 3HD1 ILE 611 180.239 10.711 -2.594 123 H GLY 612 H GLY 612 176.913 9.156 -2.456 124 1HA GLY 612 1HA GLY 612 174.115 10.052 -2.286 125 2HA GLY 612 2HA GLY 612 174.514 8.644 -3.258 126 H ARG 613 H ARG 613 172.706 8.512 -1.154 127 HA ARG 613 HA ARG 613 174.216 6.961 0.843 128 1HB ARG 613 1HB ARG 613 172.495 7.454 2.472 129 2HB ARG 613 2HB ARG 613 173.103 8.957 1.796 130 1HG ARG 613 1HG ARG 613 170.614 7.651 0.750 131 2HG ARG 613 2HG ARG 613 170.590 8.738 2.137 132 1HD ARG 613 1HD ARG 613 172.103 10.044 0.174 133 2HD ARG 613 2HD ARG 613 170.716 9.357 -0.670 134 HE ARG 613 HE ARG 613 170.689 11.597 1.038 135 1HH1 ARG 613 1HH1 ARG 613 168.817 8.752 0.277 136 2HH1 ARG 613 2HH1 ARG 613 167.311 9.464 0.747 137 1HH2 ARG 613 1HH2 ARG 613 168.710 12.535 1.658 138 2HH2 ARG 613 2HH2 ARG 613 167.249 11.613 1.531 139 H VAL 614 H VAL 614 173.803 4.833 0.950 140 HA VAL 614 HA VAL 614 171.417 3.861 -0.473 141 HB VAL 614 HB VAL 614 174.038 2.418 -0.079 142 1HG1 VAL 614 1HG1 VAL 614 172.803 1.110 -2.076 143 2HG1 VAL 614 2HG1 VAL 614 171.402 1.618 -1.134 144 3HG1 VAL 614 3HG1 VAL 614 172.666 0.647 -0.379 145 1HG2 VAL 614 1HG2 VAL 614 173.076 4.259 -2.152 146 2HG2 VAL 614 2HG2 VAL 614 173.759 2.751 -2.759 147 3HG2 VAL 614 3HG2 VAL 614 174.721 3.797 -1.715 148 H ILE 615 H ILE 615 169.973 2.717 0.612 149 HA ILE 615 HA ILE 615 170.689 1.751 3.302 150 HB ILE 615 HB ILE 615 167.830 2.004 2.528 151 1HG1 ILE 615 1HG1 ILE 615 168.653 4.116 1.689 152 2HG1 ILE 615 2HG1 ILE 615 167.823 4.406 3.214 153 1HG2 ILE 615 1HG2 ILE 615 168.548 1.120 4.707 154 2HG2 ILE 615 2HG2 ILE 615 167.576 2.583 4.865 155 3HG2 ILE 615 3HG2 ILE 615 169.327 2.662 5.060 156 1HD1 ILE 615 1HD1 ILE 615 170.683 3.928 3.516 157 2HD1 ILE 615 2HD1 ILE 615 169.663 5.202 4.186 158 3HD1 ILE 615 3HD1 ILE 615 170.291 5.347 2.544 159 H LEU 616 H LEU 616 170.892 -0.390 3.462 160 HA LEU 616 HA LEU 616 169.259 -2.069 1.678 161 1HB LEU 616 1HB LEU 616 172.154 -2.047 2.156 162 2HB LEU 616 2HB LEU 616 171.425 -3.639 2.258 163 HG LEU 616 HG LEU 616 171.146 -1.781 -0.105 164 1HD1 LEU 616 1HD1 LEU 616 172.636 -4.307 -0.351 165 2HD1 LEU 616 2HD1 LEU 616 173.431 -3.030 0.570 166 3HD1 LEU 616 3HD1 LEU 616 172.928 -2.734 -1.094 167 1HD2 LEU 616 1HD2 LEU 616 170.631 -4.675 -0.300 168 2HD2 LEU 616 2HD2 LEU 616 169.819 -3.318 -1.078 169 3HD2 LEU 616 3HD2 LEU 616 169.442 -3.727 0.595 170 H ASN 617 H ASN 617 168.570 -4.083 2.486 171 HA ASN 617 HA ASN 617 168.792 -4.414 5.400 172 1HB ASN 617 1HB ASN 617 166.311 -4.417 3.696 173 2HB ASN 617 2HB ASN 617 166.353 -5.228 5.260 174 1HD2 ASN 617 1HD2 ASN 617 166.632 -2.151 3.623 175 2HD2 ASN 617 2HD2 ASN 617 166.285 -1.168 5.000 176 H LYS 618 H LYS 618 169.217 -6.437 6.068 177 HA LYS 618 HA LYS 618 169.455 -8.519 4.038 178 1HB LYS 618 1HB LYS 618 170.373 -8.552 6.918 179 2HB LYS 618 2HB LYS 618 170.795 -9.718 5.672 180 1HG LYS 618 1HG LYS 618 172.528 -8.494 5.064 181 2HG LYS 618 2HG LYS 618 171.485 -7.103 4.764 182 1HD LYS 618 1HD LYS 618 171.951 -6.153 6.778 183 2HD LYS 618 2HD LYS 618 172.132 -7.708 7.591 184 1HE LYS 618 1HE LYS 618 174.318 -7.169 7.570 185 2HE LYS 618 2HE LYS 618 174.247 -7.791 5.922 186 1HZ LYS 618 1HZ LYS 618 174.754 -5.140 6.839 187 2HZ LYS 618 2HZ LYS 618 173.489 -5.168 5.715 188 3HZ LYS 618 3HZ LYS 618 174.998 -5.809 5.306 189 H ARG 619 H ARG 619 167.615 -7.707 6.885 190 HA ARG 619 HA ARG 619 166.497 -10.343 7.197 191 1HB ARG 619 1HB ARG 619 166.079 -7.693 8.525 192 2HB ARG 619 2HB ARG 619 164.915 -8.987 8.773 193 1HG ARG 619 1HG ARG 619 167.337 -10.227 9.200 194 2HG ARG 619 2HG ARG 619 167.568 -8.623 9.896 195 1HD ARG 619 1HD ARG 619 165.274 -10.480 10.520 196 2HD ARG 619 2HD ARG 619 166.700 -10.252 11.530 197 HE ARG 619 HE ARG 619 165.277 -7.820 10.944 198 1HH1 ARG 619 1HH1 ARG 619 165.525 -10.553 13.101 199 2HH1 ARG 619 2HH1 ARG 619 164.768 -9.734 14.426 200 1HH2 ARG 619 1HH2 ARG 619 164.281 -6.743 12.686 201 2HH2 ARG 619 2HH2 ARG 619 164.061 -7.572 14.190 202 H THR 620 H THR 620 165.639 -7.406 5.532 203 HA THR 620 HA THR 620 162.893 -7.780 5.228 204 HB THR 620 HB THR 620 164.073 -5.713 4.603 205 HG1 THR 620 HG1 THR 620 162.564 -5.289 3.206 206 1HG2 THR 620 1HG2 THR 620 166.048 -6.597 3.534 207 2HG2 THR 620 2HG2 THR 620 165.175 -5.539 2.427 208 3HG2 THR 620 3HG2 THR 620 165.066 -7.289 2.243 209 H THR 621 H THR 621 165.538 -9.477 3.815 210 HA THR 621 HA THR 621 165.623 -11.331 2.499 211 HB THR 621 HB THR 621 162.648 -11.477 2.265 212 HG1 THR 621 HG1 THR 621 164.048 -12.194 4.621 213 1HG2 THR 621 1HG2 THR 621 163.235 -13.892 2.932 214 2HG2 THR 621 2HG2 THR 621 164.888 -13.432 2.524 215 3HG2 THR 621 3HG2 THR 621 163.618 -13.336 1.304 216 H MET 622 H MET 622 164.870 -12.164 0.289 217 HA MET 622 HA MET 622 164.566 -9.838 -1.475 218 1HB MET 622 1HB MET 622 166.259 -12.166 -1.518 219 2HB MET 622 2HB MET 622 165.297 -12.103 -2.988 220 1HG MET 622 1HG MET 622 166.950 -10.801 -3.733 221 2HG MET 622 2HG MET 622 166.120 -9.538 -2.824 222 1HE MET 622 1HE MET 622 168.547 -12.318 -0.645 223 2HE MET 622 2HE MET 622 169.793 -11.929 -1.833 224 3HE MET 622 3HE MET 622 168.225 -12.537 -2.366 225 HA PRO 623 HA PRO 623 160.733 -11.307 -3.085 226 1HB PRO 623 1HB PRO 623 160.856 -10.699 -5.702 227 2HB PRO 623 2HB PRO 623 160.797 -9.448 -4.454 228 1HG PRO 623 1HG PRO 623 163.154 -10.503 -5.971 229 2HG PRO 623 2HG PRO 623 162.746 -8.826 -5.560 230 1HD PRO 623 1HD PRO 623 164.557 -10.327 -4.167 231 2HD PRO 623 2HD PRO 623 163.620 -9.003 -3.447 232 H LYS 624 H LYS 624 163.646 -12.624 -4.450 233 HA LYS 624 HA LYS 624 162.272 -14.672 -5.961 234 1HB LYS 624 1HB LYS 624 165.219 -14.457 -5.340 235 2HB LYS 624 2HB LYS 624 164.473 -15.442 -6.590 236 1HG LYS 624 1HG LYS 624 164.311 -13.729 -8.025 237 2HG LYS 624 2HG LYS 624 163.857 -12.581 -6.764 238 1HD LYS 624 1HD LYS 624 165.999 -11.958 -7.705 239 2HD LYS 624 2HD LYS 624 166.214 -12.493 -6.037 240 1HE LYS 624 1HE LYS 624 167.734 -13.949 -6.744 241 2HE LYS 624 2HE LYS 624 166.466 -14.789 -7.636 242 1HZ LYS 624 1HZ LYS 624 166.979 -13.645 -9.582 243 2HZ LYS 624 2HZ LYS 624 168.496 -13.997 -8.923 244 3HZ LYS 624 3HZ LYS 624 167.851 -12.440 -8.776 245 H GLU 625 H GLU 625 164.547 -14.671 -3.211 246 HA GLU 625 HA GLU 625 163.075 -16.571 -1.729 247 1HB GLU 625 1HB GLU 625 164.528 -18.514 -1.918 248 2HB GLU 625 2HB GLU 625 163.867 -18.097 -3.493 249 1HG GLU 625 1HG GLU 625 165.958 -17.035 -4.115 250 2HG GLU 625 2HG GLU 625 166.623 -17.381 -2.519 251 H SER 626 H SER 626 166.223 -15.144 -2.414 252 HA SER 626 HA SER 626 167.706 -14.087 -1.040 253 1HB SER 626 1HB SER 626 165.329 -14.077 0.508 254 2HB SER 626 2HB SER 626 166.639 -14.569 1.581 255 HG SER 626 HG SER 626 167.155 -12.544 1.630 256 H GLY 627 H GLY 627 169.310 -14.603 0.682 257 1HA GLY 627 1HA GLY 627 169.560 -16.978 2.037 258 2HA GLY 627 2HA GLY 627 170.131 -17.333 0.415 259 H ALA 628 H ALA 628 171.188 -14.580 0.074 260 HA ALA 628 HA ALA 628 173.746 -15.073 1.330 261 1HB ALA 628 1HB ALA 628 173.763 -14.434 -0.983 262 2HB ALA 628 2HB ALA 628 174.509 -13.146 -0.038 263 3HB ALA 628 3HB ALA 628 172.858 -12.962 -0.631 264 H LEU 629 H LEU 629 173.041 -11.726 0.892 265 HA LEU 629 HA LEU 629 172.487 -11.382 3.742 266 1HB LEU 629 1HB LEU 629 174.442 -9.506 2.524 267 2HB LEU 629 2HB LEU 629 174.261 -10.007 4.186 268 HG LEU 629 HG LEU 629 176.352 -10.798 3.347 269 1HD1 LEU 629 1HD1 LEU 629 176.204 -12.681 4.463 270 2HD1 LEU 629 2HD1 LEU 629 175.171 -13.409 3.235 271 3HD1 LEU 629 3HD1 LEU 629 174.457 -12.430 4.519 272 1HD2 LEU 629 1HD2 LEU 629 176.642 -11.308 1.218 273 2HD2 LEU 629 2HD2 LEU 629 174.904 -11.280 0.942 274 3HD2 LEU 629 3HD2 LEU 629 175.688 -12.769 1.458 275 H LEU 630 H LEU 630 173.377 -8.933 1.336 276 HA LEU 630 HA LEU 630 170.612 -7.937 1.474 277 1HB LEU 630 1HB LEU 630 171.941 -5.666 0.915 278 2HB LEU 630 2HB LEU 630 171.518 -6.175 2.537 279 HG LEU 630 HG LEU 630 174.145 -6.959 1.376 280 1HD1 LEU 630 1HD1 LEU 630 173.374 -4.265 2.409 281 2HD1 LEU 630 2HD1 LEU 630 174.335 -4.683 0.990 282 3HD1 LEU 630 3HD1 LEU 630 175.020 -4.872 2.603 283 1HD2 LEU 630 1HD2 LEU 630 174.832 -6.932 3.709 284 2HD2 LEU 630 2HD2 LEU 630 173.434 -7.978 3.467 285 3HD2 LEU 630 3HD2 LEU 630 173.225 -6.377 4.174 286 H GLY 631 H GLY 631 173.584 -8.015 -0.554 287 1HA GLY 631 1HA GLY 631 172.486 -8.884 -2.851 288 2HA GLY 631 2HA GLY 631 172.021 -7.198 -2.864 289 H LEU 632 H LEU 632 175.130 -7.671 -1.447 290 HA LEU 632 HA LEU 632 176.573 -7.713 -3.918 291 1HB LEU 632 1HB LEU 632 177.445 -5.512 -3.961 292 2HB LEU 632 2HB LEU 632 175.704 -5.393 -3.882 293 HG LEU 632 HG LEU 632 176.714 -3.675 -2.528 294 1HD1 LEU 632 1HD1 LEU 632 174.833 -5.546 -1.567 295 2HD1 LEU 632 2HD1 LEU 632 175.011 -3.845 -1.148 296 3HD1 LEU 632 3HD1 LEU 632 175.861 -5.074 -0.216 297 1HD2 LEU 632 1HD2 LEU 632 178.384 -3.941 -1.048 298 2HD2 LEU 632 2HD2 LEU 632 178.733 -5.359 -2.038 299 3HD2 LEU 632 3HD2 LEU 632 177.829 -5.533 -0.533 300 H LYS 633 H LYS 633 178.878 -7.741 -3.670 301 HA LYS 633 HA LYS 633 179.685 -8.512 -0.942 302 1HB LYS 633 1HB LYS 633 179.903 -10.213 -2.786 303 2HB LYS 633 2HB LYS 633 181.090 -9.159 -3.541 304 1HG LYS 633 1HG LYS 633 182.397 -9.309 -1.378 305 2HG LYS 633 2HG LYS 633 181.297 -10.612 -0.922 306 1HD LYS 633 1HD LYS 633 182.203 -11.123 -3.564 307 2HD LYS 633 2HD LYS 633 183.612 -10.729 -2.577 308 1HE LYS 633 1HE LYS 633 183.428 -12.603 -1.332 309 2HE LYS 633 2HE LYS 633 181.666 -12.559 -1.340 310 1HZ LYS 633 1HZ LYS 633 183.356 -13.429 -3.622 311 2HZ LYS 633 2HZ LYS 633 181.665 -13.452 -3.566 312 3HZ LYS 633 3HZ LYS 633 182.559 -14.470 -2.552 313 H VAL 634 H VAL 634 181.257 -7.407 0.093 314 HA VAL 634 HA VAL 634 182.664 -5.322 -1.443 315 HB VAL 634 HB VAL 634 181.240 -5.118 1.177 316 1HG1 VAL 634 1HG1 VAL 634 183.660 -3.499 0.391 317 2HG1 VAL 634 2HG1 VAL 634 183.457 -4.491 1.834 318 3HG1 VAL 634 3HG1 VAL 634 182.512 -3.013 1.641 319 1HG2 VAL 634 1HG2 VAL 634 181.028 -3.999 -1.438 320 2HG2 VAL 634 2HG2 VAL 634 181.302 -2.705 -0.271 321 3HG2 VAL 634 3HG2 VAL 634 179.947 -3.816 -0.056 322 H VAL 635 H VAL 635 184.687 -4.683 -0.681 323 HA VAL 635 HA VAL 635 186.079 -6.781 0.828 324 HB VAL 635 HB VAL 635 186.773 -5.163 -1.513 325 1HG1 VAL 635 1HG1 VAL 635 188.836 -5.548 0.650 326 2HG1 VAL 635 2HG1 VAL 635 188.228 -4.015 0.027 327 3HG1 VAL 635 3HG1 VAL 635 189.183 -5.071 -1.011 328 1HG2 VAL 635 1HG2 VAL 635 188.143 -7.618 -0.492 329 2HG2 VAL 635 2HG2 VAL 635 187.898 -7.090 -2.159 330 3HG2 VAL 635 3HG2 VAL 635 186.534 -7.689 -1.211 331 H GLY 636 H GLY 636 187.818 -6.068 2.290 332 1HA GLY 636 1HA GLY 636 187.416 -3.339 3.318 333 2HA GLY 636 2HA GLY 636 187.297 -4.706 4.414 334 H GLY 637 H GLY 637 189.218 -2.295 3.816 335 1HA GLY 637 1HA GLY 637 191.389 -1.932 4.513 336 2HA GLY 637 2HA GLY 637 191.544 -3.653 4.813 337 H LYS 638 H LYS 638 191.133 -1.491 1.998 338 HA LYS 638 HA LYS 638 193.347 -2.959 0.741 339 1HB LYS 638 1HB LYS 638 192.293 -3.033 -1.335 340 2HB LYS 638 2HB LYS 638 190.994 -3.395 -0.213 341 1HG LYS 638 1HG LYS 638 189.929 -1.391 -0.589 342 2HG LYS 638 2HG LYS 638 191.400 -0.586 -1.133 343 1HD LYS 638 1HD LYS 638 190.076 -0.925 -3.064 344 2HD LYS 638 2HD LYS 638 191.373 -2.119 -3.128 345 1HE LYS 638 1HE LYS 638 189.892 -3.847 -2.349 346 2HE LYS 638 2HE LYS 638 188.602 -2.675 -2.076 347 1HZ LYS 638 1HZ LYS 638 189.787 -3.261 -4.734 348 2HZ LYS 638 2HZ LYS 638 188.435 -2.294 -4.416 349 3HZ LYS 638 3HZ LYS 638 188.361 -3.964 -4.154 350 H MET 639 H MET 639 195.048 -1.727 0.474 351 HA MET 639 HA MET 639 195.054 1.054 0.886 352 1HB MET 639 1HB MET 639 196.967 -0.832 0.900 353 2HB MET 639 2HB MET 639 197.269 -0.136 -0.685 354 1HG MET 639 1HG MET 639 198.594 1.250 0.473 355 2HG MET 639 2HG MET 639 197.084 2.110 0.772 356 1HE MET 639 1HE MET 639 197.152 3.222 2.934 357 2HE MET 639 2HE MET 639 196.917 2.318 4.430 358 3HE MET 639 3HE MET 639 195.793 2.109 3.086 359 H THR 640 H THR 640 193.947 2.370 -0.431 360 HA THR 640 HA THR 640 193.880 1.930 -3.288 361 HB THR 640 HB THR 640 192.687 4.344 -2.949 362 HG1 THR 640 HG1 THR 640 192.079 2.951 -0.568 363 1HG2 THR 640 1HG2 THR 640 191.211 2.966 -3.909 364 2HG2 THR 640 2HG2 THR 640 190.611 2.765 -2.263 365 3HG2 THR 640 3HG2 THR 640 191.722 1.578 -2.947 366 H ASP 641 H ASP 641 193.964 4.330 -4.450 367 HA ASP 641 HA ASP 641 196.749 4.911 -4.529 368 1HB ASP 641 1HB ASP 641 194.693 5.186 -6.299 369 2HB ASP 641 2HB ASP 641 194.930 6.855 -5.790 370 H LEU 642 H LEU 642 194.092 6.213 -2.761 371 HA LEU 642 HA LEU 642 195.149 8.810 -2.298 372 1HB LEU 642 1HB LEU 642 193.108 7.164 -0.812 373 2HB LEU 642 2HB LEU 642 193.523 8.807 -0.366 374 HG LEU 642 HG LEU 642 191.515 8.903 -1.641 375 1HD1 LEU 642 1HD1 LEU 642 193.755 9.652 -3.511 376 2HD1 LEU 642 2HD1 LEU 642 193.252 10.615 -2.122 377 3HD1 LEU 642 3HD1 LEU 642 192.132 10.340 -3.455 378 1HD2 LEU 642 1HD2 LEU 642 192.115 6.606 -2.746 379 2HD2 LEU 642 2HD2 LEU 642 192.764 7.628 -4.029 380 3HD2 LEU 642 3HD2 LEU 642 191.063 7.753 -3.576 381 H GLY 643 H GLY 643 195.688 5.693 -0.870 382 1HA GLY 643 1HA GLY 643 197.706 5.269 0.354 383 2HA GLY 643 2HA GLY 643 197.658 6.926 0.935 384 H ARG 644 H ARG 644 194.607 5.462 1.013 385 HA ARG 644 HA ARG 644 194.971 4.654 3.819 386 1HB ARG 644 1HB ARG 644 192.849 5.676 4.407 387 2HB ARG 644 2HB ARG 644 193.921 6.885 3.711 388 1HG ARG 644 1HG ARG 644 192.686 7.046 1.759 389 2HG ARG 644 2HG ARG 644 191.929 5.468 1.990 390 1HD ARG 644 1HD ARG 644 190.567 6.309 3.769 391 2HD ARG 644 2HD ARG 644 191.435 7.844 3.776 392 HE ARG 644 HE ARG 644 190.182 7.235 1.262 393 1HH1 ARG 644 1HH1 ARG 644 189.728 8.659 4.415 394 2HH1 ARG 644 2HH1 ARG 644 188.420 9.673 3.907 395 1HH2 ARG 644 1HH2 ARG 644 188.459 8.568 0.592 396 2HH2 ARG 644 2HH2 ARG 644 187.700 9.622 1.738 397 H LEU 645 H LEU 645 192.992 3.382 4.600 398 HA LEU 645 HA LEU 645 192.420 1.352 2.575 399 1HB LEU 645 1HB LEU 645 192.130 1.341 5.577 400 2HB LEU 645 2HB LEU 645 191.634 0.014 4.545 401 HG LEU 645 HG LEU 645 194.433 1.010 5.048 402 1HD1 LEU 645 1HD1 LEU 645 193.101 -0.696 6.538 403 2HD1 LEU 645 2HD1 LEU 645 194.798 -0.967 6.142 404 3HD1 LEU 645 3HD1 LEU 645 193.539 -1.821 5.251 405 1HD2 LEU 645 1HD2 LEU 645 194.528 0.591 2.763 406 2HD2 LEU 645 2HD2 LEU 645 193.371 -0.737 2.859 407 3HD2 LEU 645 3HD2 LEU 645 195.010 -0.949 3.473 408 H GLY 646 H GLY 646 190.324 0.581 2.171 409 1HA GLY 646 1HA GLY 646 188.061 1.970 3.360 410 2HA GLY 646 2HA GLY 646 188.314 2.259 1.645 411 H ALA 647 H ALA 647 186.228 1.312 1.278 412 HA ALA 647 HA ALA 647 186.370 -1.621 1.194 413 1HB ALA 647 1HB ALA 647 183.746 -1.362 1.597 414 2HB ALA 647 2HB ALA 647 184.304 0.044 2.504 415 3HB ALA 647 3HB ALA 647 184.899 -1.564 2.918 416 H PHE 648 H PHE 648 186.005 -2.395 -0.769 417 HA PHE 648 HA PHE 648 184.447 -0.756 -2.660 418 1HB PHE 648 1HB PHE 648 186.889 -2.464 -3.165 419 2HB PHE 648 2HB PHE 648 185.864 -1.840 -4.453 420 HD1 PHE 648 HD1 PHE 648 186.216 0.288 -5.314 421 HD2 PHE 648 HD2 PHE 648 187.958 -0.773 -1.578 422 HE1 PHE 648 HE1 PHE 648 187.493 2.392 -5.317 423 HE2 PHE 648 HE2 PHE 648 189.236 1.329 -1.573 424 HZ PHE 648 HZ PHE 648 189.005 2.914 -3.443 425 H ILE 649 H ILE 649 183.065 -1.854 -4.099 426 HA ILE 649 HA ILE 649 182.073 -4.360 -3.056 427 HB ILE 649 HB ILE 649 181.107 -2.657 -5.360 428 1HG1 ILE 649 1HG1 ILE 649 179.539 -3.082 -2.865 429 2HG1 ILE 649 2HG1 ILE 649 180.939 -2.016 -2.771 430 1HG2 ILE 649 1HG2 ILE 649 179.912 -5.140 -4.142 431 2HG2 ILE 649 2HG2 ILE 649 180.468 -4.921 -5.801 432 3HG2 ILE 649 3HG2 ILE 649 179.047 -4.049 -5.225 433 1HD1 ILE 649 1HD1 ILE 649 179.226 -1.472 -5.062 434 2HD1 ILE 649 2HD1 ILE 649 179.890 -0.375 -3.850 435 3HD1 ILE 649 3HD1 ILE 649 178.415 -1.280 -3.507 436 H THR 650 H THR 650 182.865 -6.238 -3.668 437 HA THR 650 HA THR 650 184.515 -6.528 -5.983 438 HB THR 650 HB THR 650 184.930 -8.727 -5.246 439 HG1 THR 650 HG1 THR 650 182.925 -9.576 -4.994 440 1HG2 THR 650 1HG2 THR 650 184.836 -6.667 -3.243 441 2HG2 THR 650 2HG2 THR 650 186.014 -7.955 -3.481 442 3HG2 THR 650 3HG2 THR 650 184.559 -8.256 -2.532 443 H LYS 651 H LYS 651 181.152 -7.181 -5.254 444 HA LYS 651 HA LYS 651 180.475 -7.414 -7.981 445 1HB LYS 651 1HB LYS 651 179.951 -9.732 -8.210 446 2HB LYS 651 2HB LYS 651 181.614 -9.617 -7.653 447 1HG LYS 651 1HG LYS 651 181.016 -10.281 -5.455 448 2HG LYS 651 2HG LYS 651 179.295 -10.113 -5.803 449 1HD LYS 651 1HD LYS 651 180.869 -11.973 -7.499 450 2HD LYS 651 2HD LYS 651 180.525 -12.469 -5.841 451 1HE LYS 651 1HE LYS 651 178.611 -13.252 -6.722 452 2HE LYS 651 2HE LYS 651 178.093 -11.569 -6.616 453 1HZ LYS 651 1HZ LYS 651 178.973 -13.093 -8.975 454 2HZ LYS 651 2HZ LYS 651 179.152 -11.410 -8.953 455 3HZ LYS 651 3HZ LYS 651 177.616 -12.099 -8.787 456 H VAL 652 H VAL 652 178.238 -7.685 -8.365 457 HA VAL 652 HA VAL 652 176.545 -7.444 -5.960 458 HB VAL 652 HB VAL 652 175.092 -6.198 -7.954 459 1HG1 VAL 652 1HG1 VAL 652 175.632 -4.107 -6.730 460 2HG1 VAL 652 2HG1 VAL 652 176.853 -5.005 -5.823 461 3HG1 VAL 652 3HG1 VAL 652 175.150 -5.446 -5.689 462 1HG2 VAL 652 1HG2 VAL 652 177.285 -6.225 -9.271 463 2HG2 VAL 652 2HG2 VAL 652 177.836 -5.002 -8.127 464 3HG2 VAL 652 3HG2 VAL 652 176.423 -4.692 -9.137 465 H LYS 653 H LYS 653 174.716 -8.657 -5.887 466 HA LYS 653 HA LYS 653 174.389 -10.671 -7.954 467 1HB LYS 653 1HB LYS 653 173.857 -10.496 -5.148 468 2HB LYS 653 2HB LYS 653 172.358 -10.888 -5.977 469 1HG LYS 653 1HG LYS 653 174.881 -12.396 -6.545 470 2HG LYS 653 2HG LYS 653 173.848 -12.809 -5.176 471 1HD LYS 653 1HD LYS 653 173.082 -14.206 -6.877 472 2HD LYS 653 2HD LYS 653 171.940 -12.860 -6.904 473 1HE LYS 653 1HE LYS 653 173.038 -11.881 -8.791 474 2HE LYS 653 2HE LYS 653 174.362 -13.041 -8.688 475 1HZ LYS 653 1HZ LYS 653 172.419 -14.742 -8.990 476 2HZ LYS 653 2HZ LYS 653 173.102 -13.969 -10.330 477 3HZ LYS 653 3HZ LYS 653 171.634 -13.419 -9.695 478 H LYS 654 H LYS 654 173.311 -10.021 -9.713 479 HA LYS 654 HA LYS 654 171.456 -7.942 -9.854 480 1HB LYS 654 1HB LYS 654 170.832 -8.888 -12.048 481 2HB LYS 654 2HB LYS 654 172.575 -8.787 -11.833 482 1HG LYS 654 1HG LYS 654 171.891 -11.325 -10.916 483 2HG LYS 654 2HG LYS 654 170.913 -11.082 -12.366 484 1HD LYS 654 1HD LYS 654 172.771 -11.815 -13.417 485 2HD LYS 654 2HD LYS 654 173.290 -10.139 -13.226 486 1HE LYS 654 1HE LYS 654 174.864 -10.669 -11.709 487 2HE LYS 654 2HE LYS 654 173.838 -11.863 -10.915 488 1HZ LYS 654 1HZ LYS 654 174.344 -13.101 -13.211 489 2HZ LYS 654 2HZ LYS 654 175.302 -13.283 -11.829 490 3HZ LYS 654 3HZ LYS 654 175.774 -12.210 -13.050 491 H GLY 655 H GLY 655 169.660 -7.877 -8.644 492 1HA GLY 655 1HA GLY 655 167.294 -8.703 -8.857 493 2HA GLY 655 2HA GLY 655 167.969 -10.300 -8.573 494 H SER 656 H SER 656 169.905 -9.013 -6.614 495 HA SER 656 HA SER 656 168.290 -9.431 -4.292 496 1HB SER 656 1HB SER 656 171.128 -8.395 -4.489 497 2HB SER 656 2HB SER 656 170.344 -9.009 -3.034 498 HG SER 656 HG SER 656 171.680 -10.567 -4.121 499 H LEU 657 H LEU 657 168.748 -7.746 -2.403 500 HA LEU 657 HA LEU 657 167.236 -5.463 -3.011 501 1HB LEU 657 1HB LEU 657 169.028 -6.011 -0.649 502 2HB LEU 657 2HB LEU 657 167.880 -4.690 -0.744 503 HG LEU 657 HG LEU 657 166.611 -7.250 -1.274 504 1HD1 LEU 657 1HD1 LEU 657 167.656 -8.503 0.243 505 2HD1 LEU 657 2HD1 LEU 657 166.868 -7.497 1.456 506 3HD1 LEU 657 3HD1 LEU 657 168.507 -7.118 0.927 507 1HD2 LEU 657 1HD2 LEU 657 166.180 -5.087 0.783 508 2HD2 LEU 657 2HD2 LEU 657 165.078 -6.427 0.467 509 3HD2 LEU 657 3HD2 LEU 657 165.381 -5.221 -0.784 510 H ALA 658 H ALA 658 170.688 -5.760 -2.257 511 HA ALA 658 HA ALA 658 171.481 -3.149 -2.473 512 1HB ALA 658 1HB ALA 658 173.628 -3.917 -2.579 513 2HB ALA 658 2HB ALA 658 173.233 -5.197 -3.726 514 3HB ALA 658 3HB ALA 658 172.812 -5.379 -2.023 515 H ASP 659 H ASP 659 170.526 -5.290 -5.042 516 HA ASP 659 HA ASP 659 171.579 -3.571 -7.116 517 1HB ASP 659 1HB ASP 659 170.885 -6.273 -6.965 518 2HB ASP 659 2HB ASP 659 169.692 -5.561 -8.049 519 H VAL 660 H VAL 660 168.368 -4.575 -6.003 520 HA VAL 660 HA VAL 660 167.027 -2.769 -7.781 521 HB VAL 660 HB VAL 660 165.002 -3.372 -6.261 522 1HG1 VAL 660 1HG1 VAL 660 166.439 -4.959 -8.293 523 2HG1 VAL 660 2HG1 VAL 660 164.797 -4.316 -8.304 524 3HG1 VAL 660 3HG1 VAL 660 165.162 -5.789 -7.405 525 1HG2 VAL 660 1HG2 VAL 660 165.230 -4.901 -4.641 526 2HG2 VAL 660 2HG2 VAL 660 166.949 -4.523 -4.711 527 3HG2 VAL 660 3HG2 VAL 660 166.315 -5.899 -5.610 528 H VAL 661 H VAL 661 167.574 -2.800 -4.251 529 HA VAL 661 HA VAL 661 166.443 -0.115 -4.083 530 HB VAL 661 HB VAL 661 165.762 -1.739 -2.376 531 1HG1 VAL 661 1HG1 VAL 661 167.481 -3.201 -1.981 532 2HG1 VAL 661 2HG1 VAL 661 167.606 -2.154 -0.569 533 3HG1 VAL 661 3HG1 VAL 661 168.700 -1.930 -1.931 534 1HG2 VAL 661 1HG2 VAL 661 165.920 -0.299 -0.518 535 2HG2 VAL 661 2HG2 VAL 661 165.973 0.749 -1.935 536 3HG2 VAL 661 3HG2 VAL 661 167.458 0.367 -1.064 537 H GLY 662 H GLY 662 169.527 -1.766 -3.847 538 1HA GLY 662 1HA GLY 662 170.922 0.527 -2.798 539 2HA GLY 662 2HA GLY 662 171.655 -0.955 -3.392 540 H HIS 663 H HIS 663 171.062 -1.178 -5.921 541 HA HIS 663 HA HIS 663 171.404 -0.437 -8.033 542 1HB HIS 663 1HB HIS 663 170.156 1.759 -6.728 543 2HB HIS 663 2HB HIS 663 171.424 2.405 -7.762 544 HD1 HIS 663 HD1 HIS 663 171.051 2.317 -10.273 545 HD2 HIS 663 HD2 HIS 663 168.088 0.370 -8.106 546 HE1 HIS 663 HE1 HIS 663 169.225 1.816 -11.928 547 HE2 HIS 663 HE2 HIS 663 167.483 0.562 -10.611 548 H LEU 664 H LEU 664 173.653 -1.214 -6.940 549 HA LEU 664 HA LEU 664 175.570 0.791 -7.877 550 1HB LEU 664 1HB LEU 664 177.137 -0.202 -6.031 551 2HB LEU 664 2HB LEU 664 176.042 1.114 -5.666 552 HG LEU 664 HG LEU 664 176.152 -0.653 -3.919 553 1HD1 LEU 664 1HD1 LEU 664 173.875 0.616 -5.036 554 2HD1 LEU 664 2HD1 LEU 664 174.165 0.135 -3.364 555 3HD1 LEU 664 3HD1 LEU 664 173.402 -0.990 -4.486 556 1HD2 LEU 664 1HD2 LEU 664 175.575 -2.817 -4.266 557 2HD2 LEU 664 2HD2 LEU 664 176.196 -2.441 -5.877 558 3HD2 LEU 664 3HD2 LEU 664 174.457 -2.428 -5.575 559 H ARG 665 H ARG 665 177.806 -0.319 -8.130 560 HA ARG 665 HA ARG 665 177.473 -3.084 -9.027 561 1HB ARG 665 1HB ARG 665 178.533 -0.806 -10.695 562 2HB ARG 665 2HB ARG 665 178.749 -2.501 -11.113 563 1HG ARG 665 1HG ARG 665 175.986 -1.999 -10.567 564 2HG ARG 665 2HG ARG 665 176.585 -0.822 -11.738 565 1HD ARG 665 1HD ARG 665 176.116 -2.456 -13.217 566 2HD ARG 665 2HD ARG 665 177.692 -3.067 -12.719 567 HE ARG 665 HE ARG 665 176.653 -4.824 -11.673 568 1HH1 ARG 665 1HH1 ARG 665 174.271 -2.403 -12.480 569 2HH1 ARG 665 2HH1 ARG 665 172.925 -3.414 -12.075 570 1HH2 ARG 665 1HH2 ARG 665 174.884 -6.154 -11.140 571 2HH2 ARG 665 2HH2 ARG 665 173.272 -5.543 -11.314 572 H ALA 666 H ALA 666 179.484 -4.215 -9.401 573 HA ALA 666 HA ALA 666 181.308 -3.980 -7.335 574 1HB ALA 666 1HB ALA 666 182.680 -5.186 -9.473 575 2HB ALA 666 2HB ALA 666 180.980 -5.613 -9.660 576 3HB ALA 666 3HB ALA 666 181.819 -5.975 -8.154 577 H GLY 667 H GLY 667 182.879 -2.579 -6.915 578 1HA GLY 667 1HA GLY 667 184.995 -1.635 -7.884 579 2HA GLY 667 2HA GLY 667 183.969 -1.008 -9.167 580 H ASP 668 H ASP 668 181.833 -0.524 -7.065 581 HA ASP 668 HA ASP 668 182.420 2.201 -6.595 582 1HB ASP 668 1HB ASP 668 180.242 0.322 -5.866 583 2HB ASP 668 2HB ASP 668 180.410 1.755 -4.858 584 H GLU 669 H GLU 669 182.951 3.293 -4.699 585 HA GLU 669 HA GLU 669 184.246 1.608 -2.666 586 1HB GLU 669 1HB GLU 669 185.680 3.221 -3.908 587 2HB GLU 669 2HB GLU 669 184.711 4.536 -3.255 588 1HG GLU 669 1HG GLU 669 185.343 3.505 -0.956 589 2HG GLU 669 2HG GLU 669 186.645 2.740 -1.867 590 H VAL 670 H VAL 670 182.924 1.268 -0.993 591 HA VAL 670 HA VAL 670 181.028 3.298 -0.159 592 HB VAL 670 HB VAL 670 181.556 0.494 0.829 593 1HG1 VAL 670 1HG1 VAL 670 179.852 2.655 1.992 594 2HG1 VAL 670 2HG1 VAL 670 180.845 1.444 2.803 595 3HG1 VAL 670 3HG1 VAL 670 179.306 0.981 2.076 596 1HG2 VAL 670 1HG2 VAL 670 179.025 1.572 -0.368 597 2HG2 VAL 670 2HG2 VAL 670 179.553 -0.106 -0.217 598 3HG2 VAL 670 3HG2 VAL 670 180.342 0.966 -1.374 599 H LEU 671 H LEU 671 181.871 4.941 0.970 600 HA LEU 671 HA LEU 671 184.098 4.532 2.772 601 1HB LEU 671 1HB LEU 671 182.620 7.110 2.661 602 2HB LEU 671 2HB LEU 671 184.343 6.813 2.797 603 HG LEU 671 HG LEU 671 182.823 6.293 0.251 604 1HD1 LEU 671 1HD1 LEU 671 184.041 8.524 -0.372 605 2HD1 LEU 671 2HD1 LEU 671 183.885 8.834 1.357 606 3HD1 LEU 671 3HD1 LEU 671 182.447 8.532 0.382 607 1HD2 LEU 671 1HD2 LEU 671 185.744 6.777 0.800 608 2HD2 LEU 671 2HD2 LEU 671 185.015 6.401 -0.761 609 3HD2 LEU 671 3HD2 LEU 671 185.004 5.199 0.531 610 H GLU 672 H GLU 672 180.901 3.950 3.071 611 HA GLU 672 HA GLU 672 181.014 4.241 5.970 612 1HB GLU 672 1HB GLU 672 178.932 5.505 4.205 613 2HB GLU 672 2HB GLU 672 178.628 5.154 5.901 614 1HG GLU 672 1HG GLU 672 181.052 6.501 5.903 615 2HG GLU 672 2HG GLU 672 180.079 7.340 4.696 616 H TRP 673 H TRP 673 180.267 2.473 6.942 617 HA TRP 673 HA TRP 673 178.270 0.819 5.552 618 1HB TRP 673 1HB TRP 673 180.672 -0.091 5.443 619 2HB TRP 673 2HB TRP 673 180.514 -0.377 7.175 620 HD1 TRP 673 HD1 TRP 673 178.511 -2.131 7.909 621 HE1 TRP 673 HE1 TRP 673 177.616 -4.200 6.661 622 HE3 TRP 673 HE3 TRP 673 180.244 -1.059 3.228 623 HZ2 TRP 673 HZ2 TRP 673 177.653 -5.237 4.029 624 HZ3 TRP 673 HZ3 TRP 673 179.771 -2.634 1.405 625 HH2 TRP 673 HH2 TRP 673 178.502 -4.688 1.800 626 H ASN 674 H ASN 674 176.501 0.783 6.770 627 HA ASN 674 HA ASN 674 175.111 0.629 8.565 628 1HB ASN 674 1HB ASN 674 176.751 -1.293 9.101 629 2HB ASN 674 2HB ASN 674 177.449 -0.184 10.278 630 1HD2 ASN 674 1HD2 ASN 674 174.374 -1.611 9.275 631 2HD2 ASN 674 2HD2 ASN 674 173.696 -1.698 10.861 632 H GLY 675 H GLY 675 176.340 3.090 7.939 633 1HA GLY 675 1HA GLY 675 176.350 5.221 8.800 634 2HA GLY 675 2HA GLY 675 175.726 4.553 10.299 635 H LYS 676 H LYS 676 178.628 3.067 9.299 636 HA LYS 676 HA LYS 676 180.111 4.701 11.251 637 1HB LYS 676 1HB LYS 676 180.718 2.780 12.211 638 2HB LYS 676 2HB LYS 676 179.760 1.893 11.039 639 1HG LYS 676 1HG LYS 676 181.619 0.967 10.263 640 2HG LYS 676 2HG LYS 676 182.202 2.553 9.748 641 1HD LYS 676 1HD LYS 676 183.803 1.404 11.217 642 2HD LYS 676 2HD LYS 676 183.215 2.905 11.932 643 1HE LYS 676 1HE LYS 676 181.896 1.789 13.493 644 2HE LYS 676 2HE LYS 676 181.893 0.293 12.561 645 1HZ LYS 676 1HZ LYS 676 184.495 0.571 13.074 646 2HZ LYS 676 2HZ LYS 676 183.436 -0.308 14.057 647 3HZ LYS 676 3HZ LYS 676 183.841 1.283 14.464 648 HA PRO 677 HA PRO 677 182.854 5.737 7.938 649 1HB PRO 677 1HB PRO 677 184.904 6.772 9.310 650 2HB PRO 677 2HB PRO 677 183.327 7.572 9.290 651 1HG PRO 677 1HG PRO 677 184.571 5.887 11.417 652 2HG PRO 677 2HG PRO 677 183.578 7.345 11.579 653 1HD PRO 677 1HD PRO 677 182.665 4.732 11.869 654 2HD PRO 677 2HD PRO 677 181.643 6.147 11.559 655 H LEU 678 H LEU 678 183.859 4.224 6.813 656 HA LEU 678 HA LEU 678 185.467 2.185 8.091 657 1HB LEU 678 1HB LEU 678 184.911 2.500 5.151 658 2HB LEU 678 2HB LEU 678 185.448 1.056 5.990 659 HG LEU 678 HG LEU 678 182.800 2.310 6.639 660 1HD1 LEU 678 1HD1 LEU 678 183.414 1.476 4.096 661 2HD1 LEU 678 2HD1 LEU 678 181.797 1.567 4.794 662 3HD1 LEU 678 3HD1 LEU 678 182.685 0.043 4.819 663 1HD2 LEU 678 1HD2 LEU 678 182.903 -0.548 6.698 664 2HD2 LEU 678 2HD2 LEU 678 182.613 0.584 8.019 665 3HD2 LEU 678 3HD2 LEU 678 184.263 0.106 7.613 666 HA PRO 679 HA PRO 679 188.525 4.588 4.852 667 1HB PRO 679 1HB PRO 679 187.818 7.113 6.308 668 2HB PRO 679 2HB PRO 679 188.442 6.903 4.665 669 1HG PRO 679 1HG PRO 679 185.856 7.358 5.067 670 2HG PRO 679 2HG PRO 679 186.389 6.199 3.835 671 1HD PRO 679 1HD PRO 679 185.146 5.705 6.484 672 2HD PRO 679 2HD PRO 679 185.069 4.732 5.001 673 H GLY 680 H GLY 680 190.271 3.728 5.775 674 1HA GLY 680 1HA GLY 680 192.226 4.205 7.124 675 2HA GLY 680 2HA GLY 680 191.153 4.836 8.363 676 H ALA 681 H ALA 681 189.437 2.316 7.543 677 HA ALA 681 HA ALA 681 190.668 0.600 9.565 678 1HB ALA 681 1HB ALA 681 187.983 1.248 8.826 679 2HB ALA 681 