NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471091 | 2kvb | 16773 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 578 1HT GLU 578 -18.271 3.309 -16.791 2 H2 GLU 578 2HT GLU 578 -17.059 3.408 -17.955 3 H3 GLU 578 3HT GLU 578 -16.868 4.131 -16.428 4 HA GLU 578 HA GLU 578 -17.183 1.244 -16.849 5 HB2 GLU 578 2HB GLU 578 -14.714 2.849 -16.147 6 HB3 GLU 578 1HB GLU 578 -14.805 1.099 -16.137 7 HG2 GLU 578 2HG GLU 578 -15.332 1.187 -18.578 8 HG3 GLU 578 1HG GLU 578 -15.033 2.921 -18.521 9 H ALA 579 H ALA 579 -17.155 0.050 -14.933 10 HA ALA 579 HA ALA 579 -17.676 1.686 -12.559 11 HB1 ALA 579 1HB ALA 579 -18.773 -1.046 -13.220 12 HB2 ALA 579 2HB ALA 579 -19.650 0.475 -13.370 13 HB3 ALA 579 3HB ALA 579 -19.147 -0.096 -11.781 14 H GLU 580 H GLU 580 -16.874 0.999 -10.602 15 HA GLU 580 HA GLU 580 -14.340 -0.285 -10.706 16 HB2 GLU 580 2HB GLU 580 -15.974 0.623 -8.322 17 HB3 GLU 580 1HB GLU 580 -14.280 0.153 -8.277 18 HG2 GLU 580 2HG GLU 580 -13.688 2.012 -9.701 19 HG3 GLU 580 1HG GLU 580 -15.379 2.465 -9.863 20 H ALA 581 H ALA 581 -14.564 -2.338 -11.308 21 HA ALA 581 HA ALA 581 -14.737 -4.550 -11.150 22 HB1 ALA 581 1HB ALA 581 -15.173 -5.680 -9.036 23 HB2 ALA 581 2HB ALA 581 -15.771 -4.177 -8.329 24 HB3 ALA 581 3HB ALA 581 -14.073 -4.326 -8.772 25 H GLU 582 H GLU 582 -16.217 -6.267 -11.367 26 HA GLU 582 HA GLU 582 -18.862 -5.348 -12.152 27 HB2 GLU 582 2HB GLU 582 -17.596 -8.091 -12.320 28 HB3 GLU 582 1HB GLU 582 -19.083 -7.590 -13.109 29 HG2 GLU 582 2HG GLU 582 -17.846 -6.007 -14.471 30 HG3 GLU 582 1HG GLU 582 -16.350 -6.466 -13.662 31 H PHE 583 H PHE 583 -17.348 -6.500 -9.523 32 HA PHE 583 HA PHE 583 -17.879 -7.103 -7.479 33 HB2 PHE 583 2HB PHE 583 -19.662 -5.391 -7.556 34 HB3 PHE 583 1HB PHE 583 -20.771 -6.577 -8.225 35 HD1 PHE 583 2HD PHE 583 -18.769 -5.747 -5.225 36 HD2 PHE 583 1HD PHE 583 -22.013 -7.985 -6.802 37 HE1 PHE 583 2HE PHE 583 -19.441 -6.369 -2.945 38 HE2 PHE 583 1HE PHE 583 -22.692 -8.609 -4.525 39 HZ PHE 583 HZ PHE 583 -21.406 -7.803 -2.592 40 H LEU 584 H LEU 584 -17.022 -9.078 -8.115 41 HA LEU 584 HA LEU 584 -18.971 -11.188 -7.640 42 HB2 LEU 584 2HB LEU 584 -16.511 -11.385 -9.404 43 HB3 LEU 584 1HB LEU 584 -17.363 -12.784 -8.803 44 HG LEU 584 HG LEU 584 -19.393 -11.913 -10.069 45 HD13 LEU 584 1HD LEU 584 -18.983 -10.441 -11.955 46 HD21 LEU 584 2HD LEU 584 -18.644 -12.834 -12.182 47 H SER 585 H SER 585 -18.752 -11.749 -5.676 48 HA SER 585 HA SER 585 -17.992 -12.117 -3.666 49 HB2 SER 585 2HB SER 585 -15.694 -13.340 -5.169 50 HB3 SER 585 1HB SER 585 -15.984 -13.578 -3.440 51 HG SER 585 HG SER 585 -17.263 -14.609 -5.636 52 H ARG 586 H ARG 586 -17.917 -9.915 -3.295 53 HA ARG 586 HA ARG 586 -15.236 -9.087 -2.505 54 HB2 ARG 586 2HB ARG 586 -17.496 -7.315 -3.403 55 HB3 ARG 586 1HB ARG 586 -16.163 -6.718 -2.437 56 HG2 ARG 586 2HG ARG 586 -14.643 -7.442 -4.261 57 HG3 ARG 586 1HG ARG 586 -16.078 -7.782 -5.250 58 HD2 ARG 586 2HD ARG 586 -15.214 -5.520 -5.709 59 HD3 ARG 586 1HD ARG 586 -16.812 -5.455 -4.958 60 HE ARG 586 HE ARG 586 -14.320 -5.067 -3.419 61 HH12 ARG 586 1HH ARG 586 -17.630 -2.724 -3.107 62 HH21 ARG 586 2HH ARG 586 -15.829 -2.483 -1.537 63 H THR 587 H THR 587 -15.065 -9.381 -0.488 64 HA THR 587 HA THR 587 -17.400 -8.897 1.217 65 HB THR 587 HB THR 587 -14.703 -10.105 1.875 66 HG1 THR 587 1HG THR 587 -15.457 -11.902 1.212 67 HG21 THR 587 2HG THR 587 -17.288 -10.086 3.445 68 H GLU 588 H GLU 588 -17.452 -6.816 1.899 69 HA GLU 588 HA GLU 588 -14.896 -5.412 2.103 70 HB2 GLU 588 2HB GLU 588 -16.591 -4.532 0.484 71 HB3 GLU 588 1HB GLU 588 -17.667 -4.242 1.840 72 HG2 GLU 588 2HG GLU 588 -15.989 -2.696 2.792 73 HG3 GLU 588 1HG GLU 588 -14.994 -2.944 1.357 74 H GLY 589 H GLY 589 -14.236 -4.763 3.992 75 HA2 GLY 589 2HA GLY 589 -16.023 -5.062 6.288 76 HA3 GLY 589 1HA GLY 589 -14.264 -4.935 6.351 77 H ASP 590 H ASP 590 -14.948 -3.338 8.003 78 HA ASP 590 HA ASP 590 -15.386 -0.730 6.695 79 HB2 ASP 590 2HB ASP 590 -17.282 -1.270 8.181 80 HB3 ASP 590 1HB ASP 590 -16.162 -1.475 9.525 81 H ASN 591 H ASN 591 -13.894 -2.348 9.406 82 HA ASN 591 HA ASN 591 -11.892 -0.241 9.500 83 HB2 ASN 591 2HB ASN 591 -12.926 -1.077 11.647 84 HB3 ASN 591 1HB ASN 591 -12.242 -2.660 11.318 85 HD21 ASN 591 2HD ASN 591 -9.613 -1.640 13.384 86 H CYS 592 H CYS 592 -9.516 -1.274 9.809 87 HA CYS 592 HA CYS 592 -9.036 -2.675 7.446 88 HB2 CYS 592 2HB CYS 592 -6.651 -2.526 8.373 89 HB3 CYS 592 1HB CYS 592 -7.533 -1.077 7.894 90 H THR 593 H THR 593 -10.580 -4.396 9.039 91 HA THR 593 HA THR 593 -8.705 -6.627 9.031 92 HB THR 593 HB THR 593 -10.196 -7.659 10.814 93 HG1 THR 593 1HG THR 593 -11.084 -5.502 12.000 94 HG21 THR 593 2HG THR 593 -8.730 -5.138 11.604 95 H VAL 594 H VAL 594 -9.610 -8.442 7.969 96 HA VAL 594 HA VAL 594 -12.307 -8.004 7.041 97 HB VAL 594 HB VAL 594 -10.788 -7.220 5.284 98 HG13 VAL 594 1HG VAL 594 -9.820 -10.046 5.103 99 HG21 VAL 594 2HG VAL 594 -12.991 -8.002 4.685 100 H PHE 595 H PHE 595 -13.609 -9.695 7.175 101 HA PHE 595 HA PHE 595 -12.350 -12.323 7.182 102 HB2 PHE 595 2HB PHE 595 -13.258 -11.994 9.418 103 HB3 PHE 595 1HB PHE 595 -14.796 -11.456 8.748 104 HD1 PHE 595 2HD PHE 595 -12.640 -14.414 8.003 105 HD2 PHE 595 1HD PHE 595 -16.429 -12.989 9.284 106 HE1 PHE 595 2HE PHE 595 -13.475 -16.700 8.002 107 HE2 PHE 595 1HE PHE 595 -17.291 -15.294 9.292 108 HZ PHE 595 HZ PHE 595 -15.818 -17.156 8.661 109 H ASP 596 H ASP 596 -12.888 -13.571 5.621 110 HA ASP 596 HA ASP 596 -15.057 -12.660 3.838 111 HB2 ASP 596 2HB ASP 596 -12.695 -12.768 2.982 112 HB3 ASP 596 1HB ASP 596 -12.746 -14.486 3.246 113 H SER 597 H SER 597 -16.812 -13.793 3.810 114 HA SER 597 HA SER 597 -17.037 -16.145 5.307 115 HB2 SER 597 2HB SER 597 -19.411 -16.107 4.312 116 HB3 SER 597 1HB SER 597 -18.912 -14.762 5.340 117 HG SER 597 HG SER 597 -18.701 -14.686 2.489 118 H GLN 598 H GLN 598 -16.285 -15.657 1.966 119 HA GLN 598 HA GLN 598 -17.155 -18.298 1.145 120 HB2 GLN 598 2HB GLN 598 -15.249 -16.435 -0.282 121 HB3 GLN 598 1HB GLN 598 -16.038 -17.837 -0.960 122 HG2 GLN 598 2HG GLN 598 -17.064 -15.875 -1.857 123 HG3 GLN 598 1HG GLN 598 -18.212 -16.604 -0.739 124 HE21 GLN 598 2HE GLN 598 -16.556 -12.984 0.007 125 H ALA 599 H ALA 599 -14.226 -16.575 1.908 126 HA ALA 599 HA ALA 599 -12.453 -18.759 1.364 127 HB1 ALA 599 1HB ALA 599 -10.732 -17.184 2.015 128 HB2 ALA 599 2HB ALA 599 -11.934 -16.258 2.887 129 HB3 ALA 599 3HB ALA 599 -12.004 -16.279 1.136 130 H GLY 600 H GLY 600 -14.140 -17.553 4.146 131 HA2 GLY 600 2HA GLY 600 -14.400 -18.485 6.255 132 HA3 GLY 600 1HA GLY 600 -13.570 -19.915 5.657 133 H PHE 601 H PHE 601 -11.910 -16.935 5.350 134 HA PHE 601 HA PHE 601 -10.345 -17.518 7.758 135 HB2 PHE 601 2HB PHE 601 -9.231 -16.642 5.080 136 HB3 PHE 601 1HB PHE 601 -8.304 -16.723 6.565 137 HD1 PHE 601 2HD PHE 601 -8.124 -19.050 7.674 138 HD2 PHE 601 1HD PHE 601 -9.329 -18.437 3.650 139 HE1 PHE 601 2HE PHE 601 -7.524 -21.382 7.140 140 HE2 PHE 601 1HE PHE 601 -8.730 -20.760 3.107 141 HZ PHE 601 HZ PHE 601 -7.830 -22.235 4.856 142 H SER 602 H SER 602 -9.685 -15.784 8.925 143 HA SER 602 HA SER 602 -10.728 -13.186 8.082 144 HB2 SER 602 2HB SER 602 -10.731 -12.697 10.540 145 HB3 SER 602 1HB SER 602 -11.808 -14.016 10.080 146 HG SER 602 HG SER 602 -9.159 -14.408 11.006 147 H PHE 603 H PHE 603 -9.285 -11.517 7.900 148 HA PHE 603 HA PHE 603 -6.528 -12.121 8.666 149 HB2 PHE 603 2HB PHE 603 -7.479 -10.856 6.089 150 HB3 PHE 603 1HB PHE 603 -5.796 -10.921 6.598 151 HD1 PHE 603 1HD PHE 603 -4.683 -13.133 6.811 152 HD2 PHE 603 2HD PHE 603 -8.541 -12.760 5.017 153 HE1 PHE 603 1HE PHE 603 -4.412 -15.327 5.753 154 HE2 PHE 603 2HE PHE 603 -8.246 -14.954 3.972 155 HZ PHE 603 HZ PHE 603 -6.195 -16.236 4.335 156 H ASP 604 H ASP 604 -5.511 -10.618 9.771 157 HA ASP 604 HA ASP 604 -6.812 -8.000 10.168 158 HB2 ASP 604 2HB ASP 604 -4.666 -9.341 11.851 159 HB3 ASP 604 1HB ASP 604 -5.437 -7.810 12.203 160 H LEU 605 H LEU 605 -5.884 -6.438 8.967 161 HA LEU 605 HA LEU 605 -3.065 -6.826 8.341 162 HB2 LEU 605 2HB LEU 605 -5.093 -5.158 6.859 163 HB3 LEU 605 1HB LEU 605 -3.411 -5.333 6.408 164 HG LEU 605 HG LEU 605 -5.530 -7.483 6.356 165 HD13 LEU 605 1HD LEU 605 -3.826 -6.325 4.211 166 HD21 LEU 605 2HD LEU 605 -3.798 -8.983 5.502 167 H THR 606 H THR 606 -4.224 -5.751 10.702 168 HA THR 606 HA THR 606 -3.820 -2.998 10.855 169 HB THR 606 HB THR 606 -3.880 -3.476 13.366 170 HG1 THR 606 1HG THR 606 -4.163 -5.532 13.975 171 HG21 THR 606 2HG THR 606 -6.275 -3.984 13.294 172 HA PRO 607 HA PRO 607 0.604 -4.141 12.755 173 HB2 PRO 607 2HB PRO 607 1.269 -6.446 10.991 174 HB3 PRO 607 1HB PRO 607 1.647 -6.201 12.700 175 HG2 PRO 607 2HG PRO 607 -0.212 -7.944 11.978 176 HG3 PRO 607 1HG PRO 607 -0.443 -6.916 13.404 177 HD2 PRO 607 2HD PRO 607 -1.591 -6.626 10.653 178 HD3 PRO 607 1HD PRO 607 -2.389 -6.419 12.228 179 H LEU 608 H LEU 608 -0.595 -4.441 9.580 180 HA LEU 608 HA LEU 608 1.759 -3.603 8.192 181 HB2 LEU 608 2HB LEU 608 -1.096 -3.983 7.362 182 HB3 LEU 608 1HB LEU 608 0.110 -3.372 6.230 183 HG LEU 608 HG LEU 608 1.313 -5.603 6.545 184 HD13 LEU 608 1HD LEU 608 -1.192 -6.344 7.997 185 HD21 LEU 608 2HD LEU 608 -0.082 -5.177 4.618 186 H THR 609 H THR 609 -0.686 -2.034 9.920 187 HA THR 609 HA THR 609 -0.559 0.533 8.581 188 HB THR 609 HB THR 609 -1.447 -0.126 11.410 189 HG1 THR 609 1HG THR 609 -2.876 -0.131 8.984 190 HG21 THR 609 2HG THR 609 -1.165 2.278 10.862 191 H LYS 610 H LYS 610 0.927 1.980 8.766 192 HA LYS 610 HA LYS 610 2.634 1.909 11.146 193 HB2 LYS 610 2HB LYS 610 3.537 2.387 8.316 194 HB3 LYS 610 1HB LYS 610 4.535 2.543 9.739 195 HG2 LYS 610 2HG LYS 610 4.223 0.121 10.160 196 HG3 LYS 610 1HG LYS 610 3.319 0.011 8.649 197 HD2 LYS 610 2HD LYS 610 5.537 -0.638 8.087 198 HD3 LYS 610 1HD LYS 610 5.353 1.032 7.539 199 HE2 LYS 610 2HE LYS 610 7.497 0.775 8.585 200 HE3 LYS 610 1HE LYS 610 6.484 1.803 9.593 201 HZ1 LYS 610 3HZ LYS 610 6.011 -0.195 10.982 202 HZ2 LYS 610 1HZ LYS 610 7.649 0.208 10.947 203 HZ3 LYS 610 2HZ LYS 610 7.081 -1.070 10.032 204 H LYS 611 H LYS 611 3.172 3.881 11.938 205 HA LYS 611 HA LYS 611 1.611 6.142 11.220 206 HB2 LYS 611 2HB LYS 611 2.593 5.539 13.499 207 HB3 LYS 611 1HB LYS 611 4.120 6.071 12.874 208 HG2 LYS 611 2HG LYS 611 3.115 7.854 14.177 209 HG3 LYS 611 1HG LYS 611 3.258 8.316 12.479 210 HD2 LYS 611 2HD LYS 611 0.886 7.781 12.132 211 HD3 LYS 611 1HD LYS 611 0.748 7.298 13.827 212 HE2 LYS 611 2HE LYS 611 1.337 9.571 14.509 213 HE3 LYS 611 1HE LYS 611 1.489 10.023 12.809 214 HZ1 LYS 611 3HZ LYS 611 -0.876 9.602 12.516 215 HZ2 LYS 611 1HZ LYS 611 -0.631 10.694 13.768 216 HZ3 LYS 611 2HZ LYS 611 -1.028 9.083 14.090 217 H ASP 612 H ASP 612 4.853 5.087 10.854 218 HA ASP 612 HA ASP 612 5.930 7.368 9.496 219 HB2 ASP 612 2HB ASP 612 7.389 5.845 10.694 220 HB3 ASP 612 1HB ASP 612 6.886 4.506 9.675 221 H ALA 613 H ALA 613 4.316 4.488 8.549 222 HA ALA 613 HA ALA 613 3.247 3.820 6.696 223 HB1 ALA 613 1HB ALA 613 2.430 6.092 6.537 224 HB2 ALA 613 2HB ALA 613 2.741 5.444 4.915 225 HB3 ALA 613 3HB ALA 613 3.874 6.563 5.663 226 H TYR 614 H TYR 614 3.515 3.663 4.174 227 HA TYR 614 HA TYR 614 6.216 2.612 3.789 228 HB2 TYR 614 2HB TYR 614 3.572 1.935 2.508 229 HB3 TYR 614 1HB TYR 614 5.113 1.265 1.988 230 HD1 TYR 614 2HD TYR 614 2.866 1.505 5.034 231 HD2 TYR 614 1HD TYR 614 5.922 -0.680 2.972 232 HE1 TYR 614 2HE TYR 614 2.694 -0.274 6.634 233 HE2 TYR 614 1HE TYR 614 5.722 -2.474 4.604 234 HH TYR 614 HH TYR 614 3.144 -2.606 6.792 235 H LYS 615 H LYS 615 7.351 3.055 1.880 236 HA LYS 615 HA LYS 615 6.133 5.066 0.144 237 HB2 LYS 615 2HB LYS 615 7.730 6.220 1.581 238 HB3 LYS 615 1HB LYS 615 9.019 5.151 1.118 239 HG2 LYS 615 2HG LYS 615 8.538 5.880 -1.248 240 HG3 LYS 615 1HG LYS 615 7.549 7.163 -0.557 241 HD2 LYS 615 2HD LYS 615 10.498 6.629 -0.090 242 HD3 LYS 615 1HD LYS 615 9.844 7.984 -1.013 243 HE2 LYS 615 2HE LYS 615 8.789 8.758 1.124 244 HE3 LYS 615 1HE LYS 615 9.660 7.461 1.945 245 HZ1 LYS 615 3HZ LYS 615 10.872 9.531 2.123 246 HZ2 LYS 615 1HZ LYS 615 10.865 9.701 0.442 247 HZ3 LYS 615 2HZ LYS 615 11.734 8.447 1.159 248 H VAL 616 H VAL 616 6.107 4.461 -1.813 249 HA VAL 616 HA VAL 616 8.023 2.475 -2.841 250 HB VAL 616 HB VAL 616 5.550 3.576 -4.123 251 HG13 VAL 616 1HG VAL 616 7.192 1.139 -4.802 252 HG21 VAL 616 2HG VAL 616 5.806 0.989 -2.588 253 H GLU 617 H GLU 617 9.444 3.207 -4.327 254 HA GLU 617 HA GLU 617 9.225 6.046 -5.073 255 HB2 GLU 617 2HB GLU 617 11.708 4.436 -4.491 256 HB3 GLU 617 1HB GLU 617 11.723 6.064 -5.154 257 HG2 GLU 617 2HG GLU 617 10.655 6.926 -3.166 258 HG3 GLU 617 1HG GLU 617 10.501 5.298 -2.515 259 H THR 618 H THR 618 9.477 6.656 -7.207 260 HA THR 618 HA THR 618 10.087 4.483 -9.046 261 HB THR 618 HB THR 618 8.611 5.660 -10.652 262 HG1 THR 618 1HG THR 618 7.361 7.396 -9.944 263 HG21 THR 618 2HG THR 618 7.606 3.932 -9.155 264 H ASP 619 H ASP 619 10.309 6.321 -11.258 265 HA ASP 619 HA ASP 619 12.963 7.177 -10.842 266 HB2 ASP 619 2HB ASP 619 12.204 6.552 -13.088 267 HB3 ASP 619 1HB ASP 619 11.059 7.894 -13.066 268 H LYS 620 H LYS 620 9.900 8.935 -10.997 269 HA LYS 620 HA LYS 620 11.366 11.247 -9.907 270 HB2 LYS 620 2HB LYS 620 9.306 11.245 -12.074 271 HB3 LYS 620 1HB LYS 620 9.812 12.706 -11.254 272 HG2 LYS 620 2HG LYS 620 12.056 12.453 -12.104 273 HG3 LYS 620 1HG LYS 620 11.652 10.885 -12.798 274 HD2 LYS 620 2HD LYS 620 10.319 13.477 -13.596 275 HD3 LYS 620 1HD LYS 620 11.704 12.761 -14.431 276 HE2 LYS 620 2HE LYS 620 9.059 11.351 -14.041 277 HE3 LYS 620 1HE LYS 620 9.505 12.255 -15.481 278 HZ1 LYS 620 3HZ LYS 620 11.169 9.992 -14.476 279 HZ2 LYS 620 1HZ LYS 620 11.243 10.786 -15.936 280 HZ3 LYS 620 2HZ LYS 620 9.941 9.780 -15.614 281 H TYR 621 H TYR 621 9.125 9.127 -8.992 282 HA TYR 621 HA TYR 621 7.764 11.176 -7.422 283 HB2 TYR 621 2HB TYR 621 6.362 8.923 -8.908 284 HB3 TYR 621 1HB TYR 621 5.594 10.028 -7.777 285 HD1 TYR 621 1HD TYR 621 7.386 9.910 -11.021 286 HD2 TYR 621 2HD TYR 621 4.694 12.066 -8.565 287 HE1 TYR 621 1HE TYR 621 6.951 11.435 -12.880 288 HE2 TYR 621 2HE TYR 621 4.241 13.610 -10.438 289 HH TYR 621 HH TYR 621 5.168 12.909 -13.600 290 H GLU 622 H GLU 622 6.785 10.267 -5.502 291 HA GLU 622 HA GLU 622 7.536 7.514 -4.953 292 HB2 GLU 622 2HB GLU 622 7.974 7.978 -2.645 293 HB3 GLU 622 1HB GLU 622 8.950 9.116 -3.557 294 HG2 GLU 622 2HG GLU 622 7.472 10.907 -3.067 295 HG3 GLU 622 1HG GLU 622 6.255 9.809 -2.433 296 H PHE 623 H PHE 623 6.009 6.488 -3.761 297 HA PHE 623 HA PHE 623 3.506 7.976 -3.410 298 HB2 PHE 623 2HB PHE 623 3.874 5.025 -3.997 299 HB3 PHE 623 1HB PHE 623 2.340 5.845 -3.742 300 HD1 PHE 623 1HD PHE 623 5.186 5.441 -6.050 301 HD2 PHE 623 2HD PHE 623 1.298 7.083 -5.508 302 HE1 PHE 623 1HE PHE 623 5.038 5.893 -8.446 303 HE2 PHE 623 2HE PHE 623 1.157 7.535 -7.905 304 HZ PHE 623 HZ PHE 623 3.037 6.931 -9.383 305 H HIS 624 H HIS 624 3.084 8.180 -1.306 306 HA HIS 624 HA HIS 624 4.295 6.240 0.510 307 HB2 HIS 624 2HB HIS 624 4.452 9.041 0.464 308 HB3 HIS 624 1HB HIS 624 3.163 8.681 1.596 309 HD1 HIS 624 1HD HIS 624 6.764 8.716 1.247 310 HD2 HIS 624 2HD HIS 624 3.966 7.110 3.828 311 HE1 HIS 624 1HE HIS 624 8.075 7.940 3.257 312 HE2 HIS 624 2HE HIS 624 6.321 7.340 4.935 313 H ILE 625 H ILE 625 2.835 4.938 1.446 314 HA ILE 625 HA ILE 625 0.040 5.781 1.590 315 HB ILE 625 HB ILE 625 -0.781 3.679 0.659 316 HG12 ILE 625 1HG ILE 625 2.132 3.013 0.306 317 HG23 ILE 625 2HG ILE 625 -0.185 3.939 -1.712 318 HD11 ILE 625 1HD ILE 625 -0.272 1.374 -0.553 319 H ASN 626 H ASN 626 -1.138 4.524 3.050 320 HA ASN 626 HA ASN 626 0.445 2.768 4.795 321 HB2 ASN 626 2HB ASN 626 0.284 5.017 5.837 322 HB3 ASN 626 1HB ASN 626 -1.467 4.908 5.760 323 HD21 ASN 626 2HD ASN 626 -1.308 3.716 9.004 324 H VAL 627 H VAL 627 -0.713 1.014 5.558 325 HA VAL 627 HA VAL 627 -3.358 0.545 4.451 326 HB VAL 627 HB VAL 627 -1.620 -1.154 6.279 327 HG13 VAL 627 1HG VAL 627 -3.301 -2.925 5.961 328 HG21 VAL 627 2HG VAL 627 -0.857 -1.006 3.979 329 H CYS 628 H CYS 628 -5.013 1.367 5.363 330 HA CYS 628 HA CYS 628 -6.659 1.660 6.887 331 HB2 CYS 628 2HB CYS 628 -5.718 -0.358 8.064 332 HB3 CYS 628 1HB CYS 628 -4.653 0.711 8.925 333 H GLY 629 H GLY 629 -7.266 3.419 7.913 334 HA2 GLY 629 2HA GLY 629 -7.194 5.468 9.053 335 HA3 GLY 629 1HA GLY 629 -5.577 5.051 9.566 336 HA PRO 630 HA PRO 630 -4.767 8.186 6.513 337 HB2 PRO 630 2HB PRO 630 -3.490 9.759 8.395 338 HB3 PRO 630 1HB PRO 630 -5.167 9.915 7.871 339 HG2 PRO 630 2HG PRO 630 -4.286 9.087 10.491 340 HG3 PRO 630 1HG PRO 630 -5.947 9.025 9.857 341 HD2 PRO 630 2HD PRO 630 -3.822 6.970 10.012 342 HD3 PRO 630 1HD PRO 630 -5.591 6.848 10.225 343 H VAL 631 H VAL 631 -2.644 9.228 6.031 344 HA VAL 631 HA VAL 631 -0.382 7.524 6.764 345 HB VAL 631 HB VAL 631 -1.094 7.525 4.332 346 HG13 VAL 631 1HG VAL 631 -0.117 10.343 4.247 347 HG21 VAL 631 2HG VAL 631 1.096 6.806 4.892 348 H SER 632 H SER 632 1.378 8.577 7.674 349 HA SER 632 HA SER 632 0.963 11.424 7.994 350 HB2 SER 632 2HB SER 632 1.109 10.111 10.092 351 HB3 SER 632 1HB SER 632 2.728 9.591 9.638 352 HG SER 632 HG SER 632 1.977 12.298 9.888 353 H VAL 633 H VAL 633 1.692 11.915 5.957 354 HA VAL 633 HA VAL 633 4.636 11.832 5.670 355 HB VAL 633 HB VAL 633 2.738 12.502 3.416 356 HG13 VAL 633 1HG VAL 633 5.116 12.947 3.108 357 HG21 VAL 633 2HG VAL 633 3.609 9.722 4.127 358 H GLY 634 H GLY 634 5.603 13.863 5.019 359 HA2 GLY 634 2HA GLY 634 4.110 16.147 6.023 360 HA3 GLY 634 1HA GLY 634 5.824 16.110 5.624 361 H ALA 635 H ALA 635 3.861 14.740 3.260 362 HA ALA 635 HA ALA 635 4.216 17.121 1.575 363 HB1 ALA 635 1HB ALA 635 5.287 15.067 0.774 364 HB2 ALA 635 2HB ALA 635 4.034 15.622 -0.337 365 HB3 ALA 635 3HB ALA 635 3.716 14.264 0.743 366 H CYS 636 H CYS 636 1.808 15.159 3.051 367 HA CYS 636 HA CYS 636 -0.250 16.728 1.715 368 HB2 CYS 636 2HB CYS 636 -0.288 13.721 2.053 369 HB3 CYS 636 1HB CYS 636 -1.685 14.664 1.572 370 HA PRO 637 HA PRO 637 -2.023 17.412 5.693 371 HB2 PRO 637 2HB PRO 637 -4.671 16.716 5.139 372 HB3 PRO 637 1HB PRO 637 -3.959 18.317 4.885 373 HG2 PRO 637 2HG PRO 637 -4.386 16.079 2.953 374 HG3 PRO 637 1HG PRO 637 -4.584 17.825 2.705 375 HD2 PRO 637 2HD PRO 637 -2.465 16.576 1.759 376 HD3 PRO 637 1HD PRO 637 -2.293 18.175 2.514 377 HA PRO 638 HA PRO 638 -2.118 13.526 7.869 378 HB2 PRO 638 2HB PRO 638 -4.039 14.773 9.743 379 HB3 PRO 638 1HB PRO 638 -2.457 14.057 10.070 380 HG2 PRO 638 2HG PRO 638 -2.760 16.686 10.123 381 HG3 PRO 638 1HG PRO 638 -1.310 15.963 9.404 382 HD2 PRO 638 2HD PRO 638 -3.734 17.083 8.048 383 HD3 PRO 638 1HD PRO 638 -2.011 17.280 7.647 384 H ASP 639 H ASP 639 -5.097 14.974 6.844 385 HA ASP 639 HA ASP 639 -6.709 12.670 7.518 386 HB2 ASP 639 2HB ASP 639 -7.380 15.101 5.860 387 HB3 ASP 639 1HB ASP 639 -8.501 13.774 6.118 388 H SER 640 H SER 640 -4.428 12.999 5.256 389 HA SER 640 HA SER 640 -5.885 11.527 3.240 390 HB2 SER 640 2HB SER 640 -4.388 13.335 2.487 391 HB3 SER 640 1HB SER 640 -3.025 12.540 3.271 392 HG SER 640 HG SER 640 -4.440 11.763 0.942 393 H GLY 641 H GLY 641 -5.354 9.392 2.668 394 HA2 GLY 641 2HA GLY 641 -3.881 7.897 4.741 395 HA3 GLY 641 1HA GLY 641 -5.146 7.232 3.709 396 H ALA 642 H ALA 642 -3.643 8.974 1.560 397 HA ALA 642 HA ALA 642 -1.203 7.506 1.128 398 HB1 ALA 642 1HB ALA 642 -2.791 5.915 0.226 399 HB2 ALA 642 2HB ALA 642 -1.948 6.704 -1.110 400 HB3 ALA 642 3HB ALA 642 -3.593 7.184 -0.695 401 H CYS 643 H CYS 643 0.175 8.720 0.084 402 HA CYS 643 HA CYS 643 -0.778 11.138 -1.256 403 HB2 CYS 643 2HB CYS 643 -0.393 11.863 0.976 404 HB3 CYS 643 1HB CYS 643 1.135 10.999 1.058 405 H GLN 644 H GLN 644 0.395 11.598 -3.021 406 HA GLN 644 HA GLN 644 3.008 10.295 -3.256 407 HB2 GLN 644 2HB GLN 644 2.784 10.691 -5.623 408 HB3 GLN 644 1HB GLN 644 1.729 9.357 -5.059 409 HG2 GLN 644 2HG GLN 644 -0.124 10.922 -5.209 410 HG3 GLN 644 1HG GLN 644 0.969 12.221 -5.657 411 HE21 GLN 644 2HE GLN 644 -0.702 10.608 -8.624 412 H VAL 645 H VAL 645 4.674 11.483 -4.016 413 HA VAL 645 HA VAL 645 4.150 14.219 -4.649 414 HB VAL 645 HB VAL 645 4.659 14.340 -2.248 415 HG13 VAL 645 1HG VAL 645 6.816 13.708 -1.335 416 HG21 VAL 645 2HG VAL 645 6.546 15.911 -2.283 417 H SER 646 H SER 646 5.279 14.949 -6.184 418 HA SER 646 HA SER 646 7.001 13.258 -7.685 419 HB2 SER 646 2HB SER 646 5.573 14.891 -8.808 420 HB3 SER 646 1HB SER 646 6.337 16.204 -7.916 421 HG SER 646 HG SER 646 7.024 15.409 -10.214 422 H ARG 647 H ARG 647 8.970 12.891 -6.985 423 HA ARG 647 HA ARG 647 10.337 14.648 -5.208 424 HB2 ARG 647 2HB ARG 647 12.200 13.079 -5.352 425 HB3 ARG 647 1HB ARG 647 10.691 12.190 -5.266 426 HG2 ARG 647 2HG ARG 647 10.778 11.932 -7.733 427 HG3 ARG 647 1HG ARG 647 12.407 12.605 -7.677 428 HD2 ARG 647 2HD ARG 647 11.454 10.144 -6.221 429 HD3 ARG 647 1HD ARG 647 12.423 10.166 -7.691 430 HE ARG 647 HE ARG 647 13.979 11.542 -6.095 431 HH12 ARG 647 1HH ARG 647 13.257 7.995 -4.209 432 HH21 ARG 647 2HH ARG 647 15.346 9.156 -3.892 433 H SER 648 H SER 648 9.868 14.480 -8.547 434 HA SER 648 HA SER 648 12.242 15.890 -9.308 435 HB2 SER 648 2HB SER 648 11.053 14.220 -10.787 436 HB3 SER 648 1HB SER 648 9.724 15.350 -10.871 437 HG SER 648 HG SER 648 12.326 16.128 -11.573 438 H ASP 649 H ASP 649 8.715 16.742 -9.127 439 HA ASP 649 HA ASP 649 9.512 19.568 -9.524 440 HB2 ASP 649 2HB ASP 649 7.834 18.586 -11.135 441 HB3 ASP 649 1HB ASP 649 6.713 18.447 -9.791 442 H ARG 650 H ARG 650 8.507 17.523 -7.138 443 HA ARG 650 HA ARG 650 7.940 17.726 -4.978 444 HB2 ARG 650 2HB ARG 650 8.467 20.678 -5.402 445 HB3 ARG 650 1HB ARG 650 7.895 20.054 -3.871 446 HG2 ARG 650 2HG ARG 650 10.283 20.407 -3.777 447 HG3 ARG 650 1HG ARG 650 9.937 18.689 -3.684 448 HD2 ARG 650 2HD ARG 650 10.566 18.436 -6.042 449 HD3 ARG 650 1HD ARG 650 10.864 20.170 -6.154 450 HE ARG 650 HE ARG 650 12.381 19.281 -4.055 451 HH12 ARG 650 1HH ARG 650 13.984 18.217 -7.590 452 HH21 ARG 650 2HH ARG 650 15.305 18.330 -5.690 453 H LYS 651 H LYS 651 6.129 18.115 -7.285 454 HA LYS 651 HA LYS 651 3.682 19.299 -6.329 455 HB2 LYS 651 2HB LYS 651 4.315 17.210 -8.404 456 HB3 LYS 651 1HB LYS 651 2.698 17.784 -8.079 457 HG2 LYS 651 2HG LYS 651 4.919 19.575 -8.869 458 HG3 LYS 651 1HG LYS 651 3.991 18.687 -10.063 459 HD2 LYS 651 2HD LYS 651 1.919 19.732 -9.019 460 HD3 LYS 651 1HD LYS 651 3.016 20.753 -8.083 461 HE2 LYS 651 2HE LYS 651 3.989 21.599 -10.165 462 HE3 LYS 651 1HE LYS 651 2.888 20.524 -11.042 463 HZ1 LYS 651 3HZ LYS 651 1.983 22.759 -9.291 464 HZ2 LYS 651 1HZ LYS 651 1.020 21.732 -10.211 465 HZ3 LYS 651 2HZ LYS 651 2.038 22.810 -10.977 466 H SER 652 H SER 652 2.146 18.253 -5.010 467 HA SER 652 HA SER 652 2.452 15.392 -4.770 468 HB2 SER 652 2HB SER 652 1.920 15.533 -2.389 469 HB3 SER 652 1HB SER 652 3.492 16.179 -2.807 470 HG SER 652 HG SER 652 2.898 18.109 -2.169 471 H TRP 653 H TRP 653 0.629 14.261 -4.357 472 HA TRP 653 HA TRP 653 -1.870 15.737 -4.742 473 HB2 TRP 653 2HB TRP 653 -1.019 13.258 -6.242 474 HB3 TRP 653 1HB TRP 653 -2.596 14.008 -6.377 475 HD1 TRP 653 HD TRP 653 -2.644 16.442 -7.649 476 HE1 TRP 653 1HE TRP 653 -1.033 17.434 -9.454 477 HE3 TRP 653 3HE TRP 653 1.344 13.326 -7.024 478 HZ2 TRP 653 2HZ TRP 653 1.527 16.917 -10.442 479 HZ3 TRP 653 3HZ TRP 653 3.297 13.600 -8.369 480 HH2 TRP 653 HH TRP 653 3.417 15.390 -10.096 481 H ASN 654 H ASN 654 -3.727 14.519 -4.109 482 HA ASN 654 HA ASN 654 -3.189 12.882 -1.742 483 HB2 ASN 654 2HB ASN 654 -4.849 14.964 -1.902 484 HB3 ASN 654 1HB ASN 654 -5.814 13.846 -2.788 485 HD21 ASN 654 2HD ASN 654 -6.710 13.931 0.828 486 H LEU 655 H LEU 655 -3.529 10.708 -1.865 487 HA LEU 655 HA LEU 655 -4.826 9.677 -4.287 488 HB2 LEU 655 2HB LEU 655 -2.833 8.399 -2.437 489 HB3 LEU 655 1HB LEU 655 -3.542 7.635 -3.843 490 HG LEU 655 HG LEU 655 -1.721 10.023 -3.847 491 HD13 LEU 655 1HD LEU 655 -0.564 7.952 -3.364 492 HD21 LEU 655 2HD LEU 655 -3.332 10.233 -5.632 493 H GLY 656 H GLY 656 -5.922 10.526 -1.624 494 HA2 GLY 656 2HA GLY 656 -8.194 9.456 -1.370 495 HA3 GLY 656 1HA GLY 656 -7.274 8.013 -0.967 496 H ARG 657 H ARG 657 -9.131 10.044 0.477 497 HA ARG 657 HA ARG 657 -7.474 10.917 2.568 498 HB2 ARG 657 2HB ARG 657 -10.478 10.797 2.303 499 HB3 ARG 657 1HB ARG 657 -9.644 11.395 3.729 500 HG2 ARG 657 2HG ARG 657 -8.556 13.127 2.354 501 HG3 ARG 657 1HG ARG 657 -9.446 12.520 0.958 502 HD2 ARG 657 2HD ARG 657 -10.747 13.539 3.468 503 HD3 ARG 657 1HD ARG 657 -10.460 14.533 2.046 504 HE ARG 657 HE ARG 657 -11.897 12.784 0.869 505 HH12 ARG 657 1HH ARG 657 -14.049 13.332 4.222 506 HH21 ARG 657 2HH ARG 657 -15.059 12.578 2.284 507 H SER 658 H SER 658 -8.130 10.266 4.891 508 HA SER 658 HA SER 658 -7.299 7.671 5.290 509 HB2 SER 658 2HB SER 658 -8.059 8.087 7.661 510 HB3 SER 658 1HB SER 658 -6.939 9.276 6.988 511 HG SER 658 HG SER 658 -9.266 9.703 8.059 512 H ASN 659 H ASN 659 -8.244 5.755 5.685 513 HA ASN 659 HA ASN 659 -11.082 5.395 5.933 514 HB2 ASN 659 2HB ASN 659 -10.608 6.036 3.505 515 HB3 ASN 659 1HB ASN 659 -9.703 4.540 3.404 516 HD21 ASN 659 2HD ASN 659 -12.604 3.196 2.148 517 H ALA 660 H ALA 660 -11.421 2.835 5.790 518 HA ALA 660 HA ALA 660 -8.887 1.436 6.206 519 HB1 ALA 660 1HB ALA 660 -9.678 0.428 8.287 520 HB2 ALA 660 2HB ALA 660 -11.154 1.390 8.198 521 HB3 ALA 660 3HB ALA 660 -9.598 2.185 8.427 522 H LYS 661 H LYS 661 -11.255 1.544 4.290 523 HA LYS 661 HA LYS 661 -12.789 -0.804 4.650 524 HB2 LYS 661 2HB LYS 661 -12.341 0.773 2.117 525 HB3 LYS 661 1HB LYS 661 -13.590 -0.424 2.388 526 HG2 LYS 661 2HG LYS 661 -13.338 2.180 3.834 527 HG3 LYS 661 1HG LYS 661 -14.447 1.815 2.516 528 HD2 LYS 661 2HD LYS 661 -15.368 -0.034 3.981 529 HD3 LYS 661 1HD LYS 661 -14.351 0.688 5.256 530 HE2 LYS 661 2HE LYS 661 -15.465 2.736 5.140 531 HE3 LYS 661 1HE LYS 661 -16.316 2.264 3.675 532 HZ1 LYS 661 3HZ LYS 661 -17.482 0.565 5.022 533 HZ2 LYS 661 1HZ LYS 661 -17.798 2.139 5.508 534 HZ3 LYS 661 2HZ LYS 661 -16.776 1.207 6.431 535 H LEU 662 H LEU 662 -11.526 -2.627 4.845 536 HA LEU 662 HA LEU 662 -9.889 -3.380 2.569 537 HB2 LEU 662 2HB LEU 662 -10.562 -4.870 5.098 538 HB3 LEU 662 1HB LEU 662 -9.670 -5.582 3.779 539 HG LEU 662 HG LEU 662 -8.773 -3.278 5.510 540 HD13 LEU 662 1HD LEU 662 -7.863 -6.128 5.225 541 HD21 LEU 662 2HD LEU 662 -7.947 -3.074 3.195 542 H SER 663 H SER 663 -10.486 -4.677 1.038 543 HA SER 663 HA SER 663 -13.129 -5.905 1.227 544 HB2 SER 663 2HB SER 663 -11.707 -4.807 -1.208 545 HB3 SER 663 1HB SER 663 -13.295 -5.576 -1.192 546 HG SER 663 HG SER 663 -12.790 -3.388 0.465 547 H TYR 664 H TYR 664 -13.183 -8.006 0.604 548 HA TYR 664 HA TYR 664 -10.591 -9.167 -0.138 549 HB2 TYR 664 2HB TYR 664 -11.833 -9.893 2.036 550 HB3 TYR 664 1HB TYR 664 -12.974 -10.675 0.962 551 HD1 TYR 664 2HD TYR 664 -11.360 -12.002 -1.043 552 HD2 TYR 664 1HD TYR 664 -10.572 -11.422 3.087 553 HE1 TYR 664 2HE TYR 664 -9.911 -13.984 -1.058 554 HE2 TYR 664 1HE TYR 664 -9.112 -13.399 3.087 555 HH TYR 664 HH TYR 664 -8.841 -15.481 1.771 556 H TYR 665 H TYR 665 -10.530 -9.703 -2.166 557 HA TYR 665 HA TYR 665 -12.978 -10.010 -3.750 558 HB2 TYR 665 2HB TYR 665 -11.252 -8.226 -4.292 559 HB3 TYR 665 1HB TYR 665 -10.112 -9.537 -4.582 560 HD1 TYR 665 1HD TYR 665 -13.367 -8.202 -5.581 561 HD2 TYR 665 2HD TYR 665 -10.056 -10.594 -6.677 562 HE1 TYR 665 1HE TYR 665 -14.262 -8.351 -7.795 563 HE2 TYR 665 2HE TYR 665 -10.925 -10.773 -8.958 564 HH TYR 665 HH TYR 665 -13.347 -8.776 -10.145 565 H ASP 666 H ASP 666 -13.199 -11.986 -4.789 566 HA ASP 666 HA ASP 666 -12.005 -14.265 -3.746 567 HB2 ASP 666 2HB ASP 666 -13.982 -14.362 -5.199 568 HB3 ASP 666 1HB ASP 666 -13.012 -13.856 -6.582 569 H GLY 667 H GLY 667 -9.956 -14.852 -3.709 570 HA2 GLY 667 2HA GLY 667 -7.993 -15.530 -4.919 571 HA3 GLY 667 1HA GLY 667 -8.269 -14.185 -6.014 572 H MET 668 H MET 668 -8.575 -11.997 -4.249 573 HA MET 668 HA MET 668 -6.134 -11.963 -2.603 574 HB2 MET 668 2HB MET 668 -6.532 -9.859 -4.749 575 HB3 MET 668 1HB MET 668 -5.230 -9.965 -3.581 576 HG2 MET 668 2HG MET 668 -4.330 -10.631 -5.656 577 HG3 MET 668 1HG MET 668 -4.554 -12.116 -4.735 578 HE1 MET 668 3HE MET 668 -4.015 -12.087 -7.855 579 HE2 MET 668 1HE MET 668 -5.198 -13.271 -8.420 580 HE3 MET 668 2HE MET 668 -4.302 -13.563 -6.933 581 H ILE 669 H ILE 669 -5.936 -10.034 -1.306 582 HA ILE 669 HA ILE 669 -8.533 -8.890 -0.639 583 HB ILE 669 HB ILE 669 -5.881 -8.697 0.881 584 HG12 ILE 669 1HG ILE 669 -7.085 -10.039 2.666 585 HG23 ILE 669 2HG ILE 669 -7.137 -7.695 2.725 586 HD11 ILE 669 1HD ILE 669 -6.907 -12.233 1.676 587 H GLN 670 H GLN 670 -8.939 -6.691 -0.836 588 HA GLN 670 HA GLN 670 -6.820 -5.033 -1.985 589 HB2 GLN 670 2HB GLN 670 -9.601 -5.419 -3.089 590 HB3 GLN 670 1HB GLN 670 -8.616 -4.020 -3.482 591 HG2 GLN 670 2HG GLN 670 -6.969 -5.386 -4.553 592 HG3 GLN 670 1HG GLN 670 -7.761 -6.873 -4.011 593 HE21 GLN 670 2HE GLN 670 -10.012 -4.812 -6.674 594 H LEU 671 H LEU 671 -6.865 -2.917 -1.399 595 HA LEU 671 HA LEU 671 -8.968 -2.135 0.537 596 HB2 LEU 671 2HB LEU 671 -6.590 -2.516 1.437 597 HB3 LEU 671 1HB LEU 671 -6.103 -1.129 0.493 598 HG LEU 671 HG LEU 671 -8.008 -1.119 2.856 599 HD13 LEU 671 1HD LEU 671 -6.246 0.107 3.999 600 HD21 LEU 671 2HD LEU 671 -8.610 0.659 1.283 601 H THR 672 H THR 672 -10.109 -0.427 -0.086 602 HA THR 672 HA THR 672 -9.158 1.186 -2.347 603 HB THR 672 HB THR 672 -11.972 0.752 -1.294 604 HG1 THR 672 1HG THR 672 -11.282 -0.071 -3.828 605 HG21 THR 672 2HG THR 672 -12.681 1.857 -3.375 606 H TYR 673 H TYR 673 -8.640 3.283 -1.892 607 HA TYR 673 HA TYR 673 -9.586 4.355 0.625 608 HB2 TYR 673 2HB TYR 673 -7.255 5.068 -1.041 609 HB3 TYR 673 1HB TYR 673 -7.944 6.330 -0.006 610 HD1 TYR 673 1HD TYR 673 -8.344 5.704 2.399 611 HD2 TYR 673 2HD TYR 673 -5.688 3.540 -0.101 612 HE1 TYR 673 1HE TYR 673 -7.266 4.794 4.379 613 HE2 TYR 673 2HE TYR 673 -4.578 2.609 1.906 614 HH TYR 673 HH TYR 673 -4.343 3.270 4.400 615 H ARG 674 H ARG 674 -9.845 6.810 0.647 616 HA ARG 674 HA ARG 674 -12.331 7.186 -0.701 617 HB2 ARG 674 2HB ARG 674 -10.814 8.975 1.165 618 HB3 ARG 674 1HB ARG 674 -12.412 9.346 0.535 619 HG2 ARG 674 2HG ARG 674 -11.654 7.002 2.229 620 HG3 ARG 674 1HG ARG 674 -12.533 8.445 2.769 621 HD2 ARG 674 2HD ARG 674 -14.324 7.853 1.110 622 HD3 ARG 674 1HD ARG 674 -13.446 6.366 0.775 623 HE ARG 674 HE ARG 674 -13.921 6.606 3.523 624 HH12 ARG 674 1HH ARG 674 -16.814 4.960 1.164 625 HH21 ARG 674 2HH ARG 674 -16.859 4.646 3.558 626 H ASP 675 H ASP 675 -12.791 9.579 -1.312 627 HA ASP 675 HA ASP 675 -12.016 9.928 -3.902 628 HB2 ASP 675 2HB ASP 675 -13.027 12.199 -3.650 629 HB3 ASP 675 1HB ASP 675 -14.026 10.881 -3.048 630 H GLY 676 H GLY 676 -10.654 11.529 -1.060 631 HA2 GLY 676 2HA GLY 676 -8.700 12.819 -0.796 632 HA3 GLY 676 1HA GLY 676 -8.084 11.885 -2.145 633 H THR 677 H THR 677 -7.764 12.870 -4.014 634 HA THR 677 HA THR 677 -8.959 15.463 -4.492 635 HB THR 677 HB THR 677 -6.025 14.743 -4.640 636 HG1 THR 677 1HG THR 677 -7.273 16.911 -3.342 637 HG21 THR 677 2HG THR 677 -6.621 16.038 -6.668 638 HA PRO 678 HA PRO 678 -9.460 13.137 -8.380 639 HB2 PRO 678 2HB PRO 678 -11.262 14.576 -9.586 640 HB3 PRO 678 1HB PRO 678 -11.699 13.725 -8.143 641 HG2 PRO 678 2HG PRO 678 -10.972 16.589 -8.394 642 HG3 PRO 678 1HG PRO 678 -12.329 15.852 -7.515 643 HD2 PRO 678 2HD PRO 678 -9.968 16.571 -6.235 644 HD3 PRO 678 1HD PRO 678 -11.007 15.230 -5.706 645 H TYR 679 H TYR 679 -8.963 13.390 -10.468 646 HA TYR 679 HA TYR 679 -6.584 14.770 -10.970 647 HB2 TYR 679 2HB TYR 679 -8.488 13.649 -13.027 648 HB3 TYR 679 1HB TYR 679 -6.860 14.212 -13.368 649 HD1 TYR 679 2HD TYR 679 -4.957 12.950 -12.588 650 HD2 TYR 679 1HD TYR 679 -8.910 11.575 -11.966 651 HE1 TYR 679 2HE TYR 679 -4.082 10.716 -12.085 652 HE2 TYR 679 1HE TYR 679 -8.111 9.355 -11.472 653 HH TYR 679 HH TYR 679 -6.001 7.974 -11.947 654 H ASN 680 H ASN 680 -9.173 15.315 -13.209 655 HA ASN 680 HA ASN 680 -9.651 18.030 -13.066 656 HB2 ASN 680 2HB ASN 680 -8.055 18.848 -14.898 657 HB3 ASN 680 1HB ASN 680 -7.299 18.533 -13.344 658 HD21 ASN 680 2HD ASN 680 -6.235 16.383 -16.598 659 H ASN 681 H ASN 681 -10.852 15.498 -13.822 660 HA ASN 681 HA ASN 681 -11.120 15.819 -16.703 661 HB2 ASN 681 2HB ASN 681 -11.651 13.448 -16.827 662 HB3 ASN 681 1HB ASN 681 -10.103 13.676 -16.039 663 HD21 ASN 681 2HD ASN 681 -12.334 11.176 -14.294 664 H GLU 682 H GLU 682 -13.291 14.908 -17.426 665 HA GLU 682 HA GLU 682 -15.230 16.625 -16.337 666 HB2 GLU 682 2HB GLU 682 -15.504 14.407 -18.367 667 HB3 GLU 682 1HB GLU 682 -16.775 15.541 -17.965 668 HG2 GLU 682 2HG GLU 682 -15.692 16.171 -20.051 669 HG3 GLU 682 1HG GLU 682 -15.400 17.385 -18.814 670 H LYS 683 H LYS 683 -14.480 13.297 -15.866 671 HA LYS 683 HA LYS 683 -16.980 12.645 -14.671 672 HB2 LYS 683 2HB LYS 683 -15.558 10.988 -15.828 673 HB3 LYS 683 1HB LYS 683 -14.368 11.157 -14.553 674 HG2 LYS 683 2HG LYS 683 -15.909 10.263 -12.928 675 HG3 LYS 683 1HG LYS 683 -17.190 10.181 -14.139 676 HD2 LYS 683 2HD LYS 683 -15.897 8.634 -15.432 677 HD3 LYS 683 1HD LYS 683 -14.572 8.703 -14.260 678 HE2 LYS 683 2HE LYS 683 -16.079 7.774 -12.531 679 HE3 LYS 683 1HE LYS 683 -17.382 7.708 -13.711 680 HZ1 LYS 683 3HZ LYS 683 -16.107 6.120 -14.984 681 HZ2 LYS 683 1HZ LYS 683 -16.327 5.555 -13.417 682 HZ3 LYS 683 2HZ LYS 683 -14.836 6.179 -13.891 683 H ARG 684 H ARG 684 -14.122 14.274 -13.511 684 HA ARG 684 HA ARG 684 -13.533 15.102 -11.445 685 HB2 ARG 684 2HB ARG 684 -15.994 15.745 -11.378 686 HB3 ARG 684 1HB ARG 684 -16.333 14.209 -10.608 687 HG2 ARG 684 2HG ARG 684 -16.328 15.980 -8.967 688 HG3 ARG 684 1HG ARG 684 -14.950 14.920 -8.682 689 HD2 ARG 684 2HD ARG 684 -13.477 16.493 -9.789 690 HD3 ARG 684 1HD ARG 684 -14.843 17.542 -10.170 691 HE ARG 684 HE ARG 684 -14.741 17.098 -7.407 692 HH12 ARG 684 1HH ARG 684 -12.364 20.024 -8.869 693 HH21 ARG 684 2HH ARG 684 -12.931 20.002 -6.604 694 H THR 685 H THR 685 -12.558 12.828 -12.124 695 HA THR 685 HA THR 685 -13.273 10.689 -10.383 696 HB THR 685 HB THR 685 -10.982 10.779 -12.337 697 HG1 THR 685 1HG THR 685 -13.663 9.838 -12.511 698 HG21 THR 685 2HG THR 685 -10.823 9.096 -10.678 699 HA PRO 686 HA PRO 686 -10.466 11.977 -7.237 700 HB2 PRO 686 2HB PRO 686 -10.911 9.853 -5.641 701 HB3 PRO 686 1HB PRO 686 -12.039 11.202 -5.761 702 HG2 PRO 686 2HG PRO 686 -12.139 8.516 -7.054 703 HG3 PRO 686 1HG PRO 686 -13.449 9.446 -6.308 704 HD2 PRO 686 2HD PRO 686 -13.065 9.319 -8.951 705 HD3 PRO 686 1HD PRO 686 -13.734 10.765 -8.167 706 H ARG 687 H ARG 687 -8.280 11.595 -7.119 707 HA ARG 687 HA ARG 687 -7.198 9.219 -8.311 708 HB2 ARG 687 2HB ARG 687 -5.836 11.247 -6.509 709 HB3 ARG 687 1HB ARG 687 -5.024 10.003 -7.443 710 HG2 ARG 687 2HG ARG 687 -5.827 11.159 -9.505 711 HG3 ARG 687 1HG ARG 687 -6.442 12.450 -8.466 712 HD2 ARG 687 2HD ARG 687 -4.179 12.730 -7.527 713 HD3 ARG 687 1HD ARG 687 -3.586 11.510 -8.647 714 HE ARG 687 HE ARG 687 -4.832 13.996 -9.585 715 HH12 ARG 687 1HH ARG 687 -1.195 12.628 -10.809 716 HH21 ARG 687 2HH ARG 687 -1.997 14.702 -11.574 717 H ALA 688 H ALA 688 -7.264 7.321 -7.264 718 HA ALA 688 HA ALA 688 -7.226 7.472 -4.344 719 HB1 ALA 688 1HB ALA 688 -9.027 5.696 -5.993 720 HB2 ALA 688 2HB ALA 688 -9.528 7.116 -5.076 721 HB3 ALA 688 3HB ALA 688 -8.906 5.701 -4.234 722 H THR 689 H THR 689 -6.737 5.361 -3.398 723 HA THR 689 HA THR 689 -4.701 4.003 -4.996 724 HB THR 689 HB THR 689 -4.908 4.351 -1.998 725 HG1 THR 689 1HG THR 689 -4.363 6.249 -2.989 726 HG21 THR 689 2HG THR 689 -2.634 3.432 -1.941 727 H LEU 690 H LEU 690 -4.966 1.870 -5.330 728 HA LEU 690 HA LEU 690 -6.832 0.424 -3.617 729 HB2 LEU 690 2HB LEU 690 -7.652 0.823 -5.983 730 HB3 LEU 690 1HB LEU 690 -6.260 -0.053 -6.563 731 HG LEU 690 HG LEU 690 -8.328 -1.402 -6.664 732 HD13 LEU 690 1HD LEU 690 -7.581 -3.415 -5.559 733 HD21 LEU 690 2HD LEU 690 -9.437 -2.159 -4.655 734 H ILE 691 H ILE 691 -5.685 -0.879 -2.457 735 HA ILE 691 HA ILE 691 -3.048 -1.724 -3.427 736 HB ILE 691 HB ILE 691 -4.190 -1.853 -0.617 737 HG12 ILE 691 1HG ILE 691 -2.132 0.023 -1.771 738 HG23 ILE 691 2HG ILE 691 -1.880 -2.317 0.050 739 HD11 ILE 691 1HD ILE 691 -3.506 0.093 0.905 740 H THR 692 H THR 692 -2.833 -3.754 -4.132 741 HA THR 692 HA THR 692 -4.957 -5.664 -3.558 742 HB THR 692 HB THR 692 -2.809 -5.684 -5.623 743 HG1 THR 692 1HG THR 692 -4.848 -4.081 -5.401 744 HG21 THR 692 2HG THR 692 -4.333 -7.262 -6.806 745 H PHE 693 H PHE 693 -4.383 -7.110 -2.107 746 HA PHE 693 HA PHE 693 -1.609 -7.382 -1.314 747 HB2 PHE 693 2HB PHE 693 -4.172 -8.369 -0.176 748 HB3 PHE 693 1HB PHE 693 -2.601 -8.615 0.588 749 HD1 PHE 693 1HD PHE 693 -4.951 -5.938 -0.515 750 HD2 PHE 693 2HD PHE 693 -1.701 -6.966 2.024 751 HE1 PHE 693 1HE PHE 693 -5.182 -3.802 0.638 752 HE2 PHE 693 2HE PHE 693 -1.919 -4.819 3.167 753 HZ PHE 693 HZ PHE 693 -3.666 -3.238 2.475 754 H LEU 694 H LEU 694 -0.461 -9.095 -1.756 755 HA LEU 694 HA LEU 694 -1.797 -11.335 -3.090 756 HB2 LEU 694 2HB LEU 694 1.026 -10.356 -3.432 757 HB3 LEU 694 1HB LEU 694 0.259 -11.665 -4.310 758 HG LEU 694 HG LEU 694 -0.509 -8.786 -4.430 759 HD13 LEU 694 1HD LEU 694 0.917 -10.520 -6.462 760 HD21 LEU 694 2HD LEU 694 -2.422 -10.185 -4.807 761 H CYS 695 H CYS 695 -1.061 -13.291 -2.651 762 HA CYS 695 HA CYS 695 -0.154 -13.719 0.013 763 HB2 CYS 695 2HB CYS 695 -1.698 -15.339 -0.627 764 HB3 CYS 695 1HB CYS 695 -0.953 -15.617 -2.188 765 H ASP 696 H ASP 696 1.808 -13.749 0.688 766 HA ASP 696 HA ASP 696 3.852 -14.960 -1.002 767 HB2 ASP 696 2HB ASP 696 3.998 -12.366 -0.714 768 HB3 ASP 696 1HB ASP 696 4.367 -12.707 0.970 769 H ARG 697 H ARG 697 4.538 -16.746 0.037 770 HA ARG 697 HA ARG 697 3.113 -17.546 2.272 771 HB2 ARG 697 2HB ARG 697 3.965 -19.149 0.615 772 HB3 ARG 697 1HB ARG 697 5.604 -18.876 1.190 773 HG2 ARG 697 2HG ARG 697 5.094 -19.841 3.320 774 HG3 ARG 697 1HG ARG 697 3.383 -19.913 2.924 775 HD2 ARG 697 2HD ARG 697 4.355 -22.118 2.749 776 HD3 ARG 697 1HD ARG 697 3.874 -21.552 1.160 777 HE ARG 697 HE ARG 697 6.443 -20.898 1.162 778 HH12 ARG 697 1HH ARG 697 6.184 -24.887 1.814 779 HH21 ARG 697 2HH ARG 697 8.078 -24.005 0.796 780 H ASP 698 H ASP 698 6.411 -16.335 2.235 781 HA ASP 698 HA ASP 698 6.035 -15.645 5.013 782 HB2 ASP 698 2HB ASP 698 7.111 -17.884 5.163 783 HB3 ASP 698 1HB ASP 698 8.455 -17.285 4.198 784 H ALA 699 H ALA 699 6.447 -13.615 5.040 785 HA ALA 699 HA ALA 699 8.723 -12.553 3.545 786 HB1 ALA 699 1HB ALA 699 7.363 -10.688 2.713 787 HB2 ALA 699 2HB ALA 699 5.935 -11.381 3.478 788 HB3 ALA 699 3HB ALA 699 6.722 -12.232 2.153 789 H GLY 700 H GLY 700 6.048 -11.153 5.405 790 HA2 GLY 700 2HA GLY 700 7.034 -10.842 7.836 791 HA3 GLY 700 1HA GLY 700 7.841 -9.560 6.929 792 H VAL 701 H VAL 701 6.820 -7.743 7.350 793 HA VAL 701 HA VAL 701 3.995 -7.714 7.781 794 HB VAL 701 HB VAL 701 5.623 -6.201 8.910 795 HG13 VAL 701 1HG VAL 701 5.794 -4.769 6.292 796 HG21 VAL 701 2HG VAL 701 4.182 -4.199 8.878 797 H GLY 702 H GLY 702 6.216 -7.054 5.216 798 HA2 GLY 702 2HA GLY 702 5.407 -7.635 3.033 799 HA3 GLY 702 1HA GLY 702 3.923 -6.796 3.441 800 H PHE 703 H PHE 703 5.693 -6.498 1.340 801 HA PHE 703 HA PHE 703 6.277 -3.620 1.564 802 HB2 PHE 703 2HB PHE 703 7.745 -5.668 -0.115 803 HB3 PHE 703 1HB PHE 703 7.931 -3.938 -0.315 804 HD1 PHE 703 2HD PHE 703 9.089 -2.614 1.388 805 HD2 PHE 703 1HD PHE 703 8.765 -6.842 1.706 806 HE1 PHE 703 2HE PHE 703 10.895 -2.618 3.054 807 HE2 PHE 703 1HE PHE 703 10.580 -6.850 3.376 808 HZ PHE 703 HZ PHE 703 11.643 -4.738 4.050 809 HA PRO 704 HA PRO 704 3.282 -3.461 -1.815 810 HB2 PRO 704 2HB PRO 704 2.912 -0.814 -1.798 811 HB3 PRO 704 1HB PRO 704 2.251 -1.834 -0.515 812 HG2 PRO 704 2HG PRO 704 4.697 -0.112 -0.492 813 HG3 PRO 704 1HG PRO 704 3.487 -0.355 0.778 814 HD2 PRO 704 2HD PRO 704 5.933 -1.629 0.711 815 HD3 PRO 704 1HD PRO 704 4.502 -2.241 1.552 816 H GLU 705 H GLU 705 3.454 -3.021 -3.982 817 HA GLU 705 HA GLU 705 5.726 -1.390 -4.889 818 HB2 GLU 705 2HB GLU 705 6.226 -3.801 -5.137 819 HB3 GLU 705 1HB GLU 705 4.777 -3.990 -6.106 820 HG2 GLU 705 2HG GLU 705 6.770 -3.865 -7.506 821 HG3 GLU 705 1HG GLU 705 5.679 -2.511 -7.805 822 H TYR 706 H TYR 706 5.285 -0.049 -6.564 823 HA TYR 706 HA TYR 706 2.493 0.404 -7.154 824 HB2 TYR 706 2HB TYR 706 3.809 2.369 -6.742 825 HB3 TYR 706 1HB TYR 706 4.970 1.945 -7.986 826 HD1 TYR 706 2HD TYR 706 1.252 2.441 -7.711 827 HD2 TYR 706 1HD TYR 706 4.813 3.123 -9.943 828 HE1 TYR 706 2HE TYR 706 -0.022 3.706 -9.326 829 HE2 TYR 706 1HE TYR 706 3.545 4.407 -11.579 830 HH TYR 706 HH TYR 706 0.442 5.512 -11.002 831 H GLN 707 H GLN 707 1.447 -0.441 -8.743 832 HA GLN 707 HA GLN 707 3.043 -1.535 -10.898 833 HB2 GLN 707 2HB GLN 707 0.329 -2.347 -9.903 834 HB3 GLN 707 1HB GLN 707 1.040 -2.960 -11.395 835 HG2 GLN 707 2HG GLN 707 2.282 -3.193 -8.669 836 HG3 GLN 707 1HG GLN 707 1.394 -4.473 -9.498 837 HE21 GLN 707 2HE GLN 707 5.156 -4.605 -10.086 838 H GLU 708 H GLU 708 -0.343 -0.358 -10.781 839 HA GLU 708 HA GLU 708 0.359 1.212 -13.122 840 HB2 GLU 708 2HB GLU 708 -1.488 0.263 -14.409 841 HB3 GLU 708 1HB GLU 708 -0.180 -0.866 -14.062 842 HG2 GLU 708 2HG GLU 708 -1.507 -1.905 -12.303 843 HG3 GLU 708 1HG GLU 708 -2.778 -0.714 -12.529 844 H GLU 709 H GLU 709 -0.367 3.132 -12.622 845 HA GLU 709 HA GLU 709 -3.154 3.366 -11.801 846 HB2 GLU 709 2HB GLU 709 -1.462 5.148 -11.128 847 HB3 GLU 709 1HB GLU 709 -1.302 5.551 -12.825 848 HG2 GLU 709 2HG GLU 709 -3.875 5.764 -11.283 849 HG3 GLU 709 1HG GLU 709 -2.743 7.095 -11.469 850 H ASP 710 H ASP 710 -4.707 3.388 -13.248 851 HA ASP 710 HA ASP 710 -4.360 4.051 -16.015 852 HB2 ASP 710 2HB ASP 710 -3.257 1.957 -16.210 853 HB3 ASP 710 1HB ASP 710 -4.451 1.140 -15.220 854 H ASN 711 H ASN 711 -6.149 2.184 -13.712 855 HA ASN 711 HA ASN 711 -8.695 2.733 -14.959 856 HB2 ASN 711 2HB ASN 711 -9.598 1.402 -13.056 857 HB3 ASN 711 1HB ASN 711 -8.360 0.543 -13.963 858 HD21 ASN 711 2HD ASN 711 -6.140 0.286 -11.284 859 H SER 712 H SER 712 -6.937 4.921 -13.774 860 HA SER 712 HA SER 712 -7.207 6.902 -12.864 861 HB2 SER 712 2HB SER 712 -10.103 6.136 -12.396 862 HB3 SER 712 1HB SER 712 -9.407 7.761 -12.286 863 HG SER 712 HG SER 712 -8.969 6.359 -14.646 864 H THR 713 H THR 713 -7.269 4.166 -11.262 865 HA THR 713 HA THR 713 -6.946 5.425 -8.674 866 HB THR 713 HB THR 713 -7.997 2.652 -9.334 867 HG1 THR 713 1HG THR 713 -9.649 3.979 -9.688 868 HG21 THR 713 2HG THR 713 -8.466 2.486 -6.928 869 H TYR 714 H TYR 714 -5.083 4.757 -7.647 870 HA TYR 714 HA TYR 714 -3.054 3.612 -9.343 871 HB2 TYR 714 2HB TYR 714 -2.976 4.828 -6.576 872 HB3 TYR 714 1HB TYR 714 -1.560 4.215 -7.419 873 HD1 TYR 714 1HD TYR 714 -4.331 6.709 -7.804 874 HD2 TYR 714 2HD TYR 714 -0.319 5.667 -8.746 875 HE1 TYR 714 1HE TYR 714 -4.002 8.918 -8.851 876 HE2 TYR 714 2HE TYR 714 0.014 7.856 -9.790 877 HH TYR 714 HH TYR 714 -1.367 9.596 -10.829 878 H ASN 715 H ASN 715 -2.689 1.522 -9.339 879 HA ASN 715 HA ASN 715 -3.525 -0.099 -7.037 880 HB2 ASN 715 2HB ASN 715 -2.988 -0.640 -9.874 881 HB3 ASN 715 1HB ASN 715 -2.827 -1.995 -8.753 882 HD21 ASN 715 2HD ASN 715 -6.308 -2.427 -8.398 883 H PHE 716 H PHE 716 -2.242 -0.896 -5.741 884 HA PHE 716 HA PHE 716 0.619 -1.183 -6.364 885 HB2 PHE 716 2HB PHE 716 -0.719 -0.553 -3.720 886 HB3 PHE 716 1HB PHE 716 0.987 -0.913 -3.916 887 HD1 PHE 716 1HD PHE 716 -1.666 1.512 -4.769 888 HD2 PHE 716 2HD PHE 716 2.500 0.740 -4.539 889 HE1 PHE 716 1HE PHE 716 -1.209 3.897 -5.144 890 HE2 PHE 716 2HE PHE 716 2.962 3.116 -4.915 891 HZ PHE 716 HZ PHE 716 1.112 4.695 -5.223 892 H ARG 717 H ARG 717 1.479 -3.134 -5.807 893 HA ARG 717 HA ARG 717 -0.435 -5.090 -4.757 894 HB2 ARG 717 2HB ARG 717 1.088 -6.845 -5.587 895 HB3 ARG 717 1HB ARG 717 0.459 -5.810 -6.876 896 HG2 ARG 717 2HG ARG 717 2.578 -4.664 -6.986 897 HG3 ARG 717 1HG ARG 717 3.172 -5.618 -5.618 898 HD2 ARG 717 2HD ARG 717 3.972 -6.469 -7.815 899 HD3 ARG 717 1HD ARG 717 3.033 -7.653 -6.908 900 HE ARG 717 HE ARG 717 1.152 -6.599 -8.430 901 HH12 ARG 717 1HH ARG 717 3.945 -8.083 -10.936 902 HH21 ARG 717 2HH ARG 717 1.721 -7.749 -11.684 903 H TRP 718 H TRP 718 -0.018 -6.156 -2.951 904 HA TRP 718 HA TRP 718 2.361 -5.247 -1.463 905 HB2 TRP 718 2HB TRP 718 0.065 -4.344 -0.800 906 HB3 TRP 718 1HB TRP 718 -0.325 -5.983 -0.317 907 HD1 TRP 718 HD TRP 718 1.774 -6.957 1.497 908 HE1 TRP 718 1HE TRP 718 2.533 -5.694 3.645 909 HE3 TRP 718 3HE TRP 718 0.189 -2.282 0.292 910 HZ2 TRP 718 2HZ TRP 718 2.457 -3.100 4.637 911 HZ3 TRP 718 3HZ TRP 718 0.552 -0.461 1.909 912 HH2 TRP 718 HH TRP 718 1.668 -0.872 4.021 913 H TYR 719 H TYR 719 3.689 -6.952 -1.207 914 HA TYR 719 HA TYR 719 2.554 -9.632 -1.136 915 HB2 TYR 719 2HB TYR 719 5.424 -8.683 -1.188 916 HB3 TYR 719 1HB TYR 719 4.948 -10.371 -1.087 917 HD1 TYR 719 2HD TYR 719 3.846 -11.460 -2.998 918 HD2 TYR 719 1HD TYR 719 5.322 -7.480 -3.263 919 HE1 TYR 719 2HE TYR 719 3.738 -11.589 -5.452 920 HE2 TYR 719 1HE TYR 719 5.211 -7.608 -5.725 921 HH TYR 719 HH TYR 719 5.269 -9.404 -7.437 922 H THR 720 H THR 720 1.744 -10.151 0.759 923 HA THR 720 HA THR 720 3.458 -9.860 3.067 924 HB THR 720 HB THR 720 2.018 -7.879 3.197 925 HG1 THR 720 1HG THR 720 2.088 -8.246 5.209 926 HG21 THR 720 2HG THR 720 -0.424 -8.106 3.467 927 H SER 721 H SER 721 3.235 -11.416 4.566 928 HA SER 721 HA SER 721 2.028 -13.841 3.753 929 HB2 SER 721 2HB SER 721 4.102 -13.706 5.108 930 HB3 SER 721 1HB SER 721 3.170 -13.039 6.446 931 HG SER 721 HG SER 721 3.644 -15.359 6.452 932 H TYR 722 H TYR 722 0.977 -11.056 5.612 933 HA TYR 722 HA TYR 722 -1.020 -12.285 7.159 934 HB2 TYR 722 2HB TYR 722 -0.709 -9.388 6.320 935 HB3 TYR 722 1HB TYR 722 -1.867 -10.004 7.442 936 HD1 TYR 722 2HD TYR 722 1.810 -9.634 6.989 937 HD2 TYR 722 1HD TYR 722 -1.378 -10.402 9.700 938 HE1 TYR 722 2HE TYR 722 3.364 -9.408 8.880 939 HE2 TYR 722 1HE TYR 722 0.170 -10.174 11.593 940 HH TYR 722 HH TYR 722 3.303 -8.889 11.222 941 H ALA 723 H ALA 723 -0.902 -11.705 3.850 942 HA ALA 723 HA ALA 723 -3.827 -11.478 3.654 943 HB1 ALA 723 1HB ALA 723 -3.461 -10.837 1.330 944 HB2 ALA 723 2HB ALA 723 -1.735 -11.110 1.519 945 HB3 ALA 723 3HB ALA 723 -2.524 -9.811 2.419 946 H CYS 724 H CYS 724 -1.724 -13.873 3.941 947 HA CYS 724 HA CYS 724 -2.992 -15.458 1.836 948 HB2 CYS 724 2HB CYS 724 -0.576 -15.011 1.500 949 HB3 CYS 724 1HB CYS 724 -0.238 -15.851 3.000 950 HA PRO 725 HA PRO 725 -4.330 -17.932 5.356 951 HB2 PRO 725 2HB PRO 725 -5.118 -20.093 3.618 952 HB3 PRO 725 1HB PRO 725 -6.149 -18.900 4.404 953 HG2 PRO 725 2HG PRO 725 -5.731 -19.043 1.686 954 HG3 PRO 725 1HG PRO 725 -6.244 -17.583 2.542 955 HD2 PRO 725 2HD PRO 725 -3.538 -18.360 1.556 956 HD3 PRO 725 1HD PRO 725 -4.333 -16.769 1.587 Start of MODEL 2 1 H1 GLU 578 1HT GLU 578 -13.225 -1.182 -15.904 2 H2 GLU 578 2HT GLU 578 -14.343 -0.897 -14.656 3 H3 GLU 578 3HT GLU 578 -13.936 -2.472 -15.057 4 HA GLU 578 HA GLU 578 -11.731 -2.189 -14.313 5 HB2 GLU 578 2HB GLU 578 -12.597 0.628 -13.575 6 HB3 GLU 578 1HB GLU 578 -11.119 -0.127 -13.015 7 HG2 GLU 578 2HG GLU 578 -10.642 1.397 -14.834 8 HG3 GLU 578 1HG GLU 578 -10.323 -0.259 -15.343 9 H ALA 579 H ALA 579 -12.477 -3.813 -13.160 10 HA ALA 579 HA ALA 579 -12.947 -3.399 -10.392 11 HB1 ALA 579 1HB ALA 579 -15.263 -4.483 -12.027 12 HB2 ALA 579 2HB ALA 579 -15.242 -2.943 -11.166 13 HB3 ALA 579 3HB ALA 579 -15.172 -4.460 -10.266 14 H GLU 580 H GLU 580 -13.420 -5.523 -13.159 15 HA GLU 580 HA GLU 580 -12.607 -7.488 -13.767 16 HB2 GLU 580 2HB GLU 580 -10.736 -7.153 -11.424 17 HB3 GLU 580 1HB GLU 580 -10.608 -8.444 -12.611 18 HG2 GLU 580 2HG GLU 580 -10.221 -6.836 -14.374 19 HG3 GLU 580 1HG GLU 580 -10.481 -5.507 -13.248 20 H ALA 581 H ALA 581 -12.898 -7.532 -10.245 21 HA ALA 581 HA ALA 581 -13.965 -10.234 -10.473 22 HB1 ALA 581 1HB ALA 581 -13.591 -10.450 -8.093 23 HB2 ALA 581 2HB ALA 581 -13.116 -8.753 -7.998 24 HB3 ALA 581 3HB ALA 581 -12.126 -9.896 -8.904 25 H GLU 582 H GLU 582 -16.039 -10.084 -11.005 26 HA GLU 582 HA GLU 582 -17.771 -8.581 -9.209 27 HB2 GLU 582 2HB GLU 582 -19.591 -9.045 -10.857 28 HB3 GLU 582 1HB GLU 582 -18.246 -8.171 -11.555 29 HG2 GLU 582 2HG GLU 582 -17.442 -10.218 -12.586 30 HG3 GLU 582 1HG GLU 582 -18.780 -11.116 -11.863 31 H PHE 583 H PHE 583 -17.182 -11.778 -10.538 32 HA PHE 583 HA PHE 583 -18.629 -13.034 -8.336 33 HB2 PHE 583 2HB PHE 583 -17.073 -14.258 -10.656 34 HB3 PHE 583 1HB PHE 583 -18.015 -15.156 -9.477 35 HD1 PHE 583 1HD PHE 583 -20.526 -14.714 -9.385 36 HD2 PHE 583 2HD PHE 583 -18.058 -13.478 -12.622 37 HE1 PHE 583 1HE PHE 583 -22.515 -14.536 -10.831 38 HE2 PHE 583 2HE PHE 583 -20.037 -13.297 -14.069 39 HZ PHE 583 HZ PHE 583 -22.270 -13.826 -13.173 40 H LEU 584 H LEU 584 -17.281 -14.670 -7.002 41 HA LEU 584 HA LEU 584 -15.574 -14.852 -5.448 42 HB2 LEU 584 2HB LEU 584 -13.955 -13.930 -7.854 43 HB3 LEU 584 1HB LEU 584 -13.181 -14.333 -6.350 44 HG LEU 584 HG LEU 584 -14.015 -16.693 -6.633 45 HD13 LEU 584 1HD LEU 584 -14.805 -17.430 -8.808 46 HD21 LEU 584 2HD LEU 584 -12.344 -15.605 -8.881 47 H SER 585 H SER 585 -17.172 -12.814 -5.435 48 HA SER 585 HA SER 585 -16.687 -10.254 -5.919 49 HB2 SER 585 2HB SER 585 -18.285 -11.394 -3.680 50 HB3 SER 585 1HB SER 585 -18.548 -9.862 -4.527 51 HG SER 585 HG SER 585 -18.892 -11.090 -6.459 52 H ARG 586 H ARG 586 -17.186 -8.698 -3.964 53 HA ARG 586 HA ARG 586 -14.689 -8.411 -2.452 54 HB2 ARG 586 2HB ARG 586 -14.950 -6.714 -4.161 55 HB3 ARG 586 1HB ARG 586 -16.581 -6.357 -3.618 56 HG2 ARG 586 2HG ARG 586 -15.608 -5.585 -1.440 57 HG3 ARG 586 1HG ARG 586 -14.014 -5.843 -2.154 58 HD2 ARG 586 2HD ARG 586 -14.447 -4.177 -3.847 59 HD3 ARG 586 1HD ARG 586 -16.108 -3.973 -3.287 60 HE ARG 586 HE ARG 586 -14.101 -3.440 -1.288 61 HH12 ARG 586 1HH ARG 586 -15.774 -0.387 -3.375 62 HH21 ARG 586 2HH ARG 586 -14.668 0.030 -1.342 63 H THR 587 H THR 587 -14.928 -8.421 -0.342 64 HA THR 587 HA THR 587 -17.528 -7.713 0.789 65 HB THR 587 HB THR 587 -16.511 -9.932 1.548 66 HG1 THR 587 1HG THR 587 -16.533 -9.089 3.935 67 HG21 THR 587 2HG THR 587 -14.485 -8.084 2.789 68 H GLU 588 H GLU 588 -17.615 -5.943 2.194 69 HA GLU 588 HA GLU 588 -15.097 -4.485 2.444 70 HB2 GLU 588 2HB GLU 588 -16.968 -3.227 1.391 71 HB3 GLU 588 1HB GLU 588 -17.921 -3.461 2.848 72 HG2 GLU 588 2HG GLU 588 -16.361 -2.149 4.133 73 HG3 GLU 588 1HG GLU 588 -15.301 -2.006 2.730 74 H GLY 589 H GLY 589 -14.139 -4.506 4.336 75 HA2 GLY 589 2HA GLY 589 -15.506 -5.870 6.517 76 HA3 GLY 589 1HA GLY 589 -13.786 -5.564 6.399 77 H ASP 590 H ASP 590 -13.365 -4.614 8.230 78 HA ASP 590 HA ASP 590 -14.918 -2.259 9.063 79 HB2 ASP 590 2HB ASP 590 -13.553 -4.346 10.792 80 HB3 ASP 590 1HB ASP 590 -14.248 -2.852 11.386 81 H ASN 591 H ASN 591 -13.261 -1.394 11.043 82 HA ASN 591 HA ASN 591 -11.270 -0.003 9.665 83 HB2 ASN 591 2HB ASN 591 -12.251 0.889 11.706 84 HB3 ASN 591 1HB ASN 591 -11.626 -0.463 12.635 85 HD21 ASN 591 2HD ASN 591 -8.434 0.899 13.041 86 H CYS 592 H CYS 592 -9.536 -0.953 8.738 87 HA CYS 592 HA CYS 592 -7.523 -1.899 8.528 88 HB2 CYS 592 2HB CYS 592 -7.671 -1.872 11.512 89 HB3 CYS 592 1HB CYS 592 -6.195 -2.361 10.646 90 H THR 593 H THR 593 -10.116 -3.552 9.144 91 HA THR 593 HA THR 593 -8.753 -6.116 9.235 92 HB THR 593 HB THR 593 -10.676 -6.932 10.704 93 HG1 THR 593 1HG THR 593 -10.894 -4.140 11.143 94 HG21 THR 593 2HG THR 593 -8.386 -6.582 11.561 95 H VAL 594 H VAL 594 -9.848 -7.751 8.106 96 HA VAL 594 HA VAL 594 -12.183 -6.807 6.656 97 HB VAL 594 HB VAL 594 -10.161 -6.739 5.173 98 HG13 VAL 594 1HG VAL 594 -10.073 -9.697 5.544 99 HG21 VAL 594 2HG VAL 594 -12.366 -7.003 4.202 100 H PHE 595 H PHE 595 -13.814 -8.222 6.502 101 HA PHE 595 HA PHE 595 -13.222 -10.963 7.099 102 HB2 PHE 595 2HB PHE 595 -14.195 -10.150 9.180 103 HB3 PHE 595 1HB PHE 595 -15.508 -9.370 8.304 104 HD1 PHE 595 2HD PHE 595 -14.073 -12.780 7.972 105 HD2 PHE 595 1HD PHE 595 -17.467 -10.431 8.971 106 HE1 PHE 595 2HE PHE 595 -15.384 -14.801 8.123 107 HE2 PHE 595 1HE PHE 595 -18.819 -12.474 9.137 108 HZ PHE 595 HZ PHE 595 -17.771 -14.677 8.721 109 H ASP 596 H ASP 596 -13.990 -12.295 5.709 110 HA ASP 596 HA ASP 596 -15.737 -11.204 3.605 111 HB2 ASP 596 2HB ASP 596 -13.375 -11.816 3.011 112 HB3 ASP 596 1HB ASP 596 -13.794 -13.446 3.479 113 H SER 597 H SER 597 -17.632 -11.976 3.384 114 HA SER 597 HA SER 597 -18.576 -14.020 5.052 115 HB2 SER 597 2HB SER 597 -20.701 -13.664 3.762 116 HB3 SER 597 1HB SER 597 -20.033 -12.235 4.553 117 HG SER 597 HG SER 597 -20.759 -12.352 2.188 118 H GLN 598 H GLN 598 -17.442 -14.055 1.689 119 HA GLN 598 HA GLN 598 -18.722 -16.579 1.159 120 HB2 GLN 598 2HB GLN 598 -17.483 -16.502 -0.918 121 HB3 GLN 598 1HB GLN 598 -18.505 -15.045 -0.775 122 HG2 GLN 598 2HG GLN 598 -16.327 -13.986 0.071 123 HG3 GLN 598 1HG GLN 598 -15.541 -15.435 -0.500 124 HE21 GLN 598 2HE GLN 598 -15.376 -12.538 -2.855 125 H ALA 599 H ALA 599 -15.590 -15.328 2.009 126 HA ALA 599 HA ALA 599 -14.259 -17.812 1.676 127 HB1 ALA 599 1HB ALA 599 -12.306 -16.605 2.576 128 HB2 ALA 599 2HB ALA 599 -13.335 -15.321 3.141 129 HB3 ALA 599 3HB ALA 599 -13.163 -15.585 1.403 130 H GLY 600 H GLY 600 -15.951 -16.101 4.109 131 HA2 GLY 600 2HA GLY 600 -16.847 -16.783 6.107 132 HA3 GLY 600 1HA GLY 600 -16.196 -18.384 5.798 133 H PHE 601 H PHE 601 -13.914 -15.828 5.743 134 HA PHE 601 HA PHE 601 -13.331 -16.130 8.527 135 HB2 PHE 601 2HB PHE 601 -10.839 -16.599 8.014 136 HB3 PHE 601 1HB PHE 601 -11.979 -17.929 7.932 137 HD1 PHE 601 1HD PHE 601 -10.714 -15.301 5.583 138 HD2 PHE 601 2HD PHE 601 -11.541 -19.400 6.273 139 HE1 PHE 601 1HE PHE 601 -9.888 -15.852 3.326 140 HE2 PHE 601 2HE PHE 601 -10.721 -19.956 4.024 141 HZ PHE 601 HZ PHE 601 -9.889 -18.177 2.549 142 H SER 602 H SER 602 -11.542 -14.738 9.313 143 HA SER 602 HA SER 602 -11.733 -12.208 7.874 144 HB2 SER 602 2HB SER 602 -11.810 -11.117 10.096 145 HB3 SER 602 1HB SER 602 -13.163 -12.218 9.833 146 HG SER 602 HG SER 602 -11.179 -12.299 11.694 147 H PHE 603 H PHE 603 -10.019 -10.778 8.088 148 HA PHE 603 HA PHE 603 -7.477 -11.844 9.095 149 HB2 PHE 603 2HB PHE 603 -8.010 -10.581 6.404 150 HB3 PHE 603 1HB PHE 603 -6.408 -10.636 7.118 151 HD1 PHE 603 2HD PHE 603 -9.216 -12.838 5.775 152 HD2 PHE 603 1HD PHE 603 -5.091 -12.523 6.974 153 HE1 PHE 603 2HE PHE 603 -8.747 -14.970 4.813 154 HE2 PHE 603 1HE PHE 603 -4.676 -14.720 5.970 155 HZ PHE 603 HZ PHE 603 -6.525 -15.930 4.882 156 H ASP 604 H ASP 604 -6.112 -10.287 9.967 157 HA ASP 604 HA ASP 604 -7.064 -7.476 9.977 158 HB2 ASP 604 2HB ASP 604 -6.446 -7.225 12.265 159 HB3 ASP 604 1HB ASP 604 -7.416 -8.685 12.210 160 H LEU 605 H LEU 605 -5.801 -6.255 8.982 161 HA LEU 605 HA LEU 605 -3.002 -7.092 8.747 162 HB2 LEU 605 2HB LEU 605 -4.603 -5.278 6.938 163 HB3 LEU 605 1HB LEU 605 -2.910 -5.663 6.712 164 HG LEU 605 HG LEU 605 -5.232 -7.585 6.506 165 HD13 LEU 605 1HD LEU 605 -4.514 -7.825 4.207 166 HD21 LEU 605 2HD LEU 605 -3.348 -8.744 7.518 167 H THR 606 H THR 606 -4.386 -5.717 10.809 168 HA THR 606 HA THR 606 -3.904 -3.059 11.114 169 HB THR 606 HB THR 606 -3.682 -4.903 13.445 170 HG1 THR 606 1HG THR 606 -5.590 -5.774 13.058 171 HG21 THR 606 2HG THR 606 -4.030 -2.422 13.605 172 HA PRO 607 HA PRO 607 0.464 -4.348 13.174 173 HB2 PRO 607 2HB PRO 607 1.060 -6.800 11.602 174 HB3 PRO 607 1HB PRO 607 1.388 -6.455 13.301 175 HG2 PRO 607 2HG PRO 607 -0.546 -8.132 12.634 176 HG3 PRO 607 1HG PRO 607 -0.774 -6.979 13.962 177 HD2 PRO 607 2HD PRO 607 -1.785 -6.847 11.150 178 HD3 PRO 607 1HD PRO 607 -2.634 -6.471 12.663 179 H LEU 608 H LEU 608 -0.555 -4.725 9.915 180 HA LEU 608 HA LEU 608 1.992 -4.182 8.700 181 HB2 LEU 608 2HB LEU 608 -0.790 -4.481 7.660 182 HB3 LEU 608 1HB LEU 608 0.509 -3.961 6.578 183 HG LEU 608 HG LEU 608 1.622 -6.191 7.125 184 HD13 LEU 608 1HD LEU 608 -1.041 -6.816 8.350 185 HD21 LEU 608 2HD LEU 608 0.438 -5.827 5.048 186 H THR 609 H THR 609 -0.518 -2.327 10.020 187 HA THR 609 HA THR 609 -0.179 0.099 8.503 188 HB THR 609 HB THR 609 -1.288 -0.340 11.292 189 HG1 THR 609 1HG THR 609 -2.769 -0.184 8.888 190 HG21 THR 609 2HG THR 609 -1.769 1.856 9.269 191 H LYS 610 H LYS 610 1.205 1.680 8.773 192 HA LYS 610 HA LYS 610 2.835 1.706 11.213 193 HB2 LYS 610 2HB LYS 610 3.815 2.134 8.396 194 HB3 LYS 610 1HB LYS 610 4.717 2.443 9.866 195 HG2 LYS 610 2HG LYS 610 4.657 0.052 10.388 196 HG3 LYS 610 1HG LYS 610 3.753 -0.243 8.905 197 HD2 LYS 610 2HD LYS 610 6.097 -0.722 8.502 198 HD3 LYS 610 1HD LYS 610 5.605 0.730 7.623 199 HE2 LYS 610 2HE LYS 610 6.616 2.124 9.355 200 HE3 LYS 610 1HE LYS 610 7.100 0.667 10.226 201 HZ1 LYS 610 3HZ LYS 610 8.460 0.050 8.317 202 HZ2 LYS 610 1HZ LYS 610 8.920 1.514 8.960 203 HZ3 LYS 610 2HZ LYS 610 8.032 1.481 7.533 204 H LYS 611 H LYS 611 3.221 3.739 11.965 205 HA LYS 611 HA LYS 611 1.639 5.908 11.012 206 HB2 LYS 611 2HB LYS 611 2.510 5.518 13.356 207 HB3 LYS 611 1HB LYS 611 4.061 6.003 12.761 208 HG2 LYS 611 2HG LYS 611 3.190 8.183 12.069 209 HG3 LYS 611 1HG LYS 611 1.622 7.761 12.760 210 HD2 LYS 611 2HD LYS 611 2.677 7.502 14.949 211 HD3 LYS 611 1HD LYS 611 4.233 7.955 14.247 212 HE2 LYS 611 2HE LYS 611 3.260 10.119 13.592 213 HE3 LYS 611 1HE LYS 611 1.759 9.663 14.394 214 HZ1 LYS 611 3HZ LYS 611 3.113 11.034 15.818 215 HZ2 LYS 611 1HZ LYS 611 4.409 9.985 15.649 216 HZ3 LYS 611 2HZ LYS 611 3.027 9.471 16.483 217 H ASP 612 H ASP 612 4.926 4.911 10.847 218 HA ASP 612 HA ASP 612 5.983 7.199 9.509 219 HB2 ASP 612 2HB ASP 612 7.439 5.656 10.763 220 HB3 ASP 612 1HB ASP 612 7.110 4.390 9.588 221 H ALA 613 H ALA 613 4.354 4.401 8.470 222 HA ALA 613 HA ALA 613 3.349 3.808 6.561 223 HB1 ALA 613 1HB ALA 613 2.743 6.172 6.370 224 HB2 ALA 613 2HB ALA 613 2.974 5.407 4.797 225 HB3 ALA 613 3HB ALA 613 4.217 6.467 5.451 226 H TYR 614 H TYR 614 3.711 3.617 4.093 227 HA TYR 614 HA TYR 614 6.434 2.627 3.688 228 HB2 TYR 614 2HB TYR 614 3.777 1.749 2.545 229 HB3 TYR 614 1HB TYR 614 5.335 1.140 2.004 230 HD1 TYR 614 2HD TYR 614 3.217 1.431 5.120 231 HD2 TYR 614 1HD TYR 614 6.242 -0.751 3.019 232 HE1 TYR 614 2HE TYR 614 3.136 -0.247 6.783 233 HE2 TYR 614 1HE TYR 614 6.163 -2.486 4.728 234 HH TYR 614 HH TYR 614 3.670 -2.592 7.055 235 H LYS 615 H LYS 615 7.584 3.605 2.079 236 HA LYS 615 HA LYS 615 6.078 5.172 0.192 237 HB2 LYS 615 2HB LYS 615 7.297 6.649 1.475 238 HB3 LYS 615 1HB LYS 615 8.733 5.685 1.563 239 HG2 LYS 615 2HG LYS 615 8.819 6.003 -0.976 240 HG3 LYS 615 1HG LYS 615 7.624 7.281 -0.653 241 HD2 LYS 615 2HD LYS 615 9.114 8.539 0.591 242 HD3 LYS 615 1HD LYS 615 10.128 7.147 0.967 243 HE2 LYS 615 2HE LYS 615 10.813 6.971 -1.244 244 HE3 LYS 615 1HE LYS 615 9.804 8.324 -1.757 245 HZ1 LYS 615 3HZ LYS 615 11.228 9.841 -0.500 246 HZ2 LYS 615 1HZ LYS 615 12.165 8.844 -1.490 247 HZ3 LYS 615 2HZ LYS 615 12.103 8.523 0.150 248 H VAL 616 H VAL 616 6.433 4.844 -1.847 249 HA VAL 616 HA VAL 616 8.472 2.909 -2.777 250 HB VAL 616 HB VAL 616 5.803 3.559 -4.057 251 HG13 VAL 616 1HG VAL 616 7.799 1.408 -4.712 252 HG21 VAL 616 2HG VAL 616 5.031 1.327 -3.348 253 H GLU 617 H GLU 617 9.644 3.657 -4.612 254 HA GLU 617 HA GLU 617 9.060 6.458 -5.344 255 HB2 GLU 617 2HB GLU 617 11.735 5.096 -5.383 256 HB3 GLU 617 1HB GLU 617 11.420 6.772 -5.802 257 HG2 GLU 617 2HG GLU 617 10.689 7.129 -3.462 258 HG3 GLU 617 1HG GLU 617 11.214 5.481 -3.102 259 H THR 618 H THR 618 9.313 7.067 -7.507 260 HA THR 618 HA THR 618 9.865 4.909 -9.372 261 HB THR 618 HB THR 618 8.347 6.051 -10.956 262 HG1 THR 618 1HG THR 618 7.250 7.828 -10.430 263 HG21 THR 618 2HG THR 618 6.992 5.458 -8.329 264 H ASP 619 H ASP 619 10.033 6.632 -11.580 265 HA ASP 619 HA ASP 619 12.646 7.550 -11.421 266 HB2 ASP 619 2HB ASP 619 10.453 8.288 -13.362 267 HB3 ASP 619 1HB ASP 619 12.148 8.694 -13.579 268 H LYS 620 H LYS 620 9.616 9.415 -11.298 269 HA LYS 620 HA LYS 620 11.186 11.616 -10.131 270 HB2 LYS 620 2HB LYS 620 9.143 11.855 -12.325 271 HB3 LYS 620 1HB LYS 620 9.732 13.237 -11.425 272 HG2 LYS 620 2HG LYS 620 12.000 12.839 -12.219 273 HG3 LYS 620 1HG LYS 620 11.475 11.373 -13.032 274 HD2 LYS 620 2HD LYS 620 10.466 14.147 -13.698 275 HD3 LYS 620 1HD LYS 620 11.783 13.348 -14.551 276 HE2 LYS 620 2HE LYS 620 10.214 11.503 -15.130 277 HE3 LYS 620 1HE LYS 620 8.911 12.416 -14.375 278 HZ1 LYS 620 3HZ LYS 620 10.532 13.331 -16.694 279 HZ2 LYS 620 1HZ LYS 620 9.242 14.180 -16.019 280 HZ3 LYS 620 2HZ LYS 620 8.986 12.703 -16.791 281 H TYR 621 H TYR 621 8.840 9.551 -9.414 282 HA TYR 621 HA TYR 621 7.591 11.486 -7.620 283 HB2 TYR 621 2HB TYR 621 6.191 9.330 -9.213 284 HB3 TYR 621 1HB TYR 621 5.461 10.155 -7.846 285 HD1 TYR 621 1HD TYR 621 7.099 10.887 -11.104 286 HD2 TYR 621 2HD TYR 621 4.190 12.040 -8.250 287 HE1 TYR 621 1HE TYR 621 6.386 12.637 -12.590 288 HE2 TYR 621 2HE TYR 621 3.431 13.826 -9.750 289 HH TYR 621 HH TYR 621 4.351 13.957 -12.995 290 H GLU 622 H GLU 622 6.653 10.478 -5.734 291 HA GLU 622 HA GLU 622 7.489 7.774 -5.230 292 HB2 GLU 622 2HB GLU 622 8.261 8.330 -3.008 293 HB3 GLU 622 1HB GLU 622 9.238 9.175 -4.205 294 HG2 GLU 622 2HG GLU 622 7.795 11.184 -3.793 295 HG3 GLU 622 1HG GLU 622 7.021 10.263 -2.553 296 H PHE 623 H PHE 623 6.185 6.798 -3.765 297 HA PHE 623 HA PHE 623 3.701 8.253 -3.351 298 HB2 PHE 623 2HB PHE 623 4.055 5.295 -3.921 299 HB3 PHE 623 1HB PHE 623 2.519 6.069 -3.589 300 HD1 PHE 623 1HD PHE 623 5.363 6.069 -5.997 301 HD2 PHE 623 2HD PHE 623 1.243 6.932 -5.363 302 HE1 PHE 623 1HE PHE 623 5.075 6.469 -8.396 303 HE2 PHE 623 2HE PHE 623 0.962 7.337 -7.755 304 HZ PHE 623 HZ PHE 623 2.879 7.102 -9.279 305 H HIS 624 H HIS 624 3.142 8.373 -1.210 306 HA HIS 624 HA HIS 624 4.287 6.411 0.658 307 HB2 HIS 624 2HB HIS 624 3.093 9.144 1.184 308 HB3 HIS 624 1HB HIS 624 3.616 8.023 2.427 309 HD1 HIS 624 1HD HIS 624 6.136 7.903 2.920 310 HD2 HIS 624 2HD HIS 624 5.154 10.467 -0.200 311 HE1 HIS 624 1HE HIS 624 8.189 9.168 2.460 312 HE2 HIS 624 2HE HIS 624 7.661 10.438 0.340 313 H ILE 625 H ILE 625 2.922 4.948 1.406 314 HA ILE 625 HA ILE 625 0.085 5.606 1.534 315 HB ILE 625 HB ILE 625 -0.570 3.459 0.599 316 HG12 ILE 625 1HG ILE 625 2.386 2.960 0.322 317 HG23 ILE 625 2HG ILE 625 0.075 3.731 -1.763 318 HD11 ILE 625 1HD ILE 625 0.092 1.200 -0.609 319 H ASN 626 H ASN 626 -0.992 4.304 3.006 320 HA ASN 626 HA ASN 626 0.675 2.661 4.809 321 HB2 ASN 626 2HB ASN 626 0.327 4.907 5.814 322 HB3 ASN 626 1HB ASN 626 -1.412 4.690 5.661 323 HD21 ASN 626 2HD ASN 626 -1.250 3.725 8.992 324 H VAL 627 H VAL 627 -0.509 0.970 5.844 325 HA VAL 627 HA VAL 627 -2.846 0.133 4.359 326 HB VAL 627 HB VAL 627 -1.520 -1.204 6.742 327 HG13 VAL 627 1HG VAL 627 -2.922 -3.144 6.177 328 HG21 VAL 627 2HG VAL 627 -0.721 -2.817 5.109 329 H CYS 628 H CYS 628 -4.652 1.019 4.837 330 HA CYS 628 HA CYS 628 -6.544 1.396 5.936 331 HB2 CYS 628 2HB CYS 628 -6.205 -0.574 7.265 332 HB3 CYS 628 1HB CYS 628 -5.012 0.235 8.265 333 H GLY 629 H GLY 629 -7.402 3.119 6.806 334 HA2 GLY 629 2HA GLY 629 -7.662 5.159 7.892 335 HA3 GLY 629 1HA GLY 629 -6.179 4.832 8.764 336 HA PRO 630 HA PRO 630 -4.934 8.052 5.894 337 HB2 PRO 630 2HB PRO 630 -3.873 9.668 7.668 338 HB3 PRO 630 1HB PRO 630 -5.626 9.577 7.438 339 HG2 PRO 630 2HG PRO 630 -3.937 8.243 9.550 340 HG3 PRO 630 1HG PRO 630 -5.470 9.142 9.775 341 HD2 PRO 630 2HD PRO 630 -5.174 6.440 9.622 342 HD3 PRO 630 1HD PRO 630 -6.664 7.299 9.177 343 H VAL 631 H VAL 631 -2.759 8.959 5.646 344 HA VAL 631 HA VAL 631 -0.680 7.156 6.600 345 HB VAL 631 HB VAL 631 -1.039 7.279 4.131 346 HG13 VAL 631 1HG VAL 631 -1.742 9.469 3.767 347 HG21 VAL 631 2HG VAL 631 1.073 6.557 4.842 348 H SER 632 H SER 632 0.843 8.059 7.915 349 HA SER 632 HA SER 632 0.437 10.867 8.442 350 HB2 SER 632 2HB SER 632 0.284 9.408 10.376 351 HB3 SER 632 1HB SER 632 1.910 8.784 10.084 352 HG SER 632 HG SER 632 2.712 10.843 10.518 353 H VAL 633 H VAL 633 1.405 11.471 6.524 354 HA VAL 633 HA VAL 633 4.366 11.453 6.613 355 HB VAL 633 HB VAL 633 2.626 12.191 4.243 356 HG13 VAL 633 1HG VAL 633 5.563 11.570 4.402 357 HG21 VAL 633 2HG VAL 633 3.215 10.028 3.281 358 H GLY 634 H GLY 634 5.380 13.372 6.889 359 HA2 GLY 634 2HA GLY 634 3.779 15.658 7.592 360 HA3 GLY 634 1HA GLY 634 5.533 15.560 7.622 361 H ALA 635 H ALA 635 3.438 14.904 4.913 362 HA ALA 635 HA ALA 635 4.148 17.411 3.625 363 HB1 ALA 635 1HB ALA 635 5.959 15.886 2.973 364 HB2 ALA 635 2HB ALA 635 4.958 16.321 1.589 365 HB3 ALA 635 3HB ALA 635 4.774 14.740 2.349 366 H CYS 636 H CYS 636 1.835 15.201 4.460 367 HA CYS 636 HA CYS 636 0.115 16.018 2.289 368 HB2 CYS 636 2HB CYS 636 0.459 13.165 3.257 369 HB3 CYS 636 1HB CYS 636 -0.741 13.706 2.089 370 HA PRO 637 HA PRO 637 -2.644 16.771 5.657 371 HB2 PRO 637 2HB PRO 637 -4.937 15.806 4.116 372 HB3 PRO 637 1HB PRO 637 -4.593 17.435 4.690 373 HG2 PRO 637 2HG PRO 637 -4.429 16.789 2.070 374 HG3 PRO 637 1HG PRO 637 -3.368 17.995 2.818 375 HD2 PRO 637 2HD PRO 637 -2.799 15.152 2.093 376 HD3 PRO 637 1HD PRO 637 -1.765 16.590 1.947 377 HA PRO 638 HA PRO 638 -3.272 12.941 7.921 378 HB2 PRO 638 2HB PRO 638 -5.404 14.530 9.259 379 HB3 PRO 638 1HB PRO 638 -4.070 13.610 9.973 380 HG2 PRO 638 2HG PRO 638 -3.932 16.244 9.882 381 HG3 PRO 638 1HG PRO 638 -2.503 15.271 9.489 382 HD2 PRO 638 2HD PRO 638 -4.372 16.709 7.646 383 HD3 PRO 638 1HD PRO 638 -2.610 16.552 7.584 384 H ASP 639 H ASP 639 -5.799 14.436 6.101 385 HA ASP 639 HA ASP 639 -7.574 12.156 6.476 386 HB2 ASP 639 2HB ASP 639 -7.935 14.734 4.988 387 HB3 ASP 639 1HB ASP 639 -8.975 13.368 4.625 388 H SER 640 H SER 640 -4.878 12.435 4.761 389 HA SER 640 HA SER 640 -5.984 10.958 2.493 390 HB2 SER 640 2HB SER 640 -3.227 12.174 2.849 391 HB3 SER 640 1HB SER 640 -3.841 11.409 1.382 392 HG SER 640 HG SER 640 -5.387 13.417 2.462 393 H GLY 641 H GLY 641 -5.517 8.818 2.241 394 HA2 GLY 641 2HA GLY 641 -3.835 7.549 4.298 395 HA3 GLY 641 1HA GLY 641 -5.038 6.717 3.318 396 H ALA 642 H ALA 642 -3.973 8.220 0.952 397 HA ALA 642 HA ALA 642 -1.302 7.109 0.632 398 HB1 ALA 642 1HB ALA 642 -2.710 5.372 -0.289 399 HB2 ALA 642 2HB ALA 642 -1.958 6.253 -1.605 400 HB3 ALA 642 3HB ALA 642 -3.648 6.570 -1.216 401 H CYS 643 H CYS 643 -0.061 8.558 -0.187 402 HA CYS 643 HA CYS 643 -1.199 10.723 -1.772 403 HB2 CYS 643 2HB CYS 643 -1.263 11.530 0.494 404 HB3 CYS 643 1HB CYS 643 0.394 11.021 0.768 405 H GLN 644 H GLN 644 0.132 11.304 -3.397 406 HA GLN 644 HA GLN 644 2.850 10.206 -3.323 407 HB2 GLN 644 2HB GLN 644 2.949 10.510 -5.659 408 HB3 GLN 644 1HB GLN 644 1.695 9.296 -5.294 409 HG2 GLN 644 2HG GLN 644 0.048 11.161 -5.702 410 HG3 GLN 644 1HG GLN 644 1.437 12.174 -6.079 411 HE21 GLN 644 2HE GLN 644 -0.126 10.700 -9.175 412 H VAL 645 H VAL 645 4.529 11.477 -3.890 413 HA VAL 645 HA VAL 645 3.930 14.240 -4.391 414 HB VAL 645 HB VAL 645 4.362 14.191 -1.978 415 HG13 VAL 645 1HG VAL 645 5.556 12.144 -1.796 416 HG21 VAL 645 2HG VAL 645 5.218 16.140 -3.166 417 H SER 646 H SER 646 5.109 15.114 -5.840 418 HA SER 646 HA SER 646 6.780 13.500 -7.471 419 HB2 SER 646 2HB SER 646 5.356 15.209 -8.450 420 HB3 SER 646 1HB SER 646 6.175 16.460 -7.516 421 HG SER 646 HG SER 646 6.741 15.867 -9.844 422 H ARG 647 H ARG 647 8.796 13.064 -6.947 423 HA ARG 647 HA ARG 647 10.256 14.625 -5.048 424 HB2 ARG 647 2HB ARG 647 12.046 13.037 -5.324 425 HB3 ARG 647 1HB ARG 647 10.542 12.143 -5.426 426 HG2 ARG 647 2HG ARG 647 10.737 12.174 -7.883 427 HG3 ARG 647 1HG ARG 647 12.324 12.918 -7.709 428 HD2 ARG 647 2HD ARG 647 11.459 10.212 -6.687 429 HD3 ARG 647 1HD ARG 647 12.585 10.555 -7.997 430 HE ARG 647 HE ARG 647 13.625 11.797 -5.792 431 HH12 ARG 647 1HH ARG 647 13.935 7.751 -5.613 432 HH21 ARG 647 2HH ARG 647 15.242 9.080 -4.211 433 H SER 648 H SER 648 9.689 14.754 -8.369 434 HA SER 648 HA SER 648 12.026 16.248 -9.134 435 HB2 SER 648 2HB SER 648 10.865 14.715 -10.706 436 HB3 SER 648 1HB SER 648 9.426 15.699 -10.562 437 HG SER 648 HG SER 648 11.794 16.954 -11.349 438 H ASP 649 H ASP 649 8.513 17.004 -8.745 439 HA ASP 649 HA ASP 649 9.242 19.841 -9.011 440 HB2 ASP 649 2HB ASP 649 7.675 18.946 -10.705 441 HB3 ASP 649 1HB ASP 649 6.522 18.622 -9.416 442 H ARG 650 H ARG 650 8.259 17.682 -6.709 443 HA ARG 650 HA ARG 650 7.622 17.800 -4.581 444 HB2 ARG 650 2HB ARG 650 8.396 20.703 -4.818 445 HB3 ARG 650 1HB ARG 650 7.765 20.035 -3.324 446 HG2 ARG 650 2HG ARG 650 10.160 20.098 -3.183 447 HG3 ARG 650 1HG ARG 650 9.646 18.417 -3.313 448 HD2 ARG 650 2HD ARG 650 10.184 18.513 -5.739 449 HD3 ARG 650 1HD ARG 650 10.815 20.142 -5.493 450 HE ARG 650 HE ARG 650 11.974 18.266 -3.710 451 HH12 ARG 650 1HH ARG 650 13.800 18.964 -7.251 452 HH21 ARG 650 2HH ARG 650 14.921 17.780 -5.502 453 H LYS 651 H LYS 651 5.668 18.270 -6.725 454 HA LYS 651 HA LYS 651 3.502 19.431 -5.178 455 HB2 LYS 651 2HB LYS 651 3.417 17.892 -7.745 456 HB3 LYS 651 1HB LYS 651 2.045 18.625 -6.939 457 HG2 LYS 651 2HG LYS 651 3.500 20.717 -7.081 458 HG3 LYS 651 1HG LYS 651 4.315 19.815 -8.342 459 HD2 LYS 651 2HD LYS 651 2.249 19.292 -9.472 460 HD3 LYS 651 1HD LYS 651 1.337 20.193 -8.266 461 HE2 LYS 651 2HE LYS 651 1.500 21.495 -10.079 462 HE3 LYS 651 1HE LYS 651 2.624 22.175 -8.909 463 HZ1 LYS 651 3HZ LYS 651 3.671 22.116 -11.135 464 HZ2 LYS 651 1HZ LYS 651 3.404 20.478 -11.232 465 HZ3 LYS 651 2HZ LYS 651 4.474 21.090 -10.062 466 H SER 652 H SER 652 1.848 18.182 -4.194 467 HA SER 652 HA SER 652 2.136 15.329 -4.506 468 HB2 SER 652 2HB SER 652 1.537 14.998 -2.137 469 HB3 SER 652 1HB SER 652 3.095 15.745 -2.376 470 HG SER 652 HG SER 652 1.733 16.730 -0.719 471 H TRP 653 H TRP 653 0.244 14.127 -4.208 472 HA TRP 653 HA TRP 653 -2.223 15.694 -4.597 473 HB2 TRP 653 2HB TRP 653 -1.374 13.287 -6.234 474 HB3 TRP 653 1HB TRP 653 -2.953 14.043 -6.312 475 HD1 TRP 653 HD TRP 653 -3.187 16.170 -7.863 476 HE1 TRP 653 1HE TRP 653 -1.583 17.339 -9.523 477 HE3 TRP 653 3HE TRP 653 1.150 13.906 -6.519 478 HZ2 TRP 653 2HZ TRP 653 1.166 17.285 -10.165 479 HZ3 TRP 653 3HZ TRP 653 3.216 14.479 -7.659 480 HH2 TRP 653 HH TRP 653 3.235 16.158 -9.468 481 H ASN 654 H ASN 654 -4.164 14.389 -4.248 482 HA ASN 654 HA ASN 654 -3.816 12.598 -1.955 483 HB2 ASN 654 2HB ASN 654 -5.541 14.642 -2.113 484 HB3 ASN 654 1HB ASN 654 -6.333 13.591 -3.215 485 HD21 ASN 654 2HD ASN 654 -7.625 13.317 0.297 486 H LEU 655 H LEU 655 -3.939 10.415 -2.356 487 HA LEU 655 HA LEU 655 -5.061 9.596 -4.949 488 HB2 LEU 655 2HB LEU 655 -3.140 8.108 -3.178 489 HB3 LEU 655 1HB LEU 655 -3.646 7.654 -4.788 490 HG LEU 655 HG LEU 655 -1.871 9.942 -4.003 491 HD13 LEU 655 1HD LEU 655 -0.251 8.778 -5.407 492 HD21 LEU 655 2HD LEU 655 -2.971 9.255 -6.724 493 H GLY 656 H GLY 656 -6.164 10.009 -2.096 494 HA2 GLY 656 2HA GLY 656 -8.340 8.638 -2.053 495 HA3 GLY 656 1HA GLY 656 -7.243 7.340 -1.627 496 H ARG 657 H ARG 657 -9.294 9.433 -0.400 497 HA ARG 657 HA ARG 657 -7.846 10.356 1.804 498 HB2 ARG 657 2HB ARG 657 -10.780 10.184 1.206 499 HB3 ARG 657 1HB ARG 657 -10.179 10.735 2.765 500 HG2 ARG 657 2HG ARG 657 -8.953 12.520 1.713 501 HG3 ARG 657 1HG ARG 657 -9.431 11.946 0.120 502 HD2 ARG 657 2HD ARG 657 -11.321 12.940 2.257 503 HD3 ARG 657 1HD ARG 657 -10.724 13.897 0.902 504 HE ARG 657 HE ARG 657 -12.173 11.411 0.361 505 HH12 ARG 657 1HH ARG 657 -13.404 15.062 -0.818 506 HH21 ARG 657 2HH ARG 657 -14.451 13.162 -1.636 507 H SER 658 H SER 658 -8.391 9.810 4.010 508 HA SER 658 HA SER 658 -7.480 7.268 4.484 509 HB2 SER 658 2HB SER 658 -8.115 7.794 6.861 510 HB3 SER 658 1HB SER 658 -7.042 8.942 6.055 511 HG SER 658 HG SER 658 -8.923 9.730 7.302 512 H ASN 659 H ASN 659 -8.320 5.385 4.743 513 HA ASN 659 HA ASN 659 -11.132 4.995 5.279 514 HB2 ASN 659 2HB ASN 659 -10.958 5.243 2.837 515 HB3 ASN 659 1HB ASN 659 -9.743 3.959 2.832 516 HD21 ASN 659 2HD ASN 659 -12.362 1.883 2.009 517 H ALA 660 H ALA 660 -11.403 3.039 6.253 518 HA ALA 660 HA ALA 660 -8.907 1.555 6.669 519 HB1 ALA 660 1HB ALA 660 -9.632 0.989 8.857 520 HB2 ALA 660 2HB ALA 660 -11.164 1.865 8.646 521 HB3 ALA 660 3HB ALA 660 -9.611 2.732 8.653 522 H LYS 661 H LYS 661 -11.780 1.452 5.187 523 HA LYS 661 HA LYS 661 -12.664 -1.136 5.962 524 HB2 LYS 661 2HB LYS 661 -13.418 0.354 3.436 525 HB3 LYS 661 1HB LYS 661 -14.292 -0.939 4.240 526 HG2 LYS 661 2HG LYS 661 -13.944 1.853 5.239 527 HG3 LYS 661 1HG LYS 661 -15.413 1.117 4.606 528 HD2 LYS 661 2HD LYS 661 -15.200 -0.569 6.504 529 HD3 LYS 661 1HD LYS 661 -13.921 0.514 7.105 530 HE2 LYS 661 2HE LYS 661 -16.726 1.321 6.524 531 HE3 LYS 661 1HE LYS 661 -16.129 0.943 8.150 532 HZ1 LYS 661 3HZ LYS 661 -16.134 3.334 7.772 533 HZ2 LYS 661 1HZ LYS 661 -15.207 3.187 6.387 534 HZ3 LYS 661 2HZ LYS 661 -14.546 2.814 7.883 535 H LEU 662 H LEU 662 -11.401 -2.785 5.555 536 HA LEU 662 HA LEU 662 -9.787 -2.910 3.162 537 HB2 LEU 662 2HB LEU 662 -10.305 -4.884 5.334 538 HB3 LEU 662 1HB LEU 662 -9.161 -5.184 4.025 539 HG LEU 662 HG LEU 662 -8.979 -3.279 6.353 540 HD13 LEU 662 1HD LEU 662 -7.258 -5.565 5.432 541 HD21 LEU 662 2HD LEU 662 -8.177 -2.090 4.428 542 H SER 663 H SER 663 -10.041 -4.580 1.552 543 HA SER 663 HA SER 663 -12.751 -5.639 1.466 544 HB2 SER 663 2HB SER 663 -11.093 -4.501 -0.780 545 HB3 SER 663 1HB SER 663 -12.678 -5.257 -0.957 546 HG SER 663 HG SER 663 -12.516 -3.311 0.958 547 H TYR 664 H TYR 664 -12.940 -7.738 0.803 548 HA TYR 664 HA TYR 664 -10.395 -9.130 0.284 549 HB2 TYR 664 2HB TYR 664 -11.877 -9.671 2.449 550 HB3 TYR 664 1HB TYR 664 -12.864 -10.503 1.291 551 HD1 TYR 664 2HD TYR 664 -11.572 -12.202 -0.285 552 HD2 TYR 664 1HD TYR 664 -10.265 -10.871 3.507 553 HE1 TYR 664 2HE TYR 664 -10.128 -14.168 -0.127 554 HE2 TYR 664 1HE TYR 664 -8.777 -12.842 3.678 555 HH TYR 664 HH TYR 664 -8.540 -15.049 2.775 556 H TYR 665 H TYR 665 -10.319 -10.397 -1.494 557 HA TYR 665 HA TYR 665 -12.709 -10.706 -3.118 558 HB2 TYR 665 2HB TYR 665 -9.839 -10.208 -3.886 559 HB3 TYR 665 1HB TYR 665 -11.056 -10.764 -5.034 560 HD1 TYR 665 2HD TYR 665 -10.081 -8.007 -2.810 561 HD2 TYR 665 1HD TYR 665 -12.643 -9.327 -5.895 562 HE1 TYR 665 2HE TYR 665 -10.820 -5.714 -3.159 563 HE2 TYR 665 1HE TYR 665 -13.394 -7.095 -6.271 564 HH TYR 665 HH TYR 665 -13.475 -4.968 -5.214 565 H ASP 666 H ASP 666 -12.812 -13.009 -3.855 566 HA ASP 666 HA ASP 666 -11.498 -14.824 -2.141 567 HB2 ASP 666 2HB ASP 666 -13.544 -15.508 -3.349 568 HB3 ASP 666 1HB ASP 666 -12.653 -15.476 -4.867 569 H GLY 667 H GLY 667 -9.500 -15.447 -2.024 570 HA2 GLY 667 2HA GLY 667 -7.631 -16.479 -3.205 571 HA3 GLY 667 1HA GLY 667 -7.864 -15.259 -4.447 572 H MET 668 H MET 668 -8.199 -12.938 -2.841 573 HA MET 668 HA MET 668 -6.023 -12.763 -1.096 574 HB2 MET 668 2HB MET 668 -4.522 -11.262 -2.276 575 HB3 MET 668 1HB MET 668 -4.632 -12.805 -3.072 576 HG2 MET 668 2HG MET 668 -5.974 -10.258 -4.018 577 HG3 MET 668 1HG MET 668 -4.410 -10.810 -4.569 578 HE1 MET 668 3HE MET 668 -8.543 -12.266 -5.976 579 HE2 MET 668 1HE MET 668 -8.140 -10.696 -5.283 580 HE3 MET 668 2HE MET 668 -8.206 -12.119 -4.253 581 H ILE 669 H ILE 669 -5.479 -10.491 -0.469 582 HA ILE 669 HA ILE 669 -8.050 -9.189 -0.030 583 HB ILE 669 HB ILE 669 -5.436 -8.708 1.488 584 HG12 ILE 669 1HG ILE 669 -6.632 -9.866 3.431 585 HG23 ILE 669 2HG ILE 669 -6.923 -6.795 1.556 586 HD11 ILE 669 1HD ILE 669 -6.206 -12.158 2.800 587 H GLN 670 H GLN 670 -8.396 -7.050 -0.572 588 HA GLN 670 HA GLN 670 -6.184 -5.570 -1.738 589 HB2 GLN 670 2HB GLN 670 -8.869 -6.058 -3.022 590 HB3 GLN 670 1HB GLN 670 -7.940 -4.620 -3.410 591 HG2 GLN 670 2HG GLN 670 -6.200 -5.901 -4.387 592 HG3 GLN 670 1HG GLN 670 -6.865 -7.436 -3.780 593 HE21 GLN 670 2HE GLN 670 -9.121 -5.685 -6.674 594 H LEU 671 H LEU 671 -6.302 -3.385 -1.431 595 HA LEU 671 HA LEU 671 -8.392 -2.579 0.498 596 HB2 LEU 671 2HB LEU 671 -5.938 -2.798 1.264 597 HB3 LEU 671 1HB LEU 671 -5.621 -1.377 0.287 598 HG LEU 671 HG LEU 671 -7.326 -1.616 2.749 599 HD13 LEU 671 1HD LEU 671 -5.012 -1.610 3.231 600 HD21 LEU 671 2HD LEU 671 -8.395 -0.005 1.284 601 H THR 672 H THR 672 -9.641 -1.022 -0.240 602 HA THR 672 HA THR 672 -8.797 0.446 -2.627 603 HB THR 672 HB THR 672 -11.609 -0.061 -1.617 604 HG1 THR 672 1HG THR 672 -9.900 -1.765 -2.602 605 HG21 THR 672 2HG THR 672 -10.515 0.766 -4.321 606 H TYR 673 H TYR 673 -8.439 2.566 -2.226 607 HA TYR 673 HA TYR 673 -9.568 3.669 0.207 608 HB2 TYR 673 2HB TYR 673 -7.347 4.449 -1.517 609 HB3 TYR 673 1HB TYR 673 -8.072 5.724 -0.516 610 HD1 TYR 673 1HD TYR 673 -8.264 5.199 1.949 611 HD2 TYR 673 2HD TYR 673 -5.680 3.046 -0.637 612 HE1 TYR 673 1HE TYR 673 -7.005 4.429 3.884 613 HE2 TYR 673 2HE TYR 673 -4.396 2.257 1.316 614 HH TYR 673 HH TYR 673 -4.017 2.986 3.758 615 H ARG 674 H ARG 674 -9.917 6.190 -0.107 616 HA ARG 674 HA ARG 674 -12.333 6.136 -1.625 617 HB2 ARG 674 2HB ARG 674 -11.196 8.295 0.106 618 HB3 ARG 674 1HB ARG 674 -12.769 8.328 -0.696 619 HG2 ARG 674 2HG ARG 674 -11.823 6.384 1.368 620 HG3 ARG 674 1HG ARG 674 -13.024 7.655 1.649 621 HD2 ARG 674 2HD ARG 674 -13.304 5.178 -0.094 622 HD3 ARG 674 1HD ARG 674 -14.239 5.603 1.334 623 HE ARG 674 HE ARG 674 -14.936 7.603 -0.060 624 HH12 ARG 674 1HH ARG 674 -15.521 4.522 -2.664 625 HH21 ARG 674 2HH ARG 674 -16.529 6.629 -3.070 626 H ASP 675 H ASP 675 -12.925 8.391 -2.536 627 HA ASP 675 HA ASP 675 -11.667 8.397 -5.030 628 HB2 ASP 675 2HB ASP 675 -13.358 10.062 -5.555 629 HB3 ASP 675 1HB ASP 675 -14.059 8.720 -4.672 630 H GLY 676 H GLY 676 -11.563 10.572 -2.287 631 HA2 GLY 676 2HA GLY 676 -10.112 12.289 -1.708 632 HA3 GLY 676 1HA GLY 676 -8.930 11.438 -2.690 633 H THR 677 H THR 677 -7.998 12.791 -4.077 634 HA THR 677 HA THR 677 -9.465 15.096 -5.016 635 HB THR 677 HB THR 677 -6.503 14.471 -5.007 636 HG1 THR 677 1HG THR 677 -8.229 15.735 -3.319 637 HG21 THR 677 2HG THR 677 -7.880 17.011 -5.934 638 HA PRO 678 HA PRO 678 -9.601 12.952 -9.026 639 HB2 PRO 678 2HB PRO 678 -10.856 14.748 -10.472 640 HB3 PRO 678 1HB PRO 678 -11.666 13.956 -9.151 641 HG2 PRO 678 2HG PRO 678 -10.336 16.646 -9.014 642 HG3 PRO 678 1HG PRO 678 -11.997 16.226 -8.545 643 HD2 PRO 678 2HD PRO 678 -10.027 16.325 -6.711 644 HD3 PRO 678 1HD PRO 678 -11.310 15.091 -6.654 645 H TYR 679 H TYR 679 -8.645 13.075 -11.015 646 HA TYR 679 HA TYR 679 -5.987 13.795 -11.121 647 HB2 TYR 679 2HB TYR 679 -7.743 13.740 -13.587 648 HB3 TYR 679 1HB TYR 679 -5.997 13.591 -13.554 649 HD1 TYR 679 2HD TYR 679 -5.177 11.552 -11.938 650 HD2 TYR 679 1HD TYR 679 -8.936 11.879 -13.860 651 HE1 TYR 679 2HE TYR 679 -5.468 9.091 -11.801 652 HE2 TYR 679 1HE TYR 679 -9.219 9.415 -13.715 653 HH TYR 679 HH TYR 679 -7.272 7.489 -11.803 654 H ASN 680 H ASN 680 -8.115 15.540 -13.341 655 HA ASN 680 HA ASN 680 -8.011 18.134 -12.388 656 HB2 ASN 680 2HB ASN 680 -6.234 19.267 -13.662 657 HB3 ASN 680 1HB ASN 680 -5.521 18.034 -12.638 658 HD21 ASN 680 2HD ASN 680 -4.182 16.215 -15.287 659 H ASN 681 H ASN 681 -9.377 16.037 -14.233 660 HA ASN 681 HA ASN 681 -9.399 17.410 -16.748 661 HB2 ASN 681 2HB ASN 681 -10.760 15.453 -17.466 662 HB3 ASN 681 1HB ASN 681 -9.176 15.011 -16.847 663 HD21 ASN 681 2HD ASN 681 -12.032 12.872 -15.525 664 H GLU 682 H GLU 682 -11.533 17.638 -17.779 665 HA GLU 682 HA GLU 682 -13.134 19.472 -16.467 666 HB2 GLU 682 2HB GLU 682 -12.970 19.269 -18.888 667 HB3 GLU 682 1HB GLU 682 -13.773 17.714 -18.826 668 HG2 GLU 682 2HG GLU 682 -15.801 18.811 -17.996 669 HG3 GLU 682 1HG GLU 682 -14.981 20.369 -18.111 670 H LYS 683 H LYS 683 -13.578 15.995 -16.846 671 HA LYS 683 HA LYS 683 -16.176 15.951 -15.646 672 HB2 LYS 683 2HB LYS 683 -15.452 14.254 -17.245 673 HB3 LYS 683 1HB LYS 683 -14.201 13.731 -16.129 674 HG2 LYS 683 2HG LYS 683 -15.905 13.040 -14.532 675 HG3 LYS 683 1HG LYS 683 -17.171 13.585 -15.637 676 HD2 LYS 683 2HD LYS 683 -16.397 12.053 -17.294 677 HD3 LYS 683 1HD LYS 683 -15.115 11.480 -16.217 678 HE2 LYS 683 2HE LYS 683 -16.843 10.722 -14.606 679 HE3 LYS 683 1HE LYS 683 -18.099 11.251 -15.725 680 HZ1 LYS 683 3HZ LYS 683 -17.283 9.633 -17.332 681 HZ2 LYS 683 1HZ LYS 683 -17.675 8.846 -15.891 682 HZ3 LYS 683 2HZ LYS 683 -16.078 9.156 -16.273 683 H ARG 684 H ARG 684 -12.881 15.901 -14.492 684 HA ARG 684 HA ARG 684 -11.916 15.580 -12.577 685 HB2 ARG 684 2HB ARG 684 -14.592 16.432 -11.478 686 HB3 ARG 684 1HB ARG 684 -13.185 16.169 -10.457 687 HG2 ARG 684 2HG ARG 684 -13.323 18.159 -12.720 688 HG3 ARG 684 1HG ARG 684 -13.546 18.549 -11.010 689 HD2 ARG 684 2HD ARG 684 -11.311 17.827 -10.499 690 HD3 ARG 684 1HD ARG 684 -11.059 17.259 -12.141 691 HE ARG 684 HE ARG 684 -11.551 19.788 -12.600 692 HH12 ARG 684 1HH ARG 684 -8.429 19.653 -10.024 693 HH21 ARG 684 2HH ARG 684 -8.680 21.477 -11.499 694 H THR 685 H THR 685 -11.579 13.530 -13.135 695 HA THR 685 HA THR 685 -13.249 11.531 -11.909 696 HB THR 685 HB THR 685 -10.734 11.249 -13.567 697 HG1 THR 685 1HG THR 685 -13.271 10.570 -14.524 698 HG21 THR 685 2HG THR 685 -11.175 9.380 -12.136 699 HA PRO 686 HA PRO 686 -10.807 11.799 -8.153 700 HB2 PRO 686 2HB PRO 686 -11.707 9.476 -7.049 701 HB3 PRO 686 1HB PRO 686 -12.592 11.007 -7.065 702 HG2 PRO 686 2HG PRO 686 -12.857 8.673 -8.921 703 HG3 PRO 686 1HG PRO 686 -14.134 9.590 -8.098 704 HD2 PRO 686 2HD PRO 686 -13.540 10.052 -10.627 705 HD3 PRO 686 1HD PRO 686 -13.919 11.404 -9.532 706 H ARG 687 H ARG 687 -8.873 11.068 -7.415 707 HA ARG 687 HA ARG 687 -7.604 8.858 -8.831 708 HB2 ARG 687 2HB ARG 687 -6.508 10.814 -6.802 709 HB3 ARG 687 1HB ARG 687 -5.544 9.640 -7.657 710 HG2 ARG 687 2HG ARG 687 -6.112 10.831 -9.778 711 HG3 ARG 687 1HG ARG 687 -6.937 12.054 -8.805 712 HD2 ARG 687 2HD ARG 687 -4.810 12.408 -7.562 713 HD3 ARG 687 1HD ARG 687 -4.017 11.307 -8.682 714 HE ARG 687 HE ARG 687 -5.171 13.918 -9.355 715 HH12 ARG 687 1HH ARG 687 -2.085 12.197 -11.382 716 HH21 ARG 687 2HH ARG 687 -2.626 14.452 -11.753 717 H ALA 688 H ALA 688 -7.514 6.894 -7.849 718 HA ALA 688 HA ALA 688 -7.967 6.809 -4.945 719 HB1 ALA 688 1HB ALA 688 -9.097 4.909 -7.008 720 HB2 ALA 688 2HB ALA 688 -10.015 6.148 -6.152 721 HB3 ALA 688 3HB ALA 688 -9.312 4.793 -5.264 722 H THR 689 H THR 689 -7.230 4.745 -4.020 723 HA THR 689 HA THR 689 -4.929 3.651 -5.475 724 HB THR 689 HB THR 689 -5.170 4.208 -2.507 725 HG1 THR 689 1HG THR 689 -4.770 6.016 -3.841 726 HG21 THR 689 2HG THR 689 -2.864 3.048 -4.084 727 H LEU 690 H LEU 690 -4.843 1.479 -5.651 728 HA LEU 690 HA LEU 690 -6.629 -0.102 -3.971 729 HB2 LEU 690 2HB LEU 690 -7.314 0.196 -6.418 730 HB3 LEU 690 1HB LEU 690 -5.842 -0.634 -6.850 731 HG LEU 690 HG LEU 690 -7.773 -2.109 -7.038 732 HD13 LEU 690 1HD LEU 690 -5.699 -3.181 -6.424 733 HD21 LEU 690 2HD LEU 690 -9.222 -1.056 -5.437 734 H ILE 691 H ILE 691 -5.365 -1.219 -2.691 735 HA ILE 691 HA ILE 691 -2.675 -1.953 -3.610 736 HB ILE 691 HB ILE 691 -3.785 -2.026 -0.779 737 HG12 ILE 691 1HG ILE 691 -1.904 -0.022 -2.038 738 HG23 ILE 691 2HG ILE 691 -1.432 -2.293 -0.126 739 HD11 ILE 691 1HD ILE 691 -1.486 -0.276 0.343 740 H THR 692 H THR 692 -2.413 -3.976 -4.244 741 HA THR 692 HA THR 692 -4.430 -5.977 -3.548 742 HB THR 692 HB THR 692 -2.213 -6.084 -5.568 743 HG1 THR 692 1HG THR 692 -4.528 -5.854 -6.827 744 HG21 THR 692 2HG THR 692 -3.130 -8.271 -4.952 745 H PHE 693 H PHE 693 -3.867 -7.385 -1.980 746 HA PHE 693 HA PHE 693 -1.072 -7.565 -1.178 747 HB2 PHE 693 2HB PHE 693 -3.614 -8.481 0.165 748 HB3 PHE 693 1HB PHE 693 -2.004 -8.672 0.839 749 HD1 PHE 693 1HD PHE 693 -4.253 -5.990 -0.470 750 HD2 PHE 693 2HD PHE 693 -1.243 -7.059 2.339 751 HE1 PHE 693 1HE PHE 693 -4.465 -3.815 0.586 752 HE2 PHE 693 2HE PHE 693 -1.450 -4.868 3.391 753 HZ PHE 693 HZ PHE 693 -3.068 -3.242 2.516 754 H LEU 694 H LEU 694 0.064 -9.213 -1.758 755 HA LEU 694 HA LEU 694 -1.276 -11.701 -2.604 756 HB2 LEU 694 2HB LEU 694 1.446 -10.651 -3.382 757 HB3 LEU 694 1HB LEU 694 0.773 -12.183 -3.869 758 HG LEU 694 HG LEU 694 0.704 -10.815 -5.658 759 HD13 LEU 694 1HD LEU 694 -2.075 -10.847 -4.502 760 HD21 LEU 694 2HD LEU 694 -0.371 -8.575 -5.770 761 H CYS 695 H CYS 695 -0.362 -13.597 -1.849 762 HA CYS 695 HA CYS 695 1.073 -13.198 0.613 763 HB2 CYS 695 2HB CYS 695 -0.800 -14.772 0.585 764 HB3 CYS 695 1HB CYS 695 0.112 -15.789 -0.541 765 H ASP 696 H ASP 696 3.206 -13.140 0.501 766 HA ASP 696 HA ASP 696 4.531 -14.636 -1.633 767 HB2 ASP 696 2HB ASP 696 5.233 -12.239 -1.005 768 HB3 ASP 696 1HB ASP 696 5.886 -12.932 0.477 769 H ARG 697 H ARG 697 5.720 -16.433 -1.185 770 HA ARG 697 HA ARG 697 5.023 -17.816 1.185 771 HB2 ARG 697 2HB ARG 697 7.018 -18.562 -0.954 772 HB3 ARG 697 1HB ARG 697 6.468 -19.628 0.332 773 HG2 ARG 697 2HG ARG 697 4.724 -18.435 -1.828 774 HG3 ARG 697 1HG ARG 697 5.311 -20.097 -1.778 775 HD2 ARG 697 2HD ARG 697 4.075 -20.439 0.346 776 HD3 ARG 697 1HD ARG 697 3.472 -18.787 0.237 777 HE ARG 697 HE ARG 697 2.773 -20.003 -2.126 778 HH12 ARG 697 1HH ARG 697 0.515 -21.193 1.033 779 HH21 ARG 697 2HH ARG 697 -0.273 -21.477 -1.149 780 H ASP 698 H ASP 698 7.644 -15.719 0.439 781 HA ASP 698 HA ASP 698 8.664 -16.216 3.134 782 HB2 ASP 698 2HB ASP 698 10.214 -17.399 1.636 783 HB3 ASP 698 1HB ASP 698 10.399 -15.943 0.665 784 H ALA 699 H ALA 699 8.205 -14.358 4.113 785 HA ALA 699 HA ALA 699 9.317 -11.893 3.403 786 HB1 ALA 699 1HB ALA 699 7.250 -10.667 2.819 787 HB2 ALA 699 2HB ALA 699 6.360 -12.186 2.794 788 HB3 ALA 699 3HB ALA 699 7.632 -11.892 1.608 789 H GLY 700 H GLY 700 7.865 -10.144 4.696 790 HA2 GLY 700 2HA GLY 700 7.058 -11.435 7.196 791 HA3 GLY 700 1HA GLY 700 8.021 -9.957 7.152 792 H VAL 701 H VAL 701 7.011 -8.128 7.216 793 HA VAL 701 HA VAL 701 4.188 -8.013 7.471 794 HB VAL 701 HB VAL 701 5.782 -6.541 8.648 795 HG13 VAL 701 1HG VAL 701 7.363 -5.993 6.953 796 HG21 VAL 701 2HG VAL 701 3.450 -5.947 8.623 797 H GLY 702 H GLY 702 6.414 -7.216 4.939 798 HA2 GLY 702 2HA GLY 702 5.691 -7.636 2.666 799 HA3 GLY 702 1HA GLY 702 4.117 -7.034 3.135 800 H PHE 703 H PHE 703 6.397 -6.286 1.207 801 HA PHE 703 HA PHE 703 6.226 -3.411 1.720 802 HB2 PHE 703 2HB PHE 703 8.187 -4.906 -0.049 803 HB3 PHE 703 1HB PHE 703 8.157 -3.169 0.198 804 HD1 PHE 703 2HD PHE 703 8.462 -2.356 2.644 805 HD2 PHE 703 1HD PHE 703 9.515 -6.243 1.276 806 HE1 PHE 703 2HE PHE 703 9.978 -2.622 4.569 807 HE2 PHE 703 1HE PHE 703 11.024 -6.517 3.188 808 HZ PHE 703 HZ PHE 703 11.260 -4.704 4.842 809 HA PRO 704 HA PRO 704 3.578 -3.417 -1.911 810 HB2 PRO 704 2HB PRO 704 3.069 -0.807 -1.997 811 HB3 PRO 704 1HB PRO 704 2.405 -1.824 -0.711 812 HG2 PRO 704 2HG PRO 704 4.781 -0.000 -0.639 813 HG3 PRO 704 1HG PRO 704 3.499 -0.207 0.568 814 HD2 PRO 704 2HD PRO 704 5.952 -1.406 0.776 815 HD3 PRO 704 1HD PRO 704 4.466 -2.072 1.462 816 H GLU 705 H GLU 705 3.801 -3.005 -4.085 817 HA GLU 705 HA GLU 705 6.087 -1.344 -4.921 818 HB2 GLU 705 2HB GLU 705 6.308 -3.889 -5.332 819 HB3 GLU 705 1HB GLU 705 4.942 -3.694 -6.379 820 HG2 GLU 705 2HG GLU 705 6.991 -3.664 -7.675 821 HG3 GLU 705 1HG GLU 705 6.100 -2.153 -7.809 822 H TYR 706 H TYR 706 5.539 0.243 -6.326 823 HA TYR 706 HA TYR 706 2.761 0.470 -7.090 824 HB2 TYR 706 2HB TYR 706 3.859 2.562 -6.510 825 HB3 TYR 706 1HB TYR 706 5.105 2.297 -7.724 826 HD1 TYR 706 2HD TYR 706 1.346 2.497 -7.538 827 HD2 TYR 706 1HD TYR 706 4.878 3.411 -9.748 828 HE1 TYR 706 2HE TYR 706 0.005 3.642 -9.179 829 HE2 TYR 706 1HE TYR 706 3.528 4.589 -11.408 830 HH TYR 706 HH TYR 706 0.349 5.487 -10.906 831 H GLN 707 H GLN 707 1.928 -0.277 -8.835 832 HA GLN 707 HA GLN 707 3.761 -1.180 -10.934 833 HB2 GLN 707 2HB GLN 707 0.886 -1.850 -10.447 834 HB3 GLN 707 1HB GLN 707 1.895 -2.623 -11.633 835 HG2 GLN 707 2HG GLN 707 2.126 -2.819 -8.629 836 HG3 GLN 707 1HG GLN 707 1.531 -4.057 -9.712 837 HE21 GLN 707 2HE GLN 707 5.589 -3.518 -9.938 838 H GLU 708 H GLU 708 0.376 -0.189 -11.222 839 HA GLU 708 HA GLU 708 1.229 2.183 -12.548 840 HB2 GLU 708 2HB GLU 708 0.264 1.720 -14.709 841 HB3 GLU 708 1HB GLU 708 1.514 0.542 -14.358 842 HG2 GLU 708 2HG GLU 708 -1.456 0.032 -14.099 843 HG3 GLU 708 1HG GLU 708 -0.499 -0.380 -15.508 844 H GLU 709 H GLU 709 -0.247 3.683 -12.442 845 HA GLU 709 HA GLU 709 -2.944 3.050 -11.606 846 HB2 GLU 709 2HB GLU 709 -1.764 5.132 -10.875 847 HB3 GLU 709 1HB GLU 709 -1.745 5.688 -12.538 848 HG2 GLU 709 2HG GLU 709 -4.242 5.207 -10.889 849 HG3 GLU 709 1HG GLU 709 -3.479 6.772 -11.112 850 H ASP 710 H ASP 710 -4.499 2.728 -12.948 851 HA ASP 710 HA ASP 710 -4.430 3.529 -15.732 852 HB2 ASP 710 2HB ASP 710 -2.992 1.520 -15.776 853 HB3 ASP 710 1HB ASP 710 -4.291 0.588 -15.035 854 H ASN 711 H ASN 711 -5.778 1.593 -13.225 855 HA ASN 711 HA ASN 711 -8.363 1.208 -14.480 856 HB2 ASN 711 2HB ASN 711 -7.467 0.506 -11.680 857 HB3 ASN 711 1HB ASN 711 -8.848 -0.153 -12.546 858 HD21 ASN 711 2HD ASN 711 -5.154 -1.698 -12.987 859 H SER 712 H SER 712 -7.473 4.030 -13.690 860 HA SER 712 HA SER 712 -8.114 5.857 -12.788 861 HB2 SER 712 2HB SER 712 -10.456 6.251 -11.923 862 HB3 SER 712 1HB SER 712 -10.454 5.472 -13.495 863 HG SER 712 HG SER 712 -10.495 3.509 -11.922 864 H THR 713 H THR 713 -7.210 3.403 -11.263 865 HA THR 713 HA THR 713 -6.870 4.769 -8.759 866 HB THR 713 HB THR 713 -8.774 3.253 -8.407 867 HG1 THR 713 1HG THR 713 -8.059 2.558 -6.596 868 HG21 THR 713 2HG THR 713 -8.524 0.837 -8.586 869 H TYR 714 H TYR 714 -4.986 4.126 -7.731 870 HA TYR 714 HA TYR 714 -2.867 3.212 -9.513 871 HB2 TYR 714 2HB TYR 714 -2.778 4.231 -6.657 872 HB3 TYR 714 1HB TYR 714 -1.369 3.878 -7.634 873 HD1 TYR 714 1HD TYR 714 -4.412 6.005 -7.595 874 HD2 TYR 714 2HD TYR 714 -0.366 5.656 -8.826 875 HE1 TYR 714 1HE TYR 714 -4.458 8.307 -8.353 876 HE2 TYR 714 2HE TYR 714 -0.400 8.001 -9.588 877 HH TYR 714 HH TYR 714 -2.862 10.039 -8.631 878 H ASN 715 H ASN 715 -2.252 1.100 -9.499 879 HA ASN 715 HA ASN 715 -3.021 -0.485 -7.173 880 HB2 ASN 715 2HB ASN 715 -2.365 -1.055 -9.929 881 HB3 ASN 715 1HB ASN 715 -2.066 -2.391 -8.826 882 HD21 ASN 715 2HD ASN 715 -5.575 -3.014 -8.360 883 H PHE 716 H PHE 716 -1.784 -1.094 -5.779 884 HA PHE 716 HA PHE 716 1.123 -1.191 -6.204 885 HB2 PHE 716 2HB PHE 716 -0.451 -0.658 -3.667 886 HB3 PHE 716 1HB PHE 716 1.286 -0.903 -3.726 887 HD1 PHE 716 1HD PHE 716 -1.451 1.347 -4.792 888 HD2 PHE 716 2HD PHE 716 2.734 0.867 -4.225 889 HE1 PHE 716 1HE PHE 716 -1.129 3.768 -5.112 890 HE2 PHE 716 2HE PHE 716 3.058 3.276 -4.547 891 HZ PHE 716 HZ PHE 716 1.125 4.728 -4.991 892 H ARG 717 H ARG 717 2.078 -3.105 -5.672 893 HA ARG 717 HA ARG 717 0.230 -5.210 -4.780 894 HB2 ARG 717 2HB ARG 717 2.944 -5.570 -6.016 895 HB3 ARG 717 1HB ARG 717 1.816 -6.847 -5.582 896 HG2 ARG 717 2HG ARG 717 0.212 -5.663 -7.119 897 HG3 ARG 717 1HG ARG 717 1.694 -4.797 -7.616 898 HD2 ARG 717 2HD ARG 717 2.763 -6.863 -8.282 899 HD3 ARG 717 1HD ARG 717 1.379 -7.808 -7.717 900 HE ARG 717 HE ARG 717 1.171 -5.838 -9.839 901 HH12 ARG 717 1HH ARG 717 -0.195 -9.656 -10.094 902 HH21 ARG 717 2HH ARG 717 -0.788 -8.124 -11.742 903 H TRP 718 H TRP 718 0.340 -5.818 -2.883 904 HA TRP 718 HA TRP 718 2.723 -5.161 -1.306 905 HB2 TRP 718 2HB TRP 718 0.366 -4.348 -0.691 906 HB3 TRP 718 1HB TRP 718 0.007 -6.026 -0.315 907 HD1 TRP 718 HD TRP 718 1.884 -7.088 1.543 908 HE1 TRP 718 1HE TRP 718 2.682 -5.922 3.742 909 HE3 TRP 718 3HE TRP 718 0.666 -2.301 0.396 910 HZ2 TRP 718 2HZ TRP 718 2.769 -3.337 4.777 911 HZ3 TRP 718 3HZ TRP 718 1.114 -0.537 2.043 912 HH2 TRP 718 HH TRP 718 2.148 -1.049 4.177 913 H TYR 719 H TYR 719 4.038 -6.873 -1.189 914 HA TYR 719 HA TYR 719 2.837 -9.514 -1.336 915 HB2 TYR 719 2HB TYR 719 5.683 -8.588 -1.752 916 HB3 TYR 719 1HB TYR 719 5.292 -10.293 -1.581 917 HD1 TYR 719 1HD TYR 719 4.592 -7.281 -3.707 918 HD2 TYR 719 2HD TYR 719 4.482 -11.531 -3.407 919 HE1 TYR 719 1HE TYR 719 4.032 -7.458 -6.143 920 HE2 TYR 719 2HE TYR 719 3.939 -11.688 -5.804 921 HH TYR 719 HH TYR 719 2.979 -10.344 -7.544 922 H THR 720 H THR 720 2.111 -10.046 0.596 923 HA THR 720 HA THR 720 3.868 -9.736 2.921 924 HB THR 720 HB THR 720 2.016 -8.106 3.114 925 HG1 THR 720 1HG THR 720 2.331 -8.592 5.069 926 HG21 THR 720 2HG THR 720 0.320 -9.322 1.757 927 H SER 721 H SER 721 3.954 -11.362 4.363 928 HA SER 721 HA SER 721 3.228 -13.962 3.546 929 HB2 SER 721 2HB SER 721 5.171 -13.501 4.979 930 HB3 SER 721 1HB SER 721 4.118 -12.868 6.236 931 HG SER 721 HG SER 721 4.144 -15.508 5.225 932 H TYR 722 H TYR 722 1.582 -11.410 5.325 933 HA TYR 722 HA TYR 722 -0.245 -12.999 6.768 934 HB2 TYR 722 2HB TYR 722 -0.331 -10.064 6.014 935 HB3 TYR 722 1HB TYR 722 -1.470 -10.860 7.054 936 HD1 TYR 722 2HD TYR 722 2.151 -10.034 6.782 937 HD2 TYR 722 1HD TYR 722 -1.052 -11.165 9.346 938 HE1 TYR 722 2HE TYR 722 3.579 -9.618 8.746 939 HE2 TYR 722 1HE TYR 722 0.368 -10.755 11.308 940 HH TYR 722 HH TYR 722 3.360 -9.116 11.076 941 H ALA 723 H ALA 723 -0.093 -12.370 3.467 942 HA ALA 723 HA ALA 723 -2.967 -12.253 3.104 943 HB1 ALA 723 1HB ALA 723 -2.518 -12.020 0.731 944 HB2 ALA 723 2HB ALA 723 -0.810 -12.362 1.005 945 HB3 ALA 723 3HB ALA 723 -1.535 -10.895 1.664 946 H CYS 724 H CYS 724 -1.316 -14.629 4.035 947 HA CYS 724 HA CYS 724 -2.471 -16.465 2.158 948 HB2 CYS 724 2HB CYS 724 -0.263 -16.894 4.110 949 HB3 CYS 724 1HB CYS 724 -1.237 -18.293 3.704 950 HA PRO 725 HA PRO 725 -5.556 -17.408 5.421 951 HB2 PRO 725 2HB PRO 725 -6.936 -19.288 4.015 952 HB3 PRO 725 1HB PRO 725 -7.171 -17.561 3.756 953 HG2 PRO 725 2HG PRO 725 -5.662 -19.532 2.121 954 HG3 PRO 725 1HG PRO 725 -6.570 -18.103 1.612 955 HD2 PRO 725 2HD PRO 725 -3.813 -18.235 1.823 956 HD3 PRO 725 1HD PRO 725 -4.763 -16.737 1.845 Start of MODEL 3 1 H1 GLU 578 1HT GLU 578 -16.828 9.628 -2.586 2 H2 GLU 578 2HT GLU 578 -17.669 10.659 -3.625 3 H3 GLU 578 3HT GLU 578 -16.064 10.255 -3.951 4 HA GLU 578 HA GLU 578 -18.312 8.362 -3.902 5 HB2 GLU 578 2HB GLU 578 -18.025 8.219 -6.336 6 HB3 GLU 578 1HB GLU 578 -18.424 9.861 -5.861 7 HG2 GLU 578 2HG GLU 578 -16.092 10.515 -6.105 8 HG3 GLU 578 1HG GLU 578 -15.662 8.857 -6.513 9 H ALA 579 H ALA 579 -17.766 6.281 -4.685 10 HA ALA 579 HA ALA 579 -15.362 5.252 -5.385 11 HB1 ALA 579 1HB ALA 579 -14.539 4.127 -3.336 12 HB2 ALA 579 2HB ALA 579 -15.769 4.963 -2.386 13 HB3 ALA 579 3HB ALA 579 -14.472 5.882 -3.148 14 H GLU 580 H GLU 580 -16.995 4.301 -6.628 15 HA GLU 580 HA GLU 580 -18.738 2.485 -5.192 16 HB2 GLU 580 2HB GLU 580 -18.964 3.511 -8.028 17 HB3 GLU 580 1HB GLU 580 -20.005 2.281 -7.345 18 HG2 GLU 580 2HG GLU 580 -21.194 4.347 -7.321 19 HG3 GLU 580 1HG GLU 580 -20.764 3.968 -5.662 20 H ALA 581 H ALA 581 -17.372 0.870 -4.811 21 HA ALA 581 HA ALA 581 -16.567 -0.663 -7.182 22 HB1 ALA 581 1HB ALA 581 -15.004 -1.871 -5.683 23 HB2 ALA 581 2HB ALA 581 -15.517 -0.849 -4.339 24 HB3 ALA 581 3HB ALA 581 -14.661 -0.140 -5.708 25 H GLU 582 H GLU 582 -18.493 -1.692 -7.573 26 HA GLU 582 HA GLU 582 -19.638 -3.061 -5.263 27 HB2 GLU 582 2HB GLU 582 -20.866 -1.136 -6.605 28 HB3 GLU 582 1HB GLU 582 -21.222 -2.447 -7.719 29 HG2 GLU 582 2HG GLU 582 -21.978 -2.302 -4.814 30 HG3 GLU 582 1HG GLU 582 -23.060 -2.089 -6.184 31 H PHE 583 H PHE 583 -19.022 -5.142 -5.389 32 HA PHE 583 HA PHE 583 -19.349 -6.559 -7.913 33 HB2 PHE 583 2HB PHE 583 -16.876 -6.648 -6.185 34 HB3 PHE 583 1HB PHE 583 -17.182 -7.759 -7.505 35 HD1 PHE 583 1HD PHE 583 -17.219 -6.855 -9.846 36 HD2 PHE 583 2HD PHE 583 -15.969 -4.510 -6.524 37 HE1 PHE 583 1HE PHE 583 -16.112 -5.285 -11.378 38 HE2 PHE 583 2HE PHE 583 -14.857 -2.932 -8.052 39 HZ PHE 583 HZ PHE 583 -14.931 -3.323 -10.486 40 H LEU 584 H LEU 584 -19.926 -8.728 -7.631 41 HA LEU 584 HA LEU 584 -21.087 -9.313 -5.074 42 HB2 LEU 584 2HB LEU 584 -21.987 -11.348 -5.997 43 HB3 LEU 584 1HB LEU 584 -22.229 -10.061 -7.147 44 HG LEU 584 HG LEU 584 -20.109 -12.220 -7.381 45 HD13 LEU 584 1HD LEU 584 -22.337 -13.146 -7.570 46 HD21 LEU 584 2HD LEU 584 -19.494 -10.165 -8.563 47 H SER 585 H SER 585 -18.175 -10.199 -6.699 48 HA SER 585 HA SER 585 -17.551 -12.251 -4.762 49 HB2 SER 585 2HB SER 585 -15.944 -11.130 -7.065 50 HB3 SER 585 1HB SER 585 -15.578 -12.590 -6.145 51 HG SER 585 HG SER 585 -17.255 -13.610 -7.018 52 H ARG 586 H ARG 586 -17.771 -9.226 -4.243 53 HA ARG 586 HA ARG 586 -15.115 -8.790 -3.068 54 HB2 ARG 586 2HB ARG 586 -15.622 -7.089 -4.741 55 HB3 ARG 586 1HB ARG 586 -17.162 -6.732 -3.951 56 HG2 ARG 586 2HG ARG 586 -15.817 -6.094 -1.914 57 HG3 ARG 586 1HG ARG 586 -14.380 -6.231 -2.915 58 HD2 ARG 586 2HD ARG 586 -15.233 -4.487 -4.398 59 HD3 ARG 586 1HD ARG 586 -16.709 -4.374 -3.433 60 HE ARG 586 HE ARG 586 -14.010 -3.727 -2.457 61 HH12 ARG 586 1HH ARG 586 -17.404 -1.846 -1.284 62 HH21 ARG 586 2HH ARG 586 -15.361 -1.304 -0.286 63 H THR 587 H THR 587 -15.062 -8.630 -0.960 64 HA THR 587 HA THR 587 -17.547 -8.235 0.546 65 HB THR 587 HB THR 587 -14.972 -9.578 1.369 66 HG1 THR 587 1HG THR 587 -15.733 -11.379 0.773 67 HG21 THR 587 2HG THR 587 -16.339 -10.515 3.138 68 H GLU 588 H GLU 588 -17.538 -6.365 1.746 69 HA GLU 588 HA GLU 588 -14.946 -5.024 1.976 70 HB2 GLU 588 2HB GLU 588 -16.707 -3.731 0.803 71 HB3 GLU 588 1HB GLU 588 -17.705 -3.827 2.249 72 HG2 GLU 588 2HG GLU 588 -16.065 -2.544 3.496 73 HG3 GLU 588 1HG GLU 588 -15.020 -2.477 2.079 74 H GLY 589 H GLY 589 -14.022 -4.929 3.849 75 HA2 GLY 589 2HA GLY 589 -15.382 -6.097 6.121 76 HA3 GLY 589 1HA GLY 589 -13.662 -5.762 5.965 77 H ASP 590 H ASP 590 -13.674 -4.852 8.019 78 HA ASP 590 HA ASP 590 -15.089 -2.285 8.248 79 HB2 ASP 590 2HB ASP 590 -14.467 -4.308 10.414 80 HB3 ASP 590 1HB ASP 590 -15.140 -2.709 10.699 81 H ASN 591 H ASN 591 -13.831 -1.544 10.673 82 HA ASN 591 HA ASN 591 -11.698 -0.047 9.799 83 HB2 ASN 591 2HB ASN 591 -12.902 0.491 11.854 84 HB3 ASN 591 1HB ASN 591 -12.280 -0.962 12.620 85 HD21 ASN 591 2HD ASN 591 -9.882 1.120 14.061 86 H CYS 592 H CYS 592 -10.140 -1.126 8.691 87 HA CYS 592 HA CYS 592 -8.076 -1.863 8.413 88 HB2 CYS 592 2HB CYS 592 -7.892 -0.504 10.622 89 HB3 CYS 592 1HB CYS 592 -7.709 -2.079 11.375 90 H THR 593 H THR 593 -10.466 -3.747 9.252 91 HA THR 593 HA THR 593 -8.840 -6.168 9.243 92 HB THR 593 HB THR 593 -10.555 -7.145 10.850 93 HG1 THR 593 1HG THR 593 -11.004 -4.406 11.455 94 HG21 THR 593 2HG THR 593 -8.282 -6.626 11.606 95 H VAL 594 H VAL 594 -9.827 -7.829 8.059 96 HA VAL 594 HA VAL 594 -12.487 -7.221 7.101 97 HB VAL 594 HB VAL 594 -10.997 -6.566 5.309 98 HG13 VAL 594 1HG VAL 594 -9.951 -9.383 5.323 99 HG21 VAL 594 2HG VAL 594 -13.164 -7.506 4.712 100 H PHE 595 H PHE 595 -13.839 -8.744 7.662 101 HA PHE 595 HA PHE 595 -12.789 -11.445 7.475 102 HB2 PHE 595 2HB PHE 595 -13.710 -11.163 9.702 103 HB3 PHE 595 1HB PHE 595 -15.217 -10.513 9.045 104 HD1 PHE 595 2HD PHE 595 -13.183 -13.525 8.170 105 HD2 PHE 595 1HD PHE 595 -16.944 -12.029 9.490 106 HE1 PHE 595 2HE PHE 595 -14.100 -15.767 8.014 107 HE2 PHE 595 1HE PHE 595 -17.883 -14.299 9.351 108 HZ PHE 595 HZ PHE 595 -16.464 -16.178 8.620 109 H ASP 596 H ASP 596 -13.338 -12.658 5.951 110 HA ASP 596 HA ASP 596 -15.513 -11.777 4.203 111 HB2 ASP 596 2HB ASP 596 -13.182 -11.909 3.281 112 HB3 ASP 596 1HB ASP 596 -13.212 -13.619 3.649 113 H SER 597 H SER 597 -17.296 -12.845 4.353 114 HA SER 597 HA SER 597 -17.516 -15.190 5.868 115 HB2 SER 597 2HB SER 597 -19.908 -15.055 5.073 116 HB3 SER 597 1HB SER 597 -19.287 -13.653 5.944 117 HG SER 597 HG SER 597 -19.937 -13.936 3.245 118 H GLN 598 H GLN 598 -17.169 -14.648 2.362 119 HA GLN 598 HA GLN 598 -18.150 -17.276 1.760 120 HB2 GLN 598 2HB GLN 598 -17.354 -16.753 -0.507 121 HB3 GLN 598 1HB GLN 598 -18.598 -15.603 0.040 122 HG2 GLN 598 2HG GLN 598 -16.793 -14.031 0.511 123 HG3 GLN 598 1HG GLN 598 -15.615 -15.224 0.023 124 HE21 GLN 598 2HE GLN 598 -16.234 -12.662 -2.565 125 H ALA 599 H ALA 599 -15.101 -15.654 2.182 126 HA ALA 599 HA ALA 599 -13.581 -17.892 1.249 127 HB1 ALA 599 1HB ALA 599 -11.647 -16.512 1.841 128 HB2 ALA 599 2HB ALA 599 -12.720 -15.460 2.780 129 HB3 ALA 599 3HB ALA 599 -12.900 -15.521 1.038 130 H GLY 600 H GLY 600 -14.865 -16.673 4.197 131 HA2 GLY 600 2HA GLY 600 -15.180 -17.745 6.219 132 HA3 GLY 600 1HA GLY 600 -14.364 -19.150 5.554 133 H PHE 601 H PHE 601 -12.651 -16.195 5.372 134 HA PHE 601 HA PHE 601 -11.192 -16.842 7.812 135 HB2 PHE 601 2HB PHE 601 -9.949 -16.324 5.112 136 HB3 PHE 601 1HB PHE 601 -9.047 -16.203 6.616 137 HD1 PHE 601 2HD PHE 601 -8.616 -18.221 7.950 138 HD2 PHE 601 1HD PHE 601 -10.497 -18.435 4.143 139 HE1 PHE 601 2HE PHE 601 -8.127 -20.629 7.851 140 HE2 PHE 601 1HE PHE 601 -10.009 -20.840 4.035 141 HZ PHE 601 HZ PHE 601 -8.823 -21.943 5.894 142 H SER 602 H SER 602 -10.302 -15.185 8.900 143 HA SER 602 HA SER 602 -11.193 -12.527 8.078 144 HB2 SER 602 2HB SER 602 -12.196 -13.365 10.164 145 HB3 SER 602 1HB SER 602 -10.593 -13.655 10.826 146 HG SER 602 HG SER 602 -11.671 -11.110 10.095 147 H PHE 603 H PHE 603 -9.690 -11.020 7.759 148 HA PHE 603 HA PHE 603 -6.953 -11.709 8.454 149 HB2 PHE 603 2HB PHE 603 -7.977 -10.397 5.931 150 HB3 PHE 603 1HB PHE 603 -6.279 -10.410 6.394 151 HD1 PHE 603 2HD PHE 603 -9.119 -12.552 5.256 152 HD2 PHE 603 1HD PHE 603 -4.963 -12.375 6.202 153 HE1 PHE 603 2HE PHE 603 -8.772 -14.737 4.211 154 HE2 PHE 603 1HE PHE 603 -4.634 -14.565 5.152 155 HZ PHE 603 HZ PHE 603 -6.543 -15.747 4.153 156 H ASP 604 H ASP 604 -6.038 -10.423 9.732 157 HA ASP 604 HA ASP 604 -7.062 -7.698 10.198 158 HB2 ASP 604 2HB ASP 604 -7.093 -9.184 12.143 159 HB3 ASP 604 1HB ASP 604 -5.395 -9.556 11.907 160 H LEU 605 H LEU 605 -5.818 -6.186 9.216 161 HA LEU 605 HA LEU 605 -3.031 -6.897 8.771 162 HB2 LEU 605 2HB LEU 605 -4.735 -4.962 7.223 163 HB3 LEU 605 1HB LEU 605 -3.045 -5.302 6.902 164 HG LEU 605 HG LEU 605 -5.375 -7.200 6.581 165 HD13 LEU 605 1HD LEU 605 -4.681 -7.259 4.267 166 HD21 LEU 605 2HD LEU 605 -3.746 -8.844 5.766 167 H THR 606 H THR 606 -4.158 -5.671 11.169 168 HA THR 606 HA THR 606 -3.475 -2.943 11.190 169 HB THR 606 HB THR 606 -3.628 -3.009 13.664 170 HG1 THR 606 1HG THR 606 -4.199 -5.794 13.342 171 HG21 THR 606 2HG THR 606 -5.860 -4.457 12.238 172 HA PRO 607 HA PRO 607 0.866 -4.463 13.153 173 HB2 PRO 607 2HB PRO 607 1.157 -6.785 11.302 174 HB3 PRO 607 1HB PRO 607 1.741 -6.589 12.961 175 HG2 PRO 607 2HG PRO 607 -0.346 -8.134 12.471 176 HG3 PRO 607 1HG PRO 607 -0.335 -7.062 13.885 177 HD2 PRO 607 2HD PRO 607 -1.750 -6.717 11.268 178 HD3 PRO 607 1HD PRO 607 -2.307 -6.362 12.913 179 H LEU 608 H LEU 608 -0.465 -4.532 9.983 180 HA LEU 608 HA LEU 608 1.985 -3.918 8.615 181 HB2 LEU 608 2HB LEU 608 -0.859 -4.182 7.781 182 HB3 LEU 608 1HB LEU 608 0.369 -3.591 6.642 183 HG LEU 608 HG LEU 608 1.516 -5.829 7.018 184 HD13 LEU 608 1HD LEU 608 0.156 -7.659 7.859 185 HD21 LEU 608 2HD LEU 608 0.012 -7.028 5.515 186 H THR 609 H THR 609 -0.447 -2.166 10.220 187 HA THR 609 HA THR 609 -0.219 0.280 8.744 188 HB THR 609 HB THR 609 -1.207 -0.243 11.557 189 HG1 THR 609 1HG THR 609 -2.948 0.033 9.368 190 HG21 THR 609 2HG THR 609 -2.542 1.795 11.204 191 H LYS 610 H LYS 610 1.223 1.800 8.908 192 HA LYS 610 HA LYS 610 3.002 1.783 11.238 193 HB2 LYS 610 2HB LYS 610 3.765 2.123 8.343 194 HB3 LYS 610 1HB LYS 610 4.802 2.551 9.683 195 HG2 LYS 610 2HG LYS 610 4.847 0.211 10.387 196 HG3 LYS 610 1HG LYS 610 3.780 -0.215 9.047 197 HD2 LYS 610 2HD LYS 610 5.458 0.517 7.448 198 HD3 LYS 610 1HD LYS 610 6.513 1.050 8.754 199 HE2 LYS 610 2HE LYS 610 5.621 -1.801 8.293 200 HE3 LYS 610 1HE LYS 610 7.171 -1.139 7.781 201 HZ1 LYS 610 3HZ LYS 610 6.220 -1.398 10.596 202 HZ2 LYS 610 1HZ LYS 610 7.677 -0.691 10.105 203 HZ3 LYS 610 2HZ LYS 610 7.408 -2.327 9.843 204 H LYS 611 H LYS 611 3.487 3.737 12.024 205 HA LYS 611 HA LYS 611 2.002 6.080 11.364 206 HB2 LYS 611 2HB LYS 611 3.096 5.357 13.575 207 HB3 LYS 611 1HB LYS 611 4.578 5.836 12.849 208 HG2 LYS 611 2HG LYS 611 3.851 8.126 12.562 209 HG3 LYS 611 1HG LYS 611 2.290 7.729 13.285 210 HD2 LYS 611 2HD LYS 611 3.375 7.120 15.358 211 HD3 LYS 611 1HD LYS 611 4.959 7.444 14.650 212 HE2 LYS 611 2HE LYS 611 4.292 9.784 14.326 213 HE3 LYS 611 1HE LYS 611 2.741 9.432 15.089 214 HZ1 LYS 611 3HZ LYS 611 4.273 10.413 16.666 215 HZ2 LYS 611 1HZ LYS 611 5.406 9.202 16.368 216 HZ3 LYS 611 2HZ LYS 611 3.939 8.825 17.108 217 H ASP 612 H ASP 612 5.090 4.775 10.811 218 HA ASP 612 HA ASP 612 6.359 6.976 9.501 219 HB2 ASP 612 2HB ASP 612 6.937 4.043 9.552 220 HB3 ASP 612 1HB ASP 612 8.049 5.227 8.831 221 H ALA 613 H ALA 613 4.137 4.592 8.587 222 HA ALA 613 HA ALA 613 3.085 3.954 6.708 223 HB1 ALA 613 1HB ALA 613 2.731 6.367 6.434 224 HB2 ALA 613 2HB ALA 613 2.870 5.537 4.882 225 HB3 ALA 613 3HB ALA 613 4.227 6.476 5.506 226 H TYR 614 H TYR 614 3.486 3.683 4.172 227 HA TYR 614 HA TYR 614 6.166 2.521 3.883 228 HB2 TYR 614 2HB TYR 614 3.532 1.768 2.599 229 HB3 TYR 614 1HB TYR 614 5.086 1.099 2.127 230 HD1 TYR 614 2HD TYR 614 3.016 1.555 5.219 231 HD2 TYR 614 1HD TYR 614 5.681 -0.961 3.038 232 HE1 TYR 614 2HE TYR 614 2.738 -0.156 6.861 233 HE2 TYR 614 1HE TYR 614 5.405 -2.705 4.699 234 HH TYR 614 HH TYR 614 2.945 -2.481 7.074 235 H LYS 615 H LYS 615 7.420 3.545 2.472 236 HA LYS 615 HA LYS 615 6.094 5.154 0.436 237 HB2 LYS 615 2HB LYS 615 7.702 6.444 1.725 238 HB3 LYS 615 1HB LYS 615 9.005 5.364 1.394 239 HG2 LYS 615 2HG LYS 615 8.408 5.849 -1.061 240 HG3 LYS 615 1HG LYS 615 7.573 7.260 -0.423 241 HD2 LYS 615 2HD LYS 615 10.470 6.467 -0.041 242 HD3 LYS 615 1HD LYS 615 9.950 7.812 -1.070 243 HE2 LYS 615 2HE LYS 615 9.151 8.906 1.048 244 HE3 LYS 615 1HE LYS 615 9.868 7.565 1.946 245 HZ1 LYS 615 3HZ LYS 615 11.372 9.455 1.871 246 HZ2 LYS 615 1HZ LYS 615 11.319 9.467 0.187 247 HZ3 LYS 615 2HZ LYS 615 12.030 8.182 0.978 248 H VAL 616 H VAL 616 6.018 4.416 -1.425 249 HA VAL 616 HA VAL 616 7.760 2.248 -2.372 250 HB VAL 616 HB VAL 616 5.293 3.468 -3.598 251 HG13 VAL 616 1HG VAL 616 6.697 2.297 -5.215 252 HG21 VAL 616 2HG VAL 616 4.037 1.482 -2.807 253 H GLU 617 H GLU 617 9.032 2.724 -4.227 254 HA GLU 617 HA GLU 617 9.020 5.568 -4.930 255 HB2 GLU 617 2HB GLU 617 11.410 3.835 -4.417 256 HB3 GLU 617 1HB GLU 617 11.478 5.440 -5.127 257 HG2 GLU 617 2HG GLU 617 10.572 6.402 -3.119 258 HG3 GLU 617 1HG GLU 617 10.377 4.799 -2.407 259 H THR 618 H THR 618 9.578 6.133 -6.963 260 HA THR 618 HA THR 618 10.052 3.962 -8.826 261 HB THR 618 HB THR 618 8.755 5.250 -10.512 262 HG1 THR 618 1HG THR 618 8.204 6.940 -8.320 263 HG21 THR 618 2HG THR 618 6.495 4.963 -9.625 264 H ASP 619 H ASP 619 10.692 5.644 -10.942 265 HA ASP 619 HA ASP 619 13.252 6.425 -10.148 266 HB2 ASP 619 2HB ASP 619 11.762 6.994 -12.706 267 HB3 ASP 619 1HB ASP 619 13.440 7.453 -12.453 268 H LYS 620 H LYS 620 10.356 8.435 -10.749 269 HA LYS 620 HA LYS 620 11.882 10.602 -9.420 270 HB2 LYS 620 2HB LYS 620 9.811 11.154 -11.562 271 HB3 LYS 620 1HB LYS 620 10.817 12.311 -10.751 272 HG2 LYS 620 2HG LYS 620 11.762 12.138 -12.877 273 HG3 LYS 620 1HG LYS 620 12.806 11.133 -11.876 274 HD2 LYS 620 2HD LYS 620 12.349 9.989 -13.971 275 HD3 LYS 620 1HD LYS 620 11.549 9.135 -12.649 276 HE2 LYS 620 2HE LYS 620 9.415 10.272 -13.239 277 HE3 LYS 620 1HE LYS 620 10.237 11.073 -14.571 278 HZ1 LYS 620 3HZ LYS 620 9.844 8.152 -14.264 279 HZ2 LYS 620 1HZ LYS 620 10.642 8.872 -15.550 280 HZ3 LYS 620 2HZ LYS 620 9.000 9.149 -15.302 281 H TYR 621 H TYR 621 9.225 8.673 -9.082 282 HA TYR 621 HA TYR 621 7.981 10.735 -7.422 283 HB2 TYR 621 2HB TYR 621 6.594 8.706 -9.195 284 HB3 TYR 621 1HB TYR 621 5.758 9.679 -7.986 285 HD1 TYR 621 1HD TYR 621 7.916 10.016 -11.025 286 HD2 TYR 621 2HD TYR 621 4.954 11.792 -8.569 287 HE1 TYR 621 1HE TYR 621 7.710 11.878 -12.641 288 HE2 TYR 621 2HE TYR 621 4.730 13.648 -10.194 289 HH TYR 621 HH TYR 621 6.226 14.732 -11.895 290 H GLU 622 H GLU 622 6.966 10.008 -5.521 291 HA GLU 622 HA GLU 622 7.590 7.263 -4.787 292 HB2 GLU 622 2HB GLU 622 8.247 7.997 -2.563 293 HB3 GLU 622 1HB GLU 622 9.262 8.789 -3.762 294 HG2 GLU 622 2HG GLU 622 7.747 10.766 -3.594 295 HG3 GLU 622 1HG GLU 622 6.926 9.930 -2.320 296 H PHE 623 H PHE 623 6.062 6.332 -3.575 297 HA PHE 623 HA PHE 623 3.628 7.904 -3.268 298 HB2 PHE 623 2HB PHE 623 3.870 4.925 -3.826 299 HB3 PHE 623 1HB PHE 623 2.367 5.796 -3.609 300 HD1 PHE 623 1HD PHE 623 5.373 5.608 -5.825 301 HD2 PHE 623 2HD PHE 623 1.253 6.696 -5.506 302 HE1 PHE 623 1HE PHE 623 5.274 5.996 -8.235 303 HE2 PHE 623 2HE PHE 623 1.179 7.087 -7.906 304 HZ PHE 623 HZ PHE 623 3.188 6.733 -9.282 305 H HIS 624 H HIS 624 3.025 8.078 -1.144 306 HA HIS 624 HA HIS 624 4.014 6.089 0.788 307 HB2 HIS 624 2HB HIS 624 2.901 8.864 1.226 308 HB3 HIS 624 1HB HIS 624 3.321 7.738 2.505 309 HD1 HIS 624 1HD HIS 624 5.793 7.509 3.109 310 HD2 HIS 624 2HD HIS 624 5.058 10.028 -0.121 311 HE1 HIS 624 1HE HIS 624 7.869 8.644 2.717 312 HE2 HIS 624 2HE HIS 624 7.516 10.032 0.606 313 H ILE 625 H ILE 625 2.611 4.702 1.482 314 HA ILE 625 HA ILE 625 -0.188 5.491 1.630 315 HB ILE 625 HB ILE 625 -0.921 3.315 0.792 316 HG12 ILE 625 1HG ILE 625 2.022 2.758 0.533 317 HG23 ILE 625 2HG ILE 625 -0.673 5.076 -0.878 318 HD11 ILE 625 1HD ILE 625 -0.283 1.019 -0.431 319 H ASN 626 H ASN 626 -1.262 4.361 3.217 320 HA ASN 626 HA ASN 626 0.407 2.744 5.039 321 HB2 ASN 626 2HB ASN 626 0.103 5.048 5.941 322 HB3 ASN 626 1HB ASN 626 -1.640 4.826 5.861 323 HD21 ASN 626 2HD ASN 626 -1.455 3.916 9.202 324 H VAL 627 H VAL 627 -0.823 1.159 6.241 325 HA VAL 627 HA VAL 627 -3.195 0.320 4.815 326 HB VAL 627 HB VAL 627 -1.855 -1.002 7.202 327 HG13 VAL 627 1HG VAL 627 -3.225 -2.956 6.600 328 HG21 VAL 627 2HG VAL 627 -0.396 -1.004 5.267 329 H CYS 628 H CYS 628 -4.981 1.046 5.320 330 HA CYS 628 HA CYS 628 -6.788 1.811 6.240 331 HB2 CYS 628 2HB CYS 628 -7.513 1.112 8.467 332 HB3 CYS 628 1HB CYS 628 -6.745 -0.230 7.651 333 H GLY 629 H GLY 629 -7.633 3.553 7.081 334 HA2 GLY 629 2HA GLY 629 -7.787 5.559 8.271 335 HA3 GLY 629 1HA GLY 629 -6.242 5.201 9.021 336 HA PRO 630 HA PRO 630 -5.003 8.209 6.012 337 HB2 PRO 630 2HB PRO 630 -3.789 9.771 7.852 338 HB3 PRO 630 1HB PRO 630 -5.495 9.876 7.409 339 HG2 PRO 630 2HG PRO 630 -4.329 8.910 9.933 340 HG3 PRO 630 1HG PRO 630 -6.042 9.221 9.545 341 HD2 PRO 630 2HD PRO 630 -4.441 6.789 9.580 342 HD3 PRO 630 1HD PRO 630 -6.208 7.013 9.644 343 H VAL 631 H VAL 631 -2.848 9.067 5.570 344 HA VAL 631 HA VAL 631 -0.704 7.354 6.556 345 HB VAL 631 HB VAL 631 -0.937 7.349 4.075 346 HG13 VAL 631 1HG VAL 631 -1.931 9.442 3.681 347 HG21 VAL 631 2HG VAL 631 1.346 7.936 3.464 348 H SER 632 H SER 632 0.831 8.264 7.781 349 HA SER 632 HA SER 632 0.418 11.070 8.332 350 HB2 SER 632 2HB SER 632 0.277 9.421 10.234 351 HB3 SER 632 1HB SER 632 1.975 9.046 9.972 352 HG SER 632 HG SER 632 0.903 10.942 11.389 353 H VAL 633 H VAL 633 1.438 11.605 6.378 354 HA VAL 633 HA VAL 633 4.324 11.671 6.753 355 HB VAL 633 HB VAL 633 3.781 10.082 4.909 356 HG13 VAL 633 1HG VAL 633 1.828 10.790 4.005 357 HG21 VAL 633 2HG VAL 633 5.245 12.541 3.991 358 H GLY 634 H GLY 634 5.350 13.570 6.307 359 HA2 GLY 634 2HA GLY 634 3.715 15.925 6.255 360 HA3 GLY 634 1HA GLY 634 5.471 15.877 6.278 361 H ALA 635 H ALA 635 3.004 14.749 4.158 362 HA ALA 635 HA ALA 635 4.052 16.312 1.929 363 HB1 ALA 635 1HB ALA 635 5.014 14.060 1.673 364 HB2 ALA 635 2HB ALA 635 3.825 14.384 0.415 365 HB3 ALA 635 3HB ALA 635 3.400 13.356 1.781 366 H CYS 636 H CYS 636 1.510 14.178 3.220 367 HA CYS 636 HA CYS 636 -0.361 16.128 2.100 368 HB2 CYS 636 2HB CYS 636 -0.675 13.136 2.014 369 HB3 CYS 636 1HB CYS 636 -2.015 14.239 1.737 370 HA PRO 637 HA PRO 637 -2.155 16.679 6.029 371 HB2 PRO 637 2HB PRO 637 -4.839 16.731 5.332 372 HB3 PRO 637 1HB PRO 637 -3.740 18.107 5.194 373 HG2 PRO 637 2HG PRO 637 -4.594 16.143 3.109 374 HG3 PRO 637 1HG PRO 637 -4.414 17.904 2.982 375 HD2 PRO 637 2HD PRO 637 -2.560 16.290 2.004 376 HD3 PRO 637 1HD PRO 637 -2.091 17.774 2.858 377 HA PRO 638 HA PRO 638 -3.293 12.795 7.856 378 HB2 PRO 638 2HB PRO 638 -5.201 13.712 9.665 379 HB3 PRO 638 1HB PRO 638 -3.460 13.665 9.943 380 HG2 PRO 638 2HG PRO 638 -5.173 15.941 9.063 381 HG3 PRO 638 1HG PRO 638 -3.794 15.936 10.176 382 HD2 PRO 638 2HD PRO 638 -3.544 16.833 7.688 383 HD3 PRO 638 1HD PRO 638 -2.241 15.891 8.445 384 H ASP 639 H ASP 639 -5.607 14.671 6.213 385 HA ASP 639 HA ASP 639 -7.739 12.753 6.460 386 HB2 ASP 639 2HB ASP 639 -7.423 15.193 4.730 387 HB3 ASP 639 1HB ASP 639 -8.793 14.091 4.589 388 H SER 640 H SER 640 -4.892 12.783 4.702 389 HA SER 640 HA SER 640 -6.034 11.259 2.485 390 HB2 SER 640 2HB SER 640 -3.213 12.259 2.929 391 HB3 SER 640 1HB SER 640 -3.826 11.508 1.458 392 HG SER 640 HG SER 640 -5.256 13.694 2.381 393 H GLY 641 H GLY 641 -5.628 9.077 2.231 394 HA2 GLY 641 2HA GLY 641 -4.133 7.721 4.383 395 HA3 GLY 641 1HA GLY 641 -5.331 6.961 3.340 396 H ALA 642 H ALA 642 -4.066 8.417 1.043 397 HA ALA 642 HA ALA 642 -1.450 7.154 0.831 398 HB1 ALA 642 1HB ALA 642 -2.882 5.480 -0.161 399 HB2 ALA 642 2HB ALA 642 -2.056 6.350 -1.436 400 HB3 ALA 642 3HB ALA 642 -3.743 6.725 -1.108 401 H CYS 643 H CYS 643 -0.086 8.431 -0.040 402 HA CYS 643 HA CYS 643 -1.003 10.760 -1.550 403 HB2 CYS 643 2HB CYS 643 -0.889 11.578 0.667 404 HB3 CYS 643 1HB CYS 643 0.657 10.788 0.956 405 H GLN 644 H GLN 644 0.309 11.175 -3.202 406 HA GLN 644 HA GLN 644 2.962 9.936 -3.135 407 HB2 GLN 644 2HB GLN 644 2.994 10.279 -5.496 408 HB3 GLN 644 1HB GLN 644 1.822 9.009 -5.043 409 HG2 GLN 644 2HG GLN 644 0.069 10.719 -5.372 410 HG3 GLN 644 1HG GLN 644 1.308 11.878 -5.819 411 HE21 GLN 644 2HE GLN 644 1.717 10.619 -9.066 412 H VAL 645 H VAL 645 4.685 11.142 -3.703 413 HA VAL 645 HA VAL 645 4.182 13.893 -4.340 414 HB VAL 645 HB VAL 645 4.538 13.976 -1.911 415 HG13 VAL 645 1HG VAL 645 5.712 11.926 -1.560 416 HG21 VAL 645 2HG VAL 645 6.981 14.986 -3.379 417 H SER 646 H SER 646 5.476 14.704 -5.736 418 HA SER 646 HA SER 646 7.216 12.886 -7.130 419 HB2 SER 646 2HB SER 646 5.770 14.434 -8.360 420 HB3 SER 646 1HB SER 646 6.599 15.798 -7.605 421 HG SER 646 HG SER 646 7.299 15.100 -9.794 422 H ARG 647 H ARG 647 9.265 12.691 -6.639 423 HA ARG 647 HA ARG 647 10.486 14.478 -4.775 424 HB2 ARG 647 2HB ARG 647 12.437 13.019 -4.875 425 HB3 ARG 647 1HB ARG 647 11.006 12.022 -4.932 426 HG2 ARG 647 2HG ARG 647 11.319 12.003 -7.446 427 HG3 ARG 647 1HG ARG 647 12.943 12.615 -7.110 428 HD2 ARG 647 2HD ARG 647 11.715 10.051 -6.087 429 HD3 ARG 647 1HD ARG 647 13.010 10.213 -7.268 430 HE ARG 647 HE ARG 647 14.150 11.361 -5.199 431 HH12 ARG 647 1HH ARG 647 12.981 7.701 -3.892 432 HH21 ARG 647 2HH ARG 647 14.693 8.827 -2.805 433 H SER 648 H SER 648 10.237 14.230 -8.154 434 HA SER 648 HA SER 648 12.283 16.091 -8.843 435 HB2 SER 648 2HB SER 648 10.048 14.769 -10.318 436 HB3 SER 648 1HB SER 648 11.231 15.736 -11.163 437 HG SER 648 HG SER 648 12.820 14.330 -10.401 438 H ASP 649 H ASP 649 8.698 16.214 -8.715 439 HA ASP 649 HA ASP 649 8.741 19.031 -9.575 440 HB2 ASP 649 2HB ASP 649 6.304 17.320 -9.015 441 HB3 ASP 649 1HB ASP 649 6.330 18.882 -9.808 442 H ARG 650 H ARG 650 8.576 17.301 -6.751 443 HA ARG 650 HA ARG 650 8.125 17.705 -4.580 444 HB2 ARG 650 2HB ARG 650 8.441 20.648 -5.261 445 HB3 ARG 650 1HB ARG 650 8.408 19.989 -3.639 446 HG2 ARG 650 2HG ARG 650 10.669 20.352 -4.023 447 HG3 ARG 650 1HG ARG 650 10.489 18.636 -4.396 448 HD2 ARG 650 2HD ARG 650 11.832 19.687 -6.111 449 HD3 ARG 650 1HD ARG 650 10.255 19.236 -6.780 450 HE ARG 650 HE ARG 650 10.321 21.895 -5.740 451 HH12 ARG 650 1HH ARG 650 10.780 21.383 -9.717 452 HH21 ARG 650 2HH ARG 650 10.294 23.519 -8.807 453 H LYS 651 H LYS 651 5.949 17.736 -6.545 454 HA LYS 651 HA LYS 651 3.928 19.097 -4.922 455 HB2 LYS 651 2HB LYS 651 3.601 17.593 -7.491 456 HB3 LYS 651 1HB LYS 651 2.369 18.522 -6.674 457 HG2 LYS 651 2HG LYS 651 3.893 20.515 -7.034 458 HG3 LYS 651 1HG LYS 651 4.804 19.470 -8.090 459 HD2 LYS 651 2HD LYS 651 2.872 18.901 -9.439 460 HD3 LYS 651 1HD LYS 651 1.838 19.914 -8.436 461 HE2 LYS 651 2HE LYS 651 3.074 21.862 -9.152 462 HE3 LYS 651 1HE LYS 651 4.125 20.829 -10.147 463 HZ1 LYS 651 3HZ LYS 651 1.199 21.196 -10.479 464 HZ2 LYS 651 1HZ LYS 651 2.182 20.200 -11.432 465 HZ3 LYS 651 2HZ LYS 651 2.388 21.875 -11.452 466 H SER 652 H SER 652 2.264 17.906 -3.946 467 HA SER 652 HA SER 652 2.517 15.050 -4.261 468 HB2 SER 652 2HB SER 652 1.844 14.748 -1.932 469 HB3 SER 652 1HB SER 652 3.392 15.545 -2.103 470 HG SER 652 HG SER 652 1.605 16.446 -0.582 471 H TRP 653 H TRP 653 0.696 13.912 -4.326 472 HA TRP 653 HA TRP 653 -1.733 15.499 -4.690 473 HB2 TRP 653 2HB TRP 653 -0.810 13.133 -6.349 474 HB3 TRP 653 1HB TRP 653 -2.349 13.957 -6.542 475 HD1 TRP 653 HD TRP 653 -2.278 16.394 -7.779 476 HE1 TRP 653 1HE TRP 653 -0.465 17.492 -9.328 477 HE3 TRP 653 3HE TRP 653 1.717 13.379 -6.736 478 HZ2 TRP 653 2HZ TRP 653 2.209 17.095 -9.995 479 HZ3 TRP 653 3HZ TRP 653 3.832 13.779 -7.837 480 HH2 TRP 653 HH TRP 653 4.095 15.619 -9.453 481 H ASN 654 H ASN 654 -3.682 14.305 -4.294 482 HA ASN 654 HA ASN 654 -3.370 12.491 -2.016 483 HB2 ASN 654 2HB ASN 654 -4.853 14.607 -1.987 484 HB3 ASN 654 1HB ASN 654 -5.811 13.798 -3.178 485 HD21 ASN 654 2HD ASN 654 -7.167 13.420 0.259 486 H LEU 655 H LEU 655 -3.748 10.358 -2.311 487 HA LEU 655 HA LEU 655 -4.919 9.514 -4.868 488 HB2 LEU 655 2HB LEU 655 -3.123 8.004 -2.999 489 HB3 LEU 655 1HB LEU 655 -3.652 7.487 -4.586 490 HG LEU 655 HG LEU 655 -1.763 9.720 -3.928 491 HD13 LEU 655 1HD LEU 655 -0.778 7.536 -3.803 492 HD21 LEU 655 2HD LEU 655 -2.907 8.918 -6.596 493 H GLY 656 H GLY 656 -6.073 10.153 -2.085 494 HA2 GLY 656 2HA GLY 656 -8.334 8.924 -2.029 495 HA3 GLY 656 1HA GLY 656 -7.301 7.573 -1.574 496 H ARG 657 H ARG 657 -9.261 9.848 -0.365 497 HA ARG 657 HA ARG 657 -7.778 10.666 1.850 498 HB2 ARG 657 2HB ARG 657 -10.755 10.666 1.331 499 HB3 ARG 657 1HB ARG 657 -10.023 11.247 2.819 500 HG2 ARG 657 2HG ARG 657 -8.747 12.909 1.585 501 HG3 ARG 657 1HG ARG 657 -9.443 12.319 0.078 502 HD2 ARG 657 2HD ARG 657 -11.053 13.420 2.368 503 HD3 ARG 657 1HD ARG 657 -10.521 14.392 0.997 504 HE ARG 657 HE ARG 657 -11.827 12.425 -0.231 505 HH12 ARG 657 1HH ARG 657 -14.455 14.283 2.197 506 HH21 ARG 657 2HH ARG 657 -15.195 13.169 0.207 507 H SER 658 H SER 658 -8.421 10.175 4.070 508 HA SER 658 HA SER 658 -7.593 7.618 4.635 509 HB2 SER 658 2HB SER 658 -8.243 8.179 6.968 510 HB3 SER 658 1HB SER 658 -7.239 9.390 6.171 511 HG SER 658 HG SER 658 -10.036 9.615 6.048 512 H ASN 659 H ASN 659 -8.496 5.752 4.961 513 HA ASN 659 HA ASN 659 -11.309 5.388 5.503 514 HB2 ASN 659 2HB ASN 659 -11.204 5.612 3.045 515 HB3 ASN 659 1HB ASN 659 -9.973 4.344 3.016 516 HD21 ASN 659 2HD ASN 659 -12.574 2.241 2.267 517 H ALA 660 H ALA 660 -11.612 3.264 6.341 518 HA ALA 660 HA ALA 660 -9.070 1.867 6.778 519 HB1 ALA 660 1HB ALA 660 -9.777 1.298 9.014 520 HB2 ALA 660 2HB ALA 660 -11.294 2.169 8.789 521 HB3 ALA 660 3HB ALA 660 -9.762 3.049 8.804 522 H LYS 661 H LYS 661 -11.776 1.649 5.140 523 HA LYS 661 HA LYS 661 -12.657 -0.941 6.002 524 HB2 LYS 661 2HB LYS 661 -13.455 0.534 3.469 525 HB3 LYS 661 1HB LYS 661 -14.277 -0.815 4.237 526 HG2 LYS 661 2HG LYS 661 -14.061 1.965 5.304 527 HG3 LYS 661 1HG LYS 661 -15.491 1.164 4.659 528 HD2 LYS 661 2HD LYS 661 -15.204 -0.552 6.506 529 HD3 LYS 661 1HD LYS 661 -13.949 0.550 7.124 530 HE2 LYS 661 2HE LYS 661 -16.781 1.294 6.613 531 HE3 LYS 661 1HE LYS 661 -16.146 0.872 8.210 532 HZ1 LYS 661 3HZ LYS 661 -16.198 3.287 7.909 533 HZ2 LYS 661 1HZ LYS 661 -15.274 3.165 6.514 534 HZ3 LYS 661 2HZ LYS 661 -14.611 2.765 8.001 535 H LEU 662 H LEU 662 -11.457 -2.627 5.577 536 HA LEU 662 HA LEU 662 -9.787 -2.732 3.207 537 HB2 LEU 662 2HB LEU 662 -10.384 -4.791 5.306 538 HB3 LEU 662 1HB LEU 662 -9.201 -5.018 4.023 539 HG LEU 662 HG LEU 662 -9.087 -3.212 6.432 540 HD13 LEU 662 1HD LEU 662 -7.368 -5.492 5.498 541 HD21 LEU 662 2HD LEU 662 -7.198 -3.333 4.085 542 H SER 663 H SER 663 -10.126 -4.351 1.543 543 HA SER 663 HA SER 663 -12.877 -5.362 1.469 544 HB2 SER 663 2HB SER 663 -11.195 -4.308 -0.810 545 HB3 SER 663 1HB SER 663 -12.863 -4.878 -0.901 546 HG SER 663 HG SER 663 -12.400 -2.946 0.977 547 H TYR 664 H TYR 664 -13.072 -7.341 0.447 548 HA TYR 664 HA TYR 664 -10.546 -8.737 -0.031 549 HB2 TYR 664 2HB TYR 664 -11.805 -9.285 2.161 550 HB3 TYR 664 1HB TYR 664 -13.038 -9.987 1.128 551 HD1 TYR 664 2HD TYR 664 -11.373 -11.375 -0.877 552 HD2 TYR 664 1HD TYR 664 -10.918 -11.029 3.313 553 HE1 TYR 664 2HE TYR 664 -10.149 -13.505 -0.855 554 HE2 TYR 664 1HE TYR 664 -9.688 -13.156 3.356 555 HH TYR 664 HH TYR 664 -8.600 -14.691 0.481 556 H TYR 665 H TYR 665 -10.540 -9.390 -2.110 557 HA TYR 665 HA TYR 665 -13.128 -9.832 -3.448 558 HB2 TYR 665 2HB TYR 665 -11.496 -8.082 -4.396 559 HB3 TYR 665 1HB TYR 665 -10.408 -9.433 -4.721 560 HD1 TYR 665 1HD TYR 665 -13.821 -8.220 -5.330 561 HD2 TYR 665 2HD TYR 665 -10.651 -10.673 -6.712 562 HE1 TYR 665 1HE TYR 665 -15.073 -8.643 -7.339 563 HE2 TYR 665 2HE TYR 665 -11.901 -11.129 -8.780 564 HH TYR 665 HH TYR 665 -14.236 -11.110 -9.546 565 H ASP 666 H ASP 666 -13.404 -11.907 -4.301 566 HA ASP 666 HA ASP 666 -12.246 -14.025 -2.976 567 HB2 ASP 666 2HB ASP 666 -14.256 -14.219 -4.433 568 HB3 ASP 666 1HB ASP 666 -13.205 -14.134 -5.842 569 H GLY 667 H GLY 667 -10.286 -14.752 -2.868 570 HA2 GLY 667 2HA GLY 667 -8.372 -15.739 -3.952 571 HA3 GLY 667 1HA GLY 667 -8.548 -14.538 -5.217 572 H MET 668 H MET 668 -8.736 -12.141 -3.760 573 HA MET 668 HA MET 668 -6.281 -12.085 -2.163 574 HB2 MET 668 2HB MET 668 -6.628 -10.246 -4.544 575 HB3 MET 668 1HB MET 668 -5.355 -10.181 -3.339 576 HG2 MET 668 2HG MET 668 -4.422 -11.150 -5.295 577 HG3 MET 668 1HG MET 668 -4.619 -12.454 -4.132 578 HE1 MET 668 3HE MET 668 -4.010 -12.947 -7.201 579 HE2 MET 668 1HE MET 668 -5.128 -14.268 -7.555 580 HE3 MET 668 2HE MET 668 -4.251 -14.241 -6.028 581 H ILE 669 H ILE 669 -6.100 -10.413 -0.776 582 HA ILE 669 HA ILE 669 -8.511 -8.968 -0.165 583 HB ILE 669 HB ILE 669 -5.765 -8.865 1.169 584 HG12 ILE 669 1HG ILE 669 -6.930 -10.033 3.109 585 HG23 ILE 669 2HG ILE 669 -6.893 -6.775 1.538 586 HD11 ILE 669 1HD ILE 669 -6.900 -12.281 2.245 587 H GLN 670 H GLN 670 -8.790 -6.735 -0.454 588 HA GLN 670 HA GLN 670 -6.635 -5.294 -1.801 589 HB2 GLN 670 2HB GLN 670 -9.507 -5.484 -2.735 590 HB3 GLN 670 1HB GLN 670 -8.414 -4.220 -3.279 591 HG2 GLN 670 2HG GLN 670 -7.001 -5.801 -4.366 592 HG3 GLN 670 1HG GLN 670 -7.903 -7.190 -3.708 593 HE21 GLN 670 2HE GLN 670 -10.663 -5.801 -5.983 594 H LEU 671 H LEU 671 -6.652 -3.083 -1.407 595 HA LEU 671 HA LEU 671 -8.576 -2.270 0.693 596 HB2 LEU 671 2HB LEU 671 -6.037 -2.504 1.263 597 HB3 LEU 671 1HB LEU 671 -5.843 -1.022 0.345 598 HG LEU 671 HG LEU 671 -7.352 -1.452 2.907 599 HD13 LEU 671 1HD LEU 671 -5.736 0.068 3.881 600 HD21 LEU 671 2HD LEU 671 -7.099 1.121 1.352 601 H THR 672 H THR 672 -9.863 -0.660 0.090 602 HA THR 672 HA THR 672 -9.229 0.810 -2.364 603 HB THR 672 HB THR 672 -11.903 0.313 -1.025 604 HG1 THR 672 1HG THR 672 -10.346 -1.137 -2.778 605 HG21 THR 672 2HG THR 672 -11.192 1.290 -3.802 606 H TYR 673 H TYR 673 -8.820 2.958 -2.047 607 HA TYR 673 HA TYR 673 -9.805 4.131 0.432 608 HB2 TYR 673 2HB TYR 673 -7.528 4.763 -1.277 609 HB3 TYR 673 1HB TYR 673 -8.173 6.102 -0.298 610 HD1 TYR 673 1HD TYR 673 -8.416 5.572 2.197 611 HD2 TYR 673 2HD TYR 673 -5.923 3.302 -0.384 612 HE1 TYR 673 1HE TYR 673 -7.213 4.720 4.138 613 HE2 TYR 673 2HE TYR 673 -4.699 2.430 1.578 614 HH TYR 673 HH TYR 673 -4.301 3.109 4.028 615 H ARG 674 H ARG 674 -10.001 6.716 0.061 616 HA ARG 674 HA ARG 674 -12.500 6.775 -1.373 617 HB2 ARG 674 2HB ARG 674 -11.161 9.000 0.134 618 HB3 ARG 674 1HB ARG 674 -12.828 8.971 -0.426 619 HG2 ARG 674 2HG ARG 674 -11.560 7.251 1.706 620 HG3 ARG 674 1HG ARG 674 -12.757 8.511 1.962 621 HD2 ARG 674 2HD ARG 674 -13.198 5.938 0.446 622 HD3 ARG 674 1HD ARG 674 -13.727 6.248 2.097 623 HE ARG 674 HE ARG 674 -14.837 8.252 0.640 624 HH12 ARG 674 1HH ARG 674 -16.518 4.657 -0.229 625 HH21 ARG 674 2HH ARG 674 -17.746 6.652 -0.486 626 H ASP 675 H ASP 675 -12.979 8.997 -2.376 627 HA ASP 675 HA ASP 675 -11.969 9.068 -4.921 628 HB2 ASP 675 2HB ASP 675 -13.235 11.130 -5.160 629 HB3 ASP 675 1HB ASP 675 -14.146 9.960 -4.217 630 H GLY 676 H GLY 676 -11.067 11.059 -2.236 631 HA2 GLY 676 2HA GLY 676 -9.047 12.263 -1.778 632 HA3 GLY 676 1HA GLY 676 -8.353 11.381 -3.117 633 H THR 677 H THR 677 -7.288 12.959 -4.171 634 HA THR 677 HA THR 677 -8.693 15.395 -4.863 635 HB THR 677 HB THR 677 -5.772 14.614 -5.009 636 HG1 THR 677 1HG THR 677 -7.318 16.291 -3.415 637 HG21 THR 677 2HG THR 677 -6.299 16.013 -6.978 638 HA PRO 678 HA PRO 678 -9.296 13.229 -8.739 639 HB2 PRO 678 2HB PRO 678 -10.872 14.970 -9.986 640 HB3 PRO 678 1HB PRO 678 -11.443 14.017 -8.635 641 HG2 PRO 678 2HG PRO 678 -10.506 16.866 -8.574 642 HG3 PRO 678 1HG PRO 678 -11.936 16.155 -7.807 643 HD2 PRO 678 2HD PRO 678 -9.606 16.599 -6.465 644 HD3 PRO 678 1HD PRO 678 -10.716 15.277 -6.056 645 H TYR 679 H TYR 679 -7.703 13.053 -10.004 646 HA TYR 679 HA TYR 679 -5.567 13.679 -10.739 647 HB2 TYR 679 2HB TYR 679 -7.615 14.125 -12.861 648 HB3 TYR 679 1HB TYR 679 -5.902 14.322 -13.201 649 HD1 TYR 679 1HD TYR 679 -8.284 11.837 -11.759 650 HD2 TYR 679 2HD TYR 679 -4.685 12.494 -13.871 651 HE1 TYR 679 1HE TYR 679 -8.089 9.413 -12.153 652 HE2 TYR 679 2HE TYR 679 -4.474 10.080 -14.291 653 HH TYR 679 HH TYR 679 -5.275 7.935 -13.341 654 H ASN 680 H ASN 680 -7.041 16.191 -12.538 655 HA ASN 680 HA ASN 680 -6.544 18.439 -11.088 656 HB2 ASN 680 2HB ASN 680 -4.429 19.381 -11.874 657 HB3 ASN 680 1HB ASN 680 -4.095 17.827 -11.146 658 HD21 ASN 680 2HD ASN 680 -3.676 16.554 -14.693 659 H ASN 681 H ASN 681 -8.187 17.120 -13.274 660 HA ASN 681 HA ASN 681 -7.785 19.181 -15.299 661 HB2 ASN 681 2HB ASN 681 -8.724 17.640 -16.979 662 HB3 ASN 681 1HB ASN 681 -7.235 17.018 -16.278 663 HD21 ASN 681 2HD ASN 681 -8.733 14.143 -15.075 664 H GLU 682 H GLU 682 -9.815 19.405 -16.648 665 HA GLU 682 HA GLU 682 -11.744 20.632 -15.053 666 HB2 GLU 682 2HB GLU 682 -11.257 21.381 -17.267 667 HB3 GLU 682 1HB GLU 682 -11.750 19.850 -17.958 668 HG2 GLU 682 2HG GLU 682 -14.048 20.299 -17.261 669 HG3 GLU 682 1HG GLU 682 -13.528 21.850 -16.601 670 H LYS 683 H LYS 683 -11.638 17.361 -16.361 671 HA LYS 683 HA LYS 683 -14.444 16.936 -15.964 672 HB2 LYS 683 2HB LYS 683 -12.265 14.912 -16.433 673 HB3 LYS 683 1HB LYS 683 -13.988 14.580 -16.457 674 HG2 LYS 683 2HG LYS 683 -14.171 16.272 -18.320 675 HG3 LYS 683 1HG LYS 683 -12.401 16.272 -18.300 676 HD2 LYS 683 2HD LYS 683 -12.335 13.925 -18.800 677 HD3 LYS 683 1HD LYS 683 -14.096 13.845 -18.696 678 HE2 LYS 683 2HE LYS 683 -14.313 15.313 -20.594 679 HE3 LYS 683 1HE LYS 683 -12.569 15.504 -20.705 680 HZ1 LYS 683 3HZ LYS 683 -13.408 13.897 -22.301 681 HZ2 LYS 683 1HZ LYS 683 -14.072 12.976 -21.070 682 HZ3 LYS 683 2HZ LYS 683 -12.400 13.129 -21.190 683 H ARG 684 H ARG 684 -11.575 16.622 -14.080 684 HA ARG 684 HA ARG 684 -11.137 16.001 -12.023 685 HB2 ARG 684 2HB ARG 684 -14.020 16.674 -11.566 686 HB3 ARG 684 1HB ARG 684 -12.837 16.398 -10.290 687 HG2 ARG 684 2HG ARG 684 -11.517 18.264 -11.122 688 HG3 ARG 684 1HG ARG 684 -12.726 18.547 -12.378 689 HD2 ARG 684 2HD ARG 684 -14.400 18.848 -10.671 690 HD3 ARG 684 1HD ARG 684 -13.145 18.573 -9.450 691 HE ARG 684 HE ARG 684 -12.171 20.591 -10.973 692 HH12 ARG 684 1HH ARG 684 -15.293 21.791 -8.661 693 HH21 ARG 684 2HH ARG 684 -13.669 23.387 -9.449 694 H THR 685 H THR 685 -10.649 14.049 -12.452 695 HA THR 685 HA THR 685 -12.592 11.931 -11.925 696 HB THR 685 HB THR 685 -9.842 11.786 -13.168 697 HG1 THR 685 1HG THR 685 -12.409 12.217 -14.156 698 HG21 THR 685 2HG THR 685 -10.530 9.750 -12.076 699 HA PRO 686 HA PRO 686 -10.545 11.944 -7.916 700 HB2 PRO 686 2HB PRO 686 -11.693 9.677 -6.930 701 HB3 PRO 686 1HB PRO 686 -12.485 11.241 -6.969 702 HG2 PRO 686 2HG PRO 686 -12.767 8.970 -8.905 703 HG3 PRO 686 1HG PRO 686 -14.036 9.985 -8.192 704 HD2 PRO 686 2HD PRO 686 -13.137 10.397 -10.674 705 HD3 PRO 686 1HD PRO 686 -13.581 11.761 -9.628 706 H ARG 687 H ARG 687 -8.615 11.192 -7.313 707 HA ARG 687 HA ARG 687 -7.525 8.863 -8.690 708 HB2 ARG 687 2HB ARG 687 -6.208 10.683 -6.668 709 HB3 ARG 687 1HB ARG 687 -5.411 9.441 -7.607 710 HG2 ARG 687 2HG ARG 687 -5.905 10.761 -9.649 711 HG3 ARG 687 1HG ARG 687 -6.571 12.031 -8.613 712 HD2 ARG 687 2HD ARG 687 -4.385 12.059 -7.393 713 HD3 ARG 687 1HD ARG 687 -3.745 10.978 -8.624 714 HE ARG 687 HE ARG 687 -4.638 13.738 -9.030 715 HH12 ARG 687 1HH ARG 687 -1.912 11.859 -11.372 716 HH21 ARG 687 2HH ARG 687 -2.239 14.179 -11.563 717 H ALA 688 H ALA 688 -7.596 6.964 -7.717 718 HA ALA 688 HA ALA 688 -7.909 6.980 -4.798 719 HB1 ALA 688 1HB ALA 688 -9.362 5.176 -6.734 720 HB2 ALA 688 2HB ALA 688 -10.076 6.512 -5.834 721 HB3 ALA 688 3HB ALA 688 -9.463 5.098 -4.974 722 H THR 689 H THR 689 -7.338 4.900 -3.847 723 HA THR 689 HA THR 689 -5.163 3.623 -5.334 724 HB THR 689 HB THR 689 -5.349 4.151 -2.357 725 HG1 THR 689 1HG THR 689 -4.880 5.989 -3.623 726 HG21 THR 689 2HG THR 689 -3.106 2.962 -4.001 727 H LEU 690 H LEU 690 -5.250 1.493 -5.503 728 HA LEU 690 HA LEU 690 -7.039 -0.006 -3.749 729 HB2 LEU 690 2HB LEU 690 -7.901 0.322 -6.131 730 HB3 LEU 690 1HB LEU 690 -6.497 -0.549 -6.691 731 HG LEU 690 HG LEU 690 -8.490 -1.947 -6.742 732 HD13 LEU 690 1HD LEU 690 -6.420 -3.101 -6.312 733 HD21 LEU 690 2HD LEU 690 -9.656 -2.606 -4.710 734 H ILE 691 H ILE 691 -5.755 -1.206 -2.579 735 HA ILE 691 HA ILE 691 -3.110 -1.953 -3.635 736 HB ILE 691 HB ILE 691 -4.125 -2.161 -0.780 737 HG12 ILE 691 1HG ILE 691 -2.365 -0.022 -2.013 738 HG23 ILE 691 2HG ILE 691 -1.760 -2.401 -0.221 739 HD11 ILE 691 1HD ILE 691 -1.791 -0.430 0.329 740 H THR 692 H THR 692 -2.882 -4.038 -4.340 741 HA THR 692 HA THR 692 -4.946 -5.949 -3.631 742 HB THR 692 HB THR 692 -2.785 -6.080 -5.679 743 HG1 THR 692 1HG THR 692 -5.042 -5.568 -6.953 744 HG21 THR 692 2HG THR 692 -5.449 -7.493 -5.461 745 H PHE 693 H PHE 693 -4.369 -7.342 -2.094 746 HA PHE 693 HA PHE 693 -1.579 -7.605 -1.305 747 HB2 PHE 693 2HB PHE 693 -4.146 -8.420 -0.063 748 HB3 PHE 693 1HB PHE 693 -2.575 -8.709 0.687 749 HD1 PHE 693 1HD PHE 693 -4.800 -5.999 -0.523 750 HD2 PHE 693 2HD PHE 693 -1.573 -7.032 2.034 751 HE1 PHE 693 1HE PHE 693 -4.928 -3.815 0.510 752 HE2 PHE 693 2HE PHE 693 -1.684 -4.835 3.074 753 HZ PHE 693 HZ PHE 693 -3.365 -3.211 2.320 754 H LEU 694 H LEU 694 -0.490 -9.363 -1.603 755 HA LEU 694 HA LEU 694 -1.872 -11.802 -2.518 756 HB2 LEU 694 2HB LEU 694 0.907 -10.936 -3.274 757 HB3 LEU 694 1HB LEU 694 -0.023 -12.243 -3.955 758 HG LEU 694 HG LEU 694 -0.507 -9.320 -4.295 759 HD13 LEU 694 1HD LEU 694 0.386 -11.418 -6.255 760 HD21 LEU 694 2HD LEU 694 -2.621 -10.455 -4.288 761 H CYS 695 H CYS 695 -0.463 -13.657 -2.100 762 HA CYS 695 HA CYS 695 0.589 -13.536 0.588 763 HB2 CYS 695 2HB CYS 695 -0.691 -15.524 -0.177 764 HB3 CYS 695 1HB CYS 695 0.563 -15.879 -1.356 765 H ASP 696 H ASP 696 2.758 -13.556 1.140 766 HA ASP 696 HA ASP 696 4.442 -12.675 -1.045 767 HB2 ASP 696 2HB ASP 696 5.949 -11.812 0.548 768 HB3 ASP 696 1HB ASP 696 4.344 -11.438 1.151 769 H ARG 697 H ARG 697 6.264 -13.537 -1.699 770 HA ARG 697 HA ARG 697 6.811 -16.252 -0.845 771 HB2 ARG 697 2HB ARG 697 8.507 -16.256 -2.715 772 HB3 ARG 697 1HB ARG 697 6.861 -15.978 -3.252 773 HG2 ARG 697 2HG ARG 697 7.339 -13.593 -3.475 774 HG3 ARG 697 1HG ARG 697 8.987 -13.863 -2.904 775 HD2 ARG 697 2HD ARG 697 8.892 -13.678 -5.352 776 HD3 ARG 697 1HD ARG 697 9.427 -15.278 -4.854 777 HE ARG 697 HE ARG 697 6.771 -15.623 -5.176 778 HH12 ARG 697 1HH ARG 697 8.431 -14.717 -8.758 779 HH21 ARG 697 2HH ARG 697 6.408 -15.979 -8.638 780 H ASP 698 H ASP 698 8.259 -13.078 -0.991 781 HA ASP 698 HA ASP 698 9.630 -13.534 1.494 782 HB2 ASP 698 2HB ASP 698 11.122 -12.801 -1.035 783 HB3 ASP 698 1HB ASP 698 11.719 -12.368 0.559 784 H ALA 699 H ALA 699 8.786 -11.971 2.632 785 HA ALA 699 HA ALA 699 9.291 -9.257 2.039 786 HB1 ALA 699 1HB ALA 699 6.985 -8.448 1.862 787 HB2 ALA 699 2HB ALA 699 6.393 -10.105 1.918 788 HB3 ALA 699 3HB ALA 699 7.353 -9.562 0.544 789 H GLY 700 H GLY 700 6.786 -11.130 3.784 790 HA2 GLY 700 2HA GLY 700 6.915 -11.612 6.105 791 HA3 GLY 700 1HA GLY 700 8.020 -10.253 6.296 792 H VAL 701 H VAL 701 7.233 -8.341 6.917 793 HA VAL 701 HA VAL 701 4.507 -8.057 7.608 794 HB VAL 701 HB VAL 701 6.371 -6.739 8.648 795 HG13 VAL 701 1HG VAL 701 7.676 -6.129 6.709 796 HG21 VAL 701 2HG VAL 701 5.133 -4.612 8.892 797 H GLY 702 H GLY 702 6.407 -7.211 4.873 798 HA2 GLY 702 2HA GLY 702 5.267 -7.608 2.799 799 HA3 GLY 702 1HA GLY 702 3.933 -6.679 3.422 800 H PHE 703 H PHE 703 5.589 -6.461 1.141 801 HA PHE 703 HA PHE 703 6.438 -3.668 1.411 802 HB2 PHE 703 2HB PHE 703 7.682 -5.795 -0.352 803 HB3 PHE 703 1HB PHE 703 8.047 -4.081 -0.453 804 HD1 PHE 703 2HD PHE 703 9.230 -2.970 1.380 805 HD2 PHE 703 1HD PHE 703 8.626 -7.172 1.325 806 HE1 PHE 703 2HE PHE 703 10.989 -3.232 3.056 807 HE2 PHE 703 1HE PHE 703 10.391 -7.452 3.013 808 HZ PHE 703 HZ PHE 703 11.575 -5.483 3.882 809 HA PRO 704 HA PRO 704 3.258 -3.463 -1.756 810 HB2 PRO 704 2HB PRO 704 3.040 -0.763 -1.748 811 HB3 PRO 704 1HB PRO 704 2.251 -1.783 -0.542 812 HG2 PRO 704 2HG PRO 704 4.738 -0.163 -0.310 813 HG3 PRO 704 1HG PRO 704 3.477 -0.463 0.894 814 HD2 PRO 704 2HD PRO 704 5.899 -1.746 0.837 815 HD3 PRO 704 1HD PRO 704 4.436 -2.413 1.581 816 H GLU 705 H GLU 705 3.444 -3.153 -3.877 817 HA GLU 705 HA GLU 705 5.793 -1.721 -4.893 818 HB2 GLU 705 2HB GLU 705 6.095 -4.143 -4.998 819 HB3 GLU 705 1HB GLU 705 4.559 -4.307 -5.827 820 HG2 GLU 705 2HG GLU 705 5.377 -3.103 -7.681 821 HG3 GLU 705 1HG GLU 705 6.964 -2.852 -6.906 822 H TYR 706 H TYR 706 5.291 -0.235 -6.410 823 HA TYR 706 HA TYR 706 2.528 0.129 -7.085 824 HB2 TYR 706 2HB TYR 706 3.794 2.121 -6.635 825 HB3 TYR 706 1HB TYR 706 5.007 1.722 -7.832 826 HD1 TYR 706 2HD TYR 706 1.262 2.092 -7.740 827 HD2 TYR 706 1HD TYR 706 4.915 2.972 -9.754 828 HE1 TYR 706 2HE TYR 706 0.032 3.339 -9.379 829 HE2 TYR 706 1HE TYR 706 3.694 4.246 -11.421 830 HH TYR 706 HH TYR 706 0.526 5.234 -11.011 831 H GLN 707 H GLN 707 1.526 -0.626 -8.768 832 HA GLN 707 HA GLN 707 3.096 -2.076 -10.708 833 HB2 GLN 707 2HB GLN 707 0.101 -1.869 -10.380 834 HB3 GLN 707 1HB GLN 707 0.926 -2.910 -11.527 835 HG2 GLN 707 2HG GLN 707 1.091 -3.075 -8.530 836 HG3 GLN 707 1HG GLN 707 0.180 -4.151 -9.589 837 HE21 GLN 707 2HE GLN 707 4.175 -4.604 -9.025 838 H GLU 708 H GLU 708 0.158 -0.173 -11.235 839 HA GLU 708 HA GLU 708 1.354 1.728 -12.923 840 HB2 GLU 708 2HB GLU 708 0.358 0.866 -15.053 841 HB3 GLU 708 1HB GLU 708 1.700 -0.081 -14.430 842 HG2 GLU 708 2HG GLU 708 0.098 -1.711 -13.502 843 HG3 GLU 708 1HG GLU 708 -1.226 -0.770 -14.178 844 H GLU 709 H GLU 709 0.035 3.377 -12.720 845 HA GLU 709 HA GLU 709 -2.775 2.931 -12.150 846 HB2 GLU 709 2HB GLU 709 -1.418 4.770 -11.052 847 HB3 GLU 709 1HB GLU 709 -1.316 5.549 -12.614 848 HG2 GLU 709 2HG GLU 709 -3.919 5.006 -11.185 849 HG3 GLU 709 1HG GLU 709 -3.003 6.488 -11.004 850 H ASP 710 H ASP 710 -4.239 2.904 -13.616 851 HA ASP 710 HA ASP 710 -3.947 4.107 -16.238 852 HB2 ASP 710 2HB ASP 710 -2.754 2.034 -16.586 853 HB3 ASP 710 1HB ASP 710 -4.063 1.116 -15.861 854 H ASN 711 H ASN 711 -5.594 1.864 -14.216 855 HA ASN 711 HA ASN 711 -8.206 2.287 -15.298 856 HB2 ASN 711 2HB ASN 711 -8.820 0.749 -13.380 857 HB3 ASN 711 1HB ASN 711 -7.671 0.097 -14.540 858 HD21 ASN 711 2HD ASN 711 -6.581 0.592 -10.698 859 H SER 712 H SER 712 -6.755 4.655 -14.066 860 HA SER 712 HA SER 712 -7.125 6.467 -12.953 861 HB2 SER 712 2HB SER 712 -9.494 7.171 -12.339 862 HB3 SER 712 1HB SER 712 -9.261 6.728 -14.021 863 HG SER 712 HG SER 712 -9.964 4.558 -12.626 864 H THR 713 H THR 713 -6.977 3.775 -11.538 865 HA THR 713 HA THR 713 -6.981 4.902 -8.863 866 HB THR 713 HB THR 713 -7.867 2.138 -9.706 867 HG1 THR 713 1HG THR 713 -9.164 4.515 -9.434 868 HG21 THR 713 2HG THR 713 -6.845 2.152 -7.476 869 H TYR 714 H TYR 714 -5.123 4.446 -7.819 870 HA TYR 714 HA TYR 714 -2.992 3.255 -9.319 871 HB2 TYR 714 2HB TYR 714 -3.106 4.445 -6.545 872 HB3 TYR 714 1HB TYR 714 -1.640 3.828 -7.292 873 HD1 TYR 714 1HD TYR 714 -4.262 6.436 -7.559 874 HD2 TYR 714 2HD TYR 714 -0.421 5.133 -8.822 875 HE1 TYR 714 1HE TYR 714 -3.857 8.621 -8.610 876 HE2 TYR 714 2HE TYR 714 -0.017 7.300 -9.869 877 HH TYR 714 HH TYR 714 -1.589 9.896 -9.135 878 H ASN 715 H ASN 715 -2.702 1.168 -9.324 879 HA ASN 715 HA ASN 715 -3.568 -0.370 -7.022 880 HB2 ASN 715 2HB ASN 715 -2.996 -1.025 -9.831 881 HB3 ASN 715 1HB ASN 715 -2.859 -2.326 -8.648 882 HD21 ASN 715 2HD ASN 715 -6.345 -2.698 -8.192 883 H PHE 716 H PHE 716 -2.304 -1.102 -5.675 884 HA PHE 716 HA PHE 716 0.555 -1.291 -6.263 885 HB2 PHE 716 2HB PHE 716 -0.844 -0.761 -3.634 886 HB3 PHE 716 1HB PHE 716 0.863 -1.145 -3.773 887 HD1 PHE 716 1HD PHE 716 -1.714 1.360 -4.591 888 HD2 PHE 716 2HD PHE 716 2.435 0.465 -4.425 889 HE1 PHE 716 1HE PHE 716 -1.186 3.741 -4.943 890 HE2 PHE 716 2HE PHE 716 2.966 2.837 -4.775 891 HZ PHE 716 HZ PHE 716 1.168 4.469 -5.036 892 H ARG 717 H ARG 717 1.530 -3.112 -5.774 893 HA ARG 717 HA ARG 717 -0.205 -5.358 -5.116 894 HB2 ARG 717 2HB ARG 717 0.846 -5.549 -7.277 895 HB3 ARG 717 1HB ARG 717 2.419 -5.154 -6.605 896 HG2 ARG 717 2HG ARG 717 2.626 -7.123 -5.578 897 HG3 ARG 717 1HG ARG 717 0.915 -7.590 -5.737 898 HD2 ARG 717 2HD ARG 717 2.195 -8.876 -7.325 899 HD3 ARG 717 1HD ARG 717 1.327 -7.651 -8.234 900 HE ARG 717 HE ARG 717 3.846 -6.617 -7.694 901 HH12 ARG 717 1HH ARG 717 3.755 -9.486 -10.562 902 HH21 ARG 717 2HH ARG 717 5.604 -7.961 -10.411 903 H TRP 718 H TRP 718 -0.028 -6.100 -3.120 904 HA TRP 718 HA TRP 718 2.394 -5.392 -1.591 905 HB2 TRP 718 2HB TRP 718 0.138 -4.318 -0.970 906 HB3 TRP 718 1HB TRP 718 -0.371 -5.926 -0.520 907 HD1 TRP 718 HD TRP 718 1.747 -7.042 1.316 908 HE1 TRP 718 1HE TRP 718 2.439 -5.864 3.525 909 HE3 TRP 718 3HE TRP 718 0.168 -2.302 0.284 910 HZ2 TRP 718 2HZ TRP 718 2.337 -3.332 4.636 911 HZ3 TRP 718 3HZ TRP 718 0.488 -0.563 1.999 912 HH2 TRP 718 HH TRP 718 1.552 -1.073 4.113 913 H TYR 719 H TYR 719 3.585 -7.170 -1.311 914 HA TYR 719 HA TYR 719 2.278 -9.764 -1.028 915 HB2 TYR 719 2HB TYR 719 5.185 -8.975 -1.267 916 HB3 TYR 719 1HB TYR 719 4.655 -10.620 -0.962 917 HD1 TYR 719 1HD TYR 719 4.865 -7.938 -3.442 918 HD2 TYR 719 2HD TYR 719 3.633 -11.936 -2.714 919 HE1 TYR 719 1HE TYR 719 4.680 -8.324 -5.863 920 HE2 TYR 719 2HE TYR 719 3.451 -12.331 -5.118 921 HH TYR 719 HH TYR 719 3.141 -11.086 -7.139 922 H THR 720 H THR 720 