2HB ALA 681 188.565 0.345 10.222 680 3HB ALA 681 3HB ALA 681 188.216 -0.495 8.712 681 H THR 682 H THR 682 191.366 -1.448 9.189 682 HA THR 682 HA THR 682 191.793 -2.176 6.408 683 HB THR 682 HB THR 682 193.744 -2.380 7.721 684 HG1 THR 682 HG1 THR 682 193.933 -4.170 6.629 685 1HG2 THR 682 1HG2 THR 682 192.017 -3.743 9.740 686 2HG2 THR 682 2HG2 THR 682 193.088 -2.357 9.940 687 3HG2 THR 682 3HG2 THR 682 193.765 -3.970 9.715 688 H ASN 683 H ASN 683 191.857 -4.842 6.331 689 HA ASN 683 HA ASN 683 189.258 -5.627 5.904 690 1HB ASN 683 1HB ASN 683 190.149 -7.982 5.996 691 2HB ASN 683 2HB ASN 683 191.042 -6.892 4.939 692 1HD2 ASN 683 1HD2 ASN 683 193.096 -6.194 5.551 693 2HD2 ASN 683 2HD2 ASN 683 194.013 -7.016 6.764 694 H GLU 684 H GLU 684 191.244 -6.350 8.775 695 HA GLU 684 HA GLU 684 189.297 -7.808 10.146 696 1HB GLU 684 1HB GLU 684 191.906 -6.797 10.683 697 2HB GLU 684 2HB GLU 684 190.873 -6.372 12.040 698 1HG GLU 684 1HG GLU 684 190.400 -9.090 11.257 699 2HG GLU 684 2HG GLU 684 192.121 -8.823 11.531 700 H GLU 685 H GLU 685 189.883 -4.339 9.996 701 HA GLU 685 HA GLU 685 188.095 -3.615 12.063 702 1HB GLU 685 1HB GLU 685 188.958 -2.061 9.614 703 2HB GLU 685 2HB GLU 685 188.107 -1.377 10.993 704 1HG GLU 685 1HG GLU 685 190.867 -2.575 10.990 705 2HG GLU 685 2HG GLU 685 190.449 -0.870 11.152 706 H VAL 686 H VAL 686 187.675 -3.391 8.532 707 HA VAL 686 HA VAL 686 184.943 -2.897 8.513 708 HB VAL 686 HB VAL 686 186.640 -4.337 6.471 709 1HG1 VAL 686 1HG1 VAL 686 183.848 -3.231 6.190 710 2HG1 VAL 686 2HG1 VAL 686 184.317 -4.930 6.132 711 3HG1 VAL 686 3HG1 VAL 686 184.849 -3.826 4.864 712 1HG2 VAL 686 1HG2 VAL 686 185.723 -1.472 6.686 713 2HG2 VAL 686 2HG2 VAL 686 186.560 -2.161 5.294 714 3HG2 VAL 686 3HG2 VAL 686 187.373 -2.072 6.857 715 H TYR 687 H TYR 687 186.711 -5.954 8.547 716 HA TYR 687 HA TYR 687 184.686 -7.762 8.102 717 1HB TYR 687 1HB TYR 687 187.203 -7.829 9.699 718 2HB TYR 687 2HB TYR 687 186.054 -9.140 9.937 719 HD1 TYR 687 HD1 TYR 687 187.536 -10.833 9.069 720 HD2 TYR 687 HD2 TYR 687 186.460 -7.479 6.688 721 HE1 TYR 687 HE1 TYR 687 188.426 -11.969 7.078 722 HE2 TYR 687 HE2 TYR 687 187.346 -8.605 4.684 723 HH TYR 687 HH TYR 687 189.243 -11.459 4.875 724 H ASN 688 H ASN 688 185.616 -6.291 11.183 725 HA ASN 688 HA ASN 688 183.573 -7.570 12.696 726 1HB ASN 688 1HB ASN 688 185.226 -5.103 13.279 727 2HB ASN 688 2HB ASN 688 184.155 -5.877 14.442 728 1HD2 ASN 688 1HD2 ASN 688 187.188 -5.477 14.064 729 2HD2 ASN 688 2HD2 ASN 688 187.835 -7.036 14.432 730 H ILE 689 H ILE 689 183.866 -4.425 11.113 731 HA ILE 689 HA ILE 689 181.525 -3.250 12.094 732 HB ILE 689 HB ILE 689 183.162 -2.822 9.619 733 1HG1 ILE 689 1HG1 ILE 689 182.844 -0.436 10.967 734 2HG1 ILE 689 2HG1 ILE 689 182.843 -1.620 12.270 735 1HG2 ILE 689 1HG2 ILE 689 181.014 -2.391 8.735 736 2HG2 ILE 689 2HG2 ILE 689 181.684 -0.815 9.158 737 3HG2 ILE 689 3HG2 ILE 689 180.488 -1.576 10.208 738 1HD1 ILE 689 1HD1 ILE 689 185.057 -0.498 11.244 739 2HD1 ILE 689 2HD1 ILE 689 184.957 -1.955 10.257 740 3HD1 ILE 689 3HD1 ILE 689 185.020 -2.083 12.015 741 H ILE 690 H ILE 690 181.971 -4.700 8.858 742 HA ILE 690 HA ILE 690 179.278 -4.740 8.165 743 HB ILE 690 HB ILE 690 181.450 -6.627 7.240 744 1HG1 ILE 690 1HG1 ILE 690 180.562 -3.879 6.403 745 2HG1 ILE 690 2HG1 ILE 690 182.191 -4.469 6.705 746 1HG2 ILE 690 1HG2 ILE 690 179.275 -5.996 5.390 747 2HG2 ILE 690 2HG2 ILE 690 178.744 -6.886 6.815 748 3HG2 ILE 690 3HG2 ILE 690 180.013 -7.548 5.785 749 1HD1 ILE 690 1HD1 ILE 690 182.408 -4.612 4.506 750 2HD1 ILE 690 2HD1 ILE 690 180.680 -4.374 4.248 751 3HD1 ILE 690 3HD1 ILE 690 181.309 -5.990 4.569 752 H LEU 691 H LEU 691 181.232 -7.488 9.391 753 HA LEU 691 HA LEU 691 179.268 -9.394 9.569 754 1HB LEU 691 1HB LEU 691 181.652 -8.817 11.281 755 2HB LEU 691 2HB LEU 691 180.556 -10.107 11.726 756 HG LEU 691 HG LEU 691 181.173 -11.443 9.969 757 1HD1 LEU 691 1HD1 LEU 691 182.221 -9.058 8.455 758 2HD1 LEU 691 2HD1 LEU 691 180.629 -9.779 8.220 759 3HD1 LEU 691 3HD1 LEU 691 182.082 -10.713 7.862 760 1HD2 LEU 691 1HD2 LEU 691 183.768 -10.694 9.569 761 2HD2 LEU 691 2HD2 LEU 691 183.180 -11.646 10.933 762 3HD2 LEU 691 3HD2 LEU 691 183.383 -9.902 11.096 763 H GLU 692 H GLU 692 180.065 -6.983 12.032 764 HA GLU 692 HA GLU 692 178.179 -7.695 13.944 765 1HB GLU 692 1HB GLU 692 179.487 -5.088 13.233 766 2HB GLU 692 2HB GLU 692 178.255 -5.148 14.485 767 1HG GLU 692 1HG GLU 692 180.234 -7.216 14.857 768 2HG GLU 692 2HG GLU 692 180.973 -5.618 14.781 769 H SER 693 H SER 693 177.782 -6.075 10.905 770 HA SER 693 HA SER 693 175.090 -5.178 11.541 771 1HB SER 693 1HB SER 693 176.433 -5.017 8.846 772 2HB SER 693 2HB SER 693 175.127 -4.015 9.478 773 HG SER 693 HG SER 693 177.727 -3.568 9.611 774 H LYS 694 H LYS 694 176.569 -7.974 10.277 775 HA LYS 694 HA LYS 694 174.685 -8.811 8.377 776 1HB LYS 694 1HB LYS 694 176.822 -10.073 9.945 777 2HB LYS 694 2HB LYS 694 175.515 -11.164 9.510 778 1HG LYS 694 1HG LYS 694 176.016 -9.818 7.162 779 2HG LYS 694 2HG LYS 694 177.621 -10.023 7.868 780 1HD LYS 694 1HD LYS 694 175.902 -12.402 8.001 781 2HD LYS 694 2HD LYS 694 176.335 -11.894 6.368 782 1HE LYS 694 1HE LYS 694 178.706 -11.901 7.010 783 2HE LYS 694 2HE LYS 694 178.258 -12.445 8.626 784 1HZ LYS 694 1HZ LYS 694 178.363 -13.932 6.131 785 2HZ LYS 694 2HZ LYS 694 177.061 -14.295 7.149 786 3HZ LYS 694 3HZ LYS 694 178.648 -14.452 7.716 787 H SER 695 H SER 695 174.466 -8.564 11.794 788 HA SER 695 HA SER 695 172.108 -10.308 11.859 789 1HB SER 695 1HB SER 695 174.047 -10.508 13.552 790 2HB SER 695 2HB SER 695 173.384 -9.041 14.273 791 HG SER 695 HG SER 695 172.090 -11.541 13.937 792 H GLU 696 H GLU 696 172.747 -7.141 11.284 793 HA GLU 696 HA GLU 696 170.671 -5.978 12.921 794 1HB GLU 696 1HB GLU 696 172.705 -4.982 11.005 795 2HB GLU 696 2HB GLU 696 171.239 -4.025 11.163 796 1HG GLU 696 1HG GLU 696 171.820 -4.395 13.756 797 2HG GLU 696 2HG GLU 696 173.443 -4.452 13.069 798 HA PRO 697 HA PRO 697 167.379 -6.646 10.046 799 1HB PRO 697 1HB PRO 697 165.653 -4.728 10.837 800 2HB PRO 697 2HB PRO 697 165.981 -6.166 11.812 801 1HG PRO 697 1HG PRO 697 167.089 -3.398 12.086 802 2HG PRO 697 2HG PRO 697 166.505 -4.498 13.348 803 1HD PRO 697 1HD PRO 697 169.143 -4.159 12.784 804 2HD PRO 697 2HD PRO 697 168.474 -5.683 13.401 805 H GLN 698 H GLN 698 169.220 -3.760 10.104 806 HA GLN 698 HA GLN 698 168.576 -3.233 7.342 807 1HB GLN 698 1HB GLN 698 166.808 -2.011 8.633 808 2HB GLN 698 2HB GLN 698 168.082 -1.054 9.375 809 1HG GLN 698 1HG GLN 698 168.641 -0.026 7.336 810 2HG GLN 698 2HG GLN 698 167.711 -1.198 6.402 811 1HE2 GLN 698 1HE2 GLN 698 166.739 0.706 5.444 812 2HE2 GLN 698 2HE2 GLN 698 165.423 1.482 6.251 813 H VAL 699 H VAL 699 170.005 -1.653 6.364 814 HA VAL 699 HA VAL 699 172.325 -0.866 7.953 815 HB VAL 699 HB VAL 699 172.411 -2.724 5.590 816 1HG1 VAL 699 1HG1 VAL 699 173.928 -0.929 4.995 817 2HG1 VAL 699 2HG1 VAL 699 174.850 -2.360 5.463 818 3HG1 VAL 699 3HG1 VAL 699 174.688 -1.009 6.586 819 1HG2 VAL 699 1HG2 VAL 699 172.789 -4.175 7.231 820 2HG2 VAL 699 2HG2 VAL 699 172.929 -2.886 8.424 821 3HG2 VAL 699 3HG2 VAL 699 174.341 -3.381 7.491 822 H GLU 700 H GLU 700 173.556 0.808 7.059 823 HA GLU 700 HA GLU 700 172.394 2.148 4.709 824 1HB GLU 700 1HB GLU 700 172.078 3.093 7.236 825 2HB GLU 700 2HB GLU 700 173.588 3.876 6.790 826 1HG GLU 700 1HG GLU 700 172.374 4.628 4.678 827 2HG GLU 700 2HG GLU 700 170.895 4.141 5.506 828 H ILE 701 H ILE 701 173.899 2.054 3.160 829 HA ILE 701 HA ILE 701 176.707 2.483 3.940 830 HB ILE 701 HB ILE 701 177.065 1.311 1.589 831 1HG1 ILE 701 1HG1 ILE 701 174.428 0.200 2.577 832 2HG1 ILE 701 2HG1 ILE 701 174.727 1.006 1.040 833 1HG2 ILE 701 1HG2 ILE 701 178.084 0.533 3.591 834 2HG2 ILE 701 2HG2 ILE 701 177.292 -0.848 2.831 835 3HG2 ILE 701 3HG2 ILE 701 176.544 -0.056 4.218 836 1HD1 ILE 701 1HD1 ILE 701 174.515 -1.510 0.991 837 2HD1 ILE 701 2HD1 ILE 701 176.085 -1.557 1.799 838 3HD1 ILE 701 3HD1 ILE 701 175.937 -0.824 0.200 839 H ILE 702 H ILE 702 177.875 3.999 2.930 840 HA ILE 702 HA ILE 702 176.534 5.551 0.813 841 HB ILE 702 HB ILE 702 178.684 6.635 2.619 842 1HG1 ILE 702 1HG1 ILE 702 176.929 5.950 4.117 843 2HG1 ILE 702 2HG1 ILE 702 176.824 7.697 3.925 844 1HG2 ILE 702 1HG2 ILE 702 176.527 8.272 1.400 845 2HG2 ILE 702 2HG2 ILE 702 177.807 7.665 0.351 846 3HG2 ILE 702 3HG2 ILE 702 178.209 8.682 1.735 847 1HD1 ILE 702 1HD1 ILE 702 175.144 5.847 2.274 848 2HD1 ILE 702 2HD1 ILE 702 174.891 7.555 2.635 849 3HD1 ILE 702 3HD1 ILE 702 174.660 6.344 3.896 850 H VAL 703 H VAL 703 177.729 6.188 -0.984 851 HA VAL 703 HA VAL 703 180.446 5.068 -1.185 852 HB VAL 703 HB VAL 703 179.915 4.610 -3.621 853 1HG1 VAL 703 1HG1 VAL 703 178.390 2.996 -1.581 854 2HG1 VAL 703 2HG1 VAL 703 180.123 2.869 -1.886 855 3HG1 VAL 703 3HG1 VAL 703 178.972 2.438 -3.150 856 1HG2 VAL 703 1HG2 VAL 703 177.128 5.075 -2.582 857 2HG2 VAL 703 2HG2 VAL 703 177.471 4.158 -4.048 858 3HG2 VAL 703 3HG2 VAL 703 177.925 5.858 -3.945 859 H SER 704 H SER 704 181.466 5.891 -3.345 860 HA SER 704 HA SER 704 180.800 8.700 -3.836 861 1HB SER 704 1HB SER 704 183.161 9.373 -3.573 862 2HB SER 704 2HB SER 704 182.496 8.747 -2.064 863 HG SER 704 HG SER 704 183.996 7.186 -3.896 864 H ARG 705 H ARG 705 180.724 9.049 -5.950 865 HA ARG 705 HA ARG 705 182.086 7.174 -7.741 866 1HB ARG 705 1HB ARG 705 179.701 8.948 -7.987 867 2HB ARG 705 2HB ARG 705 180.601 8.560 -9.446 868 1HG ARG 705 1HG ARG 705 180.200 6.146 -8.023 869 2HG ARG 705 2HG ARG 705 178.658 7.001 -8.083 870 1HD ARG 705 1HD ARG 705 180.419 6.362 -10.448 871 2HD ARG 705 2HD ARG 705 178.939 5.513 -10.005 872 HE ARG 705 HE ARG 705 179.151 8.041 -11.349 873 1HH1 ARG 705 1HH1 ARG 705 177.116 6.034 -9.347 874 2HH1 ARG 705 2HH1 ARG 705 175.648 6.797 -9.857 875 1HH2 ARG 705 1HH2 ARG 705 177.221 9.046 -12.022 876 2HH2 ARG 705 2HH2 ARG 705 175.707 8.506 -11.376 877 H GLU 943 H GLU 943 190.226 -11.231 -6.073 878 HA GLU 943 HA GLU 943 190.136 -10.122 -3.902 879 1HB GLU 943 1HB GLU 943 190.100 -9.149 -6.382 880 2HB GLU 943 2HB GLU 943 188.543 -8.525 -5.853 881 1HG GLU 943 1HG GLU 943 189.475 -6.956 -4.570 882 2HG GLU 943 2HG GLU 943 190.695 -8.062 -3.940 883 H GLU 944 H GLU 944 188.909 -10.447 -2.150 884 HA GLU 944 HA GLU 944 186.258 -9.335 -2.069 885 1HB GLU 944 1HB GLU 944 185.175 -11.385 -1.233 886 2HB GLU 944 2HB GLU 944 185.699 -11.530 -2.904 887 1HG GLU 944 1HG GLU 944 187.859 -12.472 -1.486 888 2HG GLU 944 2HG GLU 944 186.478 -13.061 -0.563 889 H GLY 945 H GLY 945 185.286 -9.873 0.253 890 1HA GLY 945 1HA GLY 945 187.282 -10.253 2.296 891 2HA GLY 945 2HA GLY 945 186.761 -8.585 2.139 892 H ILE 946 H ILE 946 184.020 -8.959 1.622 893 HA ILE 946 HA ILE 946 183.041 -10.543 3.878 894 HB ILE 946 HB ILE 946 181.606 -8.062 3.904 895 1HG1 ILE 946 1HG1 ILE 946 183.951 -7.311 3.024 896 2HG1 ILE 946 2HG1 ILE 946 183.197 -6.424 4.336 897 1HG2 ILE 946 1HG2 ILE 946 182.959 -9.884 5.752 898 2HG2 ILE 946 2HG2 ILE 946 181.421 -9.035 5.910 899 3HG2 ILE 946 3HG2 ILE 946 182.931 -8.204 6.288 900 1HD1 ILE 946 1HD1 ILE 946 185.713 -7.145 4.430 901 2HD1 ILE 946 2HD1 ILE 946 185.016 -8.650 5.028 902 3HD1 ILE 946 3HD1 ILE 946 184.699 -7.136 5.875 903 H TRP 947 H TRP 947 180.887 -11.123 3.764 904 HA TRP 947 HA TRP 947 179.692 -10.838 1.112 905 1HB TRP 947 1HB TRP 947 179.625 -12.893 3.189 906 2HB TRP 947 2HB TRP 947 178.028 -12.511 2.545 907 HD1 TRP 947 HD1 TRP 947 180.445 -15.004 1.986 908 HE1 TRP 947 HE1 TRP 947 180.527 -15.820 -0.454 909 HE3 TRP 947 HE3 TRP 947 177.941 -11.146 -0.248 910 HZ2 TRP 947 HZ2 TRP 947 179.647 -14.940 -2.993 911 HZ3 TRP 947 HZ3 TRP 947 177.603 -11.209 -2.684 912 HH2 TRP 947 HH2 TRP 947 178.438 -13.069 -4.026 913 H ALA 948 H ALA 948 178.079 -9.490 0.751 914 HA ALA 948 HA ALA 948 176.222 -8.798 2.867 915 1HB ALA 948 1HB ALA 948 176.611 -6.310 2.303 916 2HB ALA 948 2HB ALA 948 178.176 -6.853 1.696 917 3HB ALA 948 3HB ALA 948 177.745 -7.119 3.386 Start of MODEL 17 1 H HIS 597 H HIS 597 163.212 0.684 -2.672 2 HA HIS 597 HA HIS 597 162.545 3.520 -2.953 3 1HB HIS 597 1HB HIS 597 164.083 1.867 -0.938 4 2HB HIS 597 2HB HIS 597 163.867 3.612 -0.850 5 HD1 HIS 597 HD1 HIS 597 162.810 1.378 1.220 6 HD2 HIS 597 HD2 HIS 597 160.570 3.464 -1.592 7 HE1 HIS 597 HE1 HIS 597 160.443 1.321 2.070 8 HE2 HIS 597 HE2 HIS 597 159.098 2.553 0.331 9 HA PRO 598 HA PRO 598 166.328 3.437 -5.489 10 1HB PRO 598 1HB PRO 598 166.024 5.953 -6.466 11 2HB PRO 598 2HB PRO 598 165.176 4.553 -7.134 12 1HG PRO 598 1HG PRO 598 164.189 6.624 -5.209 13 2HG PRO 598 2HG PRO 598 163.367 5.921 -6.615 14 1HD PRO 598 1HD PRO 598 162.861 5.111 -4.088 15 2HD PRO 598 2HD PRO 598 162.786 4.003 -5.473 16 H VAL 599 H VAL 599 168.192 4.982 -5.636 17 HA VAL 599 HA VAL 599 168.634 6.254 -3.017 18 HB VAL 599 HB VAL 599 170.447 4.701 -4.817 19 1HG1 VAL 599 1HG1 VAL 599 171.339 6.892 -2.950 20 2HG1 VAL 599 2HG1 VAL 599 171.703 6.716 -4.667 21 3HG1 VAL 599 3HG1 VAL 599 172.397 5.591 -3.499 22 1HG2 VAL 599 1HG2 VAL 599 170.017 4.833 -1.838 23 2HG2 VAL 599 2HG2 VAL 599 171.175 3.773 -2.642 24 3HG2 VAL 599 3HG2 VAL 599 169.447 3.576 -2.936 25 H THR 600 H THR 600 169.817 8.203 -2.926 26 HA THR 600 HA THR 600 169.758 9.749 -5.437 27 HB THR 600 HB THR 600 169.692 11.688 -3.580 28 HG1 THR 600 HG1 THR 600 168.252 9.547 -2.408 29 1HG2 THR 600 1HG2 THR 600 168.032 11.707 -5.224 30 2HG2 THR 600 2HG2 THR 600 167.161 11.568 -3.697 31 3HG2 THR 600 3HG2 THR 600 167.389 10.145 -4.715 32 H TRP 601 H TRP 601 171.358 11.456 -5.642 33 HA TRP 601 HA TRP 601 173.775 11.027 -4.026 34 1HB TRP 601 1HB TRP 601 173.781 11.408 -7.025 35 2HB TRP 601 2HB TRP 601 175.177 11.108 -5.995 36 HD1 TRP 601 HD1 TRP 601 171.859 9.259 -6.843 37 HE1 TRP 601 HE1 TRP 601 172.385 6.746 -7.012 38 HE3 TRP 601 HE3 TRP 601 176.837 9.390 -5.680 39 HZ2 TRP 601 HZ2 TRP 601 174.614 5.043 -6.696 40 HZ3 TRP 601 HZ3 TRP 601 178.093 7.274 -5.635 41 HH2 TRP 601 HH2 TRP 601 177.002 5.147 -6.132 42 H GLN 602 H GLN 602 174.452 12.851 -3.136 43 HA GLN 602 HA GLN 602 173.694 15.406 -4.387 44 1HB GLN 602 1HB GLN 602 173.920 16.395 -2.154 45 2HB GLN 602 2HB GLN 602 172.761 15.073 -2.147 46 1HG GLN 602 1HG GLN 602 175.393 14.101 -1.530 47 2HG GLN 602 2HG GLN 602 174.956 15.433 -0.460 48 1HE2 GLN 602 1HE2 GLN 602 173.792 14.955 1.260 49 2HE2 GLN 602 2HE2 GLN 602 172.871 13.512 1.495 50 HA PRO 603 HA PRO 603 177.830 16.611 -5.282 51 1HB PRO 603 1HB PRO 603 177.950 19.060 -3.926 52 2HB PRO 603 2HB PRO 603 177.401 18.816 -5.586 53 1HG PRO 603 1HG PRO 603 175.806 19.091 -3.084 54 2HG PRO 603 2HG PRO 603 175.446 19.675 -4.719 55 1HD PRO 603 1HD PRO 603 174.215 17.524 -3.714 56 2HD PRO 603 2HD PRO 603 174.687 17.593 -5.425 57 H SER 604 H SER 604 179.637 15.853 -4.414 58 HA SER 604 HA SER 604 179.884 15.088 -1.731 59 1HB SER 604 1HB SER 604 181.184 14.142 -3.660 60 2HB SER 604 2HB SER 604 182.161 15.609 -3.652 61 HG SER 604 HG SER 604 183.241 14.827 -2.037 62 H LYS 605 H LYS 605 182.166 15.828 -0.641 63 HA LYS 605 HA LYS 605 181.648 18.533 0.204 64 1HB LYS 605 1HB LYS 605 182.661 16.297 1.440 65 2HB LYS 605 2HB LYS 605 184.102 17.272 1.194 66 1HG LYS 605 1HG LYS 605 183.250 17.800 3.339 67 2HG LYS 605 2HG LYS 605 182.899 19.174 2.289 68 1HD LYS 605 1HD LYS 605 180.650 18.805 2.327 69 2HD LYS 605 2HD LYS 605 180.831 17.059 2.506 70 1HE LYS 605 1HE LYS 605 180.328 17.330 4.657 71 2HE LYS 605 2HE LYS 605 181.901 18.104 4.844 72 1HZ LYS 605 1HZ LYS 605 179.251 19.348 4.533 73 2HZ LYS 605 2HZ LYS 605 180.639 20.200 4.078 74 3HZ LYS 605 3HZ LYS 605 180.457 19.674 5.674 75 H GLU 606 H GLU 606 183.480 17.175 -2.263 76 HA GLU 606 HA GLU 606 185.521 19.266 -2.189 77 1HB GLU 606 1HB GLU 606 185.240 16.644 -3.565 78 2HB GLU 606 2HB GLU 606 186.185 17.887 -4.375 79 1HG GLU 606 1HG GLU 606 187.863 17.794 -2.867 80 2HG GLU 606 2HG GLU 606 186.785 17.424 -1.522 81 H GLY 607 H GLY 607 182.498 18.639 -3.604 82 1HA GLY 607 1HA GLY 607 181.250 20.012 -4.984 83 2HA GLY 607 2HA GLY 607 182.649 21.061 -5.147 84 H ASP 608 H ASP 608 183.729 18.032 -5.861 85 HA ASP 608 HA ASP 608 183.069 18.322 -8.716 86 1HB ASP 608 1HB ASP 608 185.512 18.853 -7.785 87 2HB ASP 608 2HB ASP 608 185.674 17.106 -7.940 88 H ARG 609 H ARG 609 182.367 16.482 -6.206 89 HA ARG 609 HA ARG 609 182.309 14.029 -7.817 90 1HB ARG 609 1HB ARG 609 183.462 14.433 -5.124 91 2HB ARG 609 2HB ARG 609 182.467 12.996 -5.319 92 1HG ARG 609 1HG ARG 609 183.943 11.990 -6.714 93 2HG ARG 609 2HG ARG 609 184.511 13.516 -7.395 94 1HD ARG 609 1HD ARG 609 185.750 13.975 -5.341 95 2HD ARG 609 2HD ARG 609 185.169 12.462 -4.646 96 HE ARG 609 HE ARG 609 186.509 12.031 -7.119 97 1HH1 ARG 609 1HH1 ARG 609 187.058 12.663 -3.732 98 2HH1 ARG 609 2HH1 ARG 609 188.617 11.906 -3.715 99 1HH2 ARG 609 1HH2 ARG 609 188.556 11.035 -7.099 100 2HH2 ARG 609 2HH2 ARG 609 189.467 10.982 -5.627 101 H LEU 610 H LEU 610 180.677 12.447 -6.996 102 HA LEU 610 HA LEU 610 178.364 13.857 -5.833 103 1HB LEU 610 1HB LEU 610 178.626 12.521 -8.350 104 2HB LEU 610 2HB LEU 610 177.469 11.645 -7.365 105 HG LEU 610 HG LEU 610 176.392 13.318 -8.809 106 1HD1 LEU 610 1HD1 LEU 610 176.189 13.295 -5.878 107 2HD1 LEU 610 2HD1 LEU 610 174.949 13.049 -7.108 108 3HD1 LEU 610 3HD1 LEU 610 175.451 14.684 -6.674 109 1HD2 LEU 610 1HD2 LEU 610 176.775 15.753 -7.757 110 2HD2 LEU 610 2HD2 LEU 610 177.687 15.142 -9.137 111 3HD2 LEU 610 3HD2 LEU 610 178.385 15.073 -7.520 112 H ILE 611 H ILE 611 177.942 13.114 -3.873 113 HA ILE 611 HA ILE 611 178.566 10.316 -3.236 114 HB ILE 611 HB ILE 611 177.870 12.516 -1.290 115 1HG1 ILE 611 1HG1 ILE 611 179.902 13.145 -2.467 116 2HG1 ILE 611 2HG1 ILE 611 180.307 12.627 -0.834 117 1HG2 ILE 611 1HG2 ILE 611 177.838 9.849 -0.880 118 2HG2 ILE 611 2HG2 ILE 611 178.212 11.034 0.371 119 3HG2 ILE 611 3HG2 ILE 611 179.517 10.214 -0.485 120 1HD1 ILE 611 1HD1 ILE 611 181.829 11.824 -2.665 121 2HD1 ILE 611 2HD1 ILE 611 180.495 10.809 -3.215 122 3HD1 ILE 611 3HD1 ILE 611 181.177 10.574 -1.605 123 H GLY 612 H GLY 612 177.026 8.913 -2.477 124 1HA GLY 612 1HA GLY 612 174.263 9.938 -2.311 125 2HA GLY 612 2HA GLY 612 174.632 8.514 -3.274 126 H ARG 613 H ARG 613 172.767 8.539 -1.178 127 HA ARG 613 HA ARG 613 174.135 6.937 0.880 128 1HB ARG 613 1HB ARG 613 172.068 7.398 2.261 129 2HB ARG 613 2HB ARG 613 173.087 8.793 1.936 130 1HG ARG 613 1HG ARG 613 171.552 9.770 0.550 131 2HG ARG 613 2HG ARG 613 170.815 8.230 0.101 132 1HD ARG 613 1HD ARG 613 169.306 9.515 1.502 133 2HD ARG 613 2HD ARG 613 169.834 8.058 2.343 134 HE ARG 613 HE ARG 613 171.488 10.279 2.982 135 1HH1 ARG 613 1HH1 ARG 613 168.374 8.855 3.659 136 2HH1 ARG 613 2HH1 ARG 613 168.254 9.562 5.235 137 1HH2 ARG 613 1HH2 ARG 613 171.331 11.209 5.055 138 2HH2 ARG 613 2HH2 ARG 613 169.933 10.898 6.028 139 H VAL 614 H VAL 614 173.799 4.801 0.795 140 HA VAL 614 HA VAL 614 171.366 3.868 -0.571 141 HB VAL 614 HB VAL 614 174.013 2.430 -0.378 142 1HG1 VAL 614 1HG1 VAL 614 172.518 0.716 -0.645 143 2HG1 VAL 614 2HG1 VAL 614 172.799 1.152 -2.332 144 3HG1 VAL 614 3HG1 VAL 614 171.350 1.722 -1.503 145 1HG2 VAL 614 1HG2 VAL 614 174.670 3.344 -2.316 146 2HG2 VAL 614 2HG2 VAL 614 173.483 4.596 -1.952 147 3HG2 VAL 614 3HG2 VAL 614 173.054 3.256 -3.016 148 H ILE 615 H ILE 615 169.989 2.663 0.550 149 HA ILE 615 HA ILE 615 170.911 1.531 3.108 150 HB ILE 615 HB ILE 615 168.088 2.317 2.378 151 1HG1 ILE 615 1HG1 ILE 615 168.643 4.026 4.310 152 2HG1 ILE 615 2HG1 ILE 615 170.300 3.767 3.776 153 1HG2 ILE 615 1HG2 ILE 615 167.554 0.976 4.075 154 2HG2 ILE 615 2HG2 ILE 615 168.329 2.155 5.132 155 3HG2 ILE 615 3HG2 ILE 615 169.242 0.769 4.538 156 1HD1 ILE 615 1HD1 ILE 615 169.891 4.678 1.678 157 2HD1 ILE 615 2HD1 ILE 615 169.000 5.725 2.784 158 3HD1 ILE 615 3HD1 ILE 615 168.143 4.505 1.842 159 H LEU 616 H LEU 616 170.973 -0.616 3.211 160 HA LEU 616 HA LEU 616 169.275 -2.139 1.348 161 1HB LEU 616 1HB LEU 616 172.135 -2.331 1.988 162 2HB LEU 616 2HB LEU 616 171.292 -3.869 1.994 163 HG LEU 616 HG LEU 616 171.339 -1.926 -0.317 164 1HD1 LEU 616 1HD1 LEU 616 172.522 -4.572 -0.666 165 2HD1 LEU 616 2HD1 LEU 616 173.383 -3.555 0.491 166 3HD1 LEU 616 3HD1 LEU 616 173.116 -2.987 -1.159 167 1HD2 LEU 616 1HD2 LEU 616 169.903 -3.262 -1.423 168 2HD2 LEU 616 2HD2 LEU 616 169.381 -3.689 0.207 169 3HD2 LEU 616 3HD2 LEU 616 170.509 -4.731 -0.660 170 H ASN 617 H ASN 617 168.323 -4.039 2.081 171 HA ASN 617 HA ASN 617 168.403 -4.462 4.995 172 1HB ASN 617 1HB ASN 617 166.327 -3.293 4.307 173 2HB ASN 617 2HB ASN 617 165.954 -4.630 3.223 174 1HD2 ASN 617 1HD2 ASN 617 164.530 -3.538 5.568 175 2HD2 ASN 617 2HD2 ASN 617 164.294 -4.883 6.627 176 H LYS 618 H LYS 618 169.096 -6.438 5.476 177 HA LYS 618 HA LYS 618 169.050 -8.514 3.442 178 1HB LYS 618 1HB LYS 618 170.249 -9.785 5.423 179 2HB LYS 618 2HB LYS 618 171.112 -8.614 4.437 180 1HG LYS 618 1HG LYS 618 171.020 -6.973 6.117 181 2HG LYS 618 2HG LYS 618 169.794 -7.857 7.026 182 1HD LYS 618 1HD LYS 618 172.022 -8.025 8.061 183 2HD LYS 618 2HD LYS 618 171.402 -9.598 7.554 184 1HE LYS 618 1HE LYS 618 173.208 -7.979 5.788 185 2HE LYS 618 2HE LYS 618 173.856 -9.033 7.043 186 1HZ LYS 618 1HZ LYS 618 172.760 -9.708 4.486 187 2HZ LYS 618 2HZ LYS 618 172.061 -10.604 5.737 188 3HZ LYS 618 3HZ LYS 618 173.737 -10.626 5.516 189 H ARG 619 H ARG 619 167.516 -7.716 6.474 190 HA ARG 619 HA ARG 619 166.419 -10.228 7.090 191 1HB ARG 619 1HB ARG 619 166.193 -7.538 8.050 192 2HB ARG 619 2HB ARG 619 164.579 -8.218 7.888 193 1HG ARG 619 1HG ARG 619 166.522 -10.002 9.162 194 2HG ARG 619 2HG ARG 619 166.190 -8.517 10.054 195 1HD ARG 619 1HD ARG 619 163.688 -9.368 9.240 196 2HD ARG 619 2HD ARG 619 164.523 -10.865 9.653 197 HE ARG 619 HE ARG 619 164.809 -8.808 11.637 198 1HH1 ARG 619 1HH1 ARG 619 162.785 -11.413 10.496 199 2HH1 ARG 619 2HH1 ARG 619 162.038 -11.674 12.036 200 1HH2 ARG 619 1HH2 ARG 619 163.828 -9.150 13.663 201 2HH2 ARG 619 2HH2 ARG 619 162.629 -10.389 13.834 202 H THR 620 H THR 620 165.431 -7.713 4.872 203 HA THR 620 HA THR 620 162.934 -9.105 4.270 204 HB THR 620 HB THR 620 162.466 -7.145 2.819 205 HG1 THR 620 HG1 THR 620 163.899 -5.558 2.590 206 1HG2 THR 620 1HG2 THR 620 161.707 -7.000 5.103 207 2HG2 THR 620 2HG2 THR 620 162.291 -5.428 4.558 208 3HG2 THR 620 3HG2 THR 620 163.290 -6.420 5.620 209 H THR 621 H THR 621 163.475 -10.904 3.117 210 HA THR 621 HA THR 621 165.473 -11.132 1.193 211 HB THR 621 HB THR 621 164.407 -13.086 2.140 212 HG1 THR 621 HG1 THR 621 165.245 -13.302 0.030 213 1HG2 THR 621 1HG2 THR 621 162.007 -13.209 0.596 214 2HG2 THR 621 2HG2 THR 621 161.993 -11.769 1.615 215 3HG2 THR 621 3HG2 THR 621 162.227 -13.361 2.339 216 H MET 622 H MET 622 164.815 -11.823 -1.185 217 HA MET 622 HA MET 622 163.442 -9.492 -2.300 218 1HB MET 622 1HB MET 622 164.517 -10.213 -4.454 219 2HB MET 622 2HB MET 622 165.638 -9.745 -3.184 220 1HG MET 622 1HG MET 622 165.151 -12.544 -2.994 221 2HG MET 622 2HG MET 622 165.553 -12.143 -4.660 222 1HE MET 622 1HE MET 622 166.522 -10.666 -1.244 223 2HE MET 622 2HE MET 622 168.216 -11.125 -1.049 224 3HE MET 622 3HE MET 622 166.950 -12.351 -0.936 225 HA PRO 623 HA PRO 623 159.955 -11.617 -3.885 226 1HB PRO 623 1HB PRO 623 160.461 -10.636 -6.619 227 2HB PRO 623 2HB PRO 623 159.110 -10.296 -5.534 228 1HG PRO 623 1HG PRO 623 160.970 -8.444 -6.075 229 2HG PRO 623 2HG PRO 623 160.227 -8.574 -4.469 230 1HD PRO 623 1HD PRO 623 162.908 -9.536 -5.401 231 2HD PRO 623 2HD PRO 623 162.467 -8.738 -3.876 232 H LYS 624 H LYS 624 162.620 -11.833 -6.256 233 HA LYS 624 HA LYS 624 161.726 -14.030 -7.669 234 1HB LYS 624 1HB LYS 624 163.934 -14.292 -8.489 235 2HB LYS 624 2HB LYS 624 163.713 -12.573 -8.203 236 1HG LYS 624 1HG LYS 624 164.769 -13.337 -5.840 237 2HG LYS 624 2HG LYS 624 165.542 -14.485 -6.931 238 1HD LYS 624 1HD LYS 624 165.532 -11.778 -7.991 239 2HD LYS 624 2HD LYS 624 166.355 -11.886 -6.433 240 1HE LYS 624 1HE LYS 624 168.058 -12.319 -7.947 241 2HE LYS 624 2HE LYS 624 167.542 -13.934 -7.464 242 1HZ LYS 624 1HZ LYS 624 166.403 -14.239 -9.471 243 2HZ LYS 624 2HZ LYS 624 167.871 -13.531 -9.922 244 3HZ LYS 624 3HZ LYS 624 166.463 -12.596 -9.873 245 H GLU 625 H GLU 625 163.551 -13.993 -4.633 246 HA GLU 625 HA GLU 625 162.530 -16.403 -3.690 247 1HB GLU 625 1HB GLU 625 164.319 -17.982 -4.031 248 2HB GLU 625 2HB GLU 625 163.829 -17.363 -5.597 249 1HG GLU 625 1HG GLU 625 165.784 -16.239 -5.930 250 2HG GLU 625 2HG GLU 625 166.083 -16.020 -4.207 251 H SER 626 H SER 626 164.991 -17.340 -2.386 252 HA SER 626 HA SER 626 165.206 -15.206 -0.407 253 1HB SER 626 1HB SER 626 166.342 -17.986 -0.150 254 2HB SER 626 2HB SER 626 165.927 -16.851 1.134 255 HG SER 626 HG SER 626 163.868 -17.383 0.965 256 H GLY 627 H GLY 627 167.047 -14.097 -0.014 257 1HA GLY 627 1HA GLY 627 169.309 -14.641 -1.803 258 2HA GLY 627 2HA GLY 627 169.000 -13.126 -0.970 259 H ALA 628 H ALA 628 171.479 -13.846 -0.790 260 HA ALA 628 HA ALA 628 171.945 -15.561 1.498 261 1HB ALA 628 1HB ALA 628 174.346 -15.019 1.067 262 2HB ALA 628 2HB ALA 628 173.814 -14.033 -0.297 263 3HB ALA 628 3HB ALA 628 173.507 -15.769 -0.292 264 H LEU 629 H LEU 629 172.974 -12.254 0.685 265 HA LEU 629 HA LEU 629 172.648 -11.567 3.526 266 1HB LEU 629 1HB LEU 629 174.544 -9.986 1.894 267 2HB LEU 629 2HB LEU 629 174.599 -10.396 3.590 268 HG LEU 629 HG LEU 629 176.432 -11.466 2.542 269 1HD1 LEU 629 1HD1 LEU 629 174.775 -13.862 2.596 270 2HD1 LEU 629 2HD1 LEU 629 174.629 -12.829 4.018 271 3HD1 LEU 629 3HD1 LEU 629 176.211 -13.439 3.527 272 1HD2 LEU 629 1HD2 LEU 629 176.397 -11.932 0.385 273 2HD2 LEU 629 2HD2 LEU 629 174.649 -11.742 0.329 274 3HD2 LEU 629 3HD2 LEU 629 175.353 -13.307 0.731 275 H LEU 630 H LEU 630 173.393 -9.338 0.864 276 HA LEU 630 HA LEU 630 170.673 -8.274 1.096 277 1HB LEU 630 1HB LEU 630 172.122 -5.992 0.638 278 2HB LEU 630 2HB LEU 630 171.424 -6.479 2.167 279 HG LEU 630 HG LEU 630 174.219 -7.242 1.394 280 1HD1 LEU 630 1HD1 LEU 630 174.579 -5.007 1.358 281 2HD1 LEU 630 2HD1 LEU 630 174.659 -5.261 3.101 282 3HD1 LEU 630 3HD1 LEU 630 173.175 -4.656 2.366 283 1HD2 LEU 630 1HD2 LEU 630 173.707 -8.522 3.200 284 2HD2 LEU 630 2HD2 LEU 630 172.554 -7.352 3.841 285 3HD2 LEU 630 3HD2 LEU 630 174.287 -7.070 4.012 286 H GLY 631 H GLY 631 173.664 -8.375 -0.865 287 1HA GLY 631 1HA GLY 631 172.630 -9.065 -3.227 288 2HA GLY 631 2HA GLY 631 172.169 -7.378 -3.160 289 H LEU 632 H LEU 632 175.174 -7.793 -1.638 290 HA LEU 632 HA LEU 632 176.766 -7.788 -4.025 291 1HB LEU 632 1HB LEU 632 177.237 -5.603 -4.308 292 2HB LEU 632 2HB LEU 632 175.659 -5.406 -3.576 293 HG LEU 632 HG LEU 632 178.347 -5.046 -2.256 294 1HD1 LEU 632 1HD1 LEU 632 177.744 -2.785 -2.044 295 2HD1 LEU 632 2HD1 LEU 632 176.066 -3.109 -2.481 296 3HD1 LEU 632 3HD1 LEU 632 177.335 -3.230 -3.701 297 1HD2 LEU 632 1HD2 LEU 632 177.466 -5.363 -0.248 298 2HD2 LEU 632 2HD2 LEU 632 176.021 -6.004 -1.029 299 3HD2 LEU 632 3HD2 LEU 632 176.113 -4.293 -0.613 300 H LYS 633 H LYS 633 178.999 -7.953 -3.659 301 HA LYS 633 HA LYS 633 179.691 -8.602 -0.878 302 1HB LYS 633 1HB LYS 633 180.002 -10.247 -2.876 303 2HB LYS 633 2HB LYS 633 181.406 -9.260 -3.252 304 1HG LYS 633 1HG LYS 633 182.021 -9.672 -0.756 305 2HG LYS 633 2HG LYS 633 180.912 -11.037 -0.910 306 1HD LYS 633 1HD LYS 633 183.315 -10.505 -2.659 307 2HD LYS 633 2HD LYS 633 183.232 -11.692 -1.357 308 1HE LYS 633 1HE LYS 633 181.017 -12.170 -3.033 309 2HE LYS 633 2HE LYS 633 182.410 -11.941 -4.089 310 1HZ LYS 633 1HZ LYS 633 183.488 -13.752 -3.210 311 2HZ LYS 633 2HZ LYS 633 181.881 -14.276 -3.146 312 3HZ LYS 633 3HZ LYS 633 182.640 -13.704 -1.747 313 H VAL 634 H VAL 634 181.084 -7.349 0.224 314 HA VAL 634 HA VAL 634 182.494 -5.258 -1.297 315 HB VAL 634 HB VAL 634 181.189 -5.212 1.394 316 1HG1 VAL 634 1HG1 VAL 634 183.440 -3.389 0.540 317 2HG1 VAL 634 2HG1 VAL 634 183.457 -4.515 1.896 318 3HG1 VAL 634 3HG1 VAL 634 182.385 -3.113 1.926 319 1HG2 VAL 634 1HG2 VAL 634 179.759 -4.096 0.087 320 2HG2 VAL 