1.650 -10.303 0.975 923 HA THR 720 HA THR 720 3.471 -9.720 3.147 924 HB THR 720 HB THR 720 1.961 -7.830 3.264 925 HG1 THR 720 1HG THR 720 2.231 -8.180 5.291 926 HG21 THR 720 2HG THR 720 -0.459 -8.114 3.622 927 H SER 721 H SER 721 3.482 -11.178 4.786 928 HA SER 721 HA SER 721 2.540 -13.767 4.309 929 HB2 SER 721 2HB SER 721 3.463 -12.492 6.893 930 HB3 SER 721 1HB SER 721 3.394 -14.226 6.555 931 HG SER 721 HG SER 721 4.723 -13.273 4.586 932 H TYR 722 H TYR 722 1.105 -11.001 5.758 933 HA TYR 722 HA TYR 722 -0.827 -12.383 7.299 934 HB2 TYR 722 2HB TYR 722 -0.615 -9.486 6.483 935 HB3 TYR 722 1HB TYR 722 -1.799 -10.123 7.589 936 HD1 TYR 722 2HD TYR 722 1.819 -9.506 7.156 937 HD2 TYR 722 1HD TYR 722 -1.249 -10.702 9.852 938 HE1 TYR 722 2HE TYR 722 3.389 -9.292 9.026 939 HE2 TYR 722 1HE TYR 722 0.318 -10.484 11.731 940 HH TYR 722 HH TYR 722 2.729 -10.584 12.047 941 H ALA 723 H ALA 723 -0.528 -11.778 3.991 942 HA ALA 723 HA ALA 723 -3.428 -11.895 3.579 943 HB1 ALA 723 1HB ALA 723 -2.927 -11.430 1.223 944 HB2 ALA 723 2HB ALA 723 -1.199 -11.475 1.579 945 HB3 ALA 723 3HB ALA 723 -2.211 -10.209 2.278 946 H CYS 724 H CYS 724 -1.270 -13.961 4.369 947 HA CYS 724 HA CYS 724 -1.934 -16.010 2.385 948 HB2 CYS 724 2HB CYS 724 0.151 -16.046 4.589 949 HB3 CYS 724 1HB CYS 724 -0.061 -17.241 3.317 950 HA PRO 725 HA PRO 725 -4.721 -17.470 5.597 951 HB2 PRO 725 2HB PRO 725 -5.253 -19.937 4.603 952 HB3 PRO 725 1HB PRO 725 -5.924 -18.463 3.893 953 HG2 PRO 725 2HG PRO 725 -3.541 -20.060 3.026 954 HG3 PRO 725 1HG PRO 725 -4.847 -19.380 2.038 955 HD2 PRO 725 2HD PRO 725 -2.440 -18.177 2.266 956 HD3 PRO 725 1HD PRO 725 -3.946 -17.254 2.087 Start of MODEL 4 1 H1 GLU 578 1HT GLU 578 -19.539 -5.213 -11.481 2 H2 GLU 578 2HT GLU 578 -19.904 -5.399 -13.114 3 H3 GLU 578 3HT GLU 578 -20.392 -4.010 -12.273 4 HA GLU 578 HA GLU 578 -17.600 -4.798 -12.722 5 HB2 GLU 578 2HB GLU 578 -19.181 -2.544 -13.989 6 HB3 GLU 578 1HB GLU 578 -17.490 -2.917 -14.284 7 HG2 GLU 578 2HG GLU 578 -18.139 -5.060 -15.269 8 HG3 GLU 578 1HG GLU 578 -19.832 -4.679 -14.966 9 H ALA 579 H ALA 579 -19.421 -1.721 -12.231 10 HA ALA 579 HA ALA 579 -17.417 -0.916 -10.346 11 HB1 ALA 579 1HB ALA 579 -19.914 0.537 -11.237 12 HB2 ALA 579 2HB ALA 579 -18.317 0.705 -11.966 13 HB3 ALA 579 3HB ALA 579 -18.586 1.223 -10.304 14 H GLU 580 H GLU 580 -17.541 -1.996 -8.589 15 HA GLU 580 HA GLU 580 -18.166 -2.860 -6.683 16 HB2 GLU 580 2HB GLU 580 -19.499 -0.203 -6.552 17 HB3 GLU 580 1HB GLU 580 -19.673 -1.336 -5.219 18 HG2 GLU 580 2HG GLU 580 -17.847 0.260 -4.849 19 HG3 GLU 580 1HG GLU 580 -17.277 -1.403 -4.900 20 H ALA 581 H ALA 581 -19.002 -4.704 -7.140 21 HA ALA 581 HA ALA 581 -21.824 -4.883 -6.499 22 HB1 ALA 581 1HB ALA 581 -21.542 -5.426 -8.892 23 HB2 ALA 581 2HB ALA 581 -22.024 -6.841 -7.961 24 HB3 ALA 581 3HB ALA 581 -20.346 -6.651 -8.465 25 H GLU 582 H GLU 582 -21.253 -5.125 -4.391 26 HA GLU 582 HA GLU 582 -19.497 -7.302 -3.738 27 HB2 GLU 582 2HB GLU 582 -19.791 -6.523 -1.361 28 HB3 GLU 582 1HB GLU 582 -19.036 -5.378 -2.451 29 HG2 GLU 582 2HG GLU 582 -21.224 -4.235 -2.666 30 HG3 GLU 582 1HG GLU 582 -21.867 -5.339 -1.445 31 H PHE 583 H PHE 583 -20.362 -8.409 -1.511 32 HA PHE 583 HA PHE 583 -21.568 -10.184 -0.808 33 HB2 PHE 583 2HB PHE 583 -23.853 -8.966 -2.419 34 HB3 PHE 583 1HB PHE 583 -24.026 -10.316 -1.307 35 HD1 PHE 583 1HD PHE 583 -23.896 -9.951 1.102 36 HD2 PHE 583 2HD PHE 583 -23.629 -6.706 -1.629 37 HE1 PHE 583 1HE PHE 583 -24.315 -8.372 2.942 38 HE2 PHE 583 2HE PHE 583 -24.049 -5.124 0.201 39 HZ PHE 583 HZ PHE 583 -24.392 -5.955 2.492 40 H LEU 584 H LEU 584 -20.252 -9.864 -3.529 41 HA LEU 584 HA LEU 584 -21.333 -12.311 -4.740 42 HB2 LEU 584 2HB LEU 584 -21.714 -10.344 -6.144 43 HB3 LEU 584 1HB LEU 584 -20.004 -9.982 -6.136 44 HG LEU 584 HG LEU 584 -19.600 -12.114 -7.359 45 HD13 LEU 584 1HD LEU 584 -21.577 -13.332 -6.651 46 HD21 LEU 584 2HD LEU 584 -20.445 -11.305 -9.514 47 H SER 585 H SER 585 -18.279 -10.645 -5.521 48 HA SER 585 HA SER 585 -16.899 -13.037 -4.525 49 HB2 SER 585 2HB SER 585 -16.163 -11.302 -6.885 50 HB3 SER 585 1HB SER 585 -15.235 -12.690 -6.307 51 HG SER 585 HG SER 585 -17.550 -13.702 -6.606 52 H ARG 586 H ARG 586 -17.111 -9.632 -4.463 53 HA ARG 586 HA ARG 586 -14.662 -9.432 -2.885 54 HB2 ARG 586 2HB ARG 586 -16.269 -7.254 -4.258 55 HB3 ARG 586 1HB ARG 586 -14.965 -6.926 -3.137 56 HG2 ARG 586 2HG ARG 586 -13.427 -8.151 -4.657 57 HG3 ARG 586 1HG ARG 586 -14.756 -8.301 -5.810 58 HD2 ARG 586 2HD ARG 586 -13.689 -5.682 -4.751 59 HD3 ARG 586 1HD ARG 586 -13.173 -6.398 -6.264 60 HE ARG 586 HE ARG 586 -15.804 -6.239 -6.627 61 HH12 ARG 586 1HH ARG 586 -14.401 -2.489 -6.047 62 HH21 ARG 586 2HH ARG 586 -16.168 -2.780 -7.315 63 H THR 587 H THR 587 -14.785 -9.108 -0.816 64 HA THR 587 HA THR 587 -17.382 -8.392 0.352 65 HB THR 587 HB THR 587 -15.150 -9.995 1.636 66 HG1 THR 587 1HG THR 587 -17.568 -11.073 0.616 67 HG21 THR 587 2HG THR 587 -18.077 -9.634 2.293 68 H GLU 588 H GLU 588 -17.296 -6.637 1.821 69 HA GLU 588 HA GLU 588 -14.668 -5.397 2.010 70 HB2 GLU 588 2HB GLU 588 -16.406 -4.088 0.859 71 HB3 GLU 588 1HB GLU 588 -17.418 -4.174 2.288 72 HG2 GLU 588 2HG GLU 588 -15.845 -2.844 3.527 73 HG3 GLU 588 1HG GLU 588 -14.730 -2.841 2.158 74 H GLY 589 H GLY 589 -13.803 -4.889 3.909 75 HA2 GLY 589 2HA GLY 589 -14.971 -6.118 6.288 76 HA3 GLY 589 1HA GLY 589 -13.319 -5.530 6.093 77 H ASP 590 H ASP 590 -13.729 -4.555 8.212 78 HA ASP 590 HA ASP 590 -15.288 -2.123 7.850 79 HB2 ASP 590 2HB ASP 590 -14.893 -3.615 10.432 80 HB3 ASP 590 1HB ASP 590 -15.606 -2.007 10.330 81 H ASN 591 H ASN 591 -13.213 -2.449 10.631 82 HA ASN 591 HA ASN 591 -11.685 -0.297 9.409 83 HB2 ASN 591 2HB ASN 591 -11.118 0.575 11.661 84 HB3 ASN 591 1HB ASN 591 -12.847 0.550 11.368 85 HD21 ASN 591 2HD ASN 591 -13.535 -1.648 13.995 86 H CYS 592 H CYS 592 -9.909 -1.075 8.454 87 HA CYS 592 HA CYS 592 -7.825 -1.899 8.225 88 HB2 CYS 592 2HB CYS 592 -7.878 -1.994 11.237 89 HB3 CYS 592 1HB CYS 592 -6.422 -2.248 10.269 90 H THR 593 H THR 593 -10.332 -3.678 9.029 91 HA THR 593 HA THR 593 -8.890 -6.208 9.099 92 HB THR 593 HB THR 593 -10.698 -6.949 10.736 93 HG1 THR 593 1HG THR 593 -10.856 -4.209 11.336 94 HG21 THR 593 2HG THR 593 -8.769 -4.828 11.705 95 H VAL 594 H VAL 594 -9.990 -7.824 7.995 96 HA VAL 594 HA VAL 594 -12.631 -7.160 7.004 97 HB VAL 594 HB VAL 594 -11.053 -6.783 5.148 98 HG13 VAL 594 1HG VAL 594 -10.305 -9.671 5.439 99 HG21 VAL 594 2HG VAL 594 -12.783 -9.220 4.739 100 H PHE 595 H PHE 595 -14.095 -8.692 7.255 101 HA PHE 595 HA PHE 595 -13.151 -11.416 7.349 102 HB2 PHE 595 2HB PHE 595 -13.663 -10.959 9.698 103 HB3 PHE 595 1HB PHE 595 -15.220 -10.252 9.258 104 HD1 PHE 595 2HD PHE 595 -13.453 -13.382 8.288 105 HD2 PHE 595 1HD PHE 595 -16.955 -11.633 9.948 106 HE1 PHE 595 2HE PHE 595 -14.456 -15.567 8.357 107 HE2 PHE 595 1HE PHE 595 -17.998 -13.858 10.059 108 HZ PHE 595 HZ PHE 595 -16.753 -15.843 9.270 109 H ASP 596 H ASP 596 -14.230 -12.755 6.078 110 HA ASP 596 HA ASP 596 -16.547 -11.590 4.706 111 HB2 ASP 596 2HB ASP 596 -15.756 -12.525 2.721 112 HB3 ASP 596 1HB ASP 596 -14.352 -11.710 3.436 113 H SER 597 H SER 597 -18.259 -12.760 4.471 114 HA SER 597 HA SER 597 -18.502 -15.152 5.918 115 HB2 SER 597 2HB SER 597 -20.837 -15.131 4.892 116 HB3 SER 597 1HB SER 597 -20.384 -13.767 5.920 117 HG SER 597 HG SER 597 -20.905 -13.869 3.215 118 H GLN 598 H GLN 598 -17.533 -14.603 2.594 119 HA GLN 598 HA GLN 598 -18.640 -17.074 1.683 120 HB2 GLN 598 2HB GLN 598 -17.305 -16.627 -0.344 121 HB3 GLN 598 1HB GLN 598 -18.520 -15.389 0.002 122 HG2 GLN 598 2HG GLN 598 -16.778 -13.913 0.771 123 HG3 GLN 598 1HG GLN 598 -15.587 -15.202 0.666 124 HE21 GLN 598 2HE GLN 598 -15.465 -12.855 -2.252 125 H ALA 599 H ALA 599 -15.345 -15.949 2.481 126 HA ALA 599 HA ALA 599 -14.317 -18.603 2.003 127 HB1 ALA 599 1HB ALA 599 -12.159 -17.552 2.339 128 HB2 ALA 599 2HB ALA 599 -12.944 -16.198 3.113 129 HB3 ALA 599 3HB ALA 599 -13.139 -16.404 1.374 130 H GLY 600 H GLY 600 -15.442 -16.512 4.431 131 HA2 GLY 600 2HA GLY 600 -15.799 -16.780 6.661 132 HA3 GLY 600 1HA GLY 600 -15.356 -18.473 6.469 133 H PHE 601 H PHE 601 -13.282 -15.700 5.610 134 HA PHE 601 HA PHE 601 -11.583 -16.645 7.785 135 HB2 PHE 601 2HB PHE 601 -10.700 -15.791 5.052 136 HB3 PHE 601 1HB PHE 601 -9.602 -15.907 6.416 137 HD1 PHE 601 2HD PHE 601 -9.788 -18.253 7.688 138 HD2 PHE 601 1HD PHE 601 -10.779 -17.541 3.634 139 HE1 PHE 601 2HE PHE 601 -9.415 -20.630 7.196 140 HE2 PHE 601 1HE PHE 601 -10.427 -19.925 3.117 141 HZ PHE 601 HZ PHE 601 -9.739 -21.472 4.907 142 H SER 602 H SER 602 -10.767 -15.271 9.123 143 HA SER 602 HA SER 602 -11.480 -12.498 8.701 144 HB2 SER 602 2HB SER 602 -12.161 -13.580 10.811 145 HB3 SER 602 1HB SER 602 -10.483 -13.972 11.161 146 HG SER 602 HG SER 602 -10.808 -12.184 12.243 147 H PHE 603 H PHE 603 -9.981 -11.073 8.194 148 HA PHE 603 HA PHE 603 -7.164 -11.754 8.547 149 HB2 PHE 603 2HB PHE 603 -8.519 -10.663 6.074 150 HB3 PHE 603 1HB PHE 603 -6.799 -10.455 6.352 151 HD1 PHE 603 1HD PHE 603 -5.344 -12.428 6.389 152 HD2 PHE 603 2HD PHE 603 -9.464 -12.812 5.212 153 HE1 PHE 603 1HE PHE 603 -4.871 -14.583 5.310 154 HE2 PHE 603 2HE PHE 603 -8.954 -14.914 4.175 155 HZ PHE 603 HZ PHE 603 -6.681 -15.826 4.206 156 H ASP 604 H ASP 604 -6.230 -10.314 9.782 157 HA ASP 604 HA ASP 604 -7.173 -7.560 9.634 158 HB2 ASP 604 2HB ASP 604 -6.401 -7.202 11.975 159 HB3 ASP 604 1HB ASP 604 -7.666 -8.414 11.871 160 H LEU 605 H LEU 605 -5.865 -6.155 8.860 161 HA LEU 605 HA LEU 605 -3.061 -6.936 8.576 162 HB2 LEU 605 2HB LEU 605 -4.678 -4.977 6.948 163 HB3 LEU 605 1HB LEU 605 -2.994 -5.373 6.675 164 HG LEU 605 HG LEU 605 -5.372 -7.195 6.300 165 HD13 LEU 605 1HD LEU 605 -4.643 -7.248 3.987 166 HD21 LEU 605 2HD LEU 605 -2.435 -7.849 6.013 167 H THR 606 H THR 606 -4.225 -5.761 10.893 168 HA THR 606 HA THR 606 -3.759 -3.041 11.090 169 HB THR 606 HB THR 606 -3.777 -3.516 13.609 170 HG1 THR 606 1HG THR 606 -3.426 -5.589 14.003 171 HG21 THR 606 2HG THR 606 -6.190 -4.016 13.567 172 HA PRO 607 HA PRO 607 0.703 -4.069 12.885 173 HB2 PRO 607 2HB PRO 607 1.370 -6.433 11.218 174 HB3 PRO 607 1HB PRO 607 1.762 -6.113 12.909 175 HG2 PRO 607 2HG PRO 607 -0.079 -7.913 12.267 176 HG3 PRO 607 1HG PRO 607 -0.298 -6.849 13.667 177 HD2 PRO 607 2HD PRO 607 -1.514 -6.664 10.935 178 HD3 PRO 607 1HD PRO 607 -2.269 -6.408 12.523 179 H LEU 608 H LEU 608 -0.556 -4.522 9.717 180 HA LEU 608 HA LEU 608 1.811 -3.739 8.312 181 HB2 LEU 608 2HB LEU 608 -1.025 -4.190 7.489 182 HB3 LEU 608 1HB LEU 608 0.156 -3.553 6.337 183 HG LEU 608 HG LEU 608 1.453 -5.701 6.742 184 HD13 LEU 608 1HD LEU 608 0.484 -6.355 8.852 185 HD21 LEU 608 2HD LEU 608 0.017 -7.036 5.278 186 H THR 609 H THR 609 -0.705 -2.134 9.892 187 HA THR 609 HA THR 609 -0.512 0.376 8.471 188 HB THR 609 HB THR 609 -1.505 -0.163 11.273 189 HG1 THR 609 1HG THR 609 -3.036 -0.250 8.892 190 HG21 THR 609 2HG THR 609 -2.289 1.859 9.184 191 H LYS 610 H LYS 610 0.964 1.845 8.713 192 HA LYS 610 HA LYS 610 2.575 1.798 11.167 193 HB2 LYS 610 2HB LYS 610 3.611 2.150 8.365 194 HB3 LYS 610 1HB LYS 610 4.518 2.441 9.829 195 HG2 LYS 610 2HG LYS 610 4.257 0.029 10.395 196 HG3 LYS 610 1HG LYS 610 3.460 -0.194 8.845 197 HD2 LYS 610 2HD LYS 610 5.418 0.582 7.668 198 HD3 LYS 610 1HD LYS 610 6.241 0.913 9.189 199 HE2 LYS 610 2HE LYS 610 6.213 -1.470 9.726 200 HE3 LYS 610 1HE LYS 610 5.331 -1.804 8.238 201 HZ1 LYS 610 3HZ LYS 610 7.688 -2.248 7.963 202 HZ2 LYS 610 1HZ LYS 610 8.065 -0.679 8.425 203 HZ3 LYS 610 2HZ LYS 610 7.255 -0.937 6.985 204 H LYS 611 H LYS 611 3.046 3.795 11.999 205 HA LYS 611 HA LYS 611 1.909 6.174 10.868 206 HB2 LYS 611 2HB LYS 611 3.927 5.733 13.084 207 HB3 LYS 611 1HB LYS 611 3.533 7.323 12.507 208 HG2 LYS 611 2HG LYS 611 2.411 6.915 14.552 209 HG3 LYS 611 1HG LYS 611 1.235 7.011 13.245 210 HD2 LYS 611 2HD LYS 611 2.207 4.371 14.335 211 HD3 LYS 611 1HD LYS 611 0.918 5.251 15.137 212 HE2 LYS 611 2HE LYS 611 -0.387 5.172 13.019 213 HE3 LYS 611 1HE LYS 611 0.902 4.206 12.302 214 HZ1 LYS 611 3HZ LYS 611 -0.923 2.819 13.159 215 HZ2 LYS 611 1HZ LYS 611 -0.691 3.440 14.687 216 HZ3 LYS 611 2HZ LYS 611 0.513 2.499 13.985 217 H ASP 612 H ASP 612 4.829 4.511 10.850 218 HA ASP 612 HA ASP 612 6.702 6.299 9.732 219 HB2 ASP 612 2HB ASP 612 6.537 3.313 9.267 220 HB3 ASP 612 1HB ASP 612 7.941 4.317 8.960 221 H ALA 613 H ALA 613 4.239 4.315 8.285 222 HA ALA 613 HA ALA 613 3.274 4.193 6.273 223 HB1 ALA 613 1HB ALA 613 3.250 6.645 6.334 224 HB2 ALA 613 2HB ALA 613 3.446 6.024 4.694 225 HB3 ALA 613 3HB ALA 613 4.838 6.670 5.570 226 H TYR 614 H TYR 614 3.648 3.646 4.027 227 HA TYR 614 HA TYR 614 6.317 2.506 3.658 228 HB2 TYR 614 2HB TYR 614 3.635 1.788 2.466 229 HB3 TYR 614 1HB TYR 614 5.163 1.048 2.016 230 HD1 TYR 614 2HD TYR 614 2.947 1.579 5.073 231 HD2 TYR 614 1HD TYR 614 5.834 -0.900 3.088 232 HE1 TYR 614 2HE TYR 614 2.651 -0.092 6.726 233 HE2 TYR 614 1HE TYR 614 5.506 -2.606 4.802 234 HH TYR 614 HH TYR 614 2.902 -2.409 6.993 235 H LYS 615 H LYS 615 7.538 3.415 2.105 236 HA LYS 615 HA LYS 615 6.167 5.076 0.122 237 HB2 LYS 615 2HB LYS 615 7.759 6.369 1.413 238 HB3 LYS 615 1HB LYS 615 9.076 5.305 1.092 239 HG2 LYS 615 2HG LYS 615 8.475 5.825 -1.383 240 HG3 LYS 615 1HG LYS 615 7.671 7.236 -0.702 241 HD2 LYS 615 2HD LYS 615 10.543 6.378 -0.323 242 HD3 LYS 615 1HD LYS 615 10.049 7.749 -1.330 243 HE2 LYS 615 2HE LYS 615 9.258 8.848 0.734 244 HE3 LYS 615 1HE LYS 615 9.811 7.454 1.661 245 HZ1 LYS 615 3HZ LYS 615 11.386 9.255 1.729 246 HZ2 LYS 615 1HZ LYS 615 11.528 9.265 0.055 247 HZ3 LYS 615 2HZ LYS 615 12.068 7.933 0.946 248 H VAL 616 H VAL 616 6.308 4.550 -1.906 249 HA VAL 616 HA VAL 616 8.225 2.492 -2.782 250 HB VAL 616 HB VAL 616 5.777 3.524 -4.191 251 HG13 VAL 616 1HG VAL 616 7.418 2.585 -5.711 252 HG21 VAL 616 2HG VAL 616 6.029 0.968 -2.600 253 H GLU 617 H GLU 617 9.655 3.154 -4.327 254 HA GLU 617 HA GLU 617 9.488 5.977 -5.113 255 HB2 GLU 617 2HB GLU 617 11.942 4.301 -4.595 256 HB3 GLU 617 1HB GLU 617 11.975 5.919 -5.279 257 HG2 GLU 617 2HG GLU 617 10.990 6.811 -3.251 258 HG3 GLU 617 1HG GLU 617 10.895 5.189 -2.571 259 H THR 618 H THR 618 9.716 6.517 -7.207 260 HA THR 618 HA THR 618 10.326 4.342 -9.057 261 HB THR 618 HB THR 618 8.808 5.475 -10.694 262 HG1 THR 618 1HG THR 618 8.227 7.133 -8.484 263 HG21 THR 618 2HG THR 618 7.831 3.724 -9.201 264 H ASP 619 H ASP 619 10.595 6.072 -11.289 265 HA ASP 619 HA ASP 619 13.189 7.000 -10.821 266 HB2 ASP 619 2HB ASP 619 12.368 6.283 -13.043 267 HB3 ASP 619 1HB ASP 619 11.356 7.722 -13.107 268 H LYS 620 H LYS 620 10.102 8.762 -11.046 269 HA LYS 620 HA LYS 620 11.516 11.115 -9.919 270 HB2 LYS 620 2HB LYS 620 9.285 11.175 -11.935 271 HB3 LYS 620 1HB LYS 620 10.058 12.583 -11.230 272 HG2 LYS 620 2HG LYS 620 12.119 12.055 -12.391 273 HG3 LYS 620 1HG LYS 620 11.420 10.557 -13.001 274 HD2 LYS 620 2HD LYS 620 10.456 13.354 -13.645 275 HD3 LYS 620 1HD LYS 620 11.379 12.303 -14.718 276 HE2 LYS 620 2HE LYS 620 9.509 10.652 -14.645 277 HE3 LYS 620 1HE LYS 620 8.602 11.770 -13.644 278 HZ1 LYS 620 3HZ LYS 620 9.486 12.292 -16.425 279 HZ2 LYS 620 1HZ LYS 620 8.645 13.368 -15.446 280 HZ3 LYS 620 2HZ LYS 620 7.915 11.926 -15.912 281 H TYR 621 H TYR 621 9.023 8.949 -9.400 282 HA TYR 621 HA TYR 621 7.704 10.922 -7.665 283 HB2 TYR 621 2HB TYR 621 6.452 8.660 -9.242 284 HB3 TYR 621 1HB TYR 621 5.619 9.494 -7.941 285 HD1 TYR 621 1HD TYR 621 7.690 10.659 -10.798 286 HD2 TYR 621 2HD TYR 621 3.958 10.843 -8.828 287 HE1 TYR 621 1HE TYR 621 6.967 12.330 -12.415 288 HE2 TYR 621 2HE TYR 621 3.175 12.526 -10.450 289 HH TYR 621 HH TYR 621 4.281 14.233 -11.924 290 H GLU 622 H GLU 622 6.922 10.170 -5.692 291 HA GLU 622 HA GLU 622 7.716 7.485 -4.966 292 HB2 GLU 622 2HB GLU 622 8.408 8.231 -2.764 293 HB3 GLU 622 1HB GLU 622 9.337 9.123 -3.961 294 HG2 GLU 622 2HG GLU 622 7.751 11.000 -3.693 295 HG3 GLU 622 1HG GLU 622 6.946 10.078 -2.459 296 H PHE 623 H PHE 623 6.270 6.520 -3.711 297 HA PHE 623 HA PHE 623 3.758 7.992 -3.402 298 HB2 PHE 623 2HB PHE 623 4.125 5.036 -3.971 299 HB3 PHE 623 1HB PHE 623 2.581 5.833 -3.729 300 HD1 PHE 623 1HD PHE 623 5.533 5.664 -5.981 301 HD2 PHE 623 2HD PHE 623 1.468 6.879 -5.552 302 HE1 PHE 623 1HE PHE 623 5.413 6.123 -8.380 303 HE2 PHE 623 2HE PHE 623 1.360 7.331 -7.951 304 HZ PHE 623 HZ PHE 623 3.327 6.953 -9.374 305 H HIS 624 H HIS 624 3.148 8.182 -1.295 306 HA HIS 624 HA HIS 624 4.158 6.178 0.611 307 HB2 HIS 624 2HB HIS 624 3.054 8.947 1.117 308 HB3 HIS 624 1HB HIS 624 3.440 7.790 2.374 309 HD1 HIS 624 1HD HIS 624 5.976 7.393 2.894 310 HD2 HIS 624 2HD HIS 624 5.199 10.259 -0.030 311 HE1 HIS 624 1HE HIS 624 8.088 8.528 2.546 312 HE2 HIS 624 2HE HIS 624 7.671 10.051 0.538 313 H ILE 625 H ILE 625 2.790 4.765 1.310 314 HA ILE 625 HA ILE 625 -0.033 5.474 1.455 315 HB ILE 625 HB ILE 625 -0.729 3.319 0.527 316 HG12 ILE 625 1HG ILE 625 2.226 2.810 0.240 317 HG23 ILE 625 2HG ILE 625 -0.487 5.129 -1.085 318 HD11 ILE 625 1HD ILE 625 1.647 0.629 -0.735 319 H ASN 626 H ASN 626 -1.117 4.208 2.946 320 HA ASN 626 HA ASN 626 0.532 2.554 4.738 321 HB2 ASN 626 2HB ASN 626 0.239 4.799 5.753 322 HB3 ASN 626 1HB ASN 626 -1.506 4.632 5.606 323 HD21 ASN 626 2HD ASN 626 -1.404 3.587 8.906 324 H VAL 627 H VAL 627 -0.702 0.874 5.787 325 HA VAL 627 HA VAL 627 -3.061 0.160 4.278 326 HB VAL 627 HB VAL 627 -1.731 -1.344 6.555 327 HG13 VAL 627 1HG VAL 627 -3.238 -3.192 5.936 328 HG21 VAL 627 2HG VAL 627 -1.074 -2.899 4.781 329 H CYS 628 H CYS 628 -4.771 1.200 4.780 330 HA CYS 628 HA CYS 628 -6.664 1.597 5.839 331 HB2 CYS 628 2HB CYS 628 -6.464 -0.501 7.029 332 HB3 CYS 628 1HB CYS 628 -5.333 0.210 8.168 333 H GLY 629 H GLY 629 -7.456 3.283 6.835 334 HA2 GLY 629 2HA GLY 629 -7.602 5.213 8.180 335 HA3 GLY 629 1HA GLY 629 -6.050 4.795 8.881 336 HA PRO 630 HA PRO 630 -4.855 8.069 6.149 337 HB2 PRO 630 2HB PRO 630 -3.783 9.615 7.984 338 HB3 PRO 630 1HB PRO 630 -5.537 9.514 7.757 339 HG2 PRO 630 2HG PRO 630 -3.828 8.252 9.890 340 HG3 PRO 630 1HG PRO 630 -5.492 8.896 10.041 341 HD2 PRO 630 2HD PRO 630 -4.574 6.258 9.688 342 HD3 PRO 630 1HD PRO 630 -6.256 6.828 9.627 343 H VAL 631 H VAL 631 -2.663 8.939 5.806 344 HA VAL 631 HA VAL 631 -0.583 7.123 6.734 345 HB VAL 631 HB VAL 631 -1.007 7.174 4.258 346 HG13 VAL 631 1HG VAL 631 -0.264 8.996 2.890 347 HG21 VAL 631 2HG VAL 631 1.113 6.419 4.939 348 H SER 632 H SER 632 1.046 8.016 7.912 349 HA SER 632 HA SER 632 0.646 10.821 8.466 350 HB2 SER 632 2HB SER 632 0.579 9.341 10.378 351 HB3 SER 632 1HB SER 632 2.225 8.780 10.057 352 HG SER 632 HG SER 632 1.265 11.221 11.009 353 H VAL 633 H VAL 633 1.529 11.383 6.480 354 HA VAL 633 HA VAL 633 4.474 11.562 6.588 355 HB VAL 633 HB VAL 633 2.728 11.902 4.132 356 HG13 VAL 633 1HG VAL 633 4.841 13.102 4.005 357 HG21 VAL 633 2HG VAL 633 3.556 9.729 3.391 358 H GLY 634 H GLY 634 5.327 13.576 6.666 359 HA2 GLY 634 2HA GLY 634 3.478 15.729 7.182 360 HA3 GLY 634 1HA GLY 634 5.228 15.781 7.327 361 H ALA 635 H ALA 635 3.810 14.606 4.444 362 HA ALA 635 HA ALA 635 4.621 17.075 3.045 363 HB1 ALA 635 1HB ALA 635 6.028 15.144 2.477 364 HB2 ALA 635 2HB ALA 635 5.083 15.677 1.085 365 HB3 ALA 635 3HB ALA 635 4.591 14.246 1.989 366 H CYS 636 H CYS 636 2.076 14.947 3.815 367 HA CYS 636 HA CYS 636 0.370 16.212 1.842 368 HB2 CYS 636 2HB CYS 636 -0.734 13.986 1.557 369 HB3 CYS 636 1HB CYS 636 0.916 14.059 0.950 370 HA PRO 637 HA PRO 637 -2.424 16.844 5.180 371 HB2 PRO 637 2HB PRO 637 -4.663 15.560 3.778 372 HB3 PRO 637 1HB PRO 637 -4.491 17.232 4.307 373 HG2 PRO 637 2HG PRO 637 -4.347 16.591 1.701 374 HG3 PRO 637 1HG PRO 637 -3.335 17.867 2.400 375 HD2 PRO 637 2HD PRO 637 -2.624 15.050 1.713 376 HD3 PRO 637 1HD PRO 637 -1.692 16.544 1.467 377 HA PRO 638 HA PRO 638 -2.629 12.996 7.560 378 HB2 PRO 638 2HB PRO 638 -4.585 14.511 9.203 379 HB3 PRO 638 1HB PRO 638 -3.076 13.735 9.691 380 HG2 PRO 638 2HG PRO 638 -3.224 16.382 9.538 381 HG3 PRO 638 1HG PRO 638 -1.772 15.525 8.988 382 HD2 PRO 638 2HD PRO 638 -4.015 16.667 7.364 383 HD3 PRO 638 1HD PRO 638 -2.264 16.745 7.076 384 H ASP 639 H ASP 639 -5.250 14.553 6.049 385 HA ASP 639 HA ASP 639 -7.223 12.560 6.747 386 HB2 ASP 639 2HB ASP 639 -7.354 14.826 4.766 387 HB3 ASP 639 1HB ASP 639 -8.672 13.696 5.038 388 H SER 640 H SER 640 -4.646 12.412 4.749 389 HA SER 640 HA SER 640 -6.113 10.672 2.924 390 HB2 SER 640 2HB SER 640 -4.169 10.910 1.352 391 HB3 SER 640 1HB SER 640 -5.043 12.406 1.636 392 HG SER 640 HG SER 640 -3.146 12.451 3.428 393 H GLY 641 H GLY 641 -5.532 8.610 2.588 394 HA2 GLY 641 2HA GLY 641 -3.673 7.481 4.571 395 HA3 GLY 641 1HA GLY 641 -4.908 6.579 3.701 396 H ALA 642 H ALA 642 -3.810 8.369 1.395 397 HA ALA 642 HA ALA 642 -1.233 7.138 0.838 398 HB1 ALA 642 1HB ALA 642 -2.729 5.450 -0.067 399 HB2 ALA 642 2HB ALA 642 -2.012 6.364 -1.380 400 HB3 ALA 642 3HB ALA 642 -3.673 6.701 -0.911 401 H CYS 643 H CYS 643 0.003 8.600 0.034 402 HA CYS 643 HA CYS 643 -1.181 10.718 -1.549 403 HB2 CYS 643 2HB CYS 643 0.007 12.450 -0.303 404 HB3 CYS 643 1HB CYS 643 -1.146 11.600 0.715 405 H GLN 644 H GLN 644 0.038 11.367 -3.169 406 HA GLN 644 HA GLN 644 2.700 10.165 -3.394 407 HB2 GLN 644 2HB GLN 644 2.468 10.847 -5.706 408 HB3 GLN 644 1HB GLN 644 1.564 9.370 -5.266 409 HG2 GLN 644 2HG GLN 644 -0.463 10.774 -5.175 410 HG3 GLN 644 1HG GLN 644 0.472 12.188 -5.611 411 HE21 GLN 644 2HE GLN 644 0.429 9.474 -8.609 412 H VAL 645 H VAL 645 4.415 11.329 -4.011 413 HA VAL 645 HA VAL 645 4.038 14.090 -4.590 414 HB VAL 645 HB VAL 645 4.479 14.308 -2.244 415 HG13 VAL 645 1HG VAL 645 5.298 12.067 -1.794 416 HG21 VAL 645 2HG VAL 645 6.658 15.452 -2.152 417 H SER 646 H SER 646 5.105 14.692 -6.244 418 HA SER 646 HA SER 646 6.917 12.965 -7.608 419 HB2 SER 646 2HB SER 646 6.220 15.881 -7.994 420 HB3 SER 646 1HB SER 646 7.133 14.881 -9.154 421 HG SER 646 HG SER 646 4.949 15.080 -9.646 422 H ARG 647 H ARG 647 9.039 12.801 -7.063 423 HA ARG 647 HA ARG 647 10.135 14.494 -5.042 424 HB2 ARG 647 2HB ARG 647 12.119 13.107 -5.142 425 HB3 ARG 647 1HB ARG 647 10.704 12.083 -5.297 426 HG2 ARG 647 2HG ARG 647 11.058 12.046 -7.739 427 HG3 ARG 647 1HG ARG 647 12.576 12.909 -7.479 428 HD2 ARG 647 2HD ARG 647 11.820 10.203 -6.378 429 HD3 ARG 647 1HD ARG 647 12.995 10.543 -7.645 430 HE ARG 647 HE ARG 647 14.066 11.919 -5.707 431 HH12 ARG 647 1HH ARG 647 13.525 8.170 -4.189 432 HH21 ARG 647 2HH ARG 647 15.260 9.604 -3.333 433 H SER 648 H SER 648 9.960 14.685 -8.382 434 HA SER 648 HA SER 648 12.309 16.238 -8.826 435 HB2 SER 648 2HB SER 648 11.254 14.799 -10.611 436 HB3 SER 648 1HB SER 648 9.875 15.841 -10.553 437 HG SER 648 HG SER 648 10.809 16.955 -11.957 438 H ASP 649 H ASP 649 8.791 17.093 -8.656 439 HA ASP 649 HA ASP 649 9.613 19.926 -8.495 440 HB2 ASP 649 2HB ASP 649 7.954 19.386 -10.226 441 HB3 ASP 649 1HB ASP 649 6.868 18.773 -8.985 442 H ARG 650 H ARG 650 8.426 17.455 -6.598 443 HA ARG 650 HA ARG 650 7.638 17.206 -4.537 444 HB2 ARG 650 2HB ARG 650 8.575 20.043 -4.176 445 HB3 ARG 650 1HB ARG 650 7.651 19.253 -2.912 446 HG2 ARG 650 2HG ARG 650 10.011 19.101 -2.422 447 HG3 ARG 650 1HG ARG 650 9.367 17.502 -2.769 448 HD2 ARG 650 2HD ARG 650 11.536 17.783 -3.786 449 HD3 ARG 650 1HD ARG 650 10.303 17.647 -5.040 450 HE ARG 650 HE ARG 650 10.596 20.320 -4.643 451 HH12 ARG 650 1HH ARG 650 13.884 18.654 -6.328 452 HH21 ARG 650 2HH ARG 650 13.457 20.970 -6.603 453 H LYS 651 H LYS 651 6.017 18.060 -6.755 454 HA LYS 651 HA LYS 651 3.631 19.285 -5.690 455 HB2 LYS 651 2HB LYS 651 4.084 17.361 -7.990 456 HB3 LYS 651 1HB LYS 651 2.538 18.072 -7.616 457 HG2 LYS 651 2HG LYS 651 4.857 19.831 -8.211 458 HG3 LYS 651 1HG LYS 651 4.072 18.988 -9.534 459 HD2 LYS 651 2HD LYS 651 3.074 21.168 -9.378 460 HD3 LYS 651 1HD LYS 651 1.894 20.034 -8.745 461 HE2 LYS 651 2HE LYS 651 1.939 21.985 -7.384 462 HE3 LYS 651 1HE LYS 651 2.623 20.676 -6.444 463 HZ1 LYS 651 3HZ LYS 651 4.002 22.577 -6.163 464 HZ2 LYS 651 1HZ LYS 651 4.032 22.884 -7.810 465 HZ3 LYS 651 2HZ LYS 651 4.886 21.577 -7.218 466 H SER 652 H SER 652 2.021 18.184 -4.499 467 HA SER 652 HA SER 652 2.301 15.273 -4.421 468 HB2 SER 652 2HB SER 652 1.494 16.857 -1.979 469 HB3 SER 652 1HB SER 652 1.983 15.153 -2.209 470 HG SER 652 HG SER 652 3.881 16.664 -3.140 471 H TRP 653 H TRP 653 0.396 14.143 -4.122 472 HA TRP 653 HA TRP 653 -2.074 15.696 -4.390 473 HB2 TRP 653 2HB TRP 653 -1.335 13.294 -6.074 474 HB3 TRP 653 1HB TRP 653 -2.873 14.143 -6.118 475 HD1 TRP 653 HD TRP 653 -2.887 16.588 -7.271 476 HE1 TRP 653 1HE TRP 653 -1.290 17.654 -8.999 477 HE3 TRP 653 3HE TRP 653 1.147 13.419 -6.820 478 HZ2 TRP 653 2HZ TRP 653 1.293 17.196 -10.026 479 HZ3 TRP 653 3HZ TRP 653 3.059 13.792 -8.154 480 HH2 TRP 653 HH TRP 653 3.165 15.655 -9.757 481 H ASN 654 H ASN 654 -3.981 14.433 -3.898 482 HA ASN 654 HA ASN 654 -3.526 12.615 -1.642 483 HB2 ASN 654 2HB ASN 654 -5.120 14.736 -1.579 484 HB3 ASN 654 1HB ASN 654 -6.070 13.807 -2.664 485 HD21 ASN 654 2HD ASN 654 -7.156 13.430 0.887 486 H LEU 655 H LEU 655 -3.808 10.449 -2.015 487 HA LEU 655 HA LEU 655 -5.161 9.674 -4.504 488 HB2 LEU 655 2HB LEU 655 -3.144 8.178 -2.862 489 HB3 LEU 655 1HB LEU 655 -3.868 7.629 -4.357 490 HG LEU 655 HG LEU 655 -1.968 9.911 -3.985 491 HD13 LEU 655 1HD LEU 655 -1.736 7.280 -5.434 492 HD21 LEU 655 2HD LEU 655 -3.403 8.991 -6.479 493 H GLY 656 H GLY 656 -6.229 10.188 -1.722 494 HA2 GLY 656 2HA GLY 656 -8.423 8.853 -1.616 495 HA3 GLY 656 1HA GLY 656 -7.334 7.537 -1.205 496 H ARG 657 H ARG 657 -9.363 9.659 0.066 497 HA ARG 657 HA ARG 657 -7.871 10.546 2.246 498 HB2 ARG 657 2HB ARG 657 -10.863 10.339 1.828 499 HB3 ARG 657 1HB ARG 657 -10.125 11.042 3.254 500 HG2 ARG 657 2HG ARG 657 -9.031 12.748 1.828 501 HG3 ARG 657 1HG ARG 657 -9.819 12.026 0.425 502 HD2 ARG 657 2HD ARG 657 -11.285 13.169 2.793 503 HD3 ARG 657 1HD ARG 657 -10.984 14.050 1.303 504 HE ARG 657 HE ARG 657 -12.325 12.298 0.163 505 HH12 ARG 657 1HH ARG 657 -14.444 12.333 3.604 506 HH21 ARG 657 2HH ARG 657 -15.389 11.493 1.603 507 H SER 658 H SER 658 -8.580 9.954 4.525 508 HA SER 658 HA SER 658 -7.625 7.438 5.085 509 HB2 SER 658 2HB SER 658 -8.523 7.922 7.369 510 HB3 SER 658 1HB SER 658 -7.477 9.181 6.691 511 HG SER 658 HG SER 658 -10.295 9.158 6.523 512 H ASN 659 H ASN 659 -8.496 5.513 4.930 513 HA ASN 659 HA ASN 659 -11.325 5.100 5.443 514 HB2 ASN 659 2HB ASN 659 -10.979 5.554 3.003 515 HB3 ASN 659 1HB ASN 659 -9.954 4.131 2.949 516 HD21 ASN 659 2HD ASN 659 -12.792 2.424 1.959 517 H ALA 660 H ALA 660 -11.689 2.928 6.068 518 HA ALA 660 HA ALA 660 -9.182 1.484 6.561 519 HB1 ALA 660 1HB ALA 660 -10.042 0.708 8.614 520 HB2 ALA 660 2HB ALA 660 -11.616 1.489 8.343 521 HB3 ALA 660 3HB ALA 660 -10.148 2.459 8.566 522 H LYS 661 H LYS 661 -11.669 1.387 4.609 523 HA LYS 661 HA LYS 661 -12.800 -1.188 5.084 524 HB2 LYS 661 2HB LYS 661 -12.835 0.284 2.447 525 HB3 LYS 661 1HB LYS 661 -13.911 -0.979 3.004 526 HG2 LYS 661 2HG LYS 661 -13.782 1.817 4.015 527 HG3 LYS 661 1HG LYS 661 -15.030 1.089 3.009 528 HD2 LYS 661 2HD LYS 661 -15.428 -0.529 4.892 529 HD3 LYS 661 1HD LYS 661 -14.352 0.496 5.858 530 HE2 LYS 661 2HE LYS 661 -16.868 1.286 4.485 531 HE3 LYS 661 1HE LYS 661 -16.639 1.158 6.239 532 HZ1 LYS 661 3HZ LYS 661 -16.506 3.482 5.572 533 HZ2 LYS 661 1HZ LYS 661 -15.381 3.139 4.392 534 HZ3 LYS 661 2HZ LYS 661 -14.956 3.005 6.000 535 H LEU 662 H LEU 662 -11.441 -2.869 5.007 536 HA LEU 662 HA LEU 662 -9.618 -3.138 2.771 537 HB2 LEU 662 2HB LEU 662 -10.399 -5.046 4.937 538 HB3 LEU 662 1HB LEU 662 -9.164 -5.412 3.737 539 HG LEU 662 HG LEU 662 -9.095 -3.492 6.054 540 HD13 LEU 662 1HD LEU 662 -7.165 -4.838 6.711 541 HD21 LEU 662 2HD LEU 662 -7.114 -3.744 3.790 542 H SER 663 H SER 663 -9.982 -4.596 1.063 543 HA SER 663 HA SER 663 -12.704 -5.646 0.966 544 HB2 SER 663 2HB SER 663 -10.978 -4.629 -1.305 545 HB3 SER 663 1HB SER 663 -12.639 -5.218 -1.439 546 HG SER 663 HG SER 663 -12.290 -3.307 0.454 547 H TYR 664 H TYR 664 -12.784 -7.781 0.694 548 HA TYR 664 HA TYR 664 -10.266 -9.057 -0.019 549 HB2 TYR 664 2HB TYR 664 -10.962 -9.483 2.304 550 HB3 TYR 664 1HB TYR 664 -12.498 -10.118 1.736 551 HD1 TYR 664 2HD TYR 664 -9.355 -10.956 -0.017 552 HD2 TYR 664 1HD TYR 664 -12.157 -12.195 2.947 553 HE1 TYR 664 2HE TYR 664 -8.352 -13.189 -0.009 554 HE2 TYR 664 1HE TYR 664 -11.167 -14.441 2.938 555 HH TYR 664 HH TYR 664 -9.873 -15.844 1.469 556 H TYR 665 H TYR 665 -10.255 -9.965 -1.846 557 HA TYR 665 HA TYR 665 -12.728 -10.705 -3.236 558 HB2 TYR 665 2HB TYR 665 -11.174 -9.096 -4.356 559 HB3 TYR 665 1HB TYR 665 -9.886 -10.288 -4.212 560 HD1 TYR 665 1HD TYR 665 -13.365 -10.055 -5.455 561 HD2 TYR 665 2HD TYR 665 -9.469 -11.604 -6.076 562 HE1 TYR 665 1HE TYR 665 -14.118 -11.021 -7.503 563 HE2 TYR 665 2HE TYR 665 -10.209 -12.612 -8.194 564 HH TYR 665 HH TYR 665 -12.296 -13.347 -9.206 565 H ASP 666 H ASP 666 -12.938 -12.860 -3.795 566 HA ASP 666 HA ASP 666 -11.662 -14.711 -2.167 567 HB2 ASP 666 2HB ASP 666 -13.743 -15.210 -3.423 568 HB3 ASP 666 1HB ASP 666 -12.822 -15.225 -4.923 569 H GLY 667 H GLY 667 -9.650 -15.330 -2.097 570 HA2 GLY 667 2HA GLY 667 -7.704 -16.248 -3.198 571 HA3 GLY 667 1HA GLY 667 -7.998 -15.124 -4.525 572 H MET 668 H MET 668 -8.034 -12.671 -3.688 573 HA MET 668 HA MET 668 -5.749 -12.365 -1.860 574 HB2 MET 668 2HB MET 668 -6.028 -10.821 -4.453 575 HB3 MET 668 1HB MET 668 -4.786 -10.612 -3.234 576 HG2 MET 668 2HG MET 668 -3.811 -11.806 -5.045 577 HG3 MET 668 1HG MET 668 -4.029 -12.958 -3.731 578 HE1 MET 668 3HE MET 668 -3.401 -13.825 -6.725 579 HE2 MET 668 1HE MET 668 -4.530 -15.161 -6.942 580 HE3 MET 668 2HE MET 668 -3.653 -14.990 -5.425 581 H ILE 669 H ILE 669 -5.441 -10.166 -1.092 582 HA ILE 669 HA ILE 669 -8.025 -8.969 -0.451 583 HB ILE 669 HB ILE 669 -5.318 -8.575 0.899 584 HG12 ILE 669 1HG ILE 669 -7.725 -10.196 1.782 585 HG23 ILE 669 2HG ILE 669 -8.073 -7.668 1.760 586 HD11 ILE 669 1HD ILE 669 -6.587 -9.265 3.714 587 H GLN 670 H GLN 670 -8.469 -6.857 -0.912 588 HA GLN 670 HA GLN 670 -6.402 -5.250 -2.209 589 HB2 GLN 670 2HB GLN 670 -9.313 -5.534 -3.034 590 HB3 GLN 670 1HB GLN 670 -8.253 -4.265 -3.624 591 HG2 GLN 670 2HG GLN 670 -6.843 -5.868 -4.730 592 HG3 GLN 670 1HG GLN 670 -7.765 -7.228 -4.053 593 HE21 GLN 670 2HE GLN 670 -10.308 -6.979 -6.459 594 H LEU 671 H LEU 671 -6.550 -3.036 -1.697 595 HA LEU 671 HA LEU 671 -8.446 -2.439 0.504 596 HB2 LEU 671 2HB LEU 671 -5.899 -2.569 1.002 597 HB3 LEU 671 1HB LEU 671 -5.783 -1.052 0.129 598 HG LEU 671 HG LEU 671 -7.176 -1.635 2.722 599 HD13 LEU 671 1HD LEU 671 -4.829 0.108 2.106 600 HD21 LEU 671 2HD LEU 671 -8.546 -0.015 1.544 601 H THR 672 H THR 672 -9.828 -0.847 0.010 602 HA THR 672 HA THR 672 -9.333 0.692 -2.432 603 HB THR 672 HB THR 672 -11.938 0.204 -0.964 604 HG1 THR 672 1HG THR 672 -11.904 -1.690 -1.822 605 HG21 THR 672 2HG THR 672 -11.344 1.154 -3.779 606 H TYR 673 H TYR 673 -9.017 2.888 -2.158 607 HA TYR 673 HA TYR 673 -9.821 3.979 0.410 608 HB2 TYR 673 2HB TYR 673 -7.648 4.730 -1.423 609 HB3 TYR 673 1HB TYR 673 -8.309 5.981 -0.354 610 HD1 TYR 673 1HD TYR 673 -8.410 5.430 2.099 611 HD2 TYR 673 2HD TYR 673 -5.996 3.237 -0.618 612 HE1 TYR 673 1HE TYR 673 -7.099 4.597 3.972 613 HE2 TYR 673 2HE TYR 673 -4.662 2.380 1.277 614 HH TYR 673 HH TYR 673 -4.161 3.063 3.704 615 H ARG 674 H ARG 674 -10.159 6.421 0.286 616 HA ARG 674 HA ARG 674 -12.656 6.700 -1.095 617 HB2 ARG 674 2HB ARG 674 -11.167 8.616 0.692 618 HB3 ARG 674 1HB ARG 674 -12.801 8.866 0.090 619 HG2 ARG 674 2HG ARG 674 -11.889 6.610 1.806 620 HG3 ARG 674 1HG ARG 674 -12.748 8.034 2.418 621 HD2 ARG 674 2HD ARG 674 -13.803 5.987 0.437 622 HD3 ARG 674 1HD ARG 674 -14.280 6.128 2.126 623 HE ARG 674 HE ARG 674 -14.994 8.469 1.437 624 HH12 ARG 674 1HH ARG 674 -16.586 6.239 -1.567 625 HH21 ARG 674 2HH ARG 674 -17.460 8.385 -1.043 626 H ASP 675 H ASP 675 -13.052 9.056 -1.866 627 HA ASP 675 HA ASP 675 -12.154 9.339 -4.420 628 HB2 ASP 675 2HB ASP 675 -13.027 11.736 -4.110 629 HB3 ASP 675 1HB ASP 675 -14.136 10.398 -3.804 630 H GLY 676 H GLY 676 -10.920 11.016 -1.613 631 HA2 GLY 676 2HA GLY 676 -8.736 11.880 -1.187 632 HA3 GLY 676 1HA GLY 676 -8.266 11.201 -2.730 633 H THR 677 H THR 677 -7.804 12.540 -4.269 634 HA THR 677 HA THR 677 -9.125 15.085 -4.382 635 HB THR 677 HB THR 677 -6.142 14.646 -4.441 636 HG1 THR 677 1HG THR 677 -7.966 15.708 -2.775 637 HG21 THR 677 2HG THR 677 -6.661 16.051 -6.401 638 HA PRO 678 HA PRO 678 -9.616 13.428 -8.490 639 HB2 PRO 678 2HB PRO 678 -11.055 15.284 -9.625 640 HB3 PRO 678 1HB PRO 678 -11.684 14.390 -8.266 641 HG2 PRO 678 2HG PRO 678 -10.384 17.092 -8.153 642 HG3 PRO 678 1HG PRO 678 -11.954 16.604 -7.476 643 HD2 PRO 678 2HD PRO 678 -9.726 16.645 -5.937 644 HD3 PRO 678 1HD PRO 678 -10.991 15.404 -5.761 645 H TYR 679 H TYR 679 -8.907 13.636 -10.524 646 HA TYR 679 HA TYR 679 -6.437 14.923 -11.095 647 HB2 TYR 679 2HB TYR 679 -8.552 14.224 -13.168 648 HB3 TYR 679 1HB TYR 679 -6.869 14.609 -13.428 649 HD1 TYR 679 1HD TYR 679 -9.021 12.066 -11.802 650 HD2 TYR 679 2HD TYR 679 -5.360 12.959 -13.735 651 HE1 TYR 679 1HE TYR 679 -8.530 9.675 -11.951 652 HE2 TYR 679 2HE TYR 679 -4.841 10.571 -13.878 653 HH TYR 679 HH TYR 679 -5.448 8.474 -12.858 654 H ASN 680 H ASN 680 -6.018 16.873 -12.094 655 HA ASN 680 HA ASN 680 -8.224 18.691 -12.216 656 HB2 ASN 680 2HB ASN 680 -6.680 20.503 -12.867 657 HB3 ASN 680 1HB ASN 680 -6.058 19.648 -11.484 658 HD21 ASN 680 2HD ASN 680 -3.489 18.159 -13.848 659 H ASN 681 H ASN 681 -9.558 17.730 -13.591 660 HA ASN 681 HA ASN 681 -9.007 18.255 -16.375 661 HB2 ASN 681 2HB ASN 681 -9.846 16.063 -17.134 662 HB3 ASN 681 1HB ASN 681 -8.431 15.866 -16.129 663 HD21 ASN 681 2HD ASN 681 -10.306 13.231 -14.740 664 H GLU 682 H GLU 682 -11.290 17.485 -17.541 665 HA GLU 682 HA GLU 682 -13.040 19.543 -16.718 666 HB2 GLU 682 2HB GLU 682 -12.767 18.835 -19.047 667 HB3 GLU 682 1HB GLU 682 -13.480 17.282 -18.657 668 HG2 GLU 682 2HG GLU 682 -15.575 18.425 -18.062 669 HG3 GLU 682 1HG GLU 682 -14.853 19.953 -18.563 670 H LYS 683 H LYS 683 -13.031 16.097 -16.166 671 HA LYS 683 HA LYS 683 -15.799 15.949 -15.340 672 HB2 LYS 683 2HB LYS 683 -13.600 13.937 -15.047 673 HB3 LYS 683 1HB LYS 683 -15.317 13.645 -14.844 674 HG2 LYS 683 2HG LYS 683 -15.683 14.140 -17.196 675 HG3 LYS 683 1HG LYS 683 -13.949 14.433 -17.404 676 HD2 LYS 683 2HD LYS 683 -13.532 12.152 -16.574 677 HD3 LYS 683 1HD LYS 683 -15.280 11.913 -16.531 678 HE2 LYS 683 2HE LYS 683 -15.426 12.238 -18.937 679 HE3 LYS 683 1HE LYS 683 -13.699 12.584 -19.016 680 HZ1 LYS 683 3HZ LYS 683 -14.153 10.290 -19.676 681 HZ2 LYS 683 1HZ LYS 683 -14.926 9.992 -18.237 682 HZ3 LYS 683 2HZ LYS 683 -13.272 10.310 -18.246 683 H ARG 684 H ARG 684 -12.696 16.329 -13.831 684 HA ARG 684 HA ARG 684 -11.892 16.222 -11.794 685 HB2 ARG 684 2HB ARG 684 -14.673 17.122 -10.967 686 HB3 ARG 684 1HB ARG 684 -13.396 16.852 -9.795 687 HG2 ARG 684 2HG ARG 684 -13.525 19.199 -10.252 688 HG3 ARG 684 1HG ARG 684 -12.042 18.574 -10.955 689 HD2 ARG 684 2HD ARG 684 -13.180 18.491 -13.156 690 HD3 ARG 684 1HD ARG 684 -14.599 19.226 -12.408 691 HE ARG 684 HE ARG 684 -12.292 20.743 -11.878 692 HH12 ARG 684 1HH ARG 684 -14.286 21.549 -15.296 693 HH21 ARG 684 2HH ARG 684 -12.679 23.086 -14.443 694 H THR 685 H THR 685 -11.626 14.127 -12.381 695 HA THR 685 HA THR 685 -13.317 12.089 -11.240 696 HB THR 685 HB THR 685 -10.723 11.919 -12.779 697 HG1 THR 685 1HG THR 685 -13.353 11.479 -13.731 698 HG21 THR 685 2HG THR 685 -11.182 9.972 -11.453 699 HA PRO 686 HA PRO 686 -10.772 12.215 -7.466 700 HB2 PRO 686 2HB PRO 686 -11.806 9.934 -6.348 701 HB3 PRO 686 1HB PRO 686 -12.562 11.509 -6.233 702 HG2 PRO 686 2HG PRO 686 -13.167 9.285 -8.133 703 HG3 PRO 686 1HG PRO 686 -14.294 10.330 -7.242 704 HD2 PRO 686 2HD PRO 686 -13.766 10.734 -9.823 705 HD3 PRO 686 1HD PRO 686 -13.998 12.105 -8.715 706 H ARG 687 H ARG 687 -8.806 11.396 -7.075 707 HA ARG 687 HA ARG 687 -7.928 9.087 -8.644 708 HB2 ARG 687 2HB ARG 687 -6.245 11.085 -7.089 709 HB3 ARG 687 1HB ARG 687 -5.688 9.965 -8.329 710 HG2 ARG 687 2HG ARG 687 -6.893 11.170 -10.036 711 HG3 ARG 687 1HG ARG 687 -7.604 12.231 -8.827 712 HD2 ARG 687 2HD ARG 687 -5.896 13.499 -9.771 713 HD3 ARG 687 1HD ARG 687 -5.205 12.903 -8.272 714 HE ARG 687 HE ARG 687 -4.592 11.203 -10.468 715 HH12 ARG 687 1HH ARG 687 -2.131 14.300 -9.634 716 HH21 ARG 687 2HH ARG 687 -1.395 12.558 -11.011 717 H ALA 688 H ALA 688 -7.764 7.233 -7.562 718 HA ALA 688 HA ALA 688 -7.574 7.344 -4.621 719 HB1 ALA 688 1HB ALA 688 -9.412 5.558 -6.204 720 HB2 ALA 688 2HB ALA 688 -9.904 6.973 -5.274 721 HB3 ALA 688 3HB ALA 688 -9.224 5.568 -4.450 722 H THR 689 H THR 689 -7.048 5.214 -3.695 723 HA THR 689 HA THR 689 -5.053 3.856 -5.363 724 HB THR 689 HB THR 689 -5.062 4.295 -2.369 725 HG1 THR 689 1HG THR 689 -4.654 6.150 -3.545 726 HG21 THR 689 2HG THR 689 -2.764 3.426 -2.460 727 H LEU 690 H LEU 690 -5.173 1.685 -5.555 728 HA LEU 690 HA LEU 690 -6.891 0.191 -3.743 729 HB2 LEU 690 2HB LEU 690 -7.865 0.540 -6.060 730 HB3 LEU 690 1HB LEU 690 -6.470 -0.278 -6.718 731 HG LEU 690 HG LEU 690 -8.453 -1.713 -6.699 732 HD13 LEU 690 1HD LEU 690 -6.311 -2.812 -6.476 733 HD21 LEU 690 2HD LEU 690 -9.424 -2.489 -4.615 734 H ILE 691 H ILE 691 -5.569 -1.080 -2.649 735 HA ILE 691 HA ILE 691 -2.939 -1.760 -3.806 736 HB ILE 691 HB ILE 691 -3.895 -2.046 -0.938 737 HG12 ILE 691 1HG ILE 691 -2.094 0.067 -2.139 738 HG23 ILE 691 2HG ILE 691 -1.547 -2.369 -0.411 739 HD11 ILE 691 1HD ILE 691 -2.303 1.220 -0.010 740 H THR 692 H THR 692 -2.574 -3.899 -4.468 741 HA THR 692 HA THR 692 -4.606 -5.837 -3.707 742 HB THR 692 HB THR 692 -2.598 -5.896 -5.920 743 HG1 THR 692 1HG THR 692 -5.155 -4.749 -5.683 744 HG21 THR 692 2HG THR 692 -5.162 -7.454 -5.492 745 H PHE 693 H PHE 693 -3.932 -7.228 -2.247 746 HA PHE 693 HA PHE 693 -1.117 -7.441 -1.545 747 HB2 PHE 693 2HB PHE 693 -3.614 -8.429 -0.239 748 HB3 PHE 693 1HB PHE 693 -2.002 -8.548 0.456 749 HD1 PHE 693 1HD PHE 693 -4.477 -6.035 -0.736 750 HD2 PHE 693 2HD PHE 693 -1.187 -6.809 1.834 751 HE1 PHE 693 1HE PHE 693 -4.783 -3.876 0.294 752 HE2 PHE 693 2HE PHE 693 -1.485 -4.626 2.878 753 HZ PHE 693 HZ PHE 693 -3.288 -3.148 2.117 754 H LEU 694 H LEU 694 0.001 -9.154 -2.062 755 HA LEU 694 HA LEU 694 -1.425 -11.511 -3.078 756 HB2 LEU 694 2HB LEU 694 1.352 -10.585 -3.783 757 HB3 LEU 694 1HB LEU 694 0.484 -11.925 -4.496 758 HG LEU 694 HG LEU 694 -0.180 -9.027 -4.742 759 HD13 LEU 694 1HD LEU 694 0.398 -9.319 -7.111 760 HD21 LEU 694 2HD LEU 694 -1.583 -11.402 -5.978 761 H CYS 695 H CYS 695 -0.367 -13.448 -2.734 762 HA CYS 695 HA CYS 695 0.773 -13.681 -0.080 763 HB2 CYS 695 2HB CYS 695 -0.946 -15.239 -0.483 764 HB3 CYS 695 1HB CYS 695 -0.307 -15.733 -2.028 765 H ASP 696 H ASP 696 2.883 -13.810 0.307 766 HA ASP 696 HA ASP 696 4.542 -15.406 -1.462 767 HB2 ASP 696 2HB ASP 696 4.814 -12.961 -2.141 768 HB3 ASP 696 1HB ASP 696 5.526 -12.684 -0.547 769 H ARG 697 H ARG 697 6.282 -16.330 -0.364 770 HA ARG 697 HA ARG 697 5.788 -16.727 2.421 771 HB2 ARG 697 2HB ARG 697 8.128 -17.642 0.754 772 HB3 ARG 697 1HB ARG 697 7.766 -18.151 2.386 773 HG2 ARG 697 2HG ARG 697 5.707 -19.182 1.626 774 HG3 ARG 697 1HG ARG 697 6.044 -18.660 -0.026 775 HD2 ARG 697 2HD ARG 697 6.749 -20.986 0.318 776 HD3 ARG 697 1HD ARG 697 8.129 -19.937 -0.015 777 HE ARG 697 HE ARG 697 7.473 -20.399 2.760 778 HH12 ARG 697 1HH ARG 697 10.729 -22.040 0.978 779 HH21 ARG 697 2HH ARG 697 10.503 -22.060 3.351 780 H ASP 698 H ASP 698 7.941 -14.628 0.622 781 HA ASP 698 HA ASP 698 9.294 -13.938 3.145 782 HB2 ASP 698 2HB ASP 698 10.429 -13.908 0.340 783 HB3 ASP 698 1HB ASP 698 11.220 -13.191 1.735 784 H ALA 699 H ALA 699 8.564 -12.124 3.837 785 HA ALA 699 HA ALA 699 8.713 -9.694 2.421 786 HB1 ALA 699 1HB ALA 699 6.356 -9.167 2.200 787 HB2 ALA 699 2HB ALA 699 5.907 -10.752 2.845 788 HB3 ALA 699 3HB ALA 699 6.722 -10.615 1.284 789 H GLY 700 H GLY 700 6.780 -11.367 4.827 790 HA2 GLY 700 2HA GLY 700 7.049 -11.202 7.147 791 HA3 GLY 700 1HA GLY 700 7.911 -9.677 6.901 792 H VAL 701 H VAL 701 6.862 -7.972 7.477 793 HA VAL 701 HA VAL 701 4.062 -7.913 7.891 794 HB VAL 701 HB VAL 701 5.735 -6.397 8.972 795 HG13 VAL 701 1HG VAL 701 7.128 -5.801 7.127 796 HG21 VAL 701 2HG VAL 701 3.441 -5.022 7.594 797 H GLY 702 H GLY 702 6.169 -7.300 5.272 798 HA2 GLY 702 2HA GLY 702 5.429 -7.750 3.116 799 HA3 GLY 702 1HA GLY 702 3.858 -7.118 3.538 800 H PHE 703 H PHE 703 5.675 -6.538 1.456 801 HA PHE 703 HA PHE 703 6.069 -3.660 1.876 802 HB2 PHE 703 2HB PHE 703 7.983 -3.767 0.264 803 HB3 PHE 703 1HB PHE 703 8.262 -4.662 1.747 804 HD1 PHE 703 2HD PHE 703 7.653 -4.932 -1.869 805 HD2 PHE 703 1HD PHE 703 8.487 -7.072 1.716 806 HE1 PHE 703 2HE PHE 703 8.217 -6.927 -3.190 807 HE2 PHE 703 1HE PHE 703 9.052 -9.068 0.390 808 HZ PHE 703 HZ PHE 703 8.917 -8.996 -2.058 809 HA PRO 704 HA PRO 704 3.524 -3.323 -1.802 810 HB2 PRO 704 2HB PRO 704 3.320 -0.687 -1.884 811 HB3 PRO 704 1HB PRO 704 2.568 -1.610 -0.579 812 HG2 PRO 704 2HG PRO 704 5.088 -0.013 -0.556 813 HG3 PRO 704 1HG PRO 704 3.850 -0.174 0.701 814 HD2 PRO 704 2HD PRO 704 6.264 -1.585 0.653 815 HD3 PRO 704 1HD PRO 704 4.818 -2.023 1.573 816 H GLU 705 H GLU 705 3.770 -2.868 -3.919 817 HA GLU 705 HA GLU 705 6.126 -1.421 -4.873 818 HB2 GLU 705 2HB GLU 705 6.546 -3.842 -5.062 819 HB3 GLU 705 1HB GLU 705 5.018 -4.052 -5.895 820 HG2 GLU 705 2HG GLU 705 6.901 -4.103 -7.432 821 HG3 GLU 705 1HG GLU 705 5.827 -2.742 -7.764 822 H TYR 706 H TYR 706 5.634 -0.139 -6.640 823 HA TYR 706 HA TYR 706 2.780 0.217 -7.094 824 HB2 TYR 706 2HB TYR 706 3.993 2.259 -6.680 825 HB3 TYR 706 1HB TYR 706 5.116 1.935 -7.986 826 HD1 TYR 706 2HD TYR 706 1.360 2.106 -7.602 827 HD2 TYR 706 1HD TYR 706 4.793 3.267 -9.857 828 HE1 TYR 706 2HE TYR 706 -0.057 3.334 -9.105 829 HE2 TYR 706 1HE TYR 706 3.364 4.517 -11.372 830 HH TYR 706 HH TYR 706 0.167 5.259 -10.648 831 H GLN 707 H GLN 707 1.678 -0.317 -8.837 832 HA GLN 707 HA GLN 707 3.146 -1.684 -10.934 833 HB2 GLN 707 2HB GLN 707 0.171 -1.515 -10.400 834 HB3 GLN 707 1HB GLN 707 0.936 -2.504 -11.638 835 HG2 GLN 707 2HG GLN 707 1.380 -2.774 -8.680 836 HG3 GLN 707 1HG GLN 707 0.277 -3.763 -9.635 837 HE21 GLN 707 2HE GLN 707 4.266 -4.432 -9.720 838 H GLU 708 H GLU 708 0.073 -0.239 -11.647 839 HA GLU 708 HA GLU 708 1.159 2.186 -12.733 840 HB2 GLU 708 2HB GLU 708 -0.144 0.133 -14.529 841 HB3 GLU 708 1HB GLU 708 0.083 1.811 -14.950 842 HG2 GLU 708 2HG GLU 708 2.548 1.422 -14.757 843 HG3 GLU 708 1HG GLU 708 2.187 -0.294 -14.549 844 H GLU 709 H GLU 709 -0.300 3.685 -12.453 845 HA GLU 709 HA GLU 709 -3.066 2.983 -12.004 846 HB2 GLU 709 2HB GLU 709 -1.996 4.882 -10.788 847 HB3 GLU 709 1HB GLU 709 -1.735 5.697 -12.310 848 HG2 GLU 709 2HG GLU 709 -4.485 5.038 -11.262 849 HG3 GLU 709 1HG GLU 709 -3.642 6.520 -10.851 850 H ASP 710 H ASP 710 -4.498 2.814 -13.536 851 HA ASP 710 HA ASP 710 -4.185 4.206 -16.086 852 HB2 ASP 710 2HB ASP 710 -3.130 1.972 -16.403 853 HB3 ASP 710 1HB ASP 710 -4.633 1.210 -15.901 854 H ASN 711 H ASN 711 -6.092 2.335 -13.832 855 HA ASN 711 HA ASN 711 -8.601 2.910 -15.220 856 HB2 ASN 711 2HB ASN 711 -9.640 1.383 -13.633 857 HB3 ASN 711 1HB ASN 711 -8.202 0.640 -14.318 858 HD21 ASN 711 2HD ASN 711 -6.532 0.326 -11.250 859 H SER 712 H SER 712 -6.932 4.983 -13.697 860 HA SER 712 HA SER 712 -7.173 6.812 -12.579 861 HB2 SER 712 2HB SER 712 -9.398 7.811 -11.970 862 HB3 SER 712 1HB SER 712 -9.324 7.312 -13.653 863 HG SER 712 HG SER 712 -10.250 5.263 -12.510 864 H THR 713 H THR 713 -7.427 4.004 -11.337 865 HA THR 713 HA THR 713 -7.160 5.042 -8.647 866 HB THR 713 HB THR 713 -8.318 2.358 -9.479 867 HG1 THR 713 1HG THR 713 -9.437 4.806 -9.249 868 HG21 THR 713 2HG THR 713 -7.163 2.304 -7.303 869 H TYR 714 H TYR 714 -5.253 4.590 -7.810 870 HA TYR 714 HA TYR 714 -3.186 3.393 -9.375 871 HB2 TYR 714 2HB TYR 714 -3.241 4.482 -6.562 872 HB3 TYR 714 1HB TYR 714 -1.796 3.835 -7.324 873 HD1 TYR 714 1HD TYR 714 -4.395 6.491 -7.685 874 HD2 TYR 714 2HD TYR 714 -0.462 5.196 -8.635 875 HE1 TYR 714 1HE TYR 714 -3.899 8.691 -8.667 876 HE2 TYR 714 2HE TYR 714 0.033 7.374 -9.612 877 HH TYR 714 HH TYR 714 -1.831 10.086 -9.119 878 H ASN 715 H ASN 715 -2.827 1.287 -9.476 879 HA ASN 715 HA ASN 715 -3.585 -0.358 -7.195 880 HB2 ASN 715 2HB ASN 715 -3.133 -0.863 -10.049 881 HB3 ASN 715 1HB ASN 715 -2.870 -2.229 -8.959 882 HD21 ASN 715 2HD ASN 715 -6.319 -2.799 -8.420 883 H PHE 716 H PHE 716 -2.232 -1.126 -5.921 884 HA PHE 716 HA PHE 716 0.614 -1.161 -6.624 885 HB2 PHE 716 2HB PHE 716 -0.693 -0.801 -3.915 886 HB3 PHE 716 1HB PHE 716 1.006 -1.155 -4.135 887 HD1 PHE 716 1HD PHE 716 -1.607 1.356 -4.950 888 HD2 PHE 716 2HD PHE 716 2.539 0.524 -4.529 889 HE1 PHE 716 1HE PHE 716 -1.098 3.757 -5.178 890 HE2 PHE 716 2HE PHE 716 3.048 2.909 -4.753 891 HZ PHE 716 HZ PHE 716 1.245 4.525 -5.083 892 H ARG 717 H ARG 717 1.805 -2.879 -5.951 893 HA ARG 717 HA ARG 717 0.313 -5.376 -5.578 894 HB2 ARG 717 2HB ARG 717 1.757 -5.217 -7.564 895 HB3 ARG 717 1HB ARG 717 3.106 -4.746 -6.552 896 HG2 ARG 717 2HG ARG 717 3.044 -6.891 -5.458 897 HG3 ARG 717 1HG ARG 717 1.708 -7.402 -6.501 898 HD2 ARG 717 2HD ARG 717 4.481 -6.597 -7.406 899 HD3 ARG 717 1HD ARG 717 3.879 -8.245 -7.295 900 HE ARG 717 HE ARG 717 2.467 -6.393 -9.040 901 HH12 ARG 717 1HH ARG 717 4.595 -9.555 -10.397 902 HH21 ARG 717 2HH ARG 717 3.250 -8.272 -11.868 903 H TRP 718 H TRP 718 0.375 -6.042 -3.465 904 HA TRP 718 HA TRP 718 2.688 -5.165 -1.865 905 HB2 TRP 718 2HB TRP 718 0.392 -4.185 -1.289 906 HB3 TRP 718 1HB TRP 718 -0.080 -5.810 -0.834 907 HD1 TRP 718 HD TRP 718 2.019 -6.843 1.047 908 HE1 TRP 718 1HE TRP 718 2.676 -5.621 3.240 909 HE3 TRP 718 3HE TRP 718 0.363 -2.145 -0.057 910 HZ2 TRP 718 2HZ TRP 718 2.515 -3.081 4.322 911 HZ3 TRP 718 3HZ TRP 718 0.629 -0.384 1.648 