634 2HG2 VAL 634 180.966 -3.849 -1.179 321 3HG2 VAL 634 3HG2 VAL 634 180.911 -2.765 0.211 322 H VAL 635 H VAL 635 184.526 -4.564 -0.557 323 HA VAL 635 HA VAL 635 186.028 -6.648 0.871 324 HB VAL 635 HB VAL 635 186.528 -5.220 -1.631 325 1HG1 VAL 635 1HG1 VAL 635 188.119 -3.975 -0.303 326 2HG1 VAL 635 2HG1 VAL 635 188.964 -5.095 -1.372 327 3HG1 VAL 635 3HG1 VAL 635 188.791 -5.473 0.342 328 1HG2 VAL 635 1HG2 VAL 635 188.124 -7.536 -0.721 329 2HG2 VAL 635 2HG2 VAL 635 187.349 -7.227 -2.276 330 3HG2 VAL 635 3HG2 VAL 635 186.383 -7.759 -0.897 331 H GLY 636 H GLY 636 187.920 -5.872 2.094 332 1HA GLY 636 1HA GLY 636 187.662 -3.081 2.993 333 2HA GLY 636 2HA GLY 636 187.641 -4.379 4.178 334 H GLY 637 H GLY 637 189.520 -2.122 3.793 335 1HA GLY 637 1HA GLY 637 191.774 -1.942 4.339 336 2HA GLY 637 2HA GLY 637 191.944 -3.674 4.096 337 H LYS 638 H LYS 638 190.869 -1.050 1.942 338 HA LYS 638 HA LYS 638 192.918 -1.937 0.022 339 1HB LYS 638 1HB LYS 638 190.194 -0.716 -0.399 340 2HB LYS 638 2HB LYS 638 191.399 -0.787 -1.677 341 1HG LYS 638 1HG LYS 638 190.416 -3.213 -0.197 342 2HG LYS 638 2HG LYS 638 189.694 -2.622 -1.695 343 1HD LYS 638 1HD LYS 638 191.550 -3.164 -2.958 344 2HD LYS 638 2HD LYS 638 192.639 -3.106 -1.570 345 1HE LYS 638 1HE LYS 638 192.512 -5.334 -1.563 346 2HE LYS 638 2HE LYS 638 190.887 -5.127 -0.912 347 1HZ LYS 638 1HZ LYS 638 191.712 -5.711 -3.677 348 2HZ LYS 638 2HZ LYS 638 190.227 -4.956 -3.383 349 3HZ LYS 638 3HZ LYS 638 190.544 -6.482 -2.727 350 H MET 639 H MET 639 194.576 -0.616 0.759 351 HA MET 639 HA MET 639 194.378 2.102 1.378 352 1HB MET 639 1HB MET 639 196.331 0.632 1.883 353 2HB MET 639 2HB MET 639 196.771 0.694 0.182 354 1HG MET 639 1HG MET 639 197.816 2.624 0.452 355 2HG MET 639 2HG MET 639 196.402 3.348 1.212 356 1HE MET 639 1HE MET 639 196.838 2.695 4.926 357 2HE MET 639 2HE MET 639 195.688 2.579 3.595 358 3HE MET 639 3HE MET 639 196.532 4.097 3.902 359 H THR 640 H THR 640 193.672 3.675 0.105 360 HA THR 640 HA THR 640 193.847 3.458 -2.775 361 HB THR 640 HB THR 640 192.676 5.733 -2.647 362 HG1 THR 640 HG1 THR 640 193.350 6.104 -0.436 363 1HG2 THR 640 1HG2 THR 640 191.247 3.498 -1.237 364 2HG2 THR 640 2HG2 THR 640 191.469 3.588 -2.985 365 3HG2 THR 640 3HG2 THR 640 190.533 4.828 -2.150 366 H ASP 641 H ASP 641 194.339 5.734 -3.866 367 HA ASP 641 HA ASP 641 197.121 6.160 -3.509 368 1HB ASP 641 1HB ASP 641 195.038 7.597 -5.154 369 2HB ASP 641 2HB ASP 641 196.743 8.035 -5.177 370 H LEU 642 H LEU 642 194.423 7.443 -1.908 371 HA LEU 642 HA LEU 642 195.531 10.029 -1.323 372 1HB LEU 642 1HB LEU 642 193.224 8.511 -0.106 373 2HB LEU 642 2HB LEU 642 193.653 10.158 0.319 374 HG LEU 642 HG LEU 642 191.830 10.276 -1.203 375 1HD1 LEU 642 1HD1 LEU 642 193.611 11.920 -1.556 376 2HD1 LEU 642 2HD1 LEU 642 192.772 11.531 -3.057 377 3HD1 LEU 642 3HD1 LEU 642 194.364 10.845 -2.733 378 1HD2 LEU 642 1HD2 LEU 642 191.603 9.087 -3.178 379 2HD2 LEU 642 2HD2 LEU 642 192.366 7.912 -2.109 380 3HD2 LEU 642 3HD2 LEU 642 193.334 8.772 -3.308 381 H GLY 643 H GLY 643 195.502 6.867 0.180 382 1HA GLY 643 1HA GLY 643 197.402 6.314 1.607 383 2HA GLY 643 2HA GLY 643 197.290 7.935 2.273 384 H ARG 644 H ARG 644 194.288 6.387 1.735 385 HA ARG 644 HA ARG 644 194.156 5.561 4.557 386 1HB ARG 644 1HB ARG 644 191.958 6.967 3.029 387 2HB ARG 644 2HB ARG 644 191.893 6.447 4.708 388 1HG ARG 644 1HG ARG 644 194.174 8.075 4.467 389 2HG ARG 644 2HG ARG 644 192.869 8.897 3.610 390 1HD ARG 644 1HD ARG 644 191.512 8.214 5.779 391 2HD ARG 644 2HD ARG 644 193.123 8.215 6.492 392 HE ARG 644 HE ARG 644 193.161 10.501 6.337 393 1HH1 ARG 644 1HH1 ARG 644 190.540 9.269 4.388 394 2HH1 ARG 644 2HH1 ARG 644 189.866 10.835 4.081 395 1HH2 ARG 644 1HH2 ARG 644 192.275 12.560 5.935 396 2HH2 ARG 644 2HH2 ARG 644 190.851 12.703 4.958 397 H LEU 645 H LEU 645 192.569 3.927 5.034 398 HA LEU 645 HA LEU 645 192.270 2.051 2.829 399 1HB LEU 645 1HB LEU 645 191.850 1.807 5.803 400 2HB LEU 645 2HB LEU 645 191.457 0.521 4.678 401 HG LEU 645 HG LEU 645 194.203 1.684 5.150 402 1HD1 LEU 645 1HD1 LEU 645 192.897 -0.036 6.761 403 2HD1 LEU 645 2HD1 LEU 645 194.645 -0.039 6.528 404 3HD1 LEU 645 3HD1 LEU 645 193.633 -1.165 5.623 405 1HD2 LEU 645 1HD2 LEU 645 193.101 0.100 2.973 406 2HD2 LEU 645 2HD2 LEU 645 194.476 -0.680 3.758 407 3HD2 LEU 645 3HD2 LEU 645 194.645 0.945 3.093 408 H GLY 646 H GLY 646 190.283 1.088 2.249 409 1HA GLY 646 1HA GLY 646 187.833 2.216 3.353 410 2HA GLY 646 2HA GLY 646 188.158 2.580 1.666 411 H ALA 647 H ALA 647 186.141 1.475 1.248 412 HA ALA 647 HA ALA 647 186.500 -1.450 1.165 413 1HB ALA 647 1HB ALA 647 184.170 0.153 2.067 414 2HB ALA 647 2HB ALA 647 184.799 -1.378 2.677 415 3HB ALA 647 3HB ALA 647 183.850 -1.344 1.189 416 H PHE 648 H PHE 648 185.430 -2.543 -0.581 417 HA PHE 648 HA PHE 648 184.487 -0.931 -2.811 418 1HB PHE 648 1HB PHE 648 186.976 -2.633 -2.923 419 2HB PHE 648 2HB PHE 648 186.073 -2.186 -4.367 420 HD1 PHE 648 HD1 PHE 648 188.057 -0.877 -1.551 421 HD2 PHE 648 HD2 PHE 648 186.255 -0.025 -5.310 422 HE1 PHE 648 HE1 PHE 648 189.292 1.248 -1.656 423 HE2 PHE 648 HE2 PHE 648 187.487 2.102 -5.424 424 HZ PHE 648 HZ PHE 648 189.010 2.740 -3.596 425 H ILE 649 H ILE 649 183.011 -1.996 -4.058 426 HA ILE 649 HA ILE 649 182.084 -4.543 -3.091 427 HB ILE 649 HB ILE 649 181.098 -2.760 -5.318 428 1HG1 ILE 649 1HG1 ILE 649 179.546 -3.440 -2.854 429 2HG1 ILE 649 2HG1 ILE 649 180.861 -2.275 -2.725 430 1HG2 ILE 649 1HG2 ILE 649 179.108 -4.210 -5.398 431 2HG2 ILE 649 2HG2 ILE 649 179.905 -5.334 -4.299 432 3HG2 ILE 649 3HG2 ILE 649 180.575 -5.047 -5.904 433 1HD1 ILE 649 1HD1 ILE 649 178.573 -1.317 -3.112 434 2HD1 ILE 649 2HD1 ILE 649 178.643 -2.011 -4.733 435 3HD1 ILE 649 3HD1 ILE 649 179.822 -0.794 -4.242 436 H THR 650 H THR 650 182.821 -6.435 -3.768 437 HA THR 650 HA THR 650 184.501 -6.649 -6.083 438 HB THR 650 HB THR 650 184.987 -8.822 -5.384 439 HG1 THR 650 HG1 THR 650 182.996 -9.753 -5.316 440 1HG2 THR 650 1HG2 THR 650 185.867 -8.354 -3.415 441 2HG2 THR 650 2HG2 THR 650 184.276 -8.346 -2.653 442 3HG2 THR 650 3HG2 THR 650 184.911 -6.871 -3.385 443 H LYS 651 H LYS 651 181.163 -7.413 -5.322 444 HA LYS 651 HA LYS 651 180.472 -7.578 -8.072 445 1HB LYS 651 1HB LYS 651 179.842 -9.898 -8.233 446 2HB LYS 651 2HB LYS 651 181.537 -9.799 -7.782 447 1HG LYS 651 1HG LYS 651 180.765 -10.110 -5.383 448 2HG LYS 651 2HG LYS 651 179.195 -10.549 -6.063 449 1HD LYS 651 1HD LYS 651 181.570 -11.903 -7.199 450 2HD LYS 651 2HD LYS 651 181.116 -12.342 -5.551 451 1HE LYS 651 1HE LYS 651 179.725 -13.794 -6.546 452 2HE LYS 651 2HE LYS 651 178.702 -12.382 -6.806 453 1HZ LYS 651 1HZ LYS 651 179.147 -12.356 -8.999 454 2HZ LYS 651 2HZ LYS 651 179.504 -13.993 -8.759 455 3HZ LYS 651 3HZ LYS 651 180.753 -12.854 -8.809 456 H VAL 652 H VAL 652 178.220 -7.848 -8.443 457 HA VAL 652 HA VAL 652 176.543 -7.530 -6.037 458 HB VAL 652 HB VAL 652 175.103 -6.241 -7.982 459 1HG1 VAL 652 1HG1 VAL 652 177.069 -4.870 -6.162 460 2HG1 VAL 652 2HG1 VAL 652 175.544 -5.570 -5.617 461 3HG1 VAL 652 3HG1 VAL 652 175.539 -4.238 -6.776 462 1HG2 VAL 652 1HG2 VAL 652 177.906 -5.219 -8.327 463 2HG2 VAL 652 2HG2 VAL 652 176.459 -4.806 -9.248 464 3HG2 VAL 652 3HG2 VAL 652 177.192 -6.400 -9.427 465 H LYS 653 H LYS 653 174.756 -8.778 -5.927 466 HA LYS 653 HA LYS 653 174.376 -10.788 -7.961 467 1HB LYS 653 1HB LYS 653 174.093 -10.892 -5.306 468 2HB LYS 653 2HB LYS 653 172.434 -10.483 -5.727 469 1HG LYS 653 1HG LYS 653 173.577 -12.649 -7.329 470 2HG LYS 653 2HG LYS 653 173.448 -13.005 -5.605 471 1HD LYS 653 1HD LYS 653 171.125 -11.788 -7.033 472 2HD LYS 653 2HD LYS 653 171.449 -13.513 -7.218 473 1HE LYS 653 1HE LYS 653 171.495 -12.459 -4.460 474 2HE LYS 653 2HE LYS 653 169.922 -12.487 -5.257 475 1HZ LYS 653 1HZ LYS 653 170.231 -14.843 -5.703 476 2HZ LYS 653 2HZ LYS 653 170.331 -14.532 -4.043 477 3HZ LYS 653 3HZ LYS 653 171.740 -14.814 -4.936 478 H LYS 654 H LYS 654 173.378 -10.171 -9.777 479 HA LYS 654 HA LYS 654 171.585 -8.045 -10.044 480 1HB LYS 654 1HB LYS 654 172.364 -10.377 -11.716 481 2HB LYS 654 2HB LYS 654 170.882 -9.537 -12.149 482 1HG LYS 654 1HG LYS 654 172.085 -8.030 -13.229 483 2HG LYS 654 2HG LYS 654 172.822 -7.551 -11.699 484 1HD LYS 654 1HD LYS 654 174.683 -8.104 -12.936 485 2HD LYS 654 2HD LYS 654 174.348 -9.635 -12.126 486 1HE LYS 654 1HE LYS 654 173.132 -10.401 -14.120 487 2HE LYS 654 2HE LYS 654 173.516 -8.881 -14.926 488 1HZ LYS 654 1HZ LYS 654 174.998 -10.825 -15.456 489 2HZ LYS 654 2HZ LYS 654 175.606 -10.702 -13.882 490 3HZ LYS 654 3HZ LYS 654 175.792 -9.414 -14.963 491 H GLY 655 H GLY 655 169.801 -7.954 -8.794 492 1HA GLY 655 1HA GLY 655 167.404 -8.701 -9.086 493 2HA GLY 655 2HA GLY 655 168.028 -10.316 -8.781 494 H SER 656 H SER 656 169.953 -9.140 -6.780 495 HA SER 656 HA SER 656 168.257 -9.449 -4.499 496 1HB SER 656 1HB SER 656 171.172 -9.098 -4.975 497 2HB SER 656 2HB SER 656 170.556 -8.643 -3.387 498 HG SER 656 HG SER 656 169.981 -10.691 -2.999 499 H LEU 657 H LEU 657 168.430 -7.865 -2.643 500 HA LEU 657 HA LEU 657 167.185 -5.490 -3.249 501 1HB LEU 657 1HB LEU 657 168.952 -6.007 -0.864 502 2HB LEU 657 2HB LEU 657 167.708 -4.778 -0.979 503 HG LEU 657 HG LEU 657 166.532 -7.323 -1.551 504 1HD1 LEU 657 1HD1 LEU 657 167.985 -8.594 -0.338 505 2HD1 LEU 657 2HD1 LEU 657 166.899 -8.075 0.952 506 3HD1 LEU 657 3HD1 LEU 657 168.446 -7.260 0.719 507 1HD2 LEU 657 1HD2 LEU 657 166.169 -5.032 0.252 508 2HD2 LEU 657 2HD2 LEU 657 165.524 -6.562 0.844 509 3HD2 LEU 657 3HD2 LEU 657 164.988 -5.921 -0.709 510 H ALA 658 H ALA 658 170.623 -5.945 -2.515 511 HA ALA 658 HA ALA 658 171.536 -3.371 -2.633 512 1HB ALA 658 1HB ALA 658 173.159 -5.448 -4.015 513 2HB ALA 658 2HB ALA 658 172.774 -5.667 -2.308 514 3HB ALA 658 3HB ALA 658 173.647 -4.229 -2.837 515 H ASP 659 H ASP 659 170.442 -5.337 -5.284 516 HA ASP 659 HA ASP 659 171.505 -3.512 -7.275 517 1HB ASP 659 1HB ASP 659 171.298 -6.113 -7.446 518 2HB ASP 659 2HB ASP 659 169.640 -5.762 -7.924 519 H VAL 660 H VAL 660 168.296 -4.664 -6.278 520 HA VAL 660 HA VAL 660 166.932 -2.820 -7.981 521 HB VAL 660 HB VAL 660 164.910 -3.489 -6.501 522 1HG1 VAL 660 1HG1 VAL 660 166.432 -5.313 -8.334 523 2HG1 VAL 660 2HG1 VAL 660 165.023 -4.314 -8.689 524 3HG1 VAL 660 3HG1 VAL 660 164.854 -5.750 -7.681 525 1HG2 VAL 660 1HG2 VAL 660 165.103 -5.440 -5.188 526 2HG2 VAL 660 2HG2 VAL 660 166.431 -4.396 -4.686 527 3HG2 VAL 660 3HG2 VAL 660 166.739 -5.759 -5.762 528 H VAL 661 H VAL 661 167.568 -2.884 -4.474 529 HA VAL 661 HA VAL 661 166.374 -0.218 -4.267 530 HB VAL 661 HB VAL 661 165.657 -1.889 -2.612 531 1HG1 VAL 661 1HG1 VAL 661 167.410 -3.324 -2.216 532 2HG1 VAL 661 2HG1 VAL 661 167.426 -2.332 -0.759 533 3HG1 VAL 661 3HG1 VAL 661 168.583 -2.019 -2.051 534 1HG2 VAL 661 1HG2 VAL 661 165.444 0.343 -1.900 535 2HG2 VAL 661 2HG2 VAL 661 167.179 0.507 -1.629 536 3HG2 VAL 661 3HG2 VAL 661 166.211 -0.503 -0.556 537 H GLY 662 H GLY 662 169.445 -1.870 -4.051 538 1HA GLY 662 1HA GLY 662 170.822 0.385 -2.891 539 2HA GLY 662 2HA GLY 662 171.562 -1.086 -3.504 540 H HIS 663 H HIS 663 171.083 -1.250 -6.044 541 HA HIS 663 HA HIS 663 171.482 -0.455 -8.129 542 1HB HIS 663 1HB HIS 663 170.271 1.775 -6.788 543 2HB HIS 663 2HB HIS 663 171.526 2.362 -7.872 544 HD1 HIS 663 HD1 HIS 663 171.006 2.377 -10.332 545 HD2 HIS 663 HD2 HIS 663 168.201 0.265 -8.111 546 HE1 HIS 663 HE1 HIS 663 169.140 1.851 -11.933 547 HE2 HIS 663 HE2 HIS 663 167.506 0.479 -10.593 548 H LEU 664 H LEU 664 173.673 -1.318 -7.141 549 HA LEU 664 HA LEU 664 175.659 0.679 -7.905 550 1HB LEU 664 1HB LEU 664 177.139 -0.357 -6.016 551 2HB LEU 664 2HB LEU 664 176.045 0.963 -5.670 552 HG LEU 664 HG LEU 664 176.069 -0.835 -3.950 553 1HD1 LEU 664 1HD1 LEU 664 173.334 -0.894 -5.060 554 2HD1 LEU 664 2HD1 LEU 664 174.038 0.690 -4.741 555 3HD1 LEU 664 3HD1 LEU 664 173.895 -0.490 -3.438 556 1HD2 LEU 664 1HD2 LEU 664 174.464 -2.533 -5.798 557 2HD2 LEU 664 2HD2 LEU 664 175.362 -2.980 -4.348 558 3HD2 LEU 664 3HD2 LEU 664 176.225 -2.621 -5.846 559 H ARG 665 H ARG 665 177.893 -0.486 -8.056 560 HA ARG 665 HA ARG 665 177.564 -3.244 -8.957 561 1HB ARG 665 1HB ARG 665 178.696 -1.035 -10.676 562 2HB ARG 665 2HB ARG 665 178.777 -2.748 -11.065 563 1HG ARG 665 1HG ARG 665 176.419 -2.889 -11.313 564 2HG ARG 665 2HG ARG 665 176.192 -1.271 -10.646 565 1HD ARG 665 1HD ARG 665 176.130 -0.624 -12.792 566 2HD ARG 665 2HD ARG 665 177.883 -0.771 -12.718 567 HE ARG 665 HE ARG 665 176.037 -2.527 -14.086 568 1HH1 ARG 665 1HH1 ARG 665 179.274 -2.105 -12.842 569 2HH1 ARG 665 2HH1 ARG 665 179.955 -3.330 -13.858 570 1HH2 ARG 665 1HH2 ARG 665 176.936 -4.136 -15.422 571 2HH2 ARG 665 2HH2 ARG 665 178.631 -4.481 -15.323 572 H ALA 666 H ALA 666 179.657 -4.295 -9.448 573 HA ALA 666 HA ALA 666 181.440 -4.049 -7.328 574 1HB ALA 666 1HB ALA 666 181.051 -5.973 -9.054 575 2HB ALA 666 2HB ALA 666 182.623 -5.772 -8.280 576 3HB ALA 666 3HB ALA 666 182.368 -5.184 -9.923 577 H GLY 667 H GLY 667 182.995 -2.645 -6.894 578 1HA GLY 667 1HA GLY 667 185.090 -1.640 -7.834 579 2HA GLY 667 2HA GLY 667 184.065 -1.030 -9.127 580 H ASP 668 H ASP 668 181.894 -0.583 -7.063 581 HA ASP 668 HA ASP 668 182.458 2.148 -6.556 582 1HB ASP 668 1HB ASP 668 180.258 0.256 -5.881 583 2HB ASP 668 2HB ASP 668 180.378 1.734 -4.933 584 H GLU 669 H GLU 669 183.060 3.201 -4.700 585 HA GLU 669 HA GLU 669 184.217 1.493 -2.618 586 1HB GLU 669 1HB GLU 669 185.607 3.231 -3.871 587 2HB GLU 669 2HB GLU 669 184.703 4.444 -2.976 588 1HG GLU 669 1HG GLU 669 185.458 3.149 -0.884 589 2HG GLU 669 2HG GLU 669 186.650 2.418 -1.957 590 H VAL 670 H VAL 670 183.049 1.209 -0.847 591 HA VAL 670 HA VAL 670 181.055 3.210 -0.104 592 HB VAL 670 HB VAL 670 181.504 0.377 0.835 593 1HG1 VAL 670 1HG1 VAL 670 179.861 2.554 2.024 594 2HG1 VAL 670 2HG1 VAL 670 180.715 1.224 2.806 595 3HG1 VAL 670 3HG1 VAL 670 179.185 0.926 1.983 596 1HG2 VAL 670 1HG2 VAL 670 180.374 0.922 -1.396 597 2HG2 VAL 670 2HG2 VAL 670 179.035 1.531 -0.421 598 3HG2 VAL 670 3HG2 VAL 670 179.525 -0.159 -0.291 599 H LEU 671 H LEU 671 181.977 4.829 1.016 600 HA LEU 671 HA LEU 671 184.072 4.322 2.942 601 1HB LEU 671 1HB LEU 671 182.626 6.914 2.416 602 2HB LEU 671 2HB LEU 671 184.166 6.708 3.226 603 HG LEU 671 HG LEU 671 184.814 7.471 1.147 604 1HD1 LEU 671 1HD1 LEU 671 185.560 4.982 1.786 605 2HD1 LEU 671 2HD1 LEU 671 186.135 5.826 0.349 606 3HD1 LEU 671 3HD1 LEU 671 184.809 4.670 0.221 607 1HD2 LEU 671 1HD2 LEU 671 183.679 7.261 -0.825 608 2HD2 LEU 671 2HD2 LEU 671 182.348 7.078 0.319 609 3HD2 LEU 671 3HD2 LEU 671 183.069 5.654 -0.431 610 H GLU 672 H GLU 672 180.840 3.879 3.079 611 HA GLU 672 HA GLU 672 180.819 4.209 5.978 612 1HB GLU 672 1HB GLU 672 178.765 5.386 4.112 613 2HB GLU 672 2HB GLU 672 178.519 5.206 5.844 614 1HG GLU 672 1HG GLU 672 180.782 6.540 5.963 615 2HG GLU 672 2HG GLU 672 180.286 7.074 4.358 616 H TRP 673 H TRP 673 180.023 2.462 6.933 617 HA TRP 673 HA TRP 673 178.074 0.795 5.483 618 1HB TRP 673 1HB TRP 673 180.450 -0.141 5.468 619 2HB TRP 673 2HB TRP 673 180.275 -0.346 7.209 620 HD1 TRP 673 HD1 TRP 673 178.383 -2.138 8.031 621 HE1 TRP 673 HE1 TRP 673 177.489 -4.253 6.865 622 HE3 TRP 673 HE3 TRP 673 179.889 -1.125 3.257 623 HZ2 TRP 673 HZ2 TRP 673 177.432 -5.344 4.254 624 HZ3 TRP 673 HZ3 TRP 673 179.371 -2.749 1.488 625 HH2 TRP 673 HH2 TRP 673 178.173 -4.821 1.978 626 H ASN 674 H ASN 674 176.253 0.775 6.629 627 HA ASN 674 HA ASN 674 174.792 0.667 8.369 628 1HB ASN 674 1HB ASN 674 176.413 -1.253 8.998 629 2HB ASN 674 2HB ASN 674 177.046 -0.130 10.197 630 1HD2 ASN 674 1HD2 ASN 674 174.017 -1.551 9.045 631 2HD2 ASN 674 2HD2 ASN 674 173.264 -1.634 10.597 632 H GLY 675 H GLY 675 176.063 3.106 7.751 633 1HA GLY 675 1HA GLY 675 176.093 5.251 8.569 634 2HA GLY 675 2HA GLY 675 175.350 4.629 10.033 635 H LYS 676 H LYS 676 178.350 3.179 9.126 636 HA LYS 676 HA LYS 676 179.663 4.693 11.283 637 1HB LYS 676 1HB LYS 676 180.279 2.708 12.096 638 2HB LYS 676 2HB LYS 676 179.446 1.905 10.777 639 1HG LYS 676 1HG LYS 676 181.409 1.111 10.109 640 2HG LYS 676 2HG LYS 676 181.904 2.753 9.690 641 1HD LYS 676 1HD LYS 676 183.509 1.630 11.186 642 2HD LYS 676 2HD LYS 676 182.809 3.074 11.918 643 1HE LYS 676 1HE LYS 676 181.223 0.740 12.519 644 2HE LYS 676 2HE LYS 676 182.902 0.502 13.002 645 1HZ LYS 676 1HZ LYS 676 180.920 2.379 14.029 646 2HZ LYS 676 2HZ LYS 676 182.518 2.928 13.949 647 3HZ LYS 676 3HZ LYS 676 182.144 1.542 14.845 648 HA PRO 677 HA PRO 677 182.507 6.167 8.228 649 1HB PRO 677 1HB PRO 677 184.456 7.121 9.799 650 2HB PRO 677 2HB PRO 677 182.861 7.883 9.760 651 1HG PRO 677 1HG PRO 677 184.023 6.022 11.789 652 2HG PRO 677 2HG PRO 677 183.009 7.456 12.034 653 1HD PRO 677 1HD PRO 677 182.090 4.845 12.060 654 2HD PRO 677 2HD PRO 677 181.081 6.270 11.754 655 H LEU 678 H LEU 678 183.614 4.789 7.025 656 HA LEU 678 HA LEU 678 185.237 2.709 8.221 657 1HB LEU 678 1HB LEU 678 184.592 3.223 5.323 658 2HB LEU 678 2HB LEU 678 185.388 1.797 5.962 659 HG LEU 678 HG LEU 678 182.562 2.636 6.616 660 1HD1 LEU 678 1HD1 LEU 678 183.544 1.449 4.282 661 2HD1 LEU 678 2HD1 LEU 678 181.864 1.565 4.806 662 3HD1 LEU 678 3HD1 LEU 678 182.820 0.141 5.217 663 1HD2 LEU 678 1HD2 LEU 678 182.349 0.573 7.766 664 2HD2 LEU 678 2HD2 LEU 678 183.823 1.335 8.365 665 3HD2 LEU 678 3HD2 LEU 678 183.927 0.015 7.199 666 HA PRO 679 HA PRO 679 188.278 5.525 5.299 667 1HB PRO 679 1HB PRO 679 187.634 7.757 7.198 668 2HB PRO 679 2HB PRO 679 188.233 7.839 5.536 669 1HG PRO 679 1HG PRO 679 185.659 8.246 6.051 670 2HG PRO 679 2HG PRO 679 186.161 7.326 4.621 671 1HD PRO 679 1HD PRO 679 184.934 6.373 7.148 672 2HD PRO 679 2HD PRO 679 184.839 5.683 5.516 673 H GLY 680 H GLY 680 189.947 4.364 6.072 674 1HA GLY 680 1HA GLY 680 191.951 4.469 7.404 675 2HA GLY 680 2HA GLY 680 190.982 5.092 8.733 676 H ALA 681 H ALA 681 189.147 2.734 7.416 677 HA ALA 681 HA ALA 681 189.932 0.826 9.470 678 1HB ALA 681 1HB ALA 681 187.629 1.198 9.497 679 2HB ALA 681 2HB ALA 681 187.790 -0.333 8.638 680 3HB ALA 681 3HB ALA 681 187.506 1.154 7.739 681 H THR 682 H THR 682 190.952 -1.044 9.082 682 HA THR 682 HA THR 682 191.718 -1.657 6.347 683 HB THR 682 HB THR 682 193.516 -1.749 7.899 684 HG1 THR 682 HG1 THR 682 193.718 -3.441 6.516 685 1HG2 THR 682 1HG2 THR 682 191.769 -3.514 9.581 686 2HG2 THR 682 2HG2 THR 682 192.461 -1.947 10.001 687 3HG2 THR 682 3HG2 THR 682 193.509 -3.352 9.811 688 H ASN 683 H ASN 683 191.922 -4.207 6.019 689 HA ASN 683 HA ASN 683 189.418 -5.179 5.445 690 1HB ASN 683 1HB ASN 683 190.470 -7.381 5.185 691 2HB ASN 683 2HB ASN 683 191.480 -6.110 4.501 692 1HD2 ASN 683 1HD2 ASN 683 193.395 -5.542 5.534 693 2HD2 ASN 683 2HD2 ASN 683 194.137 -6.566 6.710 694 H GLU 684 H GLU 684 191.364 -5.884 8.336 695 HA GLU 684 HA GLU 684 189.439 -7.630 9.481 696 1HB GLU 684 1HB GLU 684 191.989 -6.401 10.316 697 2HB GLU 684 2HB GLU 684 190.880 -6.780 11.627 698 1HG GLU 684 1HG GLU 684 190.719 -9.103 10.586 699 2HG GLU 684 2HG GLU 684 192.138 -8.642 9.646 700 H GLU 685 H GLU 685 189.914 -4.175 9.565 701 HA GLU 685 HA GLU 685 188.286 -3.644 11.823 702 1HB GLU 685 1HB GLU 685 189.945 -2.080 10.606 703 2HB GLU 685 2HB GLU 685 188.614 -1.756 9.506 704 1HG GLU 685 1HG GLU 685 188.093 -0.116 10.920 705 2HG GLU 685 2HG GLU 685 187.431 -1.397 11.934 706 H VAL 686 H VAL 686 187.589 -3.175 8.353 707 HA VAL 686 HA VAL 686 184.876 -2.699 8.542 708 HB VAL 686 HB VAL 686 186.418 -4.102 6.357 709 1HG1 VAL 686 1HG1 VAL 686 183.592 -3.053 6.310 710 2HG1 VAL 686 2HG1 VAL 686 184.100 -4.735 6.156 711 3HG1 VAL 686 3HG1 VAL 686 184.504 -3.573 4.892 712 1HG2 VAL 686 1HG2 VAL 686 185.381 -1.276 6.483 713 2HG2 VAL 686 2HG2 VAL 686 186.431 -1.978 5.252 714 3HG2 VAL 686 3HG2 VAL 686 187.030 -1.747 6.894 715 H TYR 687 H TYR 687 186.606 -5.769 8.446 716 HA TYR 687 HA TYR 687 184.575 -7.576 8.088 717 1HB TYR 687 1HB TYR 687 187.152 -7.619 9.559 718 2HB TYR 687 2HB TYR 687 186.009 -8.898 9.949 719 HD1 TYR 687 HD1 TYR 687 187.310 -10.702 9.070 720 HD2 TYR 687 HD2 TYR 687 186.310 -7.387 6.601 721 HE1 TYR 687 HE1 TYR 687 188.053 -11.959 7.092 722 HE2 TYR 687 HE2 TYR 687 187.050 -8.633 4.613 723 HH TYR 687 HH TYR 687 188.777 -10.640 4.240 724 H ASN 688 H ASN 688 185.634 -6.200 11.177 725 HA ASN 688 HA ASN 688 183.602 -7.429 12.722 726 1HB ASN 688 1HB ASN 688 185.663 -5.342 13.159 727 2HB ASN 688 2HB ASN 688 184.278 -5.309 14.246 728 1HD2 ASN 688 1HD2 ASN 688 185.934 -8.044 12.736 729 2HD2 ASN 688 2HD2 ASN 688 186.385 -8.812 14.216 730 H ILE 689 H ILE 689 183.876 -4.300 11.120 731 HA ILE 689 HA ILE 689 181.582 -3.100 12.203 732 HB ILE 689 HB ILE 689 183.137 -2.649 9.674 733 1HG1 ILE 689 1HG1 ILE 689 183.039 -0.297 11.036 734 2HG1 ILE 689 2HG1 ILE 689 182.909 -1.448 12.360 735 1HG2 ILE 689 1HG2 ILE 689 180.584 -1.252 10.455 736 2HG2 ILE 689 2HG2 ILE 689 180.893 -2.172 8.982 737 3HG2 ILE 689 3HG2 ILE 689 181.724 -0.641 9.255 738 1HD1 ILE 689 1HD1 ILE 689 185.234 -0.569 11.473 739 2HD1 ILE 689 2HD1 ILE 689 185.028 -1.908 10.345 740 3HD1 ILE 689 3HD1 ILE 689 185.025 -2.211 12.082 741 H ILE 690 H ILE 690 181.932 -4.525 8.939 742 HA ILE 690 HA ILE 690 179.226 -4.499 8.301 743 HB ILE 690 HB ILE 690 181.335 -6.434 7.336 744 1HG1 ILE 690 1HG1 ILE 690 180.470 -3.679 6.510 745 2HG1 ILE 690 2HG1 ILE 690 182.095 -4.304 6.739 746 1HG2 ILE 690 1HG2 ILE 690 179.080 -7.279 6.923 747 2HG2 ILE 690 2HG2 ILE 690 179.857 -6.795 5.415 748 3HG2 ILE 690 3HG2 ILE 690 178.640 -5.754 6.153 749 1HD1 ILE 690 1HD1 ILE 690 180.980 -5.782 4.632 750 2HD1 ILE 690 2HD1 ILE 690 182.245 -4.556 4.553 751 3HD1 ILE 690 3HD1 ILE 690 180.557 -4.096 4.346 752 H LEU 691 H LEU 691 181.128 -7.308 9.457 753 HA LEU 691 HA LEU 691 179.121 -9.157 9.672 754 1HB LEU 691 1HB LEU 691 181.585 -8.669 11.282 755 2HB LEU 691 2HB LEU 691 180.456 -9.901 11.810 756 HG LEU 691 HG LEU 691 180.900 -11.284 10.023 757 1HD1 LEU 691 1HD1 LEU 691 181.969 -8.914 8.497 758 2HD1 LEU 691 2HD1 LEU 691 180.396 -9.677 8.263 759 3HD1 LEU 691 3HD1 LEU 691 181.874 -10.570 7.899 760 1HD2 LEU 691 1HD2 LEU 691 182.926 -10.823 11.476 761 2HD2 LEU 691 2HD2 LEU 691 183.525 -9.830 10.149 762 3HD2 LEU 691 3HD2 LEU 691 183.236 -11.552 9.900 763 H GLU 692 H GLU 692 180.055 -6.818 12.160 764 HA GLU 692 HA GLU 692 178.097 -7.531 14.041 765 1HB GLU 692 1HB GLU 692 179.718 -5.055 13.560 766 2HB GLU 692 2HB GLU 692 178.445 -5.044 14.773 767 1HG GLU 692 1HG GLU 692 179.916 -7.368 15.258 768 2HG GLU 692 2HG GLU 692 181.106 -6.113 14.921 769 H SER 693 H SER 693 177.925 -5.674 11.131 770 HA SER 693 HA SER 693 175.301 -4.594 11.823 771 1HB SER 693 1HB SER 693 176.972 -4.135 9.343 772 2HB SER 693 2HB SER 693 175.504 -3.265 9.788 773 HG SER 693 HG SER 693 177.835 -2.480 10.362 774 H LYS 694 H LYS 694 176.584 -7.332 10.313 775 HA LYS 694 HA LYS 694 174.617 -7.659 8.270 776 1HB LYS 694 1HB LYS 694 175.550 -9.799 7.895 777 2HB LYS 694 2HB LYS 694 176.897 -8.759 8.330 778 1HG LYS 694 1HG LYS 694 177.462 -10.152 9.947 779 2HG LYS 694 2HG LYS 694 175.891 -9.925 10.714 780 1HD LYS 694 1HD LYS 694 175.137 -11.916 10.004 781 2HD LYS 694 2HD LYS 694 175.820 -11.700 8.392 782 1HE LYS 694 1HE LYS 694 177.000 -13.517 9.236 783 2HE LYS 694 2HE LYS 694 178.085 -12.156 9.521 784 1HZ LYS 694 1HZ LYS 694 177.802 -13.733 11.427 785 2HZ LYS 694 2HZ LYS 694 176.212 -13.179 11.577 786 3HZ LYS 694 3HZ LYS 694 177.503 -12.109 11.794 787 H SER 695 H SER 695 174.396 -7.817 11.598 788 HA SER 695 HA SER 695 172.252 -9.816 11.541 789 1HB SER 695 1HB SER 695 174.305 -9.252 13.411 790 2HB SER 695 2HB SER 695 172.776 -8.838 14.188 791 HG SER 695 HG SER 695 173.430 -11.070 14.421 792 H GLU 696 H GLU 696 172.495 -6.622 11.038 793 HA GLU 696 HA GLU 696 170.269 -5.786 12.709 794 1HB GLU 696 1HB GLU 696 172.257 -4.410 10.970 795 2HB GLU 696 2HB GLU 696 170.711 -3.615 11.235 796 1HG GLU 696 1HG GLU 696 172.343 -4.623 13.531 797 2HG GLU 696 2HG GLU 696 172.673 -3.057 12.792 798 HA PRO 697 HA PRO 697 167.081 -6.508 9.749 799 1HB PRO 697 1HB PRO 697 165.904 -3.924 10.581 800 2HB PRO 697 2HB PRO 697 165.216 -5.549 10.650 801 1HG PRO 697 1HG PRO 697 166.023 -4.295 12.867 802 2HG PRO 697 2HG PRO 697 166.241 -6.043 12.663 803 1HD PRO 697 1HD PRO 697 168.243 -3.836 12.383 804 2HD PRO 697 2HD PRO 697 168.433 -5.447 13.106 805 H GLN 698 H GLN 698 168.805 -3.471 9.788 806 HA GLN 698 HA GLN 698 168.494 -3.290 6.896 807 1HB GLN 698 1HB GLN 698 166.711 -1.876 8.092 808 2HB GLN 698 2HB GLN 698 168.041 -0.830 8.570 809 1HG GLN 698 1HG GLN 698 168.178 0.108 6.555 810 2HG GLN 698 2HG GLN 698 168.033 -1.440 5.724 811 1HE2 GLN 698 1HE2 GLN 698 166.659 1.459 5.946 812 2HE2 GLN 698 2HE2 GLN 698 165.012 1.063 5.611 813 H VAL 699 H VAL 699 169.989 -1.699 5.928 814 HA VAL 699 HA VAL 699 172.294 -1.024 7.605 815 HB VAL 699 HB VAL 699 172.415 -2.671 5.079 816 1HG1 VAL 699 1HG1 VAL 699 174.867 -2.473 5.215 817 2HG1 VAL 699 2HG1 VAL 699 174.684 -1.283 6.504 818 3HG1 VAL 699 3HG1 VAL 699 174.089 -0.924 4.881 819 1HG2 VAL 699 1HG2 VAL 699 173.054 -4.403 6.369 820 2HG2 VAL 699 2HG2 VAL 699 172.236 -3.499 7.642 821 3HG2 VAL 699 3HG2 VAL 699 173.986 -3.381 7.463 822 H GLU 700 H GLU 700 173.317 0.830 7.037 823 HA GLU 700 HA GLU 700 172.303 2.240 4.654 824 1HB GLU 700 1HB GLU 700 171.825 3.141 7.057 825 2HB GLU 700 2HB GLU 700 173.506 3.652 7.014 826 1HG GLU 700 1HG GLU 700 173.080 5.359 5.639 827 2HG GLU 700 2HG GLU 700 171.981 4.408 4.641 828 H ILE 701 H ILE 701 173.807 2.065 3.101 829 HA ILE 701 HA ILE 701 176.620 2.447 3.879 830 HB ILE 701 HB ILE 701 176.984 1.292 1.537 831 1HG1 ILE 701 1HG1 ILE 701 174.290 0.240 2.431 832 2HG1 ILE 701 2HG1 ILE 701 174.652 1.072 0.921 833 1HG2 ILE 701 1HG2 ILE 701 177.113 -0.895 2.742 834 2HG2 ILE 701 2HG2 ILE 701 176.353 -0.105 4.125 835 3HG2 ILE 701 3HG2 ILE 701 177.926 0.448 3.548 836 1HD1 ILE 701 1HD1 ILE 701 175.970 -1.521 1.629 837 2HD1 ILE 701 2HD1 ILE 701 175.780 -0.768 0.042 838 3HD1 ILE 701 3HD1 ILE 701 174.380 -1.465 0.862 839 H ILE 702 H ILE 702 177.831 3.917 2.858 840 HA ILE 702 HA ILE 702 176.532 5.513 0.748 841 HB ILE 702 HB ILE 702 178.656 6.583 2.589 842 1HG1 ILE 702 1HG1 ILE 702 176.889 5.862 4.068 843 2HG1 ILE 702 2HG1 ILE 702 176.799 7.613 3.913 844 1HG2 ILE 702 1HG2 ILE 702 178.135 8.653 1.758 845 2HG2 ILE 702 2HG2 ILE 702 176.483 8.194 1.346 846 3HG2 ILE 702 3HG2 ILE 702 177.827 7.648 0.343 847 1HD1 ILE 702 1HD1 ILE 702 175.111 5.828 2.202 848 2HD1 ILE 702 2HD1 ILE 702 174.863 7.520 2.636 849 3HD1 ILE 702 3HD1 ILE 702 174.627 6.256 3.843 850 H VAL 703 H VAL 703 177.804 6.202 -0.996 851 HA VAL 703 HA VAL 703 180.498 5.026 -1.148 852 HB VAL 703 HB VAL 703 180.041 4.591 -3.593 853 1HG1 VAL 703 1HG1 VAL 703 178.957 2.451 -3.172 854 2HG1 VAL 703 2HG1 VAL 703 178.427 3.019 -1.588 855 3HG1 VAL 703 3HG1 VAL 703 180.148 2.814 -1.922 856 1HG2 VAL 703 1HG2 VAL 703 177.578 5.841 -2.927 857 2HG2 VAL 703 2HG2 VAL 703 177.239 4.172 -3.386 858 3HG2 VAL 703 3HG2 VAL 703 178.115 5.230 -4.492 859 H SER 704 H SER 704 181.565 5.857 -3.297 860 HA SER 704 HA SER 704 180.908 8.615 -3.912 861 1HB SER 704 1HB SER 704 182.322 8.756 -1.862 862 2HB SER 704 2HB SER 704 183.611 7.926 -2.734 863 HG SER 704 HG SER 704 184.125 9.764 -3.588 864 H ARG 705 H ARG 705 181.753 9.317 -5.860 865 HA ARG 705 HA ARG 705 182.821 7.203 -7.556 866 1HB ARG 705 1HB ARG 705 181.427 9.791 -8.008 867 2HB ARG 705 2HB ARG 705 182.526 9.238 -9.266 868 1HG ARG 705 1HG ARG 705 181.136 6.978 -8.851 869 2HG ARG 705 2HG ARG 705 179.909 8.175 -8.429 870 1HD ARG 705 1HD ARG 705 179.499 8.358 -10.610 871 2HD ARG 705 2HD ARG 705 181.057 9.170 -10.747 872 HE ARG 705 HE ARG 705 181.887 7.314 -11.791 873 1HH1 ARG 705 1HH1 ARG 705 178.923 6.449 -10.162 874 2HH1 ARG 705 2HH1 ARG 705 178.863 4.861 -10.848 875 1HH2 ARG 705 1HH2 ARG 705 181.808 5.224 -12.696 876 2HH2 ARG 705 2HH2 ARG 705 180.501 4.164 -12.286 877 H GLU 943 H GLU 943 190.175 -12.657 -3.845 878 HA GLU 943 HA GLU 943 191.330 -11.656 -2.104 879 1HB GLU 943 1HB GLU 943 190.347 -9.089 -3.358 880 2HB GLU 943 2HB GLU 943 191.075 -9.170 -1.759 881 1HG GLU 943 1HG GLU 943 192.376 -9.828 -4.387 882 2HG GLU 943 2HG GLU 943 192.735 -8.471 -3.321 883 H GLU 944 H GLU 944 188.498 -9.663 -2.851 884 HA GLU 944 HA GLU 944 186.475 -9.429 -1.840 885 1HB GLU 944 1HB GLU 944 187.006 -12.321 -1.184 886 2HB GLU 944 2HB GLU 944 185.503 -11.505 -0.780 887 1HG GLU 944 1HG GLU 944 184.807 -12.248 -2.759 888 2HG GLU 944 2HG GLU 944 185.741 -10.904 -3.412 889 H GLY 945 H GLY 945 185.326 -9.817 0.422 890 1HA GLY 945 1HA GLY 945 187.199 -9.803 2.642 891 2HA GLY 945 2HA GLY 945 186.420 -8.263 2.315 892 H ILE 946 H ILE 946 183.876 -8.705 1.889 893 HA ILE 946 HA ILE 946 182.896 -10.535 3.960 894 HB ILE 946 HB ILE 946 181.271 -8.202 4.084 895 1HG1 ILE 946 1HG1 ILE 946 183.402 -7.096 3.215 896 2HG1 ILE 946 2HG1 ILE 946 182.745 -6.462 4.716 897 1HG2 ILE 946 1HG2 ILE 946 181.770 -10.026 5.793 898 2HG2 ILE 946 2HG2 ILE 946 181.627 -8.374 6.395 899 3HG2 ILE 946 3HG2 ILE 946 183.221 -9.102 6.187 900 1HD1 ILE 946 1HD1 ILE 946 184.575 -6.951 5.847 901 2HD1 ILE 946 2HD1 ILE 946 185.339 -7.201 4.275 902 3HD1 ILE 946 3HD1 ILE 946 184.669 -8.573 5.161 903 H TRP 947 H TRP 947 180.801 -11.271 3.676 904 HA TRP 947 HA TRP 947 179.790 -11.015 0.961 905 1HB TRP 947 1HB TRP 947 179.696 -13.048 3.023 906 2HB TRP 947 2HB TRP 947 178.090 -12.724 2.374 907 HD1 TRP 947 HD1 TRP 947 180.531 -15.168 1.848 908 HE1 TRP 947 HE1 TRP 947 180.671 -15.989 -0.588 909 HE3 TRP 947 HE3 TRP 947 178.049 -11.333 -0.450 910 HZ2 TRP 947 HZ2 TRP 947 179.839 -15.123 -3.146 911 HZ3 TRP 947 HZ3 TRP 947 177.762 -11.406 -2.892 912 HH2 TRP 947 HH2 TRP 947 178.640 -13.262 -4.211 913 H ALA 948 H ALA 948 178.224 -9.665 0.433 914 HA ALA 948 HA ALA 948 176.163 -9.016 2.402 915 1HB ALA 948 1HB ALA 948 177.343 -7.106 2.793 916 2HB ALA 948 2HB ALA 948 176.411 -6.576 1.394 917 3HB ALA 948 3HB ALA 948 178.082 -7.101 1.192 Start of MODEL 18 1 H HIS 597 H HIS 597 162.531 3.083 -0.774 2 HA HIS 597 HA HIS 597 164.462 1.101 -1.560 3 1HB HIS 597 1HB HIS 597 161.923 1.054 -1.796 4 2HB HIS 597 2HB HIS 597 162.114 2.271 -3.051 5 HD1 HIS 597 HD1 HIS 597 163.917 -1.024 -2.393 6 HD2 HIS 597 HD2 HIS 597 161.934 1.011 -5.425 7 HE1 HIS 597 HE1 HIS 597 164.069 -2.514 -4.413 8 HE2 HIS 597 HE2 HIS 597 162.944 -1.219 -6.259 9 HA PRO 598 HA PRO 598 165.342 4.406 -4.891 10 1HB PRO 598 1HB PRO 598 164.334 6.872 -4.697 11 2HB PRO 598 2HB PRO 598 163.359 5.532 -5.313 12 1HG PRO 598 1HG PRO 598 163.346 6.800 -2.607 13 2HG PRO 598 2HG PRO 598 161.981 6.242 -3.589 14 1HD PRO 598 1HD PRO 598 163.118 4.822 -1.506 15 2HD PRO 598 2HD PRO 598 162.160 4.106 -2.814 16 H VAL 599 H VAL 599 167.387 5.077 -4.768 17 HA VAL 599 HA VAL 599 168.335 6.344 -2.320 18 HB VAL 599 HB VAL 599 169.669 4.913 -4.579 19 1HG1 VAL 599 1HG1 VAL 599 171.885 5.653 -3.698 20 2HG1 VAL 599 2HG1 VAL 599 171.044 6.890 -2.764 21 3HG1 VAL 599 3HG1 VAL 599 170.979 6.920 -4.527 22 1HG2 VAL 599 1HG2 VAL 599 170.877 3.914 -2.583 23 2HG2 VAL 599 2HG2 VAL 599 169.153 3.568 -2.721 24 3HG2 VAL 599 3HG2 VAL 599 169.720 4.789 -1.581 25 H THR 600 H THR 600 169.580 8.262 -2.323 26 HA THR 600 HA THR 600 169.150 9.980 -4.680 27 HB THR 600 HB THR 600 169.209 11.836 -2.789 28 HG1 THR 600 HG1 THR 600 169.480 10.522 -1.029 29 1HG2 THR 600 1HG2 THR 600 166.818 11.868 -2.681 30 2HG2 THR 600 2HG2 THR 600 166.730 10.185 -3.201 31 3HG2 THR 600 3HG2 THR 600 167.313 11.424 -4.313 32 H TRP 601 H TRP 601 170.737 11.571 -5.106 33 HA TRP 601 HA TRP 601 173.288 11.207 -3.687 34 1HB TRP 601 1HB TRP 601 172.925 11.432 -6.683 35 2HB TRP 601 2HB TRP 601 174.474 11.392 -5.847 36 HD1 TRP 601 HD1 TRP 601 171.336 9.095 -6.038 37 HE1 TRP 601 HE1 TRP 601 172.156 6.656 -6.107 38 HE3 TRP 601 HE3 TRP 601 176.370 9.920 -5.693 39 HZ2 TRP 601 HZ2 TRP 601 174.612 5.265 -6.025 40 HZ3 TRP 601 HZ3 TRP 601 177.886 7.982 -5.695 41 HH2 TRP 601 HH2 TRP 601 177.023 5.703 -5.858 42 H GLN 602 H GLN 602 174.276 13.047 -3.096 43 HA GLN 602 HA GLN 602 173.335 15.567 -4.299 44 1HB GLN 602 1HB GLN 602 173.845 16.570 -2.007 45 2HB GLN 602 2HB GLN 602 172.410 15.563 -2.131 46 1HG GLN 602 1HG GLN 602 173.181 14.104 -0.643 47 2HG GLN 602 2HG GLN 602 174.770 14.041 -1.405 48 1HE2 GLN 602 1HE2 GLN 602 175.977 16.252 -1.088 49 2HE2 GLN 602 2HE2 GLN 602 176.028 16.802 0.548 50 HA PRO 603 HA PRO 603 177.380 16.983 -5.298 51 1HB PRO 603 1HB PRO 603 177.041 19.070 -3.181 52 2HB PRO 603 2HB PRO 603 177.592 19.244 -4.852 53 1HG PRO 603 1HG PRO 603 175.111 19.920 -4.171 54 2HG PRO 603 2HG PRO 603 175.443 19.115 -5.715 55 1HD PRO 603 1HD PRO 603 174.204 18.029 -3.243 56 2HD PRO 603 2HD PRO 603 173.930 17.578 -4.936 57 H SER 604 H SER 604 179.196 16.017 -4.726 58 HA SER 604 HA SER 604 179.649 14.932 -2.158 59 1HB SER 604 1HB SER 604 180.612 13.917 -4.158 60 2HB SER 604 2HB SER 604 181.580 15.362 -4.450 61 HG SER 604 HG SER 604 182.423 13.358 -3.184 62 H LYS 605 H LYS 605 181.913 15.319 -1.115 63 HA LYS 605 HA LYS 605 181.875 17.971 -0.066 64 1HB LYS 605 1HB LYS 605 183.987 17.166 1.118 65 2HB LYS 605 2HB LYS 605 182.499 16.298 1.463 66 1HG LYS 605 1HG LYS 605 183.152 14.440 0.211 67 2HG LYS 605 2HG LYS 605 184.409 15.344 -0.636 68 1HD LYS 605 1HD LYS 605 185.157 15.602 1.992 69 2HD LYS 605 2HD LYS 605 184.496 13.966 1.941 70 1HE LYS 605 1HE LYS 605 186.721 13.626 1.401 71 2HE LYS 605 2HE LYS 605 185.952 13.706 -0.184 72 1HZ LYS 605 1HZ LYS 605 187.241 16.032 1.132 73 2HZ LYS 605 2HZ LYS 605 186.697 15.929 -0.466 74 3HZ LYS 605 3HZ LYS 605 188.034 15.022 0.030 75 H GLU 606 H GLU 606 183.513 16.464 -2.677 76 HA GLU 606 HA GLU 606 185.646 18.432 -2.761 77 1HB GLU 606 1HB GLU 606 184.955 16.022 -4.422 78 2HB GLU 606 2HB GLU 606 186.172 17.175 -4.952 79 1HG GLU 606 1HG GLU 606 187.431 16.779 -2.886 80 2HG GLU 606 2HG GLU 606 186.220 15.597 -2.389 81 H GLY 607 H GLY 607 182.470 18.073 -3.970 82 1HA GLY 607 1HA GLY 607 181.288 19.815 -5.027 83 2HA GLY 607 2HA GLY 607 182.816 20.503 -5.555 84 H ASP 608 H ASP 608 183.963 18.272 -6.777 85 HA ASP 608 HA ASP 608 182.306 18.126 -9.178 86 1HB ASP 608 1HB ASP 608 184.418 17.199 -10.212 87 2HB ASP 608 2HB ASP 608 184.532 18.852 -9.618 88 H ARG 609 H ARG 609 182.150 16.418 -6.571 89 HA ARG 609 HA ARG 609 182.050 13.827 -7.969 90 1HB ARG 609 1HB ARG 609 183.306 14.568 -5.432 91 2HB ARG 609 2HB ARG 609 182.225 13.189 -5.287 92 1HG ARG 609 1HG ARG 609 184.461 12.422 -5.717 93 2HG ARG 609 2HG ARG 609 183.440 12.073 -7.114 94 1HD ARG 609 1HD ARG 609 184.300 14.241 -8.104 95 2HD ARG 609 2HD ARG 609 185.496 14.247 -6.810 96 HE ARG 609 HE ARG 609 185.821 11.805 -7.892 97 1HH1 ARG 609 1HH1 ARG 609 185.686 14.998 -9.298 98 2HH1 ARG 609 2HH1 ARG 609 186.730 14.596 -10.619 99 1HH2 ARG 609 1HH2 ARG 609 187.197 11.278 -9.629 100 2HH2 ARG 609 2HH2 ARG 609 187.587 12.485 -10.807 101 H LEU 610 H LEU 610 180.407 12.333 -7.169 102 HA LEU 610 HA LEU 610 178.104 13.746 -5.993 103 1HB LEU 610 1HB LEU 610 178.337 12.431 -8.509 104 2HB LEU 610 2HB LEU 610 177.225 11.507 -7.516 105 HG LEU 610 HG LEU 610 175.941 13.058 -8.793 106 1HD1 LEU 610 1HD1 LEU 610 175.905 14.620 -6.312 107 2HD1 LEU 610 2HD1 LEU 610 175.782 12.874 -6.089 108 3HD1 LEU 610 3HD1 LEU 610 174.616 13.718 -7.109 109 1HD2 LEU 610 1HD2 LEU 610 177.869 15.133 -7.773 110 2HD2 LEU 610 2HD2 LEU 610 176.337 15.522 -8.556 111 3HD2 LEU 610 3HD2 LEU 610 177.586 14.650 -9.445 112 H ILE 611 H ILE 611 177.634 13.007 -4.045 113 HA ILE 611 HA ILE 611 178.265 10.210 -3.390 114 HB ILE 611 HB ILE 611 177.635 12.413 -1.430 115 1HG1 ILE 611 1HG1 ILE 611 179.621 13.056 -2.676 116 2HG1 ILE 611 2HG1 ILE 611 180.080 12.550 -1.054 117 1HG2 ILE 611 1HG2 ILE 611 179.178 10.662 -0.105 118 2HG2 ILE 611 2HG2 ILE 611 178.395 9.569 -1.247 119 3HG2 ILE 611 3HG2 ILE 611 177.418 10.558 -0.161 120 1HD1 ILE 611 1HD1 ILE 611 181.497 11.093 -1.911 121 2HD1 ILE 611 2HD1 ILE 611 181.039 11.606 -3.536 122 3HD1 ILE 611 3HD1 ILE 611 180.177 10.281 -2.753 123 H GLY 612 H GLY 612 176.732 8.883 -2.417 124 1HA GLY 612 1HA GLY 612 173.991 9.937 -2.242 125 2HA GLY 612 2HA GLY 612 174.303 8.502 -3.204 126 H ARG 613 H ARG 613 172.499 8.507 -1.094 127 HA ARG 613 HA ARG 613 173.908 6.939 0.963 128 1HB ARG 613 1HB ARG 613 171.253 8.377 1.159 129 2HB ARG 613 2HB ARG 613 171.993 7.429 2.442 130 1HG ARG 613 1HG ARG 613 173.605 9.010 2.867 131 2HG ARG 613 2HG ARG 613 173.501 9.707 1.250 132 1HD ARG 613 1HD ARG 613 170.999 10.177 2.164 133 2HD ARG 613 2HD ARG 613 171.918 10.273 3.666 134 HE ARG 613 HE ARG 613 173.338 11.820 1.953 135 1HH1 ARG 613 1HH1 ARG 613 169.986 11.757 2.921 136 2HH1 ARG 613 2HH1 ARG 613 169.761 13.459 2.701 137 1HH2 ARG 613 1HH2 ARG 613 173.045 14.059 1.664 138 2HH2 ARG 613 2HH2 ARG 613 171.498 14.767 1.989 139 H VAL 614 H VAL 614 173.584 4.797 0.888 140 HA VAL 614 HA VAL 614 171.153 3.848 -0.470 141 HB VAL 614 HB VAL 614 173.781 2.388 -0.222 142 1HG1 VAL 614 1HG1 VAL 614 171.153 1.744 -1.492 143 2HG1 VAL 614 2HG1 VAL 614 172.190 0.732 -0.487 144 3HG1 VAL 614 3HG1 VAL 614 172.646 1.078 -2.154 145 1HG2 VAL 614 1HG2 VAL 614 174.479 3.243 -2.184 146 2HG2 VAL 614 2HG2 VAL 614 173.380 4.562 -1.782 147 3HG2 VAL 614 3HG2 VAL 614 172.853 3.276 -2.867 148 H ILE 615 H ILE 615 169.748 2.718 0.663 149 HA ILE 615 HA ILE 615 170.588 1.628 3.268 150 HB ILE 615 HB ILE 615 167.710 2.018 2.529 151 1HG1 ILE 615 1HG1 ILE 615 168.718 4.183 2.052 152 2HG1 ILE 615 2HG1 ILE 615 167.791 4.280 3.545 153 1HG2 ILE 615 1HG2 ILE 615 169.319 1.763 5.033 154 2HG2 ILE 615 2HG2 ILE 615 167.887 0.868 4.523 155 3HG2 ILE 615 3HG2 ILE 615 167.734 2.536 5.074 156 1HD1 ILE 615 1HD1 ILE 615 170.775 3.936 3.392 157 2HD1 ILE 615 2HD1 ILE 615 169.812 4.166 4.851 158 3HD1 ILE 615 3HD1 ILE 615 169.937 5.465 3.664 159 H LEU 616 H LEU 616 170.793 -0.515 3.338 160 HA LEU 616 HA LEU 616 169.143 -2.121 1.501 161 1HB LEU 616 1HB LEU 616 172.016 -2.065 1.930 162 2HB LEU 616 2HB LEU 616 171.353 -3.676 2.144 163 HG LEU 616 HG LEU 616 170.855 -1.991 -0.306 164 1HD1 LEU 616 1HD1 LEU 616 173.198 -3.516 0.472 165 2HD1 LEU 616 2HD1 LEU 616 172.965 -2.407 -0.878 166 3HD1 LEU 616 3HD1 LEU 616 172.485 -4.098 -1.033 167 1HD2 LEU 616 1HD2 LEU 616 170.660 -4.955 -0.187 168 2HD2 LEU 616 2HD2 LEU 616 169.789 -3.804 -1.198 169 3HD2 LEU 616 3HD2 LEU 616 169.353 -3.990 0.501 170 H ASN 617 H ASN 617 168.336 -4.080 2.232 171 HA ASN 617 HA ASN 617 168.585 -4.597 5.118 172 1HB ASN 617 1HB ASN 617 166.055 -4.631 3.461 173 2HB ASN 617 2HB ASN 617 166.167 -5.228 5.114 174 1HD2 ASN 617 1HD2 ASN 617 165.663 -3.853 6.656 175 2HD2 ASN 617 2HD2 ASN 617 165.652 -2.131 6.521 176 H LYS 618 H LYS 618 168.951 -6.675 5.654 177 HA LYS 618 HA LYS 618 169.028 -8.620 3.459 178 1HB LYS 618 1HB LYS 618 170.352 -9.957 5.268 179 2HB LYS 618 2HB LYS 618 171.130 -8.631 4.416 180 1HG LYS 618 1HG LYS 618 170.888 -7.178 6.275 181 2HG LYS 618 2HG LYS 618 169.815 -8.310 7.101 182 1HD LYS 618 1HD LYS 618 171.940 -8.511 8.138 183 2HD LYS 618 2HD LYS 618 171.742 -9.940 7.121 184 1HE LYS 618 1HE LYS 618 173.941 -9.204 6.733 185 2HE LYS 618 2HE LYS 618 173.016 -8.656 5.336 186 1HZ LYS 618 1HZ LYS 618 173.097 -6.473 6.032 187 2HZ LYS 618 2HZ LYS 618 174.623 -7.033 6.496 188 3HZ LYS 618 3HZ LYS 618 173.397 -6.872 7.649 189 H ARG 619 H ARG 619 167.567 -8.031 6.585 190 HA ARG 619 HA ARG 619 166.301 -10.671 6.528 191 1HB ARG 619 1HB ARG 619 166.724 -8.612 8.652 192 2HB ARG 619 2HB ARG 619 165.418 -9.773 8.829 193 1HG ARG 619 1HG ARG 619 166.900 -11.151 9.732 194 2HG ARG 619 2HG ARG 619 167.608 -11.319 8.125 195 1HD ARG 619 1HD ARG 619 169.458 -10.265 8.766 196 2HD ARG 619 2HD ARG 619 168.528 -8.897 9.374 197 HE ARG 619 HE ARG 619 168.749 -9.730 11.496 198 1HH1 ARG 619 1HH1 ARG 619 169.627 -12.211 9.204 199 2HH1 ARG 619 2HH1 ARG 619 170.231 -13.292 10.416 200 1HH2 ARG 619 1HH2 ARG 619 169.543 -11.149 13.090 201 2HH2 ARG 619 2HH2 ARG 619 170.182 -12.690 12.623 202 H THR 620 H THR 620 165.602 -8.007 4.981 203 HA THR 620 HA THR 620 162.804 -8.532 4.900 204 HB THR 620 HB THR 620 162.872 -7.232 6.982 205 HG1 THR 620 HG1 THR 620 161.197 -5.990 6.438 206 1HG2 THR 620 1HG2 THR 620 164.846 -5.857 6.540 207 2HG2 THR 620 2HG2 THR 620 163.445 -4.887 6.999 208 3HG2 THR 620 3HG2 THR 620 163.942 -4.973 5.309 209 H THR 621 H THR 621 161.715 -6.478 3.723 210 HA THR 621 HA THR 621 161.463 -5.478 1.710 211 HB THR 621 HB THR 621 163.413 -4.155 3.027 212 HG1 THR 621 HG1 THR 621 163.130 -2.563 1.420 213 1HG2 THR 621 1HG2 THR 621 165.333 -3.763 1.843 214 2HG2 THR 621 2HG2 THR 621 164.650 -4.349 0.326 215 3HG2 THR 621 3HG2 THR 621 165.118 -5.493 1.582 216 H MET 622 H MET 622 162.578 -8.278 1.807 217 HA MET 622 HA MET 622 164.199 -8.448 -0.584 218 1HB MET 622 1HB MET 622 162.916 -10.787 0.804 219 2HB MET 622 2HB MET 622 164.407 -10.746 -0.127 220 1HG MET 622 1HG MET 622 164.902 -8.986 1.930 221 2HG MET 622 2HG MET 622 163.954 -10.259 2.699 222 1HE MET 622 1HE MET 622 167.944 -10.371 0.655 223 2HE MET 622 2HE MET 622 166.447 -9.671 0.039 224 3HE MET 622 3HE MET 622 166.837 -11.357 -0.302 225 HA PRO 623 HA PRO 623 160.518 -8.699 -3.114 226 1HB PRO 623 1HB PRO 623 161.719 -8.702 -5.512 227 2HB PRO 623 2HB PRO 623 161.657 -7.251 -4.504 228 1HG PRO 623 1HG PRO 623 163.903 -9.183 -4.909 229 2HG PRO 623 2HG PRO 623 163.952 -7.415 -4.804 230 1HD PRO 623 1HD PRO 623 164.561 -9.110 -2.724 231 2HD PRO 623 2HD PRO 623 164.010 -7.436 -2.521 232 H LYS 624 H LYS 624 163.303 -10.789 -3.926 233 HA LYS 624 HA LYS 624 161.497 -12.781 -5.021 234 1HB LYS 624 1HB LYS 624 163.539 -13.986 -5.671 235 2HB LYS 624 2HB LYS 624 163.536 -12.328 -6.251 236 1HG LYS 624 1HG LYS 624 164.894 -11.859 -4.077 237 2HG LYS 624 2HG LYS 624 165.213 -13.593 -4.137 238 1HD LYS 624 1HD LYS 624 165.605 -11.973 -6.607 239 2HD LYS 624 2HD LYS 624 166.813 -11.872 -5.323 240 1HE LYS 624 1HE LYS 624 167.006 -14.342 -5.377 241 2HE LYS 624 2HE LYS 624 165.888 -14.369 -6.739 242 1HZ LYS 624 1HZ LYS 624 168.547 -14.251 -6.979 243 2HZ LYS 624 2HZ LYS 624 168.162 -12.605 -7.054 244 3HZ LYS 624 3HZ LYS 624 167.468 -13.686 -8.155 245 H GLU 625 H GLU 625 164.065 -12.768 -2.528 246 HA GLU 625 HA GLU 625 162.624 -14.090 -0.565 247 1HB GLU 625 1HB GLU 625 163.514 -16.387 -0.706 248 2HB GLU 625 2HB GLU 625 162.502 -15.993 -2.086 249 1HG GLU 625 1HG GLU 625 164.232 -16.054 -3.555 250 2HG GLU 625 2HG GLU 625 165.415 -15.535 -2.354 251 H SER 626 H SER 626 164.433 -15.584 0.770 252 HA SER 626 HA SER 626 166.487 -13.621 1.398 253 1HB SER 626 1HB SER 626 166.911 -15.301 3.329 254 2HB SER 626 2HB SER 626 165.421 -14.357 3.352 255 HG SER 626 HG SER 626 165.662 -16.976 3.393 256 H GLY 627 H GLY 627 167.675 -14.055 -0.603 257 1HA GLY 627 1HA GLY 627 168.801 -16.525 -1.271 258 2HA GLY 627 2HA GLY 627 169.467 -14.961 -1.715 259 H ALA 628 H ALA 628 170.814 -13.867 -0.076 260 HA ALA 628 HA ALA 628 172.050 -15.685 1.856 261 1HB ALA 628 1HB ALA 628 173.389 -15.842 -0.192 262 2HB ALA 628 2HB ALA 628 174.296 -15.103 1.128 263 3HB ALA 628 3HB ALA 628 173.634 -14.097 -0.160 264 H LEU 629 H LEU 629 172.959 -12.489 0.630 265 HA LEU 629 HA LEU 629 172.487 -11.410 3.328 266 1HB LEU 629 1HB LEU 629 174.463 -10.075 1.584 267 2HB LEU 629 2HB LEU 629 174.470 -10.286 3.317 268 HG LEU 629 HG LEU 629 176.311 -11.488 2.486 269 1HD1 LEU 629 1HD1 LEU 629 174.367 -12.734 3.923 270 2HD1 LEU 629 2HD1 LEU 629 175.998 -13.347 3.638 271 3HD1 LEU 629 3HD1 LEU 629 174.665 -13.875 2.611 272 1HD2 LEU 629 1HD2 LEU 629 176.385 -12.107 0.371 273 2HD2 LEU 629 2HD2 LEU 629 174.647 -11.899 0.202 274 3HD2 LEU 629 3HD2 LEU 629 175.303 -13.440 0.750 275 H LEU 630 H LEU 630 173.462 -8.814 1.564 276 HA LEU 630 HA LEU 630 170.718 -7.975 1.149 277 1HB LEU 630 1HB LEU 630 172.428 -5.903 0.322 278 2HB LEU 630 2HB LEU 630 171.485 -5.996 1.793 279 HG LEU 630 HG LEU 630 174.321 -6.983 1.509 280 1HD1 LEU 630 1HD1 LEU 630 174.540 -4.685 1.378 281 2HD1 LEU 630 2HD1 LEU 630 174.687 -4.994 3.108 282 3HD1 LEU 630 3HD1 LEU 630 173.167 -4.394 2.445 283 1HD2 LEU 630 1HD2 LEU 630 173.798 -6.574 4.165 284 2HD2 LEU 630 2HD2 LEU 630 173.815 -8.133 3.342 285 3HD2 LEU 630 3HD2 LEU 630 172.292 -7.273 3.569 286 H GLY 631 H GLY 631 173.685 -8.428 -0.772 287 1HA GLY 631 1HA GLY 631 172.750 -9.459 -3.014 288 2HA GLY 631 2HA GLY 631 172.182 -7.811 -3.200 289 H LEU 632 H LEU 632 175.145 -7.766 -1.572 290 HA LEU 632 HA LEU 632 176.737 -7.875 -4.000 291 1HB LEU 632 1HB LEU 632 177.189 -5.691 -4.270 292 2HB LEU 632 2HB LEU 632 175.629 -5.505 -3.501 293 HG LEU 632 HG LEU 632 178.344 -5.156 -2.234 294 1HD1 LEU 632 1HD1 LEU 632 176.086 -3.187 -2.417 295 2HD1 LEU 632 2HD1 LEU 632 177.303 -3.343 -3.683 296 3HD1 LEU 632 3HD1 LEU 632 177.785 -2.887 -2.049 297 1HD2 LEU 632 1HD2 LEU 632 175.930 -5.999 -0.996 298 2HD2 LEU 632 2HD2 LEU 632 176.253 -4.337 -0.505 299 3HD2 LEU 632 3HD2 LEU 632 177.470 -5.586 -0.246 300 H LYS 633 H LYS 633 178.929 -8.141 -3.698 301 HA LYS 633 HA LYS 633 179.726 -8.850 -0.969 302 1HB LYS 633 1HB LYS 633 179.998 -10.382 -3.047 303 2HB LYS 633 2HB LYS 633 181.352 -9.339 -3.453 304 1HG LYS 633 1HG LYS 633 182.638 -10.105 -1.737 305 2HG LYS 633 2HG LYS 633 181.248 -10.479 -0.715 306 1HD LYS 633 1HD LYS 633 180.804 -12.479 -1.867 307 2HD LYS 633 2HD LYS 633 181.833 -12.023 -3.225 308 1HE LYS 633 1HE LYS 633 183.688 -12.789 -2.226 309 2HE LYS 633 2HE LYS 633 183.234 -12.115 -0.662 310 1HZ LYS 633 1HZ LYS 633 183.372 -14.636 -0.886 311 2HZ LYS 633 2HZ LYS 633 181.909 -14.529 -1.727 312 3HZ LYS 633 3HZ LYS 633 182.004 -13.993 -0.125 313 H VAL 634 H VAL 634 181.177 -7.660 0.156 314 HA VAL 634 HA VAL 634 182.551 -5.504 -1.312 315 HB VAL 634 HB VAL 634 181.157 -5.451 1.335 316 1HG1 VAL 634 1HG1 VAL 634 182.302 -3.315 1.857 317 2HG1 VAL 634 2HG1 VAL 634 183.408 -3.615 0.514 318 3HG1 VAL 634 3HG1 VAL 634 183.388 -4.705 1.899 319 1HG2 VAL 634 1HG2 VAL 634 180.861 -3.029 0.113 320 2HG2 VAL 634 2HG2 VAL 634 179.742 -4.386 -0.029 321 3HG2 VAL 634 3HG2 VAL 634 180.980 -4.127 -1.261 322 H VAL 635 H VAL 635 184.539 -4.778 -0.500 323 HA VAL 635 HA VAL 635 186.017 -6.829 1.003 324 HB VAL 635 HB VAL 635 186.595 -5.446 -1.500 325 1HG1 VAL 635 1HG1 VAL 635 188.086 -4.110 -0.114 326 2HG1 VAL 635 2HG1 VAL 635 188.999 -5.198 -1.158 327 3HG1 VAL 635 3HG1 VAL 635 188.801 -5.578 0.552 328 1HG2 VAL 635 1HG2 VAL 635 187.522 -7.435 -2.044 329 2HG2 VAL 635 2HG2 VAL 635 186.512 -7.963 -0.697 330 3HG2 VAL 635 3HG2 VAL 635 188.232 -7.670 -0.446 331 H GLY 636 H GLY 636 187.880 -5.999 2.264 332 1HA GLY 636 1HA GLY 636 187.442 -3.239 3.212 333 2HA GLY 636 2HA GLY 636 187.593 -4.568 4.351 334 H GLY 637 H GLY 637 189.239 -2.146 4.026 335 1HA GLY 637 1HA GLY 637 191.471 -1.676 4.356 336 2HA GLY 637 2HA GLY 637 191.792 -3.402 4.297 337 H LYS 638 H LYS 638 191.025 -0.635 2.202 338 HA LYS 638 HA LYS 638 192.865 -1.770 0.206 339 1HB LYS 638 1HB LYS 638 190.212 -0.430 -0.356 340 2HB LYS 638 2HB LYS 638 191.380 -0.913 -1.579 341 1HG LYS 638 1HG LYS 638 190.227 -2.896 0.346 342 2HG LYS 638 2HG LYS 638 189.388 -2.451 -1.141 343 1HD LYS 638 1HD LYS 638 192.193 -3.065 -1.593 344 2HD LYS 638 2HD LYS 638 191.319 -4.415 -0.866 345 1HE LYS 638 1HE LYS 638 190.131 -4.803 -2.731 346 2HE LYS 638 2HE LYS 638 189.873 -3.085 -3.036 347 1HZ LYS 638 1HZ LYS 638 192.458 -3.295 -3.600 348 2HZ LYS 638 2HZ LYS 638 191.241 -3.505 -4.756 349 3HZ LYS 638 3HZ LYS 638 191.955 -4.853 -4.025 350 H MET 639 H MET 639 194.558 -0.424 0.671 351 HA MET 639 HA MET 639 194.414 2.305 1.250 352 1HB MET 639 1HB MET 639 196.406 0.584 1.353 353 2HB MET 639 2HB MET 639 196.754 1.205 -0.255 354 1HG MET 639 1HG MET 639 197.975 2.718 0.840 355 2HG MET 639 2HG MET 639 196.425 3.511 1.121 356 1HE MET 639 1HE MET 639 196.143 3.973 4.543 357 2HE MET 639 2HE MET 639 195.069 2.672 4.029 358 3HE MET 639 3HE MET 639 195.444 3.994 2.924 359 H THR 640 H THR 640 193.451 3.768 -0.004 360 HA THR 640 HA THR 640 193.474 3.514 -2.888 361 HB THR 640 HB THR 640 192.187 5.782 -2.616 362 HG1 THR 640 HG1 THR 640 191.217 5.949 -0.574 363 1HG2 THR 640 1HG2 THR 640 190.433 4.521 -3.052 364 2HG2 THR 640 2HG2 THR 640 190.392 3.959 -1.380 365 3HG2 THR 640 3HG2 THR 640 191.355 3.094 -2.579 366 H ASP 641 H ASP 641 193.633 5.870 -3.973 367 HA ASP 641 HA ASP 641 196.370 6.500 -4.024 368 1HB ASP 641 1HB ASP 641 193.911 7.820 -5.138 369 2HB ASP 641 2HB ASP 641 195.498 8.559 -5.328 370 H LEU 642 H LEU 642 193.820 7.625 -2.016 371 HA LEU 642 HA LEU 642 194.990 10.141 -1.316 372 1HB LEU 642 1HB LEU 642 192.979 8.634 0.327 373 2HB LEU 642 2HB LEU 642 193.202 10.369 0.199 374 HG LEU 642 HG LEU 642 192.383 8.830 -2.227 375 1HD1 LEU 642 1HD1 LEU 642 190.939 8.518 0.053 376 2HD1 LEU 642 2HD1 LEU 642 190.284 8.442 -1.582 377 3HD1 LEU 642 3HD1 LEU 642 190.181 9.942 -0.660 378 1HD2 LEU 642 1HD2 LEU 642 191.090 11.045 -2.473 379 2HD2 LEU 642 2HD2 LEU 642 192.836 11.036 -2.725 380 3HD2 LEU 642 3HD2 LEU 642 192.168 11.624 -1.204 381 H GLY 643 H GLY 643 194.672 7.019 0.295 382 1HA GLY 643 1HA GLY 643 196.823 6.260 1.373 383 2HA GLY 643 2HA GLY 643 196.832 7.839 2.140 384 H ARG 644 H ARG 644 193.728 6.445 1.802 385 HA ARG 644 HA ARG 644 193.823 5.508 4.593 386 1HB ARG 644 1HB ARG 644 191.486 6.295 4.827 387 2HB ARG 644 2HB ARG 644 192.615 7.605 4.516 388 1HG ARG 644 1HG ARG 644 191.943 7.380 2.069 389 2HG ARG 644 2HG ARG 644 190.604 6.392 2.655 390 1HD ARG 644 1HD ARG 644 189.866 8.241 4.077 391 2HD ARG 644 2HD ARG 644 191.204 9.228 3.491 392 HE ARG 644 HE ARG 644 189.500 8.228 1.403 393 1HH1 ARG 644 1HH1 ARG 644 189.982 10.789 3.723 394 2HH1 ARG 644 2HH1 ARG 644 189.054 11.945 2.830 395 1HH2 ARG 644 1HH2 ARG 644 188.277 9.748 0.225 396 2HH2 ARG 644 2HH2 ARG 644 188.084 11.354 0.844 397 H LEU 645 H LEU 645 192.303 3.828 5.140 398 HA LEU 645 HA LEU 645 191.934 1.982 2.924 399 1HB LEU 645 1HB LEU 645 191.586 1.648 5.902 400 2HB LEU 645 2HB LEU 645 191.313 0.371 4.731 401 HG LEU 645 HG LEU 645 193.933 1.719 5.370 402 1HD1 LEU 645 1HD1 LEU 645 194.591 -0.284 6.322 403 2HD1 LEU 645 2HD1 LEU 645 193.345 -1.208 5.485 404 3HD1 LEU 645 3HD1 LEU 645 192.908 -0.154 6.830 405 1HD2 LEU 645 1HD2 LEU 645 193.256 -0.256 3.197 406 2HD2 LEU 645 2HD2 LEU 645 194.898 0.133 3.717 407 3HD2 LEU 645 3HD2 LEU 645 193.880 1.382 2.997 408 H GLY 646 H GLY 646 189.967 1.051 2.346 409 1HA GLY 646 1HA GLY 646 187.533 2.067 3.600 410 2HA GLY 646 2HA GLY 646 187.783 2.481 1.911 411 H ALA 647 H ALA 647 185.773 1.336 1.555 412 HA ALA 647 HA ALA 647 186.187 -1.578 1.407 413 1HB ALA 647 1HB ALA 647 183.555 -1.544 1.491 414 2HB ALA 647 2HB ALA 647 183.830 -0.019 2.332 415 3HB ALA 647 3HB ALA 647 184.518 -1.513 2.967 416 H PHE 648 H PHE 648 185.562 -2.625 -0.450 417 HA PHE 648 HA PHE 648 184.417 -0.999 -2.609 418 1HB PHE 648 1HB PHE 648 186.991 -2.537 -2.645 419 2HB PHE 648 2HB PHE 648 186.060 -2.357 -4.127 420 HD1 PHE 648 HD1 PHE 648 185.769 -0.169 -5.154 421 HD2 PHE 648 HD2 PHE 648 188.131 -0.675 -1.651 422 HE1 PHE 648 HE1 PHE 648 186.774 2.047 -5.518 423 HE2 PHE 648 HE2 PHE 648 189.141 1.541 -2.007 424 HZ PHE 648 HZ PHE 648 188.462 2.904 -3.942 425 H ILE 649 H ILE 649 182.956 -2.052 -3.877 426 HA ILE 649 HA ILE 649 182.036 -4.615 -2.971 427 HB ILE 649 HB ILE 649 181.108 -2.861 -5.249 428 1HG1 ILE 649 1HG1 ILE 649 179.545 -3.468 -2.765 429 2HG1 ILE 649 2HG1 ILE 649 180.827 -2.260 -2.704 430 1HG2 ILE 649 1HG2 ILE 649 179.106 -4.309 -5.310 431 2HG2 ILE 649 2HG2 ILE 649 179.896 -5.407 -4.178 432 3HG2 ILE 649 3HG2 ILE 649 180.579 -5.155 -5.785 433 1HD1 ILE 649 1HD1 ILE 649 178.575 -2.175 -4.690 434 2HD1 ILE 649 2HD1 ILE 649 179.739 -0.904 -4.314 435 3HD1 ILE 649 3HD1 ILE 649 178.527 -1.372 -3.121 436 H THR 650 H THR 650 182.904 -6.464 -3.587 437 HA THR 650 HA THR 650 184.613 -6.653 -5.874 438 HB THR 650 HB THR 650 184.055 -9.253 -4.964 439 HG1 THR 650 HG1 THR 650 183.010 -8.401 -3.161 440 1HG2 THR 650 1HG2 THR 650 186.253 -8.670 -3.570 441 2HG2 THR 650 2HG2 THR 650 186.275 -7.332 -4.718 442 3HG2 THR 650 3HG2 THR 650 186.264 -8.996 -5.304 443 H LYS 651 H LYS 651 181.279 -7.504 -5.188 444 HA LYS 651 HA LYS 651 180.686 -7.760 -7.955 445 1HB LYS 651 1HB LYS 651 180.236 -10.078 -8.163 446 2HB LYS 651 2HB LYS 651 181.848 -9.944 -7.479 447 1HG LYS 651 1HG LYS 651 180.855 -10.347 -5.229 448 2HG LYS 651 2HG LYS 651 179.309 -10.650 -6.025 449 1HD LYS 651 1HD LYS 651 181.836 -12.156 -6.672 450 2HD LYS 651 2HD LYS 651 180.657 -12.701 -5.478 451 1HE LYS 651 1HE LYS 651 178.923 -12.579 -7.297 452 2HE LYS 651 2HE LYS 651 180.243 -12.313 -8.435 453 1HZ LYS 651 1HZ LYS 651 180.038 -14.562 -8.558 454 2HZ LYS 651 2HZ LYS 651 179.525 -14.736 -6.956 455 3HZ LYS 651 3HZ LYS 651 181.161 -14.470 -7.296 456 H VAL 652 H VAL 652 178.491 -7.924 -8.413 457 HA VAL 652 HA VAL 652 176.689 -7.745 -6.082 458 HB VAL 652 HB VAL 652 175.306 -6.441 -8.056 459 1HG1 VAL 652 1HG1 VAL 652 177.149 -5.024 -6.152 460 2HG1 VAL 652 2HG1 VAL 652 175.669 -5.836 -5.641 461 3HG1 VAL 652 3HG1 VAL 652 175.586 -4.481 -6.768 462 1HG2 VAL 652 1HG2 VAL 652 177.497 -6.514 -9.385 463 2HG2 VAL 652 2HG2 VAL 652 178.067 -5.291 -8.248 464 3HG2 VAL 652 3HG2 VAL 652 176.655 -4.969 -9.257 465 H LYS 653 H LYS 653 174.960 -9.074 -6.086 466 HA LYS 653 HA LYS 653 174.680 -10.914 -8.323 467 1HB LYS 653 1HB LYS 653 174.570 -11.316 -5.638 468 2HB LYS 653 2HB LYS 653 172.859 -11.173 -6.014 469 1HG LYS 653 1HG LYS 653 174.372 -12.921 -7.819 470 2HG LYS 653 2HG LYS 653 174.281 -13.471 -6.145 471 1HD LYS 653 1HD LYS 653 172.201 -14.179 -6.479 472 2HD LYS 653 2HD LYS 653 171.703 -12.546 -6.923 473 1HE LYS 653 1HE LYS 653 171.281 -14.365 -8.638 474 2HE LYS 653 2HE LYS 653 172.124 -12.926 -9.207 475 1HZ LYS 653 1HZ LYS 653 172.965 -15.407 -9.666 476 2HZ LYS 653 2HZ LYS 653 173.814 -15.080 -8.241 477 3HZ LYS 653 3HZ LYS 653 174.005 -14.073 -9.587 478 H LYS 654 H LYS 654 173.214 -10.658 -9.864 479 HA LYS 654 HA LYS 654 171.446 -8.499 -9.993 480 1HB LYS 654 1HB LYS 654 172.278 -9.757 -11.957 481 2HB LYS 654 2HB LYS 654 171.266 -11.118 -11.493 482 1HG LYS 654 1HG LYS 654 169.272 -9.840 -11.871 483 2HG LYS 654 2HG LYS 654 170.216 -8.377 -12.161 484 1HD LYS 654 1HD LYS 654 171.283 -9.558 -14.095 485 2HD LYS 654 2HD LYS 654 170.128 -10.870 -13.854 486 1HE LYS 654 1HE LYS 654 168.475 -8.717 -13.910 487 2HE LYS 654 2HE LYS 654 169.746 -8.196 -15.015 488 1HZ LYS 654 1HZ LYS 654 167.700 -9.615 -15.824 489 2HZ LYS 654 2HZ LYS 654 168.690 -10.901 -15.347 490 3HZ LYS 654 3HZ LYS 654 169.234 -9.803 -16.512 491 H GLY 655 H GLY 655 169.124 -8.455 -9.991 492 1HA GLY 655 1HA GLY 655 167.051 -8.910 -9.120 493 2HA GLY 655 2HA GLY 655 167.529 -10.600 -9.081 494 H SER 656 H SER 656 169.637 -8.550 -7.361 495 HA SER 656 HA SER 656 168.448 -9.473 -4.838 496 1HB SER 656 1HB SER 656 171.278 -8.562 -5.411 497 2HB SER 656 2HB SER 656 170.682 -9.142 -3.856 498 HG SER 656 HG SER 656 170.627 -10.662 -6.250 499 H LEU 657 H LEU 657 168.711 -7.999 -2.963 500 HA LEU 657 HA LEU 657 167.439 -5.580 -3.355 501 1HB LEU 657 1HB LEU 657 169.327 -6.136 -1.082 502 2HB LEU 657 2HB LEU 657 167.946 -5.059 -1.078 503 HG LEU 657 HG LEU 657 167.256 -7.839 -1.698 504 1HD1 LEU 657 1HD1 LEU 657 167.422 -8.178 0.952 505 2HD1 LEU 657 2HD1 LEU 657 168.855 -7.184 0.695 506 3HD1 LEU 657 3HD1 LEU 657 168.675 -8.709 -0.170 507 1HD2 LEU 657 1HD2 LEU 657 165.847 -7.013 0.512 508 2HD2 LEU 657 2HD2 LEU 657 165.341 -6.824 -1.166 509 3HD2 LEU 657 3HD2 LEU 657 166.167 -5.503 -0.342 510 H ALA 658 H ALA 658 170.885 -6.066 -2.659 511 HA ALA 658 HA ALA 658 171.784 -3.480 -2.778 512 1HB ALA 658 1HB ALA 658 173.515 -5.442 -4.140 513 2HB ALA 658 2HB ALA 658 172.993 -5.867 -2.510 514 3HB ALA 658 3HB ALA 658 173.863 -4.358 -2.793 515 H ASP 659 H ASP 659 170.763 -5.502 -5.422 516 HA ASP 659 HA ASP 659 171.858 -3.723 -7.428 517 1HB ASP 659 1HB ASP 659 171.324 -6.397 -7.430 518 2HB ASP 659 2HB ASP 659 169.925 -5.765 -8.294 519 H