912 HH2 TRP 718 HH TRP 718 1.692 -0.851 3.771 913 H TYR 719 H TYR 719 3.959 -6.836 -1.407 914 HA TYR 719 HA TYR 719 2.794 -9.524 -1.327 915 HB2 TYR 719 2HB TYR 719 5.671 -8.609 -1.282 916 HB3 TYR 719 1HB TYR 719 5.170 -10.282 -1.086 917 HD1 TYR 719 2HD TYR 719 4.000 -11.418 -2.966 918 HD2 TYR 719 1HD TYR 719 5.853 -7.627 -3.413 919 HE1 TYR 719 2HE TYR 719 4.030 -11.737 -5.394 920 HE2 TYR 719 1HE TYR 719 5.885 -7.933 -5.848 921 HH TYR 719 HH TYR 719 4.217 -10.580 -7.360 922 H THR 720 H THR 720 1.995 -10.097 0.528 923 HA THR 720 HA THR 720 3.604 -9.625 2.877 924 HB THR 720 HB THR 720 2.033 -7.757 2.956 925 HG1 THR 720 1HG THR 720 2.092 -8.174 5.004 926 HG21 THR 720 2HG THR 720 0.257 -8.657 1.567 927 H SER 721 H SER 721 3.471 -11.176 4.388 928 HA SER 721 HA SER 721 2.473 -13.698 3.595 929 HB2 SER 721 2HB SER 721 4.510 -13.431 4.964 930 HB3 SER 721 1HB SER 721 3.550 -12.730 6.261 931 HG SER 721 HG SER 721 3.940 -15.338 5.557 932 H TYR 722 H TYR 722 1.185 -11.001 5.377 933 HA TYR 722 HA TYR 722 -0.714 -12.402 6.924 934 HB2 TYR 722 2HB TYR 722 -0.504 -9.486 6.162 935 HB3 TYR 722 1HB TYR 722 -1.700 -10.138 7.245 936 HD1 TYR 722 2HD TYR 722 1.997 -9.778 6.858 937 HD2 TYR 722 1HD TYR 722 -1.247 -10.465 9.519 938 HE1 TYR 722 2HE TYR 722 3.522 -9.541 8.787 939 HE2 TYR 722 1HE TYR 722 0.271 -10.225 11.439 940 HH TYR 722 HH TYR 722 2.652 -10.444 11.919 941 H ALA 723 H ALA 723 -0.684 -11.462 3.628 942 HA ALA 723 HA ALA 723 -3.599 -11.505 3.423 943 HB1 ALA 723 1HB ALA 723 -3.258 -10.976 1.073 944 HB2 ALA 723 2HB ALA 723 -1.522 -11.183 1.256 945 HB3 ALA 723 3HB ALA 723 -2.343 -9.865 2.098 946 H CYS 724 H CYS 724 -1.503 -13.806 3.886 947 HA CYS 724 HA CYS 724 -2.641 -15.569 1.858 948 HB2 CYS 724 2HB CYS 724 -0.277 -14.913 1.485 949 HB3 CYS 724 1HB CYS 724 0.127 -15.654 3.022 950 HA PRO 725 HA PRO 725 -3.474 -17.775 5.719 951 HB2 PRO 725 2HB PRO 725 -5.259 -19.550 4.720 952 HB3 PRO 725 1HB PRO 725 -5.678 -17.866 5.021 953 HG2 PRO 725 2HG PRO 725 -5.211 -19.250 2.455 954 HG3 PRO 725 1HG PRO 725 -6.169 -17.804 2.789 955 HD2 PRO 725 2HD PRO 725 -3.523 -17.935 1.712 956 HD3 PRO 725 1HD PRO 725 -4.450 -16.487 2.149 Start of MODEL 5 1 H1 GLU 578 1HT GLU 578 -10.646 1.728 -16.604 2 H2 GLU 578 2HT GLU 578 -10.714 0.052 -16.398 3 H3 GLU 578 3HT GLU 578 -10.745 1.044 -15.057 4 HA GLU 578 HA GLU 578 -12.879 1.893 -15.624 5 HB2 GLU 578 2HB GLU 578 -12.750 -0.143 -17.867 6 HB3 GLU 578 1HB GLU 578 -14.132 0.860 -17.470 7 HG2 GLU 578 2HG GLU 578 -11.477 1.828 -18.534 8 HG3 GLU 578 1HG GLU 578 -12.971 1.675 -19.448 9 H ALA 579 H ALA 579 -13.624 1.016 -13.734 10 HA ALA 579 HA ALA 579 -14.267 -1.805 -13.788 11 HB1 ALA 579 1HB ALA 579 -12.011 -1.739 -12.828 12 HB2 ALA 579 2HB ALA 579 -13.212 -2.318 -11.677 13 HB3 ALA 579 3HB ALA 579 -12.601 -0.671 -11.554 14 H GLU 580 H GLU 580 -16.371 -1.138 -13.824 15 HA GLU 580 HA GLU 580 -17.374 -0.200 -11.230 16 HB2 GLU 580 2HB GLU 580 -18.190 1.032 -13.246 17 HB3 GLU 580 1HB GLU 580 -18.859 -0.469 -13.869 18 HG2 GLU 580 2HG GLU 580 -20.574 0.949 -12.865 19 HG3 GLU 580 1HG GLU 580 -20.403 -0.574 -11.995 20 H ALA 581 H ALA 581 -17.040 -2.776 -13.403 21 HA ALA 581 HA ALA 581 -18.899 -4.543 -12.118 22 HB1 ALA 581 1HB ALA 581 -18.323 -4.827 -14.490 23 HB2 ALA 581 2HB ALA 581 -17.865 -6.250 -13.560 24 HB3 ALA 581 3HB ALA 581 -16.634 -5.087 -14.057 25 H GLU 582 H GLU 582 -18.439 -5.740 -10.380 26 HA GLU 582 HA GLU 582 -15.702 -5.590 -9.329 27 HB2 GLU 582 2HB GLU 582 -16.812 -5.708 -7.079 28 HB3 GLU 582 1HB GLU 582 -17.104 -4.231 -7.990 29 HG2 GLU 582 2HG GLU 582 -19.274 -5.183 -8.717 30 HG3 GLU 582 1HG GLU 582 -18.985 -6.556 -7.654 31 H PHE 583 H PHE 583 -17.578 -7.660 -10.837 32 HA PHE 583 HA PHE 583 -17.652 -9.878 -11.120 33 HB2 PHE 583 2HB PHE 583 -15.159 -9.701 -10.849 34 HB3 PHE 583 1HB PHE 583 -15.349 -9.988 -9.131 35 HD1 PHE 583 1HD PHE 583 -16.350 -11.554 -12.358 36 HD2 PHE 583 2HD PHE 583 -14.931 -12.126 -8.399 37 HE1 PHE 583 1HE PHE 583 -16.192 -13.972 -12.769 38 HE2 PHE 583 2HE PHE 583 -14.769 -14.539 -8.800 39 HZ PHE 583 HZ PHE 583 -15.406 -15.467 -10.994 40 H LEU 584 H LEU 584 -18.903 -8.414 -8.804 41 HA LEU 584 HA LEU 584 -20.515 -8.755 -7.296 42 HB2 LEU 584 2HB LEU 584 -21.447 -10.381 -8.854 43 HB3 LEU 584 1HB LEU 584 -20.426 -11.638 -8.199 44 HG LEU 584 HG LEU 584 -21.651 -11.515 -6.060 45 HD13 LEU 584 1HD LEU 584 -23.387 -9.514 -7.498 46 HD21 LEU 584 2HD LEU 584 -23.426 -11.867 -8.473 47 H SER 585 H SER 585 -17.977 -11.204 -7.003 48 HA SER 585 HA SER 585 -18.391 -11.546 -4.208 49 HB2 SER 585 2HB SER 585 -16.246 -12.852 -4.367 50 HB3 SER 585 1HB SER 585 -17.527 -13.394 -5.455 51 HG SER 585 HG SER 585 -15.473 -11.591 -6.174 52 H ARG 586 H ARG 586 -18.353 -9.288 -3.803 53 HA ARG 586 HA ARG 586 -15.689 -8.195 -3.246 54 HB2 ARG 586 2HB ARG 586 -16.839 -6.918 -5.005 55 HB3 ARG 586 1HB ARG 586 -18.225 -6.706 -3.951 56 HG2 ARG 586 2HG ARG 586 -16.823 -5.407 -2.401 57 HG3 ARG 586 1HG ARG 586 -15.460 -5.594 -3.505 58 HD2 ARG 586 2HD ARG 586 -16.739 -4.485 -5.267 59 HD3 ARG 586 1HD ARG 586 -18.092 -4.283 -4.159 60 HE ARG 586 HE ARG 586 -15.673 -3.159 -3.166 61 HH12 ARG 586 1HH ARG 586 -18.275 -0.877 -5.276 62 HH21 ARG 586 2HH ARG 586 -16.568 0.135 -3.930 63 H THR 587 H THR 587 -15.411 -8.307 -1.116 64 HA THR 587 HA THR 587 -17.765 -7.937 0.596 65 HB THR 587 HB THR 587 -15.185 -9.367 1.148 66 HG1 THR 587 1HG THR 587 -16.158 -11.124 0.567 67 HG21 THR 587 2HG THR 587 -17.801 -9.321 2.663 68 H GLU 588 H GLU 588 -17.723 -6.063 1.744 69 HA GLU 588 HA GLU 588 -15.120 -4.787 2.132 70 HB2 GLU 588 2HB GLU 588 -16.848 -3.411 0.987 71 HB3 GLU 588 1HB GLU 588 -17.914 -3.615 2.365 72 HG2 GLU 588 2HG GLU 588 -16.379 -2.361 3.770 73 HG3 GLU 588 1HG GLU 588 -15.243 -2.226 2.432 74 H GLY 589 H GLY 589 -14.246 -4.948 4.070 75 HA2 GLY 589 2HA GLY 589 -15.826 -6.218 6.155 76 HA3 GLY 589 1HA GLY 589 -14.077 -6.083 6.109 77 H ASP 590 H ASP 590 -13.757 -5.270 8.094 78 HA ASP 590 HA ASP 590 -15.245 -2.883 8.903 79 HB2 ASP 590 2HB ASP 590 -13.546 -4.772 10.561 80 HB3 ASP 590 1HB ASP 590 -14.410 -3.363 11.157 81 H ASN 591 H ASN 591 -13.528 -1.894 10.741 82 HA ASN 591 HA ASN 591 -11.679 -0.522 9.114 83 HB2 ASN 591 2HB ASN 591 -11.053 0.758 11.112 84 HB3 ASN 591 1HB ASN 591 -12.782 0.608 11.022 85 HD21 ASN 591 2HD ASN 591 -10.731 -0.822 14.185 86 H CYS 592 H CYS 592 -10.004 -1.447 8.323 87 HA CYS 592 HA CYS 592 -7.926 -2.189 8.131 88 HB2 CYS 592 2HB CYS 592 -7.765 -0.685 10.224 89 HB3 CYS 592 1HB CYS 592 -7.604 -2.197 11.110 90 H THR 593 H THR 593 -10.333 -3.975 9.243 91 HA THR 593 HA THR 593 -8.745 -6.418 9.267 92 HB THR 593 HB THR 593 -10.482 -7.254 10.986 93 HG1 THR 593 1HG THR 593 -10.756 -4.441 11.378 94 HG21 THR 593 2HG THR 593 -8.134 -6.832 11.608 95 H VAL 594 H VAL 594 -9.805 -8.122 8.151 96 HA VAL 594 HA VAL 594 -12.461 -7.465 7.170 97 HB VAL 594 HB VAL 594 -10.826 -6.943 5.386 98 HG13 VAL 594 1HG VAL 594 -10.183 -9.861 5.419 99 HG21 VAL 594 2HG VAL 594 -13.100 -7.543 4.766 100 H PHE 595 H PHE 595 -13.894 -9.032 7.254 101 HA PHE 595 HA PHE 595 -12.908 -11.755 7.213 102 HB2 PHE 595 2HB PHE 595 -13.654 -11.417 9.517 103 HB3 PHE 595 1HB PHE 595 -15.181 -10.732 8.955 104 HD1 PHE 595 2HD PHE 595 -13.198 -13.803 8.203 105 HD2 PHE 595 1HD PHE 595 -16.980 -12.171 9.258 106 HE1 PHE 595 2HE PHE 595 -14.150 -16.034 8.133 107 HE2 PHE 595 1HE PHE 595 -17.955 -14.435 9.204 108 HZ PHE 595 HZ PHE 595 -16.532 -16.373 8.646 109 H ASP 596 H ASP 596 -13.764 -12.940 5.704 110 HA ASP 596 HA ASP 596 -16.022 -11.753 4.238 111 HB2 ASP 596 2HB ASP 596 -13.736 -12.057 3.088 112 HB3 ASP 596 1HB ASP 596 -14.083 -13.764 3.162 113 H SER 597 H SER 597 -17.831 -12.860 4.339 114 HA SER 597 HA SER 597 -18.001 -15.340 5.691 115 HB2 SER 597 2HB SER 597 -20.411 -15.267 5.058 116 HB3 SER 597 1HB SER 597 -19.850 -13.786 5.833 117 HG SER 597 HG SER 597 -19.674 -12.858 3.738 118 H GLN 598 H GLN 598 -17.609 -14.520 2.252 119 HA GLN 598 HA GLN 598 -18.533 -17.090 1.392 120 HB2 GLN 598 2HB GLN 598 -17.729 -16.472 -0.733 121 HB3 GLN 598 1HB GLN 598 -18.741 -15.133 -0.138 122 HG2 GLN 598 2HG GLN 598 -16.559 -14.035 0.474 123 HG3 GLN 598 1HG GLN 598 -15.741 -15.347 -0.359 124 HE21 GLN 598 2HE GLN 598 -16.184 -12.254 -2.424 125 H ALA 599 H ALA 599 -15.599 -15.639 2.442 126 HA ALA 599 HA ALA 599 -14.062 -17.742 1.193 127 HB1 ALA 599 1HB ALA 599 -12.096 -16.508 1.859 128 HB2 ALA 599 2HB ALA 599 -13.067 -15.444 2.864 129 HB3 ALA 599 3HB ALA 599 -13.258 -15.411 1.102 130 H GLY 600 H GLY 600 -15.319 -16.773 4.265 131 HA2 GLY 600 2HA GLY 600 -15.433 -17.877 6.289 132 HA3 GLY 600 1HA GLY 600 -14.734 -19.278 5.497 133 H PHE 601 H PHE 601 -12.974 -16.330 5.297 134 HA PHE 601 HA PHE 601 -11.264 -17.151 7.510 135 HB2 PHE 601 2HB PHE 601 -10.324 -16.381 4.749 136 HB3 PHE 601 1HB PHE 601 -9.263 -16.431 6.148 137 HD1 PHE 601 2HD PHE 601 -9.077 -18.684 7.368 138 HD2 PHE 601 1HD PHE 601 -10.669 -18.259 3.450 139 HE1 PHE 601 2HE PHE 601 -8.663 -21.068 6.946 140 HE2 PHE 601 1HE PHE 601 -10.258 -20.635 3.018 141 HZ PHE 601 HZ PHE 601 -9.255 -22.049 4.767 142 H SER 602 H SER 602 -10.262 -15.574 8.584 143 HA SER 602 HA SER 602 -11.177 -12.858 8.034 144 HB2 SER 602 2HB SER 602 -10.926 -12.526 10.525 145 HB3 SER 602 1HB SER 602 -12.170 -13.687 10.068 146 HG SER 602 HG SER 602 -9.801 -14.951 10.360 147 H PHE 603 H PHE 603 -9.685 -11.268 7.956 148 HA PHE 603 HA PHE 603 -6.880 -11.992 8.414 149 HB2 PHE 603 2HB PHE 603 -8.039 -10.610 5.985 150 HB3 PHE 603 1HB PHE 603 -6.321 -10.676 6.345 151 HD1 PHE 603 2HD PHE 603 -9.277 -12.659 5.206 152 HD2 PHE 603 1HD PHE 603 -5.085 -12.704 6.076 153 HE1 PHE 603 2HE PHE 603 -9.040 -14.800 4.065 154 HE2 PHE 603 1HE PHE 603 -4.889 -14.852 4.916 155 HZ PHE 603 HZ PHE 603 -6.867 -15.894 3.913 156 H ASP 604 H ASP 604 -5.860 -10.556 9.665 157 HA ASP 604 HA ASP 604 -7.008 -7.863 9.870 158 HB2 ASP 604 2HB ASP 604 -6.048 -7.652 12.113 159 HB3 ASP 604 1HB ASP 604 -7.024 -9.105 12.044 160 H LEU 605 H LEU 605 -5.880 -6.266 9.021 161 HA LEU 605 HA LEU 605 -3.117 -6.815 8.444 162 HB2 LEU 605 2HB LEU 605 -5.113 -5.023 7.077 163 HB3 LEU 605 1HB LEU 605 -3.397 -4.873 6.793 164 HG LEU 605 HG LEU 605 -4.478 -6.098 5.016 165 HD13 LEU 605 1HD LEU 605 -2.666 -7.862 6.661 166 HD21 LEU 605 2HD LEU 605 -6.334 -7.144 6.234 167 H THR 606 H THR 606 -4.333 -5.746 10.945 168 HA THR 606 HA THR 606 -3.702 -3.044 11.202 169 HB THR 606 HB THR 606 -3.845 -3.524 13.716 170 HG1 THR 606 1HG THR 606 -3.508 -5.614 13.976 171 HG21 THR 606 2HG THR 606 -5.731 -2.683 12.409 172 HA PRO 607 HA PRO 607 0.613 -4.494 13.186 173 HB2 PRO 607 2HB PRO 607 1.127 -6.784 11.350 174 HB3 PRO 607 1HB PRO 607 1.539 -6.611 13.058 175 HG2 PRO 607 2HG PRO 607 -0.439 -8.208 12.329 176 HG3 PRO 607 1HG PRO 607 -0.598 -7.186 13.769 177 HD2 PRO 607 2HD PRO 607 -1.742 -6.790 11.028 178 HD3 PRO 607 1HD PRO 607 -2.509 -6.544 12.610 179 H LEU 608 H LEU 608 -0.557 -4.557 10.000 180 HA LEU 608 HA LEU 608 1.889 -4.009 8.617 181 HB2 LEU 608 2HB LEU 608 -0.995 -4.022 7.803 182 HB3 LEU 608 1HB LEU 608 0.292 -3.580 6.682 183 HG LEU 608 HG LEU 608 -0.447 -5.849 6.271 184 HD13 LEU 608 1HD LEU 608 1.873 -5.386 5.933 185 HD21 LEU 608 2HD LEU 608 0.335 -6.479 9.104 186 H THR 609 H THR 609 -0.369 -2.115 10.345 187 HA THR 609 HA THR 609 -0.117 0.312 8.819 188 HB THR 609 HB THR 609 -1.011 -0.062 11.686 189 HG1 THR 609 1HG THR 609 -2.704 -0.016 9.389 190 HG21 THR 609 2HG THR 609 -0.623 2.264 10.966 191 H LYS 610 H LYS 610 1.275 1.918 9.016 192 HA LYS 610 HA LYS 610 3.227 1.868 11.211 193 HB2 LYS 610 2HB LYS 610 3.715 2.244 8.284 194 HB3 LYS 610 1HB LYS 610 4.792 2.862 9.517 195 HG2 LYS 610 2HG LYS 610 5.212 0.565 10.273 196 HG3 LYS 610 1HG LYS 610 4.098 -0.035 9.041 197 HD2 LYS 610 2HD LYS 610 6.465 -0.192 8.324 198 HD3 LYS 610 1HD LYS 610 5.498 0.846 7.274 199 HE2 LYS 610 2HE LYS 610 6.371 2.815 8.443 200 HE3 LYS 610 1HE LYS 610 7.389 1.777 9.451 201 HZ1 LYS 610 3HZ LYS 610 8.573 1.111 7.413 202 HZ2 LYS 610 1HZ LYS 610 8.561 2.798 7.573 203 HZ3 LYS 610 2HZ LYS 610 7.515 2.062 6.502 204 H LYS 611 H LYS 611 3.885 3.883 11.940 205 HA LYS 611 HA LYS 611 2.272 6.145 11.384 206 HB2 LYS 611 2HB LYS 611 3.483 5.690 13.534 207 HB3 LYS 611 1HB LYS 611 4.966 5.966 12.700 208 HG2 LYS 611 2HG LYS 611 4.552 7.949 13.963 209 HG3 LYS 611 1HG LYS 611 4.307 8.339 12.271 210 HD2 LYS 611 2HD LYS 611 2.070 7.763 14.241 211 HD3 LYS 611 1HD LYS 611 2.657 9.375 13.880 212 HE2 LYS 611 2HE LYS 611 1.957 8.997 11.486 213 HE3 LYS 611 1HE LYS 611 1.284 7.455 11.994 214 HZ1 LYS 611 3HZ LYS 611 -0.411 9.109 11.904 215 HZ2 LYS 611 1HZ LYS 611 0.404 10.082 13.012 216 HZ3 LYS 611 2HZ LYS 611 -0.185 8.578 13.479 217 H ASP 612 H ASP 612 5.440 5.088 10.663 218 HA ASP 612 HA ASP 612 6.398 7.260 9.051 219 HB2 ASP 612 2HB ASP 612 7.988 5.812 10.139 220 HB3 ASP 612 1HB ASP 612 7.314 4.393 9.367 221 H ALA 613 H ALA 613 4.433 4.581 8.511 222 HA ALA 613 HA ALA 613 3.260 3.744 6.784 223 HB1 ALA 613 1HB ALA 613 2.562 6.031 6.457 224 HB2 ALA 613 2HB ALA 613 2.756 5.253 4.890 225 HB3 ALA 613 3HB ALA 613 3.986 6.377 5.503 226 H TYR 614 H TYR 614 3.505 3.548 4.139 227 HA TYR 614 HA TYR 614 6.181 2.429 3.790 228 HB2 TYR 614 2HB TYR 614 3.517 1.607 2.631 229 HB3 TYR 614 1HB TYR 614 5.063 0.928 2.132 230 HD1 TYR 614 2HD TYR 614 2.976 1.448 5.172 231 HD2 TYR 614 1HD TYR 614 5.894 -0.965 3.233 232 HE1 TYR 614 2HE TYR 614 2.837 -0.157 6.978 233 HE2 TYR 614 1HE TYR 614 5.766 -2.593 5.032 234 HH TYR 614 HH TYR 614 3.261 -2.426 7.386 235 H LYS 615 H LYS 615 7.348 3.072 1.959 236 HA LYS 615 HA LYS 615 5.951 4.881 0.221 237 HB2 LYS 615 2HB LYS 615 7.266 6.091 1.681 238 HB3 LYS 615 1HB LYS 615 8.620 5.005 1.569 239 HG2 LYS 615 2HG LYS 615 8.781 5.667 -0.826 240 HG3 LYS 615 1HG LYS 615 7.549 6.903 -0.432 241 HD2 LYS 615 2HD LYS 615 8.945 7.976 1.096 242 HD3 LYS 615 1HD LYS 615 10.021 6.586 1.238 243 HE2 LYS 615 2HE LYS 615 10.739 6.838 -0.896 244 HE3 LYS 615 1HE LYS 615 9.645 8.204 -1.224 245 HZ1 LYS 615 3HZ LYS 615 10.848 9.445 0.535 246 HZ2 LYS 615 1HZ LYS 615 11.868 9.048 -0.740 247 HZ3 LYS 615 2HZ LYS 615 11.952 8.169 0.696 248 H VAL 616 H VAL 616 6.206 4.481 -1.811 249 HA VAL 616 HA VAL 616 8.106 2.422 -2.741 250 HB VAL 616 HB VAL 616 5.740 3.583 -4.212 251 HG13 VAL 616 1HG VAL 616 5.917 1.622 -5.636 252 HG21 VAL 616 2HG VAL 616 4.470 1.549 -3.646 253 H GLU 617 H GLU 617 9.577 3.120 -4.295 254 HA GLU 617 HA GLU 617 9.476 6.006 -4.856 255 HB2 GLU 617 2HB GLU 617 11.895 4.228 -4.642 256 HB3 GLU 617 1HB GLU 617 11.910 5.949 -4.997 257 HG2 GLU 617 2HG GLU 617 10.936 6.414 -2.837 258 HG3 GLU 617 1HG GLU 617 10.931 4.690 -2.452 259 H THR 618 H THR 618 9.876 6.725 -6.935 260 HA THR 618 HA THR 618 10.370 4.673 -8.922 261 HB THR 618 HB THR 618 8.804 5.892 -10.455 262 HG1 THR 618 1HG THR 618 8.288 7.412 -8.126 263 HG21 THR 618 2HG THR 618 7.393 5.174 -7.864 264 H ASP 619 H ASP 619 10.634 6.463 -11.056 265 HA ASP 619 HA ASP 619 13.224 7.427 -10.550 266 HB2 ASP 619 2HB ASP 619 11.384 7.954 -12.879 267 HB3 ASP 619 1HB ASP 619 13.028 8.564 -12.796 268 H LYS 620 H LYS 620 10.138 9.115 -10.590 269 HA LYS 620 HA LYS 620 11.593 11.433 -9.471 270 HB2 LYS 620 2HB LYS 620 9.494 11.606 -11.618 271 HB3 LYS 620 1HB LYS 620 10.204 12.992 -10.820 272 HG2 LYS 620 2HG LYS 620 12.402 12.371 -11.770 273 HG3 LYS 620 1HG LYS 620 11.643 11.004 -12.578 274 HD2 LYS 620 2HD LYS 620 10.986 13.918 -13.026 275 HD3 LYS 620 1HD LYS 620 11.935 12.899 -14.108 276 HE2 LYS 620 2HE LYS 620 9.940 11.444 -14.404 277 HE3 LYS 620 1HE LYS 620 9.021 12.551 -13.388 278 HZ1 LYS 620 3HZ LYS 620 10.265 13.204 -16.006 279 HZ2 LYS 620 1HZ LYS 620 9.485 14.316 -14.997 280 HZ3 LYS 620 2HZ LYS 620 8.616 13.065 -15.669 281 H TYR 621 H TYR 621 9.130 9.328 -8.957 282 HA TYR 621 HA TYR 621 7.850 11.276 -7.183 283 HB2 TYR 621 2HB TYR 621 6.490 9.177 -8.900 284 HB3 TYR 621 1HB TYR 621 5.681 10.084 -7.627 285 HD1 TYR 621 1HD TYR 621 7.539 10.525 -10.826 286 HD2 TYR 621 2HD TYR 621 4.689 12.144 -8.133 287 HE1 TYR 621 1HE TYR 621 7.067 12.304 -12.429 288 HE2 TYR 621 2HE TYR 621 4.188 13.934 -9.746 289 HH TYR 621 HH TYR 621 5.173 13.813 -12.950 290 H GLU 622 H GLU 622 6.800 10.260 -5.357 291 HA GLU 622 HA GLU 622 7.614 7.512 -4.894 292 HB2 GLU 622 2HB GLU 622 8.026 7.928 -2.565 293 HB3 GLU 622 1HB GLU 622 9.025 9.059 -3.468 294 HG2 GLU 622 2HG GLU 622 7.479 10.855 -2.995 295 HG3 GLU 622 1HG GLU 622 6.362 9.730 -2.260 296 H PHE 623 H PHE 623 6.077 6.388 -3.862 297 HA PHE 623 HA PHE 623 3.562 7.835 -3.473 298 HB2 PHE 623 2HB PHE 623 4.001 4.899 -4.125 299 HB3 PHE 623 1HB PHE 623 2.441 5.649 -3.843 300 HD1 PHE 623 1HD PHE 623 5.366 5.661 -6.157 301 HD2 PHE 623 2HD PHE 623 1.253 6.662 -5.627 302 HE1 PHE 623 1HE PHE 623 5.174 6.175 -8.538 303 HE2 PHE 623 2HE PHE 623 1.078 7.172 -8.003 304 HZ PHE 623 HZ PHE 623 3.043 6.926 -9.470 305 H HIS 624 H HIS 624 3.087 7.999 -1.369 306 HA HIS 624 HA HIS 624 4.314 6.069 0.454 307 HB2 HIS 624 2HB HIS 624 4.546 8.851 0.355 308 HB3 HIS 624 1HB HIS 624 3.255 8.559 1.504 309 HD1 HIS 624 1HD HIS 624 6.825 8.815 1.309 310 HD2 HIS 624 2HD HIS 624 4.097 6.724 3.634 311 HE1 HIS 624 1HE HIS 624 8.106 8.096 3.346 312 HE2 HIS 624 2HE HIS 624 6.409 6.931 4.826 313 H ILE 625 H ILE 625 2.842 4.796 1.448 314 HA ILE 625 HA ILE 625 0.067 5.670 1.683 315 HB ILE 625 HB ILE 625 -0.798 3.558 0.822 316 HG12 ILE 625 1HG ILE 625 2.092 2.875 0.341 317 HG23 ILE 625 2HG ILE 625 -0.511 5.369 -0.809 318 HD11 ILE 625 1HD ILE 625 -0.358 1.246 -0.404 319 H ASN 626 H ASN 626 -1.087 4.368 3.187 320 HA ASN 626 HA ASN 626 0.599 2.753 4.971 321 HB2 ASN 626 2HB ASN 626 0.364 5.017 5.944 322 HB3 ASN 626 1HB ASN 626 -1.390 4.863 5.871 323 HD21 ASN 626 2HD ASN 626 -1.179 3.882 9.185 324 H VAL 627 H VAL 627 -0.599 1.128 6.101 325 HA VAL 627 HA VAL 627 -2.995 0.323 4.700 326 HB VAL 627 HB VAL 627 -1.577 -1.025 7.020 327 HG13 VAL 627 1HG VAL 627 -3.986 -1.592 6.881 328 HG21 VAL 627 2HG VAL 627 -0.825 -2.617 5.307 329 H CYS 628 H CYS 628 -4.777 1.062 5.201 330 HA CYS 628 HA CYS 628 -6.593 1.774 6.119 331 HB2 CYS 628 2HB CYS 628 -7.331 1.006 8.323 332 HB3 CYS 628 1HB CYS 628 -6.612 -0.312 7.422 333 H GLY 629 H GLY 629 -7.476 3.461 7.050 334 HA2 GLY 629 2HA GLY 629 -7.645 5.420 8.355 335 HA3 GLY 629 1HA GLY 629 -6.114 5.001 9.097 336 HA PRO 630 HA PRO 630 -4.886 8.197 6.285 337 HB2 PRO 630 2HB PRO 630 -3.773 9.688 8.304 338 HB3 PRO 630 1HB PRO 630 -5.414 9.834 7.651 339 HG2 PRO 630 2HG PRO 630 -4.686 8.895 10.309 340 HG3 PRO 630 1HG PRO 630 -6.313 8.950 9.591 341 HD2 PRO 630 2HD PRO 630 -4.303 6.799 9.789 342 HD3 PRO 630 1HD PRO 630 -6.083 6.728 9.848 343 H VAL 631 H VAL 631 -2.805 9.044 5.819 344 HA VAL 631 HA VAL 631 -0.568 7.391 6.737 345 HB VAL 631 HB VAL 631 -1.198 7.284 4.272 346 HG13 VAL 631 1HG VAL 631 -1.909 9.503 3.837 347 HG21 VAL 631 2HG VAL 631 1.107 7.524 3.442 348 H SER 632 H SER 632 1.198 8.508 7.584 349 HA SER 632 HA SER 632 0.802 11.370 7.716 350 HB2 SER 632 2HB SER 632 1.032 10.230 9.890 351 HB3 SER 632 1HB SER 632 2.618 9.632 9.404 352 HG SER 632 HG SER 632 3.438 11.447 9.863 353 H VAL 633 H VAL 633 1.477 11.776 5.684 354 HA VAL 633 HA VAL 633 4.394 11.493 5.245 355 HB VAL 633 HB VAL 633 2.405 12.234 3.092 356 HG13 VAL 633 1HG VAL 633 4.744 12.697 2.640 357 HG21 VAL 633 2HG VAL 633 2.294 9.988 2.364 358 H GLY 634 H GLY 634 5.534 13.393 4.982 359 HA2 GLY 634 2HA GLY 634 4.185 15.828 5.676 360 HA3 GLY 634 1HA GLY 634 5.904 15.624 5.342 361 H ALA 635 H ALA 635 2.993 15.057 3.492 362 HA ALA 635 HA ALA 635 3.782 17.045 1.506 363 HB1 ALA 635 1HB ALA 635 4.866 14.982 0.748 364 HB2 ALA 635 2HB ALA 635 3.583 15.481 -0.358 365 HB3 ALA 635 3HB ALA 635 3.309 14.156 0.773 366 H CYS 636 H CYS 636 1.395 14.777 2.781 367 HA CYS 636 HA CYS 636 -0.648 16.465 1.619 368 HB2 CYS 636 2HB CYS 636 -0.656 13.446 1.772 369 HB3 CYS 636 1HB CYS 636 -2.087 14.401 1.406 370 HA PRO 637 HA PRO 637 -2.329 17.026 5.632 371 HB2 PRO 637 2HB PRO 637 -4.944 16.284 4.429 372 HB3 PRO 637 1HB PRO 637 -4.500 17.713 5.367 373 HG2 PRO 637 2HG PRO 637 -4.788 17.904 2.752 374 HG3 PRO 637 1HG PRO 637 -3.444 18.722 3.573 375 HD2 PRO 637 2HD PRO 637 -3.426 16.207 1.969 376 HD3 PRO 637 1HD PRO 637 -2.257 17.544 2.014 377 HA PRO 638 HA PRO 638 -2.810 13.122 7.769 378 HB2 PRO 638 2HB PRO 638 -4.735 14.653 9.454 379 HB3 PRO 638 1HB PRO 638 -3.337 13.688 9.941 380 HG2 PRO 638 2HG PRO 638 -3.171 16.317 9.969 381 HG3 PRO 638 1HG PRO 638 -1.822 15.350 9.342 382 HD2 PRO 638 2HD PRO 638 -3.911 16.882 7.839 383 HD3 PRO 638 1HD PRO 638 -2.160 16.746 7.558 384 H ASP 639 H ASP 639 -5.473 14.705 6.289 385 HA ASP 639 HA ASP 639 -7.362 12.595 6.878 386 HB2 ASP 639 2HB ASP 639 -8.843 13.733 5.208 387 HB3 ASP 639 1HB ASP 639 -8.391 14.743 6.584 388 H SER 640 H SER 640 -4.761 12.715 4.921 389 HA SER 640 HA SER 640 -5.973 11.160 2.793 390 HB2 SER 640 2HB SER 640 -4.453 12.969 2.134 391 HB3 SER 640 1HB SER 640 -3.176 12.278 3.130 392 HG SER 640 HG SER 640 -4.226 11.447 0.692 393 H GLY 641 H GLY 641 -5.451 9.044 2.443 394 HA2 GLY 641 2HA GLY 641 -3.901 7.670 4.545 395 HA3 GLY 641 1HA GLY 641 -5.173 6.917 3.583 396 H ALA 642 H ALA 642 -3.720 8.688 1.366 397 HA ALA 642 HA ALA 642 -1.300 7.215 0.846 398 HB1 ALA 642 1HB ALA 642 -2.881 5.562 0.035 399 HB2 ALA 642 2HB ALA 642 -2.121 6.356 -1.330 400 HB3 ALA 642 3HB ALA 642 -3.758 6.814 -0.881 401 H CYS 643 H CYS 643 0.034 8.543 -0.090 402 HA CYS 643 HA CYS 643 -1.008 10.763 -1.678 403 HB2 CYS 643 2HB CYS 643 -0.848 11.709 0.497 404 HB3 CYS 643 1HB CYS 643 0.728 10.979 0.774 405 H GLN 644 H GLN 644 0.234 11.178 -3.419 406 HA GLN 644 HA GLN 644 2.943 10.062 -3.390 407 HB2 GLN 644 2HB GLN 644 2.977 10.396 -5.777 408 HB3 GLN 644 1HB GLN 644 1.815 9.123 -5.334 409 HG2 GLN 644 2HG GLN 644 0.027 10.758 -5.756 410 HG3 GLN 644 1HG GLN 644 1.231 11.993 -6.090 411 HE21 GLN 644 2HE GLN 644 -0.065 10.336 -9.226 412 H VAL 645 H VAL 645 4.618 11.344 -3.913 413 HA VAL 645 HA VAL 645 4.020 14.099 -4.480 414 HB VAL 645 HB VAL 645 4.327 14.068 -2.032 415 HG13 VAL 645 1HG VAL 645 5.669 12.090 -1.789 416 HG21 VAL 645 2HG VAL 645 5.116 16.045 -3.224 417 H SER 646 H SER 646 5.340 15.023 -5.789 418 HA SER 646 HA SER 646 7.148 13.369 -7.254 419 HB2 SER 646 2HB SER 646 5.798 15.029 -8.419 420 HB3 SER 646 1HB SER 646 6.521 16.321 -7.457 421 HG SER 646 HG SER 646 7.384 15.429 -9.733 422 H ARG 647 H ARG 647 9.090 12.978 -6.493 423 HA ARG 647 HA ARG 647 10.346 14.651 -4.548 424 HB2 ARG 647 2HB ARG 647 12.160 13.060 -4.553 425 HB3 ARG 647 1HB ARG 647 10.684 12.145 -4.807 426 HG2 ARG 647 2HG ARG 647 11.172 12.107 -7.218 427 HG3 ARG 647 1HG ARG 647 12.730 12.858 -6.865 428 HD2 ARG 647 2HD ARG 647 11.728 10.183 -5.886 429 HD3 ARG 647 1HD ARG 647 13.015 10.490 -7.046 430 HE ARG 647 HE ARG 647 13.561 11.720 -4.538 431 HH12 ARG 647 1HH ARG 647 14.878 7.943 -5.150 432 HH21 ARG 647 2HH ARG 647 15.601 9.153 -3.291 433 H SER 648 H SER 648 10.130 14.553 -7.926 434 HA SER 648 HA SER 648 12.507 16.054 -8.517 435 HB2 SER 648 2HB SER 648 11.442 14.344 -10.104 436 HB3 SER 648 1HB SER 648 10.138 15.482 -10.282 437 HG SER 648 HG SER 648 12.817 16.139 -10.800 438 H ASP 649 H ASP 649 8.964 16.741 -8.524 439 HA ASP 649 HA ASP 649 9.609 19.568 -8.999 440 HB2 ASP 649 2HB ASP 649 8.111 18.416 -10.633 441 HB3 ASP 649 1HB ASP 649 6.932 18.225 -9.337 442 H ARG 650 H ARG 650 8.477 17.545 -6.621 443 HA ARG 650 HA ARG 650 7.828 17.780 -4.509 444 HB2 ARG 650 2HB ARG 650 8.767 20.620 -4.847 445 HB3 ARG 650 1HB ARG 650 8.225 19.965 -3.306 446 HG2 ARG 650 2HG ARG 650 10.515 18.898 -4.951 447 HG3 ARG 650 1HG ARG 650 10.669 19.905 -3.506 448 HD2 ARG 650 2HD ARG 650 9.606 18.192 -2.165 449 HD3 ARG 650 1HD ARG 650 9.321 17.191 -3.577 450 HE ARG 650 HE ARG 650 12.036 17.690 -3.407 451 HH12 ARG 650 1HH ARG 650 10.498 14.808 -0.958 452 HH21 ARG 650 2HH ARG 650 12.790 14.756 -1.556 453 H LYS 651 H LYS 651 5.898 18.233 -6.640 454 HA LYS 651 HA LYS 651 3.867 19.381 -4.889 455 HB2 LYS 651 2HB LYS 651 3.638 18.406 -7.714 456 HB3 LYS 651 1HB LYS 651 2.293 19.032 -6.782 457 HG2 LYS 651 2HG LYS 651 3.861 21.127 -6.541 458 HG3 LYS 651 1HG LYS 651 4.690 20.414 -7.894 459 HD2 LYS 651 2HD LYS 651 3.074 21.995 -8.786 460 HD3 LYS 651 1HD LYS 651 2.604 20.334 -9.184 461 HE2 LYS 651 2HE LYS 651 0.947 20.322 -7.414 462 HE3 LYS 651 1HE LYS 651 1.470 21.912 -6.870 463 HZ1 LYS 651 3HZ LYS 651 -0.547 22.003 -8.168 464 HZ2 LYS 651 1HZ LYS 651 0.221 21.309 -9.496 465 HZ3 LYS 651 2HZ LYS 651 0.680 22.839 -8.954 466 H SER 652 H SER 652 1.890 18.134 -4.509 467 HA SER 652 HA SER 652 2.325 15.290 -4.752 468 HB2 SER 652 2HB SER 652 1.583 14.936 -2.445 469 HB3 SER 652 1HB SER 652 3.133 15.741 -2.570 470 HG SER 652 HG SER 652 1.372 16.652 -1.067 471 H TRP 653 H TRP 653 0.450 14.031 -4.372 472 HA TRP 653 HA TRP 653 -2.043 15.452 -4.929 473 HB2 TRP 653 2HB TRP 653 -1.000 13.030 -6.423 474 HB3 TRP 653 1HB TRP 653 -2.608 13.716 -6.604 475 HD1 TRP 653 HD TRP 653 -2.868 15.750 -8.232 476 HE1 TRP 653 1HE TRP 653 -1.257 16.984 -9.828 477 HE3 TRP 653 3HE TRP 653 1.578 13.831 -6.592 478 HZ2 TRP 653 2HZ TRP 653 1.521 17.115 -10.317 479 HZ3 TRP 653 3HZ TRP 653 3.634 14.526 -7.636 480 HH2 TRP 653 HH TRP 653 3.629 16.162 -9.485 481 H ASN 654 H ASN 654 -3.882 14.315 -4.286 482 HA ASN 654 HA ASN 654 -3.378 12.509 -2.051 483 HB2 ASN 654 2HB ASN 654 -4.965 14.656 -1.945 484 HB3 ASN 654 1HB ASN 654 -5.929 13.709 -2.975 485 HD21 ASN 654 2HD ASN 654 -7.569 12.974 -0.018 486 H LEU 655 H LEU 655 -3.611 10.388 -2.339 487 HA LEU 655 HA LEU 655 -4.973 9.464 -4.765 488 HB2 LEU 655 2HB LEU 655 -2.983 8.040 -3.015 489 HB3 LEU 655 1HB LEU 655 -3.619 7.478 -4.547 490 HG LEU 655 HG LEU 655 -1.758 9.789 -4.085 491 HD13 LEU 655 1HD LEU 655 -1.410 7.162 -5.501 492 HD21 LEU 655 2HD LEU 655 -3.029 8.847 -6.655 493 H GLY 656 H GLY 656 -5.862 10.044 -1.836 494 HA2 GLY 656 2HA GLY 656 -8.133 8.700 -1.733 495 HA3 GLY 656 1HA GLY 656 -7.011 7.459 -1.202 496 H ARG 657 H ARG 657 -9.178 9.383 -0.038 497 HA ARG 657 HA ARG 657 -7.764 10.641 2.084 498 HB2 ARG 657 2HB ARG 657 -10.728 10.032 1.932 499 HB3 ARG 657 1HB ARG 657 -9.887 11.227 2.910 500 HG2 ARG 657 2HG ARG 657 -9.276 12.480 0.923 501 HG3 ARG 657 1HG ARG 657 -10.098 11.293 -0.084 502 HD2 ARG 657 2HD ARG 657 -12.216 11.806 1.050 503 HD3 ARG 657 1HD ARG 657 -11.381 13.018 2.026 504 HE ARG 657 HE ARG 657 -11.553 13.200 -0.923 505 HH12 ARG 657 1HH ARG 657 -12.332 16.209 1.641 506 HH21 ARG 657 2HH ARG 657 -12.333 16.592 -0.676 507 H SER 658 H SER 658 -8.383 10.054 4.359 508 HA SER 658 HA SER 658 -7.518 7.503 4.982 509 HB2 SER 658 2HB SER 658 -8.376 8.005 7.271 510 HB3 SER 658 1HB SER 658 -7.331 9.259 6.587 511 HG SER 658 HG SER 658 -10.079 9.470 6.156 512 H ASN 659 H ASN 659 -8.403 5.600 5.023 513 HA ASN 659 HA ASN 659 -11.236 5.165 5.483 514 HB2 ASN 659 2HB ASN 659 -11.035 5.481 3.040 515 HB3 ASN 659 1HB ASN 659 -9.802 4.218 3.009 516 HD21 ASN 659 2HD ASN 659 -12.372 2.105 2.092 517 H ALA 660 H ALA 660 -11.550 2.977 6.206 518 HA ALA 660 HA ALA 660 -9.012 1.569 6.592 519 HB1 ALA 660 1HB ALA 660 -9.709 0.946 8.831 520 HB2 ALA 660 2HB ALA 660 -11.197 1.872 8.641 521 HB3 ALA 660 3HB ALA 660 -9.636 2.701 8.656 522 H LYS 661 H LYS 661 -11.766 1.405 4.997 523 HA LYS 661 HA LYS 661 -12.664 -1.181 5.845 524 HB2 LYS 661 2HB LYS 661 -13.465 0.267 3.303 525 HB3 LYS 661 1HB LYS 661 -14.258 -1.086 4.109 526 HG2 LYS 661 2HG LYS 661 -14.065 1.702 5.153 527 HG3 LYS 661 1HG LYS 661 -15.487 0.908 4.471 528 HD2 LYS 661 2HD LYS 661 -15.187 -0.834 6.316 529 HD3 LYS 661 1HD LYS 661 -14.002 0.334 6.959 530 HE2 LYS 661 2HE LYS 661 -16.863 0.941 6.383 531 HE3 LYS 661 1HE LYS 661 -16.234 0.557 7.989 532 HZ1 LYS 661 3HZ LYS 661 -16.380 2.944 7.726 533 HZ2 LYS 661 1HZ LYS 661 -15.460 2.906 6.307 534 HZ3 LYS 661 2HZ LYS 661 -14.767 2.493 7.785 535 H LEU 662 H LEU 662 -11.559 -2.908 5.402 536 HA LEU 662 HA LEU 662 -9.881 -3.077 3.044 537 HB2 LEU 662 2HB LEU 662 -10.615 -5.093 5.122 538 HB3 LEU 662 1HB LEU 662 -9.423 -5.386 3.862 539 HG LEU 662 HG LEU 662 -9.242 -3.533 6.239 540 HD13 LEU 662 1HD LEU 662 -7.728 -5.969 5.402 541 HD21 LEU 662 2HD LEU 662 -8.188 -2.450 4.348 542 H SER 663 H SER 663 -10.337 -4.472 1.277 543 HA SER 663 HA SER 663 -13.070 -5.477 1.264 544 HB2 SER 663 2HB SER 663 -11.462 -4.369 -1.046 545 HB3 SER 663 1HB SER 663 -13.113 -4.992 -1.135 546 HG SER 663 HG SER 663 -12.899 -3.192 0.828 547 H TYR 664 H TYR 664 -13.347 -7.509 0.554 548 HA TYR 664 HA TYR 664 -10.899 -8.959 -0.133 549 HB2 TYR 664 2HB TYR 664 -12.050 -9.538 2.056 550 HB3 TYR 664 1HB TYR 664 -13.409 -10.125 1.137 551 HD1 TYR 664 2HD TYR 664 -12.133 -11.715 -1.012 552 HD2 TYR 664 1HD TYR 664 -11.062 -11.294 3.074 553 HE1 TYR 664 2HE TYR 664 -11.059 -13.910 -1.088 554 HE2 TYR 664 1HE TYR 664 -9.966 -13.487 3.009 555 HH TYR 664 HH TYR 664 -9.318 -15.111 0.086 556 H TYR 665 H TYR 665 -10.858 -9.587 -2.127 557 HA TYR 665 HA TYR 665 -13.330 -9.989 -3.617 558 HB2 TYR 665 2HB TYR 665 -10.556 -9.216 -4.461 559 HB3 TYR 665 1HB TYR 665 -11.721 -9.883 -5.598 560 HD1 TYR 665 1HD TYR 665 -13.788 -8.720 -6.053 561 HD2 TYR 665 2HD TYR 665 -10.745 -6.957 -3.697 562 HE1 TYR 665 1HE TYR 665 -14.814 -6.590 -6.395 563 HE2 TYR 665 2HE TYR 665 -11.762 -4.747 -4.023 564 HH TYR 665 HH TYR 665 -13.273 -3.656 -5.735 565 H ASP 666 H ASP 666 -13.535 -12.018 -4.630 566 HA ASP 666 HA ASP 666 -12.505 -14.248 -3.371 567 HB2 ASP 666 2HB ASP 666 -14.414 -14.366 -4.918 568 HB3 ASP 666 1HB ASP 666 -13.349 -14.036 -6.276 569 H GLY 667 H GLY 667 -10.565 -15.032 -3.200 570 HA2 GLY 667 2HA GLY 667 -8.553 -15.870 -4.333 571 HA3 GLY 667 1HA GLY 667 -8.591 -14.387 -5.280 572 H MET 668 H MET 668 -8.773 -12.320 -3.600 573 HA MET 668 HA MET 668 -6.978 -12.663 -1.393 574 HB2 MET 668 2HB MET 668 -5.161 -11.245 -2.164 575 HB3 MET 668 1HB MET 668 -5.318 -12.654 -3.200 576 HG2 MET 668 2HG MET 668 -6.291 -9.866 -3.846 577 HG3 MET 668 1HG MET 668 -4.793 -10.576 -4.424 578 HE1 MET 668 3HE MET 668 -6.963 -9.230 -6.341 579 HE2 MET 668 1HE MET 668 -6.989 -10.396 -7.665 580 HE3 MET 668 2HE MET 668 -5.455 -9.943 -6.912 581 H ILE 669 H ILE 669 -6.319 -10.557 -0.440 582 HA ILE 669 HA ILE 669 -8.709 -8.954 -0.198 583 HB ILE 669 HB ILE 669 -6.137 -8.862 1.447 584 HG12 ILE 669 1HG ILE 669 -7.600 -9.833 3.300 585 HG23 ILE 669 2HG ILE 669 -7.399 -7.518 3.070 586 HD11 ILE 669 1HD ILE 669 -7.235 -11.673 0.951 587 H GLN 670 H GLN 670 -8.845 -6.829 -0.703 588 HA GLN 670 HA GLN 670 -6.517 -5.429 -1.740 589 HB2 GLN 670 2HB GLN 670 -9.158 -5.829 -3.152 590 HB3 GLN 670 1HB GLN 670 -8.086 -4.497 -3.543 591 HG2 GLN 670 2HG GLN 670 -6.427 -5.902 -4.380 592 HG3 GLN 670 1HG GLN 670 -7.141 -7.367 -3.665 593 HE21 GLN 670 2HE GLN 670 -9.273 -7.860 -6.378 594 H LEU 671 H LEU 671 -6.649 -3.200 -1.399 595 HA LEU 671 HA LEU 671 -8.878 -2.431 0.393 596 HB2 LEU 671 2HB LEU 671 -6.529 -2.693 1.392 597 HB3 LEU 671 1HB LEU 671 -6.065 -1.296 0.452 598 HG LEU 671 HG LEU 671 -8.056 -1.385 2.727 599 HD13 LEU 671 1HD LEU 671 -5.311 -0.174 2.548 600 HD21 LEU 671 2HD LEU 671 -8.116 1.062 2.605 601 H THR 672 H THR 672 -10.090 -0.848 -0.371 602 HA THR 672 HA THR 672 -9.168 0.727 -2.663 603 HB THR 672 HB THR 672 -11.964 0.390 -1.534 604 HG1 THR 672 1HG THR 672 -10.428 -1.212 -3.112 605 HG21 THR 672 2HG THR 672 -10.981 1.440 -4.200 606 H TYR 673 H TYR 673 -8.606 2.808 -2.182 607 HA TYR 673 HA TYR 673 -9.678 3.925 0.269 608 HB2 TYR 673 2HB TYR 673 -7.365 4.618 -1.390 609 HB3 TYR 673 1HB TYR 673 -8.057 5.909 -0.387 610 HD1 TYR 673 1HD TYR 673 -8.320 5.362 2.076 611 HD2 TYR 673 2HD TYR 673 -5.791 3.115 -0.487 612 HE1 TYR 673 1HE TYR 673 -7.136 4.516 4.027 613 HE2 TYR 673 2HE TYR 673 -4.578 2.247 1.487 614 HH TYR 673 HH TYR 673 -4.205 2.970 3.938 615 H ARG 674 H ARG 674 -10.016 6.335 0.184 616 HA ARG 674 HA ARG 674 -12.421 6.683 -1.295 617 HB2 ARG 674 2HB ARG 674 -10.914 8.610 0.437 618 HB3 ARG 674 1HB ARG 674 -12.535 8.864 -0.204 619 HG2 ARG 674 2HG ARG 674 -11.688 6.653 1.634 620 HG3 ARG 674 1HG ARG 674 -12.535 8.110 2.153 621 HD2 ARG 674 2HD ARG 674 -13.582 5.990 0.255 622 HD3 ARG 674 1HD ARG 674 -14.101 6.237 1.918 623 HE ARG 674 HE ARG 674 -14.555 8.638 0.813 624 HH12 ARG 674 1HH ARG 674 -16.987 5.950 -0.926 625 HH21 ARG 674 2HH ARG 674 -17.519 8.197 -0.967 626 H ASP 675 H ASP 675 -12.765 9.064 -2.091 627 HA ASP 675 HA ASP 675 -11.919 9.160 -4.664 628 HB2 ASP 675 2HB ASP 675 -12.765 11.492 -4.655 629 HB3 ASP 675 1HB ASP 675 -13.871 10.330 -3.925 630 H GLY 676 H GLY 676 -10.540 10.855 -1.955 631 HA2 GLY 676 2HA GLY 676 -8.426 11.792 -1.665 632 HA3 GLY 676 1HA GLY 676 -7.962 11.026 -3.177 633 H THR 677 H THR 677 -7.577 12.292 -4.815 634 HA THR 677 HA THR 677 -8.910 14.823 -4.948 635 HB THR 677 HB THR 677 -5.948 14.368 -5.152 636 HG1 THR 677 1HG THR 677 -7.734 15.665 -3.534 637 HG21 THR 677 2HG THR 677 -5.684 16.687 -5.960 638 HA PRO 678 HA PRO 678 -9.451 12.918 -8.999 639 HB2 PRO 678 2HB PRO 678 -11.126 14.551 -10.169 640 HB3 PRO 678 1HB PRO 678 -11.619 13.619 -8.790 641 HG2 PRO 678 2HG PRO 678 -10.724 16.467 -8.773 642 HG3 PRO 678 1HG PRO 678 -12.156 15.754 -8.001 643 HD2 PRO 678 2HD PRO 678 -9.833 16.196 -6.606 644 HD3 PRO 678 1HD PRO 678 -10.932 14.835 -6.263 645 H TYR 679 H TYR 679 -8.917 13.186 -11.083 646 HA TYR 679 HA TYR 679 -6.435 14.307 -11.645 647 HB2 TYR 679 2HB TYR 679 -8.575 13.538 -13.630 648 HB3 TYR 679 1HB TYR 679 -6.919 13.903 -14.065 649 HD1 TYR 679 1HD TYR 679 -8.925 11.624 -11.908 650 HD2 TYR 679 2HD TYR 679 -5.395 12.129 -14.204 651 HE1 TYR 679 1HE TYR 679 -8.420 9.277 -11.616 652 HE2 TYR 679 2HE TYR 679 -4.877 9.749 -13.906 653 HH TYR 679 HH TYR 679 -5.397 7.923 -12.536 654 H ASN 680 H ASN 680 -9.052 15.333 -13.746 655 HA ASN 680 HA ASN 680 -9.266 18.075 -13.261 656 HB2 ASN 680 2HB ASN 680 -7.748 19.092 -14.918 657 HB3 ASN 680 1HB ASN 680 -6.799 18.166 -13.769 658 HD21 ASN 680 2HD ASN 680 -5.566 15.908 -16.162 659 H ASN 681 H ASN 681 -10.606 15.599 -14.364 660 HA ASN 681 HA ASN 681 -10.861 16.289 -17.166 661 HB2 ASN 681 2HB ASN 681 -11.611 13.969 -17.471 662 HB3 ASN 681 1HB ASN 681 -9.992 14.073 -16.799 663 HD21 ASN 681 2HD ASN 681 -12.206 11.558 -15.061 664 H GLU 682 H GLU 682 -12.934 15.597 -18.097 665 HA GLU 682 HA GLU 682 -15.053 17.184 -17.391 666 HB2 GLU 682 2HB GLU 682 -14.782 16.098 -19.555 667 HB3 GLU 682 1HB GLU 682 -15.076 14.536 -18.822 668 HG2 GLU 682 2HG GLU 682 -17.357 15.309 -18.215 669 HG3 GLU 682 1HG GLU 682 -17.045 16.785 -19.130 670 H LYS 683 H LYS 683 -14.496 13.823 -16.536 671 HA LYS 683 HA LYS 683 -17.059 13.517 -15.285 672 HB2 LYS 683 2HB LYS 683 -15.937 11.754 -16.573 673 HB3 LYS 683 1HB LYS 683 -14.675 11.694 -15.361 674 HG2 LYS 683 2HG LYS 683 -16.282 10.920 -13.706 675 HG3 LYS 683 1HG LYS 683 -17.580 11.040 -14.899 676 HD2 LYS 683 2HD LYS 683 -16.410 9.481 -16.321 677 HD3 LYS 683 1HD LYS 683 -15.138 9.322 -15.104 678 HE2 LYS 683 2HE LYS 683 -16.819 8.431 -13.515 679 HE3 LYS 683 1HE LYS 683 -18.047 8.563 -14.766 680 HZ1 LYS 683 3HZ LYS 683 -16.829 6.947 -16.105 681 HZ2 LYS 683 1HZ LYS 683 -17.177 6.306 -14.595 682 HZ3 LYS 683 2HZ LYS 683 -15.625 6.850 -14.930 683 H ARG 684 H ARG 684 -14.001 14.740 -14.246 684 HA ARG 684 HA ARG 684 -12.914 14.945 -12.330 685 HB2 ARG 684 2HB ARG 684 -15.669 14.934 -11.017 686 HB3 ARG 684 1HB ARG 684 -14.184 15.365 -10.196 687 HG2 ARG 684 2HG ARG 684 -15.233 17.401 -10.665 688 HG3 ARG 684 1HG ARG 684 -14.001 17.256 -11.914 689 HD2 ARG 684 2HD ARG 684 -16.077 18.047 -12.883 690 HD3 ARG 684 1HD ARG 684 -15.739 16.416 -13.466 691 HE ARG 684 HE ARG 684 -17.282 16.047 -11.258 692 HH12 ARG 684 1HH ARG 684 -19.442 17.620 -14.285 693 HH21 ARG 684 2HH ARG 684 -20.503 16.499 -12.575 694 H THR 685 H THR 685 -12.035 12.989 -12.728 695 HA THR 685 HA THR 685 -13.176 10.704 -11.408 696 HB THR 685 HB THR 685 -10.732 10.982 -13.149 697 HG1 THR 685 1HG THR 685 -12.755 9.438 -14.083 698 HG21 THR 685 2HG THR 685 -10.528 9.187 -11.571 699 HA PRO 686 HA PRO 686 -10.661 11.551 -7.835 700 HB2 PRO 686 2HB PRO 686 -11.352 9.303 -6.517 701 HB3 PRO 686 1HB PRO 686 -12.375 10.740 -6.539 702 HG2 PRO 686 2HG PRO 686 -12.575 8.207 -8.108 703 HG3 PRO 686 1HG PRO 686 -13.871 9.198 -7.417 704 HD2 PRO 686 2HD PRO 686 -13.221 9.233 -10.023 705 HD3 PRO 686 1HD PRO 686 -13.867 10.658 -9.178 706 H ARG 687 H ARG 687 -8.547 11.125 -7.661 707 HA ARG 687 HA ARG 687 -7.396 8.729 -8.773 708 HB2 ARG 687 2HB ARG 687 -6.240 10.895 -7.037 709 HB3 ARG 687 1HB ARG 687 -5.270 9.625 -7.734 710 HG2 ARG 687 2HG ARG 687 -5.910 10.561 -9.987 711 HG3 ARG 687 1HG ARG 687 -6.681 11.899 -9.121 712 HD2 ARG 687 2HD ARG 687 -4.516 12.271 -7.933 713 HD3 ARG 687 1HD ARG 687 -3.790 11.081 -8.998 714 HE ARG 687 HE ARG 687 -5.055 13.507 -10.036 715 HH12 ARG 687 1HH ARG 687 -1.263 12.282 -10.872 716 HH21 ARG 687 2HH ARG 687 -1.990 14.391 -11.589 717 H ALA 688 H ALA 688 -7.492 6.859 -7.658 718 HA ALA 688 HA ALA 688 -7.563 7.066 -4.731 719 HB1 ALA 688 1HB ALA 688 -9.230 5.204 -6.428 720 HB2 ALA 688 2HB ALA 688 -9.823 6.632 -5.576 721 HB3 ALA 688 3HB ALA 688 -9.202 5.254 -4.665 722 H THR 689 H THR 689 -7.069 4.966 -3.722 723 HA THR 689 HA THR 689 -4.904 3.659 -5.199 724 HB THR 689 HB THR 689 -5.181 4.190 -2.237 725 HG1 THR 689 1HG THR 689 -4.632 5.991 -3.480 726 HG21 THR 689 2HG THR 689 -2.929 2.883 -3.777 727 H LEU 690 H LEU 690 -4.927 1.497 -5.365 728 HA LEU 690 HA LEU 690 -6.783 -0.016 -3.697 729 HB2 LEU 690 2HB LEU 690 -7.499 0.272 -6.130 730 HB3 LEU 690 1HB LEU 690 -6.049 -0.584 -6.587 731 HG LEU 690 HG LEU 690 -8.022 -2.010 -6.749 732 HD13 LEU 690 1HD LEU 690 -5.960 -3.120 -6.194 733 HD21 LEU 690 2HD LEU 690 -9.407 -0.924 -5.086 734 H ILE 691 H ILE 691 -5.560 -1.182 -2.435 735 HA ILE 691 HA ILE 691 -2.857 -1.927 -3.316 736 HB ILE 691 HB ILE 691 -4.042 -2.070 -0.516 737 HG12 ILE 691 1HG ILE 691 -2.147 -0.020 -1.676 738 HG23 ILE 691 2HG ILE 691 -1.184 -2.278 -1.502 739 HD11 ILE 691 1HD ILE 691 -1.800 -0.311 0.713 740 H THR 692 H THR 692 -2.527 -3.967 -3.900 741 HA THR 692 HA THR 692 -4.646 -5.924 -3.415 742 HB THR 692 HB THR 692 -2.310 -6.040 -5.251 743 HG1 THR 692 1HG THR 692 -4.535 -4.509 -5.324 744 HG21 THR 692 2HG THR 692 -4.996 -7.425 -5.309 745 H PHE 693 H PHE 693 -4.191 -7.413 -1.872 746 HA PHE 693 HA PHE 693 -1.440 -7.658 -0.928 747 HB2 PHE 693 2HB PHE 693 -4.056 -8.505 0.281 748 HB3 PHE 693 1HB PHE 693 -2.488 -8.685 1.045 749 HD1 PHE 693 1HD PHE 693 -4.797 -6.094 -0.294 750 HD2 PHE 693 2HD PHE 693 -1.620 -6.960 2.390 751 HE1 PHE 693 1HE PHE 693 -5.041 -3.881 0.709 752 HE2 PHE 693 2HE PHE 693 -1.852 -4.747 3.388 753 HZ PHE 693 HZ PHE 693 -3.572 -3.201 2.545 754 H LEU 694 H LEU 694 -0.359 -9.485 -1.158 755 HA LEU 694 HA LEU 694 -1.788 -11.833 -2.215 756 HB2 LEU 694 2HB LEU 694 1.126 -11.088 -2.616 757 HB3 LEU 694 1HB LEU 694 0.363 -12.539 -3.209 758 HG LEU 694 HG LEU 694 0.644 -11.129 -5.057 759 HD13 LEU 694 1HD LEU 694 -2.224 -10.942 -4.241 760 HD21 LEU 694 2HD LEU 694 -0.188 -8.814 -5.220 761 H CYS 695 H CYS 695 -0.675 -13.914 -1.639 762 HA CYS 695 HA CYS 695 -0.529 -14.216 1.143 763 HB2 CYS 695 2HB CYS 695 -1.391 -16.064 0.003 764 HB3 CYS 695 1HB CYS 695 -0.104 -16.083 -1.180 765 H ASP 696 H ASP 696 1.858 -13.232 -0.961 766 HA ASP 696 HA ASP 696 4.066 -12.713 -0.739 767 HB2 ASP 696 2HB ASP 696 3.674 -11.839 1.437 768 HB3 ASP 696 1HB ASP 696 3.571 -13.445 2.138 769 H ARG 697 H ARG 697 5.927 -13.605 -1.261 770 HA ARG 697 HA ARG 697 6.172 -16.493 -0.960 771 HB2 ARG 697 2HB ARG 697 7.766 -14.549 -2.674 772 HB3 ARG 697 1HB ARG 697 8.177 -16.241 -2.498 773 HG2 ARG 697 2HG ARG 697 7.057 -16.022 -4.569 774 HG3 ARG 697 1HG ARG 697 5.920 -16.781 -3.465 775 HD2 ARG 697 2HD ARG 697 4.848 -14.579 -3.125 776 HD3 ARG 697 1HD ARG 697 5.962 -13.879 -4.299 777 HE ARG 697 HE ARG 697 4.066 -16.031 -4.947 778 HH12 ARG 697 1HH ARG 697 4.861 -12.839 -7.324 779 HH21 ARG 697 2HH ARG 697 3.250 -14.425 -7.972 780 H ASP 698 H ASP 698 8.214 -13.591 -0.663 781 HA ASP 698 HA ASP 698 9.101 -14.523 1.915 782 HB2 ASP 698 2HB ASP 698 10.728 -15.599 0.425 783 HB3 ASP 698 1HB ASP 698 11.095 -14.040 -0.304 784 H ALA 699 H ALA 699 8.651 -12.834 3.071 785 HA ALA 699 HA ALA 699 10.138 -10.461 2.964 786 HB1 ALA 699 1HB ALA 699 8.341 -8.823 2.529 787 HB2 ALA 699 2HB ALA 699 7.217 -10.138 2.187 788 HB3 ALA 699 3HB ALA 699 8.592 -9.855 1.124 789 H GLY 700 H GLY 700 6.794 -11.267 3.870 790 HA2 GLY 700 2HA GLY 700 6.342 -11.998 6.172 791 HA3 GLY 700 1HA GLY 700 7.589 -10.856 6.678 792 H VAL 701 H VAL 701 7.146 -8.701 6.835 793 HA VAL 701 HA VAL 701 4.408 -8.020 7.107 794 HB VAL 701 HB VAL 701 6.228 -6.976 8.462 795 HG13 VAL 701 1HG VAL 701 7.943 -6.636 6.839 796 HG21 VAL 701 2HG VAL 701 5.348 -4.669 8.457 797 H GLY 702 H GLY 702 6.917 -7.284 4.728 798 HA2 GLY 702 2HA GLY 702 6.483 -7.329 2.473 799 HA3 GLY 702 1HA GLY 702 4.790 -7.015 2.813 800 H PHE 703 H PHE 703 6.503 -5.843 1.065 801 HA PHE 703 HA PHE 703 6.104 -3.055 1.828 802 HB2 PHE 703 2HB PHE 703 8.031 -2.408 0.389 803 HB3 PHE 703 1HB PHE 703 8.535 -3.465 1.694 804 HD1 PHE 703 1HD PHE 703 9.164 -5.811 1.194 805 HD2 PHE 703 2HD PHE 703 8.253 -3.032 -1.900 806 HE1 PHE 703 1HE PHE 703 10.259 -7.283 -0.446 807 HE2 PHE 703 2HE PHE 703 9.343 -4.503 -3.547 808 HZ PHE 703 HZ PHE 703 10.347 -6.630 -2.820 809 HA PRO 704 HA PRO 704 3.473 -3.270 -1.759 810 HB2 PRO 704 2HB PRO 704 2.819 -0.675 -1.974 811 HB3 PRO 704 1HB PRO 704 2.208 -1.678 -0.652 812 HG2 PRO 704 2HG PRO 704 4.470 0.278 -0.648 813 HG3 PRO 704 1HG PRO 704 3.214 0.025 0.573 814 HD2 PRO 704 2HD PRO 704 5.735 -1.001 0.795 815 HD3 PRO 704 1HD PRO 704 4.302 -1.752 1.511 816 H GLU 705 H GLU 705 3.725 -3.090 -3.916 817 HA GLU 705 HA GLU 705 5.910 -1.372 -4.914 818 HB2 GLU 705 2HB GLU 705 6.295 -3.832 -5.221 819 HB3 GLU 705 1HB GLU 705 4.802 -3.901 -6.121 820 HG2 GLU 705 2HG GLU 705 5.698 -2.362 -7.795 821 HG3 GLU 705 1HG GLU 705 7.226 -2.314 -6.925 822 H TYR 706 H TYR 706 5.302 0.167 -6.308 823 HA TYR 706 HA TYR 706 2.560 0.456 -7.085 824 HB2 TYR 706 2HB TYR 706 3.707 2.500 -6.648 825 HB3 TYR 706 1HB TYR 706 5.039 2.083 -7.713 826 HD1 TYR 706 2HD TYR 706 1.308 2.409 -7.939 827 HD2 TYR 706 1HD TYR 706 5.101 3.167 -9.695 828 HE1 TYR 706 2HE TYR 706 0.201 3.515 -9.784 829 HE2 TYR 706 1HE TYR 706 4.029 4.300 -11.565 830 HH TYR 706 HH TYR 706 1.982 4.299 -12.665 831 H GLN 707 H GLN 707 1.597 -0.333 -8.799 832 HA GLN 707 HA GLN 707 3.255 -1.628 -10.777 833 HB2 GLN 707 2HB GLN 707 0.247 -1.545 -10.507 834 HB3 GLN 707 1HB GLN 707 1.094 -2.434 -11.763 835 HG2 GLN 707 2HG GLN 707 1.220 -2.908 -8.801 836 HG3 GLN 707 1HG GLN 707 0.412 -3.909 -10.006 837 HE21 GLN 707 2HE GLN 707 4.411 -4.182 -9.374 838 H GLU 708 H GLU 708 0.258 -0.131 -11.684 839 HA GLU 708 HA GLU 708 1.376 2.203 -12.775 840 HB2 GLU 708 2HB GLU 708 0.899 -0.108 -14.530 841 HB3 GLU 708 1HB GLU 708 0.323 1.439 -15.112 842 HG2 GLU 708 2HG GLU 708 3.146 0.867 -14.246 843 HG3 GLU 708 1HG GLU 708 2.590 0.914 -15.922 844 H GLU 709 H GLU 709 -0.004 3.620 -12.691 845 HA GLU 709 HA GLU 709 -2.769 2.941 -12.323 846 HB2 GLU 709 2HB GLU 709 -1.620 4.699 -10.958 847 HB3 GLU 709 1HB GLU 709 -1.426 5.652 -12.414 848 HG2 GLU 709 2HG GLU 709 -4.104 4.861 -11.266 849 HG3 GLU 709 1HG GLU 709 -3.278 6.365 -10.893 850 H ASP 710 H ASP 710 -4.124 2.934 -13.830 851 HA ASP 710 HA ASP 710 -4.067 4.577 -16.206 852 HB2 ASP 710 2HB ASP 710 -2.693 2.667 -16.978 853 HB3 ASP 710 1HB ASP 710 -3.951 1.551 -16.456 854 H ASN 711 H ASN 711 -5.302 2.017 -14.331 855 HA ASN 711 HA ASN 711 -7.980 2.023 -15.273 856 HB2 ASN 711 2HB ASN 711 -8.267 0.490 -13.331 857 HB3 ASN 711 1HB ASN 711 -7.023 -0.020 -14.476 858 HD21 ASN 711 2HD ASN 711 -6.120 0.737 -10.651 859 H SER 712 H SER 712 -6.736 4.599 -13.940 860 HA SER 712 HA SER 712 -7.571 6.375 -12.911 861 HB2 SER 712 2HB SER 712 -10.108 4.759 -12.531 862 HB3 SER 712 1HB SER 712 -9.955 6.499 -12.272 863 HG SER 712 HG SER 712 -8.997 6.044 -14.651 864 H THR 713 H THR 713 -6.761 3.688 -11.507 865 HA THR 713 HA THR 713 -6.833 4.809 -8.849 866 HB THR 713 HB THR 713 -7.736 1.998 -9.564 867 HG1 THR 713 1HG THR 713 -8.999 4.330 -9.413 868 HG21 THR 713 2HG THR 713 -8.314 1.813 -7.183 869 H TYR 714 H TYR 714 -5.037 4.252 -7.680 870 HA TYR 714 HA TYR 714 -2.812 3.239 -9.226 871 HB2 TYR 714 2HB TYR 714 -2.965 4.471 -6.462 872 HB3 TYR 714 1HB TYR 714 -1.476 4.028 -7.284 873 HD1 TYR 714 1HD TYR 714 -4.509 6.156 -7.721 874 HD2 TYR 714 2HD TYR 714 -0.387 5.626 -8.593 875 HE1 TYR 714 1HE TYR 714 -4.466 8.350 -8.784 876 HE2 TYR 714 2HE TYR 714 -0.334 7.844 -9.656 877 HH TYR 714 HH TYR 714 -1.957 9.388 -10.732 878 H ASN 715 H ASN 715 -2.326 1.188 -9.149 879 HA ASN 715 HA ASN 715 -3.203 -0.408 -6.872 880 HB2 ASN 715 2HB ASN 715 -2.554 -1.003 -9.678 881 HB3 ASN 715 1HB ASN 715 -2.436 -2.319 -8.513 882 HD21 ASN 715 2HD ASN 715 -5.915 -2.739 -8.195 883 H PHE 716 H PHE 716 -1.959 -1.349 -5.592 884 HA PHE 716 HA PHE 716 0.937 -1.381 -6.082 885 HB2 PHE 716 2HB PHE 716 -0.522 -0.879 -3.477 886 HB3 PHE 716 1HB PHE 716 1.212 -1.119 -3.626 887 HD1 PHE 716 1HD PHE 716 -1.580 1.147 -4.407 888 HD2 PHE 716 2HD PHE 716 2.627 0.619 -4.357 889 HE1 PHE 716 1HE PHE 716 -1.275 3.564 -4.787 890 HE2 PHE 716 2HE PHE 716 2.936 3.024 -4.731 891 HZ PHE 716 HZ PHE 716 0.984 4.494 -4.950 892 H ARG 717 H ARG 717 1.976 -3.220 -5.440 893 HA ARG 717 HA ARG 717 0.219 -5.471 -4.719 894 HB2 ARG 717 2HB ARG 717 3.049 -5.564 -5.762 895 HB3 ARG 717 1HB ARG 717 2.045 -6.956 -5.383 896 HG2 ARG 717 2HG ARG 717 0.428 -6.045 -7.043 897 HG3 ARG 717 1HG ARG 717 1.753 -4.926 -7.467 898 HD2 ARG 717 2HD ARG 717 2.021 -7.932 -7.513 899 HD3 ARG 717 1HD ARG 717 1.629 -6.987 -8.944 900 HE ARG 717 HE ARG 717 3.983 -5.951 -7.854 