VAL 660 H VAL 660 168.620 -4.771 -6.421 520 HA VAL 660 HA VAL 660 167.331 -2.859 -8.128 521 HB VAL 660 HB VAL 660 165.301 -3.540 -6.531 522 1HG1 VAL 660 1HG1 VAL 660 166.404 -5.429 -8.599 523 2HG1 VAL 660 2HG1 VAL 660 165.582 -3.917 -8.980 524 3HG1 VAL 660 3HG1 VAL 660 164.716 -5.203 -8.140 525 1HG2 VAL 660 1HG2 VAL 660 166.792 -6.113 -6.453 526 2HG2 VAL 660 2HG2 VAL 660 165.479 -5.534 -5.426 527 3HG2 VAL 660 3HG2 VAL 660 167.115 -4.919 -5.197 528 H VAL 661 H VAL 661 167.513 -3.144 -4.557 529 HA VAL 661 HA VAL 661 166.478 -0.459 -4.277 530 HB VAL 661 HB VAL 661 165.809 -2.177 -2.664 531 1HG1 VAL 661 1HG1 VAL 661 168.751 -2.335 -2.186 532 2HG1 VAL 661 2HG1 VAL 661 167.569 -3.630 -2.372 533 3HG1 VAL 661 3HG1 VAL 661 167.626 -2.698 -0.876 534 1HG2 VAL 661 1HG2 VAL 661 166.378 0.407 -2.139 535 2HG2 VAL 661 2HG2 VAL 661 167.382 -0.391 -0.929 536 3HG2 VAL 661 3HG2 VAL 661 165.646 -0.695 -0.973 537 H GLY 662 H GLY 662 169.588 -2.056 -4.151 538 1HA GLY 662 1HA GLY 662 170.914 0.256 -3.005 539 2HA GLY 662 2HA GLY 662 171.686 -1.229 -3.542 540 H HIS 663 H HIS 663 171.089 -1.473 -6.108 541 HA HIS 663 HA HIS 663 171.548 -0.772 -8.213 542 1HB HIS 663 1HB HIS 663 169.913 1.105 -7.370 543 2HB HIS 663 2HB HIS 663 171.363 2.104 -7.413 544 HD1 HIS 663 HD1 HIS 663 171.335 3.428 -9.493 545 HD2 HIS 663 HD2 HIS 663 169.932 -0.433 -10.112 546 HE1 HIS 663 HE1 HIS 663 170.856 3.275 -11.957 547 HE2 HIS 663 HE2 HIS 663 170.110 0.896 -12.323 548 H LEU 664 H LEU 664 173.769 -1.529 -7.155 549 HA LEU 664 HA LEU 664 175.681 0.520 -7.983 550 1HB LEU 664 1HB LEU 664 177.213 -0.497 -6.109 551 2HB LEU 664 2HB LEU 664 176.117 0.825 -5.766 552 HG LEU 664 HG LEU 664 176.214 -1.004 -4.045 553 1HD1 LEU 664 1HD1 LEU 664 173.905 0.303 -5.194 554 2HD1 LEU 664 2HD1 LEU 664 174.343 0.052 -3.506 555 3HD1 LEU 664 3HD1 LEU 664 173.480 -1.205 -4.387 556 1HD2 LEU 664 1HD2 LEU 664 174.403 -2.625 -5.745 557 2HD2 LEU 664 2HD2 LEU 664 175.473 -3.117 -4.434 558 3HD2 LEU 664 3HD2 LEU 664 176.140 -2.747 -6.026 559 H ARG 665 H ARG 665 177.965 -0.605 -8.100 560 HA ARG 665 HA ARG 665 177.675 -3.345 -9.080 561 1HB ARG 665 1HB ARG 665 178.559 -0.973 -10.683 562 2HB ARG 665 2HB ARG 665 179.188 -2.573 -11.057 563 1HG ARG 665 1HG ARG 665 176.328 -2.665 -10.775 564 2HG ARG 665 2HG ARG 665 176.798 -1.425 -11.940 565 1HD ARG 665 1HD ARG 665 177.868 -2.961 -13.327 566 2HD ARG 665 2HD ARG 665 178.000 -4.167 -12.047 567 HE ARG 665 HE ARG 665 175.917 -4.925 -12.603 568 1HH1 ARG 665 1HH1 ARG 665 176.359 -1.754 -13.992 569 2HH1 ARG 665 2HH1 ARG 665 174.883 -1.809 -14.897 570 1HH2 ARG 665 1HH2 ARG 665 173.978 -4.999 -13.795 571 2HH2 ARG 665 2HH2 ARG 665 173.530 -3.650 -14.785 572 H ALA 666 H ALA 666 179.739 -4.432 -9.444 573 HA ALA 666 HA ALA 666 181.469 -4.207 -7.285 574 1HB ALA 666 1HB ALA 666 181.842 -6.235 -8.139 575 2HB ALA 666 2HB ALA 666 183.008 -5.437 -9.193 576 3HB ALA 666 3HB ALA 666 181.366 -5.741 -9.762 577 H GLY 667 H GLY 667 182.995 -2.779 -6.799 578 1HA GLY 667 1HA GLY 667 185.138 -1.803 -7.657 579 2HA GLY 667 2HA GLY 667 184.178 -1.211 -9.007 580 H ASP 668 H ASP 668 181.935 -0.753 -6.970 581 HA ASP 668 HA ASP 668 182.415 1.998 -6.558 582 1HB ASP 668 1HB ASP 668 180.277 0.079 -5.968 583 2HB ASP 668 2HB ASP 668 180.409 1.368 -4.776 584 H GLU 669 H GLU 669 182.972 3.154 -4.739 585 HA GLU 669 HA GLU 669 184.296 1.588 -2.641 586 1HB GLU 669 1HB GLU 669 185.571 3.326 -3.973 587 2HB GLU 669 2HB GLU 669 184.591 4.543 -3.168 588 1HG GLU 669 1HG GLU 669 185.436 3.796 -1.003 589 2HG GLU 669 2HG GLU 669 186.419 2.574 -1.810 590 H VAL 670 H VAL 670 182.896 1.171 -1.035 591 HA VAL 670 HA VAL 670 180.961 3.171 -0.211 592 HB VAL 670 HB VAL 670 181.463 0.343 0.718 593 1HG1 VAL 670 1HG1 VAL 670 179.152 0.843 1.895 594 2HG1 VAL 670 2HG1 VAL 670 179.786 2.490 1.922 595 3HG1 VAL 670 3HG1 VAL 670 180.684 1.185 2.698 596 1HG2 VAL 670 1HG2 VAL 670 178.966 1.460 -0.515 597 2HG2 VAL 670 2HG2 VAL 670 179.481 -0.223 -0.390 598 3HG2 VAL 670 3HG2 VAL 670 180.304 0.871 -1.501 599 H LEU 671 H LEU 671 181.920 4.806 0.868 600 HA LEU 671 HA LEU 671 184.031 4.340 2.772 601 1HB LEU 671 1HB LEU 671 182.568 6.933 2.572 602 2HB LEU 671 2HB LEU 671 184.270 6.636 2.869 603 HG LEU 671 HG LEU 671 182.975 6.119 0.201 604 1HD1 LEU 671 1HD1 LEU 671 182.655 8.374 0.313 605 2HD1 LEU 671 2HD1 LEU 671 184.294 8.307 -0.335 606 3HD1 LEU 671 3HD1 LEU 671 184.036 8.633 1.379 607 1HD2 LEU 671 1HD2 LEU 671 185.856 6.562 0.949 608 2HD2 LEU 671 2HD2 LEU 671 185.219 6.093 -0.628 609 3HD2 LEU 671 3HD2 LEU 671 185.111 4.977 0.734 610 H GLU 672 H GLU 672 180.794 3.856 2.953 611 HA GLU 672 HA GLU 672 180.830 4.125 5.862 612 1HB GLU 672 1HB GLU 672 178.796 5.373 4.029 613 2HB GLU 672 2HB GLU 672 178.464 5.059 5.727 614 1HG GLU 672 1HG GLU 672 180.927 6.567 5.080 615 2HG GLU 672 2HG GLU 672 179.385 7.388 4.851 616 H TRP 673 H TRP 673 180.075 2.347 6.796 617 HA TRP 673 HA TRP 673 178.091 0.711 5.365 618 1HB TRP 673 1HB TRP 673 180.438 -0.245 5.230 619 2HB TRP 673 2HB TRP 673 180.365 -0.457 6.976 620 HD1 TRP 673 HD1 TRP 673 178.441 -2.208 7.887 621 HE1 TRP 673 HE1 TRP 673 177.497 -4.327 6.771 622 HE3 TRP 673 HE3 TRP 673 179.859 -1.284 3.065 623 HZ2 TRP 673 HZ2 TRP 673 177.376 -5.457 4.181 624 HZ3 TRP 673 HZ3 TRP 673 179.287 -2.932 1.332 625 HH2 TRP 673 HH2 TRP 673 178.074 -4.979 1.882 626 H ASN 674 H ASN 674 176.304 0.664 6.562 627 HA ASN 674 HA ASN 674 174.899 0.454 8.342 628 1HB ASN 674 1HB ASN 674 176.604 -1.388 8.951 629 2HB ASN 674 2HB ASN 674 177.247 -0.222 10.103 630 1HD2 ASN 674 1HD2 ASN 674 174.084 -1.465 9.073 631 2HD2 ASN 674 2HD2 ASN 674 173.453 -1.661 10.669 632 H GLY 675 H GLY 675 176.038 2.946 7.668 633 1HA GLY 675 1HA GLY 675 176.011 5.098 8.462 634 2HA GLY 675 2HA GLY 675 175.293 4.466 9.933 635 H LYS 676 H LYS 676 178.366 3.184 8.958 636 HA LYS 676 HA LYS 676 179.640 4.786 11.081 637 1HB LYS 676 1HB LYS 676 180.314 2.879 12.020 638 2HB LYS 676 2HB LYS 676 179.432 1.979 10.799 639 1HG LYS 676 1HG LYS 676 181.352 1.145 10.064 640 2HG LYS 676 2HG LYS 676 181.890 2.764 9.605 641 1HD LYS 676 1HD LYS 676 183.473 1.608 11.111 642 2HD LYS 676 2HD LYS 676 182.845 3.101 11.806 643 1HE LYS 676 1HE LYS 676 181.443 1.946 13.296 644 2HE LYS 676 2HE LYS 676 181.597 0.436 12.401 645 1HZ LYS 676 1HZ LYS 676 184.045 1.582 13.498 646 2HZ LYS 676 2HZ LYS 676 183.573 -0.037 13.364 647 3HZ LYS 676 3HZ LYS 676 182.948 0.925 14.607 648 HA PRO 677 HA PRO 677 182.513 6.069 7.977 649 1HB PRO 677 1HB PRO 677 184.489 7.044 9.495 650 2HB PRO 677 2HB PRO 677 182.904 7.825 9.455 651 1HG PRO 677 1HG PRO 677 184.071 6.012 11.523 652 2HG PRO 677 2HG PRO 677 183.075 7.462 11.736 653 1HD PRO 677 1HD PRO 677 182.131 4.859 11.845 654 2HD PRO 677 2HD PRO 677 181.132 6.289 11.527 655 H LEU 678 H LEU 678 183.585 4.644 6.808 656 HA LEU 678 HA LEU 678 185.171 2.554 8.026 657 1HB LEU 678 1HB LEU 678 184.599 3.066 5.113 658 2HB LEU 678 2HB LEU 678 185.310 1.614 5.791 659 HG LEU 678 HG LEU 678 182.516 2.585 6.391 660 1HD1 LEU 678 1HD1 LEU 678 181.986 1.793 4.382 661 2HD1 LEU 678 2HD1 LEU 678 182.356 0.190 5.019 662 3HD1 LEU 678 3HD1 LEU 678 183.590 1.098 4.147 663 1HD2 LEU 678 1HD2 LEU 678 184.039 0.093 7.131 664 2HD2 LEU 678 2HD2 LEU 678 182.280 0.223 7.235 665 3HD2 LEU 678 3HD2 LEU 678 183.301 1.281 8.208 666 HA PRO 679 HA PRO 679 188.299 5.199 5.025 667 1HB PRO 679 1HB PRO 679 187.559 7.569 6.709 668 2HB PRO 679 2HB PRO 679 188.234 7.524 5.075 669 1HG PRO 679 1HG PRO 679 185.632 7.934 5.442 670 2HG PRO 679 2HG PRO 679 186.209 6.914 4.112 671 1HD PRO 679 1HD PRO 679 184.864 6.143 6.636 672 2HD PRO 679 2HD PRO 679 184.880 5.315 5.067 673 H GLY 680 H GLY 680 190.007 4.211 5.904 674 1HA GLY 680 1HA GLY 680 191.954 4.517 7.300 675 2HA GLY 680 2HA GLY 680 190.892 5.120 8.565 676 H ALA 681 H ALA 681 189.119 2.686 7.544 677 HA ALA 681 HA ALA 681 190.196 0.861 9.546 678 1HB ALA 681 1HB ALA 681 187.603 1.604 8.748 679 2HB ALA 681 2HB ALA 681 188.063 0.437 9.984 680 3HB ALA 681 3HB ALA 681 187.788 -0.099 8.327 681 H THR 682 H THR 682 191.036 -1.106 9.121 682 HA THR 682 HA THR 682 191.618 -1.735 6.344 683 HB THR 682 HB THR 682 193.480 -1.870 7.847 684 HG1 THR 682 HG1 THR 682 194.047 -4.078 7.594 685 1HG2 THR 682 1HG2 THR 682 192.632 -2.159 9.985 686 2HG2 THR 682 2HG2 THR 682 193.457 -3.680 9.642 687 3HG2 THR 682 3HG2 THR 682 191.699 -3.584 9.528 688 H ASN 683 H ASN 683 191.758 -4.327 6.074 689 HA ASN 683 HA ASN 683 189.208 -5.224 5.582 690 1HB ASN 683 1HB ASN 683 190.257 -7.547 5.588 691 2HB ASN 683 2HB ASN 683 191.003 -6.356 4.529 692 1HD2 ASN 683 1HD2 ASN 683 192.608 -8.274 4.904 693 2HD2 ASN 683 2HD2 ASN 683 193.805 -7.973 6.112 694 H GLU 684 H GLU 684 191.211 -5.944 8.435 695 HA GLU 684 HA GLU 684 189.331 -7.617 9.695 696 1HB GLU 684 1HB GLU 684 191.838 -6.272 10.444 697 2HB GLU 684 2HB GLU 684 190.736 -6.548 11.787 698 1HG GLU 684 1HG GLU 684 190.742 -8.889 11.425 699 2HG GLU 684 2HG GLU 684 191.570 -8.713 9.879 700 H GLU 685 H GLU 685 189.777 -4.132 9.730 701 HA GLU 685 HA GLU 685 188.033 -3.577 11.880 702 1HB GLU 685 1HB GLU 685 189.629 -2.089 10.126 703 2HB GLU 685 2HB GLU 685 187.990 -1.528 9.832 704 1HG GLU 685 1HG GLU 685 187.889 -0.445 11.776 705 2HG GLU 685 2HG GLU 685 188.631 -1.777 12.661 706 H VAL 686 H VAL 686 187.480 -3.214 8.378 707 HA VAL 686 HA VAL 686 184.769 -2.764 8.397 708 HB VAL 686 HB VAL 686 186.396 -4.312 6.377 709 1HG1 VAL 686 1HG1 VAL 686 184.056 -4.878 6.115 710 2HG1 VAL 686 2HG1 VAL 686 184.575 -3.832 4.792 711 3HG1 VAL 686 3HG1 VAL 686 183.616 -3.170 6.116 712 1HG2 VAL 686 1HG2 VAL 686 186.890 -1.839 6.950 713 2HG2 VAL 686 2HG2 VAL 686 185.400 -1.506 6.069 714 3HG2 VAL 686 3HG2 VAL 686 186.743 -2.309 5.257 715 H TYR 687 H TYR 687 186.489 -5.846 8.516 716 HA TYR 687 HA TYR 687 184.452 -7.654 8.196 717 1HB TYR 687 1HB TYR 687 186.989 -7.647 9.743 718 2HB TYR 687 2HB TYR 687 185.826 -8.905 10.141 719 HD1 TYR 687 HD1 TYR 687 186.206 -7.542 6.745 720 HD2 TYR 687 HD2 TYR 687 187.187 -10.729 9.381 721 HE1 TYR 687 HE1 TYR 687 187.004 -8.866 4.830 722 HE2 TYR 687 HE2 TYR 687 187.986 -12.065 7.479 723 HH TYR 687 HH TYR 687 187.728 -12.208 5.087 724 H ASN 688 H ASN 688 185.438 -6.107 11.228 725 HA ASN 688 HA ASN 688 183.421 -7.267 12.825 726 1HB ASN 688 1HB ASN 688 185.530 -5.308 13.151 727 2HB ASN 688 2HB ASN 688 184.070 -4.803 13.995 728 1HD2 ASN 688 1HD2 ASN 688 186.809 -6.735 14.101 729 2HD2 ASN 688 2HD2 ASN 688 186.406 -7.676 15.493 730 H ILE 689 H ILE 689 183.629 -4.112 11.202 731 HA ILE 689 HA ILE 689 181.233 -3.024 12.094 732 HB ILE 689 HB ILE 689 182.749 -2.624 9.522 733 1HG1 ILE 689 1HG1 ILE 689 182.775 -0.260 10.832 734 2HG1 ILE 689 2HG1 ILE 689 182.645 -1.362 12.198 735 1HG2 ILE 689 1HG2 ILE 689 180.470 -2.143 8.956 736 2HG2 ILE 689 2HG2 ILE 689 181.324 -0.614 9.159 737 3HG2 ILE 689 3HG2 ILE 689 180.253 -1.201 10.431 738 1HD1 ILE 689 1HD1 ILE 689 184.969 -0.581 11.115 739 2HD1 ILE 689 2HD1 ILE 689 184.678 -2.055 10.192 740 3HD1 ILE 689 3HD1 ILE 689 184.745 -2.116 11.953 741 H ILE 690 H ILE 690 181.735 -4.568 8.905 742 HA ILE 690 HA ILE 690 179.046 -4.694 8.204 743 HB ILE 690 HB ILE 690 181.199 -6.640 7.367 744 1HG1 ILE 690 1HG1 ILE 690 180.516 -3.845 6.528 745 2HG1 ILE 690 2HG1 ILE 690 182.094 -4.581 6.766 746 1HG2 ILE 690 1HG2 ILE 690 178.602 -5.862 6.036 747 2HG2 ILE 690 2HG2 ILE 690 178.934 -7.395 6.843 748 3HG2 ILE 690 3HG2 ILE 690 179.813 -6.962 5.376 749 1HD1 ILE 690 1HD1 ILE 690 180.502 -4.335 4.362 750 2HD1 ILE 690 2HD1 ILE 690 181.045 -5.988 4.639 751 3HD1 ILE 690 3HD1 ILE 690 182.220 -4.676 4.554 752 H LEU 691 H LEU 691 181.045 -7.376 9.506 753 HA LEU 691 HA LEU 691 179.094 -9.288 9.759 754 1HB LEU 691 1HB LEU 691 181.514 -8.668 11.397 755 2HB LEU 691 2HB LEU 691 180.429 -9.943 11.909 756 HG LEU 691 HG LEU 691 180.969 -11.316 10.134 757 1HD1 LEU 691 1HD1 LEU 691 180.478 -9.678 8.368 758 2HD1 LEU 691 2HD1 LEU 691 181.942 -10.605 8.035 759 3HD1 LEU 691 3HD1 LEU 691 182.062 -8.947 8.625 760 1HD2 LEU 691 1HD2 LEU 691 183.314 -11.504 10.099 761 2HD2 LEU 691 2HD2 LEU 691 182.923 -10.778 11.659 762 3HD2 LEU 691 3HD2 LEU 691 183.535 -9.773 10.346 763 H GLU 692 H GLU 692 179.939 -6.841 12.175 764 HA GLU 692 HA GLU 692 178.034 -7.538 14.095 765 1HB GLU 692 1HB GLU 692 179.485 -4.999 13.443 766 2HB GLU 692 2HB GLU 692 178.205 -4.981 14.648 767 1HG GLU 692 1HG GLU 692 179.654 -7.107 15.480 768 2HG GLU 692 2HG GLU 692 180.915 -6.090 14.786 769 H SER 693 H SER 693 177.716 -5.869 11.080 770 HA SER 693 HA SER 693 175.046 -4.896 11.717 771 1HB SER 693 1HB SER 693 176.468 -3.385 10.465 772 2HB SER 693 2HB SER 693 176.746 -4.613 9.231 773 HG SER 693 HG SER 693 175.151 -3.208 8.520 774 H LYS 694 H LYS 694 176.492 -7.669 10.375 775 HA LYS 694 HA LYS 694 174.580 -8.395 8.439 776 1HB LYS 694 1HB LYS 694 176.689 -9.797 9.976 777 2HB LYS 694 2HB LYS 694 175.409 -10.806 9.319 778 1HG LYS 694 1HG LYS 694 175.876 -9.647 7.094 779 2HG LYS 694 2HG LYS 694 177.364 -9.073 7.851 780 1HD LYS 694 1HD LYS 694 177.228 -11.812 8.430 781 2HD LYS 694 2HD LYS 694 176.754 -11.661 6.737 782 1HE LYS 694 1HE LYS 694 178.910 -9.969 6.919 783 2HE LYS 694 2HE LYS 694 179.360 -11.288 8.000 784 1HZ LYS 694 1HZ LYS 694 178.773 -12.820 6.125 785 2HZ LYS 694 2HZ LYS 694 180.138 -11.856 5.863 786 3HZ LYS 694 3HZ LYS 694 178.669 -11.460 5.123 787 H SER 695 H SER 695 174.489 -8.401 11.886 788 HA SER 695 HA SER 695 172.287 -10.272 12.058 789 1HB SER 695 1HB SER 695 174.156 -9.895 13.818 790 2HB SER 695 2HB SER 695 173.202 -8.493 14.304 791 HG SER 695 HG SER 695 172.714 -11.179 14.670 792 H GLU 696 H GLU 696 172.762 -6.852 11.791 793 HA GLU 696 HA GLU 696 170.264 -6.020 12.849 794 1HB GLU 696 1HB GLU 696 172.484 -4.790 11.349 795 2HB GLU 696 2HB GLU 696 170.913 -4.043 11.089 796 1HG GLU 696 1HG GLU 696 171.023 -4.353 13.823 797 2HG GLU 696 2HG GLU 696 172.677 -3.927 13.389 798 HA PRO 697 HA PRO 697 167.644 -7.100 9.450 799 1HB PRO 697 1HB PRO 697 165.485 -5.609 10.028 800 2HB PRO 697 2HB PRO 697 165.958 -6.991 11.023 801 1HG PRO 697 1HG PRO 697 166.422 -4.071 11.491 802 2HG PRO 697 2HG PRO 697 165.919 -5.322 12.642 803 1HD PRO 697 1HD PRO 697 168.491 -4.411 12.414 804 2HD PRO 697 2HD PRO 697 168.068 -6.035 12.991 805 H GLN 698 H GLN 698 169.116 -4.103 9.748 806 HA GLN 698 HA GLN 698 168.495 -3.445 7.000 807 1HB GLN 698 1HB GLN 698 166.676 -2.340 8.235 808 2HB GLN 698 2HB GLN 698 167.858 -1.505 9.232 809 1HG GLN 698 1HG GLN 698 168.734 -0.432 7.157 810 2HG GLN 698 2HG GLN 698 167.378 -1.148 6.287 811 1HE2 GLN 698 1HE2 GLN 698 166.326 0.696 5.750 812 2HE2 GLN 698 2HE2 GLN 698 165.629 1.781 6.899 813 H VAL 699 H VAL 699 169.907 -1.811 6.117 814 HA VAL 699 HA VAL 699 172.181 -1.022 7.773 815 HB VAL 699 HB VAL 699 172.435 -2.651 5.243 816 1HG1 VAL 699 1HG1 VAL 699 174.030 -0.837 5.107 817 2HG1 VAL 699 2HG1 VAL 699 174.878 -2.339 5.484 818 3HG1 VAL 699 3HG1 VAL 699 174.575 -1.155 6.755 819 1HG2 VAL 699 1HG2 VAL 699 172.922 -3.136 8.128 820 2HG2 VAL 699 2HG2 VAL 699 174.047 -3.856 6.975 821 3HG2 VAL 699 3HG2 VAL 699 172.326 -4.229 6.877 822 H GLU 700 H GLU 700 173.462 0.652 6.867 823 HA GLU 700 HA GLU 700 172.258 2.074 4.589 824 1HB GLU 700 1HB GLU 700 171.538 3.211 6.618 825 2HB GLU 700 2HB GLU 700 173.195 3.278 7.203 826 1HG GLU 700 1HG GLU 700 173.804 4.784 5.416 827 2HG GLU 700 2HG GLU 700 172.186 4.658 4.725 828 H ILE 701 H ILE 701 173.761 1.946 3.028 829 HA ILE 701 HA ILE 701 176.572 2.366 3.799 830 HB ILE 701 HB ILE 701 176.944 1.220 1.453 831 1HG1 ILE 701 1HG1 ILE 701 174.266 0.135 2.355 832 2HG1 ILE 701 2HG1 ILE 701 174.612 0.971 0.845 833 1HG2 ILE 701 1HG2 ILE 701 177.918 0.365 3.429 834 2HG2 ILE 701 2HG2 ILE 701 177.067 -0.979 2.669 835 3HG2 ILE 701 3HG2 ILE 701 176.356 -0.158 4.059 836 1HD1 ILE 701 1HD1 ILE 701 175.995 -1.591 1.522 837 2HD1 ILE 701 2HD1 ILE 701 175.714 -0.856 -0.058 838 3HD1 ILE 701 3HD1 ILE 701 174.372 -1.588 0.827 839 H ILE 702 H ILE 702 177.777 3.839 2.766 840 HA ILE 702 HA ILE 702 176.458 5.434 0.665 841 HB ILE 702 HB ILE 702 178.595 6.523 2.478 842 1HG1 ILE 702 1HG1 ILE 702 176.882 5.784 4.001 843 2HG1 ILE 702 2HG1 ILE 702 176.745 7.530 3.835 844 1HG2 ILE 702 1HG2 ILE 702 178.108 8.550 1.595 845 2HG2 ILE 702 2HG2 ILE 702 176.401 8.168 1.371 846 3HG2 ILE 702 3HG2 ILE 702 177.600 7.551 0.233 847 1HD1 ILE 702 1HD1 ILE 702 174.755 7.399 2.706 848 2HD1 ILE 702 2HD1 ILE 702 174.625 6.020 3.797 849 3HD1 ILE 702 3HD1 ILE 702 175.070 5.770 2.109 850 H VAL 703 H VAL 703 177.707 6.103 -1.095 851 HA VAL 703 HA VAL 703 180.409 4.942 -1.259 852 HB VAL 703 HB VAL 703 179.919 4.530 -3.714 853 1HG1 VAL 703 1HG1 VAL 703 178.354 2.911 -1.707 854 2HG1 VAL 703 2HG1 VAL 703 180.083 2.753 -2.026 855 3HG1 VAL 703 3HG1 VAL 703 178.913 2.366 -3.289 856 1HG2 VAL 703 1HG2 VAL 703 177.956 5.784 -4.091 857 2HG2 VAL 703 2HG2 VAL 703 177.131 5.053 -2.716 858 3HG2 VAL 703 3HG2 VAL 703 177.456 4.094 -4.158 859 H SER 704 H SER 704 181.472 5.787 -3.410 860 HA SER 704 HA SER 704 180.846 8.614 -3.847 861 1HB SER 704 1HB SER 704 182.979 9.412 -3.292 862 2HB SER 704 2HB SER 704 182.641 8.251 -2.009 863 HG SER 704 HG SER 704 184.605 7.657 -2.667 864 H ARG 705 H ARG 705 180.466 8.643 -5.967 865 HA ARG 705 HA ARG 705 181.891 6.901 -7.780 866 1HB ARG 705 1HB ARG 705 179.409 7.608 -7.918 867 2HB ARG 705 2HB ARG 705 180.021 9.106 -8.605 868 1HG ARG 705 1HG ARG 705 181.317 7.393 -10.174 869 2HG ARG 705 2HG ARG 705 179.930 6.385 -9.759 870 1HD ARG 705 1HD ARG 705 178.664 8.681 -10.333 871 2HD ARG 705 2HD ARG 705 180.072 8.852 -11.379 872 HE ARG 705 HE ARG 705 178.910 6.282 -11.663 873 1HH1 ARG 705 1HH1 ARG 705 178.444 9.627 -12.543 874 2HH1 ARG 705 2HH1 ARG 705 177.557 9.254 -13.982 875 1HH2 ARG 705 1HH2 ARG 705 177.743 5.790 -13.555 876 2HH2 ARG 705 2HH2 ARG 705 177.156 7.076 -14.556 877 H GLU 943 H GLU 943 189.272 -12.386 -4.078 878 HA GLU 943 HA GLU 943 190.651 -11.932 -2.320 879 1HB GLU 943 1HB GLU 943 191.727 -9.670 -2.113 880 2HB GLU 943 2HB GLU 943 192.323 -10.643 -3.450 881 1HG GLU 943 1HG GLU 943 190.098 -8.948 -4.219 882 2HG GLU 943 2HG GLU 943 191.462 -8.031 -3.578 883 H GLU 944 H GLU 944 187.950 -11.930 -2.523 884 HA GLU 944 HA GLU 944 186.604 -9.582 -1.827 885 1HB GLU 944 1HB GLU 944 184.799 -11.016 -1.074 886 2HB GLU 944 2HB GLU 944 185.484 -11.654 -2.561 887 1HG GLU 944 1HG GLU 944 186.751 -12.758 -0.195 888 2HG GLU 944 2HG GLU 944 185.014 -13.056 -0.238 889 H GLY 945 H GLY 945 185.251 -9.876 0.488 890 1HA GLY 945 1HA GLY 945 187.158 -10.333 2.643 891 2HA GLY 945 2HA GLY 945 186.610 -8.678 2.433 892 H ILE 946 H ILE 946 183.923 -9.101 1.799 893 HA ILE 946 HA ILE 946 182.842 -10.663 4.028 894 HB ILE 946 HB ILE 946 181.349 -8.224 3.897 895 1HG1 ILE 946 1HG1 ILE 946 183.668 -7.397 3.096 896 2HG1 ILE 946 2HG1 ILE 946 182.890 -6.536 4.412 897 1HG2 ILE 946 1HG2 ILE 946 181.642 -8.223 6.249 898 2HG2 ILE 946 2HG2 ILE 946 183.107 -9.201 6.140 899 3HG2 ILE 946 3HG2 ILE 946 181.540 -9.912 5.751 900 1HD1 ILE 946 1HD1 ILE 946 184.456 -7.120 5.904 901 2HD1 ILE 946 2HD1 ILE 946 185.443 -7.316 4.453 902 3HD1 ILE 946 3HD1 ILE 946 184.683 -8.721 5.201 903 H TRP 947 H TRP 947 180.706 -11.311 3.777 904 HA TRP 947 HA TRP 947 179.721 -11.160 1.031 905 1HB TRP 947 1HB TRP 947 179.613 -13.156 3.130 906 2HB TRP 947 2HB TRP 947 178.007 -12.826 2.481 907 HD1 TRP 947 HD1 TRP 947 180.359 -15.338 1.989 908 HE1 TRP 947 HE1 TRP 947 180.511 -16.178 -0.440 909 HE3 TRP 947 HE3 TRP 947 178.050 -11.436 -0.368 910 HZ2 TRP 947 HZ2 TRP 947 179.755 -15.293 -3.020 911 HZ3 TRP 947 HZ3 TRP 947 177.806 -11.507 -2.814 912 HH2 TRP 947 HH2 TRP 947 178.641 -13.398 -4.111 913 H ALA 948 H ALA 948 178.251 -9.717 0.508 914 HA ALA 948 HA ALA 948 176.166 -9.037 2.448 915 1HB ALA 948 1HB ALA 948 178.115 -7.160 1.207 916 2HB ALA 948 2HB ALA 948 177.432 -7.167 2.833 917 3HB ALA 948 3HB ALA 948 176.460 -6.610 1.470 Start of MODEL 19 1 H HIS 597 H HIS 597 163.628 1.727 -0.009 2 HA HIS 597 HA HIS 597 162.548 4.225 -1.092 3 1HB HIS 597 1HB HIS 597 164.525 3.427 1.046 4 2HB HIS 597 2HB HIS 597 164.391 5.080 0.455 5 HD1 HIS 597 HD1 HIS 597 161.100 4.544 0.263 6 HD2 HIS 597 HD2 HIS 597 163.618 4.443 3.565 7 HE1 HIS 597 HE1 HIS 597 159.615 4.943 2.253 8 HE2 HIS 597 HE2 HIS 597 161.175 4.967 4.230 9 HA PRO 598 HA PRO 598 165.702 3.849 -4.238 10 1HB PRO 598 1HB PRO 598 165.434 6.299 -5.332 11 2HB PRO 598 2HB PRO 598 164.240 5.021 -5.583 12 1HG PRO 598 1HG PRO 598 164.165 7.334 -3.686 13 2HG PRO 598 2HG PRO 598 162.873 6.689 -4.715 14 1HD PRO 598 1HD PRO 598 163.083 6.125 -2.061 15 2HD PRO 598 2HD PRO 598 162.367 5.005 -3.237 16 H VAL 599 H VAL 599 167.628 5.135 -4.980 17 HA VAL 599 HA VAL 599 168.940 6.315 -2.638 18 HB VAL 599 HB VAL 599 169.956 4.837 -5.029 19 1HG1 VAL 599 1HG1 VAL 599 171.304 6.801 -5.172 20 2HG1 VAL 599 2HG1 VAL 599 172.280 5.547 -4.405 21 3HG1 VAL 599 3HG1 VAL 599 171.558 6.825 -3.426 22 1HG2 VAL 599 1HG2 VAL 599 171.321 3.739 -3.264 23 2HG2 VAL 599 2HG2 VAL 599 169.581 3.588 -3.017 24 3HG2 VAL 599 3HG2 VAL 599 170.509 4.752 -2.071 25 H THR 600 H THR 600 170.197 8.209 -2.834 26 HA THR 600 HA THR 600 169.590 9.870 -5.185 27 HB THR 600 HB THR 600 169.693 11.778 -3.349 28 HG1 THR 600 HG1 THR 600 168.643 9.595 -1.882 29 1HG2 THR 600 1HG2 THR 600 167.266 10.050 -3.751 30 2HG2 THR 600 2HG2 THR 600 167.755 11.420 -4.748 31 3HG2 THR 600 3HG2 THR 600 167.268 11.679 -3.073 32 H TRP 601 H TRP 601 171.138 11.448 -5.733 33 HA TRP 601 HA TRP 601 173.746 11.176 -4.395 34 1HB TRP 601 1HB TRP 601 173.334 11.382 -7.385 35 2HB TRP 601 2HB TRP 601 174.875 11.222 -6.549 36 HD1 TRP 601 HD1 TRP 601 171.739 9.187 -7.444 37 HE1 TRP 601 HE1 TRP 601 172.322 6.685 -7.283 38 HE3 TRP 601 HE3 TRP 601 176.444 9.574 -5.479 39 HZ2 TRP 601 HZ2 TRP 601 174.490 5.087 -6.435 40 HZ3 TRP 601 HZ3 TRP 601 177.704 7.511 -5.022 41 HH2 TRP 601 HH2 TRP 601 176.746 5.315 -5.489 42 H GLN 602 H GLN 602 174.506 13.061 -3.707 43 HA GLN 602 HA GLN 602 173.594 15.517 -5.057 44 1HB GLN 602 1HB GLN 602 173.877 16.647 -2.853 45 2HB GLN 602 2HB GLN 602 172.618 15.420 -2.861 46 1HG GLN 602 1HG GLN 602 173.570 14.464 -1.114 47 2HG GLN 602 2HG GLN 602 174.998 14.129 -2.093 48 1HE2 GLN 602 1HE2 GLN 602 173.552 16.250 0.246 49 2HE2 GLN 602 2HE2 GLN 602 174.998 17.085 0.686 50 HA PRO 603 HA PRO 603 177.707 16.808 -5.912 51 1HB PRO 603 1HB PRO 603 177.176 19.334 -4.440 52 2HB PRO 603 2HB PRO 603 177.705 19.093 -6.108 53 1HG PRO 603 1HG PRO 603 175.203 19.831 -5.565 54 2HG PRO 603 2HG PRO 603 175.553 18.683 -6.870 55 1HD PRO 603 1HD PRO 603 174.482 18.168 -4.127 56 2HD PRO 603 2HD PRO 603 174.053 17.399 -5.668 57 H SER 604 H SER 604 179.456 16.076 -4.921 58 HA SER 604 HA SER 604 179.672 15.643 -2.162 59 1HB SER 604 1HB SER 604 181.951 14.993 -2.587 60 2HB SER 604 2HB SER 604 180.975 14.452 -3.952 61 HG SER 604 HG SER 604 181.655 16.564 -4.916 62 H LYS 605 H LYS 605 181.806 16.490 -1.016 63 HA LYS 605 HA LYS 605 181.369 19.295 -0.606 64 1HB LYS 605 1HB LYS 605 181.972 17.507 1.152 65 2HB LYS 605 2HB LYS 605 183.626 17.711 0.592 66 1HG LYS 605 1HG LYS 605 183.306 19.078 2.521 67 2HG LYS 605 2HG LYS 605 183.446 20.132 1.113 68 1HD LYS 605 1HD LYS 605 180.744 19.671 1.247 69 2HD LYS 605 2HD LYS 605 181.205 19.730 2.948 70 1HE LYS 605 1HE LYS 605 181.482 21.940 2.880 71 2HE LYS 605 2HE LYS 605 182.480 21.838 1.430 72 1HZ LYS 605 1HZ LYS 605 179.634 21.429 1.036 73 2HZ LYS 605 2HZ LYS 605 180.745 22.292 0.098 74 3HZ LYS 605 3HZ LYS 605 180.090 22.994 1.491 75 H GLU 606 H GLU 606 183.254 17.577 -2.785 76 HA GLU 606 HA GLU 606 185.326 19.643 -2.919 77 1HB GLU 606 1HB GLU 606 185.105 16.831 -3.887 78 2HB GLU 606 2HB GLU 606 186.129 17.938 -4.792 79 1HG GLU 606 1HG GLU 606 187.745 17.448 -3.362 80 2HG GLU 606 2HG GLU 606 186.846 18.363 -2.152 81 H GLY 607 H GLY 607 182.501 18.484 -4.544 82 1HA GLY 607 1HA GLY 607 181.275 19.648 -6.153 83 2HA GLY 607 2HA GLY 607 182.647 20.718 -6.391 84 H ASP 608 H ASP 608 183.550 17.455 -6.471 85 HA ASP 608 HA ASP 608 183.312 17.383 -9.402 86 1HB ASP 608 1HB ASP 608 185.561 16.407 -9.536 87 2HB ASP 608 2HB ASP 608 185.603 18.009 -8.806 88 H ARG 609 H ARG 609 182.555 15.862 -6.544 89 HA ARG 609 HA ARG 609 182.248 13.285 -7.926 90 1HB ARG 609 1HB ARG 609 183.598 13.882 -5.397 91 2HB ARG 609 2HB ARG 609 182.399 12.604 -5.258 92 1HG ARG 609 1HG ARG 609 183.630 11.143 -6.428 93 2HG ARG 609 2HG ARG 609 184.179 12.366 -7.577 94 1HD ARG 609 1HD ARG 609 186.073 12.745 -6.441 95 2HD ARG 609 2HD ARG 609 185.249 12.724 -4.882 96 HE ARG 609 HE ARG 609 185.295 10.116 -5.586 97 1HH1 ARG 609 1HH1 ARG 609 187.766 12.571 -5.391 98 2HH1 ARG 609 2HH1 ARG 609 189.027 11.449 -5.005 99 1HH2 ARG 609 1HH2 ARG 609 186.952 8.637 -5.078 100 2HH2 ARG 609 2HH2 ARG 609 188.565 9.216 -4.829 101 H LEU 610 H LEU 610 180.471 11.973 -7.163 102 HA LEU 610 HA LEU 610 178.309 13.598 -5.992 103 1HB LEU 610 1HB LEU 610 178.429 11.917 -8.357 104 2HB LEU 610 2HB LEU 610 177.128 11.430 -7.288 105 HG LEU 610 HG LEU 610 176.429 13.045 -9.037 106 1HD1 LEU 610 1HD1 LEU 610 174.897 13.168 -7.381 107 2HD1 LEU 610 2HD1 LEU 610 175.581 14.782 -7.184 108 3HD1 LEU 610 3HD1 LEU 610 176.107 13.469 -6.133 109 1HD2 LEU 610 1HD2 LEU 610 178.434 14.369 -9.224 110 2HD2 LEU 610 2HD2 LEU 610 178.281 14.902 -7.550 111 3HD2 LEU 610 3HD2 LEU 610 177.094 15.412 -8.750 112 H ILE 611 H ILE 611 177.875 13.033 -3.971 113 HA ILE 611 HA ILE 611 178.432 10.303 -3.081 114 HB ILE 611 HB ILE 611 177.583 12.629 -1.363 115 1HG1 ILE 611 1HG1 ILE 611 179.614 13.280 -2.524 116 2HG1 ILE 611 2HG1 ILE 611 179.999 12.905 -0.847 117 1HG2 ILE 611 1HG2 ILE 611 177.694 9.996 -0.745 118 2HG2 ILE 611 2HG2 ILE 611 177.927 11.301 0.418 119 3HG2 ILE 611 3HG2 ILE 611 179.325 10.510 -0.312 120 1HD1 ILE 611 1HD1 ILE 611 181.164 11.859 -3.183 121 2HD1 ILE 611 2HD1 ILE 611 180.286 10.541 -2.406 122 3HD1 ILE 611 3HD1 ILE 611 181.509 11.437 -1.506 123 H GLY 612 H GLY 612 176.902 8.941 -2.244 124 1HA GLY 612 1HA GLY 612 174.115 9.885 -2.200 125 2HA GLY 612 2HA GLY 612 174.526 8.455 -3.135 126 H ARG 613 H ARG 613 172.632 8.396 -1.105 127 HA ARG 613 HA ARG 613 174.015 6.824 0.971 128 1HB ARG 613 1HB ARG 613 171.399 8.320 1.229 129 2HB ARG 613 2HB ARG 613 172.184 7.388 2.497 130 1HG ARG 613 1HG ARG 613 173.619 9.035 2.996 131 2HG ARG 613 2HG ARG 613 173.852 9.485 1.306 132 1HD ARG 613 1HD ARG 613 171.622 10.580 1.349 133 2HD ARG 613 2HD ARG 613 171.523 10.225 3.073 134 HE ARG 613 HE ARG 613 173.065 12.297 1.813 135 1HH1 ARG 613 1HH1 ARG 613 172.773 10.263 4.635 136 2HH1 ARG 613 2HH1 ARG 613 173.644 11.350 5.663 137 1HH2 ARG 613 1HH2 ARG 613 174.210 13.729 3.165 138 2HH2 ARG 613 2HH2 ARG 613 174.460 13.319 4.829 139 H VAL 614 H VAL 614 173.548 4.699 0.999 140 HA VAL 614 HA VAL 614 171.092 3.848 -0.386 141 HB VAL 614 HB VAL 614 173.635 2.250 -0.114 142 1HG1 VAL 614 1HG1 VAL 614 172.436 1.045 -2.095 143 2HG1 VAL 614 2HG1 VAL 614 170.986 1.771 -1.402 144 3HG1 VAL 614 3HG1 VAL 614 171.977 0.683 -0.431 145 1HG2 VAL 614 1HG2 VAL 614 174.483 3.394 -1.817 146 2HG2 VAL 614 2HG2 VAL 614 173.050 4.421 -1.861 147 3HG2 VAL 614 3HG2 VAL 614 173.101 2.935 -2.811 148 H ILE 615 H ILE 615 169.672 2.655 0.679 149 HA ILE 615 HA ILE 615 170.432 1.603 3.324 150 HB ILE 615 HB ILE 615 167.569 1.993 2.567 151 1HG1 ILE 615 1HG1 ILE 615 168.557 4.134 1.964 152 2HG1 ILE 615 2HG1 ILE 615 167.642 4.307 3.458 153 1HG2 ILE 615 1HG2 ILE 615 169.194 1.703 5.020 154 2HG2 ILE 615 2HG2 ILE 615 167.601 1.055 4.627 155 3HG2 ILE 615 3HG2 ILE 615 167.769 2.739 5.124 156 1HD1 ILE 615 1HD1 ILE 615 170.098 5.293 3.113 157 2HD1 ILE 615 2HD1 ILE 615 170.513 3.700 3.745 158 3HD1 ILE 615 3HD1 ILE 615 169.476 4.777 4.680 159 H LEU 616 H LEU 616 170.579 -0.546 3.421 160 HA LEU 616 HA LEU 616 168.980 -2.124 1.516 161 1HB LEU 616 1HB LEU 616 171.822 -2.215 2.233 162 2HB LEU 616 2HB LEU 616 171.036 -3.783 2.225 163 HG LEU 