901 HH12 ARG 717 1HH ARG 717 4.416 -9.347 -10.000 902 HH21 ARG 717 2HH ARG 717 6.244 -7.911 -9.676 903 H TRP 718 H TRP 718 0.280 -6.191 -2.805 904 HA TRP 718 HA TRP 718 2.601 -5.472 -1.164 905 HB2 TRP 718 2HB TRP 718 0.283 -4.457 -0.622 906 HB3 TRP 718 1HB TRP 718 -0.141 -6.081 -0.109 907 HD1 TRP 718 HD TRP 718 1.985 -7.094 1.662 908 HE1 TRP 718 1HE TRP 718 2.818 -5.870 3.770 909 HE3 TRP 718 3HE TRP 718 0.423 -2.419 0.481 910 HZ2 TRP 718 2HZ TRP 718 2.787 -3.256 4.777 911 HZ3 TRP 718 3HZ TRP 718 0.837 -0.595 2.080 912 HH2 TRP 718 HH TRP 718 1.998 -1.013 4.174 913 H TYR 719 H TYR 719 3.762 -7.211 -0.841 914 HA TYR 719 HA TYR 719 2.440 -9.798 -0.752 915 HB2 TYR 719 2HB TYR 719 5.340 -9.028 -1.074 916 HB3 TYR 719 1HB TYR 719 4.805 -10.692 -0.847 917 HD1 TYR 719 1HD TYR 719 4.811 -7.822 -3.179 918 HD2 TYR 719 2HD TYR 719 3.675 -11.884 -2.598 919 HE1 TYR 719 1HE TYR 719 4.370 -8.046 -5.583 920 HE2 TYR 719 2HE TYR 719 3.229 -12.106 -4.990 921 HH TYR 719 HH TYR 719 2.691 -10.711 -6.887 922 H THR 720 H THR 720 1.683 -10.202 1.186 923 HA THR 720 HA THR 720 3.497 -9.823 3.414 924 HB THR 720 HB THR 720 2.001 -7.902 3.471 925 HG1 THR 720 1HG THR 720 2.376 -8.435 5.428 926 HG21 THR 720 2HG THR 720 0.157 -8.861 2.159 927 H SER 721 H SER 721 3.390 -11.353 4.908 928 HA SER 721 HA SER 721 2.301 -13.846 4.183 929 HB2 SER 721 2HB SER 721 3.451 -12.893 6.797 930 HB3 SER 721 1HB SER 721 3.259 -14.581 6.288 931 HG SER 721 HG SER 721 4.583 -13.507 4.341 932 H TYR 722 H TYR 722 1.097 -11.138 6.028 933 HA TYR 722 HA TYR 722 -0.724 -12.542 7.683 934 HB2 TYR 722 2HB TYR 722 -0.704 -9.645 6.835 935 HB3 TYR 722 1HB TYR 722 -1.667 -10.344 8.113 936 HD1 TYR 722 1HD TYR 722 -0.649 -11.012 10.240 937 HD2 TYR 722 2HD TYR 722 1.682 -9.242 7.163 938 HE1 TYR 722 1HE TYR 722 1.136 -10.553 11.861 939 HE2 TYR 722 2HE TYR 722 3.468 -8.778 8.768 940 HH TYR 722 HH TYR 722 3.569 -10.161 11.831 941 H ALA 723 H ALA 723 -0.795 -11.593 4.373 942 HA ALA 723 HA ALA 723 -3.708 -11.620 4.267 943 HB1 ALA 723 1HB ALA 723 -3.464 -10.977 1.933 944 HB2 ALA 723 2HB ALA 723 -1.719 -11.192 2.038 945 HB3 ALA 723 3HB ALA 723 -2.507 -9.917 2.969 946 H CYS 724 H CYS 724 -1.612 -13.927 4.565 947 HA CYS 724 HA CYS 724 -2.735 -15.618 2.459 948 HB2 CYS 724 2HB CYS 724 -0.211 -15.373 2.701 949 HB3 CYS 724 1HB CYS 724 -0.379 -16.205 4.236 950 HA PRO 725 HA PRO 725 -5.286 -17.546 5.648 951 HB2 PRO 725 2HB PRO 725 -4.932 -19.963 3.948 952 HB3 PRO 725 1HB PRO 725 -6.422 -19.220 4.538 953 HG2 PRO 725 2HG PRO 725 -5.692 -18.949 1.994 954 HG3 PRO 725 1HG PRO 725 -6.438 -17.607 2.869 955 HD2 PRO 725 2HD PRO 725 -3.574 -18.036 2.132 956 HD3 PRO 725 1HD PRO 725 -4.526 -16.535 2.190 Start of MODEL 6 1 H1 GLU 578 1HT GLU 578 -17.391 0.533 -5.732 2 H2 GLU 578 2HT GLU 578 -17.546 1.655 -6.980 3 H3 GLU 578 3HT GLU 578 -18.752 1.512 -5.831 4 HA GLU 578 HA GLU 578 -15.980 2.393 -5.287 5 HB2 GLU 578 2HB GLU 578 -17.288 4.040 -6.581 6 HB3 GLU 578 1HB GLU 578 -18.557 3.980 -5.373 7 HG2 GLU 578 2HG GLU 578 -17.002 4.901 -3.721 8 HG3 GLU 578 1HG GLU 578 -15.751 4.982 -4.965 9 H ALA 579 H ALA 579 -19.264 2.756 -3.915 10 HA ALA 579 HA ALA 579 -18.363 1.600 -1.410 11 HB1 ALA 579 1HB ALA 579 -19.454 3.466 -0.178 12 HB2 ALA 579 2HB ALA 579 -19.716 4.296 -1.711 13 HB3 ALA 579 3HB ALA 579 -18.075 4.016 -1.131 14 H GLU 580 H GLU 580 -19.769 0.055 -1.030 15 HA GLU 580 HA GLU 580 -21.572 -1.235 -0.975 16 HB2 GLU 580 2HB GLU 580 -23.111 1.332 -1.432 17 HB3 GLU 580 1HB GLU 580 -23.907 -0.222 -1.300 18 HG2 GLU 580 2HG GLU 580 -24.068 0.930 0.782 19 HG3 GLU 580 1HG GLU 580 -22.996 -0.449 0.984 20 H ALA 581 H ALA 581 -23.560 -1.914 -2.364 21 HA ALA 581 HA ALA 581 -24.408 -2.716 -4.272 22 HB1 ALA 581 1HB ALA 581 -24.328 -0.404 -5.167 23 HB2 ALA 581 2HB ALA 581 -24.094 -1.621 -6.424 24 HB3 ALA 581 3HB ALA 581 -22.712 -0.726 -5.790 25 H GLU 582 H GLU 582 -20.962 -2.436 -4.110 26 HA GLU 582 HA GLU 582 -20.522 -4.595 -5.936 27 HB2 GLU 582 2HB GLU 582 -18.643 -3.234 -4.010 28 HB3 GLU 582 1HB GLU 582 -18.156 -4.497 -5.127 29 HG2 GLU 582 2HG GLU 582 -18.786 -3.062 -7.008 30 HG3 GLU 582 1HG GLU 582 -19.264 -1.799 -5.875 31 H PHE 583 H PHE 583 -21.808 -6.201 -5.075 32 HA PHE 583 HA PHE 583 -20.393 -7.692 -3.036 33 HB2 PHE 583 2HB PHE 583 -22.247 -6.583 -1.823 34 HB3 PHE 583 1HB PHE 583 -23.402 -7.282 -2.947 35 HD1 PHE 583 2HD PHE 583 -20.776 -8.248 -0.493 36 HD2 PHE 583 1HD PHE 583 -24.423 -9.309 -2.422 37 HE1 PHE 583 2HE PHE 583 -20.973 -10.219 0.967 38 HE2 PHE 583 1HE PHE 583 -24.624 -11.279 -0.965 39 HZ PHE 583 HZ PHE 583 -22.896 -11.736 0.731 40 H LEU 584 H LEU 584 -19.632 -8.673 -4.828 41 HA LEU 584 HA LEU 584 -21.165 -10.997 -5.687 42 HB2 LEU 584 2HB LEU 584 -19.795 -9.107 -7.636 43 HB3 LEU 584 1HB LEU 584 -20.379 -10.695 -8.052 44 HG LEU 584 HG LEU 584 -22.135 -8.380 -7.201 45 HD13 LEU 584 1HD LEU 584 -21.070 -7.970 -9.360 46 HD21 LEU 584 2HD LEU 584 -23.117 -10.557 -6.678 47 H SER 585 H SER 585 -18.206 -9.305 -6.592 48 HA SER 585 HA SER 585 -16.636 -11.643 -5.875 49 HB2 SER 585 2HB SER 585 -14.907 -10.456 -7.265 50 HB3 SER 585 1HB SER 585 -16.366 -10.922 -8.145 51 HG SER 585 HG SER 585 -15.871 -8.830 -8.665 52 H ARG 586 H ARG 586 -17.406 -8.444 -4.981 53 HA ARG 586 HA ARG 586 -15.043 -8.158 -3.282 54 HB2 ARG 586 2HB ARG 586 -15.463 -6.164 -4.673 55 HB3 ARG 586 1HB ARG 586 -17.102 -6.048 -4.023 56 HG2 ARG 586 2HG ARG 586 -16.105 -5.794 -1.735 57 HG3 ARG 586 1HG ARG 586 -14.526 -5.738 -2.496 58 HD2 ARG 586 2HD ARG 586 -16.768 -3.761 -2.961 59 HD3 ARG 586 1HD ARG 586 -15.414 -3.508 -1.873 60 HE ARG 586 HE ARG 586 -15.232 -3.707 -4.805 61 HH12 ARG 586 1HH ARG 586 -12.781 -1.476 -2.487 62 HH21 ARG 586 2HH ARG 586 -12.671 -1.343 -4.849 63 H THR 587 H THR 587 -15.236 -8.468 -1.279 64 HA THR 587 HA THR 587 -17.831 -8.231 0.047 65 HB THR 587 HB THR 587 -15.302 -9.665 0.826 66 HG1 THR 587 1HG THR 587 -16.559 -11.533 0.405 67 HG21 THR 587 2HG THR 587 -18.062 -9.725 2.044 68 H GLU 588 H GLU 588 -17.866 -6.326 1.283 69 HA GLU 588 HA GLU 588 -15.252 -5.185 1.941 70 HB2 GLU 588 2HB GLU 588 -16.800 -3.704 0.703 71 HB3 GLU 588 1HB GLU 588 -17.979 -3.868 1.995 72 HG2 GLU 588 2HG GLU 588 -16.412 -2.806 3.555 73 HG3 GLU 588 1HG GLU 588 -15.244 -2.626 2.250 74 H GLY 589 H GLY 589 -14.534 -5.377 3.896 75 HA2 GLY 589 2HA GLY 589 -16.257 -6.566 5.891 76 HA3 GLY 589 1HA GLY 589 -14.517 -6.388 5.968 77 H ASP 590 H ASP 590 -13.802 -5.035 7.397 78 HA ASP 590 HA ASP 590 -15.396 -2.701 8.088 79 HB2 ASP 590 2HB ASP 590 -14.214 -4.677 10.065 80 HB3 ASP 590 1HB ASP 590 -14.900 -3.123 10.508 81 H ASN 591 H ASN 591 -13.758 -1.739 10.065 82 HA ASN 591 HA ASN 591 -11.585 -0.750 8.552 83 HB2 ASN 591 2HB ASN 591 -12.379 -0.339 11.437 84 HB3 ASN 591 1HB ASN 591 -10.980 0.442 10.706 85 HD21 ASN 591 2HD ASN 591 -14.117 2.555 10.531 86 H CYS 592 H CYS 592 -9.774 -1.632 8.209 87 HA CYS 592 HA CYS 592 -7.772 -2.621 8.427 88 HB2 CYS 592 2HB CYS 592 -8.386 -2.655 11.368 89 HB3 CYS 592 1HB CYS 592 -6.823 -3.082 10.666 90 H THR 593 H THR 593 -10.549 -4.207 8.874 91 HA THR 593 HA THR 593 -9.198 -6.786 8.846 92 HB THR 593 HB THR 593 -10.981 -7.700 10.369 93 HG1 THR 593 1HG THR 593 -11.414 -4.942 10.873 94 HG21 THR 593 2HG THR 593 -9.961 -6.919 12.461 95 H VAL 594 H VAL 594 -10.227 -8.230 7.568 96 HA VAL 594 HA VAL 594 -12.875 -7.504 6.682 97 HB VAL 594 HB VAL 594 -11.387 -6.845 4.871 98 HG13 VAL 594 1HG VAL 594 -10.465 -9.704 4.812 99 HG21 VAL 594 2HG VAL 594 -13.601 -7.668 4.288 100 H PHE 595 H PHE 595 -14.234 -9.016 7.330 101 HA PHE 595 HA PHE 595 -13.269 -11.726 6.976 102 HB2 PHE 595 2HB PHE 595 -14.117 -11.499 9.257 103 HB3 PHE 595 1HB PHE 595 -15.636 -10.824 8.654 104 HD1 PHE 595 2HD PHE 595 -13.589 -13.786 7.691 105 HD2 PHE 595 1HD PHE 595 -17.385 -12.345 8.942 106 HE1 PHE 595 2HE PHE 595 -14.487 -16.012 7.395 107 HE2 PHE 595 1HE PHE 595 -18.319 -14.607 8.659 108 HZ PHE 595 HZ PHE 595 -16.865 -16.453 7.894 109 H ASP 596 H ASP 596 -13.907 -12.868 5.451 110 HA ASP 596 HA ASP 596 -16.090 -11.813 3.842 111 HB2 ASP 596 2HB ASP 596 -13.940 -11.749 2.745 112 HB3 ASP 596 1HB ASP 596 -13.724 -13.460 3.065 113 H SER 597 H SER 597 -17.831 -12.850 3.726 114 HA SER 597 HA SER 597 -18.180 -15.323 4.974 115 HB2 SER 597 2HB SER 597 -20.521 -15.063 4.018 116 HB3 SER 597 1HB SER 597 -19.959 -13.796 5.109 117 HG SER 597 HG SER 597 -20.944 -12.943 3.263 118 H GLN 598 H GLN 598 -17.518 -14.443 1.556 119 HA GLN 598 HA GLN 598 -18.385 -17.019 0.707 120 HB2 GLN 598 2HB GLN 598 -17.363 -16.401 -1.445 121 HB3 GLN 598 1HB GLN 598 -18.637 -15.276 -0.960 122 HG2 GLN 598 2HG GLN 598 -16.936 -13.679 -0.317 123 HG3 GLN 598 1HG GLN 598 -15.686 -14.868 -0.595 124 HE21 GLN 598 2HE GLN 598 -16.015 -12.404 -3.373 125 H ALA 599 H ALA 599 -15.269 -15.414 1.310 126 HA ALA 599 HA ALA 599 -13.760 -17.684 0.474 127 HB1 ALA 599 1HB ALA 599 -11.844 -16.390 1.244 128 HB2 ALA 599 2HB ALA 599 -12.913 -15.402 2.202 129 HB3 ALA 599 3HB ALA 599 -13.007 -15.301 0.437 130 H GLY 600 H GLY 600 -15.254 -16.645 3.399 131 HA2 GLY 600 2HA GLY 600 -15.482 -17.698 5.437 132 HA3 GLY 600 1HA GLY 600 -14.738 -19.120 4.711 133 H PHE 601 H PHE 601 -13.159 -16.033 4.702 134 HA PHE 601 HA PHE 601 -11.355 -16.925 6.830 135 HB2 PHE 601 2HB PHE 601 -10.543 -15.735 4.179 136 HB3 PHE 601 1HB PHE 601 -9.484 -15.814 5.569 137 HD1 PHE 601 2HD PHE 601 -8.859 -18.100 6.457 138 HD2 PHE 601 1HD PHE 601 -10.750 -17.507 2.703 139 HE1 PHE 601 2HE PHE 601 -8.061 -20.300 5.716 140 HE2 PHE 601 1HE PHE 601 -9.963 -19.714 1.953 141 HZ PHE 601 HZ PHE 601 -8.618 -21.106 3.454 142 H SER 602 H SER 602 -10.617 -15.371 8.135 143 HA SER 602 HA SER 602 -11.591 -12.649 7.653 144 HB2 SER 602 2HB SER 602 -11.537 -12.430 10.148 145 HB3 SER 602 1HB SER 602 -12.671 -13.659 9.589 146 HG SER 602 HG SER 602 -10.193 -14.698 10.002 147 H PHE 603 H PHE 603 -10.059 -11.107 7.519 148 HA PHE 603 HA PHE 603 -7.358 -11.854 8.347 149 HB2 PHE 603 2HB PHE 603 -8.189 -10.562 5.757 150 HB3 PHE 603 1HB PHE 603 -6.544 -10.458 6.366 151 HD1 PHE 603 1HD PHE 603 -5.123 -12.400 6.429 152 HD2 PHE 603 2HD PHE 603 -9.090 -12.724 4.817 153 HE1 PHE 603 1HE PHE 603 -4.548 -14.544 5.383 154 HE2 PHE 603 2HE PHE 603 -8.480 -14.842 3.803 155 HZ PHE 603 HZ PHE 603 -6.228 -15.762 4.074 156 H ASP 604 H ASP 604 -6.467 -10.538 9.728 157 HA ASP 604 HA ASP 604 -7.292 -7.679 9.813 158 HB2 ASP 604 2HB ASP 604 -6.481 -7.640 12.137 159 HB3 ASP 604 1HB ASP 604 -7.718 -8.865 11.966 160 H LEU 605 H LEU 605 -6.087 -6.446 8.811 161 HA LEU 605 HA LEU 605 -3.261 -7.131 8.694 162 HB2 LEU 605 2HB LEU 605 -4.830 -5.374 6.802 163 HB3 LEU 605 1HB LEU 605 -3.109 -5.678 6.685 164 HG LEU 605 HG LEU 605 -5.320 -7.692 6.315 165 HD13 LEU 605 1HD LEU 605 -4.443 -7.881 4.066 166 HD21 LEU 605 2HD LEU 605 -3.543 -9.311 5.775 167 H THR 606 H THR 606 -4.813 -5.870 10.674 168 HA THR 606 HA THR 606 -4.500 -3.217 11.116 169 HB THR 606 HB THR 606 -4.279 -5.364 13.210 170 HG1 THR 606 1HG THR 606 -6.742 -5.198 12.837 171 HG21 THR 606 2HG THR 606 -4.393 -2.966 13.825 172 HA PRO 607 HA PRO 607 -0.126 -4.423 13.251 173 HB2 PRO 607 2HB PRO 607 1.107 -6.571 12.016 174 HB3 PRO 607 1HB PRO 607 0.240 -6.660 13.555 175 HG2 PRO 607 2HG PRO 607 -0.711 -7.346 10.808 176 HG3 PRO 607 1HG PRO 607 -0.968 -8.210 12.331 177 HD2 PRO 607 2HD PRO 607 -2.896 -6.680 11.298 178 HD3 PRO 607 1HD PRO 607 -2.589 -6.698 13.046 179 H LEU 608 H LEU 608 -1.015 -4.627 9.948 180 HA LEU 608 HA LEU 608 1.539 -4.026 8.814 181 HB2 LEU 608 2HB LEU 608 -1.243 -4.154 7.740 182 HB3 LEU 608 1HB LEU 608 0.080 -3.564 6.724 183 HG LEU 608 HG LEU 608 -0.426 -5.857 6.175 184 HD13 LEU 608 1HD LEU 608 1.891 -5.247 6.119 185 HD21 LEU 608 2HD LEU 608 -0.288 -7.661 7.765 186 H THR 609 H THR 609 -0.601 -2.130 10.497 187 HA THR 609 HA THR 609 -0.260 0.327 8.973 188 HB THR 609 HB THR 609 -1.069 -0.030 11.882 189 HG1 THR 609 1HG THR 609 -2.720 0.132 9.569 190 HG21 THR 609 2HG THR 609 -1.667 2.136 9.873 191 H LYS 610 H LYS 610 1.212 1.813 9.084 192 HA LYS 610 HA LYS 610 3.230 1.675 11.218 193 HB2 LYS 610 2HB LYS 610 3.665 2.230 8.279 194 HB3 LYS 610 1HB LYS 610 4.846 2.577 9.517 195 HG2 LYS 610 2HG LYS 610 4.982 0.207 10.035 196 HG3 LYS 610 1HG LYS 610 3.766 -0.134 8.806 197 HD2 LYS 610 2HD LYS 610 5.870 -0.630 7.768 198 HD3 LYS 610 1HD LYS 610 5.331 0.936 7.166 199 HE2 LYS 610 2HE LYS 610 7.273 0.725 9.435 200 HE3 LYS 610 1HE LYS 610 7.818 0.642 7.770 201 HZ1 LYS 610 3HZ LYS 610 6.510 2.957 9.137 202 HZ2 LYS 610 1HZ LYS 610 6.805 2.882 7.453 203 HZ3 LYS 610 2HZ LYS 610 8.068 2.820 8.539 204 H LYS 611 H LYS 611 3.908 3.728 11.944 205 HA LYS 611 HA LYS 611 2.043 5.892 11.625 206 HB2 LYS 611 2HB LYS 611 3.641 5.460 13.576 207 HB3 LYS 611 1HB LYS 611 4.889 6.092 12.537 208 HG2 LYS 611 2HG LYS 611 3.693 8.205 12.279 209 HG3 LYS 611 1HG LYS 611 2.430 7.626 13.350 210 HD2 LYS 611 2HD LYS 611 3.796 9.039 14.666 211 HD3 LYS 611 1HD LYS 611 4.236 7.401 15.124 212 HE2 LYS 611 2HE LYS 611 5.732 9.032 13.106 213 HE3 LYS 611 1HE LYS 611 6.148 9.052 14.818 214 HZ1 LYS 611 3HZ LYS 611 7.597 7.600 13.682 215 HZ2 LYS 611 1HZ LYS 611 6.451 6.766 12.877 216 HZ3 LYS 611 2HZ LYS 611 6.606 6.604 14.567 217 H ASP 612 H ASP 612 5.159 5.096 10.469 218 HA ASP 612 HA ASP 612 5.480 7.548 8.979 219 HB2 ASP 612 2HB ASP 612 7.219 5.106 9.199 220 HB3 ASP 612 1HB ASP 612 7.683 6.607 8.389 221 H ALA 613 H ALA 613 4.078 4.630 8.569 222 HA ALA 613 HA ALA 613 3.017 3.592 6.857 223 HB1 ALA 613 1HB ALA 613 2.236 5.831 6.471 224 HB2 ALA 613 2HB ALA 613 2.416 4.946 4.947 225 HB3 ALA 613 3HB ALA 613 3.622 6.146 5.434 226 H TYR 614 H TYR 614 3.435 3.678 4.133 227 HA TYR 614 HA TYR 614 6.082 2.453 3.884 228 HB2 TYR 614 2HB TYR 614 3.440 1.827 2.554 229 HB3 TYR 614 1HB TYR 614 4.971 1.051 2.167 230 HD1 TYR 614 2HD TYR 614 2.576 1.589 5.035 231 HD2 TYR 614 1HD TYR 614 5.609 -0.872 3.305 232 HE1 TYR 614 2HE TYR 614 2.185 -0.065 6.725 233 HE2 TYR 614 1HE TYR 614 5.217 -2.555 5.008 234 HH TYR 614 HH TYR 614 2.473 -2.324 7.095 235 H LYS 615 H LYS 615 7.182 2.938 1.943 236 HA LYS 615 HA LYS 615 5.885 4.948 0.254 237 HB2 LYS 615 2HB LYS 615 7.622 6.066 1.527 238 HB3 LYS 615 1HB LYS 615 8.843 4.929 1.026 239 HG2 LYS 615 2HG LYS 615 8.163 5.603 -1.361 240 HG3 LYS 615 1HG LYS 615 7.377 6.984 -0.600 241 HD2 LYS 615 2HD LYS 615 10.269 6.186 -0.340 242 HD3 LYS 615 1HD LYS 615 9.702 7.494 -1.390 243 HE2 LYS 615 2HE LYS 615 8.892 8.606 0.712 244 HE3 LYS 615 1HE LYS 615 9.688 7.322 1.623 245 HZ1 LYS 615 3HZ LYS 615 11.056 9.281 1.431 246 HZ2 LYS 615 1HZ LYS 615 11.014 9.201 -0.246 247 HZ3 LYS 615 2HZ LYS 615 11.798 7.987 0.625 248 H VAL 616 H VAL 616 5.785 4.435 -1.749 249 HA VAL 616 HA VAL 616 7.401 2.234 -2.817 250 HB VAL 616 HB VAL 616 5.071 3.692 -4.046 251 HG13 VAL 616 1HG VAL 616 6.357 1.087 -4.774 252 HG21 VAL 616 2HG VAL 616 3.664 1.774 -3.438 253 H GLU 617 H GLU 617 8.806 2.735 -4.478 254 HA GLU 617 HA GLU 617 9.058 5.612 -5.075 255 HB2 GLU 617 2HB GLU 617 11.202 3.508 -5.007 256 HB3 GLU 617 1HB GLU 617 11.433 5.162 -5.533 257 HG2 GLU 617 2HG GLU 617 10.865 5.942 -3.290 258 HG3 GLU 617 1HG GLU 617 10.664 4.260 -2.774 259 H THR 618 H THR 618 9.513 6.238 -7.142 260 HA THR 618 HA THR 618 9.674 4.118 -9.157 261 HB THR 618 HB THR 618 8.435 5.619 -10.741 262 HG1 THR 618 1HG THR 618 7.936 7.170 -8.451 263 HG21 THR 618 2HG THR 618 7.113 3.952 -9.471 264 H ASP 619 H ASP 619 10.295 5.984 -11.236 265 HA ASP 619 HA ASP 619 12.977 6.546 -10.501 266 HB2 ASP 619 2HB ASP 619 11.431 7.564 -12.896 267 HB3 ASP 619 1HB ASP 619 13.149 7.786 -12.647 268 H LYS 620 H LYS 620 10.098 8.587 -10.790 269 HA LYS 620 HA LYS 620 11.638 10.804 -9.519 270 HB2 LYS 620 2HB LYS 620 9.704 11.057 -11.802 271 HB3 LYS 620 1HB LYS 620 10.562 12.372 -11.014 272 HG2 LYS 620 2HG LYS 620 12.672 11.520 -11.835 273 HG3 LYS 620 1HG LYS 620 11.853 10.140 -12.570 274 HD2 LYS 620 2HD LYS 620 11.432 13.041 -13.289 275 HD3 LYS 620 1HD LYS 620 12.376 11.883 -14.220 276 HE2 LYS 620 2HE LYS 620 9.392 11.757 -13.689 277 HE3 LYS 620 1HE LYS 620 10.176 12.165 -15.209 278 HZ1 LYS 620 3HZ LYS 620 10.330 9.516 -13.857 279 HZ2 LYS 620 1HZ LYS 620 11.090 9.927 -15.306 280 HZ3 LYS 620 2HZ LYS 620 9.414 9.899 -15.211 281 H TYR 621 H TYR 621 9.072 8.856 -9.061 282 HA TYR 621 HA TYR 621 7.724 10.948 -7.495 283 HB2 TYR 621 2HB TYR 621 6.400 8.804 -9.199 284 HB3 TYR 621 1HB TYR 621 5.548 9.770 -8.011 285 HD1 TYR 621 1HD TYR 621 7.887 10.438 -10.862 286 HD2 TYR 621 2HD TYR 621 4.233 11.435 -8.943 287 HE1 TYR 621 1HE TYR 621 7.479 12.105 -12.579 288 HE2 TYR 621 2HE TYR 621 3.791 13.130 -10.686 289 HH TYR 621 HH TYR 621 5.048 14.464 -12.287 290 H GLU 622 H GLU 622 6.791 10.180 -5.552 291 HA GLU 622 HA GLU 622 7.364 7.373 -4.994 292 HB2 GLU 622 2HB GLU 622 7.813 7.841 -2.685 293 HB3 GLU 622 1HB GLU 622 8.842 8.914 -3.615 294 HG2 GLU 622 2HG GLU 622 7.414 10.779 -3.159 295 HG3 GLU 622 1HG GLU 622 6.197 9.731 -2.463 296 H PHE 623 H PHE 623 5.792 6.360 -3.911 297 HA PHE 623 HA PHE 623 3.351 7.946 -3.512 298 HB2 PHE 623 2HB PHE 623 3.583 4.963 -4.083 299 HB3 PHE 623 1HB PHE 623 2.087 5.826 -3.791 300 HD1 PHE 623 1HD PHE 623 4.987 5.730 -6.152 301 HD2 PHE 623 2HD PHE 623 0.871 6.683 -5.602 302 HE1 PHE 623 1HE PHE 623 4.761 6.170 -8.549 303 HE2 PHE 623 2HE PHE 623 0.657 7.120 -7.998 304 HZ PHE 623 HZ PHE 623 2.597 6.864 -9.476 305 H HIS 624 H HIS 624 2.971 8.203 -1.399 306 HA HIS 624 HA HIS 624 4.154 6.244 0.437 307 HB2 HIS 624 2HB HIS 624 4.443 8.989 0.361 308 HB3 HIS 624 1HB HIS 624 3.152 8.774 1.535 309 HD1 HIS 624 1HD HIS 624 6.729 8.671 1.131 310 HD2 HIS 624 2HD HIS 624 3.945 7.046 3.746 311 HE1 HIS 624 1HE HIS 624 8.062 7.828 3.075 312 HE2 HIS 624 2HE HIS 624 6.339 7.065 4.772 313 H ILE 625 H ILE 625 2.727 4.971 1.510 314 HA ILE 625 HA ILE 625 -0.044 5.859 1.785 315 HB ILE 625 HB ILE 625 -0.935 3.762 0.910 316 HG12 ILE 625 1HG ILE 625 1.947 3.073 0.418 317 HG23 ILE 625 2HG ILE 625 -0.652 5.587 -0.708 318 HD11 ILE 625 1HD ILE 625 1.174 0.944 -0.539 319 H ASN 626 H ASN 626 -1.114 4.701 3.347 320 HA ASN 626 HA ASN 626 0.523 2.917 5.049 321 HB2 ASN 626 2HB ASN 626 0.284 5.181 6.068 322 HB3 ASN 626 1HB ASN 626 -1.459 4.989 6.024 323 HD21 ASN 626 2HD ASN 626 -1.209 3.923 9.307 324 H VAL 627 H VAL 627 -0.697 1.358 6.238 325 HA VAL 627 HA VAL 627 -3.235 0.524 4.996 326 HB VAL 627 HB VAL 627 -1.539 -0.840 7.119 327 HG13 VAL 627 1HG VAL 627 -3.891 -1.493 7.203 328 HG21 VAL 627 2HG VAL 627 -1.745 -1.359 4.166 329 H CYS 628 H CYS 628 -4.904 1.459 5.736 330 HA CYS 628 HA CYS 628 -6.568 2.083 7.077 331 HB2 CYS 628 2HB CYS 628 -4.802 1.136 9.338 332 HB3 CYS 628 1HB CYS 628 -6.399 1.786 9.603 333 H GLY 629 H GLY 629 -7.134 3.952 7.824 334 HA2 GLY 629 2HA GLY 629 -7.082 6.080 8.789 335 HA3 GLY 629 1HA GLY 629 -5.566 5.640 9.539 336 HA PRO 630 HA PRO 630 -4.297 8.632 6.466 337 HB2 PRO 630 2HB PRO 630 -3.138 10.306 8.104 338 HB3 PRO 630 1HB PRO 630 -4.906 10.218 8.001 339 HG2 PRO 630 2HG PRO 630 -3.084 8.986 10.069 340 HG3 PRO 630 1HG PRO 630 -4.624 9.864 10.331 341 HD2 PRO 630 2HD PRO 630 -4.213 7.141 10.229 342 HD3 PRO 630 1HD PRO 630 -5.775 7.954 9.986 343 H VAL 631 H VAL 631 -2.097 9.428 6.066 344 HA VAL 631 HA VAL 631 -0.032 7.550 6.947 345 HB VAL 631 HB VAL 631 -0.419 7.567 4.513 346 HG13 VAL 631 1HG VAL 631 0.275 10.457 4.588 347 HG21 VAL 631 2HG VAL 631 2.173 8.864 5.277 348 H SER 632 H SER 632 1.628 8.371 8.209 349 HA SER 632 HA SER 632 1.548 11.227 8.548 350 HB2 SER 632 2HB SER 632 1.329 9.935 10.607 351 HB3 SER 632 1HB SER 632 2.870 9.129 10.304 352 HG SER 632 HG SER 632 2.487 11.914 10.660 353 H VAL 633 H VAL 633 2.452 11.627 6.631 354 HA VAL 633 HA VAL 633 5.339 11.591 6.772 355 HB VAL 633 HB VAL 633 4.612 9.877 5.107 356 HG13 VAL 633 1HG VAL 633 2.595 10.724 4.330 357 HG21 VAL 633 2HG VAL 633 6.777 10.874 4.834 358 H GLY 634 H GLY 634 6.290 13.549 6.126 359 HA2 GLY 634 2HA GLY 634 4.707 15.829 6.475 360 HA3 GLY 634 1HA GLY 634 6.371 15.821 5.916 361 H ALA 635 H ALA 635 5.360 14.061 3.648 362 HA ALA 635 HA ALA 635 4.797 16.224 1.840 363 HB1 ALA 635 1HB ALA 635 6.369 14.452 1.223 364 HB2 ALA 635 2HB ALA 635 5.029 14.564 0.081 365 HB3 ALA 635 3HB ALA 635 5.058 13.273 1.282 366 H CYS 636 H CYS 636 2.817 14.176 3.732 367 HA CYS 636 HA CYS 636 0.579 14.761 1.905 368 HB2 CYS 636 2HB CYS 636 1.193 12.412 1.759 369 HB3 CYS 636 1HB CYS 636 1.061 12.245 3.488 370 HA PRO 637 HA PRO 637 -1.290 16.530 5.531 371 HB2 PRO 637 2HB PRO 637 -3.902 16.425 4.778 372 HB3 PRO 637 1HB PRO 637 -2.767 17.619 4.128 373 HG2 PRO 637 2HG PRO 637 -3.705 15.036 2.938 374 HG3 PRO 637 1HG PRO 637 -3.496 16.614 2.156 375 HD2 PRO 637 2HD PRO 637 -1.672 14.642 1.921 376 HD3 PRO 637 1HD PRO 637 -1.209 16.357 1.965 377 HA PRO 638 HA PRO 638 -2.537 13.087 8.124 378 HB2 PRO 638 2HB PRO 638 -4.277 14.988 9.577 379 HB3 PRO 638 1HB PRO 638 -2.911 14.030 10.160 380 HG2 PRO 638 2HG PRO 638 -2.708 16.678 9.823 381 HG3 PRO 638 1HG PRO 638 -1.353 15.585 9.495 382 HD2 PRO 638 2HD PRO 638 -3.205 16.934 7.570 383 HD3 PRO 638 1HD PRO 638 -1.455 16.642 7.470 384 H ASP 639 H ASP 639 -4.782 14.913 6.334 385 HA ASP 639 HA ASP 639 -7.094 13.336 7.090 386 HB2 ASP 639 2HB ASP 639 -6.781 15.374 4.880 387 HB3 ASP 639 1HB ASP 639 -8.275 14.531 5.266 388 H SER 640 H SER 640 -4.458 12.738 5.145 389 HA SER 640 HA SER 640 -6.086 11.003 3.474 390 HB2 SER 640 2HB SER 640 -3.563 12.452 2.695 391 HB3 SER 640 1HB SER 640 -4.472 11.340 1.668 392 HG SER 640 HG SER 640 -5.263 13.239 1.113 393 H GLY 641 H GLY 641 -5.302 9.008 2.928 394 HA2 GLY 641 2HA GLY 641 -3.250 7.983 4.764 395 HA3 GLY 641 1HA GLY 641 -4.542 7.026 4.049 396 H ALA 642 H ALA 642 -3.832 8.686 1.483 397 HA ALA 642 HA ALA 642 -1.321 7.391 0.802 398 HB1 ALA 642 1HB ALA 642 -2.958 5.753 0.133 399 HB2 ALA 642 2HB ALA 642 -2.312 6.531 -1.300 400 HB3 ALA 642 3HB ALA 642 -3.904 6.997 -0.715 401 H CYS 643 H CYS 643 -0.088 8.802 -0.160 402 HA CYS 643 HA CYS 643 -1.205 10.828 -1.934 403 HB2 CYS 643 2HB CYS 643 0.560 11.332 0.402 404 HB3 CYS 643 1HB CYS 643 0.426 12.499 -0.903 405 H GLN 644 H GLN 644 0.010 11.159 -3.687 406 HA GLN 644 HA GLN 644 2.715 10.032 -3.654 407 HB2 GLN 644 2HB GLN 644 2.656 10.315 -6.034 408 HB3 GLN 644 1HB GLN 644 1.528 9.029 -5.512 409 HG2 GLN 644 2HG GLN 644 -0.278 10.675 -5.834 410 HG3 GLN 644 1HG GLN 644 0.931 11.866 -6.287 411 HE21 GLN 644 2HE GLN 644 -0.312 9.101 -8.938 412 H VAL 645 H VAL 645 4.391 11.268 -4.316 413 HA VAL 645 HA VAL 645 3.826 13.999 -5.028 414 HB VAL 645 HB VAL 645 4.250 14.089 -2.586 415 HG13 VAL 645 1HG VAL 645 5.566 12.100 -2.312 416 HG21 VAL 645 2HG VAL 645 5.009 15.976 -3.945 417 H SER 646 H SER 646 5.144 14.772 -6.546 418 HA SER 646 HA SER 646 6.952 12.909 -7.714 419 HB2 SER 646 2HB SER 646 7.353 14.775 -9.360 420 HB3 SER 646 1HB SER 646 5.668 14.276 -9.231 421 HG SER 646 HG SER 646 5.575 16.353 -9.176 422 H ARG 647 H ARG 647 8.909 12.653 -6.994 423 HA ARG 647 HA ARG 647 10.016 14.495 -5.153 424 HB2 ARG 647 2HB ARG 647 11.855 12.904 -4.891 425 HB3 ARG 647 1HB ARG 647 10.345 12.039 -5.023 426 HG2 ARG 647 2HG ARG 647 10.979 11.695 -7.476 427 HG3 ARG 647 1HG ARG 647 12.614 12.111 -6.936 428 HD2 ARG 647 2HD ARG 647 12.190 10.314 -5.023 429 HD3 ARG 647 1HD ARG 647 10.832 9.911 -5.993 430 HE ARG 647 HE ARG 647 12.828 9.685 -7.764 431 HH12 ARG 647 1HH ARG 647 13.163 7.018 -4.681 432 HH21 ARG 647 2HH ARG 647 14.203 6.595 -6.846 433 H SER 648 H SER 648 9.991 14.220 -8.461 434 HA SER 648 HA SER 648 12.233 15.896 -9.031 435 HB2 SER 648 2HB SER 648 9.951 14.808 -10.593 436 HB3 SER 648 1HB SER 648 11.095 15.834 -11.402 437 HG SER 648 HG SER 648 12.616 14.205 -10.209 438 H ASP 649 H ASP 649 8.642 16.493 -8.963 439 HA ASP 649 HA ASP 649 9.253 19.330 -9.453 440 HB2 ASP 649 2HB ASP 649 6.647 17.869 -9.788 441 HB3 ASP 649 1HB ASP 649 6.872 19.588 -10.064 442 H ARG 650 H ARG 650 8.108 17.263 -7.127 443 HA ARG 650 HA ARG 650 7.488 17.457 -5.017 444 HB2 ARG 650 2HB ARG 650 8.434 20.312 -5.305 445 HB3 ARG 650 1HB ARG 650 7.840 19.671 -3.775 446 HG2 ARG 650 2HG ARG 650 10.157 18.529 -5.342 447 HG3 ARG 650 1HG ARG 650 10.307 19.583 -3.935 448 HD2 ARG 650 2HD ARG 650 9.303 17.980 -2.510 449 HD3 ARG 650 1HD ARG 650 8.789 16.957 -3.836 450 HE ARG 650 HE ARG 650 11.576 17.232 -3.837 451 HH12 ARG 650 1HH ARG 650 9.892 14.370 -1.507 452 HH21 ARG 650 2HH ARG 650 12.064 14.119 -2.249 453 H LYS 651 H LYS 651 5.794 17.751 -7.141 454 HA LYS 651 HA LYS 651 3.457 19.163 -6.131 455 HB2 LYS 651 2HB LYS 651 4.073 17.413 -8.497 456 HB3 LYS 651 1HB LYS 651 2.443 17.907 -8.097 457 HG2 LYS 651 2HG LYS 651 4.655 19.826 -8.541 458 HG3 LYS 651 1HG LYS 651 3.720 19.172 -9.884 459 HD2 LYS 651 2HD LYS 651 1.667 19.931 -8.575 460 HD3 LYS 651 1HD LYS 651 2.780 20.840 -7.543 461 HE2 LYS 651 2HE LYS 651 3.607 21.994 -9.592 462 HE3 LYS 651 1HE LYS 651 2.380 21.069 -10.478 463 HZ1 LYS 651 3HZ LYS 651 1.738 22.986 -8.303 464 HZ2 LYS 651 1HZ LYS 651 0.634 22.188 -9.320 465 HZ3 LYS 651 2HZ LYS 651 1.667 23.353 -9.940 466 H SER 652 H SER 652 1.865 18.039 -4.983 467 HA SER 652 HA SER 652 2.069 15.153 -5.052 468 HB2 SER 652 2HB SER 652 1.569 15.006 -2.669 469 HB3 SER 652 1HB SER 652 3.129 15.710 -3.006 470 HG SER 652 HG SER 652 2.064 17.810 -2.833 471 H TRP 653 H TRP 653 0.227 14.036 -4.732 472 HA TRP 653 HA TRP 653 -2.224 15.613 -4.981 473 HB2 TRP 653 2HB TRP 653 -1.449 13.183 -6.608 474 HB3 TRP 653 1HB TRP 653 -2.998 14.003 -6.711 475 HD1 TRP 653 HD TRP 653 -3.007 16.413 -7.996 476 HE1 TRP 653 1HE TRP 653 -1.316 17.474 -9.682 477 HE3 TRP 653 3HE TRP 653 1.000 13.385 -7.203 478 HZ2 TRP 653 2HZ TRP 653 1.306 17.052 -10.536 479 HZ3 TRP 653 3HZ TRP 653 3.050 13.740 -8.451 480 HH2 TRP 653 HH TRP 653 3.209 15.567 -10.111 481 H ASN 654 H ASN 654 -4.121 14.398 -4.382 482 HA ASN 654 HA ASN 654 -3.609 12.679 -2.066 483 HB2 ASN 654 2HB ASN 654 -5.177 14.761 -2.060 484 HB3 ASN 654 1HB ASN 654 -6.184 13.819 -3.105 485 HD21 ASN 654 2HD ASN 654 -7.267 13.628 0.443 486 H LEU 655 H LEU 655 -3.901 10.508 -2.264 487 HA LEU 655 HA LEU 655 -5.288 9.511 -4.661 488 HB2 LEU 655 2HB LEU 655 -3.229 8.153 -2.945 489 HB3 LEU 655 1HB LEU 655 -3.912 7.537 -4.433 490 HG LEU 655 HG LEU 655 -2.068 9.887 -4.122 491 HD13 LEU 655 1HD LEU 655 -0.977 7.750 -3.921 492 HD21 LEU 655 2HD LEU 655 -3.367 8.788 -6.609 493 H GLY 656 H GLY 656 -6.057 10.166 -1.686 494 HA2 GLY 656 2HA GLY 656 -8.250 8.772 -1.357 495 HA3 GLY 656 1HA GLY 656 -7.038 7.565 -0.929 496 H ARG 657 H ARG 657 -9.085 9.719 0.329 497 HA ARG 657 HA ARG 657 -7.496 10.924 2.308 498 HB2 ARG 657 2HB ARG 657 -10.461 10.385 2.616 499 HB3 ARG 657 1HB ARG 657 -9.483 11.733 3.206 500 HG2 ARG 657 2HG ARG 657 -9.194 12.550 0.930 501 HG3 ARG 657 1HG ARG 657 -10.184 11.225 0.330 502 HD2 ARG 657 2HD ARG 657 -12.024 12.085 1.825 503 HD3 ARG 657 1HD ARG 657 -11.022 13.512 2.083 504 HE ARG 657 HE ARG 657 -12.175 12.657 -0.487 505 HH12 ARG 657 1HH ARG 657 -11.080 16.454 0.370 506 HH21 ARG 657 2HH ARG 657 -12.244 15.937 -1.652 507 H SER 658 H SER 658 -8.073 10.332 4.753 508 HA SER 658 HA SER 658 -7.128 7.769 5.238 509 HB2 SER 658 2HB SER 658 -7.855 8.269 7.616 510 HB3 SER 658 1HB SER 658 -6.777 9.452 6.866 511 HG SER 658 HG SER 658 -8.483 10.480 7.902 512 H ASN 659 H ASN 659 -8.034 5.811 5.659 513 HA ASN 659 HA ASN 659 -10.817 5.376 6.173 514 HB2 ASN 659 2HB ASN 659 -10.832 5.921 3.723 515 HB3 ASN 659 1HB ASN 659 -9.703 4.601 3.467 516 HD21 ASN 659 2HD ASN 659 -12.490 2.748 2.612 517 H ALA 660 H ALA 660 -11.175 2.939 6.302 518 HA ALA 660 HA ALA 660 -8.662 1.447 6.399 519 HB1 ALA 660 1HB ALA 660 -9.139 0.610 8.639 520 HB2 ALA 660 2HB ALA 660 -10.585 1.606 8.715 521 HB3 ALA 660 3HB ALA 660 -8.994 2.370 8.653 522 H LYS 661 H LYS 661 -11.225 1.473 4.778 523 HA LYS 661 HA LYS 661 -12.557 -0.947 5.623 524 HB2 LYS 661 2HB LYS 661 -13.049 0.638 3.076 525 HB3 LYS 661 1HB LYS 661 -14.072 -0.604 3.787 526 HG2 LYS 661 2HG LYS 661 -13.489 2.054 4.994 527 HG3 LYS 661 1HG LYS 661 -14.974 1.551 4.185 528 HD2 LYS 661 2HD LYS 661 -15.243 -0.237 5.897 529 HD3 LYS 661 1HD LYS 661 -13.778 0.413 6.670 530 HE2 LYS 661 2HE LYS 661 -16.227 1.974 6.118 531 HE3 LYS 661 1HE LYS 661 -15.901 1.203 7.682 532 HZ1 LYS 661 3HZ LYS 661 -15.200 3.528 7.753 533 HZ2 LYS 661 1HZ LYS 661 -14.258 3.350 6.380 534 HZ3 LYS 661 2HZ LYS 661 -13.846 2.556 7.807 535 H LEU 662 H LEU 662 -11.499 -2.762 5.354 536 HA LEU 662 HA LEU 662 -10.014 -3.208 2.920 537 HB2 LEU 662 2HB LEU 662 -10.322 -4.846 5.419 538 HB3 LEU 662 1HB LEU 662 -9.686 -5.562 3.959 539 HG LEU 662 HG LEU 662 -7.842 -3.895 4.002 540 HD13 LEU 662 1HD LEU 662 -8.843 -2.118 5.243 541 HD21 LEU 662 2HD LEU 662 -8.107 -5.627 6.438 542 H SER 663 H SER 663 -10.521 -4.559 1.309 543 HA SER 663 HA SER 663 -13.209 -5.679 1.392 544 HB2 SER 663 2HB SER 663 -11.694 -4.491 -0.938 545 HB3 SER 663 1HB SER 663 -13.299 -5.217 -1.010 546 HG SER 663 HG SER 663 -12.875 -3.181 0.844 547 H TYR 664 H TYR 664 -13.411 -7.686 0.439 548 HA TYR 664 HA TYR 664 -10.864 -9.013 -0.154 549 HB2 TYR 664 2HB TYR 664 -12.283 -9.755 1.894 550 HB3 TYR 664 1HB TYR 664 -13.411 -10.380 0.712 551 HD1 TYR 664 2HD TYR 664 -11.844 -11.749 -1.245 552 HD2 TYR 664 1HD TYR 664 -11.155 -11.415 2.921 553 HE1 TYR 664 2HE TYR 664 -10.558 -13.843 -1.313 554 HE2 TYR 664 1HE TYR 664 -9.844 -13.516 2.875 555 HH TYR 664 HH TYR 664 -8.757 -14.886 0.006 556 H TYR 665 H TYR 665 -10.693 -9.375 -2.252 557 HA TYR 665 HA TYR 665 -13.077 -9.892 -3.858 558 HB2 TYR 665 2HB TYR 665 -10.324 -8.972 -4.499 559 HB3 TYR 665 1HB TYR 665 -11.242 -9.855 -5.709 560 HD1 TYR 665 2HD TYR 665 -13.255 -8.960 -6.614 561 HD2 TYR 665 1HD TYR 665 -10.909 -6.698 -3.914 562 HE1 TYR 665 2HE TYR 665 -14.405 -6.993 -7.332 563 HE2 TYR 665 1HE TYR 665 -12.055 -4.651 -4.625 564 HH TYR 665 HH TYR 665 -14.903 -4.661 -6.534 565 H ASP 666 H ASP 666 -13.215 -11.901 -4.833 566 HA ASP 666 HA ASP 666 -12.065 -14.090 -3.606 567 HB2 ASP 666 2HB ASP 666 -14.004 -14.326 -5.063 568 HB3 ASP 666 1HB ASP 666 -13.028 -13.918 -6.469 569 H GLY 667 H GLY 667 -10.091 -14.792 -3.518 570 HA2 GLY 667 2HA GLY 667 -8.150 -15.638 -4.771 571 HA3 GLY 667 1HA GLY 667 -8.259 -14.176 -5.742 572 H MET 668 H MET 668 -8.493 -12.155 -3.854 573 HA MET 668 HA MET 668 -6.450 -12.466 -1.867 574 HB2 MET 668 2HB MET 668 -4.916 -10.739 -2.676 575 HB3 MET 668 1HB MET 668 -4.943 -12.126 -3.754 576 HG2 MET 668 2HG MET 668 -6.328 -9.472 -4.211 577 HG3 MET 668 1HG MET 668 -4.806 -9.967 -4.937 578 HE1 MET 668 3HE MET 668 -7.220 -8.835 -6.649 579 HE2 MET 668 1HE MET 668 -7.208 -9.961 -8.008 580 HE3 MET 668 2HE MET 668 -5.686 -9.379 -7.329 581 H ILE 669 H ILE 669 -6.208 -10.722 -0.482 582 HA ILE 669 HA ILE 669 -8.604 -9.178 -0.184 583 HB ILE 669 HB ILE 669 -6.056 -9.068 1.494 584 HG12 ILE 669 1HG ILE 669 -7.457 -10.292 3.243 585 HG23 ILE 669 2HG ILE 669 -7.319 -7.028 1.716 586 HD11 ILE 669 1HD ILE 669 -7.198 -12.525 2.395 587 H GLN 670 H GLN 670 -8.837 -6.973 -0.442 588 HA GLN 670 HA GLN 670 -6.578 -5.462 -1.455 589 HB2 GLN 670 2HB GLN 670 -9.216 -5.888 -2.866 590 HB3 GLN 670 1HB GLN 670 -8.185 -4.505 -3.220 591 HG2 GLN 670 2HG GLN 670 -6.447 -5.846 -4.000 592 HG3 GLN 670 1HG GLN 670 -7.170 -7.344 -3.393 593 HE21 GLN 670 2HE GLN 670 -9.121 -7.785 -6.248 594 H LEU 671 H LEU 671 -6.704 -3.261 -1.028 595 HA LEU 671 HA LEU 671 -8.845 -2.530 0.896 596 HB2 LEU 671 2HB LEU 671 -6.472 -2.897 1.791 597 HB3 LEU 671 1HB LEU 671 -5.987 -1.488 0.880 598 HG LEU 671 HG LEU 671 -7.891 -1.561 3.241 599 HD13 LEU 671 1HD LEU 671 -6.113 -0.372 4.418 600 HD21 LEU 671 2HD LEU 671 -7.780 0.888 3.216 601 H THR 672 H THR 672 -9.938 -0.657 0.458 602 HA THR 672 HA THR 672 -9.105 0.846 -1.917 603 HB THR 672 HB THR 672 -11.881 0.409 -0.776 604 HG1 THR 672 1HG THR 672 -10.285 -1.017 -2.424 605 HG21 THR 672 2HG THR 672 -11.671 2.531 -2.014 606 H TYR 673 H TYR 673 -8.819 2.996 -1.666 607 HA TYR 673 HA TYR 673 -9.681 4.181 0.849 608 HB2 TYR 673 2HB TYR 673 -7.401 4.834 -0.917 609 HB3 TYR 673 1HB TYR 673 -8.066 6.121 0.101 610 HD1 TYR 673 1HD TYR 673 -8.198 5.730 2.532 611 HD2 TYR 673 2HD TYR 673 -5.914 3.194 0.013 612 HE1 TYR 673 1HE TYR 673 -7.003 4.904 4.484 613 HE2 TYR 673 2HE TYR 673 -4.698 2.344 1.996 614 HH TYR 673 HH TYR 673 -4.202 3.168 4.405 615 H ARG 674 H ARG 674 -9.900 6.715 0.542 616 HA ARG 674 HA ARG 674 -12.439 6.864 -0.758 617 HB2 ARG 674 2HB ARG 674 -10.881 9.000 0.665 618 HB3 ARG 674 1HB ARG 674 -12.551 9.122 0.126 619 HG2 ARG 674 2HG ARG 674 -11.496 7.163 2.159 620 HG3 ARG 674 1HG ARG 674 -12.365 8.650 2.535 621 HD2 ARG 674 2HD ARG 674 -13.472 6.303 0.971 622 HD3 ARG 674 1HD ARG 674 -13.825 6.673 2.654 623 HE ARG 674 HE ARG 674 -14.403 8.904 1.052 624 HH12 ARG 674 1HH ARG 674 -17.295 6.144 1.444 625 HH21 ARG 674 2HH ARG 674 -17.825 8.266 0.757 626 H ASP 675 H ASP 675 -12.941 9.056 -1.785 627 HA ASP 675 HA ASP 675 -12.189 9.084 -4.410 628 HB2 ASP 675 2HB ASP 675 -13.424 11.141 -4.572 629 HB3 ASP 675 1HB ASP 675 -14.213 10.123 -3.386 630 H GLY 676 H GLY 676 -10.865 10.844 -1.830 631 HA2 GLY 676 2HA GLY 676 -8.832 12.031 -1.533 632 HA3 GLY 676 1HA GLY 676 -8.275 11.193 -2.975 633 H THR 677 H THR 677 -7.549 12.599 -4.398 634 HA THR 677 HA THR 677 -9.141 14.978 -4.885 635 HB THR 677 HB THR 677 -6.139 14.668 -4.909 636 HG1 THR 677 1HG THR 677 -8.014 16.055 -3.391 637 HG21 THR 677 2HG THR 677 -7.688 17.063 -5.964 638 HA PRO 678 HA PRO 678 -9.529 13.041 -8.812 639 HB2 PRO 678 2HB PRO 678 -10.814 14.868 -10.189 640 HB3 PRO 678 1HB PRO 678 -11.539 14.103 -8.802 641 HG2 PRO 678 2HG PRO 678 -10.148 16.763 -8.811 642 HG3 PRO 678 1HG PRO 678 -11.760 16.371 -8.175 643 HD2 PRO 678 2HD PRO 678 -9.599 16.461 -6.578 644 HD3 PRO 678 1HD PRO 678 -10.909 15.286 -6.333 645 H TYR 679 H TYR 679 -8.773 13.059 -10.844 646 HA TYR 679 HA TYR 679 -6.159 13.521 -11.390 647 HB2 TYR 679 2HB TYR 679 -8.405 13.555 -13.387 648 HB3 TYR 679 1HB TYR 679 -6.723 13.606 -13.856 649 HD1 TYR 679 1HD TYR 679 -8.826 11.501 -11.545 650 HD2 TYR 679 2HD TYR 679 -5.955 11.621 -14.673 651 HE1 TYR 679 1HE TYR 679 -8.841 9.061 -11.642 652 HE2 TYR 679 2HE TYR 679 -5.957 9.171 -14.771 653 HH TYR 679 HH TYR 679 -6.509 7.277 -13.301 654 H ASN 680 H ASN 680 -8.203 15.497 -13.450 655 HA ASN 680 HA ASN 680 -7.486 18.055 -12.606 656 HB2 ASN 680 2HB ASN 680 -5.807 18.711 -14.344 657 HB3 ASN 680 1HB ASN 680 -5.167 17.567 -13.176 658 HD21 ASN 680 2HD ASN 680 -4.467 15.093 -15.522 659 H ASN 681 H ASN 681 -9.690 16.423 -13.930 660 HA ASN 681 HA ASN 681 -9.916 18.040 -16.332 661 HB2 ASN 681 2HB ASN 681 -11.422 16.358 -17.245 662 HB3 ASN 681 1HB ASN 681 -9.882 15.621 -16.832 663 HD21 ASN 681 2HD ASN 681 -11.287 13.383 -14.555 664 H GLU 682 H GLU 682 -12.200 18.493 -16.893 665 HA GLU 682 HA GLU 682 -13.282 20.183 -14.947 666 HB2 GLU 682 2HB GLU 682 -13.460 20.533 -17.339 667 HB3 GLU 682 1HB GLU 682 -14.454 19.105 -17.501 668 HG2 GLU 682 2HG GLU 682 -16.173 20.205 -16.118 669 HG3 GLU 682 1HG GLU 682 -15.166 21.659 -16.100 670 H LYS 683 H LYS 683 -14.078 16.913 -15.881 671 HA LYS 683 HA LYS 683 -16.583 16.789 -14.501 672 HB2 LYS 683 2HB LYS 683 -16.099 15.378 -16.426 673 HB3 LYS 683 1HB LYS 683 -14.780 14.622 -15.545 674 HG2 LYS 683 2HG LYS 683 -16.350 13.760 -13.923 675 HG3 LYS 683 1HG LYS 683 -17.697 14.485 -14.816 676 HD2 LYS 683 2HD LYS 683 -17.052 13.200 -16.750 677 HD3 LYS 683 1HD LYS 683 -15.757 12.441 -15.821 678 HE2 LYS 683 2HE LYS 683 -17.424 11.539 -14.244 679 HE3 LYS 683 1HE LYS 683 -18.715 12.253 -15.209 680 HZ1 LYS 683 3HZ LYS 683 -18.063 10.835 -17.050 681 HZ2 LYS 683 1HZ LYS 683 -18.439 9.930 -15.690 682 HZ3 LYS 683 2HZ LYS 683 -16.823 10.155 -16.107 683 H ARG 684 H ARG 684 -13.218 16.284 -13.679 684 HA ARG 684 HA ARG 684 -12.155 15.736 -11.865 685 HB2 ARG 684 2HB ARG 684 -14.752 16.390 -10.513 686 HB3 ARG 684 1HB ARG 684 -13.264 16.037 -9.650 687 HG2 ARG 684 2HG ARG 684 -12.185 17.949 -10.697 688 HG3 ARG 684 1HG ARG 684 -13.669 18.294 -11.598 689 HD2 ARG 684 2HD ARG 684 -14.861 18.606 -9.597 690 HD3 ARG 684 1HD ARG 684 -13.449 18.129 -8.639 691 HE ARG 684 HE ARG 684 -12.730 20.302 -10.237 692 HH12 ARG 684 1HH ARG 684 -14.787 21.170 -6.861 693 HH21 ARG 684 2HH ARG 684 -13.363 22.803 -7.862 694 H THR 685 H THR 685 -11.602 13.825 -12.183 695 HA THR 685 HA THR 685 -13.341 11.568 -11.504 696 HB THR 685 HB THR 685 -10.612 11.534 -12.804 697 HG1 THR 685 1HG THR 685 -12.769 11.179 -14.473 698 HG21 THR 685 2HG THR 685 -11.420 9.471 -11.874 699 HA PRO 686 HA PRO 686 -10.964 11.765 -7.639 700 HB2 PRO 686 2HB PRO 686 -12.062 9.579 -6.454 701 HB3 PRO 686 1HB PRO 686 -12.802 11.154 -6.433 702 HG2 PRO 686 2HG PRO 686 -13.400 8.817 -8.196 703 HG3 PRO 686 1HG PRO 686 -14.522 9.986 -7.483 704 HD2 PRO 686 2HD PRO 686 -13.767 10.079 -10.081 705 HD3 PRO 686 1HD PRO 686 -14.153 11.541 -9.153 706 H ARG 687 H ARG 687 -9.083 10.990 -7.066 707 HA ARG 687 HA ARG 687 -8.032 8.564 -8.275 708 HB2 ARG 687 2HB ARG 687 -6.807 10.751 -6.616 709 HB3 ARG 687 1HB ARG 687 -5.926 9.320 -7.095 710 HG2 ARG 687 2HG ARG 687 -6.161 9.973 -9.445 711 HG3 ARG 687 1HG ARG 687 -7.099 11.389 -8.948 712 HD2 ARG 687 2HD ARG 687 -5.227 12.238 -7.681 713 HD3 ARG 687 1HD ARG 687 -4.292 10.797 -8.043 714 HE ARG 687 HE ARG 687 -4.257 11.493 -10.348 715 HH12 ARG 687 1HH ARG 687 -4.582 15.261 -8.901 716 HH21 ARG 687 2HH ARG 687 -3.553 14.888 -11.020 717 H ALA 688 H ALA 688 -8.124 6.764 -7.165 718 HA ALA 688 HA ALA 688 -8.172 6.924 -4.228 719 HB1 ALA 688 1HB ALA 688 -9.803 5.043 -5.947 720 HB2 ALA 688 2HB ALA 688 -10.430 6.410 -5.024 721 HB3 ALA 688 3HB ALA 688 -9.735 5.025 -4.185 722 H THR 689 H THR 689 -7.441 4.890 -3.235 723 HA THR 689 HA THR 689 -5.366 3.651 -4.900 724 HB THR 689 HB THR 689 -5.392 4.155 -1.911 725 HG1 THR 689 1HG THR 689 -5.022 6.000 -3.234 726 HG21 THR 689 2HG THR 689 -3.228 2.978 -3.669 727 H LEU 690 H LEU 690 -5.314 1.451 -5.083 728 HA LEU 690 HA LEU 690 -7.019 -0.116 -3.319 729 HB2 LEU 690 2HB LEU 690 -7.940 0.202 -5.651 730 HB3 LEU 690 1HB LEU 690 -6.498 -0.554 -6.278 731 HG LEU 690 HG LEU 690 -8.398 -2.072 -6.340 732 HD13 LEU 690 1HD LEU 690 -6.434 -2.945 -4.256 733 HD21 LEU 690 2HD LEU 690 -9.473 -2.880 -4.317 734 H ILE 691 H ILE 691 -5.730 -1.340 -2.193 735 HA ILE 691 HA ILE 691 -3.054 -1.983 -3.236 736 HB ILE 691 HB ILE 691 -4.104 -2.184 -0.396 737 HG12 ILE 691 1HG ILE 691 -2.255 -0.131 -1.617 738 HG23 ILE 691 2HG ILE 691 -2.266 -3.739 -0.882 739 HD11 ILE 691 1HD ILE 691 -2.575 1.132 0.436 740 H THR 692 H THR 692 -2.629 -4.040 -3.853 741 HA THR 692 HA THR 692 -4.549 -6.134 -3.163 742 HB THR 692 HB THR 692 -3.346 -7.461 -4.872 743 HG1 THR 692 1HG THR 692 -1.826 -5.129 -5.048 744 HG21 THR 692 2HG THR 692 -4.532 -4.874 -5.874 745 H PHE 693 H PHE 693 -4.001 -7.632 -1.756 746 HA PHE 693 HA PHE 693 -1.237 -7.667 -0.825 747 HB2 PHE 693 2HB PHE 693 -3.779 -8.663 0.394 748 HB3 PHE 693 1HB PHE 693 -2.186 -8.786 1.148 749 HD1 PHE 693 2HD PHE 693 -1.052 -6.794 2.021 750 HD2 PHE 693 1HD PHE 693 -4.936 -6.522 0.311 751 HE1 PHE 693 2HE PHE 693 -1.323 -4.576 2.996 752 HE2 PHE 693 1HE PHE 693 -5.208 -4.306 1.284 753 HZ PHE 693 HZ PHE 693 -3.402 -3.329 2.632 754 H LEU 694 H LEU 694 -0.008 -9.291 -1.434 755 HA LEU 694 HA LEU 694 -1.299 -11.760 -2.379 756 HB2 LEU 694 2HB LEU 694 1.373 -10.601 -3.192 757 HB3 LEU 694 1HB LEU 694 0.718 -12.114 -3.754 758 HG LEU 694 HG LEU 694 0.526 -10.598 -5.480 759 HD13 LEU 694 1HD LEU 694 -2.195 -10.840 -4.225 760 HD21 LEU 694 2HD LEU 694 -0.810 -8.638 -3.621 761 H CYS 695 H CYS 695 -0.266 -13.707 -1.905 762 HA CYS 695 HA CYS 695 1.015 -13.784 0.667 763 HB2 CYS 695 2HB CYS 695 -0.601 -15.503 0.290 764 HB3 CYS 695 1HB CYS 695 0.141 -15.964 -1.236 765 H ASP 696 H ASP 696 3.118 -13.433 0.866 766 HA ASP 696 HA ASP 696 4.870 -15.141 -0.656 767 HB2 ASP 696 2HB ASP 696 4.827 -12.803 -1.765 768 HB3 ASP 696 1HB ASP 696 5.564 -12.222 -0.267 769 H ARG 697 H ARG 697 6.714 -15.661 0.606 770 HA ARG 697 HA ARG 697 5.939 -15.486 3.348 771 HB2 ARG 697 2HB ARG 697 6.644 -17.632 2.417 772 HB3 ARG 697 1HB ARG 697 8.260 -16.989 2.151 773 HG2 ARG 697 2HG ARG 697 8.195 -18.360 4.153 774 HG3 ARG 697 1HG ARG 697 8.526 -16.674 4.566 775 HD2 ARG 697 2HD ARG 697 6.141 -16.363 5.107 776 HD3 ARG 697 1HD ARG 697 5.854 -18.068 4.756 777 HE ARG 697 HE ARG 697 7.872 -17.883 6.648 778 HH12 ARG 697 1HH ARG 697 4.087 -17.419 8.010 779 HH21 ARG 697 2HH ARG 697 5.840 -17.918 9.522 780 H ASP 698 H ASP 698 9.119 -14.921 1.809 781 HA ASP 698 HA ASP 698 9.874 -13.523 4.221 782 HB2 ASP 698 2HB ASP 698 11.468 -15.120 3.217 783 HB3 ASP 698 1HB ASP 698 11.552 -14.107 1.781 784 H ALA 699 H ALA 699 9.453 -11.630 4.488 785 HA ALA 699 HA ALA 699 10.133 -9.332 3.242 786 HB1 ALA 699 1HB ALA 699 7.994 -8.566 2.209 787 HB2 ALA 699 2HB ALA 699 7.308 -10.178 2.440 788 HB3 ALA 699 3HB ALA 699 8.659 -9.935 1.327 789 H GLY 700 H GLY 700 7.601 -11.176 4.651 790 HA2 GLY 700 2HA GLY 700 6.854 -11.291 6.813 791 HA3 GLY 700 1HA GLY 700 7.927 -9.950 7.217 792 H VAL 701 H VAL 701 7.230 -7.993 7.222 793 HA VAL 701 HA VAL 701 4.470 -7.481 7.400 794 HB VAL 701 HB VAL 701 6.285 -6.242 8.566 795 HG13 VAL 701 1HG VAL 701 6.842 -4.937 5.937 796 HG21 VAL 701 2HG VAL 701 4.374 -4.544 6.993 797 H GLY 702 H GLY 702 6.890 -7.097 4.895 798 HA2 GLY 702 2HA GLY 702 6.509 -7.244 2.697 799 HA3 GLY 702 1HA GLY 702 4.793 -7.047 2.977 800 H PHE 703 H PHE 703 6.252 -5.902 1.141 801 HA PHE 703 HA PHE 703 6.011 -3.042 1.758 802 HB2 PHE 703 2HB PHE 703 7.811 -2.567 0.145 803 HB3 PHE 703 1HB PHE 703 8.375 -3.582 1.467 804 HD1 PHE 703 1HD PHE 703 8.754 -6.025 1.035 805 HD2 PHE 703 2HD PHE 703 7.934 -3.271 -2.105 806 HE1 PHE 703 1HE PHE 703 9.618 -7.636 -0.598 807 HE2 PHE 703 2HE PHE 703 8.798 -4.878 -3.747 808 HZ PHE 703 HZ PHE 703 9.645 -7.065 -2.998 809 HA PRO 704 HA PRO 704 3.303 -3.112 -1.804 810 HB2 PRO 704 2HB PRO 704 2.721 -0.511 -1.901 811 HB3 PRO 704 1HB PRO 704 2.112 -1.534 -0.594 812 HG2 PRO 704 2HG PRO 704 4.409 0.379 -0.577 813 HG3 PRO 704 1HG PRO 704 3.188 0.087 0.670 814 HD2 PRO 704 2HD PRO 704 5.722 -0.994 0.732 815 HD3 PRO 704 1HD PRO 704 4.308 -1.689 1.528 816 H GLU 705 H GLU 705 3.573 -2.847 -3.938 817 HA GLU 705 HA GLU 705 5.691 -1.057 -4.917 818 HB2 GLU 705 2HB GLU 705 6.265 -3.439 -5.188 819 HB3 GLU 705 1HB GLU 705 4.755 -3.698 -6.050 820 HG2 GLU 705 2HG GLU 705 6.505 -3.527 -7.651 821 HG3 GLU 705 1HG GLU 705 5.498 -2.098 -7.747 822 H TYR 706 H TYR 706 5.092 0.229 -6.636 823 HA TYR 706 HA TYR 706 2.253 0.452 -7.131 824 HB2 TYR 706 2HB TYR 706 3.452 2.529 -6.867 825 HB3 TYR 706 1HB TYR 706 4.576 2.121 -8.145 826 HD1 TYR 706 2HD TYR 706 0.837 2.342 -7.723 827 HD2 TYR 706 1HD TYR 706 4.239 3.272 -10.118 828 HE1 TYR 706 2HE TYR 706 -0.600 3.473 -9.294 829 HE2 TYR 706 1HE TYR 706 2.792 4.423 -11.713 830 HH TYR 706 HH TYR 706 0.491 4.468 -12.409 831 H GLN 707 H GLN 707 1.190 -0.374 -8.739 832 HA GLN 707 HA GLN 707 2.761 -1.687 -10.801 833 HB2 GLN 707 2HB GLN 707 -0.081 -2.114 -9.904 834 HB3 GLN 707 1HB GLN 707 0.634 -2.920 -11.292 835 HG2 GLN 707 2HG GLN 707 1.602 -3.116 -8.453 836 HG3 GLN 707 1HG GLN 707 0.650 -4.332 -9.310 837 HE21 GLN 707 2HE GLN 707 4.620 -3.984 -9.979 838 H GLU 708 H GLU 708 -0.517 -0.322 -10.805 839 HA GLU 708 HA GLU 708 0.176 1.499 -12.880 840 HB2 GLU 708 2HB GLU 708 -1.347 0.459 -14.543 841 HB3 GLU 708 1HB GLU 708 0.128 -0.455 -14.235 842 HG2 GLU 708 2HG GLU 708 -1.123 -1.988 -12.793 843 HG3 GLU 708 1HG GLU 708 -2.588 -1.054 -13.063 844 H GLU 709 H GLU 709 -1.075 3.168 -12.531 845 HA GLU 709 HA GLU 709 -3.745 2.835 -11.489 846 HB2 GLU 709 2HB GLU 709 -2.294 4.836 -10.966 847 HB3 GLU 709 1HB GLU 709 -2.398 5.301 -12.653 848 HG2 GLU 709 2HG GLU 709 -4.740 5.096 -10.760 849 HG3 GLU 709 1HG GLU 709 -3.885 6.582 -11.140 850 H ASP 710 H ASP 710 -5.426 2.617 -12.785 851 HA ASP 710 HA ASP 710 -5.227 3.104 -15.660 852 HB2 ASP 710 2HB ASP 710 -4.224 0.907 -15.447 853 HB3 ASP 710 1HB ASP 710 -5.581 0.346 -14.486 854 H ASN 711 H ASN 711 -7.000 1.523 -13.134 855 HA ASN 711 HA ASN 711 -9.576 1.971 -14.411 856 HB2 ASN 711 2HB ASN 711 -10.386 0.528 -12.534 857 HB3 ASN 711 1HB ASN 711 -9.154 -0.238 -13.532 858 HD21 ASN 711 2HD ASN 711 -6.751 -0.445 -10.949 859 H SER 712 H SER 712 -7.966 4.239 -13.218 860 HA SER 712 HA SER 712 -8.174 6.096 -12.203 861 HB2 SER 712 2HB SER 712 -10.396 7.023 -11.404 862 HB3 SER 712 1HB SER 712 -10.407 6.480 -13.073 863 HG SER 712 HG SER 712 -11.106 4.450 -11.520 864 H THR 713 H THR 713 -8.137 3.405 -10.783 865 HA THR 713 HA THR 713 -7.765 4.567 -8.152 866 HB THR 713 HB THR 713 -8.568 1.716 -8.814 867 HG1 THR 713 1HG THR 713 -10.076 4.042 -8.400 868 HG21 THR 713 2HG THR 713 -7.431 1.988 -6.671 869 H TYR 714 H TYR 714 -5.778 4.153 -7.345 870 HA TYR 714 HA TYR 714 -3.737 3.140 -9.118 871 HB2 TYR 714 2HB TYR 714 -3.613 4.334 -6.343 872 HB3 TYR 714 1HB TYR 714 -2.207 3.855 -7.282 873 HD1 TYR 714 1HD TYR 714 -5.210 6.051 -7.469 874 HD2 TYR 714 2HD TYR 714 -1.190 5.398 -8.662 875 HE1 TYR 714 1HE TYR 714 -5.189 8.235 -8.567 876 HE2 TYR 714 2HE TYR 714 -1.161 7.585 -9.763 877 HH TYR 714 HH TYR 714 -2.747 9.171 -10.704 878 H ASN 715 H ASN 715 -3.221 1.084 -9.150 879 HA ASN 715 HA ASN 715 -3.820 -0.537 -6.798 880 HB2 ASN 715 2HB ASN 715 -3.252 -1.086 -9.617 881 HB3 ASN 715 1HB ASN 715 -3.212 -2.435 -8.465 882 HD21 ASN 715 2HD ASN 715 -6.720 -2.546 -8.204 883 H PHE 716 H PHE 716 -2.425 -1.197 -5.522 884 HA PHE 716 HA PHE 716 0.410 -1.204 -6.264 885 HB2 PHE 716 2HB PHE 716 -0.866 -0.763 -3.560 886 HB3 PHE 716 1HB PHE 716 0.854 -1.008 -3.807 887 HD1 PHE 716 1HD PHE 716 -1.962 1.277 -4.476 888 HD2 PHE 716 2HD PHE 716 2.236 0.693 -4.595 889 HE1 PHE 716 1HE PHE 716 -1.639 3.686 -4.911 890 HE2 PHE 716 2HE PHE 716 2.564 3.091 -5.021 891 HZ PHE 716 HZ PHE 716 0.645 4.577 -5.185 892 H ARG 717 H ARG 717 1.602 -2.902 -5.750 893 HA ARG 717 HA ARG 717 0.168 -5.400 -5.174 894 HB2 ARG 717 2HB ARG 717 1.322 -5.297 -7.315 895 HB3 ARG 717 1HB ARG 717 2.811 -4.824 -6.518 896 HG2 ARG 717 2HG ARG 717 2.980 -6.925 -5.463 897 HG3 ARG 717 1HG ARG 717 1.421 -7.462 -6.119 898 HD2 ARG 717 2HD ARG 717 3.200 -8.400 -7.455 899 HD3 ARG 717 1HD ARG 717 2.369 -7.169 -8.400 900 HE ARG 717 HE ARG 717 4.657 -6.151 -7.019 901 HH12 ARG 717 1HH ARG 717 4.997 -7.472 -10.834 902 HH21 ARG 717 2HH ARG 717 6.701 -6.147 -9.906 903 H TRP 718 H TRP 718 0.453 -6.148 -3.150 904 HA TRP 718 HA TRP 718 2.835 -5.262 -1.676 905 HB2 TRP 718 2HB TRP 718 0.549 -4.388 -1.028 906 HB3 TRP 718 1HB TRP 718 0.127 -6.039 -0.616 907 HD1 TRP 718 HD TRP 718 2.359 -7.013 1.192 908 HE1 TRP 718 1HE TRP 718 2.930 -5.806 3.432 909 HE3 TRP 718 3HE TRP 718 0.342 -2.462 0.199 910 HZ2 TRP 718 2HZ TRP 718 2.561 -3.303 4.552 911 HZ3 TRP 718 3HZ TRP 718 0.477 -0.713 1.910 912 HH2 TRP 718 HH TRP 718 1.566 -1.134 4.034 913 H TYR 719 H TYR 719 4.171 -6.964 -1.370 914 HA TYR 719 HA TYR 719 3.077 -9.662 -1.316 915 HB2 TYR 719 2HB TYR 719 5.945 -8.677 -1.246 916 HB3 TYR 719 1HB TYR 719 5.488 -10.368 -1.189 917 HD1 TYR 719 2HD TYR 719 4.196 -11.300 -3.199 918 HD2 TYR 719 1HD TYR 719 6.282 -7.593 -3.293 919 HE1 TYR 719 2HE TYR 719 4.282 -11.420 -5.651 920 HE2 TYR 719 1HE TYR 719 6.372 -7.704 -5.754 921 HH TYR 719 HH TYR 719 4.534 -9.978 -7.551 922 H THR 720 H THR 720 2.296 -10.233 0.697 923 HA THR 720 HA THR 720 3.999 -9.676 2.979 924 HB THR 720 HB THR 720 2.432 -7.798 3.025 925 HG1 THR 720 1HG THR 720 2.682 -8.152 5.033 926 HG21 THR 720 2HG THR 720 0.572 -8.788 1.763 927 H SER 721 H SER 721 3.928 -11.143 4.558 928 HA SER 721 HA SER 721 2.871 -13.685 3.913 929 HB2 SER 721 2HB SER 721 5.004 -13.371 5.138 930 HB3 SER 721 1HB SER 721 4.108 -12.698 6.497 931 HG SER 721 HG SER 721 3.350 -15.202 5.538 932 H TYR 722 H TYR 722 1.677 -10.926 5.678 933 HA TYR 722 HA TYR 722 -0.060 -12.255 7.443 934 HB2 TYR 722 2HB TYR 722 -0.054 -9.407 6.446 935 HB3 TYR 722 1HB TYR 722 -1.104 -10.012 7.685 936 HD1 TYR 722 2HD TYR 722 2.497 -9.482 6.914 937 HD2 TYR 722 1HD TYR 722 -0.402 -10.249 9.927 938 HE1 TYR 722 2HE TYR 722 4.195 -9.090 8.653 939 HE2 TYR 722 1HE TYR 722 1.288 -9.855 11.661 940 HH TYR 722 HH TYR 722 3.702 -9.960 11.871 941 H ALA 723 H ALA 723 -0.380 -11.368 4.133 942 HA ALA 723 HA ALA 723 -3.281 -11.657 4.178 943 HB1 ALA 723 1HB ALA 723 -3.174 -11.074 1.826 944 HB2 ALA 723 2HB ALA 723 -1.412 -11.167 1.871 945 HB3 ALA 723 3HB ALA 723 -2.254 -9.928 2.805 946 H CYS 724 H CYS 724 -1.057 -13.776 4.542 947 HA CYS 724 HA CYS 724 -2.117 -15.685 2.616 948 HB2 CYS 724 2HB CYS 724 0.271 -14.987 2.306 949 HB3 CYS 724 1HB CYS 724 0.604 -15.632 3.904 950 HA PRO 725 HA PRO 725 -3.317 -17.714 6.447 951 HB2 PRO 725 2HB PRO 725 -3.447 -20.224 4.919 952 HB3 PRO 725 1HB PRO 725 -4.752 -19.333 5.709 953 HG2 PRO 725 2HG PRO 725 -4.529 -19.461 3.031 954 HG3 PRO 725 1HG PRO 725 -5.161 -18.027 3.861 955 HD2 PRO 725 2HD PRO 725 -2.435 -18.521 2.726 956 HD3 PRO 725 1HD PRO 725 -3.456 -17.069 2.640 Start of MODEL 7 1 H1 GLU 578 1HT GLU 578 -10.894 -6.282 -11.658 2 H2 GLU 578 2HT GLU 578 -12.103 -6.185 -10.518 3 H3 GLU 578 3HT GLU 578 -10.502 -6.417 -10.022 4 HA GLU 578 HA GLU 578 -11.180 -4.202 -9.591 5 HB2 GLU 578 2HB GLU 578 -9.124 -4.485 -11.799 6 HB3 GLU 578 1HB GLU 578 -9.384 -2.994 -10.913 7 HG2 GLU 578 2HG GLU 578 -7.446 -4.218 -10.055 8 HG3 GLU 578 1HG GLU 578 -8.707 -4.096 -8.834 9 H ALA 579 H ALA 579 -11.763 -5.105 -12.990 10 HA ALA 579 HA ALA 579 -12.753 -2.492 -13.613 11 HB1 ALA 579 1HB ALA 579 -11.662 -3.891 -15.338 12 HB2 ALA 579 2HB ALA 579 -13.296 -3.418 -15.799 13 HB3 ALA 579 3HB ALA 579 -12.984 -5.048 -15.204 14 H GLU 580 H GLU 580 -14.300 -2.235 -12.016 15 HA GLU 580 HA GLU 580 -16.383 -2.117 -11.139 16 HB2 GLU 580 2HB GLU 580 -17.201 -3.290 -13.779 17 HB3 GLU 580 1HB GLU 580 -18.324 -2.650 -12.586 18 HG2 GLU 580 2HG GLU 580 -17.245 -0.446 -12.823 19 HG3 GLU 580 1HG GLU 580 -16.206 -1.123 -14.080 20 H ALA 581 H ALA 581 -18.351 -3.363 -10.429 21 HA ALA 581 HA ALA 581 -18.382 -6.180 -10.556 22 HB1 ALA 581 1HB ALA 581 -17.869 -6.666 -8.219 23 HB2 ALA 581 2HB ALA 581 -17.421 -4.981 -7.960 24 HB3 ALA 581 3HB ALA 581 -16.471 -5.989 -9.051 25 H GLU 582 H GLU 582 -20.456 -6.471 -10.562 26 HA GLU 582 HA GLU 582 -22.144 -4.908 -8.750 27 HB2 GLU 582 2HB GLU 582 -22.869 -6.583 -11.151 28 HB3 GLU 582 1HB GLU 582 -24.017 -5.750 -10.111 29 HG2 GLU 582 2HG GLU 582 -23.052 -3.612 -10.744 30 HG3 GLU 582 1HG GLU 582 -21.888 -4.443 -11.775 31 H PHE 583 H PHE 583 -21.967 -8.183 -10.096 32 HA PHE 583 HA PHE 583 -22.585 -9.160 -7.418 33 HB2 PHE 583 2HB PHE 583 -24.381 -9.712 -9.024 34 HB3 PHE 583 1HB PHE 583 -23.205 -10.478 -10.080 35 HD1 PHE 583 2HD PHE 583 -24.756 -10.704 -6.721 36 HD2 PHE 583 1HD PHE 583 -22.669 -12.755 -9.808 37 HE1 PHE 583 2HE PHE 583 -25.137 -12.839 -5.557 38 HE2 PHE 583 1HE PHE 583 -23.046 -14.889 -8.654 39 HZ PHE 583 HZ PHE 583 -24.285 -14.931 -6.521 40 H LEU 584 H LEU 584 -20.506 -9.216 -6.759 41 HA LEU 584 HA LEU 584 -18.963 -11.427 -7.716 42 HB2 LEU 584 2HB LEU 584 -18.269 -9.490 -9.137 43 HB3 LEU 584 1HB LEU 584 -17.897 -8.607 -7.673 44 HG LEU 584 HG LEU 584 -16.075 -10.160 -7.169 45 HD13 LEU 584 1HD LEU 584 -15.399 -11.837 -8.823 46 HD21 LEU 584 2HD LEU 584 -15.630 -8.185 -8.513 47 H SER 585 H SER 585 -17.529 -12.082 -6.060 48 HA SER 585 HA SER 585 -18.494 -11.469 -3.508 49 HB2 SER 585 2HB SER 585 -16.073 -13.077 -4.303 50 HB3 SER 585 1HB SER 585 -16.878 -13.102 -2.738 51 HG SER 585 HG SER 585 -18.758 -13.791 -3.795 52 H ARG 586 H ARG 586 -18.173 -9.337 -3.162 53 HA ARG 586 HA ARG 586 -15.457 -8.546 -2.343 54 HB2 ARG 586 2HB ARG 586 -17.714 -6.786 -3.312 55 HB3 ARG 586 1HB ARG 586 -16.317 -6.170 -2.464 56 HG2 ARG 586 2HG ARG 586 -14.896 -7.004 -4.329 57 HG3 ARG 586 1HG ARG 586 -16.375 -7.474 -5.183 58 HD2 ARG 586 2HD ARG 586 -17.181 -5.199 -5.164 59 HD3 ARG 586 1HD ARG 586 -15.827 -4.689 -4.164 60 HE ARG 586 HE ARG 586 -14.874 -5.780 -6.573 61 HH12 ARG 586 1HH ARG 586 -15.993 -1.878 -6.573 62 HH21 ARG 586 2HH ARG 586 -14.526 -2.667 -8.220 63 H THR 587 H THR 587 -15.245 -7.880 -0.290 64 HA THR 587 HA THR 587 -17.679 -7.235 1.166 65 HB THR 587 HB THR 587 -17.063 -9.622 1.749 66 HG1 THR 587 1HG THR 587 -16.567 -8.491 4.163 67 HG21 THR 587 2HG THR 587 -14.686 -9.403 1.593 68 H GLU 588 H GLU 588 -17.444 -5.579 2.665 69 HA GLU 588 HA GLU 588 -14.850 -4.218 2.542 70 HB2 GLU 588 2HB GLU 588 -16.733 -2.998 1.520 71 HB3 GLU 588 1HB GLU 588 -17.622 -3.095 3.030 72 HG2 GLU 588 2HG GLU 588 -15.822 -1.743 4.097 73 HG3 GLU 588 1HG GLU 588 -15.085 -1.570 2.505 74 H GLY 589 H GLY 589 -13.772 -4.029 4.362 75 HA2 GLY 589 2HA GLY 589 -15.025 -4.739 6.901 76 HA3 GLY 589 1HA GLY 589 -13.294 -4.509 6.622 77 H ASP 590 H ASP 590 -14.895 -3.289 8.695 78 HA ASP 590 HA ASP 590 -15.268 -0.541 7.810 79 HB2 ASP 590 2HB ASP 590 -16.895 -1.504 9.387 80 HB3 ASP 590 1HB ASP 590 -15.607 -1.700 10.581 81 H ASN 591 H ASN 591 -13.314 -2.251 10.129 82 HA ASN 591 HA ASN 591 -11.421 -0.035 10.100 83 HB2 ASN 591 2HB ASN 591 -11.752 -2.323 12.075 84 HB3 ASN 591 1HB ASN 591 -10.393 -1.209 12.109 85 HD21 ASN 591 2HD ASN 591 -14.016 -0.129 13.558 86 H CYS 592 H CYS 592 -9.001 -1.483 10.671 87 HA CYS 592 HA CYS 592 -8.564 -2.398 8.077 88 HB2 CYS 592 2HB CYS 592 -7.083 -1.086 9.741 89 HB3 CYS 592 1HB CYS 592 -6.672 -2.692 10.345 90 H THR 593 H THR 593 -10.457 -4.141 9.430 91 HA THR 593 HA THR 593 -8.924 -6.612 9.175 92 HB THR 593 HB THR 593 -10.568 -7.643 10.794 93 HG1 THR 593 1HG THR 593 -11.695 -6.178 12.143 94 HG21 THR 593 2HG THR 593 -9.520 -6.744 12.829 95 H VAL 594 H VAL 594 -9.979 -8.178 7.913 96 HA VAL 594 HA VAL 594 -12.593 -7.413 6.888 97 HB VAL 594 HB VAL 594 -10.812 -6.792 5.252 98 HG13 VAL 594 1HG VAL 594 -9.183 -8.512 5.625 99 HG21 VAL 594 2HG VAL 594 -12.730 -8.917 4.333 100 H PHE 595 H PHE 595 -14.036 -9.089 6.646 101 HA PHE 595 HA PHE 595 -12.911 -11.743 6.640 102 HB2 PHE 595 2HB PHE 595 -13.746 -11.542 8.934 103 HB3 PHE 595 1HB PHE 595 -15.299 -10.936 8.349 104 HD1 PHE 595 2HD PHE 595 -13.187 -13.806 7.274 105 HD2 PHE 595 1HD PHE 595 -16.925 -12.537 8.853 106 HE1 PHE 595 2HE PHE 595 -13.993 -16.081 7.093 107 HE2 PHE 595 1HE PHE 595 -17.763 -14.848 8.699 108 HZ PHE 595 HZ PHE 595 -16.297 -16.631 7.823 109 H ASP 596 H ASP 596 -13.660 -12.996 5.084 110 HA ASP 596 HA ASP 596 -15.871 -11.879 3.537 111 HB2 ASP 596 2HB ASP 596 -14.837 -12.702 1.627 112 HB3 ASP 596 1HB ASP 596 -13.558 -11.866 2.531 113 H SER 597 H SER 597 -17.556 -13.116 3.166 114 HA SER 597 HA SER 597 -17.805 -15.575 4.489 115 HB2 SER 597 2HB SER 597 -20.044 -15.586 3.336 116 HB3 SER 597 1HB SER 597 -19.699 -14.194 4.366 117 HG SER 597 HG SER 597 -19.700 -14.373 1.550 118 H GLN 598 H GLN 598 -16.759 -14.760 1.236 119 HA GLN 598 HA GLN 598 -17.611 -17.200 0.106 120 HB2 GLN 598 2HB GLN 598 -16.252 -16.566 -1.802 121 HB3 GLN 598 1HB GLN 598 -17.489 -15.359 -1.432 122 HG2 GLN 598 2HG GLN 598 -14.577 -15.147 -0.634 123 HG3 GLN 598 1HG GLN 598 -15.159 -14.591 -2.190 124 HE21 GLN 598 2HE GLN 598 -15.276 -11.513 -0.570 125 H ALA 599 H ALA 599 -14.415 -16.026 1.247 126 HA ALA 599 HA ALA 599 -13.310 -18.604 0.585 127 HB1 ALA 599 1HB ALA 599 -11.186 -17.567 1.196 128 HB2 ALA 599 2HB ALA 599 -12.075 -16.280 1.990 129 HB3 ALA 599 3HB ALA 599 -12.116 -16.364 0.248 130 H GLY 600 H GLY 600 -14.606 -16.769 3.161 131 HA2 GLY 600 2HA GLY 600 -15.124 -17.332 5.309 132 HA3 GLY 600 1HA GLY 600 -14.617 -18.977 4.935 133 H PHE 601 H PHE 601 -12.645 -16.009 4.651 134 HA PHE 601 HA PHE 601 -11.066 -17.101 6.868 135 HB2 PHE 601 2HB PHE 601 -9.987 -15.936 4.317 136 HB3 PHE 601 1HB PHE 601 -9.009 -16.253 5.738 137 HD1 PHE 601 2HD PHE 601 -9.275 -18.791 6.602 138 HD2 PHE 601 1HD PHE 601 -9.920 -17.419 2.647 139 HE1 PHE 601 2HE PHE 601 -8.822 -21.059 5.747 140 HE2 PHE 601 1HE PHE 601 -9.482 -19.677 1.776 141 HZ PHE 601 HZ PHE 601 -8.931 -21.499 3.329 142 H SER 602 H SER 602 -10.347 -15.707 8.328 143 HA SER 602 HA SER 602 -11.297 -12.976 8.012 144 HB2 SER 602 2HB SER 602 -12.008 -14.246 9.997 145 HB3 SER 602 1HB SER 602 -10.327 -14.512 10.441 146 HG SER 602 HG SER 602 -11.374 -12.798 11.550 147 H PHE 603 H PHE 603 -9.859 -11.378 7.702 148 HA PHE 603 HA PHE 603 -7.040 -11.976 8.139 149 HB2 PHE 603 2HB PHE 603 -8.286 -10.731 5.689 150 HB3 PHE 603 1HB PHE 603 -6.583 -10.549 6.082 151 HD1 PHE 603 1HD PHE 603 -5.156 -12.561 6.200 152 HD2 PHE 603 2HD PHE 603 -9.115 -12.781 4.567 153 HE1 PHE 603 1HE PHE 603 -4.599 -14.655 5.057 154 HE2 PHE 603 2HE PHE 603 -8.519 -14.842 3.459 155 HZ PHE 603 HZ PHE 603 -6.278 -15.792 3.693 156 H ASP 604 H ASP 604 -6.025 -10.549 9.301 157 HA ASP 604 HA ASP 604 -7.249 -7.919 9.580 158 HB2 ASP 604 2HB ASP 604 -6.315 -7.810 11.887 159 HB3 ASP 604 1HB ASP 604 -7.481 -9.108 11.697 160 H LEU 605 H LEU 605 -6.139 -6.388 8.699 161 HA LEU 605 HA LEU 605 -3.333 -6.869 8.285 162 HB2 LEU 605 2HB LEU 605 -5.297 -5.135 6.797 163 HB3 LEU 605 1HB LEU 605 -3.576 -4.939 6.603 164 HG LEU 605 HG LEU 605 -4.545 -6.206 4.778 165 HD13 LEU 605 1HD LEU 605 -2.734 -7.883 6.505 166 HD21 LEU 605 2HD LEU 605 -6.406 -7.337 5.893 167 H THR 606 H THR 606 -4.835 -5.777 10.597 168 HA THR 606 HA THR 606 -4.339 -3.101 11.005 169 HB THR 606 HB THR 606 -4.489 -3.774 13.501 170 HG1 THR 606 1HG THR 606 -4.532 -5.840 13.896 171 HG21 THR 606 2HG THR 606 -6.673 -4.500 11.557 172 HA PRO 607 HA PRO 607 -0.056 -4.397 13.181 173 HB2 PRO 607 2HB PRO 607 0.675 -6.712 11.469 174 HB3 PRO 607 1HB PRO 607 0.914 -6.487 13.203 175 HG2 PRO 607 2HG PRO 607 -0.938 -8.166 12.326 176 HG3 PRO 607 1HG PRO 607 -1.264 -7.118 13.719 177 HD2 PRO 607 2HD PRO 607 -2.131 -6.789 10.870 178 HD3 PRO 607 1HD PRO 607 -3.070 -6.567 12.359 179 H LEU 608 H LEU 608 -0.996 -4.532 9.932 180 HA LEU 608 HA LEU 608 1.560 -4.002 8.761 181 HB2 LEU 608 2HB LEU 608 -1.231 -4.136 7.695 182 HB3 LEU 608 1HB LEU 608 0.133 -3.694 6.664 183 HG LEU 608 HG LEU 608 -0.470 -6.010 6.286 184 HD13 LEU 608 1HD LEU 608 1.590 -7.129 6.770 185 HD21 LEU 608 2HD LEU 608 -1.562 -6.385 8.472 186 H THR 609 H THR 609 -0.697 -2.034 10.319 187 HA THR 609 HA THR 609 -0.376 0.389 8.734 188 HB THR 609 HB THR 609 -1.286 0.071 11.617 189 HG1 THR 609 1HG THR 609 -2.881 -0.013 9.252 190 HG21 THR 609 2HG THR 609 -0.855 2.384 10.867 191 H LYS 610 H LYS 610 1.143 1.851 8.777 192 HA LYS 610 HA LYS 610 2.955 1.880 11.070 193 HB2 LYS 610 2HB LYS 610 3.752 2.069 8.174 194 HB3 LYS 610 1HB LYS 610 4.791 2.443 9.532 195 HG2 LYS 610 2HG LYS 610 4.433 0.105 10.311 196 HG3 LYS 610 1HG LYS 610 3.644 -0.217 8.769 197 HD2 LYS 610 2HD LYS 610 5.676 0.450 7.593 198 HD3 LYS 610 1HD LYS 610 6.456 0.785 9.144 199 HE2 LYS 610 2HE LYS 610 5.463 -1.895 8.173 200 HE3 LYS 610 1HE LYS 610 7.147 -1.389 8.288 201 HZ1 LYS 610 3HZ LYS 610 5.268 -1.704 10.564 202 HZ2 LYS 610 1HZ LYS 610 6.855 -1.206 10.709 203 HZ3 LYS 610 2HZ LYS 610 6.507 -2.765 10.155 204 H LYS 611 H LYS 611 3.642 3.844 11.714 205 HA LYS 611 HA LYS 611 2.158 6.186 10.985 206 HB2 LYS 611 2HB LYS 611 3.210 5.668 13.200 207 HB3 LYS 611 1HB LYS 611 4.741 5.931 12.461 208 HG2 LYS 611 2HG LYS 611 4.267 8.241 11.936 209 HG3 LYS 611 1HG LYS 611 2.639 8.082 12.589 210 HD2 LYS 611 2HD LYS 611 5.183 7.718 14.166 211 HD3 LYS 611 1HD LYS 611 4.199 9.183 14.149 212 HE2 LYS 611 2HE LYS 611 2.306 7.936 15.025 213 HE3 LYS 611 1HE LYS 611 3.257 6.458 15.023 214 HZ1 LYS 611 3HZ LYS 611 3.149 7.497 17.227 215 HZ2 LYS 611 1HZ LYS 611 3.897 8.873 16.631 216 HZ3 LYS 611 2HZ LYS 611 4.728 7.416 16.657 217 H ASP 612 H ASP 612 5.327 4.974 10.536 218 HA ASP 612 HA ASP 612 6.481 7.148 9.104 219 HB2 ASP 612 2HB ASP 612 7.211 4.281 9.382 220 HB3 ASP 612 1HB ASP 612 8.244 5.407 8.473 221 H ALA 613 H ALA 613 4.435 4.638 8.271 222 HA ALA 613 HA ALA 613 3.350 4.027 6.409 223 HB1 ALA 613 1HB ALA 613 3.063 6.433 6.100 224 HB2 ALA 613 2HB ALA 613 3.160 5.562 4.567 225 HB3 ALA 613 3HB ALA 613 4.548 6.478 5.161 226 H TYR 614 H TYR 614 3.719 3.707 3.950 227 HA TYR 614 HA TYR 614 6.342 2.460 3.618 228 HB2 TYR 614 2HB TYR 614 3.629 1.803 2.470 229 HB3 TYR 614 1HB TYR 614 5.119 0.986 2.038 230 HD1 TYR 614 2HD TYR 614 2.799 1.617 5.017 231 HD2 TYR 614 1HD TYR 614 5.849 -0.866 3.274 232 HE1 TYR 614 2HE TYR 614 2.469 0.038 6.716 233 HE2 TYR 614 1HE TYR 614 5.491 -2.495 5.048 234 HH TYR 614 HH TYR 614 2.775 -2.252 7.137 235 H LYS 615 H LYS 615 7.572 3.484 2.083 236 HA LYS 615 HA LYS 615 6.146 5.122 0.111 237 HB2 LYS 615 2HB LYS 615 7.849 6.404 1.325 238 HB3 LYS 615 1HB LYS 615 9.112 5.310 0.891 239 HG2 LYS 615 2HG LYS 615 8.354 5.829 -1.523 240 HG3 LYS 615 1HG LYS 615 7.598 7.252 -0.822 241 HD2 LYS 615 2HD LYS 615 10.493 6.400 -0.628 242 HD3 LYS 615 1HD LYS 615 9.938 7.728 -1.655 243 HE2 LYS 615 2HE LYS 615 9.309 8.912 0.430 244 HE3 LYS 615 1HE LYS 615 9.960 7.565 1.363 245 HZ1 LYS 615 3HZ LYS 615 11.601 9.342 1.216 246 HZ2 LYS 615 1HZ LYS 615 11.483 9.361 -0.460 247 HZ3 LYS 615 2HZ LYS 615 12.152 8.044 0.318 248 H VAL 616 H VAL 616 6.068 4.499 -1.853 249 HA VAL 616 HA VAL 616 7.879 2.411 -2.859 250 HB VAL 616 HB VAL 616 5.366 3.524 -4.102 251 HG13 VAL 616 1HG VAL 616 6.864 2.480 -5.706 252 HG21 VAL 616 2HG VAL 616 5.656 0.995 -2.482 253 H GLU 617 H GLU 617 9.130 2.965 -4.713 254 HA GLU 617 HA GLU 617 9.082 5.834 -5.351 255 HB2 GLU 617 2HB GLU 617 11.466 4.037 -5.035 256 HB3 GLU 617 1HB GLU 617 11.530 5.690 -5.632 257 HG2 GLU 617 2HG GLU 617 10.688 6.517 -3.527 258 HG3 GLU 617 1HG GLU 617 10.519 4.870 -2.925 259 H THR 618 H THR 618 9.305 6.455 -7.432 260 HA THR 618 HA THR 618 9.880 4.380 -9.411 261 HB THR 618 HB THR 618 8.367 5.552 -10.990 262 HG1 THR 618 1HG THR 618 7.725 7.254 -8.832 263 HG21 THR 618 2HG THR 618 6.189 5.248 -9.919 264 H ASP 619 H ASP 619 10.237 6.239 -11.521 265 HA ASP 619 HA ASP 619 12.815 7.197 -10.913 266 HB2 ASP 619 2HB ASP 619 11.006 7.964 -13.195 267 HB3 ASP 619 1HB ASP 619 12.657 8.527 -13.040 268 H LYS 620 H LYS 620 9.745 8.950 -11.168 269 HA LYS 620 HA LYS 620 11.122 11.178 -9.820 270 HB2 LYS 620 2HB LYS 620 9.148 11.372 -12.068 271 HB3 LYS 620 1HB LYS 620 9.768 12.748 -11.169 272 HG2 LYS 620 2HG LYS 620 12.019 12.292 -11.978 273 HG3 LYS 620 1HG LYS 620 11.442 10.851 -12.812 274 HD2 LYS 620 2HD LYS 620 10.522 13.670 -13.383 275 HD3 LYS 620 1HD LYS 620 11.731 12.783 -14.318 276 HE2 LYS 620 2HE LYS 620 10.045 11.087 -14.879 277 HE3 LYS 620 1HE LYS 620 8.845 11.962 -13.935 278 HZ1 LYS 620 3HZ LYS 620 10.249 13.076 -16.295 279 HZ2 LYS 620 1HZ LYS 620 8.994 13.783 -15.407 280 HZ3 LYS 620 2HZ LYS 620 8.691 12.389 -16.300 281 H TYR 621 H TYR 621 8.596 9.059 -9.530 282 HA TYR 621 HA TYR 621 7.323 10.955 -7.707 283 HB2 TYR 621 2HB TYR 621 5.996 8.938 -9.522 284 HB3 TYR 621 1HB TYR 621 5.157 9.670 -8.158 285 HD1 TYR 621 1HD TYR 621 7.292 10.850 -10.986 286 HD2 TYR 621 2HD TYR 621 3.744 11.419 -8.750 287 HE1 TYR 621 1HE TYR 621 6.771 12.781 -12.383 288 HE2 TYR 621 2HE TYR 621 3.161 13.362 -10.154 289 HH TYR 621 HH TYR 621 4.686 13.954 -13.068 290 H GLU 622 H GLU 622 6.765 10.233 -5.741 291 HA GLU 622 HA GLU 622 7.430 7.456 -5.159 292 HB2 GLU 622 2HB GLU 622 8.234 8.163 -2.965 293 HB3 GLU 622 1HB GLU 622 9.145 8.991 -4.222 294 HG2 GLU 622 2HG GLU 622 7.622 10.934 -3.908 295 HG3 GLU 622 1HG GLU 622 6.911 10.058 -2.584 296 H PHE 623 H PHE 623 6.051 6.492 -3.775 297 HA PHE 623 HA PHE 623 3.585 7.997 -3.362 298 HB2 PHE 623 2HB PHE 623 3.864 5.035 -3.925 299 HB3 PHE 623 1HB PHE 623 2.354 5.881 -3.645 300 HD1 PHE 623 1HD PHE 623 5.223 5.604 -5.975 301 HD2 PHE 623 2HD PHE 623 1.212 6.927 -5.440 302 HE1 PHE 623 1HE PHE 623 5.034 6.008 -8.378 303 HE2 PHE 623 2HE PHE 623 1.035 7.341 -7.848 304 HZ PHE 623 HZ PHE 623 2.957 6.871 -9.320 305 H HIS 624 H HIS 624 3.032 8.148 -1.253 306 HA HIS 624 HA HIS 624 4.148 6.174 0.617 307 HB2 HIS 624 2HB HIS 624 3.035 8.933 1.157 308 HB3 HIS 624 1HB HIS 624 3.570 7.794 2.384 309 HD1 HIS 624 1HD HIS 624 6.091 7.525 2.734 310 HD2 HIS 624 2HD HIS 624 5.063 10.215 -0.261 311 HE1 HIS 624 1HE HIS 624 8.170 8.639 2.151 312 HE2 HIS 624 2HE HIS 624 7.597 10.100 0.156 313 H ILE 625 H ILE 625 2.779 4.755 1.360 314 HA ILE 625 HA ILE 625 0.002 5.553 1.635 315 HB ILE 625 HB ILE 625 -0.826 3.432 0.775 316 HG12 ILE 625 1HG ILE 625 2.078 2.776 0.286 317 HG23 ILE 625 2HG ILE 625 -0.339 3.669 -1.618 318 HD11 ILE 625 1HD ILE 625 0.654 1.904 -1.596 319 H ASN 626 H ASN 626 -1.062 4.328 3.145 320 HA ASN 626 HA ASN 626 0.633 2.750 4.929 321 HB2 ASN 626 2HB ASN 626 0.314 5.011 5.870 322 HB3 ASN 626 1HB ASN 626 -1.433 4.805 5.767 323 HD21 ASN 626 2HD ASN 626 -1.153 3.943 9.118 324 H VAL 627 H VAL 627 -0.649 1.222 6.229 325 HA VAL 627 HA VAL 627 -2.956 0.320 4.694 326 HB VAL 627 HB VAL 627 -1.511 -1.037 6.989 327 HG13 VAL 627 1HG VAL 627 -2.906 -2.995 6.450 328 HG21 VAL 627 2HG VAL 627 -0.809 -2.629 5.248 329 H CYS 628 H CYS 628 -4.566 1.416 5.071 330 HA CYS 628 HA CYS 628 -6.557 1.897 6.028 331 HB2 CYS 628 2HB CYS 628 -5.446 0.448 8.420 332 HB3 CYS 628 1HB CYS 628 -7.137 0.852 8.245 333 H GLY 629 H GLY 629 -7.482 3.520 7.236 334 HA2 GLY 629 2HA GLY 629 -7.559 5.506 8.411 335 HA3 GLY 629 1HA GLY 629 -6.042 5.065 9.188 336 HA PRO 630 HA PRO 630 -4.859 8.344 6.239 337 HB2 PRO 630 2HB PRO 630 -3.751 9.983 7.988 338 HB3 PRO 630 1HB PRO 630 -5.509 9.916 7.758 339 HG2 PRO 630 2HG PRO 630 -3.847 8.535 9.867 340 HG3 PRO 630 1HG PRO 630 -5.297 9.549 10.124 341 HD2 PRO 630 2HD PRO 630 -5.308 6.859 10.052 342 HD3 PRO 630 1HD PRO 630 -6.672 7.827 9.459 343 H VAL 631 H VAL 631 -2.641 9.184 5.923 344 HA VAL 631 HA VAL 631 -0.598 7.354 6.920 345 HB VAL 631 HB VAL 631 -0.933 7.353 4.442 346 HG13 VAL 631 1HG VAL 631 0.001 10.199 4.441 347 HG21 VAL 631 2HG VAL 631 1.448 7.769 3.819 348 H SER 632 H SER 632 1.140 8.248 8.019 349 HA SER 632 HA SER 632 0.826 11.093 8.482 350 HB2 SER 632 2HB SER 632 0.535 9.684 10.467 351 HB3 SER 632 1HB SER 632 2.164 9.040 10.280 352 HG SER 632 HG SER 632 1.328 11.253 11.484 353 H VAL 633 H VAL 633 1.901 11.474 6.502 354 HA VAL 633 HA VAL 633 4.840 11.367 6.814 355 HB VAL 633 HB VAL 633 3.322 11.751 4.218 356 HG13 VAL 633 1HG VAL 633 5.475 11.310 3.131 357 HG21 VAL 633 2HG VAL 633 4.582 9.247 5.321 358 H GLY 634 H GLY 634 5.881 13.305 6.922 359 HA2 GLY 634 2HA GLY 634 4.317 15.684 7.119 360 HA3 GLY 634 1HA GLY 634 6.058 15.585 7.279 361 H ALA 635 H ALA 635 4.370 14.410 4.513 362 HA ALA 635 HA ALA 635 5.007 16.777 2.914 363 HB1 ALA 635 1HB ALA 635 6.879 15.222 2.558 364 HB2 ALA 635 2HB ALA 635 5.887 15.345 1.104 365 HB3 ALA 635 3HB ALA 635 5.739 13.937 2.153 366 H CYS 636 H CYS 636 2.753 14.890 4.132 367 HA CYS 636 HA CYS 636 1.028 14.968 1.780 368 HB2 CYS 636 2HB CYS 636 1.264 12.739 3.805 369 HB3 CYS 636 1HB CYS 636 0.107 12.808 2.485 370 HA PRO 637 HA PRO 637 -1.703 16.655 4.882 371 HB2 PRO 637 2HB PRO 637 -4.135 16.143 3.821 372 HB3 PRO 637 1HB PRO 637 -3.040 17.340 3.122 373 HG2 PRO 637 2HG PRO 637 -3.608 14.552 2.222 374 HG3 PRO 637 1HG PRO 637 -3.338 16.012 1.257 375 HD2 PRO 637 2HD PRO 637 -1.443 14.076 1.738 376 HD3 PRO 637 1HD PRO 637 -1.074 15.750 1.300 377 HA PRO 638 HA PRO 638 -2.750 13.208 7.614 378 HB2 PRO 638 2HB PRO 638 -4.733 15.069 8.798 379 HB3 PRO 638 1HB PRO 638 -3.378 14.236 9.566 380 HG2 PRO 638 2HG PRO 638 -3.275 16.853 9.101 381 HG3 PRO 638 1HG PRO 638 -1.843 15.832 8.892 382 HD2 PRO 638 2HD PRO 638 -3.685 16.951 6.819 383 HD3 PRO 638 1HD PRO 638 -1.914 16.819 6.813 384 H ASP 639 H ASP 639 -4.950 14.819 5.591 385 HA ASP 639 HA ASP 639 -7.231 13.120 6.166 386 HB2 ASP 639 2HB ASP 639 -6.825 15.296 4.129 387 HB3 ASP 639 1HB ASP 639 -8.269 14.290 4.206 388 H SER 640 H SER 640 -4.485 12.475 4.609 389 HA SER 640 HA SER 640 -5.943 10.788 2.730 390 HB2 SER 640 2HB SER 640 -3.946 10.846 1.240 391 HB3 SER 640 1HB SER 640 -4.701 12.425 1.435 392 HG SER 640 HG SER 640 -2.878 12.263 3.330 393 H GLY 641 H GLY 641 -5.448 8.704 2.647 394 HA2 GLY 641 2HA GLY 641 -3.562 7.726 4.665 395 HA3 GLY 641 1HA GLY 641 -4.848 6.768 3.929 396 H ALA 642 H ALA 642 -3.936 8.230 1.372 397 HA ALA 642 HA ALA 642 -1.372 6.955 0.783 398 HB1 ALA 642 1HB ALA 642 -3.003 5.314 0.006 399 HB2 ALA 642 2HB ALA 642 -2.293 6.140 -1.368 400 HB3 ALA 642 3HB ALA 642 -3.915 6.586 -0.842 401 H CYS 643 H CYS 643 -0.120 8.332 -0.126 402 HA CYS 643 HA CYS 643 -1.275 10.622 -1.527 403 HB2 CYS 643 2HB CYS 643 0.213 12.110 -0.263 404 HB3 CYS 643 1HB CYS 643 -0.955 11.301 0.781 405 H GLN 644 H GLN 644 -0.111 11.153 -3.275 406 HA GLN 644 HA GLN 644 2.516 9.894 -3.524 407 HB2 GLN 644 2HB GLN 644 2.382 10.569 -5.785 408 HB3 GLN 644 1HB GLN 644 1.308 9.174 -5.450 409 HG2 GLN 644 2HG GLN 644 -0.546 10.853 -5.455 410 HG3 GLN 644 1HG GLN 644 0.616 12.102 -5.858 411 HE21 GLN 644 2HE GLN 644 -0.292 11.527 -9.186 412 H VAL 645 H VAL 645 4.241 11.067 -4.138 413 HA VAL 645 HA VAL 645 3.819 13.851 -4.512 414 HB VAL 645 HB VAL 645 4.270 13.968 -2.184 415 HG13 VAL 645 1HG VAL 645 5.067 11.700 -1.849 416 HG21 VAL 645 2HG VAL 645 5.568 15.597 -3.448 417 H SER 646 H SER 646 4.879 14.698 -5.930 418 HA SER 646 HA SER 646 6.572 13.212 -7.666 419 HB2 SER 646 2HB SER 646 5.033 14.951 -8.500 420 HB3 SER 646 1HB SER 646 5.851 16.162 -7.523 421 HG SER 646 HG SER 646 6.357 15.735 -9.927 422 H ARG 647 H ARG 647 8.569 12.744 -6.922 423 HA ARG 647 HA ARG 647 9.881 14.340 -4.959 424 HB2 ARG 647 2HB ARG 647 11.762 12.781 -5.162 425 HB3 ARG 647 1HB ARG 647 10.257 11.881 -5.167 426 HG2 ARG 647 2HG ARG 647 10.396 11.738 -7.613 427 HG3 ARG 647 1HG ARG 647 11.974 12.513 -7.536 428 HD2 ARG 647 2HD ARG 647 11.193 9.909 -6.230 429 HD3 ARG 647 1HD ARG 647 12.159 10.095 -7.689 430 HE ARG 647 HE ARG 647 13.597 11.479 -5.944 431 HH12 ARG 647 1HH ARG 647 13.270 7.653 -4.597 432 HH21 ARG 647 2HH ARG 647 15.137 9.020 -3.935 433 H SER 648 H SER 648 9.639 14.345 -8.353 434 HA SER 648 HA SER 648 11.995 15.822 -8.857 435 HB2 SER 648 2HB SER 648 10.880 15.888 -11.195 436 HB3 SER 648 1HB SER 648 11.250 14.295 -10.529 437 HG SER 648 HG SER 648 8.943 15.464 -11.185 438 H ASP 649 H ASP 649 8.470 16.606 -8.752 439 HA ASP 649 HA ASP 649 9.277 19.422 -9.017 440 HB2 ASP 649 2HB ASP 649 7.699 18.551 -10.752 441 HB3 ASP 649 1HB ASP 649 6.490 18.351 -9.490 442 H ARG 650 H ARG 650 8.315 17.406 -6.579 443 HA ARG 650 HA ARG 650 8.068 17.672 -4.402 444 HB2 ARG 650 2HB ARG 650 9.531 19.697 -4.696 445 HB3 ARG 650 1HB ARG 650 8.068 20.663 -4.860 446 HG2 ARG 650 2HG ARG 650 8.503 20.960 -2.630 447 HG3 ARG 650 1HG ARG 650 7.451 19.516 -2.727 448 HD2 ARG 650 2HD ARG 650 9.263 19.110 -1.142 449 HD3 ARG 650 1HD ARG 650 9.382 18.055 -2.552 450 HE ARG 650 HE ARG 650 10.965 20.022 -3.314 451 HH12 ARG 650 1HH ARG 650 12.437 18.746 0.232 452 HH21 ARG 650 2HH ARG 650 13.794 20.045 -1.255 453 H LYS 651 H LYS 651 5.856 17.844 -6.435 454 HA LYS 651 HA LYS 651 3.650 19.163 -5.001 455 HB2 LYS 651 2HB LYS 651 3.838 17.623 -7.582 456 HB3 LYS 651 1HB LYS 651 2.355 18.282 -6.924 457 HG2 LYS 651 2HG LYS 651 4.729 19.927 -7.442 458 HG3 LYS 651 1HG LYS 651 3.657 19.488 -8.752 459 HD2 LYS 651 2HD LYS 651 1.796 20.357 -7.234 460 HD3 LYS 651 1HD LYS 651 3.085 21.090 -6.266 461 HE2 LYS 651 2HE LYS 651 2.578 21.460 -9.160 462 HE3 LYS 651 1HE LYS 651 2.127 22.659 -7.932 463 HZ1 LYS 651 3HZ LYS 651 4.583 22.801 -7.443 464 HZ2 LYS 651 1HZ LYS 651 4.173 23.313 -9.001 465 HZ3 LYS 651 2HZ LYS 651 4.853 21.801 -8.788 466 H SER 652 H SER 652 2.131 17.959 -3.742 467 HA SER 652 HA SER 652 2.268 15.054 -4.120 468 HB2 SER 652 2HB SER 652 1.356 16.286 -1.507 469 HB3 SER 652 1HB SER 652 1.832 14.633 -1.979 470 HG SER 652 HG SER 652 3.457 15.556 -0.806 471 H TRP 653 H TRP 653 0.352 13.940 -4.074 472 HA TRP 653 HA TRP 653 -2.090 15.554 -4.256 473 HB2 TRP 653 2HB TRP 653 -1.307 13.298 -6.116 474 HB3 TRP 653 1HB TRP 653 -2.868 14.109 -6.111 475 HD1 TRP 653 HD TRP 653 -2.960 16.591 -7.130 476 HE1 TRP 653 1HE TRP 653 -1.372 17.861 -8.702 477 HE3 TRP 653 3HE TRP 653 1.183 13.620 -6.699 478 HZ2 TRP 653 2HZ TRP 653 1.271 17.622 -9.647 479 HZ3 TRP 653 3HZ TRP 653 3.163 14.173 -7.924 480 HH2 TRP 653 HH TRP 653 3.230 16.183 -9.407 481 H ASN 654 H ASN 654 -4.043 14.315 -3.928 482 HA ASN 654 HA ASN 654 -3.701 12.428 -1.712 483 HB2 ASN 654 2HB ASN 654 -5.235 14.582 -1.671 484 HB3 ASN 654 1HB ASN 654 -6.191 13.690 -2.787 485 HD21 ASN 654 2HD ASN 654 -7.374 13.274 0.698 486 H LEU 655 H LEU 655 -3.889 10.270 -2.229 487 HA LEU 655 HA LEU 655 -5.342 9.568 -4.691 488 HB2 LEU 655 2HB LEU 655 -3.317 7.968 -3.149 489 HB3 LEU 655 1HB LEU 655 -4.044 7.524 -4.676 490 HG LEU 655 HG LEU 655 -2.082 9.733 -4.154 491 HD13 LEU 655 1HD LEU 655 -1.100 7.539 -4.273 492 HD21 LEU 655 2HD LEU 655 -3.551 9.071 -6.709 493 H GLY 656 H GLY 656 -6.095 9.937 -1.698 494 HA2 GLY 656 2HA GLY 656 -8.328 8.517 -1.560 495 HA3 GLY 656 1HA GLY 656 -7.123 7.338 -1.062 496 H ARG 657 H ARG 657 -9.308 9.336 0.129 497 HA ARG 657 HA ARG 657 -7.801 10.695 2.073 498 HB2 ARG 657 2HB ARG 657 -10.779 10.099 2.129 499 HB3 ARG 657 1HB ARG 657 -9.895 11.357 2.995 500 HG2 ARG 657 2HG ARG 657 -9.294 12.406 0.851 501 HG3 ARG 657 1HG ARG 657 -10.254 11.174 0.032 502 HD2 ARG 657 2HD ARG 657 -12.250 11.976 1.232 503 HD3 ARG 657 1HD ARG 657 -11.274 13.261 1.956 504 HE ARG 657 HE ARG 657 -11.773 12.968 -0.942 505 HH12 ARG 657 1HH ARG 657 -11.490 16.502 1.021 506 HH21 ARG 657 2HH ARG 657 -11.853 16.443 -1.345 507 H SER 658 H SER 658 -8.362 10.298 4.484 508 HA SER 658 HA SER 658 -7.171 7.938 5.249 509 HB2 SER 658 2HB SER 658 -9.099 9.545 6.915 510 HB3 SER 658 1HB SER 658 -7.681 8.598 7.417 511 HG SER 658 HG SER 658 -7.190 10.804 7.346 512 H ASN 659 H ASN 659 -7.943 5.925 5.158 513 HA ASN 659 HA ASN 659 -10.732 5.396 5.693 514 HB2 ASN 659 2HB ASN 659 -10.810 5.995 3.401 515 HB3 ASN 659 1HB ASN 659 -9.423 4.959 3.036 516 HD21 ASN 659 2HD ASN 659 -11.312 2.160 2.503 517 H ALA 660 H ALA 660 -11.066 3.336 6.376 518 HA ALA 660 HA ALA 660 -8.624 1.684 6.676 519 HB1 ALA 660 1HB ALA 660 -9.540 0.902 8.803 520 HB2 ALA 660 2HB ALA 660 -10.950 1.928 8.581 521 HB3 ALA 660 3HB ALA 660 -9.357 2.659 8.807 522 H LYS 661 H LYS 661 -11.110 1.794 4.836 523 HA LYS 661 HA LYS 661 -12.501 -0.621 5.440 524 HB2 LYS 661 2HB LYS 661 -12.577 0.949 2.860 525 HB3 LYS 661 1HB LYS 661 -13.741 -0.217 3.446 526 HG2 LYS 661 2HG LYS 661 -13.188 2.428 4.719 527 HG3 LYS 661 1HG LYS 661 -14.520 2.052 3.638 528 HD2 LYS 661 2HD LYS 661 -15.217 0.285 5.334 529 HD3 LYS 661 1HD LYS 661 -13.942 1.021 6.352 530 HE2 LYS 661 2HE LYS 661 -14.998 3.079 6.428 531 HE3 LYS 661 1HE LYS 661 -16.076 2.633 5.100 532 HZ1 LYS 661 3HZ LYS 661 -17.215 1.104 6.573 533 HZ2 LYS 661 1HZ LYS 661 -17.237 2.648 7.199 534 HZ3 LYS 661 2HZ LYS 661 -16.238 1.512 7.893 535 H LEU 662 H LEU 662 -11.328 -2.415 5.297 536 HA LEU 662 HA LEU 662 -9.625 -2.960 3.018 537 HB2 LEU 662 2HB LEU 662 -10.588 -4.706 5.258 538 HB3 LEU 662 1HB LEU 662 -9.577 -5.293 3.957 539 HG LEU 662 HG LEU 662 -8.830 -3.297 6.098 540 HD13 LEU 662 1HD LEU 662 -7.329 -5.096 6.788 541 HD21 LEU 662 2HD LEU 662 -7.726 -2.766 3.988 542 H SER 663 H SER 663 -10.106 -4.593 1.471 543 HA SER 663 HA SER 663 -12.886 -5.394 1.468 544 HB2 SER 663 2HB SER 663 -11.269 -4.417 -0.891 545 HB3 SER 663 1HB SER 663 -12.923 -5.034 -0.955 546 HG SER 663 HG SER 663 -12.716 -3.149 0.918 547 H TYR 664 H TYR 664 -13.202 -7.439 0.702 548 HA TYR 664 HA TYR 664 -10.726 -8.881 0.065 549 HB2 TYR 664 2HB TYR 664 -12.308 -9.701 2.105 550 HB3 TYR 664 1HB TYR 664 -13.275 -10.234 0.774 551 HD1 TYR 664 2HD TYR 664 -12.305 -11.775 -0.997 552 HD2 TYR 664 1HD TYR 664 -10.512 -11.113 2.781 553 HE1 TYR 664 2HE TYR 664 -11.005 -13.830 -1.283 554 HE2 TYR 664 1HE TYR 664 -9.175 -13.170 2.504 555 HH TYR 664 HH TYR 664 -8.956 -14.741 -0.501 556 H TYR 665 H TYR 665 -10.569 -9.374 -1.940 557 HA TYR 665 HA TYR 665 -12.902 -9.161 -3.684 558 HB2 TYR 665 2HB TYR 665 -10.808 -7.722 -3.945 559 HB3 TYR 665 1HB TYR 665 -9.962 -9.213 -4.347 560 HD1 TYR 665 1HD TYR 665 -12.916 -7.243 -5.235 561 HD2 TYR 665 2HD TYR 665 -9.893 -9.892 -6.566 562 HE1 TYR 665 1HE TYR 665 -13.683 -6.932 -7.494 563 HE2 TYR 665 2HE TYR 665 -10.649 -9.604 -8.887 564 HH TYR 665 HH TYR 665 -12.679 -8.936 -10.067 565 H ASP 666 H ASP 666 -13.385 -11.010 -4.887 566 HA ASP 666 HA ASP 666 -12.826 -13.503 -3.845 567 HB2 ASP 666 2HB ASP 666 -14.595 -13.025 -5.558 568 HB3 ASP 666 1HB ASP 666 -13.331 -12.912 -6.766 569 H GLY 667 H GLY 667 -10.990 -14.597 -3.647 570 HA2 GLY 667 2HA GLY 667 -9.133 -15.722 -4.640 571 HA3 GLY 667 1HA GLY 667 -8.984 -14.392 -5.770 572 H MET 668 H MET 668 -9.072 -12.222 -3.788 573 HA MET 668 HA MET 668 -6.769 -12.657 -2.089 574 HB2 MET 668 2HB MET 668 -5.362 -10.952 -3.206 575 HB3 MET 668 1HB MET 668 -5.535 -12.436 -4.144 576 HG2 MET 668 2HG MET 668 -7.341 -11.286 -5.456 577 HG3 MET 668 1HG MET 668 -6.937 -9.805 -4.595 578 HE1 MET 668 3HE MET 668 -6.649 -8.608 -6.941 579 HE2 MET 668 1HE MET 668 -7.014 -10.113 -7.784 580 HE3 MET 668 2HE MET 668 -5.576 -9.186 -8.214 581 H ILE 669 H ILE 669 -6.108 -10.704 -0.940 582 HA ILE 669 HA ILE 669 -8.482 -9.174 -0.295 583 HB ILE 669 HB ILE 669 -5.749 -9.013 1.070 584 HG12 ILE 669 1HG ILE 669 -6.893 -10.307 2.967 585 HG23 ILE 669 2HG ILE 669 -7.122 -7.051 1.440 586 HD11 ILE 669 1HD ILE 669 -6.604 -12.532 2.089 587 H GLN 670 H GLN 670 -8.713 -6.985 -0.665 588 HA GLN 670 HA GLN 670 -6.421 -5.547 -1.659 589 HB2 GLN 670 2HB GLN 670 -9.072 -5.680 -3.115 590 HB3 GLN 670 1HB GLN 670 -7.961 -4.337 -3.317 591 HG2 GLN 670 2HG GLN 670 -6.259 -5.839 -4.130 592 HG3 GLN 670 1HG GLN 670 -7.351 -7.242 -3.979 593 HE21 GLN 670 2HE GLN 670 -8.935 -6.442 -7.021 594 H LEU 671 H LEU 671 -6.450 -3.372 -1.263 595 HA LEU 671 HA LEU 671 -8.537 -2.551 0.661 596 HB2 LEU 671 2HB LEU 671 -6.220 -2.904 1.635 597 HB3 LEU 671 1HB LEU 671 -5.638 -1.641 0.579 598 HG LEU 671 HG LEU 671 -7.630 -1.240 2.838 599 HD13 LEU 671 1HD LEU 671 -5.469 -1.870 3.688 600 HD21 LEU 671 2HD LEU 671 -7.171 1.141 2.562 601 H THR 672 H THR 672 -9.707 -0.894 -0.020 602 HA THR 672 HA THR 672 -8.615 0.670 -2.224 603 HB THR 672 HB THR 672 -10.696 -0.576 -2.826 604 HG1 THR 672 1HG THR 672 -11.177 2.241 -2.617 605 HG21 THR 672 2HG THR 672 -12.838 0.116 -1.824 606 H TYR 673 H TYR 673 -8.392 2.727 -1.938 607 HA TYR 673 HA TYR 673 -9.422 3.881 0.520 608 HB2 TYR 673 2HB TYR 673 -7.229 4.675 -1.290 609 HB3 TYR 673 1HB TYR 673 -8.054 5.929 -0.336 610 HD1 TYR 673 1HD TYR 673 -7.939 5.846 2.072 611 HD2 TYR 673 2HD TYR 673 -5.665 3.149 -0.282 612 HE1 TYR 673 1HE TYR 673 -6.557 5.341 4.022 613 HE2 TYR 673 2HE TYR 673 -4.261 2.632 1.682 614 HH TYR 673 HH TYR 673 -5.118 3.556 4.851 615 H ARG 674 H ARG 674 -9.843 6.376 0.080 616 HA ARG 674 HA ARG 674 -12.208 6.243 -1.573 617 HB2 ARG 674 2HB ARG 674 -11.452 8.250 0.538 618 HB3 ARG 674 1HB ARG 674 -12.966 8.247 -0.363 619 HG2 ARG 674 2HG ARG 674 -11.936 6.130 1.453 620 HG3 ARG 674 1HG ARG 674 -13.293 7.212 1.815 621 HD2 ARG 674 2HD ARG 674 -14.507 6.233 -0.177 622 HD3 ARG 674 1HD ARG 674 -13.168 5.116 -0.372 623 HE ARG 674 HE ARG 674 -14.449 5.036 2.202 624 HH12 ARG 674 1HH ARG 674 -15.113 2.240 -0.661 625 HH21 ARG 674 2HH ARG 674 -15.857 1.872 1.604 626 H ASP 675 H ASP 675 -12.894 8.611 -2.196 627 HA ASP 675 HA ASP 675 -11.962 8.978 -4.723 628 HB2 ASP 675 2HB ASP 675 -13.155 11.164 -4.572 629 HB3 ASP 675 1HB ASP 675 -14.084 9.786 -3.981 630 H GLY 676 H GLY 676 -11.003 10.673 -1.887 631 HA2 GLY 676 2HA GLY 676 -9.132 12.036 -1.358 632 HA3 GLY 676 1HA GLY 676 -8.331 11.179 -2.660 633 H THR 677 H THR 677 -7.612 12.399 -4.189 634 HA THR 677 HA THR 677 -9.053 14.814 -4.743 635 HB THR 677 HB THR 677 -6.090 14.331 -4.666 636 HG1 THR 677 1HG THR 677 -7.826 15.442 -3.073 637 HG21 THR 677 2HG THR 677 -6.556 15.440 -6.819 638 HA PRO 678 HA PRO 678 -9.653 12.758 -8.705 639 HB2 PRO 678 2HB PRO 678 -10.796 14.775 -10.050 640 HB3 PRO 678 1HB PRO 678 -11.625 13.899 -8.796 641 HG2 PRO 678 2HG PRO 678 -10.197 16.518 -8.470 642 HG3 PRO 678 1HG PRO 678 -11.841 16.080 -7.956 643 HD2 PRO 678 2HD PRO 678 -9.818 16.018 -6.223 644 HD3 PRO 678 1HD PRO 678 -11.078 14.759 -6.201 645 H TYR 679 H TYR 679 -8.840 12.789 -10.763 646 HA TYR 679 HA TYR 679 -6.192 13.215 -11.168 647 HB2 TYR 679 2HB TYR 679 -8.342 13.434 -13.279 648 HB3 TYR 679 1HB TYR 679 -6.620 13.449 -13.615 649 HD1 TYR 679 1HD TYR 679 -9.233 11.333 -11.976 650 HD2 TYR 679 2HD TYR 679 -5.562 11.484 -14.098 651 HE1 TYR 679 1HE TYR 679 -9.256 8.883 -12.174 652 HE2 TYR 679 2HE TYR 679 -5.574 9.055 -14.319 653 HH TYR 679 HH TYR 679 -6.542 7.096 -13.247 654 H ASN 680 H ASN 680 -8.243 15.335 -13.063 655 HA ASN 680 HA ASN 680 -7.615 17.860 -12.066 656 HB2 ASN 680 2HB ASN 680 -5.819 18.679 -13.539 657 HB3 ASN 680 1HB ASN 680 -5.238 17.318 -12.600 658 HD21 ASN 680 2HD ASN 680 -4.625 15.291 -15.382 659 H ASN 681 H ASN 681 -9.514 16.031 -13.807 660 HA ASN 681 HA ASN 681 -9.562 17.532 -16.250 661 HB2 ASN 681 2HB ASN 681 -11.129 15.751 -16.983 662 HB3 ASN 681 1HB ASN 681 -9.581 15.118 -16.465 663 HD21 ASN 681 2HD ASN 681 -12.521 13.174 -15.087 664 H GLU 682 H GLU 682 -11.751 18.055 -17.068 665 HA GLU 682 HA GLU 682 -12.969 19.945 -15.374 666 HB2 GLU 682 2HB GLU 682 -12.807 20.079 -17.865 667 HB3 GLU 682 1HB GLU 682 -13.918 18.743 -18.001 668 HG2 GLU 682 2HG GLU 682 -14.611 21.452 -16.855 669 HG3 GLU 682 1HG GLU 682 -14.886 20.969 -18.519 670 H LYS 683 H LYS 683 -13.662 16.664 -16.163 671 HA LYS 683 HA LYS 683 -16.301 16.556 -15.101 672 HB2 LYS 683 2HB LYS 683 -15.494 15.053 -16.910 673 HB3 LYS 683 1HB LYS 683 -14.302 14.389 -15.834 674 HG2 LYS 683 2HG LYS 683 -17.266 14.094 -15.425 675 HG3 LYS 683 1HG LYS 683 -16.303 12.983 -16.395 676 HD2 LYS 683 2HD LYS 683 -14.908 12.544 -14.460 677 HD3 LYS 683 1HD LYS 683 -15.921 13.616 -13.483 678 HE2 LYS 683 2HE LYS 683 -17.866 12.142 -13.949 679 HE3 LYS 683 1HE LYS 683 -16.806 11.078 -14.868 680 HZ1 LYS 683 3HZ LYS 683 -17.198 10.255 -12.643 681 HZ2 LYS 683 1HZ LYS 683 -16.575 11.658 -11.967 682 HZ3 LYS 683 2HZ LYS 683 -15.578 10.587 -12.841 683 H ARG 684 H ARG 684 -13.048 16.225 -13.813 684 HA ARG 684 HA ARG 684 -12.204 15.784 -11.846 685 HB2 ARG 684 2HB ARG 684 -14.962 16.457 -10.781 686 HB3 ARG 684 1HB ARG 684 -13.573 16.143 -9.761 687 HG2 ARG 684 2HG ARG 684 -13.900 18.421 -11.708 688 HG3 ARG 684 1HG ARG 684 -13.952 18.518 -9.943 689 HD2 ARG 684 2HD ARG 684 -11.602 17.605 -9.950 690 HD3 ARG 684 1HD ARG 684 -11.598 17.835 -11.694 691 HE ARG 684 HE ARG 684 -12.030 20.016 -9.789 692 HH12 ARG 684 1HH ARG 684 -9.565 20.224 -12.981 693 HH21 ARG 684 2HH ARG 684 -9.547 21.936 -11.391 694 H THR 685 H THR 685 -11.813 13.730 -12.477 695 HA THR 685 HA THR 685 -13.616 11.710 -11.480 696 HB THR 685 HB THR 685 -11.068 11.463 -13.079 697 HG1 THR 685 1HG THR 685 -12.751 10.968 -14.733 698 HG21 THR 685 2HG THR 685 -11.623 9.508 -11.799 699 HA PRO 686 HA PRO 686 -11.066 11.831 -7.750 700 HB2 PRO 686 2HB PRO 686 -12.312 9.720 -6.540 701 HB3 PRO 686 1HB PRO 686 -12.863 11.379 -6.450 702 HG2 PRO 686 2HG PRO 686 -13.831 9.162 -8.200 703 HG3 PRO 686 1HG PRO 686 -14.757 10.444 -7.403 704 HD2 PRO 686 2HD PRO 686 -14.178 10.506 -10.020 705 HD3 PRO 686 1HD PRO 686 -14.272 11.989 -9.044 706 H ARG 687 H ARG 687 -9.314 10.743 -7.088 707 HA ARG 687 HA ARG 687 -8.715 8.332 -8.573 708 HB2 ARG 687 2HB ARG 687 -6.987 10.438 -7.353 709 HB3 ARG 687 1HB ARG 687 -6.353 8.849 -7.787 710 HG2 ARG 687 2HG ARG 687 -7.033 9.173 -10.086 711 HG3 ARG 687 1HG ARG 687 -7.777 10.713 -9.670 712 HD2 ARG 687 2HD ARG 687 -4.830 10.128 -9.364 713 HD3 ARG 687 1HD ARG 687 -5.559 10.873 -10.778 714 HE ARG 687 HE ARG 687 -6.420 12.376 -8.718 715 HH12 ARG 687 1HH ARG 687 -2.444 12.745 -9.394 716 HH21 ARG 687 2HH ARG 687 -3.702 14.625 -8.653 717 H ALA 688 H ALA 688 -8.307 6.530 -7.639 718 HA ALA 688 HA ALA 688 -8.434 6.504 -4.692 719 HB1 ALA 688 1HB ALA 688 -9.851 4.595 -6.547 720 HB2 ALA 688 2HB ALA 688 -10.611 5.879 -5.602 721 HB3 ALA 688 3HB ALA 688 -9.848 4.515 -4.784 722 H THR 689 H THR 689 -7.756 4.320 -3.834 723 HA THR 689 HA THR 689 -5.487 3.375 -5.418 724 HB THR 689 HB THR 689 -5.521 3.999 -2.453 725 HG1 THR 689 1HG THR 689 -5.272 5.868 -3.703 726 HG21 THR 689 2HG THR 689 -3.132 3.401 -2.492 727 H LEU 690 H LEU 690 -5.446 1.260 -5.641 728 HA LEU 690 HA LEU 690 -6.910 -0.422 -3.757 729 HB2 LEU 690 2HB LEU 690 -6.864 -0.401 -6.697 730 HB3 LEU 690 1HB LEU 690 -6.569 -1.973 -6.005 731 HG LEU 690 HG LEU 690 -8.947 -1.602 -6.616 732 HD13 LEU 690 1HD LEU 690 -8.376 -3.202 -4.930 733 HD21 LEU 690 2HD LEU 690 -9.183 0.796 -6.086 734 H ILE 691 H ILE 691 -5.657 -1.454 -2.577 735 HA ILE 691 HA ILE 691 -2.926 -2.063 -3.484 736 HB ILE 691 HB ILE 691 -4.079 -2.264 -0.673 737 HG12 ILE 691 1HG ILE 691 -2.295 -0.119 -1.846 738 HG23 ILE 691 2HG ILE 691 -2.150 -3.725 -1.070 739 HD11 ILE 691 1HD ILE 691 -2.712 1.134 0.191 740 H THR 692 H THR 692 -2.530 -4.041 -4.109 741 HA THR 692 HA THR 692 -4.527 -6.154 -3.751 742 HB THR 692 HB THR 692 -2.160 -5.955 -5.522 743 HG1 THR 692 1HG THR 692 -4.874 -5.093 -5.976 744 HG21 THR 692 2HG THR 692 -4.703 -7.553 -5.731 745 H PHE 693 H PHE 693 -4.077 -7.671 -2.290 746 HA PHE 693 HA PHE 693 -1.359 -7.873 -1.254 747 HB2 PHE 693 2HB PHE 693 -3.998 -8.785 -0.235 748 HB3 PHE 693 1HB PHE 693 -2.480 -9.076 0.606 749 HD1 PHE 693 1HD PHE 693 -4.695 -6.334 -0.594 750 HD2 PHE 693 2HD PHE 693 -1.533 -7.415 2.029 751 HE1 PHE 693 1HE PHE 693 -4.880 -4.171 0.531 752 HE2 PHE 693 2HE PHE 693 -1.709 -5.259 3.142 753 HZ PHE 693 HZ PHE 693 -3.384 -3.635 2.399 754 H LEU 694 H LEU 694 -0.151 -9.492 -1.804 755 HA LEU 694 HA LEU 694 -1.364 -12.030 -2.648 756 HB2 LEU 694 2HB LEU 694 1.369 -10.913 -3.326 757 HB3 LEU 694 1HB LEU 694 0.745 -12.472 -3.800 758 HG LEU 694 HG LEU 694 0.741 -11.095 -5.658 759 HD13 LEU 694 1HD LEU 694 -2.089 -11.318 -4.665 760 HD21 LEU 694 2HD LEU 694 -0.860 -9.053 -4.134 761 H CYS 695 H CYS 695 -0.248 -13.920 -1.892 762 HA CYS 695 HA CYS 695 0.750 -13.488 0.797 763 HB2 CYS 695 2HB CYS 695 -0.917 -15.120 0.623 764 HB3 CYS 695 1HB CYS 695 -0.030 -16.041 -0.585 765 H ASP 696 H ASP 696 2.867 -13.286 1.138 766 HA ASP 696 HA ASP 696 4.633 -15.287 0.036 767 HB2 ASP 696 2HB ASP 696 5.184 -12.337 -0.240 768 HB3 ASP 696 1HB ASP 696 6.494 -13.506 -0.182 769 H ARG 697 H ARG 697 6.387 -15.800 1.289 770 HA ARG 697 HA ARG 697 5.951 -15.116 4.089 771 HB2 ARG 697 2HB ARG 697 6.285 -17.509 3.040 772 HB3 ARG 697 1HB ARG 697 7.977 -17.086 2.987 773 HG2 ARG 697 2HG ARG 697 6.334 -17.171 5.521 774 HG3 ARG 697 1HG ARG 697 7.269 -18.523 4.918 775 HD2 ARG 697 2HD ARG 697 9.308 -17.224 5.150 776 HD3 ARG 697 1HD ARG 697 8.372 -15.832 5.690 777 HE ARG 697 HE ARG 697 7.655 -17.798 7.375 778 HH12 ARG 697 1HH ARG 697 11.531 -16.689 7.915 779 HH21 ARG 697 2HH ARG 697 10.376 -17.802 9.633 780 H ASP 698 H ASP 698 7.540 -13.794 1.622 781 HA ASP 698 HA ASP 698 10.088 -13.245 2.867 782 HB2 ASP 698 2HB ASP 698 8.869 -12.172 0.327 783 HB3 ASP 698 1HB ASP 698 10.504 -11.835 0.876 784 H ALA 699 H ALA 699 10.612 -11.506 3.936 785 HA ALA 699 HA ALA 699 10.575 -9.565 5.007 786 HB1 ALA 699 1HB ALA 699 9.275 -7.651 4.232 787 HB2 ALA 699 2HB ALA 699 8.280 -8.706 3.227 788 HB3 ALA 699 3HB ALA 699 9.991 -8.487 2.854 789 H GLY 700 H GLY 700 7.456 -11.063 4.587 790 HA2 GLY 700 2HA GLY 700 6.119 -11.859 6.312 791 HA3 GLY 700 1HA GLY 700 7.062 -10.898 7.459 792 H VAL 701 H VAL 701 6.845 -8.585 7.232 793 HA VAL 701 HA VAL 701 4.149 -7.793 7.389 794 HB VAL 701 HB VAL 701 5.983 -6.705 8.635 795 HG13 VAL 701 1HG VAL 701 7.760 -6.685 7.041 796 HG21 VAL 701 2HG VAL 701 4.441 -4.807 6.879 797 H GLY 702 H GLY 702 6.643 -7.304 4.944 798 HA2 GLY 702 2HA GLY 702 6.293 -7.403 2.684 799 HA3 GLY 702 1HA GLY 702 4.568 -7.197 2.942 800 H PHE 703 H PHE 703 6.622 -5.886 1.311 801 HA PHE 703 HA PHE 703 5.916 -3.139 2.038 802 HB2 PHE 703 2HB PHE 703 8.384 -4.083 0.547 803 HB3 PHE 703 1HB PHE 703 7.953 -2.394 0.794 804 HD1 PHE 703 2HD PHE 703 7.943 -1.450 3.090 805 HD2 PHE 703 1HD PHE 703 9.428 -5.354 2.267 806 HE1 PHE 703 2HE PHE 703 9.106 -1.462 5.258 807 HE2 PHE 703 1HE PHE 703 10.591 -5.370 4.427 808 HZ PHE 703 HZ PHE 703 10.432 -3.422 5.930 809 HA PRO 704 HA PRO 704 3.563 -3.213 -1.659 810 HB2 PRO 704 2HB PRO 704 3.105 -0.583 -1.980 811 HB3 PRO 704 1HB PRO 704 2.341 -1.540 -0.704 812 HG2 PRO 704 2HG PRO 704 4.708 0.276 -0.537 813 HG3 PRO 704 1HG PRO 704 3.351 0.100 0.587 814 HD2 PRO 704 2HD PRO 704 5.774 -1.059 1.005 815 HD3 PRO 704 1HD PRO 704 4.251 -1.752 1.587 816 H GLU 705 H GLU 705 3.606 -2.861 -3.739 817 HA GLU 705 HA GLU 705 5.994 -1.742 -5.066 818 HB2 GLU 705 2HB GLU 705 4.185 -4.036 -5.591 819 HB3 GLU 705 1HB GLU 705 5.217 -3.508 -6.878 820 HG2 GLU 705 2HG GLU 705 5.959 -4.624 -4.204 821 HG3 GLU 705 1HG GLU 705 6.062 -5.446 -5.774 822 H TYR 706 H TYR 706 5.474 -0.551 -6.911 823 HA TYR 706 HA TYR 706 2.603 0.080 -7.208 824 HB2 TYR 706 2HB TYR 706 3.743 2.115 -6.630 825 HB3 TYR 706 1HB TYR 706 4.949 1.911 -7.884 826 HD1 TYR 706 2HD TYR 706 1.188 2.102 -7.576 827 HD2 TYR 706 1HD TYR 706 4.663 3.171 -9.805 828 HE1 TYR 706 2HE TYR 706 -0.185 3.394 -9.072 829 HE2 TYR 706 1HE TYR 706 3.270 4.479 -11.321 830 HH TYR 706 HH TYR 706 0.990 4.575 -12.083 831 H GLN 707 H GLN 707 1.601 -0.684 -8.806 832 HA GLN 707 HA GLN 707 3.172 -1.694 -10.991 833 HB2 GLN 707 2HB GLN 707 0.223 -1.973 -10.383 834 HB3 GLN 707 1HB GLN 707 1.017 -2.768 -11.733 835 HG2 GLN 707 2HG GLN 707 1.601 -3.185 -8.804 836 HG3 GLN 707 1HG GLN 707 0.784 -4.311 -9.884 837 HE21 GLN 707 2HE GLN 707 4.521 -4.968 -9.404 838 H GLU 708 H GLU 708 -0.043 -0.177 -11.262 839 HA GLU 708 HA GLU 708 0.961 2.234 -12.267 840 HB2 GLU 708 2HB GLU 708 1.594 0.739 -14.161 841 HB3 GLU 708 1HB GLU 708 -0.127 0.392 -14.379 842 HG2 GLU 708 2HG GLU 708 0.664 2.063 -15.970 843 HG3 GLU 708 1HG GLU 708 -0.541 2.737 -14.868 844 H GLU 709 H GLU 709 -0.539 3.648 -12.337 845 HA GLU 709 HA GLU 709 -3.314 2.969 -11.821 846 HB2 GLU 709 2HB GLU 709 -2.078 4.961 -10.806 847 HB3 GLU 709 1HB GLU 709 -2.086 5.676 -12.400 848 HG2 GLU 709 2HG GLU 709 -4.538 4.995 -10.778 849 HG3 GLU 709 1HG GLU 709 -3.819 6.587 -10.904 850 H ASP 710 H ASP 710 -4.815 3.011 -13.365 851 HA ASP 710 HA ASP 710 -4.534 4.278 -15.905 852 HB2 ASP 710 2HB ASP 710 -3.010 2.306 -16.220 853 HB3 ASP 710 1HB ASP 710 -4.390 1.253 -15.947 854 H ASN 711 H ASN 711 -6.034 1.948 -13.856 855 HA ASN 711 HA ASN 711 -8.523 1.945 -15.348 856 HB2 ASN 711 2HB ASN 711 -9.215 0.193 -13.760 857 HB3 ASN 711 1HB ASN 711 -7.691 -0.193 -14.548 858 HD21 ASN 711 2HD ASN 711 -5.869 -0.293 -11.555 859 H SER 712 H SER 712 -7.555 4.390 -13.789 860 HA SER 712 HA SER 712 -8.565 6.109 -12.808 861 HB2 SER 712 2HB SER 712 -10.789 5.409 -13.708 862 HB3 SER 712 1HB SER 712 -10.996 4.315 -12.347 863 HG SER 712 HG SER 712 -10.536 6.570 -11.222 864 H THR 713 H THR 713 -7.394 3.558 -11.585 865 HA THR 713 HA THR 713 -7.448 4.464 -8.839 866 HB THR 713 HB THR 713 -8.106 1.696 -9.822 867 HG1 THR 713 1HG THR 713 -9.562 3.747 -9.347 868 HG21 THR 713 2HG THR 713 -7.854 2.590 -6.944 869 H TYR 714 H TYR 714 -5.506 4.148 -7.831 870 HA TYR 714 HA TYR 714 -3.227 3.249 -9.386 871 HB2 TYR 714 2HB TYR 714 -3.446 4.373 -6.573 872 HB3 TYR 714 1HB TYR 714 -1.930 3.938 -7.345 873 HD1 TYR 714 1HD TYR 714 -4.875 6.163 -7.686 874 HD2 TYR 714 2HD TYR 714 -0.789 5.524 -8.659 875 HE1 TYR 714 1HE TYR 714 -4.760 8.395 -8.647 876 HE2 TYR 714 2HE TYR 714 -0.662 7.788 -9.633 877 HH TYR 714 HH TYR 714 -2.212 9.432 -10.609 878 H ASN 715 H ASN 715 -2.646 1.167 -9.344 879 HA ASN 715 HA ASN 715 -3.499 -0.429 -7.055 880 HB2 ASN 715 2HB ASN 715 -2.799 -1.116 -9.846 