616 HG LEU 616 171.058 -1.848 -0.092 164 1HD1 LEU 616 1HD1 LEU 616 173.171 -3.322 0.755 165 2HD1 LEU 616 2HD1 LEU 616 172.874 -2.866 -0.924 166 3HD1 LEU 616 3HD1 LEU 616 172.379 -4.454 -0.341 167 1HD2 LEU 616 1HD2 LEU 616 169.682 -3.231 -1.201 168 2HD2 LEU 616 2HD2 LEU 616 169.189 -3.729 0.417 169 3HD2 LEU 616 3HD2 LEU 616 170.378 -4.679 -0.474 170 H ASN 617 H ASN 617 168.162 -4.129 2.197 171 HA ASN 617 HA ASN 617 168.169 -4.599 5.099 172 1HB ASN 617 1HB ASN 617 165.825 -4.266 3.267 173 2HB ASN 617 2HB ASN 617 165.696 -5.381 4.623 174 1HD2 ASN 617 1HD2 ASN 617 165.308 -2.238 3.635 175 2HD2 ASN 617 2HD2 ASN 617 165.235 -1.473 5.182 176 H LYS 618 H LYS 618 169.066 -6.530 5.414 177 HA LYS 618 HA LYS 618 168.746 -8.596 3.357 178 1HB LYS 618 1HB LYS 618 170.578 -9.750 4.719 179 2HB LYS 618 2HB LYS 618 171.026 -8.304 3.825 180 1HG LYS 618 1HG LYS 618 171.576 -7.193 5.679 181 2HG LYS 618 2HG LYS 618 170.143 -7.745 6.546 182 1HD LYS 618 1HD LYS 618 172.174 -8.552 7.626 183 2HD LYS 618 2HD LYS 618 171.235 -9.896 6.976 184 1HE LYS 618 1HE LYS 618 172.763 -9.563 4.881 185 2HE LYS 618 2HE LYS 618 173.829 -8.756 6.031 186 1HZ LYS 618 1HZ LYS 618 173.520 -10.864 7.419 187 2HZ LYS 618 2HZ LYS 618 174.527 -10.953 6.063 188 3HZ LYS 618 3HZ LYS 618 172.955 -11.575 5.990 189 H ARG 619 H ARG 619 168.176 -7.947 6.761 190 HA ARG 619 HA ARG 619 167.324 -10.604 7.382 191 1HB ARG 619 1HB ARG 619 167.948 -8.273 8.824 192 2HB ARG 619 2HB ARG 619 166.270 -8.635 9.202 193 1HG ARG 619 1HG ARG 619 168.559 -10.575 9.454 194 2HG ARG 619 2HG ARG 619 167.846 -9.657 10.783 195 1HD ARG 619 1HD ARG 619 165.667 -10.850 9.578 196 2HD ARG 619 2HD ARG 619 166.918 -12.088 9.483 197 HE ARG 619 HE ARG 619 167.046 -11.213 12.057 198 1HH1 ARG 619 1HH1 ARG 619 164.495 -12.469 10.034 199 2HH1 ARG 619 2HH1 ARG 619 163.625 -13.175 11.354 200 1HH2 ARG 619 1HH2 ARG 619 165.904 -12.142 13.796 201 2HH2 ARG 619 2HH2 ARG 619 164.424 -12.989 13.490 202 H THR 620 H THR 620 165.872 -8.226 5.563 203 HA THR 620 HA THR 620 163.157 -8.842 6.438 204 HB THR 620 HB THR 620 162.443 -7.076 4.959 205 HG1 THR 620 HG1 THR 620 165.098 -7.193 4.005 206 1HG2 THR 620 1HG2 THR 620 164.967 -6.171 6.318 207 2HG2 THR 620 2HG2 THR 620 163.393 -6.335 7.097 208 3HG2 THR 620 3HG2 THR 620 163.619 -5.155 5.806 209 H THR 621 H THR 621 165.044 -10.728 4.952 210 HA THR 621 HA THR 621 164.875 -12.368 3.389 211 HB THR 621 HB THR 621 161.959 -11.633 3.159 212 HG1 THR 621 HG1 THR 621 161.671 -13.095 4.913 213 1HG2 THR 621 1HG2 THR 621 162.934 -13.395 1.637 214 2HG2 THR 621 2HG2 THR 621 161.561 -13.885 2.630 215 3HG2 THR 621 3HG2 THR 621 163.196 -14.364 3.087 216 H MET 622 H MET 622 164.747 -12.751 1.118 217 HA MET 622 HA MET 622 164.726 -10.260 -0.433 218 1HB MET 622 1HB MET 622 166.084 -12.913 -0.794 219 2HB MET 622 2HB MET 622 165.866 -11.832 -2.164 220 1HG MET 622 1HG MET 622 167.867 -11.052 -1.536 221 2HG MET 622 2HG MET 622 166.920 -10.123 -0.375 222 1HE MET 622 1HE MET 622 168.550 -13.456 -1.079 223 2HE MET 622 2HE MET 622 167.514 -14.160 0.163 224 3HE MET 622 3HE MET 622 169.245 -13.982 0.454 225 HA PRO 623 HA PRO 623 161.153 -11.235 -2.807 226 1HB PRO 623 1HB PRO 623 162.051 -10.900 -5.398 227 2HB PRO 623 2HB PRO 623 161.548 -9.586 -4.330 228 1HG PRO 623 1HG PRO 623 164.298 -10.576 -4.957 229 2HG PRO 623 2HG PRO 623 163.723 -8.909 -4.764 230 1HD PRO 623 1HD PRO 623 165.085 -10.153 -2.819 231 2HD PRO 623 2HD PRO 623 163.756 -9.034 -2.447 232 H LYS 624 H LYS 624 164.152 -12.728 -3.956 233 HA LYS 624 HA LYS 624 162.626 -14.993 -5.014 234 1HB LYS 624 1HB LYS 624 164.622 -15.643 -6.174 235 2HB LYS 624 2HB LYS 624 164.385 -13.921 -6.429 236 1HG LYS 624 1HG LYS 624 166.110 -14.698 -4.157 237 2HG LYS 624 2HG LYS 624 166.739 -14.993 -5.778 238 1HD LYS 624 1HD LYS 624 166.966 -12.790 -6.230 239 2HD LYS 624 2HD LYS 624 165.506 -12.350 -5.342 240 1HE LYS 624 1HE LYS 624 167.090 -11.428 -3.974 241 2HE LYS 624 2HE LYS 624 166.975 -13.039 -3.265 242 1HZ LYS 624 1HZ LYS 624 168.914 -13.710 -4.504 243 2HZ LYS 624 2HZ LYS 624 169.276 -12.328 -3.600 244 3HZ LYS 624 3HZ LYS 624 169.004 -12.201 -5.265 245 H GLU 625 H GLU 625 164.746 -14.085 -2.428 246 HA GLU 625 HA GLU 625 165.357 -15.157 -0.517 247 1HB GLU 625 1HB GLU 625 163.623 -17.466 -1.394 248 2HB GLU 625 2HB GLU 625 164.134 -17.067 0.241 249 1HG GLU 625 1HG GLU 625 162.474 -15.605 0.532 250 2HG GLU 625 2HG GLU 625 162.653 -14.929 -1.086 251 H SER 626 H SER 626 166.721 -16.905 0.251 252 HA SER 626 HA SER 626 168.399 -18.436 0.077 253 1HB SER 626 1HB SER 626 166.573 -19.502 -1.539 254 2HB SER 626 2HB SER 626 167.777 -19.098 -2.762 255 HG SER 626 HG SER 626 167.859 -21.245 -1.577 256 H GLY 627 H GLY 627 168.312 -15.596 -1.354 257 1HA GLY 627 1HA GLY 627 170.251 -15.627 -3.377 258 2HA GLY 627 2HA GLY 627 169.865 -14.242 -2.364 259 H ALA 628 H ALA 628 171.030 -13.924 -0.414 260 HA ALA 628 HA ALA 628 173.126 -15.648 0.405 261 1HB ALA 628 1HB ALA 628 173.987 -14.584 -1.770 262 2HB ALA 628 2HB ALA 628 175.045 -14.583 -0.359 263 3HB ALA 628 3HB ALA 628 174.172 -13.119 -0.808 264 H LEU 629 H LEU 629 173.009 -12.104 0.258 265 HA LEU 629 HA LEU 629 172.446 -12.042 3.132 266 1HB LEU 629 1HB LEU 629 174.414 -10.081 2.065 267 2HB LEU 629 2HB LEU 629 174.214 -10.681 3.693 268 HG LEU 629 HG LEU 629 176.289 -11.480 2.891 269 1HD1 LEU 629 1HD1 LEU 629 174.272 -13.206 3.715 270 2HD1 LEU 629 2HD1 LEU 629 176.016 -13.463 3.789 271 3HD1 LEU 629 3HD1 LEU 629 175.101 -14.033 2.395 272 1HD2 LEU 629 1HD2 LEU 629 176.623 -11.618 0.707 273 2HD2 LEU 629 2HD2 LEU 629 174.897 -11.719 0.377 274 3HD2 LEU 629 3HD2 LEU 629 175.808 -13.178 0.757 275 H LEU 630 H LEU 630 173.294 -9.486 0.816 276 HA LEU 630 HA LEU 630 170.546 -8.482 1.030 277 1HB LEU 630 1HB LEU 630 171.828 -6.139 0.850 278 2HB LEU 630 2HB LEU 630 171.365 -6.872 2.372 279 HG LEU 630 HG LEU 630 174.021 -7.599 1.332 280 1HD1 LEU 630 1HD1 LEU 630 173.955 -5.216 0.814 281 2HD1 LEU 630 2HD1 LEU 630 175.060 -5.552 2.147 282 3HD1 LEU 630 3HD1 LEU 630 173.466 -4.870 2.474 283 1HD2 LEU 630 1HD2 LEU 630 172.739 -7.095 3.975 284 2HD2 LEU 630 2HD2 LEU 630 174.497 -7.096 3.819 285 3HD2 LEU 630 3HD2 LEU 630 173.574 -8.535 3.389 286 H GLY 631 H GLY 631 173.634 -8.292 -0.814 287 1HA GLY 631 1HA GLY 631 172.556 -8.827 -3.258 288 2HA GLY 631 2HA GLY 631 172.265 -7.116 -3.067 289 H LEU 632 H LEU 632 175.215 -7.746 -1.549 290 HA LEU 632 HA LEU 632 176.801 -7.889 -3.941 291 1HB LEU 632 1HB LEU 632 177.770 -5.704 -3.914 292 2HB LEU 632 2HB LEU 632 176.033 -5.569 -4.048 293 HG LEU 632 HG LEU 632 176.858 -3.831 -2.615 294 1HD1 LEU 632 1HD1 LEU 632 175.164 -3.970 -1.187 295 2HD1 LEU 632 2HD1 LEU 632 175.759 -5.467 -0.474 296 3HD1 LEU 632 3HD1 LEU 632 174.813 -5.514 -1.961 297 1HD2 LEU 632 1HD2 LEU 632 178.378 -4.051 -0.978 298 2HD2 LEU 632 2HD2 LEU 632 178.830 -5.494 -1.886 299 3HD2 LEU 632 3HD2 LEU 632 177.777 -5.631 -0.477 300 H LYS 633 H LYS 633 179.078 -7.966 -3.595 301 HA LYS 633 HA LYS 633 179.767 -8.688 -0.827 302 1HB LYS 633 1HB LYS 633 180.083 -10.487 -2.464 303 2HB LYS 633 2HB LYS 633 181.111 -9.441 -3.433 304 1HG LYS 633 1HG LYS 633 182.899 -9.708 -2.077 305 2HG LYS 633 2HG LYS 633 181.915 -9.837 -0.620 306 1HD LYS 633 1HD LYS 633 182.867 -11.973 -0.948 307 2HD LYS 633 2HD LYS 633 181.188 -12.108 -1.476 308 1HE LYS 633 1HE LYS 633 182.085 -11.593 -3.818 309 2HE LYS 633 2HE LYS 633 183.677 -11.943 -3.148 310 1HZ LYS 633 1HZ LYS 633 181.929 -13.765 -4.175 311 2HZ LYS 633 2HZ LYS 633 181.756 -13.963 -2.505 312 3HZ LYS 633 3HZ LYS 633 183.281 -14.116 -3.219 313 H VAL 634 H VAL 634 181.262 -7.489 0.261 314 HA VAL 634 HA VAL 634 182.690 -5.448 -1.314 315 HB VAL 634 HB VAL 634 181.357 -5.240 1.358 316 1HG1 VAL 634 1HG1 VAL 634 182.538 -3.082 1.707 317 2HG1 VAL 634 2HG1 VAL 634 183.608 -3.491 0.366 318 3HG1 VAL 634 3HG1 VAL 634 183.603 -4.484 1.822 319 1HG2 VAL 634 1HG2 VAL 634 181.107 -2.885 -0.055 320 2HG2 VAL 634 2HG2 VAL 634 179.916 -4.182 0.043 321 3HG2 VAL 634 3HG2 VAL 634 181.059 -4.132 -1.302 322 H VAL 635 H VAL 635 184.689 -4.740 -0.584 323 HA VAL 635 HA VAL 635 186.184 -6.773 0.924 324 HB VAL 635 HB VAL 635 186.755 -5.232 -1.501 325 1HG1 VAL 635 1HG1 VAL 635 188.238 -3.997 -0.057 326 2HG1 VAL 635 2HG1 VAL 635 189.175 -5.063 -1.103 327 3HG1 VAL 635 3HG1 VAL 635 188.912 -5.496 0.585 328 1HG2 VAL 635 1HG2 VAL 635 187.771 -7.168 -2.165 329 2HG2 VAL 635 2HG2 VAL 635 186.620 -7.783 -0.977 330 3HG2 VAL 635 3HG2 VAL 635 188.315 -7.572 -0.536 331 H GLY 636 H GLY 636 187.969 -5.966 2.282 332 1HA GLY 636 1HA GLY 636 187.452 -3.240 3.301 333 2HA GLY 636 2HA GLY 636 187.641 -4.603 4.394 334 H GLY 637 H GLY 637 189.209 -2.181 4.319 335 1HA GLY 637 1HA GLY 637 191.416 -1.616 4.623 336 2HA GLY 637 2HA GLY 637 191.793 -3.329 4.536 337 H LYS 638 H LYS 638 190.716 -0.735 2.337 338 HA LYS 638 HA LYS 638 192.719 -1.699 0.402 339 1HB LYS 638 1HB LYS 638 190.003 -0.485 -0.126 340 2HB LYS 638 2HB LYS 638 191.205 -0.791 -1.370 341 1HG LYS 638 1HG LYS 638 189.998 -2.908 0.397 342 2HG LYS 638 2HG LYS 638 189.453 -2.527 -1.237 343 1HD LYS 638 1HD LYS 638 192.326 -2.981 -1.079 344 2HD LYS 638 2HD LYS 638 191.383 -4.377 -0.555 345 1HE LYS 638 1HE LYS 638 191.857 -4.482 -2.946 346 2HE LYS 638 2HE LYS 638 190.126 -4.320 -2.649 347 1HZ LYS 638 1HZ LYS 638 190.066 -2.288 -3.586 348 2HZ LYS 638 2HZ LYS 638 191.451 -2.827 -4.392 349 3HZ LYS 638 3HZ LYS 638 191.599 -1.842 -3.025 350 H MET 639 H MET 639 194.347 -0.299 1.005 351 HA MET 639 HA MET 639 194.076 2.418 1.582 352 1HB MET 639 1HB MET 639 196.114 0.810 1.836 353 2HB MET 639 2HB MET 639 196.519 1.345 0.211 354 1HG MET 639 1HG MET 639 197.561 3.066 1.124 355 2HG MET 639 2HG MET 639 195.984 3.686 1.609 356 1HE MET 639 1HE MET 639 195.181 4.028 3.507 357 2HE MET 639 2HE MET 639 196.460 4.656 4.546 358 3HE MET 639 3HE MET 639 195.508 3.264 5.063 359 H THR 640 H THR 640 193.168 3.881 0.298 360 HA THR 640 HA THR 640 193.243 3.640 -2.572 361 HB THR 640 HB THR 640 191.840 5.617 -2.588 362 HG1 THR 640 HG1 THR 640 192.275 5.770 0.207 363 1HG2 THR 640 1HG2 THR 640 190.007 4.591 -1.866 364 2HG2 THR 640 2HG2 THR 640 190.616 4.467 -0.216 365 3HG2 THR 640 3HG2 THR 640 191.080 3.264 -1.422 366 H ASP 641 H ASP 641 193.565 5.995 -3.667 367 HA ASP 641 HA ASP 641 196.370 6.459 -3.510 368 1HB ASP 641 1HB ASP 641 194.263 8.073 -4.961 369 2HB ASP 641 2HB ASP 641 195.998 8.123 -5.254 370 H LEU 642 H LEU 642 193.751 7.689 -1.743 371 HA LEU 642 HA LEU 642 194.847 10.300 -1.237 372 1HB LEU 642 1HB LEU 642 192.628 8.758 0.108 373 2HB LEU 642 2HB LEU 642 193.057 10.412 0.501 374 HG LEU 642 HG LEU 642 191.150 10.484 -0.924 375 1HD1 LEU 642 1HD1 LEU 642 193.597 11.123 -2.563 376 2HD1 LEU 642 2HD1 LEU 642 192.865 12.175 -1.352 377 3HD1 LEU 642 3HD1 LEU 642 191.975 11.764 -2.817 378 1HD2 LEU 642 1HD2 LEU 642 190.928 9.355 -2.978 379 2HD2 LEU 642 2HD2 LEU 642 191.582 8.160 -1.858 380 3HD2 LEU 642 3HD2 LEU 642 192.641 8.943 -3.030 381 H GLY 643 H GLY 643 194.905 7.154 0.310 382 1HA GLY 643 1HA GLY 643 196.911 6.648 1.624 383 2HA GLY 643 2HA GLY 643 196.783 8.262 2.303 384 H ARG 644 H ARG 644 193.832 6.556 1.874 385 HA ARG 644 HA ARG 644 193.838 5.750 4.704 386 1HB ARG 644 1HB ARG 644 191.751 7.327 3.213 387 2HB ARG 644 2HB ARG 644 191.361 6.423 4.670 388 1HG ARG 644 1HG ARG 644 193.334 7.747 5.711 389 2HG ARG 644 2HG ARG 644 193.085 8.838 4.347 390 1HD ARG 644 1HD ARG 644 191.180 9.660 5.203 391 2HD ARG 644 2HD ARG 644 190.623 8.075 5.734 392 HE ARG 644 HE ARG 644 192.586 8.647 7.496 393 1HH1 ARG 644 1HH1 ARG 644 189.782 10.418 6.409 394 2HH1 ARG 644 2HH1 ARG 644 189.577 11.260 7.908 395 1HH2 ARG 644 1HH2 ARG 644 192.318 9.755 9.469 396 2HH2 ARG 644 2HH2 ARG 644 191.017 10.885 9.645 397 H LEU 645 H LEU 645 192.263 4.091 5.240 398 HA LEU 645 HA LEU 645 191.983 2.187 3.048 399 1HB LEU 645 1HB LEU 645 191.708 1.928 6.036 400 2HB LEU 645 2HB LEU 645 191.304 0.628 4.930 401 HG LEU 645 HG LEU 645 194.033 1.897 5.174 402 1HD1 LEU 645 1HD1 LEU 645 192.907 0.293 7.026 403 2HD1 LEU 645 2HD1 LEU 645 194.634 0.324 6.668 404 3HD1 LEU 645 3HD1 LEU 645 193.605 -0.910 5.942 405 1HD2 LEU 645 1HD2 LEU 645 192.919 0.442 3.074 406 2HD2 LEU 645 2HD2 LEU 645 193.905 -0.719 3.961 407 3HD2 LEU 645 3HD2 LEU 645 194.629 0.769 3.353 408 H GLY 646 H GLY 646 190.012 1.094 2.610 409 1HA GLY 646 1HA GLY 646 187.563 2.094 3.806 410 2HA GLY 646 2HA GLY 646 187.798 2.532 2.121 411 H ALA 647 H ALA 647 185.960 1.354 1.504 412 HA ALA 647 HA ALA 647 186.434 -1.542 1.351 413 1HB ALA 647 1HB ALA 647 184.145 -0.164 2.588 414 2HB ALA 647 2HB ALA 647 184.814 -1.767 2.899 415 3HB ALA 647 3HB ALA 647 183.743 -1.512 1.522 416 H PHE 648 H PHE 648 185.792 -2.531 -0.518 417 HA PHE 648 HA PHE 648 184.512 -0.856 -2.573 418 1HB PHE 648 1HB PHE 648 187.032 -2.484 -2.782 419 2HB PHE 648 2HB PHE 648 186.047 -2.171 -4.207 420 HD1 PHE 648 HD1 PHE 648 185.894 0.039 -5.153 421 HD2 PHE 648 HD2 PHE 648 188.228 -0.694 -1.671 422 HE1 PHE 648 HE1 PHE 648 186.993 2.222 -5.436 423 HE2 PHE 648 HE2 PHE 648 189.331 1.489 -1.946 424 HZ PHE 648 HZ PHE 648 188.714 2.950 -3.831 425 H ILE 649 H ILE 649 183.128 -1.928 -3.993 426 HA ILE 649 HA ILE 649 182.107 -4.444 -3.009 427 HB ILE 649 HB ILE 649 181.214 -2.716 -5.326 428 1HG1 ILE 649 1HG1 ILE 649 179.643 -3.188 -2.819 429 2HG1 ILE 649 2HG1 ILE 649 180.957 -2.013 -2.805 430 1HG2 ILE 649 1HG2 ILE 649 179.907 -5.166 -4.154 431 2HG2 ILE 649 2HG2 ILE 649 180.627 -5.027 -5.757 432 3HG2 ILE 649 3HG2 ILE 649 179.183 -4.098 -5.356 433 1HD1 ILE 649 1HD1 ILE 649 178.459 -1.353 -3.382 434 2HD1 ILE 649 2HD1 ILE 649 178.980 -1.818 -5.000 435 3HD1 ILE 649 3HD1 ILE 649 179.839 -0.549 -4.128 436 H THR 650 H THR 650 182.843 -6.343 -3.649 437 HA THR 650 HA THR 650 184.573 -6.606 -5.921 438 HB THR 650 HB THR 650 184.925 -8.841 -5.216 439 HG1 THR 650 HG1 THR 650 182.830 -9.552 -4.959 440 1HG2 THR 650 1HG2 THR 650 184.885 -6.779 -3.199 441 2HG2 THR 650 2HG2 THR 650 186.060 -8.062 -3.484 442 3HG2 THR 650 3HG2 THR 650 184.627 -8.380 -2.507 443 H LYS 651 H LYS 651 181.212 -7.369 -5.219 444 HA LYS 651 HA LYS 651 180.578 -7.545 -7.982 445 1HB LYS 651 1HB LYS 651 179.990 -9.871 -8.166 446 2HB LYS 651 2HB LYS 651 181.671 -9.751 -7.668 447 1HG LYS 651 1HG LYS 651 180.528 -9.935 -5.260 448 2HG LYS 651 2HG LYS 651 179.329 -10.810 -6.214 449 1HD LYS 651 1HD LYS 651 182.288 -11.401 -6.093 450 2HD LYS 651 2HD LYS 651 181.007 -12.334 -5.317 451 1HE LYS 651 1HE LYS 651 181.002 -13.580 -7.169 452 2HE LYS 651 2HE LYS 651 180.186 -12.219 -7.940 453 1HZ LYS 651 1HZ LYS 651 181.914 -12.387 -9.350 454 2HZ LYS 651 2HZ LYS 651 182.925 -13.146 -8.226 455 3HZ LYS 651 3HZ LYS 651 182.721 -11.467 -8.181 456 H VAL 652 H VAL 652 178.333 -7.881 -8.398 457 HA VAL 652 HA VAL 652 176.611 -7.567 -6.022 458 HB VAL 652 HB VAL 652 175.212 -6.319 -8.056 459 1HG1 VAL 652 1HG1 VAL 652 175.229 -5.545 -5.801 460 2HG1 VAL 652 2HG1 VAL 652 175.770 -4.226 -6.839 461 3HG1 VAL 652 3HG1 VAL 652 176.945 -5.146 -5.894 462 1HG2 VAL 652 1HG2 VAL 652 176.598 -4.836 -9.214 463 2HG2 VAL 652 2HG2 VAL 652 177.427 -6.389 -9.328 464 3HG2 VAL 652 3HG2 VAL 652 177.982 -5.177 -8.173 465 H LYS 653 H LYS 653 174.810 -8.802 -5.941 466 HA LYS 653 HA LYS 653 174.438 -10.771 -8.048 467 1HB LYS 653 1HB LYS 653 174.021 -10.701 -5.229 468 2HB LYS 653 2HB LYS 653 172.472 -11.025 -5.994 469 1HG LYS 653 1HG LYS 653 174.833 -12.571 -6.915 470 2HG LYS 653 2HG LYS 653 174.135 -12.962 -5.343 471 1HD LYS 653 1HD LYS 653 172.739 -14.276 -6.508 472 2HD LYS 653 2HD LYS 653 171.910 -12.772 -6.916 473 1HE LYS 653 1HE LYS 653 173.870 -12.811 -8.790 474 2HE LYS 653 2HE LYS 653 173.568 -14.537 -8.584 475 1HZ LYS 653 1HZ LYS 653 171.236 -14.159 -9.041 476 2HZ LYS 653 2HZ LYS 653 172.178 -13.572 -10.317 477 3HZ LYS 653 3HZ LYS 653 171.501 -12.496 -9.201 478 H LYS 654 H LYS 654 173.308 -10.071 -9.753 479 HA LYS 654 HA LYS 654 171.430 -7.996 -9.750 480 1HB LYS 654 1HB LYS 654 172.695 -9.399 -11.681 481 2HB LYS 654 2HB LYS 654 171.092 -10.112 -11.789 482 1HG LYS 654 1HG LYS 654 170.312 -8.350 -12.879 483 2HG LYS 654 2HG LYS 654 170.896 -7.251 -11.630 484 1HD LYS 654 1HD LYS 654 173.075 -7.163 -12.661 485 2HD LYS 654 2HD LYS 654 172.602 -8.385 -13.843 486 1HE LYS 654 1HE LYS 654 172.493 -6.241 -14.900 487 2HE LYS 654 2HE LYS 654 170.845 -6.820 -14.657 488 1HZ LYS 654 1HZ LYS 654 170.576 -4.758 -13.831 489 2HZ LYS 654 2HZ LYS 654 172.212 -4.556 -13.455 490 3HZ LYS 654 3HZ LYS 654 171.210 -5.441 -12.419 491 H GLY 655 H GLY 655 169.604 -7.993 -8.605 492 1HA GLY 655 1HA GLY 655 167.268 -8.931 -8.889 493 2HA GLY 655 2HA GLY 655 168.014 -10.479 -8.518 494 H SER 656 H SER 656 169.828 -9.101 -6.557 495 HA SER 656 HA SER 656 168.146 -9.446 -4.272 496 1HB SER 656 1HB SER 656 170.870 -8.199 -4.126 497 2HB SER 656 2HB SER 656 170.091 -9.309 -2.997 498 HG SER 656 HG SER 656 170.374 -10.964 -4.528 499 H LEU 657 H LEU 657 168.475 -7.704 -2.440 500 HA LEU 657 HA LEU 657 166.996 -5.444 -3.211 501 1HB LEU 657 1HB LEU 657 168.652 -5.724 -0.712 502 2HB LEU 657 2HB LEU 657 167.266 -4.677 -0.950 503 HG LEU 657 HG LEU 657 166.278 -7.225 -1.476 504 1HD1 LEU 657 1HD1 LEU 657 168.284 -7.279 0.756 505 2HD1 LEU 657 2HD1 LEU 657 168.096 -8.406 -0.587 506 3HD1 LEU 657 3HD1 LEU 657 166.902 -8.374 0.710 507 1HD2 LEU 657 1HD2 LEU 657 166.091 -5.241 0.727 508 2HD2 LEU 657 2HD2 LEU 657 165.401 -6.844 0.989 509 3HD2 LEU 657 3HD2 LEU 657 164.841 -5.853 -0.358 510 H ALA 658 H ALA 658 170.405 -5.761 -2.298 511 HA ALA 658 HA ALA 658 171.245 -3.168 -2.398 512 1HB ALA 658 1HB ALA 658 172.529 -5.443 -2.036 513 2HB ALA 658 2HB ALA 658 173.380 -3.965 -2.486 514 3HB ALA 658 3HB ALA 658 172.998 -5.171 -3.714 515 H ASP 659 H ASP 659 170.574 -5.265 -5.134 516 HA ASP 659 HA ASP 659 171.609 -3.401 -7.060 517 1HB ASP 659 1HB ASP 659 170.988 -6.117 -7.069 518 2HB ASP 659 2HB ASP 659 169.814 -5.394 -8.164 519 H VAL 660 H VAL 660 168.360 -4.515 -6.174 520 HA VAL 660 HA VAL 660 167.058 -2.729 -7.973 521 HB VAL 660 HB VAL 660 164.997 -3.310 -6.502 522 1HG1 VAL 660 1HG1 VAL 660 164.558 -5.099 -7.889 523 2HG1 VAL 660 2HG1 VAL 660 166.220 -5.688 -7.833 524 3HG1 VAL 660 3HG1 VAL 660 165.824 -4.254 -8.781 525 1HG2 VAL 660 1HG2 VAL 660 165.212 -4.721 -4.790 526 2HG2 VAL 660 2HG2 VAL 660 166.946 -4.421 -4.884 527 3HG2 VAL 660 3HG2 VAL 660 166.246 -5.809 -5.716 528 H VAL 661 H VAL 661 167.532 -2.646 -4.432 529 HA VAL 661 HA VAL 661 166.326 0.007 -4.359 530 HB VAL 661 HB VAL 661 165.713 -1.598 -2.602 531 1HG1 VAL 661 1HG1 VAL 661 167.363 -2.953 -1.922 532 2HG1 VAL 661 2HG1 VAL 661 167.737 -1.653 -0.791 533 3HG1 VAL 661 3HG1 VAL 661 168.623 -1.783 -2.309 534 1HG2 VAL 661 1HG2 VAL 661 167.130 0.928 -1.824 535 2HG2 VAL 661 2HG2 VAL 661 166.301 -0.072 -0.632 536 3HG2 VAL 661 3HG2 VAL 661 165.398 0.630 -1.974 537 H GLY 662 H GLY 662 169.474 -1.494 -4.153 538 1HA GLY 662 1HA GLY 662 170.717 0.996 -3.271 539 2HA GLY 662 2HA GLY 662 171.532 -0.541 -3.517 540 H HIS 663 H HIS 663 170.910 -1.193 -6.063 541 HA HIS 663 HA HIS 663 171.504 -0.854 -8.224 542 1HB HIS 663 1HB HIS 663 169.837 1.165 -7.674 543 2HB HIS 663 2HB HIS 663 171.288 2.103 -8.016 544 HD1 HIS 663 HD1 HIS 663 170.688 3.044 -10.263 545 HD2 HIS 663 HD2 HIS 663 170.167 -1.074 -10.066 546 HE1 HIS 663 HE1 HIS 663 170.190 2.317 -12.618 547 HE2 HIS 663 HE2 HIS 663 169.798 -0.167 -12.461 548 H LEU 664 H LEU 664 173.687 -1.420 -7.125 549 HA LEU 664 HA LEU 664 175.594 0.626 -7.996 550 1HB LEU 664 1HB LEU 664 177.087 -0.335 -6.068 551 2HB LEU 664 2HB LEU 664 175.952 0.962 -5.766 552 HG LEU 664 HG LEU 664 175.984 -0.781 -4.002 553 1HD1 LEU 664 1HD1 LEU 664 173.286 -0.970 -5.204 554 2HD1 LEU 664 2HD1 LEU 664 173.921 0.638 -4.863 555 3HD1 LEU 664 3HD1 LEU 664 173.773 -0.545 -3.563 556 1HD2 LEU 664 1HD2 LEU 664 176.213 -2.587 -5.930 557 2HD2 LEU 664 2HD2 LEU 664 174.459 -2.627 -5.744 558 3HD2 LEU 664 3HD2 LEU 664 175.501 -2.966 -4.360 559 H ARG 665 H ARG 665 177.875 -0.442 -8.112 560 HA ARG 665 HA ARG 665 177.653 -3.219 -9.006 561 1HB ARG 665 1HB ARG 665 178.686 -0.925 -10.669 562 2HB ARG 665 2HB ARG 665 179.022 -2.610 -11.043 563 1HG ARG 665 1HG ARG 665 176.208 -1.647 -10.717 564 2HG ARG 665 2HG ARG 665 177.074 -1.433 -12.239 565 1HD ARG 665 1HD ARG 665 177.131 -4.125 -10.999 566 2HD ARG 665 2HD ARG 665 175.608 -3.595 -11.712 567 HE ARG 665 HE ARG 665 178.010 -4.330 -13.102 568 1HH1 ARG 665 1HH1 ARG 665 175.075 -2.451 -13.283 569 2HH1 ARG 665 2HH1 ARG 665 175.034 -2.450 -15.014 570 1HH2 ARG 665 1HH2 ARG 665 177.959 -4.329 -15.378 571 2HH2 ARG 665 2HH2 ARG 665 176.671 -3.516 -16.205 572 H ALA 666 H ALA 666 179.738 -4.268 -9.339 573 HA ALA 666 HA ALA 666 181.461 -3.957 -7.186 574 1HB ALA 666 1HB ALA 666 181.144 -5.919 -8.876 575 2HB ALA 666 2HB ALA 666 182.701 -5.677 -8.082 576 3HB ALA 666 3HB ALA 666 182.464 -5.128 -9.740 577 H GLY 667 H GLY 667 182.983 -2.522 -6.731 578 1HA GLY 667 1HA GLY 667 185.101 -1.520 -7.654 579 2HA GLY 667 2HA GLY 667 184.083 -0.916 -8.954 580 H ASP 668 H ASP 668 181.889 -0.490 -6.915 581 HA ASP 668 HA ASP 668 182.432 2.244 -6.386 582 1HB ASP 668 1HB ASP 668 180.221 0.349 -5.862 583 2HB ASP 668 2HB ASP 668 180.334 1.711 -4.751 584 H GLU 669 H GLU 669 182.959 3.291 -4.490 585 HA GLU 669 HA GLU 669 184.130 1.571 -2.423 586 1HB GLU 669 1HB GLU 669 185.455 3.408 -3.668 587 2HB GLU 669 2HB GLU 669 184.567 4.536 -2.653 588 1HG GLU 669 1HG GLU 669 185.419 3.057 -0.703 589 2HG GLU 669 2HG GLU 669 186.608 2.502 -1.879 590 H VAL 670 H VAL 670 182.896 1.219 -0.705 591 HA VAL 670 HA VAL 670 180.880 3.186 0.056 592 HB VAL 670 HB VAL 670 181.357 0.343 0.955 593 1HG1 VAL 670 1HG1 VAL 670 180.542 1.183 2.928 594 2HG1 VAL 670 2HG1 VAL 670 179.032 0.814 2.096 595 3HG1 VAL 670 3HG1 VAL 670 179.634 2.472 2.136 596 1HG2 VAL 670 1HG2 VAL 670 180.247 0.915 -1.284 597 2HG2 VAL 670 2HG2 VAL 670 178.884 1.478 -0.313 598 3HG2 VAL 670 3HG2 VAL 670 179.405 -0.205 -0.212 599 H LEU 671 H LEU 671 181.780 4.799 1.211 600 HA LEU 671 HA LEU 671 183.858 4.284 3.147 601 1HB LEU 671 1HB LEU 671 182.363 6.858 2.676 602 2HB LEU 671 2HB LEU 671 183.897 6.663 3.499 603 HG LEU 671 HG LEU 671 184.570 7.485 1.456 604 1HD1 LEU 671 1HD1 LEU 671 184.579 4.705 0.451 605 2HD1 LEU 671 2HD1 LEU 671 185.342 4.994 2.015 606 3HD1 LEU 671 3HD1 LEU 671 185.896 5.870 0.589 607 1HD2 LEU 671 1HD2 LEU 671 182.848 5.717 -0.201 608 2HD2 LEU 671 2HD2 LEU 671 183.454 7.339 -0.532 609 3HD2 LEU 671 3HD2 LEU 671 182.114 7.110 0.592 610 H GLU 672 H GLU 672 180.647 3.741 3.268 611 HA GLU 672 HA GLU 672 180.620 3.998 6.170 612 1HB GLU 672 1HB GLU 672 178.551 5.220 4.351 613 2HB GLU 672 2HB GLU 672 178.305 4.971 6.073 614 1HG GLU 672 1HG GLU 672 180.662 6.305 6.074 615 2HG GLU 672 2HG GLU 672 179.872 7.005 4.661 616 H TRP 673 H TRP 673 179.854 2.212 7.071 617 HA TRP 673 HA TRP 673 177.908 0.572 5.590 618 1HB TRP 673 1HB TRP 673 180.304 -0.334 5.530 619 2HB TRP 673 2HB TRP 673 180.119 -0.627 7.255 620 HD1 TRP 673 HD1 TRP 673 178.005 -2.350 7.913 621 HE1 TRP 673 HE1 TRP 673 177.220 -4.455 6.657 622 HE3 TRP 673 HE3 TRP 673 180.092 -1.394 3.352 623 HZ2 TRP 673 HZ2 TRP 673 177.465 -5.565 4.065 624 HZ3 TRP 673 HZ3 TRP 673 179.770 -3.023 1.547 625 HH2 TRP 673 HH2 TRP 673 178.489 -5.076 1.899 626 H ASN 674 H ASN 674 176.100 0.502 6.754 627 HA ASN 674 HA ASN 674 174.663 0.302 8.505 628 1HB ASN 674 1HB ASN 674 176.277 -1.597 9.105 629 2HB ASN 674 2HB ASN 674 176.994 -0.472 10.255 630 1HD2 ASN 674 1HD2 ASN 674 173.827 -1.739 9.285 631 2HD2 ASN 674 2HD2 ASN 674 173.191 -1.851 10.887 632 H GLY 675 H GLY 675 175.885 2.777 7.900 633 1HA GLY 675 1HA GLY 675 175.831 4.915 8.734 634 2HA GLY 675 2HA GLY 675 175.132 4.257 10.203 635 H LYS 676 H LYS 676 178.175 2.922 9.252 636 HA LYS 676 HA LYS 676 179.459 4.505 11.380 637 1HB LYS 676 1HB LYS 676 180.265 2.594 12.210 638 2HB LYS 676 2HB LYS 676 179.278 1.728 11.045 639 1HG LYS 676 1HG LYS 676 181.092 0.952 10.031 640 2HG LYS 676 2HG LYS 676 181.711 2.582 9.763 641 1HD LYS 676 1HD LYS 676 183.280 1.192 11.046 642 2HD LYS 676 2HD LYS 676 182.720 2.582 11.975 643 1HE LYS 676 1HE LYS 676 181.090 0.166 12.296 644 2HE LYS 676 2HE LYS 676 182.750 0.006 12.868 645 1HZ LYS 676 1HZ LYS 676 180.663 1.148 14.222 646 2HZ LYS 676 2HZ LYS 676 181.579 2.470 13.700 647 3HZ LYS 676 3HZ LYS 676 182.301 1.256 14.630 648 HA PRO 677 HA PRO 677 182.313 5.906 8.303 649 1HB PRO 677 1HB PRO 677 184.250 6.910 9.848 650 2HB PRO 677 2HB PRO 677 182.633 7.626 9.837 651 1HG PRO 677 1HG PRO 677 183.918 5.874 11.872 652 2HG PRO 677 2HG PRO 677 182.759 7.194 12.095 653 1HD PRO 677 1HD PRO 677 182.172 4.441 12.056 654 2HD PRO 677 2HD PRO 677 181.000 5.769 11.975 655 H LEU 678 H LEU 678 183.443 4.553 7.084 656 HA LEU 678 HA LEU 678 185.125 2.509 8.261 657 1HB LEU 678 1HB LEU 678 184.503 3.025 5.358 658 2HB LEU 678 2HB LEU 678 185.277 1.596 6.019 659 HG LEU 678 HG LEU 678 182.445 2.453 6.619 660 1HD1 LEU 678 1HD1 LEU 678 182.098 1.693 4.531 661 2HD1 LEU 678 2HD1 LEU 678 182.230 0.111 5.301 662 3HD1 LEU 678 3HD1 LEU 678 183.626 0.811 4.482 663 1HD2 LEU 678 1HD2 LEU 678 182.197 0.449 7.812 664 2HD2 LEU 678 2HD2 LEU 678 183.739 1.110 8.359 665 3HD2 LEU 678 3HD2 LEU 678 183.713 -0.213 7.191 666 HA PRO 679 HA PRO 679 188.114 5.312 5.286 667 1HB PRO 679 1HB PRO 679 187.263 7.664 6.942 668 2HB PRO 679 2HB PRO 679 187.923 7.629 5.301 669 1HG PRO 679 1HG PRO 679 185.311 7.924 5.691 670 2HG PRO 679 2HG PRO 679 185.921 6.914 4.368 671 1HD PRO 679 1HD PRO 679 184.651 6.116 6.926 672 2HD PRO 679 2HD PRO 679 184.662 5.279 5.362 673 H GLY 680 H GLY 680 189.821 4.354 6.214 674 1HA GLY 680 1HA GLY 680 191.753 4.786 7.620 675 2HA GLY 680 2HA GLY 680 190.650 5.333 8.872 676 H ALA 681 H ALA 681 189.004 2.825 7.830 677 HA ALA 681 HA ALA 681 190.118 1.046 9.848 678 1HB ALA 681 1HB ALA 681 187.979 0.608 10.232 679 2HB ALA 681 2HB ALA 681 187.840 -0.104 8.624 680 3HB ALA 681 3HB ALA 681 187.507 1.611 8.862 681 H THR 682 H THR 682 191.134 -0.824 9.443 682 HA THR 682 HA THR 682 191.806 -1.429 6.686 683 HB THR 682 HB THR 682 193.664 -1.461 8.157 684 HG1 THR 682 HG1 THR 682 194.122 -3.151 6.980 685 1HG2 THR 682 1HG2 THR 682 193.673 -3.214 10.051 686 2HG2 THR 682 2HG2 THR 682 191.919 -3.054 9.969 687 3HG2 THR 682 3HG2 THR 682 192.918 -1.642 10.317 688 H ASN 683 H ASN 683 192.139 -4.026 6.480 689 HA ASN 683 HA ASN 683 189.751 -5.113 5.797 690 1HB ASN 683 1HB ASN 683 192.313 -6.402 6.688 691 2HB ASN 683 2HB ASN 683 190.923 -7.386 6.244 692 1HD2 ASN 683 1HD2 ASN 683 193.187 -4.966 5.093 693 2HD2 ASN 683 2HD2 ASN 683 193.024 -5.345 3.415 694 H GLU 684 H GLU 684 191.427 -5.928 8.845 695 HA GLU 684 HA GLU 684 189.388 -7.473 9.918 696 1HB GLU 684 1HB GLU 684 190.464 -7.083 12.108 697 2HB GLU 684 2HB GLU 684 191.619 -7.505 10.851 698 1HG GLU 684 1HG GLU 684 191.981 -4.993 10.588 699 2HG GLU 684 2HG GLU 684 191.135 -4.840 12.128 700 H GLU 685 H GLU 685 189.820 -3.974 10.068 701 HA GLU 685 HA GLU 685 187.856 -3.480 12.023 702 1HB GLU 685 1HB GLU 685 189.449 -1.927 10.190 703 2HB GLU 685 2HB GLU 685 187.792 -1.344 10.184 704 1HG GLU 685 1HG GLU 685 188.182 -0.237 12.050 705 2HG GLU 685 2HG GLU 685 188.501 -1.759 12.878 706 H VAL 686 H VAL 686 187.623 -3.108 8.500 707 HA VAL 686 HA VAL 686 184.953 -2.695 8.196 708 HB VAL 686 HB VAL 686 186.776 -4.325 6.435 709 1HG1 VAL 686 1HG1 VAL 686 183.915 -3.731 6.225 710 2HG1 VAL 686 2HG1 VAL 686 184.876 -4.988 5.443 711 3HG1 VAL 686 3HG1 VAL 686 184.853 -3.353 4.778 712 1HG2 VAL 686 1HG2 VAL 686 185.837 -1.629 5.675 713 2HG2 VAL 686 2HG2 VAL 686 187.407 -2.393 5.437 714 3HG2 VAL 686 3HG2 VAL 686 186.987 -1.714 7.010 715 H TYR 687 H TYR 687 186.557 -5.865 8.407 716 HA TYR 687 HA TYR 687 184.348 -7.483 7.995 717 1HB TYR 687 1HB TYR 687 186.914 -7.813 9.480 718 2HB TYR 687 2HB TYR 687 185.661 -9.025 9.719 719 HD1 TYR 687 HD1 TYR 687 185.831 -10.902 8.404 720 HD2 TYR 687 HD2 TYR 687 187.216 -7.199 6.839 721 HE1 TYR 687 HE1 TYR 687 186.565 -12.048 6.357 722 HE2 TYR 687 HE2 TYR 687 187.953 -8.334 4.785 723 HH TYR 687 HH TYR 687 188.569 -10.552 4.029 724 H ASN 688 H ASN 688 185.403 -5.880 10.946 725 HA ASN 688 HA ASN 688 183.576 -7.145 12.692 726 1HB ASN 688 1HB ASN 688 185.226 -4.651 12.815 727 2HB ASN 688 2HB ASN 688 183.980 -4.915 14.030 728 1HD2 ASN 688 1HD2 ASN 688 186.390 -6.948 12.394 729 2HD2 ASN 688 2HD2 ASN 688 187.043 -7.630 13.840 730 H ILE 689 H ILE 689 183.358 -4.269 10.670 731 HA ILE 689 HA ILE 689 180.905 -3.321 11.728 732 HB ILE 689 HB ILE 689 182.193 -2.837 9.040 733 1HG1 ILE 689 1HG1 ILE 689 182.363 -0.497 10.324 734 2HG1 ILE 689 2HG1 ILE 689 182.348 -1.564 11.723 735 1HG2 ILE 689 1HG2 ILE 689 179.668 -1.782 10.240 736 2HG2 ILE 689 2HG2 ILE 689 179.997 -2.295 8.585 737 3HG2 ILE 689 3HG2 ILE 689 180.628 -0.757 9.173 738 1HD1 ILE 689 1HD1 ILE 689 184.506 -1.914 11.439 739 2HD1 ILE 689 2HD1 ILE 689 184.498 -0.923 9.981 740 3HD1 ILE 689 3HD1 ILE 689 184.167 -2.650 9.875 741 H ILE 690 H ILE 690 181.526 -4.834 8.549 742 HA ILE 690 HA ILE 690 178.911 -5.271 7.815 743 HB ILE 690 HB ILE 690 181.422 -6.783 7.162 744 1HG1 ILE 690 1HG1 ILE 690 180.075 -5.646 4.927 745 2HG1 ILE 690 2HG1 ILE 690 180.091 -4.446 6.213 746 1HG2 ILE 690 1HG2 ILE 690 179.855 -7.697 5.240 747 2HG2 ILE 690 2HG2 ILE 690 178.617 -7.506 6.481 748 3HG2 ILE 690 3HG2 ILE 690 180.009 -8.545 6.779 749 1HD1 ILE 690 1HD1 ILE 690 182.112 -3.911 5.535 750 2HD1 ILE 690 2HD1 ILE 690 182.212 -5.327 4.488 751 3HD1 ILE 690 3HD1 ILE 690 182.660 -5.453 6.192 752 H LEU 691 H LEU 691 181.019 -7.722 9.366 753 HA LEU 691 HA LEU 691 179.177 -9.724 9.709 754 1HB LEU 691 1HB LEU 691 181.539 -8.843 11.299 755 2HB LEU 691 2HB LEU 691 180.507 -10.098 11.954 756 HG LEU 691 HG LEU 691 181.096 -11.629 10.334 757 1HD1 LEU 691 1HD1 LEU 691 182.064 -11.086 8.166 758 2HD1 LEU 691 2HD1 LEU 691 182.060 -9.373 8.582 759 3HD1 LEU 691 3HD1 LEU 691 180.534 -10.239 8.400 760 1HD2 LEU 691 1HD2 LEU 691 183.021 -11.033 11.758 761 2HD2 LEU 691 2HD2 LEU 691 183.554 -9.897 10.518 762 3HD2 LEU 691 3HD2 LEU 691 183.504 -11.625 10.168 763 H GLU 692 H GLU 692 179.783 -7.020 11.896 764 HA GLU 692 HA GLU 692 177.804 -7.728 13.794 765 1HB GLU 692 1HB GLU 692 179.330 -5.226 13.176 766 2HB GLU 692 2HB GLU 692 177.992 -5.168 14.315 767 1HG GLU 692 1HG GLU 692 179.200 -7.151 15.458 768 2HG GLU 692 2HG GLU 692 180.601 -6.603 14.539 769 H SER 693 H SER 693 177.676 -6.146 10.726 770 HA SER 693 HA SER 693 175.002 -5.093 11.208 771 1HB SER 693 1HB SER 693 176.652 -4.905 8.682 772 2HB SER 693 2HB SER 693 175.232 -3.948 9.104 773 HG SER 693 HG SER 693 177.762 -3.912 10.388 774 H LYS 694 H LYS 694 176.463 -7.897 9.884 775 HA LYS 694 HA LYS 694 174.507 -8.510 7.919 776 1HB LYS 694 1HB LYS 694 175.478 -10.685 7.817 777 2HB LYS 694 2HB LYS 694 176.789 -9.541 8.055 778 1HG LYS 694 1HG LYS 694 177.433 -10.554 9.916 779 2HG LYS 694 2HG LYS 694 175.801 -10.507 10.586 780 1HD LYS 694 1HD LYS 694 175.481 -12.670 10.145 781 2HD LYS 694 2HD LYS 694 176.016 -12.473 8.474 782 1HE LYS 694 1HE LYS 694 177.435 -14.066 9.635 783 2HE LYS 694 2HE LYS 694 178.350 -12.618 9.215 784 1HZ LYS 694 1HZ LYS 694 178.461 -13.681 11.604 785 2HZ LYS 694 2HZ LYS 694 177.097 -12.715 11.854 786 3HZ LYS 694 3HZ LYS 694 178.556 -12.006 11.377 787 H SER 695 H SER 695 174.365 -8.494 11.298 788 HA SER 695 HA SER 695 172.179 -10.449 11.358 789 1HB SER 695 1HB SER 695 174.011 -10.725 13.009 790 2HB SER 695 2HB SER 695 173.622 -9.138 13.673 791 HG SER 695 HG SER 695 171.603 -9.925 14.275 792 H GLU 696 H GLU 696 172.760 -7.089 11.322 793 HA GLU 696 HA GLU 696 170.542 -6.214 12.858 794 1HB GLU 696 1HB GLU 696 172.218 -4.892 10.729 795 2HB GLU 696 2HB GLU 696 170.880 -4.066 11.518 796 1HG GLU 696 1HG GLU 696 172.235 -4.960 13.671 797 2HG GLU 696 2HG GLU 696 173.558 -4.731 12.527 798 HA PRO 697 HA PRO 697 167.213 -6.888 10.046 799 1HB PRO 697 1HB PRO 697 165.490 -4.950 10.796 800 2HB PRO 697 2HB PRO 697 165.835 -6.354 11.812 801 1HG PRO 697 1HG PRO 697 166.937 -3.575 11.982 802 2HG PRO 697 2HG PRO 697 166.372 -4.635 13.286 803 1HD PRO 697 1HD PRO 697 169.003 -4.309 12.679 804 2HD PRO 697 2HD PRO 697 168.346 -5.815 13.352 805 H GLN 698 H GLN 698 169.039 -3.993 9.982 806 HA GLN 698 HA GLN 698 168.357 -3.567 7.210 807 1HB GLN 698 1HB GLN 698 166.587 -2.319 8.459 808 2HB GLN 698 2HB GLN 698 167.848 -1.342 9.197 809 1HG GLN 698 1HG GLN 698 168.493 -0.918 6.669 810 2HG GLN 698 2HG GLN 698 166.793 -1.312 6.426 811 1HE2 GLN 698 1HE2 GLN 698 165.815 0.557 6.068 812 2HE2 GLN 698 2HE2 GLN 698 165.936 1.966 7.060 813 H VAL 699 H VAL 699 169.836 -2.217 6.118 814 HA VAL 699 HA VAL 699 172.200 -1.407 7.671 815 HB VAL 699 HB VAL 699 172.168 -2.927 5.062 816 1HG1 VAL 699 1HG1 VAL 699 174.615 -2.721 5.059 817 2HG1 VAL 699 2HG1 VAL 699 174.519 -1.636 6.446 818 3HG1 VAL 699 3HG1 VAL 699 173.826 -1.150 4.897 819 1HG2 VAL 699 1HG2 VAL 699 172.034 -4.013 7.448 820 2HG2 VAL 699 2HG2 VAL 699 173.767 -3.687 7.457 821 3HG2 VAL 699 3HG2 VAL 699 173.067 -4.704 6.197 822 H GLU 700 H GLU 700 173.348 0.353 6.896 823 HA GLU 700 HA GLU 700 172.144 1.855 4.671 824 1HB GLU 700 1HB GLU 700 171.393 2.876 6.762 825 2HB GLU 700 2HB GLU 700 173.053 2.973 7.334 826 1HG GLU 700 1HG GLU 700 173.551 4.482 5.416 827 2HG GLU 700 2HG GLU 700 171.829 4.481 5.039 828 H ILE 701 H ILE 701 173.666 1.839 3.122 829 HA ILE 701 HA ILE 701 176.457 2.264 3.960 830 HB ILE 701 HB ILE 701 176.886 1.164 1.596 831 1HG1 ILE 701 1HG1 ILE 701 174.217 0.024 2.455 832 2HG1 ILE 701 2HG1 ILE 701 174.568 0.876 0.956 833 1HG2 ILE 701 1HG2 ILE 701 177.086 -1.029 2.769 834 2HG2 ILE 701 2HG2 ILE 701 176.269 -0.301 4.152 835 3HG2 ILE 701 3HG2 ILE 701 177.829 0.327 3.620 836 1HD1 ILE 701 1HD1 ILE 701 175.912 -1.704 1.678 837 2HD1 ILE 701 2HD1 ILE 701 175.796 -0.927 0.098 838 3HD1 ILE 701 3HD1 ILE 701 174.361 -1.646 0.836 839 H ILE 702 H ILE 702 177.640 3.801 3.028 840 HA ILE 702 HA ILE 702 176.359 5.424 0.926 841 HB ILE 702 HB ILE 702 178.451 6.450 2.830 842 1HG1 ILE 702 1HG1 ILE 702 176.660 5.708 4.259 843 2HG1 ILE 702 2HG1 ILE 702 176.559 7.461 4.127 844 1HG2 ILE 702 1HG2 ILE 702 176.325 8.134 1.631 845 2HG2 ILE 702 2HG2 ILE 702 177.610 7.550 0.573 846 3HG2 ILE 702 3HG2 ILE 702 178.008 8.518 1.992 847 1HD1 ILE 702 1HD1 ILE 702 174.664 7.361 2.770 848 2HD1 ILE 702 2HD1 ILE 702 174.395 6.126 3.999 849 3HD1 ILE 702 3HD1 ILE 702 174.919 5.660 2.381 850 H VAL 703 H VAL 703 177.605 6.099 -0.819 851 HA VAL 703 HA VAL 703 180.336 5.000 -0.957 852 HB VAL 703 HB VAL 703 179.893 4.622 -3.425 853 1HG1 VAL 703 1HG1 VAL 703 178.290 2.929 -1.516 854 2HG1 VAL 703 2HG1 VAL 703 180.039 2.833 -1.722 855 3HG1 VAL 703 3HG1 VAL 703 178.969 2.431 -3.066 856 1HG2 VAL 703 1HG2 VAL 703 177.911 5.864 -3.792 857 2HG2 VAL 703 2HG2 VAL 703 177.072 5.054 -2.469 858 3HG2 VAL 703 3HG2 VAL 703 177.460 4.166 -3.942 859 H SER 704 H SER 704 181.388 5.899 -3.109 860 HA SER 704 HA SER 704 180.686 8.662 -3.642 861 1HB SER 704 1HB SER 704 182.670 9.660 -2.858 862 2HB SER 704 2HB SER 704 182.208 8.559 -1.559 863 HG SER 704 HG SER 704 184.393 8.301 -2.013 864 H ARG 705 H ARG 705 180.905 8.973 -5.752 865 HA ARG 705 HA ARG 705 183.023 7.508 -7.180 866 1HB ARG 705 1HB ARG 705 180.582 6.688 -7.502 867 2HB ARG 705 2HB ARG 705 180.383 8.145 -8.465 868 1HG ARG 705 1HG ARG 705 180.956 6.691 -10.108 869 2HG ARG 705 2HG ARG 705 182.569 7.235 -9.640 870 1HD ARG 705 1HD ARG 705 182.454 5.240 -7.970 871 2HD ARG 705 2HD ARG 705 181.191 4.649 -9.048 872 HE ARG 705 HE ARG 705 182.794 4.160 -10.612 873 1HH1 ARG 705 1HH1 ARG 705 184.187 6.213 -8.157 874 2HH1 ARG 705 2HH1 ARG 705 185.805 6.030 -8.745 875 1HH2 ARG 705 1HH2 ARG 705 184.923 3.918 -11.386 876 2HH2 ARG 705 2HH2 ARG 705 186.223 4.727 -10.578 877 H GLU 943 H GLU 943 190.196 -11.737 -5.951 878 HA GLU 943 HA GLU 943 190.010 -11.439 -3.690 879 1HB GLU 943 1HB GLU 943 191.175 -9.671 -5.195 880 2HB GLU 943 2HB GLU 943 189.833 -8.629 -4.743 881 1HG GLU 943 1HG GLU 943 191.053 -8.046 -2.985 882 2HG GLU 943 2HG GLU 943 190.683 -9.641 -2.329 883 H GLU 944 H GLU 944 188.761 -11.131 -1.932 884 HA GLU 944 HA GLU 944 186.432 -9.405 -2.049 885 1HB GLU 944 1HB GLU 944 184.857 -11.126 -1.381 886 2HB GLU 944 2HB GLU 944 185.606 -11.563 -2.910 887 1HG GLU 944 1HG GLU 944 187.020 -12.616 -0.592 888 2HG GLU 944 2HG GLU 944 185.356 -13.183 -0.717 889 H GLY 945 H GLY 945 185.221 -9.601 0.181 890 1HA GLY 945 1HA GLY 945 187.182 -10.055 2.324 891 2HA GLY 945 2HA GLY 945 186.381 -8.497 2.204 892 H ILE 946 H ILE 946 183.831 -8.882 1.897 893 HA ILE 946 HA ILE 946 182.966 -10.927 3.820 894 HB ILE 946 HB ILE 946 181.369 -8.561 4.175 895 1HG1 ILE 946 1HG1 ILE 946 183.541 -7.457 3.477 896 2HG1 ILE 946 2HG1 ILE 946 182.928 -7.010 5.061 897 1HG2 ILE 946 1HG2 ILE 946 181.936 -8.908 6.524 898 2HG2 ILE 946 2HG2 ILE 946 183.203 -10.046 6.061 899 3HG2 ILE 946 3HG2 ILE 946 181.510 -10.431 5.740 900 1HD1 ILE 946 1HD1 ILE 946 184.734 -7.759 6.091 901 2HD1 ILE 946 2HD1 ILE 946 185.478 -7.804 4.491 902 3HD1 ILE 946 3HD1 ILE 946 184.745 -9.261 5.167 903 H TRP 947 H TRP 947 180.921 -11.730 3.530 904 HA TRP 947 HA TRP 947 179.721 -11.259 0.936 905 1HB TRP 947 1HB TRP 947 179.679 -13.374 2.931 906 2HB TRP 947 2HB TRP 947 178.062 -12.995 2.348 907 HD1 TRP 947 HD1 TRP 947 180.304 -15.534 1.689 908 HE1 TRP 947 HE1 TRP 947 180.389 -16.271 -0.776 909 HE3 TRP 947 HE3 TRP 947 178.134 -11.433 -0.466 910 HZ2 TRP 947 HZ2 TRP 947 179.635 -15.249 -3.297 911 HZ3 TRP 947 HZ3 TRP 947 177.853 -11.393 -2.909 912 HH2 TRP 947 HH2 TRP 947 178.590 -13.264 -4.294 913 H ALA 948 H ALA 948 178.160 -9.810 0.601 914 HA ALA 948 HA ALA 948 176.167 -9.325 2.652 915 1HB ALA 948 1HB ALA 948 177.981 -7.754 3.208 916 2HB ALA 948 2HB ALA 948 176.502 -6.927 2.722 917 3HB ALA 948 3HB ALA 948 177.851 -7.057 1.593 Start of MODEL 20 1 H HIS 597 H HIS 597 162.630 3.221 -0.547 2 HA HIS 597 HA HIS 597 164.203 1.139 -1.753 3 1HB HIS 597 1HB HIS 597 161.570 1.822 -1.617 4 2HB HIS 597 2HB HIS 597 162.010 2.519 -3.172 5 HD1 HIS 597 HD1 HIS 597 160.849 -0.537 -1.722 6 HD2 HIS 597 HD2 HIS 597 163.362 0.452 -4.880 7 HE1 HIS 597 HE1 HIS 597 160.963 -2.595 -3.161 8 HE2 HIS 597 HE2 HIS 597 162.416 -1.943 -5.113 9 HA PRO 598 HA PRO 598 164.996 4.597 -4.942 10 1HB PRO 598 1HB PRO 598 164.161 7.098 -4.522 11 2HB PRO 598 2HB PRO 598 163.045 5.847 -5.084 12 1HG PRO 598 1HG PRO 598 163.408 6.968 -2.337 13 2HG PRO 598 2HG PRO 598 161.911 6.538 -3.184 14 1HD PRO 598 1HD PRO 598 163.190 4.947 -1.313 15 2HD PRO 598 2HD PRO 598 162.043 4.358 -2.530 16 H VAL 599 H VAL 599 167.068 5.181 -5.028 17 HA VAL 599 HA VAL 599 168.327 6.307 -2.640 18 HB VAL 599 HB VAL 599 169.351 4.789 -5.003 19 1HG1 VAL 599 1HG1 VAL 599 171.685 5.357 -4.309 20 2HG1 VAL 599 2HG1 VAL 599 171.017 6.655 -3.320 21 3HG1 VAL 599 3HG1 VAL 599 170.810 6.685 -5.072 22 1HG2 VAL 599 1HG2 VAL 599 170.526 3.544 -3.249 23 2HG2 VAL 599 2HG2 VAL 599 168.789 3.613 -2.951 24 3HG2 VAL 599 3HG2 VAL 599 169.882 4.655 -2.040 25 H THR 600 H THR 600 169.706 8.126 -2.756 26 HA THR 600 HA THR 600 169.264 9.857 -5.098 27 HB THR 600 HB THR 600 169.488 11.723 -3.229 28 HG1 THR 600 HG1 THR 600 168.328 9.550 -1.824 29 1HG2 THR 600 1HG2 THR 600 167.090 11.864 -3.031 30 2HG2 THR 600 2HG2 THR 600 166.921 10.205 -3.605 31 3HG2 THR 600 3HG2 THR 600 167.539 11.454 -4.686 32 H TRP 601 H TRP 601 170.931 11.312 -5.622 33 HA TRP 601 HA TRP 601 173.485 10.908 -4.224 34 1HB TRP 601 1HB TRP 601 173.156 10.934 -7.231 35 2HB TRP 601 2HB TRP 601 174.672 10.768 -6.351 36 HD1 TRP 601 HD1 TRP 601 171.463 8.814 -7.161 37 HE1 TRP 601 HE1 TRP 601 171.937 6.306 -6.826 38 HE3 TRP 601 HE3 TRP 601 176.157 9.135 -5.151 39 HZ2 TRP 601 HZ2 TRP 601 174.022 4.680 -5.844 40 HZ3 TRP 601 HZ3 TRP 601 177.320 7.055 -4.545 41 HH2 TRP 601 HH2 TRP 601 176.273 4.875 -4.882 42 H GLN 602 H GLN 602 174.796 12.686 -4.080 43 HA GLN 602 HA GLN 602 173.765 15.171 -5.283 44 1HB GLN 602 1HB GLN 602 174.773 16.322 -3.270 45 2HB GLN 602 2HB GLN 602 173.353 15.335 -2.949 46 1HG GLN 602 1HG GLN 602 175.725 13.752 -2.669 47 2HG GLN 602 2HG GLN 602 175.852 15.216 -1.694 48 1HE2 GLN 602 1HE2 GLN 602 174.712 12.096 -1.792 49 2HE2 GLN 602 2HE2 GLN 602 173.613 12.166 -0.461 50 HA PRO 603 HA PRO 603 177.888 15.081 -7.067 51 1HB PRO 603 1HB PRO 603 177.582 17.175 -8.733 52 2HB PRO 603 2HB PRO 603 176.844 15.601 -9.060 53 1HG PRO 603 1HG PRO 603 175.608 18.068 -7.902 54 2HG PRO 603 2HG PRO 603 174.954 16.951 -9.115 55 1HD PRO 603 1HD PRO 603 174.265 16.879 -6.475 56 2HD PRO 603 2HD PRO 603 174.247 15.454 -7.529 57 H SER 604 H SER 604 179.743 16.074 -6.557 58 HA SER 604 HA SER 604 179.607 18.331 -4.722 59 1HB SER 604 1HB SER 604 181.209 16.053 -4.844 60 2HB SER 604 2HB SER 604 182.290 17.370 -5.298 61 HG SER 604 HG SER 604 181.807 16.759 -2.918 62 H LYS 605 H LYS 605 181.183 20.098 -4.928 63 HA LYS 605 HA LYS 605 181.043 21.266 -7.526 64 1HB LYS 605 1HB LYS 605 181.941 22.093 -4.837 65 2HB LYS 605 2HB LYS 605 182.736 22.903 -6.181 66 1HG LYS 605 1HG LYS 605 181.014 24.305 -6.181 67 2HG LYS 605 2HG LYS 605 180.069 22.987 -6.874 68 1HD LYS 605 1HD LYS 605 178.745 23.378 -5.084 69 2HD LYS 605 2HD LYS 605 179.916 22.339 -4.269 70 1HE LYS 605 1HE LYS 605 180.675 25.168 -4.379 71 2HE LYS 605 2HE LYS 605 179.207 24.846 -3.458 72 1HZ LYS 605 1HZ LYS 605 180.619 23.015 -2.366 73 2HZ LYS 605 2HZ LYS 605 180.870 24.620 -1.894 74 3HZ LYS 605 3HZ LYS 605 181.945 23.877 -2.967 75 H GLU 606 H GLU 606 183.198 19.070 -6.182 76 HA GLU 606 HA GLU 606 185.666 19.981 -7.187 77 1HB GLU 606 1HB GLU 606 184.638 17.240 -6.479 78 2HB GLU 606 2HB GLU 606 186.279 17.505 -7.052 79 1HG GLU 606 1HG GLU 606 185.425 19.226 -4.828 80 2HG GLU 606 2HG GLU 606 185.557 17.508 -4.458 81 H GLY 607 H GLY 607 182.921 18.814 -8.828 82 1HA GLY 607 1HA GLY 607 182.725 18.869 -11.180 83 2HA GLY 607 2HA GLY 607 184.470 18.695 -11.307 84 H ASP 608 H ASP 608 184.844 16.494 -9.640 85 HA ASP 608 HA ASP 608 183.318 14.379 -11.004 86 1HB ASP 608 1HB ASP 608 186.288 14.447 -10.435 87 2HB ASP 608 2HB ASP 608 185.421 13.017 -10.982 88 H ARG 609 H ARG 609 182.166 14.906 -8.823 89 HA ARG 609 HA ARG 609 182.981 12.811 -6.973 90 1HB ARG 609 1HB ARG 609 182.808 15.721 -6.275 91 2HB ARG 609 2HB ARG 609 182.415 14.507 -5.065 92 1HG ARG 609 1HG ARG 609 185.006 14.469 -6.575 93 2HG ARG 609 2HG ARG 609 184.791 15.395 -5.089 94 1HD ARG 609 1HD ARG 609 183.780 12.943 -4.407 95 2HD ARG 609 2HD ARG 609 185.107 12.515 -5.487 96 HE ARG 609 HE ARG 609 186.584 13.191 -3.879 97 1HH1 ARG 609 1HH1 ARG 609 183.432 14.475 -3.112 98 2HH1 ARG 609 2HH1 ARG 609 183.914 15.073 -1.561 99 1HH2 ARG 609 1HH2 ARG 609 187.221 13.976 -1.838 100 2HH2 ARG 609 2HH2 ARG 609 186.065 14.790 -0.836 101 H LEU 610 H LEU 610 181.267 11.606 -6.548 102 HA LEU 610 HA LEU 610 178.622 12.879 -6.407 103 1HB LEU 610 1HB LEU 610 179.537 10.958 -8.340 104 2HB LEU 610 2HB LEU 610 178.258 10.248 -7.373 105 HG LEU 610 HG LEU 610 177.252 11.219 -9.303 106 1HD1 LEU 610 1HD1 LEU 610 175.567 12.355 -8.282 107 2HD1 LEU 610 2HD1 LEU 610 176.666 13.367 -7.343 108 3HD1 LEU 610 3HD1 LEU 610 176.367 11.698 -6.855 109 1HD2 LEU 610 1HD2 LEU 610 177.755 13.241 -10.226 110 2HD2 LEU 610 2HD2 LEU 610 179.309 12.874 -9.478 111 3HD2 LEU 610 3HD2 LEU 610 178.181 13.968 -8.677 112 H ILE 611 H ILE 611 177.893 12.608 -4.405 113 HA ILE 611 HA ILE 611 178.544 10.093 -3.012 114 HB ILE 611 HB ILE 611 177.646 12.516 -1.516 115 1HG1 ILE 611 1HG1 ILE 611 179.405 13.479 -2.809 116 2HG1 ILE 611 2HG1 ILE 611 180.092 13.111 -1.231 117 1HG2 ILE 611 1HG2 ILE 611 178.239 9.987 -0.769 118 2HG2 ILE 611 2HG2 ILE 611 178.358 11.391 0.293 119 3HG2 ILE 611 3HG2 ILE 611 179.797 10.779 -0.524 120 1HD1 ILE 611 1HD1 ILE 611 181.684 11.929 -2.200 121 2HD1 ILE 611 2HD1 ILE 611 181.000 12.310 -3.780 122 3HD1 ILE 611 3HD1 ILE 611 180.479 10.862 -2.919 123 H GLY 612 H GLY 612 176.949 8.838 -2.271 124 1HA GLY 612 1HA GLY 612 174.219 9.931 -2.185 125 2HA GLY 612 2HA GLY 612 174.533 8.470 -3.109 126 H ARG 613 H ARG 613 172.688 8.563 -1.029 127 HA ARG 613 HA ARG 613 174.023 7.036 1.108 128 1HB ARG 613 1HB ARG 613 172.845 9.033 1.908 129 2HB ARG 613 2HB ARG 613 171.363 8.477 1.142 130 1HG ARG 613 1HG ARG 613 171.437 6.474 2.625 131 2HG ARG 613 2HG ARG 613 172.797 7.218 3.467 132 1HD ARG 613 1HD ARG 613 171.352 9.189 3.928 133 2HD ARG 613 2HD ARG 613 169.998 8.310 3.219 134 HE ARG 613 HE ARG 613 169.798 7.154 5.172 135 1HH1 ARG 613 1HH1 ARG 613 173.009 8.513 5.028 136 2HH1 ARG 613 2HH1 ARG 613 173.429 8.009 6.630 137 1HH2 ARG 613 1HH2 ARG 613 170.349 6.492 7.280 138 2HH2 ARG 613 2HH2 ARG 613 171.919 6.861 7.910 139 H VAL 614 H VAL 614 173.755 4.883 0.993 140 HA VAL 614 HA VAL 614 171.359 3.891 -0.396 141 HB VAL 614 HB VAL 614 174.038 2.527 -0.124 142 1HG1 VAL 614 1HG1 VAL 614 172.789 1.232 -2.120 143 2HG1 VAL 614 2HG1 VAL 614 171.400 1.656 -1.118 144 3HG1 VAL 614 3HG1 VAL 614 172.725 0.715 -0.434 145 1HG2 VAL 614 1HG2 VAL 614 172.765 3.896 -2.491 146 2HG2 VAL 614 2HG2 VAL 614 174.253 2.951 -2.540 147 3HG2 VAL 614 3HG2 VAL 614 174.187 4.443 -1.601 148 H ILE 615 H ILE 615 169.946 2.777 0.736 149 HA ILE 615 HA ILE 615 170.788 1.622 3.312 150 HB ILE 615 HB ILE 615 167.935 2.224 2.566 151 1HG1 ILE 615 1HG1 ILE 615 169.201 4.324 2.391 152 2HG1 ILE 615 2HG1 ILE 615 168.133 4.344 3.789 153 1HG2 ILE 615 1HG2 ILE 615 168.162 0.734 4.412 154 2HG2 ILE 615 2HG2 ILE 615 167.712 2.313 5.057 155 3HG2 ILE 615 3HG2 ILE 615 169.384 1.760 5.164 156 1HD1 ILE 615 1HD1 ILE 615 171.105 3.888 3.795 157 2HD1 ILE 615 2HD1 ILE 615 170.065 3.761 5.215 158 3HD1 ILE 615 3HD1 ILE 615 170.241 5.308 4.386 159 H LEU 616 H LEU 616 170.954 -0.526 3.297 160 HA LEU 616 HA LEU 616 169.265 -2.028 1.410 161 1HB LEU 616 1HB LEU 616 172.122 -2.193 2.070 162 2HB LEU 616 2HB LEU 616 171.301 -3.744 2.010 163 HG LEU 616 HG LEU 616 171.280 -1.714 -0.223 164 1HD1 LEU 616 1HD1 LEU 616 173.031 -2.750 -1.216 165 2HD1 LEU 616 2HD1 LEU 616 172.662 -4.315 -0.493 166 3HD1 LEU 616 3HD1 LEU 616 173.467 -3.069 0.464 167 1HD2 LEU 616 1HD2 LEU 616 169.919 -3.084 -1.369 168 2HD2 LEU 616 2HD2 LEU 616 169.444 -3.621 0.243 169 3HD2 LEU 616 3HD2 LEU 616 170.628 -4.544 -0.683 170 H ASN 617 H ASN 617 168.338 -3.966 2.073 171 HA ASN 617 HA ASN 617 168.360 -4.448 4.981 172 1HB ASN 617 1HB ASN 617 166.050 -4.315 3.061 173 2HB ASN 617 2HB ASN 617 165.925 -5.207 4.575 174 1HD2 ASN 617 1HD2 ASN 617 165.028 -4.104 6.143 175 2HD2 ASN 617 2HD2 ASN 617 165.117 -2.394 6.374 176 H LYS 618 H LYS 618 168.728 -6.493 5.606 177 HA LYS 618 HA LYS 618 169.002 -8.530 3.527 178 1HB LYS 618 1HB LYS 618 169.860 -8.764 6.407 179 2HB LYS 618 2HB LYS 618 170.411 -9.714 5.035 180 1HG LYS 618 1HG LYS 618 171.766 -8.023 4.238 181 2HG LYS 618 2HG LYS 618 170.884 -6.765 5.107 182 1HD LYS 618 1HD LYS 618 172.563 -6.872 6.589 183 2HD LYS 618 2HD LYS 618 171.787 -8.355 7.145 184 1HE LYS 618 1HE LYS 618 173.661 -9.439 6.640 185 2HE LYS 618 2HE LYS 618 173.325 -9.112 4.940 186 1HZ LYS 618 1HZ LYS 618 175.357 -8.028 6.621 187 2HZ LYS 618 2HZ LYS 618 174.450 -6.800 5.891 188 3HZ LYS 618 3HZ LYS 618 175.213 -7.968 4.936 189 H ARG 619 H ARG 619 167.246 -7.810 6.471 190 HA ARG 619 HA ARG 619 166.118 -10.378 6.852 191 1HB ARG 619 1HB ARG 619 164.682 -9.348 8.454 192 2HB ARG 619 2HB ARG 619 166.252 -8.568 8.579 193 1HG ARG 619 1HG ARG 619 164.930 -6.729 8.627 194 2HG ARG 619 2HG ARG 619 165.133 -6.873 6.879 195 1HD ARG 619 1HD ARG 619 162.924 -6.978 6.690 196 2HD ARG 619 2HD ARG 619 162.968 -8.524 7.533 197 HE ARG 619 HE ARG 619 161.978 -7.488 9.296 198 1HH1 ARG 619 1HH1 ARG 619 163.700 -5.072 7.459 199 2HH1 ARG 619 2HH1 ARG 619 163.169 -3.757 8.452 200 1HH2 ARG 619 1HH2 ARG 619 161.277 -5.759 10.604 201 2HH2 ARG 619 2HH2 ARG 619 161.795 -4.146 10.240 202 H THR 620 H THR 620 165.494 -7.975 4.527 203 HA THR 620 HA THR 620 162.803 -9.036 4.008 204 HB THR 620 HB THR 620 162.787 -7.017 2.361 205 HG1 THR 620 HG1 THR 620 165.004 -6.527 2.580 206 1HG2 THR 620 1HG2 THR 620 161.850 -7.286 4.897 207 2HG2 THR 620 2HG2 THR 620 161.568 -5.895 3.849 208 3HG2 THR 620 3HG2 THR 620 162.873 -5.856 5.036 209 H THR 621 H THR 621 162.566 -10.473 2.436 210 HA THR 621 HA THR 621 164.666 -11.335 0.784 211 HB THR 621 HB THR 621 162.678 -12.701 1.409 212 HG1 THR 621 HG1 THR 621 162.846 -12.553 -1.401 213 1HG2 THR 621 1HG2 THR 621 161.249 -11.081 -0.685 214 2HG2 THR 621 2HG2 THR 621 160.907 -11.073 1.045 215 3HG2 THR 621 3HG2 THR 621 160.639 -12.538 0.100 216 H MET 622 H MET 622 164.417 -11.427 -1.689 217 HA MET 622 HA MET 622 163.999 -8.678 -2.603 218 1HB MET 622 1HB MET 622 165.639 -10.973 -3.619 219 2HB MET 622 2HB MET 622 165.225 -9.639 -4.686 220 1HG MET 622 1HG MET 622 166.902 -8.459 -3.873 221 2HG MET 622 2HG MET 622 166.179 -8.530 -2.269 222 1HE MET 622 1HE MET 622 167.859 -11.267 -0.428 223 2HE MET 622 2HE MET 622 166.628 -11.895 -1.525 224 3HE MET 622 3HE MET 622 166.378 -10.351 -0.710 225 HA PRO 623 HA PRO 623 160.484 -9.488 -5.102 226 1HB PRO 623 1HB PRO 623 161.796 -8.251 -7.439 227 2HB PRO 623 2HB PRO 623 160.348 -7.746 -6.565 228 1HG PRO 623 1HG PRO 623 162.648 -6.388 -6.362 229 2HG PRO 623 2HG PRO 623 161.552 -6.573 -4.979 230 1HD PRO 623 1HD PRO 623 164.094 -8.033 -5.592 231 2HD PRO 623 2HD PRO 623 163.495 -7.416 -4.037 232 H LYS 624 H LYS 624 163.548 -10.683 -6.086 233 HA LYS 624 HA LYS 624 162.356 -12.303 -8.211 234 1HB LYS 624 1HB LYS 624 164.875 -13.033 -8.441 235 2HB LYS 624 2HB LYS 624 164.309 -11.515 -9.117 236 1HG LYS 624 1HG LYS 624 166.152 -10.729 -8.092 237 2HG LYS 624 2HG LYS 624 165.074 -10.645 -6.703 238 1HD LYS 624 1HD LYS 624 166.949 -11.724 -5.853 239 2HD LYS 624 2HD LYS 624 165.862 -13.059 -6.233 240 1HE LYS 624 1HE LYS 624 167.991 -13.687 -7.045 241 2HE LYS 624 2HE LYS 624 167.039 -13.228 -8.457 242 1HZ LYS 624 1HZ LYS 624 168.814 -11.978 -8.939 243 2HZ LYS 624 2HZ LYS 624 169.412 -12.004 -7.358 244 3HZ LYS 624 3HZ LYS 624 168.202 -10.902 -7.784 245 H GLU 625 H GLU 625 164.134 -12.629 -5.169 246 HA GLU 625 HA GLU 625 162.804 -14.894 -4.297 247 1HB GLU 625 1HB GLU 625 164.593 -16.634 -4.628 248 2HB GLU 625 2HB GLU 625 163.729 -16.175 -6.089 249 1HG GLU 625 1HG GLU 625 165.549 -14.926 -6.898 250 2HG GLU 625 2HG GLU 625 166.360 -14.948 -5.332 251 H SER 626 H SER 626 164.368 -16.202 -2.681 252 HA SER 626 HA SER 626 165.164 -14.304 -0.739 253 1HB SER 626 1HB SER 626 165.549 -17.294 -0.936 254 2HB SER 626 2HB SER 626 166.085 -16.351 0.454 255 HG SER 626 HG SER 626 163.425 -16.261 -0.502 256 H GLY 627 H GLY 627 167.083 -13.387 -0.322 257 1HA GLY 627 1HA GLY 627 169.316 -14.096 -2.095 258 2HA GLY 627 2HA GLY 627 169.132 -12.573 -1.239 259 H ALA 628 H ALA 628 171.486 -13.250 -0.851 260 HA ALA 628 HA ALA 628 171.773 -15.168 1.322 261 1HB ALA 628 1HB ALA 628 174.227 -14.660 1.033 262 2HB ALA 628 2HB ALA 628 173.768 -13.673 -0.355 263 3HB ALA 628 3HB ALA 628 173.426 -15.403 -0.351 264 H LEU 629 H LEU 629 172.893 -11.848 0.705 265 HA LEU 629 HA LEU 629 172.552 -11.303 3.577 266 1HB LEU 629 1HB LEU 629 174.422 -9.624 2.002 267 2HB LEU 629 2HB LEU 629 174.487 -10.099 3.683 268 HG LEU 629 HG LEU 629 176.331 -11.107 2.607 269 1HD1 LEU 629 1HD1 LEU 629 174.657 -13.506 2.547 270 2HD1 LEU 629 2HD1 LEU 629 174.563 -12.549 4.025 271 3HD1 LEU 629 3HD1 LEU 629 176.122 -13.155 3.462 272 1HD2 LEU 629 1HD2 LEU 629 175.233 -12.867 0.700 273 2HD2 LEU 629 2HD2 LEU 629 176.335 -11.519 0.437 274 3HD2 LEU 629 3HD2 LEU 629 174.594 -11.260 0.361 275 H LEU 630 H LEU 630 173.166 -9.174 0.806 276 HA LEU 630 HA LEU 630 170.526 -7.975 1.167 277 1HB LEU 630 1HB LEU 630 171.924 -5.724 0.706 278 2HB LEU 630 2HB LEU 630 171.484 -6.287 2.306 279 HG LEU 630 HG LEU 630 174.040 -7.285 1.248 280 1HD1 LEU 630 1HD1 LEU 630 173.624 -4.401 1.989 281 2HD1 LEU 630 2HD1 LEU 630 174.254 -5.041 0.469 282 3HD1 LEU 630 3HD1 LEU 630 175.203 -5.189 1.948 283 1HD2 LEU 630 1HD2 LEU 630 174.651 -6.540 3.650 284 2HD2 LEU 630 2HD2 LEU 630 173.644 -7.965 3.402 285 3HD2 LEU 630 3HD2 LEU 630 172.904 -6.432 3.862 286 H GLY 631 H GLY 631 173.531 -7.827 -0.826 287 1HA GLY 631 1HA GLY 631 172.461 -8.667 -3.174 288 2HA GLY 631 2HA GLY 631 171.983 -6.985 -3.115 289 H LEU 632 H LEU 632 175.087 -7.554 -1.682 290 HA LEU 632 HA LEU 632 176.537 -7.413 -4.154 291 1HB LEU 632 1HB LEU 632 176.957 -5.239 -4.384 292 2HB LEU 632 2HB LEU 632 175.520 -5.029 -3.410 293 HG LEU 632 HG LEU 632 178.382 -4.893 -2.454 294 1HD1 LEU 632 1HD1 LEU 632 177.911 -2.563 -2.071 295 2HD1 LEU 632 2HD1 LEU 632 176.238 -2.780 -2.582 296 3HD1 LEU 632 3HD1 LEU 632 177.546 -2.959 -3.751 297 1HD2 LEU 632 1HD2 LEU 632 177.515 -5.554 -0.492 298 2HD2 LEU 632 2HD2 LEU 632 175.855 -5.250 -1.006 299 3HD2 LEU 632 3HD2 LEU 632 176.860 -3.920 -0.430 300 H LYS 633 H LYS 633 178.841 -7.444 -3.919 301 HA LYS 633 HA LYS 633 179.668 -8.405 -1.260 302 1HB LYS 633 1HB LYS 633 179.889 -9.772 -3.530 303 2HB LYS 633 2HB LYS 633 181.355 -8.815 -3.689 304 1HG LYS 633 1HG LYS 633 182.379 -9.829 -1.910 305 2HG LYS 633 2HG LYS 633 180.852 -10.240 -1.127 306 1HD LYS 633 1HD LYS 633 180.915 -12.271 -2.026 307 2HD LYS 633 2HD LYS 633 180.970 -11.573 -3.645 308 1HE LYS 633 1HE LYS 633 183.498 -11.215 -3.080 309 2HE LYS 633 2HE LYS 633 183.207 -12.479 -1.887 310 1HZ LYS 633 1HZ LYS 633 183.470 -12.687 -4.731 311 2HZ LYS 633 2HZ LYS 633 182.073 -13.454 -4.163 312 3HZ LYS 633 3HZ LYS 633 183.586 -13.890 -3.546 313 H VAL 634 H VAL 634 181.193 -7.313 -0.141 314 HA VAL 634 HA VAL 634 182.607 -5.153 -1.558 315 HB VAL 634 HB VAL 634 181.098 -5.055 1.015 316 1HG1 VAL 634 1HG1 VAL 634 183.288 -4.465 1.787 317 2HG1 VAL 634 2HG1 VAL 634 182.353 -2.977 1.623 318 3HG1 VAL 634 3HG1 VAL 634 183.548 -3.409 0.399 319 1HG2 VAL 634 1HG2 VAL 634 179.854 -3.698 -0.218 320 2HG2 VAL 634 2HG2 VAL 634 180.995 -3.825 -1.560 321 3HG2 VAL 634 3HG2 VAL 634 181.218 -2.583 -0.329 322 H VAL 635 H VAL 635 184.616 -4.526 -0.741 323 HA VAL 635 HA VAL 635 185.963 -6.611 0.832 324 HB VAL 635 HB VAL 635 186.665 -5.252 -1.663 325 1HG1 VAL 635 1HG1 VAL 635 188.212 -4.041 -0.257 326 2HG1 VAL 635 2HG1 VAL 635 189.082 -5.212 -1.249 327 3HG1 VAL 635 3HG1 VAL 635 188.784 -5.548 0.457 328 1HG2 VAL 635 1HG2 VAL 635 186.329 -7.737 -1.068 329 2HG2 VAL 635 2HG2 VAL 635 187.996 -7.653 -0.495 330 3HG2 VAL 635 3HG2 VAL 635 187.623 -7.286 -2.179 331 H GLY 636 H GLY 636 187.786 -5.859 2.167 332 1HA GLY 636 1HA GLY 636 187.517 -3.042 2.996 333 2HA GLY 636 2HA GLY 636 187.456 -4.326 4.194 334 H GLY 637 H GLY 637 189.332 -2.143 4.077 335 1HA GLY 637 1HA GLY 637 191.566 -2.002 4.705 336 2HA GLY 637 2HA GLY 637 191.759 -3.701 4.302 337 H LYS 638 H LYS 638 190.547 -1.112 2.220 338 HA LYS 638 HA LYS 638 192.726 -1.717 0.348 339 1HB LYS 638 1HB LYS 638 190.075 -0.343 -0.125 340 2HB LYS 638 2HB LYS 638 191.289 -0.652 -1.359 341 1HG LYS 638 1HG LYS 638 189.753 -2.716 0.204 342 2HG LYS 638 2HG LYS 638 189.532 -2.296 -1.495 343 1HD LYS 638 1HD LYS 638 191.030 -3.852 -2.025 344 2HD LYS 638 2HD LYS 638 192.260 -2.902 -1.188 345 1HE LYS 638 1HE LYS 638 191.016 -4.144 0.891 346 2HE LYS 638 2HE LYS 638 190.891 -5.367 -0.373 347 1HZ LYS 638 1HZ LYS 638 193.364 -4.945 -0.714 348 2HZ LYS 638 2HZ LYS 638 192.910 -5.803 0.671 349 3HZ LYS 638 3HZ LYS 638 193.329 -4.169 0.789 350 H MET 639 H MET 639 194.347 -0.427 1.210 351 HA MET 639 HA MET 639 194.085 2.225 2.044 352 1HB MET 639 1HB MET 639 196.069 0.624 2.331 353 2HB MET 639 2HB MET 639 196.562 1.138 0.723 354 1HG MET 639 1HG MET 639 197.676 2.764 1.736 355 2HG MET 639 2HG MET 639 196.109 3.517 2.019 356 1HE MET 639 1HE MET 639 196.167 4.566 4.852 357 2HE MET 639 2HE MET 639 195.256 3.198 5.490 358 3HE MET 639 3HE MET 639 194.959 3.765 3.846 359 H THR 640 H THR 640 193.369 3.886 0.898 360 HA THR 640 HA THR 640 193.540 3.911 -1.984 361 HB THR 640 HB THR 640 192.391 6.164 -1.690 362 HG1 THR 640 HG1 THR 640 191.528 6.506 0.410 363 1HG2 THR 640 1HG2 THR 640 191.220 3.598 -0.731 364 2HG2 THR 640 2HG2 THR 640 190.867 4.522 -2.191 365 3HG2 THR 640 3HG2 THR 640 190.286 5.091 -0.626 366 H ASP 641 H ASP 641 194.088 6.221 -2.928 367 HA ASP 641 HA ASP 641 196.878 6.603 -2.453 368 1HB ASP 641 1HB ASP 641 195.467 6.895 -4.650 369 2HB ASP 641 2HB ASP 641 195.247 8.537 -4.051 370 H LEU 642 H LEU 642 194.126 7.837 -0.947 371 HA LEU 642 HA LEU 642 195.181 10.444 -0.327 372 1HB LEU 642 1HB LEU 642 192.824 8.927 0.793 373 2HB LEU 642 2HB LEU 642 193.220 10.587 1.196 374 HG LEU 642 HG LEU 642 191.475 10.664 -0.412 375 1HD1 LEU 642 1HD1 LEU 642 193.726 11.140 -2.271 376 2HD1 LEU 642 2HD1 LEU 642 193.745 12.019 -0.742 377 3HD1 LEU 642 3HD1 LEU 642 192.371 12.180 -1.835 378 1HD2 LEU 642 1HD2 LEU 642 191.288 9.373 -2.300 379 2HD2 LEU 642 2HD2 LEU 642 192.128 8.260 -1.222 380 3HD2 LEU 642 3HD2 LEU 642 193.030 9.146 -2.451 381 H GLY 643 H GLY 643 195.207 7.272 1.105 382 1HA GLY 643 1HA GLY 643 197.015 6.760 2.645 383 2HA GLY 643 2HA GLY 643 196.806 8.365 3.331 384 H ARG 644 H ARG 644 193.994 6.516 2.542 385 HA ARG 644 HA ARG 644 193.687 5.678 5.337 386 1HB ARG 644 1HB ARG 644 191.243 6.402 5.130 387 2HB ARG 644 2HB ARG 644 192.440 7.670 5.351 388 1HG ARG 644 1HG ARG 644 191.629 8.682 3.561 389 2HG ARG 644 2HG ARG 644 192.195 7.328 2.581 390 1HD ARG 644 1HD ARG 644 190.126 6.508 2.306 391 2HD ARG 644 2HD ARG 644 189.682 6.807 3.986 392 HE ARG 644 HE ARG 644 189.823 9.223 2.482 393 1HH1 ARG 644 1HH1 ARG 644 187.805 6.451 3.130 394 2HH1 ARG 644 2HH1 ARG 644 186.331 7.279 2.760 395 1HH2 ARG 644 1HH2 ARG 644 187.884 10.316 1.993 396 2HH2 ARG 644 2HH2 ARG 644 186.376 9.474 2.113 397 H LEU 645 H LEU 645 192.261 3.920 5.669 398 HA LEU 645 HA LEU 645 192.088 2.156 3.372 399 1HB LEU 645 1HB LEU 645 191.464 1.738 6.294 400 2HB LEU 645 2HB LEU 645 191.301 0.493 5.071 401 HG LEU 645 HG LEU 645 193.856 1.833 5.952 402 1HD1 LEU 645 1HD1 LEU 645 193.353 -1.099 6.023 403 2HD1 LEU 645 2HD1 LEU 645 192.638 -0.083 7.275 404 3HD1 LEU 645 3HD1 LEU 645 194.386 -0.103 7.049 405 1HD2 LEU 645 1HD2 LEU 645 194.622 -0.229 4.368 406 2HD2 LEU 645 2HD2 LEU 645 194.506 1.448 3.834 407 3HD2 LEU 645 3HD2 LEU 645 193.180 0.329 3.520 408 H GLY 646 H GLY 646 190.181 1.188 2.615 409 1HA GLY 646 1HA GLY 646 187.635 2.177 3.648 410 2HA GLY 646 2HA GLY 646 188.034 2.607 1.992 411 H ALA 647 H ALA 647 186.057 1.447 1.471 412 HA ALA 647 HA ALA 647 186.586 -1.429 1.164 413 1HB ALA 647 1HB ALA 647 184.284 -0.138 2.474 414 2HB ALA 647 2HB ALA 647 184.991 -1.734 2.728 415 3HB ALA 647 3HB ALA 647 183.901 -1.460 1.369 416 H PHE 648 H PHE 648 185.783 -2.393 -0.694 417 HA PHE 648 HA PHE 648 184.517 -0.631 -2.675 418 1HB PHE 648 1HB PHE 648 186.928 -2.400 -3.122 419 2HB PHE 648 2HB PHE 648 185.986 -1.686 -4.425 420 HD1 PHE 648 HD1 PHE 648 186.362 0.520 -5.118 421 HD2 PHE 648 HD2 PHE 648 188.092 -0.879 -1.491 422 HE1 PHE 648 HE1 PHE 648 187.725 2.563 -4.985 423 HE2 PHE 648 HE2 PHE 648 189.458 1.162 -1.350 424 HZ PHE 648 HZ PHE 648 189.275 2.887 -3.099 425 H ILE 649 H ILE 649 183.103 -1.651 -4.104 426 HA ILE 649 HA ILE 649 182.084 -4.185 -3.175 427 HB ILE 649 HB ILE 649 181.150 -2.370 -5.401 428 1HG1 ILE 649 1HG1 ILE 649 179.681 -2.933 -2.845 429 2HG1 ILE 649 2HG1 ILE 649 180.980 -1.743 -2.868 430 1HG2 ILE 649 1HG2 ILE 649 180.525 -4.651 -5.918 431 2HG2 ILE 649 2HG2 ILE 649 179.101 -3.736 -5.418 432 3HG2 ILE 649 3HG2 ILE 649 179.864 -4.864 -4.295 433 1HD1 ILE 649 1HD1 ILE 649 178.755 -1.591 -4.856 434 2HD1 ILE 649 2HD1 ILE 649 179.819 -0.314 -4.267 435 3HD1 ILE 649 3HD1 ILE 649 178.555 -0.960 -3.222 436 H THR 650 H THR 650 182.767 -6.075 -3.882 437 HA THR 650 HA THR 650 184.450 -6.305 -6.189 438 HB THR 650 HB THR 650 183.880 -8.884 -5.479 439 HG1 THR 650 HG1 THR 650 183.356 -9.002 -3.424 440 1HG2 THR 650 1HG2 THR 650 186.124 -7.927 -5.627 441 2HG2 THR 650 2HG2 THR 650 185.900 -8.870 -4.154 442 3HG2 THR 650 3HG2 THR 650 185.869 -7.107 -4.087 443 H LYS 651 H LYS 651 181.091 -7.051 -5.450 444 HA LYS 651 HA LYS 651 180.419 -7.113 -8.215 445 1HB LYS 651 1HB LYS 651 179.790 -9.403 -8.482 446 2HB LYS 651 2HB LYS 651 181.456 -9.368 -7.925 447 1HG LYS 651 1HG LYS 651 180.949 -10.302 -5.909 448 2HG LYS 651 2HG LYS 651 179.318 -9.630 -5.881 449 1HD LYS 651 1HD LYS 651 179.253 -12.048 -6.166 450 2HD LYS 651 2HD LYS 651 178.631 -11.231 -7.602 451 1HE LYS 651 1HE LYS 651 180.099 -13.096 -8.195 452 2HE LYS 651 2HE LYS 651 180.765 -11.553 -8.727 453 1HZ LYS 651 1HZ LYS 651 182.235 -11.556 -6.821 454 2HZ LYS 651 2HZ LYS 651 182.450 -12.972 -7.721 455 3HZ LYS 651 3HZ LYS 651 181.577 -13.017 -6.274 456 H VAL 652 H VAL 652 178.153 -7.445 -8.613 457 HA VAL 652 HA VAL 652 176.449 -7.158 -6.226 458 HB VAL 652 HB VAL 652 175.061 -5.750 -8.133 459 1HG1 VAL 652 1HG1 VAL 652 175.431 -3.848 -6.786 460 2HG1 VAL 652 2HG1 VAL 652 176.987 -4.460 -6.221 461 3HG1 VAL 652 3HG1 VAL 652 175.492 -5.240 -5.705 462 1HG2 VAL 652 1HG2 VAL 652 177.843 -4.665 -8.334 463 2HG2 VAL 652 2HG2 VAL 652 176.429 -4.303 -9.326 464 3HG2 VAL 652 3HG2 VAL 652 177.247 -5.859 -9.487 465 H LYS 653 H LYS 653 174.702 -8.449 -6.196 466 HA LYS 653 HA LYS 653 174.322 -10.327 -8.340 467 1HB LYS 653 1HB LYS 653 173.997 -10.588 -5.719 468 2HB LYS 653 2HB LYS 653 172.359 -10.079 -6.108 469 1HG LYS 653 1HG LYS 653 171.997 -11.954 -7.488 470 2HG LYS 653 2HG LYS 653 173.712 -12.364 -7.508 471 1HD LYS 653 1HD LYS 653 172.491 -12.245 -4.836 472 2HD LYS 653 2HD LYS 653 171.871 -13.523 -5.884 473 1HE LYS 653 1HE LYS 653 174.608 -13.640 -6.254 474 2HE LYS 653 2HE LYS 653 174.435 -13.295 -4.533 475 1HZ LYS 653 1HZ LYS 653 174.423 -15.730 -5.357 476 2HZ LYS 653 2HZ LYS 653 172.812 -15.418 -5.764 477 3HZ LYS 653 3HZ LYS 653 173.324 -15.257 -4.160 478 H LYS 654 H LYS 654 173.374 -9.606 -10.147 479 HA LYS 654 HA LYS 654 171.647 -7.443 -10.387 480 1HB LYS 654 1HB LYS 654 172.887 -9.067 -12.149 481 2HB LYS 654 2HB LYS 654 171.242 -9.674 -12.291 482 1HG LYS 654 1HG LYS 654 171.709 -6.737 -12.431 483 2HG LYS 654 2HG LYS 654 172.105 -7.740 -13.828 484 1HD LYS 654 1HD LYS 654 169.942 -8.119 -14.321 485 2HD LYS 654 2HD LYS 654 169.486 -8.297 -12.625 486 1HE LYS 654 1HE LYS 654 169.750 -5.772 -12.455 487 2HE LYS 654 2HE LYS 654 169.805 -5.767 -14.218 488 1HZ LYS 654 1HZ LYS 654 167.626 -6.729 -14.295 489 2HZ LYS 654 2HZ LYS 654 167.570 -5.355 -13.310 490 3HZ LYS 654 3HZ LYS 654 167.578 -6.896 -12.611 491 H GLY 655 H GLY 655 169.857 -7.287 -9.159 492 1HA GLY 655 1HA GLY 655 167.441 -7.882 -9.416 493 2HA GLY 655 2HA GLY 655 167.961 -9.552 -9.243 494 H SER 656 H SER 656 169.986 -8.552 -7.183 495 HA SER 656 HA SER 656 168.363 -9.060 -4.906 496 1HB SER 656 1HB SER 656 171.247 -8.303 -5.291 497 2HB SER 656 2HB SER 656 170.539 -8.377 -3.678 498 HG SER 656 HG SER 656 171.507 -10.363 -4.317 499 H LEU 657 H LEU 657 168.667 -7.542 -2.910 500 HA LEU 657 HA LEU 657 167.236 -5.194 -3.391 501 1HB LEU 657 1HB LEU 657 168.851 -6.151 -1.055 502 2HB LEU 657 2HB LEU 657 168.100 -4.569 -1.040 503 HG LEU 657 HG LEU 657 166.220 -6.663 -1.782 504 1HD1 LEU 657 1HD1 LEU 657 168.018 -7.183 0.432 505 2HD1 LEU 657 2HD1 LEU 657 166.816 -8.232 -0.320 506 3HD1 LEU 657 3HD1 LEU 657 166.333 -7.104 0.948 507 1HD2 LEU 657 1HD2 LEU 657 164.768 -5.382 -0.601 508 2HD2 LEU 657 2HD2 LEU 657 166.018 -4.168 -0.872 509 3HD2 LEU 657 3HD2 LEU 657 165.941 -5.025 0.668 510 H ALA 658 H ALA 658 170.668 -5.589 -2.596 511 HA ALA 658 HA ALA 658 171.507 -2.983 -2.596 512 1HB ALA 658 1HB ALA 658 173.661 -3.771 -2.793 513 2HB ALA 658 2HB ALA 658 173.214 -5.015 -3.960 514 3HB ALA 658 3HB ALA 658 172.810 -5.220 -2.257 515 H ASP 659 H ASP 659 170.632 -4.939 -5.344 516 HA ASP 659 HA ASP 659 171.711 -3.065 -7.260 517 1HB ASP 659 1HB ASP 659 171.676 -5.507 -7.702 518 2HB ASP 659 2HB ASP 659 169.915 -5.450 -7.729 519 H VAL 660 H VAL 660 168.473 -4.151 -6.310 520 HA VAL 660 HA VAL 660 167.169 -2.228 -7.981 521 HB VAL 660 HB VAL 660 165.128 -2.909 -6.481 522 1HG1 VAL 660 1HG1 VAL 660 166.016 -3.654 -8.899 523 2HG1 VAL 660 2HG1 VAL 660 164.554 -4.304 -8.159 524 3HG1 VAL 660 3HG1 VAL 660 166.065 -5.210 -8.070 525 1HG2 VAL 660 1HG2 VAL 660 165.330 -4.634 -5.056 526 2HG2 VAL 660 2HG2 VAL 660 167.037 -4.197 -5.037 527 3HG2 VAL 660 3HG2 VAL 660 166.471 -5.488 -6.094 528 H VAL 661 H VAL 661 167.491 -2.504 -4.423 529 HA VAL 661 HA VAL 661 166.409 0.169 -4.118 530 HB VAL 661 HB VAL 661 165.756 -1.567 -2.512 531 1HG1 VAL 661 1HG1 VAL 661 168.694 -1.746 -2.108 532 2HG1 VAL 661 2HG1 VAL 661 167.478 -3.021 -2.152 533 3HG1 VAL 661 3HG1 VAL 661 167.641 -2.005 -0.720 534 1HG2 VAL 661 1HG2 VAL 661 167.302 0.217 -0.761 535 2HG2 VAL 661 2HG2 VAL 661 165.565 -0.080 -0.836 536 3HG2 VAL 661 3HG2 VAL 661 166.321 1.026 -1.984 537 H GLY 662 H GLY 662 169.518 -1.424 -4.040 538 1HA GLY 662 1HA GLY 662 170.856 0.869 -2.874 539 2HA GLY 662 2HA GLY 662 171.622 -0.607 -3.443 540 H HIS 663 H HIS 663 171.034 -0.819 -6.003 541 HA HIS 663 HA HIS 663 171.446 -0.071 -8.103 542 1HB HIS 663 1HB HIS 663 169.976 1.947 -6.973 543 2HB HIS 663 2HB HIS 663 171.413 2.805 -7.517 544 HD1 HIS 663 HD1 HIS 663 171.489 3.416 -9.933 545 HD2 HIS 663 HD2 HIS 663 168.649 0.488 -9.139 546 HE1 HIS 663 HE1 HIS 663 170.240 3.088 -12.091 547 HE2 HIS 663 HE2 HIS 663 168.591 1.245 -11.611 548 H LEU 664 H LEU 664 173.665 -0.867 -7.044 549 HA LEU 664 HA LEU 664 175.606 1.166 -7.859 550 1HB LEU 664 1HB LEU 664 177.131 0.075 -6.022 551 2HB LEU 664 2HB LEU 664 176.059 1.405 -5.638 552 HG LEU 664 HG LEU 664 176.118 -0.450 -3.957 553 1HD1 LEU 664 1HD1 LEU 664 174.216 0.526 -3.393 554 2HD1 LEU 664 2HD1 LEU 664 173.372 -0.641 -4.406 555 3HD1 LEU 664 3HD1 LEU 664 173.852 0.918 -5.073 556 1HD2 LEU 664 1HD2 LEU 664 174.315 -2.061 -5.664 557 2HD2 LEU 664 2HD2 LEU 664 175.438 -2.563 -4.401 558 3HD2 LEU 664 3HD2 LEU 664 176.044 -2.145 -6.005 559 H ARG 665 H ARG 665 177.865 0.017 -8.040 560 HA ARG 665 HA ARG 665 177.536 -2.705 -9.051 561 1HB ARG 665 1HB ARG 665 178.642 -0.396 -10.650 562 2HB ARG 665 2HB ARG 665 178.843 -2.083 -11.102 563 1HG ARG 665 1HG ARG 665 176.203 -2.072 -10.853 564 2HG ARG 665 2HG ARG 665 176.437 -0.360 -11.211 565 1HD ARG 665 1HD ARG 665 176.059 -1.510 -13.274 566 2HD ARG 665 2HD ARG 665 177.752 -1.026 -13.217 567 HE ARG 665 HE ARG 665 176.701 -3.746 -13.000 568 1HH1 ARG 665 1HH1 ARG 665 179.471 -1.611 -13.060 569 2HH1 ARG 665 2HH1 ARG 665 180.599 -2.889 -13.358 570 1HH2 ARG 665 1HH2 ARG 665 178.190 -5.418 -13.390 571 2HH2 ARG 665 2HH2 ARG 665 179.875 -5.046 -13.545 572 H ALA 666 H ALA 666 179.600 -3.783 -9.491 573 HA ALA 666 HA ALA 666 181.367 -3.601 -7.352 574 1HB ALA 666 1HB ALA 666 182.284 -4.701 -9.969 575 2HB ALA 666 2HB ALA 666 180.967 -5.491 -9.100 576 3HB ALA 666 3HB ALA 666 182.549 -5.314 -8.338 577 H GLY 667 H GLY 667 182.950 -2.239 -6.876 578 1HA GLY 667 1HA GLY 667 185.067 -1.250 -7.791 579 2HA GLY 667 2HA GLY 667 184.050 -0.579 -9.058 580 H ASP 668 H ASP 668 181.886 -0.153 -6.999 581 HA ASP 668 HA ASP 668 182.506 2.543 -6.387 582 1HB ASP 668 1HB ASP 668 180.245 0.705 -5.964 583 2HB ASP 668 2HB ASP 668 180.405 1.955 -4.734 584 H GLU 669 H GLU 669 183.147 3.510 -4.504 585 HA GLU 669 HA GLU 669 184.264 1.711 -2.483 586 1HB GLU 669 1HB GLU 669 185.677 3.476 -3.658 587 2HB GLU 669 2HB GLU 669 184.776 4.669 -2.735 588 1HG GLU 669 1HG GLU 669 185.547 3.654 -0.656 589 2HG GLU 669 2HG GLU 669 186.441 2.446 -1.577 590 H VAL 670 H VAL 670 183.102 1.370 -0.715 591 HA VAL 670 HA VAL 670 181.117 3.350 0.108 592 HB VAL 670 HB VAL 670 181.570 0.495 0.984 593 1HG1 VAL 670 1HG1 VAL 670 180.719 1.276 2.947 594 2HG1 VAL 670 2HG1 VAL 670 179.206 1.037 2.075 595 3HG1 VAL 670 3HG1 VAL 670 179.915 2.648 2.184 596 1HG2 VAL 670 1HG2 VAL 670 179.098 1.616 -0.283 597 2HG2 VAL 670 2HG2 VAL 670 179.653 -0.057 -0.214 598 3HG2 VAL 670 3HG2 VAL 670 180.469 1.099 -1.266 599 H LEU 671 H LEU 671 181.973 4.913 1.336 600 HA LEU 671 HA LEU 671 184.101 4.333 3.217 601 1HB LEU 671 1HB LEU 671 182.659 6.951 2.837 602 2HB LEU 671 2HB LEU 671 184.224 6.694 3.581 603 HG LEU 671 HG LEU 671 184.803 7.559 1.520 604 1HD1 LEU 671 1HD1 LEU 671 184.723 4.574 1.119 605 2HD1 LEU 671 2HD1 LEU 671 186.034 5.517 1.829 606 3HD1 LEU 671 3HD1 LEU 671 185.641 5.701 0.120 607 1HD2 LEU 671 1HD2 LEU 671 183.125 5.865 -0.200 608 2HD2 LEU 671 2HD2 LEU 671 183.521 7.580 -0.326 609 3HD2 LEU 671 3HD2 LEU 671 182.257 7.044 0.783 610 H GLU 672 H GLU 672 180.851 3.923 3.327 611 HA GLU 672 HA GLU 672 180.840 4.117 6.242 612 1HB GLU 672 1HB GLU 672 178.813 5.390 4.410 613 2HB GLU 672 2HB GLU 672 178.510 5.091 6.117 614 1HG GLU 672 1HG GLU 672 179.937 6.728 6.805 615 2HG GLU 672 2HG GLU 672 180.961 6.588 5.377 616 H TRP 673 H TRP 673 180.055 2.323 7.122 617 HA TRP 673 HA TRP 673 178.108 0.718 5.608 618 1HB TRP 673 1HB TRP 673 180.517 -0.182 5.571 619 2HB TRP 673 2HB TRP 673 180.283 -0.530 7.282 620 HD1 TRP 673 HD1 TRP 673 178.194 -2.282 7.841 621 HE1 TRP 673 HE1 TRP 673 177.408 -4.330 6.489 622 HE3 TRP 673 HE3 TRP 673 180.280 -1.116 3.329 623 HZ2 TRP 673 HZ2 TRP 673 177.660 -5.321 3.848 624 HZ3 TRP 673 HZ3 TRP 673 179.957 -2.656 1.447 625 HH2 TRP 673 HH2 TRP 673 178.670 -4.720 1.700 626 H ASN 674 H ASN 674 176.289 0.722 6.767 627 HA ASN 674 HA ASN 674 174.837 0.507 8.507 628 1HB ASN 674 1HB ASN 674 176.272 -1.491 9.051 629 2HB ASN 674 2HB ASN 674 177.191 -0.458 10.141 630 1HD2 ASN 674 1HD2 ASN 674 173.879 -1.495 9.446 631 2HD2 ASN 674 2HD2 ASN 674 173.358 -1.526 11.092 632 H GLY 675 H GLY 675 175.941 2.996 8.011 633 1HA GLY 675 1HA GLY 675 176.031 5.085 8.949 634 2HA GLY 675 2HA GLY 675 175.310 4.377 10.383 635 H LYS 676 H LYS 676 178.290 2.959 9.411 636 HA LYS 676 HA LYS 676 179.640 4.429 11.578 637 1HB LYS 676 1HB LYS 676 180.179 2.418 12.390 638 2HB LYS 676 2HB LYS 676 179.403 1.632 11.027 639 1HG LYS 676 1HG LYS 676 181.357 1.057 10.114 640 2HG LYS 676 2HG LYS 676 182.053 2.665 10.339 641 1HD LYS 676 1HD LYS 676 181.803 0.554 12.491 642 2HD LYS 676 2HD LYS 676 183.271 0.906 11.577 643 1HE LYS 676 1HE LYS 676 183.306 3.165 12.457 644 2HE LYS 676 2HE LYS 676 181.802 2.869 13.328 645 1HZ LYS 676 1HZ LYS 676 184.204 2.586 14.419 646 2HZ LYS 676 2HZ LYS 676 183.968 1.008 13.860 647 3HZ LYS 676 3HZ LYS 676 182.852 1.702 14.923 648 HA PRO 677 HA PRO 677 182.471 5.859 8.484 649 1HB PRO 677 1HB PRO 677 184.424 6.828 10.049 650 2HB PRO 677 2HB PRO 677 182.838 7.608 9.973 651 1HG PRO 677 1HG PRO 677 183.956 5.783 12.060 652 2HG PRO 677 2HG PRO 677 182.963 7.238 12.259 653 1HD PRO 677 1HD PRO 677 181.993 4.655 12.352 654 2HD PRO 677 2HD PRO 677 181.015 6.083 11.972 655 H LEU 678 H LEU 678 183.575 4.457 7.320 656 HA LEU 678 HA LEU 678 185.131 2.343 8.523 657 1HB LEU 678 1HB LEU 678 184.659 2.962 5.611 658 2HB LEU 678 2HB LEU 678 185.369 1.492 6.253 659 HG LEU 678 HG LEU 678 182.545 2.400 6.807 660 1HD1 LEU 678 1HD1 LEU 678 182.451 0.074 5.317 661 2HD1 LEU 678 2HD1 LEU 678 183.707 1.030 4.530 662 3HD1 LEU 678 3HD1 LEU 678 182.091 1.704 4.744 663 1HD2 LEU 678 1HD2 LEU 678 182.624 0.891 8.436 664 2HD2 LEU 678 2HD2 LEU 678 184.241 0.365 7.955 665 3HD2 LEU 678 3HD2 LEU 678 182.818 -0.349 7.196 666 HA PRO 679 HA PRO 679 188.371 5.125 5.798 667 1HB PRO 679 1HB PRO 679 187.589 7.415 7.569 668 2HB PRO 679 2HB PRO 679 188.301 7.443 5.950 669 1HG PRO 679 1HG PRO 679 185.697 7.856 6.276 670 2HG PRO 679 2HG PRO 679 186.297 6.892 4.914 671 1HD PRO 679 1HD PRO 679 184.905 6.018 7.383 672 2HD PRO 679 2HD PRO 679 184.919 5.276 5.771 673 H GLY 680 H GLY 680 190.095 4.175 6.666 674 1HA GLY 680 1HA GLY 680 191.960 4.380 8.171 675 2HA GLY 680 2HA GLY 680 190.839 4.897 9.422 676 H ALA 681 H ALA 681 189.117 2.540 8.187 677 HA ALA 681 HA ALA 681 190.142 0.576 10.086 678 1HB ALA 681 1HB ALA 681 187.724 -0.231 8.750 679 2HB ALA 681 2HB ALA 681 187.574 1.414 9.366 680 3HB ALA 681 3HB ALA 681 188.004 0.102 10.459 681 H THR 682 H THR 682 191.011 -1.337 9.525 682 HA THR 682 HA THR 682 191.583 -1.787 6.714 683 HB THR 682 HB THR 682 193.454 -2.044 8.162 684 HG1 THR 682 HG1 THR 682 194.038 -3.767 7.153 685 1HG2 THR 682 1HG2 THR 682 193.459 -3.846 9.925 686 2HG2 THR 682 2HG2 THR 682 191.701 -3.837 9.802 687 3HG2 THR 682 3HG2 THR 682 192.557 -2.378 10.301 688 H ASN 683 H ASN 683 191.688 -4.330 6.225 689 HA ASN 683 HA ASN 683 189.133 -5.179 5.700 690 1HB ASN 683 1HB ASN 683 190.106 -7.437 5.359 691 2HB ASN 683 2HB ASN 683 191.058 -6.164 4.602 692 1HD2 ASN 683 1HD2 ASN 683 190.935 -8.557 7.092 693 2HD2 ASN 683 2HD2 ASN 683 192.595 -8.456 7.562 694 H GLU 684 H GLU 684 191.159 -6.124 8.469 695 HA GLU 684 HA GLU 684 189.281 -7.881 9.616 696 1HB GLU 684 1HB GLU 684 190.625 -7.606 11.696 697 2HB GLU 684 2HB GLU 684 191.590 -8.006 10.281 698 1HG GLU 684 1HG GLU 684 192.442 -5.828 10.112 699 2HG GLU 684 2HG GLU 684 191.222 -5.178 11.206 700 H GLU 685 H GLU 685 189.797 -4.421 9.965 701 HA GLU 685 HA GLU 685 188.079 -4.019 12.162 702 1HB GLU 685 1HB GLU 685 189.725 -2.416 10.650 703 2HB GLU 685 2HB GLU 685 188.127 -1.852 10.182 704 1HG GLU 685 1HG GLU 685 187.678 -0.982 12.223 705 2HG GLU 685 2HG GLU 685 188.636 -2.193 13.074 706 H VAL 686 H VAL 686 187.496 -3.369 8.712 707 HA VAL 686 HA VAL 686 184.801 -2.872 8.782 708 HB VAL 686 HB VAL 686 186.351 -4.339 6.644 709 1HG1 VAL 686 1HG1 VAL 686 184.563 -3.765 5.117 710 2HG1 VAL 686 2HG1 VAL 686 183.669 -2.980 6.419 711 3HG1 VAL 686 3HG1 VAL 686 183.928 -4.724 6.454 712 1HG2 VAL 686 1HG2 VAL 686 186.603 -2.218 5.579 713 2HG2 VAL 686 2HG2 VAL 686 187.119 -2.037 7.256 714 3HG2 VAL 686 3HG2 VAL 686 185.538 -1.440 6.751 715 H TYR 687 H TYR 687 186.431 -6.011 8.623 716 HA TYR 687 HA TYR 687 184.329 -7.717 8.207 717 1HB TYR 687 1HB TYR 687 186.688 -8.051 10.068 718 2HB TYR 687 2HB TYR 687 185.573 -9.353 9.684 719 HD1 TYR 687 HD1 TYR 687 185.546 -7.839 6.697 720 HD2 TYR 687 HD2 TYR 687 188.347 -9.819 9.210 721 HE1 TYR 687 HE1 TYR 687 186.896 -8.408 4.726 722 HE2 TYR 687 HE2 TYR 687 189.707 -10.395 7.244 723 HH TYR 687 HH TYR 687 189.146 -9.021 4.151 724 H ASN 688 H ASN 688 185.336 -6.286 11.278 725 HA ASN 688 HA ASN 688 183.310 -7.532 12.832 726 1HB ASN 688 1HB ASN 688 184.959 -5.051 13.362 727 2HB ASN 688 2HB ASN 688 183.922 -5.833 14.552 728 1HD2 ASN 688 1HD2 ASN 688 186.781 -5.388 14.635 729 2HD2 ASN 688 2HD2 ASN 688 187.514 -6.945 14.788 730 H ILE 689 H ILE 689 183.530 -4.489 11.085 731 HA ILE 689 HA ILE 689 181.220 -3.258 12.121 732 HB ILE 689 HB ILE 689 182.730 -2.925 9.540 733 1HG1 ILE 689 1HG1 ILE 689 183.047 -0.616 10.567 734 2HG1 ILE 689 2HG1 ILE 689 182.350 -1.282 12.040 735 1HG2 ILE 689 1HG2 ILE 689 180.642 -2.345 8.738 736 2HG2 ILE 689 2HG2 ILE 689 181.249 -0.798 9.331 737 3HG2 ILE 689 3HG2 ILE 689 180.100 -1.723 10.297 738 1HD1 ILE 689 1HD1 ILE 689 184.847 -2.247 10.668 739 2HD1 ILE 689 2HD1 ILE 689 184.151 -2.925 12.139 740 3HD1 ILE 689 3HD1 ILE 689 184.768 -1.274 12.136 741 H ILE 690 H ILE 690 181.587 -4.711 8.888 742 HA ILE 690 HA ILE 690 178.919 -4.787 8.208 743 HB ILE 690 HB ILE 690 181.038 -6.777 7.390 744 1HG1 ILE 690 1HG1 ILE 690 180.270 -4.036 6.400 745 2HG1 ILE 690 2HG1 ILE 690 181.864 -4.634 6.840 746 1HG2 ILE 690 1HG2 ILE 690 178.717 -7.495 6.906 747 2HG2 ILE 690 2HG2 ILE 690 179.662 -7.200 5.446 748 3HG2 ILE 690 3HG2 ILE 690 178.477 -6.009 5.985 749 1HD1 ILE 690 1HD1 ILE 690 180.548 -4.620 4.287 750 2HD1 ILE 690 2HD1 ILE 690 181.056 -6.248 4.725 751 3HD1 ILE 690 3HD1 ILE 690 182.232 -4.935 4.683 752 H LEU 691 H LEU 691 180.802 -7.481 9.630 753 HA LEU 691 HA LEU 691 178.773 -9.339 9.824 754 1HB LEU 691 1HB LEU 691 181.251 -8.817 11.383 755 2HB LEU 691 2HB LEU 691 180.101 -9.965 12.036 756 HG LEU 691 HG LEU 691 180.456 -11.500 10.352 757 1HD1 LEU 691 1HD1 LEU 691 181.571 -9.291 8.631 758 2HD1 LEU 691 2HD1 LEU 691 179.980 -10.035 8.470 759 3HD1 LEU 691 3HD1 LEU 691 181.434 -10.986 8.166 760 1HD2 LEU 691 1HD2 LEU 691 182.890 -11.658 9.993 761 2HD2 LEU 691 2HD2 LEU 691 182.471 -11.306 11.669 762 3HD2 LEU 691 3HD2 LEU 691 183.065 -10.020 10.618 763 H GLU 692 H GLU 692 179.684 -6.896 12.213 764 HA GLU 692 HA GLU 692 177.705 -7.539 14.108 765 1HB GLU 692 1HB GLU 692 179.392 -5.127 13.569 766 2HB GLU 692 2HB GLU 692 178.077 -5.012 14.730 767 1HG GLU 692 1HG GLU 692 179.274 -7.267 15.585 768 2HG GLU 692 2HG GLU 692 180.659 -6.403 14.921 769 H SER 693 H SER 693 177.581 -5.764 11.139 770 HA SER 693 HA SER 693 174.967 -4.632 11.789 771 1HB SER 693 1HB SER 693 175.205 -3.371 9.700 772 2HB SER 693 2HB SER 693 176.622 -3.157 10.728 773 HG SER 693 HG SER 693 176.450 -5.021 8.595 774 H LYS 694 H LYS 694 176.245 -7.391 10.281 775 HA LYS 694 HA LYS 694 174.298 -7.731 8.238 776 1HB LYS 694 1HB LYS 694 175.153 -9.934 7.970 777 2HB LYS 694 2HB LYS 694 176.524 -8.903 8.351 778 1HG LYS 694 1HG LYS 694 177.058 -10.221 10.040 779 2HG LYS 694 2HG LYS 694 175.490 -9.921 10.789 780 1HD LYS 694 1HD LYS 694 174.636 -11.895 10.094 781 2HD LYS 694 2HD LYS 694 175.487 -11.837 8.549 782 1HE LYS 694 1HE LYS 694 177.602 -12.268 9.991 783 2HE LYS 694 2HE LYS 694 176.450 -12.817 11.208 784 1HZ LYS 694 1HZ LYS 694 177.435 -14.506 9.550 785 2HZ LYS 694 2HZ LYS 694 176.304 -13.873 8.463 786 3HZ LYS 694 3HZ LYS 694 175.783 -14.582 9.908 787 H SER 695 H SER 695 174.148 -8.032 11.624 788 HA SER 695 HA SER 695 171.920 -9.909 11.567 789 1HB SER 695 1HB SER 695 173.463 -8.604 13.809 790 2HB SER 695 2HB SER 695 172.008 -9.558 14.093 791 HG SER 695 HG SER 695 173.282 -11.217 14.026 792 H GLU 696 H GLU 696 172.441 -6.541 11.489 793 HA GLU 696 HA GLU 696 170.084 -5.710 12.850 794 1HB GLU 696 1HB GLU 696 172.109 -4.403 11.094 795 2HB GLU 696 2HB GLU 696 170.575 -3.582 11.348 796 1HG GLU 696 1HG GLU 696 172.047 -4.587 13.723 797 2HG GLU 696 2HG GLU 696 172.651 -3.149 12.901 798 HA PRO 697 HA PRO 697 166.981 -6.602 9.824 799 1HB PRO 697 1HB PRO 697 165.690 -4.085 10.707 800 2HB PRO 697 2HB PRO 697 165.055 -5.733 10.697 801 1HG PRO 697 1HG PRO 697 165.765 -4.543 12.980 802 2HG PRO 697 2HG PRO 697 166.054 -6.272 12.714 803 1HD PRO 697 1HD PRO 697 167.976 -3.983 12.583 804 2HD PRO 697 2HD PRO 697 168.212 -5.622 13.227 805 H GLN 698 H GLN 698 168.713 -3.602 9.898 806 HA GLN 698 HA GLN 698 168.286 -3.309 7.029 807 1HB GLN 698 1HB GLN 698 166.569 -1.881 8.019 808 2HB GLN 698 2HB GLN 698 167.782 -1.073 9.004 809 1HG GLN 698 1HG GLN 698 168.805 -0.112 7.066 810 2HG GLN 698 2HG GLN 698 167.764 -1.050 5.995 811 1HE2 GLN 698 1HE2 GLN 698 167.516 1.236 8.699 812 2HE2 GLN 698 2HE2 GLN 698 166.187 2.127 8.047 813 H VAL 699 H VAL 699 169.793 -1.754 6.044 814 HA VAL 699 HA VAL 699 172.213 -1.254 7.626 815 HB VAL 699 HB VAL 699 172.104 -2.694 4.973 816 1HG1 VAL 699 1HG1 VAL 699 174.552 -2.620 4.945 817 2HG1 VAL 699 2HG1 VAL 699 174.538 -1.586 6.376 818 3HG1 VAL 699 3HG1 VAL 699 173.858 -0.997 4.856 819 1HG2 VAL 699 1HG2 VAL 699 173.723 -3.643 7.262 820 2HG2 VAL 699 2HG2 VAL 699 172.803 -4.555 6.065 821 3HG2 VAL 699 3HG2 VAL 699 171.971 -3.773 7.408 822 H GLU 700 H GLU 700 173.468 0.477 6.925 823 HA GLU 700 HA GLU 700 172.356 2.102 4.740 824 1HB GLU 700 1HB GLU 700 172.893 4.132 6.074 825 2HB GLU 700 2HB GLU 700 171.626 3.146 6.792 826 1HG GLU 700 1HG GLU 700 173.962 2.188 7.924 827 2HG GLU 700 2HG GLU 700 174.194 3.934 7.850 828 H ILE 701 H ILE 701 173.869 2.066 3.197 829 HA ILE 701 HA ILE 701 176.671 2.413 4.028 830 HB ILE 701 HB ILE 701 177.083 1.335 1.657 831 1HG1 ILE 701 1HG1 ILE 701 174.387 0.235 2.481 832 2HG1 ILE 701 2HG1 ILE 701 174.771 1.097 0.996 833 1HG2 ILE 701 1HG2 ILE 701 176.438 -0.152 4.193 834 2HG2 ILE 701 2HG2 ILE 701 178.010 0.439 3.654 835 3HG2 ILE 701 3HG2 ILE 701 177.225 -0.888 2.796 836 1HD1 ILE 701 1HD1 ILE 701 174.512 -1.397 0.801 837 2HD1 ILE 701 2HD1 ILE 701 176.018 -1.534 1.713 838 3HD1 ILE 701 3HD1 ILE 701 176.006 -0.720 0.148 839 H ILE 702 H ILE 702 177.879 3.921 3.052 840 HA ILE 702 HA ILE 702 176.572 5.555 0.976 841 HB ILE 702 HB ILE 702 178.634 6.621 2.890 842 1HG1 ILE 702 1HG1 ILE 702 176.841 5.803 4.299 843 2HG1 ILE 702 2HG1 ILE 702 176.731 7.557 4.212 844 1HG2 ILE 702 1HG2 ILE 702 178.186 8.656 2.013 845 2HG2 ILE 702 2HG2 ILE 702 176.478 8.295 1.766 846 3HG2 ILE 702 3HG2 ILE 702 177.679 7.692 0.625 847 1HD1 ILE 702 1HD1 ILE 702 174.592 6.114 4.011 848 2HD1 ILE 702 2HD1 ILE 702 175.120 5.875 2.346 849 3HD1 ILE 702 3HD1 ILE 702 174.807 7.502 2.947 850 H VAL 703 H VAL 703 177.840 6.300 -0.730 851 HA VAL 703 HA VAL 703 180.574 5.220 -0.869 852 HB VAL 703 HB VAL 703 180.150 4.827 -3.332 853 1HG1 VAL 703 1HG1 VAL 703 180.300 3.026 -1.668 854 2HG1 VAL 703 2HG1 VAL 703 179.182 2.637 -2.975 855 3HG1 VAL 703 3HG1 VAL 703 178.558 3.140 -1.404 856 1HG2 VAL 703 1HG2 VAL 703 177.780 6.116 -2.846 857 2HG2 VAL 703 2HG2 VAL 703 177.291 4.422 -2.897 858 3HG2 VAL 703 3HG2 VAL 703 178.142 5.137 -4.267 859 H SER 704 H SER 704 181.615 6.138 -3.016 860 HA SER 704 HA SER 704 180.874 8.896 -3.531 861 1HB SER 704 1HB SER 704 183.507 8.152 -2.242 862 2HB SER 704 2HB SER 704 183.184 9.715 -2.989 863 HG SER 704 HG SER 704 181.770 8.573 -0.807 864 H ARG 705 H ARG 705 181.220 9.374 -5.602 865 HA ARG 705 HA ARG 705 183.069 7.659 -7.126 866 1HB ARG 705 1HB ARG 705 180.591 7.525 -7.664 867 2HB ARG 705 2HB ARG 705 180.720 9.175 -8.257 868 1HG ARG 705 1HG ARG 705 181.451 8.452 -10.215 869 2HG ARG 705 2HG ARG 705 182.788 7.603 -9.437 870 1HD ARG 705 1HD ARG 705 181.248 6.177 -10.833 871 2HD ARG 705 2HD ARG 705 181.506 5.631 -9.176 872 HE ARG 705 HE ARG 705 179.285 5.975 -8.756 873 1HH1 ARG 705 1HH1 ARG 705 180.142 7.654 -11.693 874 2HH1 ARG 705 2HH1 ARG 705 178.506 8.070 -12.081 875 1HH2 ARG 705 1HH2 ARG 705 177.134 6.522 -9.264 876 2HH2 ARG 705 2HH2 ARG 705 176.798 7.429 -10.699 877 H GLU 943 H GLU 943 189.193 -10.578 -5.967 878 HA GLU 943 HA GLU 943 190.263 -11.849 -3.551 879 1HB GLU 943 1HB GLU 943 191.973 -10.449 -4.757 880 2HB GLU 943 2HB GLU 943 190.886 -9.078 -4.589 881 1HG GLU 943 1HG GLU 943 191.782 -8.652 -2.617 882 2HG GLU 943 2HG GLU 943 191.154 -10.189 -2.024 883 H GLU 944 H GLU 944 188.309 -11.996 -2.534 884 HA GLU 944 HA GLU 944 186.589 -9.625 -2.465 885 1HB GLU 944 1HB GLU 944 184.862 -11.093 -1.587 886 2HB GLU 944 2HB GLU 944 185.540 -11.775 -3.059 887 1HG GLU 944 1HG GLU 944 186.998 -12.757 -0.809 888 2HG GLU 944 2HG GLU 944 185.272 -12.989 -0.537 889 H GLY 945 H GLY 945 185.355 -9.544 -0.200 890 1HA GLY 945 1HA GLY 945 187.363 -9.788 1.943 891 2HA GLY 945 2HA GLY 945 186.521 -8.268 1.690 892 H ILE 946 H ILE 946 183.947 -8.902 1.354 893 HA ILE 946 HA ILE 946 183.159 -10.780 3.439 894 HB ILE 946 HB ILE 946 181.879 -8.089 3.603 895 1HG1 ILE 946 1HG1 ILE 946 184.491 -8.776 4.980 896 2HG1 ILE 946 2HG1 ILE 946 184.320 -7.627 3.653 897 1HG2 ILE 946 1HG2 ILE 946 182.398 -9.232 6.122 898 2HG2 ILE 946 2HG2 ILE 946 181.891 -10.552 5.068 899 3HG2 ILE 946 3HG2 ILE 946 180.858 -9.138 5.268 900 1HD1 ILE 946 1HD1 ILE 946 184.152 -7.079 6.356 901 2HD1 ILE 946 2HD1 ILE 946 182.486 -7.047 5.794 902 3HD1 ILE 946 3HD1 ILE 946 183.699 -6.018 5.029 903 H TRP 947 H TRP 947 180.879 -11.209 3.468 904 HA TRP 947 HA TRP 947 179.708 -10.895 0.804 905 1HB TRP 947 1HB TRP 947 179.692 -13.004 2.791 906 2HB TRP 947 2HB TRP 947 178.053 -12.582 2.300 907 HD1 TRP 947 HD1 TRP 947 180.209 -15.161 1.484 908 HE1 TRP 947 HE1 TRP 947 180.147 -15.857 -0.993 909 HE3 TRP 947 HE3 TRP 947 177.990 -10.993 -0.479 910 HZ2 TRP 947 HZ2 TRP 947 179.272 -14.779 -3.456 911 HZ3 TRP 947 HZ3 TRP 947 177.574 -10.905 -2.902 912 HH2 TRP 947 HH2 TRP 947 178.203 -12.762 -4.358 913 H ALA 948 H ALA 948 178.282 -9.351 0.499 914 HA ALA 948 HA ALA 948 176.349 -8.739 2.602 915 1HB ALA 948 1HB ALA 948 176.723 -6.343 2.407 916 2HB ALA 948 2HB ALA 948 178.019 -6.625 1.244 917 3HB ALA 948 3HB ALA 948 178.201 -7.161 2.914
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