881 HB3 ASN 715 1HB ASN 715 -2.663 -2.379 -8.635 882 HD21 ASN 715 2HD ASN 715 -6.158 -2.834 -8.329 883 H PHE 716 H PHE 716 -2.240 -1.069 -5.649 884 HA PHE 716 HA PHE 716 0.629 -1.122 -6.175 885 HB2 PHE 716 2HB PHE 716 -0.794 -0.600 -3.552 886 HB3 PHE 716 1HB PHE 716 0.917 -0.900 -3.709 887 HD1 PHE 716 1HD PHE 716 -1.750 1.479 -4.605 888 HD2 PHE 716 2HD PHE 716 2.416 0.729 -4.392 889 HE1 PHE 716 1HE PHE 716 -1.299 3.868 -5.044 890 HE2 PHE 716 2HE PHE 716 2.876 3.097 -4.821 891 HZ PHE 716 HZ PHE 716 1.039 4.661 -5.155 892 H ARG 717 H ARG 717 1.687 -2.845 -5.593 893 HA ARG 717 HA ARG 717 0.052 -5.212 -5.046 894 HB2 ARG 717 2HB ARG 717 1.179 -5.347 -7.129 895 HB3 ARG 717 1HB ARG 717 2.704 -4.845 -6.439 896 HG2 ARG 717 2HG ARG 717 2.823 -6.828 -5.178 897 HG3 ARG 717 1HG ARG 717 1.265 -7.409 -5.842 898 HD2 ARG 717 2HD ARG 717 3.831 -6.824 -7.301 899 HD3 ARG 717 1HD ARG 717 3.191 -8.420 -6.944 900 HE ARG 717 HE ARG 717 1.274 -7.060 -8.386 901 HH12 ARG 717 1HH ARG 717 4.434 -8.497 -10.467 902 HH21 ARG 717 2HH ARG 717 2.430 -7.976 -11.584 903 H TRP 718 H TRP 718 0.302 -6.189 -3.119 904 HA TRP 718 HA TRP 718 2.640 -5.421 -1.501 905 HB2 TRP 718 2HB TRP 718 0.259 -4.601 -0.847 906 HB3 TRP 718 1HB TRP 718 -0.044 -6.283 -0.474 907 HD1 TRP 718 HD TRP 718 1.971 -7.318 1.323 908 HE1 TRP 718 1HE TRP 718 2.726 -6.168 3.541 909 HE3 TRP 718 3HE TRP 718 0.465 -2.569 0.323 910 HZ2 TRP 718 2HZ TRP 718 2.670 -3.626 4.653 911 HZ3 TRP 718 3HZ TRP 718 0.839 -0.829 2.022 912 HH2 TRP 718 HH TRP 718 1.920 -1.355 4.131 913 H TYR 719 H TYR 719 3.918 -7.163 -1.063 914 HA TYR 719 HA TYR 719 2.757 -9.846 -1.290 915 HB2 TYR 719 2HB TYR 719 5.662 -9.052 -0.932 916 HB3 TYR 719 1HB TYR 719 5.060 -10.649 -1.311 917 HD1 TYR 719 2HD TYR 719 3.650 -10.740 -3.601 918 HD2 TYR 719 1HD TYR 719 6.559 -7.802 -2.606 919 HE1 TYR 719 2HE TYR 719 4.020 -10.299 -5.994 920 HE2 TYR 719 1HE TYR 719 6.931 -7.349 -4.992 921 HH TYR 719 HH TYR 719 6.671 -8.506 -7.106 922 H THR 720 H THR 720 1.928 -10.458 0.714 923 HA THR 720 HA THR 720 3.572 -9.891 3.057 924 HB THR 720 HB THR 720 1.888 -8.114 3.082 925 HG1 THR 720 1HG THR 720 2.205 -8.518 5.085 926 HG21 THR 720 2HG THR 720 0.109 -9.221 1.788 927 H SER 721 H SER 721 3.529 -11.341 4.691 928 HA SER 721 HA SER 721 2.714 -13.981 4.115 929 HB2 SER 721 2HB SER 721 3.584 -12.708 6.723 930 HB3 SER 721 1HB SER 721 3.530 -14.445 6.401 931 HG SER 721 HG SER 721 4.876 -13.448 4.445 932 H TYR 722 H TYR 722 1.163 -11.232 5.611 933 HA TYR 722 HA TYR 722 -0.756 -12.665 7.102 934 HB2 TYR 722 2HB TYR 722 -0.679 -9.768 6.235 935 HB3 TYR 722 1HB TYR 722 -1.864 -10.476 7.301 936 HD1 TYR 722 2HD TYR 722 1.709 -9.585 7.033 937 HD2 TYR 722 1HD TYR 722 -1.391 -11.010 9.560 938 HE1 TYR 722 2HE TYR 722 3.158 -9.247 8.991 939 HE2 TYR 722 1HE TYR 722 0.046 -10.674 11.524 940 HH TYR 722 HH TYR 722 2.408 -10.575 12.007 941 H ALA 723 H ALA 723 -0.424 -12.167 3.806 942 HA ALA 723 HA ALA 723 -3.246 -12.104 3.239 943 HB1 ALA 723 1HB ALA 723 -2.609 -12.278 0.884 944 HB2 ALA 723 2HB ALA 723 -0.940 -12.584 1.357 945 HB3 ALA 723 3HB ALA 723 -1.675 -11.019 1.695 946 H CYS 724 H CYS 724 -1.216 -14.422 4.298 947 HA CYS 724 HA CYS 724 -2.766 -16.395 3.004 948 HB2 CYS 724 2HB CYS 724 -0.085 -16.559 4.225 949 HB3 CYS 724 1HB CYS 724 -1.075 -17.998 4.423 950 HA PRO 725 HA PRO 725 -4.584 -16.917 7.153 951 HB2 PRO 725 2HB PRO 725 -5.960 -19.291 6.671 952 HB3 PRO 725 1HB PRO 725 -6.558 -17.680 6.290 953 HG2 PRO 725 2HG PRO 725 -5.796 -19.743 4.454 954 HG3 PRO 725 1HG PRO 725 -6.367 -18.114 4.078 955 HD2 PRO 725 2HD PRO 725 -3.623 -19.181 4.093 956 HD3 PRO 725 1HD PRO 725 -4.279 -17.749 3.283 Start of MODEL 8 1 H1 GLU 578 1HT GLU 578 -23.781 2.593 -11.812 2 H2 GLU 578 2HT GLU 578 -24.512 2.959 -13.273 3 H3 GLU 578 3HT GLU 578 -22.998 2.214 -13.248 4 HA GLU 578 HA GLU 578 -25.506 1.052 -12.215 5 HB2 GLU 578 2HB GLU 578 -25.535 1.144 -14.654 6 HB3 GLU 578 1HB GLU 578 -23.938 0.421 -14.727 7 HG2 GLU 578 2HG GLU 578 -24.823 -1.651 -13.806 8 HG3 GLU 578 1HG GLU 578 -26.419 -0.924 -13.674 9 H ALA 579 H ALA 579 -22.194 0.202 -13.275 10 HA ALA 579 HA ALA 579 -20.713 -1.259 -12.580 11 HB1 ALA 579 1HB ALA 579 -20.306 -1.536 -10.185 12 HB2 ALA 579 2HB ALA 579 -21.901 -0.868 -9.822 13 HB3 ALA 579 3HB ALA 579 -20.663 0.155 -10.548 14 H GLU 580 H GLU 580 -21.603 -2.807 -13.817 15 HA GLU 580 HA GLU 580 -23.123 -4.884 -12.420 16 HB2 GLU 580 2HB GLU 580 -24.316 -3.823 -14.252 17 HB3 GLU 580 1HB GLU 580 -22.974 -4.135 -15.330 18 HG2 GLU 580 2HG GLU 580 -23.393 -6.508 -15.197 19 HG3 GLU 580 1HG GLU 580 -24.695 -6.232 -14.036 20 H ALA 581 H ALA 581 -22.591 -7.092 -13.018 21 HA ALA 581 HA ALA 581 -21.289 -8.846 -13.327 22 HB1 ALA 581 1HB ALA 581 -20.659 -7.952 -15.560 23 HB2 ALA 581 2HB ALA 581 -19.328 -8.823 -14.799 24 HB3 ALA 581 3HB ALA 581 -19.336 -7.061 -14.808 25 H GLU 582 H GLU 582 -19.803 -9.926 -12.150 26 HA GLU 582 HA GLU 582 -18.480 -10.358 -10.446 27 HB2 GLU 582 2HB GLU 582 -16.823 -8.963 -11.737 28 HB3 GLU 582 1HB GLU 582 -17.403 -7.547 -10.893 29 HG2 GLU 582 2HG GLU 582 -16.457 -8.331 -8.825 30 HG3 GLU 582 1HG GLU 582 -16.033 -9.884 -9.573 31 H PHE 583 H PHE 583 -17.766 -9.094 -8.178 32 HA PHE 583 HA PHE 583 -18.361 -8.370 -6.217 33 HB2 PHE 583 2HB PHE 583 -19.163 -6.242 -7.163 34 HB3 PHE 583 1HB PHE 583 -20.730 -6.964 -7.506 35 HD1 PHE 583 2HD PHE 583 -18.412 -6.250 -4.679 36 HD2 PHE 583 1HD PHE 583 -22.451 -6.719 -5.945 37 HE1 PHE 583 2HE PHE 583 -19.190 -5.536 -2.458 38 HE2 PHE 583 1HE PHE 583 -23.230 -6.006 -3.725 39 HZ PHE 583 HZ PHE 583 -21.598 -5.416 -1.978 40 H LEU 584 H LEU 584 -18.474 -10.511 -6.010 41 HA LEU 584 HA LEU 584 -20.747 -11.291 -4.420 42 HB2 LEU 584 2HB LEU 584 -21.237 -12.085 -6.836 43 HB3 LEU 584 1HB LEU 584 -19.805 -13.070 -6.699 44 HG LEU 584 HG LEU 584 -22.290 -13.416 -4.996 45 HD13 LEU 584 1HD LEU 584 -22.723 -15.377 -6.378 46 HD21 LEU 584 2HD LEU 584 -19.895 -15.231 -5.368 47 H SER 585 H SER 585 -17.759 -12.175 -6.061 48 HA SER 585 HA SER 585 -16.681 -13.580 -3.813 49 HB2 SER 585 2HB SER 585 -15.358 -12.668 -6.378 50 HB3 SER 585 1HB SER 585 -14.809 -13.930 -5.285 51 HG SER 585 HG SER 585 -16.677 -15.119 -5.799 52 H ARG 586 H ARG 586 -17.366 -10.532 -4.049 53 HA ARG 586 HA ARG 586 -14.868 -9.568 -2.887 54 HB2 ARG 586 2HB ARG 586 -15.190 -8.293 -4.935 55 HB3 ARG 586 1HB ARG 586 -16.868 -7.958 -4.510 56 HG2 ARG 586 2HG ARG 586 -16.149 -6.635 -2.594 57 HG3 ARG 586 1HG ARG 586 -14.468 -6.997 -2.950 58 HD2 ARG 586 2HD ARG 586 -14.593 -5.729 -4.999 59 HD3 ARG 586 1HD ARG 586 -16.330 -5.491 -4.790 60 HE ARG 586 HE ARG 586 -15.523 -4.398 -2.573 61 HH12 ARG 586 1HH ARG 586 -13.432 -2.440 -5.417 62 HH21 ARG 586 2HH ARG 586 -13.854 -1.424 -3.349 63 H THR 587 H THR 587 -15.033 -9.271 -0.894 64 HA THR 587 HA THR 587 -17.640 -8.750 0.341 65 HB THR 587 HB THR 587 -15.141 -9.893 1.579 66 HG1 THR 587 1HG THR 587 -17.322 -11.235 0.287 67 HG21 THR 587 2HG THR 587 -16.843 -10.979 2.958 68 H GLU 588 H GLU 588 -17.764 -6.828 1.569 69 HA GLU 588 HA GLU 588 -15.330 -5.167 1.516 70 HB2 GLU 588 2HB GLU 588 -17.498 -4.424 0.374 71 HB3 GLU 588 1HB GLU 588 -18.168 -4.243 1.982 72 HG2 GLU 588 2HG GLU 588 -17.456 -2.092 1.225 73 HG3 GLU 588 1HG GLU 588 -16.346 -2.622 2.490 74 H GLY 589 H GLY 589 -14.505 -4.350 3.397 75 HA2 GLY 589 2HA GLY 589 -15.785 -5.204 5.923 76 HA3 GLY 589 1HA GLY 589 -14.061 -4.935 5.708 77 H ASP 590 H ASP 590 -14.227 -3.542 7.615 78 HA ASP 590 HA ASP 590 -15.035 -0.828 6.841 79 HB2 ASP 590 2HB ASP 590 -15.761 -2.117 9.475 80 HB3 ASP 590 1HB ASP 590 -15.795 -0.385 9.209 81 H ASN 591 H ASN 591 -13.219 -2.776 9.109 82 HA ASN 591 HA ASN 591 -11.528 -0.455 9.660 83 HB2 ASN 591 2HB ASN 591 -11.753 -3.081 11.157 84 HB3 ASN 591 1HB ASN 591 -10.701 -1.748 11.603 85 HD21 ASN 591 2HD ASN 591 -14.620 -1.720 12.530 86 H CYS 592 H CYS 592 -9.188 -1.622 10.434 87 HA CYS 592 HA CYS 592 -7.894 -2.287 8.046 88 HB2 CYS 592 2HB CYS 592 -6.949 -2.610 10.879 89 HB3 CYS 592 1HB CYS 592 -5.997 -2.294 9.413 90 H THR 593 H THR 593 -10.026 -4.188 9.465 91 HA THR 593 HA THR 593 -8.495 -6.644 9.218 92 HB THR 593 HB THR 593 -10.204 -7.546 10.816 93 HG1 THR 593 1HG THR 593 -11.857 -6.298 11.284 94 HG21 THR 593 2HG THR 593 -8.642 -5.174 11.837 95 H VAL 594 H VAL 594 -9.606 -8.174 7.947 96 HA VAL 594 HA VAL 594 -12.195 -7.280 6.993 97 HB VAL 594 HB VAL 594 -10.546 -6.840 5.207 98 HG13 VAL 594 1HG VAL 594 -9.527 -8.677 3.959 99 HG21 VAL 594 2HG VAL 594 -12.845 -7.309 4.598 100 H PHE 595 H PHE 595 -13.720 -8.657 7.275 101 HA PHE 595 HA PHE 595 -12.955 -11.442 7.365 102 HB2 PHE 595 2HB PHE 595 -13.704 -10.840 9.604 103 HB3 PHE 595 1HB PHE 595 -15.174 -10.110 8.952 104 HD1 PHE 595 2HD PHE 595 -13.392 -13.324 8.437 105 HD2 PHE 595 1HD PHE 595 -17.052 -11.386 9.385 106 HE1 PHE 595 2HE PHE 595 -14.483 -15.474 8.475 107 HE2 PHE 595 1HE PHE 595 -18.183 -13.570 9.444 108 HZ PHE 595 HZ PHE 595 -16.884 -15.625 8.996 109 H ASP 596 H ASP 596 -13.836 -12.688 5.932 110 HA ASP 596 HA ASP 596 -15.933 -11.462 4.383 111 HB2 ASP 596 2HB ASP 596 -15.102 -12.636 2.507 112 HB3 ASP 596 1HB ASP 596 -13.747 -11.737 3.227 113 H SER 597 H SER 597 -17.722 -12.569 3.970 114 HA SER 597 HA SER 597 -18.295 -14.811 5.531 115 HB2 SER 597 2HB SER 597 -20.452 -14.657 4.226 116 HB3 SER 597 1HB SER 597 -19.987 -13.269 5.218 117 HG SER 597 HG SER 597 -20.570 -13.235 2.685 118 H GLN 598 H GLN 598 -16.937 -14.510 2.337 119 HA GLN 598 HA GLN 598 -18.086 -16.952 1.363 120 HB2 GLN 598 2HB GLN 598 -16.475 -16.619 -0.488 121 HB3 GLN 598 1HB GLN 598 -17.667 -15.313 -0.321 122 HG2 GLN 598 2HG GLN 598 -15.957 -13.970 0.756 123 HG3 GLN 598 1HG GLN 598 -14.827 -15.309 0.678 124 HE21 GLN 598 2HE GLN 598 -14.319 -12.784 -1.999 125 H ALA 599 H ALA 599 -14.809 -15.980 2.461 126 HA ALA 599 HA ALA 599 -13.904 -18.708 2.238 127 HB1 ALA 599 1HB ALA 599 -11.772 -17.713 3.032 128 HB2 ALA 599 2HB ALA 599 -12.643 -16.215 3.321 129 HB3 ALA 599 3HB ALA 599 -12.453 -16.776 1.665 130 H GLY 600 H GLY 600 -15.194 -16.424 4.406 131 HA2 GLY 600 2HA GLY 600 -15.843 -16.539 6.575 132 HA3 GLY 600 1HA GLY 600 -15.585 -18.280 6.490 133 H PHE 601 H PHE 601 -13.148 -15.714 5.908 134 HA PHE 601 HA PHE 601 -11.946 -16.627 8.405 135 HB2 PHE 601 2HB PHE 601 -10.921 -17.857 6.492 136 HB3 PHE 601 1HB PHE 601 -10.305 -16.323 5.875 137 HD1 PHE 601 2HD PHE 601 -10.023 -18.885 8.467 138 HD2 PHE 601 1HD PHE 601 -8.441 -15.211 7.031 139 HE1 PHE 601 2HE PHE 601 -8.056 -19.168 9.917 140 HE2 PHE 601 1HE PHE 601 -6.475 -15.487 8.475 141 HZ PHE 601 HZ PHE 601 -6.281 -17.472 9.924 142 H SER 602 H SER 602 -11.041 -15.101 9.578 143 HA SER 602 HA SER 602 -11.418 -12.415 8.564 144 HB2 SER 602 2HB SER 602 -11.184 -11.818 10.983 145 HB3 SER 602 1HB SER 602 -12.466 -12.994 10.633 146 HG SER 602 HG SER 602 -9.861 -13.737 11.430 147 H PHE 603 H PHE 603 -9.793 -11.163 8.021 148 HA PHE 603 HA PHE 603 -7.051 -12.021 8.610 149 HB2 PHE 603 2HB PHE 603 -8.201 -10.619 6.202 150 HB3 PHE 603 1HB PHE 603 -6.479 -10.661 6.530 151 HD1 PHE 603 2HD PHE 603 -9.454 -12.795 5.656 152 HD2 PHE 603 1HD PHE 603 -5.202 -12.560 6.032 153 HE1 PHE 603 2HE PHE 603 -9.218 -14.908 4.470 154 HE2 PHE 603 1HE PHE 603 -4.991 -14.687 4.832 155 HZ PHE 603 HZ PHE 603 -6.998 -15.860 4.048 156 H ASP 604 H ASP 604 -5.958 -10.740 9.895 157 HA ASP 604 HA ASP 604 -6.756 -7.893 10.340 158 HB2 ASP 604 2HB ASP 604 -6.592 -9.499 12.285 159 HB3 ASP 604 1HB ASP 604 -4.921 -9.789 11.840 160 H LEU 605 H LEU 605 -5.761 -6.609 8.963 161 HA LEU 605 HA LEU 605 -2.984 -7.233 8.302 162 HB2 LEU 605 2HB LEU 605 -4.922 -5.451 6.818 163 HB3 LEU 605 1HB LEU 605 -3.265 -5.746 6.342 164 HG LEU 605 HG LEU 605 -5.539 -7.729 6.330 165 HD13 LEU 605 1HD LEU 605 -5.058 -7.861 3.962 166 HD21 LEU 605 2HD LEU 605 -3.543 -8.876 7.099 167 H THR 606 H THR 606 -4.384 -5.877 10.503 168 HA THR 606 HA THR 606 -3.925 -3.224 10.689 169 HB THR 606 HB THR 606 -3.902 -5.267 12.897 170 HG1 THR 606 1HG THR 606 -5.911 -5.675 12.395 171 HG21 THR 606 2HG THR 606 -3.531 -2.931 13.509 172 HA PRO 607 HA PRO 607 0.444 -4.465 12.793 173 HB2 PRO 607 2HB PRO 607 1.611 -6.653 11.575 174 HB3 PRO 607 1HB PRO 607 0.779 -6.697 13.138 175 HG2 PRO 607 2HG PRO 607 -0.240 -7.445 10.433 176 HG3 PRO 607 1HG PRO 607 -0.472 -8.260 11.987 177 HD2 PRO 607 2HD PRO 607 -2.382 -6.735 10.921 178 HD3 PRO 607 1HD PRO 607 -2.094 -6.761 12.671 179 H LEU 608 H LEU 608 -0.569 -4.793 9.529 180 HA LEU 608 HA LEU 608 1.935 -4.136 8.337 181 HB2 LEU 608 2HB LEU 608 -0.864 -4.380 7.341 182 HB3 LEU 608 1HB LEU 608 0.422 -3.778 6.272 183 HG LEU 608 HG LEU 608 1.533 -6.040 6.596 184 HD13 LEU 608 1HD LEU 608 -1.056 -6.726 7.939 185 HD21 LEU 608 2HD LEU 608 0.211 -5.553 4.627 186 H THR 609 H THR 609 -0.508 -2.368 9.857 187 HA THR 609 HA THR 609 -0.217 0.122 8.454 188 HB THR 609 HB THR 609 -1.298 -0.506 11.214 189 HG1 THR 609 1HG THR 609 -2.891 -0.055 8.931 190 HG21 THR 609 2HG THR 609 -2.544 1.601 10.975 191 H LYS 610 H LYS 610 1.274 1.553 8.641 192 HA LYS 610 HA LYS 610 3.068 1.578 10.980 193 HB2 LYS 610 2HB LYS 610 3.648 1.971 8.064 194 HB3 LYS 610 1HB LYS 610 4.723 2.558 9.308 195 HG2 LYS 610 2HG LYS 610 5.060 0.243 10.055 196 HG3 LYS 610 1HG LYS 610 3.967 -0.309 8.780 197 HD2 LYS 610 2HD LYS 610 5.426 0.544 7.077 198 HD3 LYS 610 1HD LYS 610 6.459 1.309 8.283 199 HE2 LYS 610 2HE LYS 610 6.005 -1.662 8.060 200 HE3 LYS 610 1HE LYS 610 7.362 -0.819 7.324 201 HZ1 LYS 610 3HZ LYS 610 6.761 -0.964 10.232 202 HZ2 LYS 610 1HZ LYS 610 8.041 -0.100 9.539 203 HZ3 LYS 610 2HZ LYS 610 7.986 -1.779 9.413 204 H LYS 611 H LYS 611 3.561 3.658 11.769 205 HA LYS 611 HA LYS 611 1.721 5.771 11.160 206 HB2 LYS 611 2HB LYS 611 2.961 5.405 13.320 207 HB3 LYS 611 1HB LYS 611 4.397 5.934 12.485 208 HG2 LYS 611 2HG LYS 611 3.213 8.095 11.948 209 HG3 LYS 611 1HG LYS 611 1.952 7.595 13.076 210 HD2 LYS 611 2HD LYS 611 3.491 9.050 14.224 211 HD3 LYS 611 1HD LYS 611 3.702 7.402 14.829 212 HE2 LYS 611 2HE LYS 611 5.640 7.103 13.345 213 HE3 LYS 611 1HE LYS 611 5.406 8.741 12.738 214 HZ1 LYS 611 3HZ LYS 611 5.912 9.578 14.948 215 HZ2 LYS 611 1HZ LYS 611 7.150 8.632 14.354 216 HZ3 LYS 611 2HZ LYS 611 6.111 7.997 15.529 217 H ASP 612 H ASP 612 5.054 5.059 10.542 218 HA ASP 612 HA ASP 612 5.663 7.462 9.062 219 HB2 ASP 612 2HB ASP 612 7.339 6.120 10.392 220 HB3 ASP 612 1HB ASP 612 7.232 4.882 9.147 221 H ALA 613 H ALA 613 4.425 4.419 8.436 222 HA ALA 613 HA ALA 613 3.366 3.468 6.702 223 HB1 ALA 613 1HB ALA 613 2.396 5.641 6.389 224 HB2 ALA 613 2HB ALA 613 2.669 4.852 4.828 225 HB3 ALA 613 3HB ALA 613 3.762 6.117 5.388 226 H TYR 614 H TYR 614 3.634 3.454 4.032 227 HA TYR 614 HA TYR 614 6.358 2.433 3.655 228 HB2 TYR 614 2HB TYR 614 3.726 1.677 2.369 229 HB3 TYR 614 1HB TYR 614 5.288 1.006 1.917 230 HD1 TYR 614 2HD TYR 614 2.992 1.351 4.874 231 HD2 TYR 614 1HD TYR 614 6.059 -0.954 2.988 232 HE1 TYR 614 2HE TYR 614 2.739 -0.362 6.546 233 HE2 TYR 614 1HE TYR 614 5.796 -2.674 4.689 234 HH TYR 614 HH TYR 614 3.152 -2.644 6.856 235 H LYS 615 H LYS 615 7.502 3.196 1.913 236 HA LYS 615 HA LYS 615 6.090 5.038 0.140 237 HB2 LYS 615 2HB LYS 615 7.733 6.243 1.474 238 HB3 LYS 615 1HB LYS 615 9.013 5.173 0.987 239 HG2 LYS 615 2HG LYS 615 8.474 5.853 -1.389 240 HG3 LYS 615 1HG LYS 615 7.454 7.115 -0.700 241 HD2 LYS 615 2HD LYS 615 10.428 6.709 -0.267 242 HD3 LYS 615 1HD LYS 615 9.704 7.977 -1.263 243 HE2 LYS 615 2HE LYS 615 8.618 8.834 0.835 244 HE3 LYS 615 1HE LYS 615 9.546 7.628 1.722 245 HZ1 LYS 615 3HZ LYS 615 10.576 9.823 1.757 246 HZ2 LYS 615 1HZ LYS 615 10.682 9.814 0.083 247 HZ3 LYS 615 2HZ LYS 615 11.589 8.720 0.986 248 H VAL 616 H VAL 616 5.982 4.409 -1.814 249 HA VAL 616 HA VAL 616 7.851 2.398 -2.863 250 HB VAL 616 HB VAL 616 5.325 3.476 -4.116 251 HG13 VAL 616 1HG VAL 616 6.846 2.486 -5.718 252 HG21 VAL 616 2HG VAL 616 4.186 1.403 -3.412 253 H GLU 617 H GLU 617 9.135 3.019 -4.607 254 HA GLU 617 HA GLU 617 9.091 5.909 -5.174 255 HB2 GLU 617 2HB GLU 617 11.421 4.002 -5.124 256 HB3 GLU 617 1HB GLU 617 11.505 5.687 -5.603 257 HG2 GLU 617 2HG GLU 617 10.886 6.372 -3.355 258 HG3 GLU 617 1HG GLU 617 10.732 4.680 -2.874 259 H THR 618 H THR 618 9.277 6.583 -7.316 260 HA THR 618 HA THR 618 9.737 4.492 -9.278 261 HB THR 618 HB THR 618 8.307 5.807 -10.840 262 HG1 THR 618 1HG THR 618 7.419 7.626 -10.302 263 HG21 THR 618 2HG THR 618 7.248 3.985 -9.524 264 H ASP 619 H ASP 619 10.061 6.425 -11.402 265 HA ASP 619 HA ASP 619 12.729 7.187 -10.860 266 HB2 ASP 619 2HB ASP 619 10.922 8.045 -13.128 267 HB3 ASP 619 1HB ASP 619 12.627 8.443 -13.018 268 H LYS 620 H LYS 620 9.741 9.081 -11.010 269 HA LYS 620 HA LYS 620 11.240 11.256 -9.699 270 HB2 LYS 620 2HB LYS 620 9.228 11.510 -11.893 271 HB3 LYS 620 1HB LYS 620 9.781 12.878 -10.950 272 HG2 LYS 620 2HG LYS 620 12.074 12.461 -11.765 273 HG3 LYS 620 1HG LYS 620 11.457 11.127 -12.744 274 HD2 LYS 620 2HD LYS 620 10.544 13.993 -12.963 275 HD3 LYS 620 1HD LYS 620 11.741 13.254 -14.017 276 HE2 LYS 620 2HE LYS 620 10.060 11.621 -14.772 277 HE3 LYS 620 1HE LYS 620 8.874 12.334 -13.687 278 HZ1 LYS 620 3HZ LYS 620 10.159 13.727 -15.979 279 HZ2 LYS 620 1HZ LYS 620 9.020 14.395 -14.934 280 HZ3 LYS 620 2HZ LYS 620 8.596 13.125 -15.945 281 H TYR 621 H TYR 621 8.790 9.180 -9.188 282 HA TYR 621 HA TYR 621 7.542 11.119 -7.406 283 HB2 TYR 621 2HB TYR 621 6.143 9.045 -9.114 284 HB3 TYR 621 1HB TYR 621 5.374 9.855 -7.759 285 HD1 TYR 621 1HD TYR 621 7.243 10.683 -10.881 286 HD2 TYR 621 2HD TYR 621 4.130 11.764 -8.212 287 HE1 TYR 621 1HE TYR 621 6.670 12.527 -12.343 288 HE2 TYR 621 2HE TYR 621 3.518 13.640 -9.691 289 HH TYR 621 HH TYR 621 4.563 15.034 -11.383 290 H GLU 622 H GLU 622 6.504 10.148 -5.576 291 HA GLU 622 HA GLU 622 7.348 7.436 -5.019 292 HB2 GLU 622 2HB GLU 622 7.802 7.969 -2.711 293 HB3 GLU 622 1HB GLU 622 8.783 9.049 -3.687 294 HG2 GLU 622 2HG GLU 622 7.293 10.875 -3.279 295 HG3 GLU 622 1HG GLU 622 6.125 9.811 -2.520 296 H PHE 623 H PHE 623 5.818 6.388 -3.857 297 HA PHE 623 HA PHE 623 3.337 7.899 -3.461 298 HB2 PHE 623 2HB PHE 623 3.663 4.938 -4.011 299 HB3 PHE 623 1HB PHE 623 2.140 5.779 -3.758 300 HD1 PHE 623 1HD PHE 623 4.964 5.302 -6.076 301 HD2 PHE 623 2HD PHE 623 1.093 6.989 -5.549 302 HE1 PHE 623 1HE PHE 623 4.804 5.701 -8.476 303 HE2 PHE 623 2HE PHE 623 0.947 7.390 -7.958 304 HZ PHE 623 HZ PHE 623 2.815 6.739 -9.424 305 H HIS 624 H HIS 624 2.973 8.127 -1.344 306 HA HIS 624 HA HIS 624 4.205 6.164 0.423 307 HB2 HIS 624 2HB HIS 624 4.297 8.953 0.431 308 HB3 HIS 624 1HB HIS 624 3.087 8.545 1.640 309 HD1 HIS 624 1HD HIS 624 6.610 8.895 1.184 310 HD2 HIS 624 2HD HIS 624 4.124 6.602 3.581 311 HE1 HIS 624 1HE HIS 624 8.071 8.024 3.051 312 HE2 HIS 624 2HE HIS 624 6.458 6.972 4.665 313 H ILE 625 H ILE 625 2.836 4.812 1.383 314 HA ILE 625 HA ILE 625 0.035 5.584 1.620 315 HB ILE 625 HB ILE 625 -0.739 3.456 0.725 316 HG12 ILE 625 1HG ILE 625 2.175 2.915 0.234 317 HG23 ILE 625 2HG ILE 625 -0.269 3.784 -1.679 318 HD11 ILE 625 1HD ILE 625 1.489 0.776 -0.780 319 H ASN 626 H ASN 626 -1.041 4.345 3.097 320 HA ASN 626 HA ASN 626 0.598 2.595 4.808 321 HB2 ASN 626 2HB ASN 626 0.336 4.843 5.869 322 HB3 ASN 626 1HB ASN 626 -1.406 4.651 5.772 323 HD21 ASN 626 2HD ASN 626 -1.154 3.569 9.052 324 H VAL 627 H VAL 627 -0.669 0.993 5.948 325 HA VAL 627 HA VAL 627 -3.040 0.181 4.504 326 HB VAL 627 HB VAL 627 -1.710 -1.068 6.937 327 HG13 VAL 627 1HG VAL 627 -3.169 -3.013 6.489 328 HG21 VAL 627 2HG VAL 627 -0.340 -1.236 4.948 329 H CYS 628 H CYS 628 -4.711 1.227 4.861 330 HA CYS 628 HA CYS 628 -6.590 1.949 5.690 331 HB2 CYS 628 2HB CYS 628 -7.499 1.123 7.753 332 HB3 CYS 628 1HB CYS 628 -6.649 -0.188 6.956 333 H GLY 629 H GLY 629 -7.474 3.642 6.632 334 HA2 GLY 629 2HA GLY 629 -7.686 5.569 7.945 335 HA3 GLY 629 1HA GLY 629 -6.259 5.076 8.836 336 HA PRO 630 HA PRO 630 -4.765 8.444 6.252 337 HB2 PRO 630 2HB PRO 630 -3.603 9.821 8.201 338 HB3 PRO 630 1HB PRO 630 -5.320 9.971 7.786 339 HG2 PRO 630 2HG PRO 630 -4.032 8.405 10.028 340 HG3 PRO 630 1HG PRO 630 -5.524 9.389 10.090 341 HD2 PRO 630 2HD PRO 630 -5.349 6.667 9.873 342 HD3 PRO 630 1HD PRO 630 -6.739 7.626 9.335 343 H VAL 631 H VAL 631 -2.591 9.104 5.890 344 HA VAL 631 HA VAL 631 -0.566 7.226 6.824 345 HB VAL 631 HB VAL 631 -1.053 7.356 4.352 346 HG13 VAL 631 1HG VAL 631 -0.256 9.148 3.005 347 HG21 VAL 631 2HG VAL 631 1.694 8.039 5.285 348 H SER 632 H SER 632 1.162 8.121 7.992 349 HA SER 632 HA SER 632 0.835 10.964 8.467 350 HB2 SER 632 2HB SER 632 0.646 9.481 10.465 351 HB3 SER 632 1HB SER 632 2.283 8.917 10.171 352 HG SER 632 HG SER 632 3.066 10.725 10.913 353 H VAL 633 H VAL 633 1.845 11.438 6.505 354 HA VAL 633 HA VAL 633 4.799 11.181 6.587 355 HB VAL 633 HB VAL 633 3.124 11.810 4.150 356 HG13 VAL 633 1HG VAL 633 5.445 12.524 3.993 357 HG21 VAL 633 2HG VAL 633 4.186 9.166 5.063 358 H GLY 634 H GLY 634 5.984 13.021 6.547 359 HA2 GLY 634 2HA GLY 634 4.607 15.516 6.999 360 HA3 GLY 634 1HA GLY 634 6.343 15.249 7.032 361 H ALA 635 H ALA 635 4.191 14.445 4.411 362 HA ALA 635 HA ALA 635 5.205 16.706 2.841 363 HB1 ALA 635 1HB ALA 635 6.623 14.778 2.291 364 HB2 ALA 635 2HB ALA 635 5.636 15.258 0.913 365 HB3 ALA 635 3HB ALA 635 5.187 13.844 1.867 366 H CYS 636 H CYS 636 2.597 14.905 3.944 367 HA CYS 636 HA CYS 636 0.872 16.138 2.006 368 HB2 CYS 636 2HB CYS 636 -0.361 14.013 1.657 369 HB3 CYS 636 1HB CYS 636 1.282 13.963 1.026 370 HA PRO 637 HA PRO 637 -1.609 16.790 5.601 371 HB2 PRO 637 2HB PRO 637 -4.077 16.245 4.103 372 HB3 PRO 637 1HB PRO 637 -3.510 17.754 4.814 373 HG2 PRO 637 2HG PRO 637 -3.550 17.398 2.156 374 HG3 PRO 637 1HG PRO 637 -2.265 18.322 2.954 375 HD2 PRO 637 2HD PRO 637 -2.226 15.493 1.978 376 HD3 PRO 637 1HD PRO 637 -1.006 16.772 1.793 377 HA PRO 638 HA PRO 638 -2.693 12.902 7.564 378 HB2 PRO 638 2HB PRO 638 -4.608 14.577 9.108 379 HB3 PRO 638 1HB PRO 638 -3.345 13.493 9.691 380 HG2 PRO 638 2HG PRO 638 -2.995 16.115 9.800 381 HG3 PRO 638 1HG PRO 638 -1.658 15.046 9.342 382 HD2 PRO 638 2HD PRO 638 -3.384 16.770 7.605 383 HD3 PRO 638 1HD PRO 638 -1.632 16.461 7.530 384 H ASP 639 H ASP 639 -4.933 14.853 5.865 385 HA ASP 639 HA ASP 639 -7.335 13.339 6.221 386 HB2 ASP 639 2HB ASP 639 -6.474 15.208 4.024 387 HB3 ASP 639 1HB ASP 639 -8.001 14.350 3.969 388 H SER 640 H SER 640 -4.502 12.673 4.525 389 HA SER 640 HA SER 640 -5.975 10.834 2.822 390 HB2 SER 640 2HB SER 640 -3.940 10.883 1.324 391 HB3 SER 640 1HB SER 640 -4.841 12.391 1.420 392 HG SER 640 HG SER 640 -2.943 12.418 3.333 393 H GLY 641 H GLY 641 -5.445 8.752 2.666 394 HA2 GLY 641 2HA GLY 641 -3.596 7.733 4.704 395 HA3 GLY 641 1HA GLY 641 -4.880 6.798 3.941 396 H ALA 642 H ALA 642 -3.781 8.408 1.487 397 HA ALA 642 HA ALA 642 -1.281 7.079 0.941 398 HB1 ALA 642 1HB ALA 642 -2.849 5.448 0.077 399 HB2 ALA 642 2HB ALA 642 -2.182 6.336 -1.279 400 HB3 ALA 642 3HB ALA 642 -3.799 6.730 -0.710 401 H CYS 643 H CYS 643 -0.017 8.567 0.047 402 HA CYS 643 HA CYS 643 -1.249 10.738 -1.438 403 HB2 CYS 643 2HB CYS 643 0.022 12.413 -0.181 404 HB3 CYS 643 1HB CYS 643 -1.099 11.543 0.854 405 H GLN 644 H GLN 644 -0.057 11.375 -3.148 406 HA GLN 644 HA GLN 644 2.645 10.256 -3.315 407 HB2 GLN 644 2HB GLN 644 2.513 10.886 -5.655 408 HB3 GLN 644 1HB GLN 644 1.518 9.456 -5.267 409 HG2 GLN 644 2HG GLN 644 -0.428 11.002 -5.319 410 HG3 GLN 644 1HG GLN 644 0.647 12.326 -5.722 411 HE21 GLN 644 2HE GLN 644 -0.219 11.657 -9.045 412 H VAL 645 H VAL 645 4.322 11.505 -3.831 413 HA VAL 645 HA VAL 645 3.828 14.282 -4.346 414 HB VAL 645 HB VAL 645 4.260 14.247 -1.916 415 HG13 VAL 645 1HG VAL 645 5.442 12.170 -1.720 416 HG21 VAL 645 2HG VAL 645 5.150 16.156 -3.127 417 H SER 646 H SER 646 5.155 15.122 -5.802 418 HA SER 646 HA SER 646 6.783 13.241 -7.201 419 HB2 SER 646 2HB SER 646 7.157 15.166 -8.779 420 HB3 SER 646 1HB SER 646 5.462 14.763 -8.532 421 HG SER 646 HG SER 646 5.745 16.939 -8.473 422 H ARG 647 H ARG 647 8.795 12.859 -6.707 423 HA ARG 647 HA ARG 647 10.219 14.467 -4.815 424 HB2 ARG 647 2HB ARG 647 12.040 12.867 -5.061 425 HB3 ARG 647 1HB ARG 647 10.519 11.992 -5.040 426 HG2 ARG 647 2HG ARG 647 10.643 11.949 -7.538 427 HG3 ARG 647 1HG ARG 647 12.294 12.552 -7.375 428 HD2 ARG 647 2HD ARG 647 11.193 9.998 -6.207 429 HD3 ARG 647 1HD ARG 647 12.280 10.147 -7.585 430 HE ARG 647 HE ARG 647 13.666 11.355 -5.660 431 HH12 ARG 647 1HH ARG 647 13.069 7.493 -4.608 432 HH21 ARG 647 2HH ARG 647 14.907 8.688 -3.744 433 H SER 648 H SER 648 9.706 14.552 -8.119 434 HA SER 648 HA SER 648 12.065 15.810 -8.996 435 HB2 SER 648 2HB SER 648 10.482 16.009 -11.029 436 HB3 SER 648 1HB SER 648 10.927 14.396 -10.451 437 HG SER 648 HG SER 648 8.653 14.901 -10.905 438 H ASP 649 H ASP 649 8.655 16.922 -8.510 439 HA ASP 649 HA ASP 649 9.706 19.671 -8.668 440 HB2 ASP 649 2HB ASP 649 7.967 19.063 -10.339 441 HB3 ASP 649 1HB ASP 649 6.826 18.848 -9.014 442 H ARG 650 H ARG 650 8.359 17.501 -6.552 443 HA ARG 650 HA ARG 650 7.697 17.453 -4.495 444 HB2 ARG 650 2HB ARG 650 9.096 20.108 -4.236 445 HB3 ARG 650 1HB ARG 650 8.193 19.430 -2.897 446 HG2 ARG 650 2HG ARG 650 10.499 18.875 -2.595 447 HG3 ARG 650 1HG ARG 650 9.633 17.406 -3.008 448 HD2 ARG 650 2HD ARG 650 11.719 17.434 -4.197 449 HD3 ARG 650 1HD ARG 650 10.412 17.686 -5.351 450 HE ARG 650 HE ARG 650 11.245 20.186 -4.562 451 HH12 ARG 650 1HH ARG 650 13.795 18.341 -7.121 452 HH21 ARG 650 2HH ARG 650 13.819 20.711 -6.890 453 H LYS 651 H LYS 651 5.793 17.897 -6.232 454 HA LYS 651 HA LYS 651 3.851 19.487 -4.722 455 HB2 LYS 651 2HB LYS 651 3.649 18.117 -7.377 456 HB3 LYS 651 1HB LYS 651 2.321 18.908 -6.555 457 HG2 LYS 651 2HG LYS 651 3.873 20.919 -6.537 458 HG3 LYS 651 1HG LYS 651 4.756 20.039 -7.773 459 HD2 LYS 651 2HD LYS 651 2.795 19.730 -9.109 460 HD3 LYS 651 1HD LYS 651 1.804 20.520 -7.894 461 HE2 LYS 651 2HE LYS 651 2.150 21.970 -9.559 462 HE3 LYS 651 1HE LYS 651 3.106 22.540 -8.200 463 HZ1 LYS 651 3HZ LYS 651 5.112 21.586 -9.237 464 HZ2 LYS 651 1HZ LYS 651 4.433 22.731 -10.259 465 HZ3 LYS 651 2HZ LYS 651 4.226 21.093 -10.573 466 H SER 652 H SER 652 2.011 18.359 -3.794 467 HA SER 652 HA SER 652 2.172 15.470 -4.104 468 HB2 SER 652 2HB SER 652 1.439 15.140 -1.815 469 HB3 SER 652 1HB SER 652 3.005 15.914 -1.918 470 HG SER 652 HG SER 652 2.005 17.922 -1.574 471 H TRP 653 H TRP 653 0.313 14.288 -3.956 472 HA TRP 653 HA TRP 653 -2.170 15.791 -4.323 473 HB2 TRP 653 2HB TRP 653 -1.146 13.523 -6.018 474 HB3 TRP 653 1HB TRP 653 -2.758 14.191 -6.172 475 HD1 TRP 653 HD TRP 653 -2.893 16.743 -7.200 476 HE1 TRP 653 1HE TRP 653 -1.242 18.023 -8.760 477 HE3 TRP 653 3HE TRP 653 1.282 13.851 -6.577 478 HZ2 TRP 653 2HZ TRP 653 1.437 17.803 -9.594 479 HZ3 TRP 653 3HZ TRP 653 3.314 14.426 -7.744 480 HH2 TRP 653 HH TRP 653 3.412 16.378 -9.246 481 H ASN 654 H ASN 654 -4.064 14.440 -4.001 482 HA ASN 654 HA ASN 654 -3.651 12.682 -1.691 483 HB2 ASN 654 2HB ASN 654 -5.342 14.732 -1.806 484 HB3 ASN 654 1HB ASN 654 -6.210 13.685 -2.859 485 HD21 ASN 654 2HD ASN 654 -7.353 13.453 0.694 486 H LEU 655 H LEU 655 -3.835 10.498 -1.969 487 HA LEU 655 HA LEU 655 -5.037 9.523 -4.471 488 HB2 LEU 655 2HB LEU 655 -3.013 8.228 -2.661 489 HB3 LEU 655 1HB LEU 655 -3.645 7.542 -4.139 490 HG LEU 655 HG LEU 655 -1.910 9.985 -3.898 491 HD13 LEU 655 1HD LEU 655 -0.318 8.642 -5.123 492 HD21 LEU 655 2HD LEU 655 -3.102 8.677 -6.334 493 H GLY 656 H GLY 656 -6.216 10.150 -1.753 494 HA2 GLY 656 2HA GLY 656 -8.361 8.761 -1.582 495 HA3 GLY 656 1HA GLY 656 -7.254 7.486 -1.107 496 H ARG 657 H ARG 657 -9.368 9.539 0.118 497 HA ARG 657 HA ARG 657 -7.770 10.601 2.169 498 HB2 ARG 657 2HB ARG 657 -9.766 11.636 2.973 499 HB3 ARG 657 1HB ARG 657 -9.735 11.659 1.209 500 HG2 ARG 657 2HG ARG 657 -11.379 10.031 1.059 501 HG3 ARG 657 1HG ARG 657 -11.419 9.752 2.824 502 HD2 ARG 657 2HD ARG 657 -13.282 11.129 2.253 503 HD3 ARG 657 1HD ARG 657 -12.084 12.213 2.964 504 HE ARG 657 HE ARG 657 -12.595 11.921 0.068 505 HH12 ARG 657 1HH ARG 657 -11.564 15.400 1.896 506 HH21 ARG 657 2HH ARG 657 -12.053 15.319 -0.447 507 H SER 658 H SER 658 -8.457 10.185 4.505 508 HA SER 658 HA SER 658 -7.556 7.652 5.129 509 HB2 SER 658 2HB SER 658 -9.227 9.404 6.928 510 HB3 SER 658 1HB SER 658 -8.025 8.175 7.368 511 HG SER 658 HG SER 658 -6.607 9.591 5.946 512 H ASN 659 H ASN 659 -8.441 5.758 4.994 513 HA ASN 659 HA ASN 659 -11.146 5.212 5.709 514 HB2 ASN 659 2HB ASN 659 -11.455 6.059 3.453 515 HB3 ASN 659 1HB ASN 659 -10.168 5.018 2.854 516 HD21 ASN 659 2HD ASN 659 -12.264 2.342 2.314 517 H ALA 660 H ALA 660 -11.428 2.923 5.919 518 HA ALA 660 HA ALA 660 -8.886 1.428 5.827 519 HB1 ALA 660 1HB ALA 660 -9.390 0.418 7.995 520 HB2 ALA 660 2HB ALA 660 -10.894 1.338 8.086 521 HB3 ALA 660 3HB ALA 660 -9.346 2.174 8.131 522 H LYS 661 H LYS 661 -11.503 1.508 4.214 523 HA LYS 661 HA LYS 661 -12.810 -0.957 4.807 524 HB2 LYS 661 2HB LYS 661 -12.956 0.520 2.162 525 HB3 LYS 661 1HB LYS 661 -14.085 -0.656 2.800 526 HG2 LYS 661 2HG LYS 661 -13.612 2.095 3.851 527 HG3 LYS 661 1HG LYS 661 -15.017 1.514 2.965 528 HD2 LYS 661 2HD LYS 661 -15.414 -0.097 4.832 529 HD3 LYS 661 1HD LYS 661 -14.101 0.698 5.708 530 HE2 LYS 661 2HE LYS 661 -15.297 2.845 5.448 531 HE3 LYS 661 1HE LYS 661 -16.605 1.936 4.697 532 HZ1 LYS 661 3HZ LYS 661 -16.905 0.699 6.793 533 HZ2 LYS 661 1HZ LYS 661 -17.077 2.364 7.015 534 HZ3 LYS 661 2HZ LYS 661 -15.661 1.612 7.496 535 H LEU 662 H LEU 662 -11.569 -2.692 4.780 536 HA LEU 662 HA LEU 662 -9.906 -3.284 2.511 537 HB2 LEU 662 2HB LEU 662 -10.583 -4.787 5.000 538 HB3 LEU 662 1HB LEU 662 -9.687 -5.547 3.692 539 HG LEU 662 HG LEU 662 -8.790 -3.165 5.335 540 HD13 LEU 662 1HD LEU 662 -7.955 -6.043 5.246 541 HD21 LEU 662 2HD LEU 662 -7.300 -4.826 3.318 542 H SER 663 H SER 663 -10.401 -4.459 0.923 543 HA SER 663 HA SER 663 -13.121 -5.550 0.709 544 HB2 SER 663 2HB SER 663 -11.144 -4.782 -1.451 545 HB3 SER 663 1HB SER 663 -12.849 -5.181 -1.662 546 HG SER 663 HG SER 663 -13.104 -3.262 -0.088 547 H TYR 664 H TYR 664 -13.245 -7.691 0.303 548 HA TYR 664 HA TYR 664 -10.682 -9.119 0.069 549 HB2 TYR 664 2HB TYR 664 -12.129 -9.513 2.122 550 HB3 TYR 664 1HB TYR 664 -13.328 -10.194 1.052 551 HD1 TYR 664 2HD TYR 664 -12.135 -12.104 -0.623 552 HD2 TYR 664 1HD TYR 664 -10.947 -10.990 3.286 553 HE1 TYR 664 2HE TYR 664 -11.059 -14.308 -0.344 554 HE2 TYR 664 1HE TYR 664 -9.856 -13.169 3.578 555 HH TYR 664 HH TYR 664 -10.088 -15.348 2.701 556 H TYR 665 H TYR 665 -10.384 -9.905 -1.892 557 HA TYR 665 HA TYR 665 -12.718 -10.542 -3.548 558 HB2 TYR 665 2HB TYR 665 -10.997 -8.802 -4.347 559 HB3 TYR 665 1HB TYR 665 -9.849 -10.138 -4.415 560 HD1 TYR 665 1HD TYR 665 -13.230 -9.206 -5.561 561 HD2 TYR 665 2HD TYR 665 -9.665 -11.344 -6.414 562 HE1 TYR 665 1HE TYR 665 -14.119 -9.760 -7.732 563 HE2 TYR 665 2HE TYR 665 -10.548 -11.924 -8.638 564 HH TYR 665 HH TYR 665 -13.277 -10.365 -9.943 565 H ASP 666 H ASP 666 -12.786 -12.647 -4.283 566 HA ASP 666 HA ASP 666 -11.781 -14.651 -2.685 567 HB2 ASP 666 2HB ASP 666 -13.553 -15.108 -4.248 568 HB3 ASP 666 1HB ASP 666 -12.486 -14.818 -5.624 569 H GLY 667 H GLY 667 -9.837 -15.307 -2.236 570 HA2 GLY 667 2HA GLY 667 -7.782 -16.290 -2.763 571 HA3 GLY 667 1HA GLY 667 -7.866 -15.530 -4.341 572 H MET 668 H MET 668 -8.515 -12.835 -2.852 573 HA MET 668 HA MET 668 -5.977 -12.292 -1.619 574 HB2 MET 668 2HB MET 668 -5.229 -10.623 -3.227 575 HB3 MET 668 1HB MET 668 -5.195 -12.259 -3.884 576 HG2 MET 668 2HG MET 668 -7.388 -11.759 -5.014 577 HG3 MET 668 1HG MET 668 -7.228 -10.095 -4.472 578 HE1 MET 668 3HE MET 668 -4.371 -12.147 -7.484 579 HE2 MET 668 1HE MET 668 -5.770 -12.933 -6.759 580 HE3 MET 668 2HE MET 668 -4.371 -12.530 -5.767 581 H ILE 669 H ILE 669 -5.929 -10.487 -0.469 582 HA ILE 669 HA ILE 669 -8.453 -9.109 -0.180 583 HB ILE 669 HB ILE 669 -5.941 -8.921 1.552 584 HG12 ILE 669 1HG ILE 669 -7.387 -10.051 3.316 585 HG23 ILE 669 2HG ILE 669 -7.173 -6.845 1.644 586 HD11 ILE 669 1HD ILE 669 -7.215 -12.333 2.536 587 H GLN 670 H GLN 670 -8.728 -6.945 -0.569 588 HA GLN 670 HA GLN 670 -6.445 -5.465 -1.620 589 HB2 GLN 670 2HB GLN 670 -9.251 -5.605 -2.728 590 HB3 GLN 670 1HB GLN 670 -8.114 -4.340 -3.169 591 HG2 GLN 670 2HG GLN 670 -6.644 -5.902 -4.187 592 HG3 GLN 670 1HG GLN 670 -7.596 -7.301 -3.625 593 HE21 GLN 670 2HE GLN 670 -10.148 -5.852 -6.057 594 H LEU 671 H LEU 671 -6.620 -3.189 -1.284 595 HA LEU 671 HA LEU 671 -8.528 -2.493 0.868 596 HB2 LEU 671 2HB LEU 671 -6.015 -2.642 1.453 597 HB3 LEU 671 1HB LEU 671 -5.805 -1.222 0.458 598 HG LEU 671 HG LEU 671 -7.379 -1.401 3.048 599 HD13 LEU 671 1HD LEU 671 -5.671 0.001 3.962 600 HD21 LEU 671 2HD LEU 671 -6.811 1.021 1.348 601 H THR 672 H THR 672 -9.903 -0.944 0.297 602 HA THR 672 HA THR 672 -9.381 0.548 -2.161 603 HB THR 672 HB THR 672 -11.960 0.063 -0.633 604 HG1 THR 672 1HG THR 672 -11.788 -1.820 -1.635 605 HG21 THR 672 2HG THR 672 -11.500 1.291 -3.367 606 H TYR 673 H TYR 673 -8.942 2.702 -1.974 607 HA TYR 673 HA TYR 673 -9.718 4.028 0.510 608 HB2 TYR 673 2HB TYR 673 -7.543 4.486 -1.386 609 HB3 TYR 673 1HB TYR 673 -8.166 5.913 -0.526 610 HD1 TYR 673 1HD TYR 673 -8.159 5.801 1.983 611 HD2 TYR 673 2HD TYR 673 -5.986 3.035 -0.398 612 HE1 TYR 673 1HE TYR 673 -6.814 5.215 3.923 613 HE2 TYR 673 2HE TYR 673 -4.615 2.435 1.567 614 HH TYR 673 HH TYR 673 -3.973 3.403 3.785 615 H ARG 674 H ARG 674 -9.963 6.627 -0.006 616 HA ARG 674 HA ARG 674 -12.402 6.540 -1.550 617 HB2 ARG 674 2HB ARG 674 -11.322 8.324 0.517 618 HB3 ARG 674 1HB ARG 674 -12.857 8.677 -0.311 619 HG2 ARG 674 2HG ARG 674 -12.085 6.362 1.401 620 HG3 ARG 674 1HG ARG 674 -13.219 7.635 1.877 621 HD2 ARG 674 2HD ARG 674 -14.734 6.929 0.030 622 HD3 ARG 674 1HD ARG 674 -13.631 5.608 -0.352 623 HE ARG 674 HE ARG 674 -14.594 5.645 2.352 624 HH12 ARG 674 1HH ARG 674 -16.187 3.211 -0.496 625 HH21 ARG 674 2HH ARG 674 -16.693 2.865 1.815 626 H ASP 675 H ASP 675 -12.959 8.906 -2.203 627 HA ASP 675 HA ASP 675 -11.965 9.293 -4.692 628 HB2 ASP 675 2HB ASP 675 -13.194 11.373 -4.673 629 HB3 ASP 675 1HB ASP 675 -14.079 10.181 -3.734 630 H GLY 676 H GLY 676 -10.967 10.911 -1.771 631 HA2 GLY 676 2HA GLY 676 -9.086 12.190 -1.201 632 HA3 GLY 676 1HA GLY 676 -8.298 11.432 -2.573 633 H THR 677 H THR 677 -7.814 12.657 -4.259 634 HA THR 677 HA THR 677 -9.270 15.113 -4.710 635 HB THR 677 HB THR 677 -6.247 14.831 -4.585 636 HG1 THR 677 1HG THR 677 -8.172 15.746 -2.926 637 HG21 THR 677 2HG THR 677 -6.973 16.269 -6.540 638 HA PRO 678 HA PRO 678 -9.212 13.191 -8.739 639 HB2 PRO 678 2HB PRO 678 -10.251 15.001 -10.303 640 HB3 PRO 678 1HB PRO 678 -11.183 14.303 -9.010 641 HG2 PRO 678 2HG PRO 678 -9.711 16.919 -8.881 642 HG3 PRO 678 1HG PRO 678 -11.413 16.600 -8.481 643 HD2 PRO 678 2HD PRO 678 -9.520 16.641 -6.551 644 HD3 PRO 678 1HD PRO 678 -10.881 15.493 -6.511 645 H TYR 679 H TYR 679 -8.174 13.157 -10.654 646 HA TYR 679 HA TYR 679 -5.477 13.840 -10.683 647 HB2 TYR 679 2HB TYR 679 -7.188 13.199 -13.103 648 HB3 TYR 679 1HB TYR 679 -5.434 13.283 -13.127 649 HD1 TYR 679 1HD TYR 679 -8.317 11.467 -11.763 650 HD2 TYR 679 2HD TYR 679 -4.135 11.420 -12.406 651 HE1 TYR 679 1HE TYR 679 -8.259 9.114 -11.103 652 HE2 TYR 679 2HE TYR 679 -4.067 9.046 -11.730 653 HH TYR 679 HH TYR 679 -6.896 7.205 -11.323 654 H ASN 680 H ASN 680 -7.285 15.058 -13.419 655 HA ASN 680 HA ASN 680 -7.087 17.819 -13.017 656 HB2 ASN 680 2HB ASN 680 -5.146 18.352 -14.543 657 HB3 ASN 680 1HB ASN 680 -4.665 17.620 -13.021 658 HD21 ASN 680 2HD ASN 680 -3.177 14.832 -14.456 659 H ASN 681 H ASN 681 -8.736 15.655 -14.272 660 HA ASN 681 HA ASN 681 -8.627 16.446 -17.054 661 HB2 ASN 681 2HB ASN 681 -9.985 14.409 -17.438 662 HB3 ASN 681 1HB ASN 681 -8.436 14.044 -16.700 663 HD21 ASN 681 2HD ASN 681 -11.312 12.208 -15.117 664 H GLU 682 H GLU 682 -10.830 16.491 -18.057 665 HA GLU 682 HA GLU 682 -12.304 18.576 -16.870 666 HB2 GLU 682 2HB GLU 682 -12.116 18.233 -19.294 667 HB3 GLU 682 1HB GLU 682 -13.042 16.749 -19.156 668 HG2 GLU 682 2HG GLU 682 -14.980 18.019 -18.411 669 HG3 GLU 682 1HG GLU 682 -14.050 19.512 -18.524 670 H LYS 683 H LYS 683 -12.733 15.129 -16.874 671 HA LYS 683 HA LYS 683 -15.388 15.204 -15.816 672 HB2 LYS 683 2HB LYS 683 -14.617 13.325 -17.162 673 HB3 LYS 683 1HB LYS 683 -13.404 12.940 -15.948 674 HG2 LYS 683 2HG LYS 683 -15.094 12.345 -14.366 675 HG3 LYS 683 1HG LYS 683 -16.365 12.918 -15.442 676 HD2 LYS 683 2HD LYS 683 -16.224 10.500 -15.504 677 HD3 LYS 683 1HD LYS 683 -15.773 11.241 -17.045 678 HE2 LYS 683 2HE LYS 683 -13.431 10.889 -16.591 679 HE3 LYS 683 1HE LYS 683 -13.790 10.283 -14.975 680 HZ1 LYS 683 3HZ LYS 683 -14.588 8.984 -17.531 681 HZ2 LYS 683 1HZ LYS 683 -14.911 8.382 -15.990 682 HZ3 LYS 683 2HZ LYS 683 -13.329 8.496 -16.546 683 H ARG 684 H ARG 684 -12.251 15.613 -14.395 684 HA ARG 684 HA ARG 684 -11.491 15.715 -12.273 685 HB2 ARG 684 2HB ARG 684 -14.429 15.891 -11.508 686 HB3 ARG 684 1HB ARG 684 -13.110 16.123 -10.399 687 HG2 ARG 684 2HG ARG 684 -13.707 17.913 -12.754 688 HG3 ARG 684 1HG ARG 684 -14.278 18.204 -11.121 689 HD2 ARG 684 2HD ARG 684 -12.411 19.561 -11.245 690 HD3 ARG 684 1HD ARG 684 -11.745 18.114 -10.507 691 HE ARG 684 HE ARG 684 -11.482 17.990 -13.306 692 HH12 ARG 684 1HH ARG 684 -8.661 20.080 -11.273 693 HH21 ARG 684 2HH ARG 684 -8.418 19.696 -13.621 694 H THR 685 H THR 685 -10.967 13.431 -12.837 695 HA THR 685 HA THR 685 -12.594 11.420 -11.579 696 HB THR 685 HB THR 685 -9.919 11.222 -12.969 697 HG1 THR 685 1HG THR 685 -11.637 10.037 -14.387 698 HG21 THR 685 2HG THR 685 -10.309 9.484 -11.367 699 HA PRO 686 HA PRO 686 -10.423 11.963 -7.716 700 HB2 PRO 686 2HB PRO 686 -11.409 9.734 -6.513 701 HB3 PRO 686 1HB PRO 686 -12.272 11.259 -6.553 702 HG2 PRO 686 2HG PRO 686 -12.649 8.796 -8.180 703 HG3 PRO 686 1HG PRO 686 -13.857 9.972 -7.641 704 HD2 PRO 686 2HD PRO 686 -12.892 9.839 -10.182 705 HD3 PRO 686 1HD PRO 686 -13.512 11.331 -9.452 706 H ARG 687 H ARG 687 -8.337 11.443 -7.362 707 HA ARG 687 HA ARG 687 -7.200 9.002 -8.316 708 HB2 ARG 687 2HB ARG 687 -6.120 11.240 -6.587 709 HB3 ARG 687 1HB ARG 687 -5.201 9.779 -6.906 710 HG2 ARG 687 2HG ARG 687 -5.284 10.301 -9.325 711 HG3 ARG 687 1HG ARG 687 -6.171 11.764 -8.941 712 HD2 ARG 687 2HD ARG 687 -4.335 12.785 -7.929 713 HD3 ARG 687 1HD ARG 687 -3.507 11.250 -7.665 714 HE ARG 687 HE ARG 687 -3.207 11.127 -10.076 715 HH12 ARG 687 1HH ARG 687 -2.745 15.144 -9.894 716 HH21 ARG 687 2HH ARG 687 -1.890 13.958 -11.714 717 H ALA 688 H ALA 688 -7.528 7.087 -7.322 718 HA ALA 688 HA ALA 688 -7.659 7.196 -4.398 719 HB1 ALA 688 1HB ALA 688 -9.376 5.477 -6.198 720 HB2 ALA 688 2HB ALA 688 -9.925 6.882 -5.285 721 HB3 ALA 688 3HB ALA 688 -9.362 5.445 -4.435 722 H THR 689 H THR 689 -7.134 5.093 -3.453 723 HA THR 689 HA THR 689 -5.128 3.741 -5.096 724 HB THR 689 HB THR 689 -5.140 4.225 -2.106 725 HG1 THR 689 1HG THR 689 -4.654 6.043 -3.353 726 HG21 THR 689 2HG THR 689 -4.051 2.093 -2.686 727 H LEU 690 H LEU 690 -5.236 1.604 -5.284 728 HA LEU 690 HA LEU 690 -7.021 0.099 -3.523 729 HB2 LEU 690 2HB LEU 690 -7.873 0.499 -5.913 730 HB3 LEU 690 1HB LEU 690 -6.500 -0.423 -6.470 731 HG LEU 690 HG LEU 690 -8.528 -1.752 -6.547 732 HD13 LEU 690 1HD LEU 690 -7.897 -3.706 -5.275 733 HD21 LEU 690 2HD LEU 690 -9.810 -0.621 -4.841 734 H ILE 691 H ILE 691 -5.725 -1.159 -2.392 735 HA ILE 691 HA ILE 691 -3.100 -1.882 -3.508 736 HB ILE 691 HB ILE 691 -4.041 -2.093 -0.625 737 HG12 ILE 691 1HG ILE 691 -2.243 -0.015 -1.906 738 HG23 ILE 691 2HG ILE 691 -1.670 -2.404 -0.118 739 HD11 ILE 691 1HD ILE 691 -2.367 1.170 0.211 740 H THR 692 H THR 692 -2.882 -3.888 -4.249 741 HA THR 692 HA THR 692 -4.862 -5.906 -3.507 742 HB THR 692 HB THR 692 -2.846 -5.860 -5.721 743 HG1 THR 692 1HG THR 692 -5.588 -5.523 -6.276 744 HG21 THR 692 2HG THR 692 -5.332 -7.530 -5.335 745 H PHE 693 H PHE 693 -4.230 -7.455 -2.126 746 HA PHE 693 HA PHE 693 -1.407 -7.657 -1.413 747 HB2 PHE 693 2HB PHE 693 -3.909 -8.619 -0.113 748 HB3 PHE 693 1HB PHE 693 -2.304 -8.842 0.571 749 HD1 PHE 693 1HD PHE 693 -4.642 -6.133 -0.526 750 HD2 PHE 693 2HD PHE 693 -1.425 -7.198 2.038 751 HE1 PHE 693 1HE PHE 693 -4.831 -3.986 0.601 752 HE2 PHE 693 2HE PHE 693 -1.608 -5.041 3.162 753 HZ PHE 693 HZ PHE 693 -3.319 -3.429 2.443 754 H LEU 694 H LEU 694 -0.260 -9.346 -1.956 755 HA LEU 694 HA LEU 694 -1.582 -11.850 -2.764 756 HB2 LEU 694 2HB LEU 694 1.095 -10.687 -3.554 757 HB3 LEU 694 1HB LEU 694 0.633 -12.333 -3.885 758 HG LEU 694 HG LEU 694 0.493 -11.016 -5.829 759 HD13 LEU 694 1HD LEU 694 -1.849 -11.425 -6.513 760 HD21 LEU 694 2HD LEU 694 -1.513 -9.263 -4.422 761 H CYS 695 H CYS 695 -0.604 -13.755 -2.011 762 HA CYS 695 HA CYS 695 0.526 -13.437 0.613 763 HB2 CYS 695 2HB CYS 695 -1.128 -15.080 0.362 764 HB3 CYS 695 1HB CYS 695 -0.283 -15.922 -0.918 765 H ASP 696 H ASP 696 2.680 -13.109 0.795 766 HA ASP 696 HA ASP 696 4.487 -14.877 -0.663 767 HB2 ASP 696 2HB ASP 696 4.166 -12.651 -1.930 768 HB3 ASP 696 1HB ASP 696 4.967 -11.906 -0.552 769 H ARG 697 H ARG 697 6.386 -15.276 0.578 770 HA ARG 697 HA ARG 697 5.988 -14.527 3.347 771 HB2 ARG 697 2HB ARG 697 6.324 -16.911 2.674 772 HB3 ARG 697 1HB ARG 697 7.962 -16.516 2.195 773 HG2 ARG 697 2HG ARG 697 7.966 -17.566 4.378 774 HG3 ARG 697 1HG ARG 697 8.456 -15.876 4.540 775 HD2 ARG 697 2HD ARG 697 6.164 -15.286 5.193 776 HD3 ARG 697 1HD ARG 697 5.701 -16.979 5.039 777 HE ARG 697 HE ARG 697 7.861 -16.610 6.848 778 HH12 ARG 697 1HH ARG 697 4.033 -16.554 8.182 779 HH21 ARG 697 2HH ARG 697 5.814 -16.774 9.715 780 H ASP 698 H ASP 698 7.571 -13.045 0.923 781 HA ASP 698 HA ASP 698 10.103 -12.625 2.269 782 HB2 ASP 698 2HB ASP 698 10.021 -12.754 -0.199 783 HB3 ASP 698 1HB ASP 698 8.984 -11.332 -0.208 784 H ALA 699 H ALA 699 10.648 -11.000 3.467 785 HA ALA 699 HA ALA 699 10.656 -9.140 4.683 786 HB1 ALA 699 1HB ALA 699 9.371 -7.150 4.101 787 HB2 ALA 699 2HB ALA 699 8.342 -8.098 3.027 788 HB3 ALA 699 3HB ALA 699 10.048 -7.870 2.639 789 H GLY 700 H GLY 700 7.791 -10.932 4.320 790 HA2 GLY 700 2HA GLY 700 6.580 -11.880 6.084 791 HA3 GLY 700 1HA GLY 700 7.401 -10.790 7.197 792 H VAL 701 H VAL 701 6.807 -8.512 7.031 793 HA VAL 701 HA VAL 701 3.991 -8.177 7.230 794 HB VAL 701 HB VAL 701 5.665 -6.843 8.518 795 HG13 VAL 701 1HG VAL 701 7.325 -6.365 6.858 796 HG21 VAL 701 2HG VAL 701 4.461 -4.693 8.428 797 H GLY 702 H GLY 702 6.370 -7.355 4.815 798 HA2 GLY 702 2HA GLY 702 5.926 -7.670 2.577 799 HA3 GLY 702 1HA GLY 702 4.226 -7.365 2.887 800 H PHE 703 H PHE 703 6.017 -6.291 1.037 801 HA PHE 703 HA PHE 703 5.695 -3.453 1.677 802 HB2 PHE 703 2HB PHE 703 7.627 -2.975 0.177 803 HB3 PHE 703 1HB PHE 703 8.079 -3.960 1.560 804 HD1 PHE 703 1HD PHE 703 8.746 -6.279 1.262 805 HD2 PHE 703 2HD PHE 703 7.653 -3.872 -2.072 806 HE1 PHE 703 1HE PHE 703 9.734 -7.937 -0.260 807 HE2 PHE 703 2HE PHE 703 8.630 -5.522 -3.589 808 HZ PHE 703 HZ PHE 703 9.674 -7.558 -2.692 809 HA PRO 704 HA PRO 704 3.190 -3.487 -2.040 810 HB2 PRO 704 2HB PRO 704 2.706 -0.862 -2.222 811 HB3 PRO 704 1HB PRO 704 1.979 -1.846 -0.950 812 HG2 PRO 704 2HG PRO 704 4.332 -0.007 -0.803 813 HG3 PRO 704 1HG PRO 704 3.021 -0.241 0.363 814 HD2 PRO 704 2HD PRO 704 5.506 -1.390 0.619 815 HD3 PRO 704 1HD PRO 704 4.018 -2.044 1.315 816 H GLU 705 H GLU 705 3.541 -3.302 -4.147 817 HA GLU 705 HA GLU 705 5.845 -1.751 -5.143 818 HB2 GLU 705 2HB GLU 705 6.127 -4.160 -5.396 819 HB3 GLU 705 1HB GLU 705 4.554 -4.306 -6.163 820 HG2 GLU 705 2HG GLU 705 6.257 -4.461 -7.833 821 HG3 GLU 705 1HG GLU 705 5.417 -2.930 -8.041 822 H TYR 706 H TYR 706 5.337 -0.265 -6.728 823 HA TYR 706 HA TYR 706 2.523 0.146 -7.236 824 HB2 TYR 706 2HB TYR 706 3.768 2.151 -6.833 825 HB3 TYR 706 1HB TYR 706 4.922 1.809 -8.103 826 HD1 TYR 706 2HD TYR 706 1.236 2.237 -7.635 827 HD2 TYR 706 1HD TYR 706 4.626 2.871 -10.129 828 HE1 TYR 706 2HE TYR 706 -0.169 3.446 -9.200 829 HE2 TYR 706 1HE TYR 706 3.237 4.099 -11.719 830 HH TYR 706 HH TYR 706 0.178 5.233 -11.001 831 H GLN 707 H GLN 707 1.447 -0.795 -8.751 832 HA GLN 707 HA GLN 707 2.911 -1.970 -10.942 833 HB2 GLN 707 2HB GLN 707 0.035 -2.266 -10.079 834 HB3 GLN 707 1HB GLN 707 0.714 -3.041 -11.505 835 HG2 GLN 707 2HG GLN 707 1.684 -3.446 -8.684 836 HG3 GLN 707 1HG GLN 707 0.640 -4.550 -9.580 837 HE21 GLN 707 2HE GLN 707 4.322 -5.420 -9.834 838 H GLU 708 H GLU 708 -0.295 -0.387 -10.995 839 HA GLU 708 HA GLU 708 0.676 1.605 -12.790 840 HB2 GLU 708 2HB GLU 708 -0.716 0.939 -14.704 841 HB3 GLU 708 1HB GLU 708 0.600 -0.182 -14.386 842 HG2 GLU 708 2HG GLU 708 -0.931 -1.762 -13.394 843 HG3 GLU 708 1HG GLU 708 -2.252 -0.604 -13.509 844 H GLU 709 H GLU 709 -0.524 3.338 -12.410 845 HA GLU 709 HA GLU 709 -3.318 2.988 -11.792 846 HB2 GLU 709 2HB GLU 709 -2.000 4.916 -10.837 847 HB3 GLU 709 1HB GLU 709 -1.770 5.504 -12.473 848 HG2 GLU 709 2HG GLU 709 -4.475 5.200 -11.155 849 HG3 GLU 709 1HG GLU 709 -3.546 6.686 -11.140 850 H ASP 710 H ASP 710 -4.745 2.899 -13.317 851 HA ASP 710 HA ASP 710 -4.399 3.987 -15.930 852 HB2 ASP 710 2HB ASP 710 -2.923 1.996 -16.064 853 HB3 ASP 710 1HB ASP 710 -4.281 0.977 -15.628 854 H ASN 711 H ASN 711 -5.889 1.747 -13.796 855 HA ASN 711 HA ASN 711 -8.498 1.886 -15.001 856 HB2 ASN 711 2HB ASN 711 -9.057 0.369 -13.039 857 HB3 ASN 711 1HB ASN 711 -7.847 -0.238 -14.162 858 HD21 ASN 711 2HD ASN 711 -6.838 0.447 -10.328 859 H SER 712 H SER 712 -7.236 4.410 -13.762 860 HA SER 712 HA SER 712 -7.853 6.225 -12.820 861 HB2 SER 712 2HB SER 712 -10.226 6.766 -12.256 862 HB3 SER 712 1HB SER 712 -10.051 6.076 -13.861 863 HG SER 712 HG SER 712 -10.508 4.028 -12.427 864 H THR 713 H THR 713 -7.338 3.673 -11.207 865 HA THR 713 HA THR 713 -7.365 4.965 -8.631 866 HB THR 713 HB THR 713 -8.088 2.065 -9.197 867 HG1 THR 713 1HG THR 713 -9.744 4.337 -8.713 868 HG21 THR 713 2HG THR 713 -8.828 2.063 -6.848 869 H TYR 714 H TYR 714 -5.377 4.535 -7.627 870 HA TYR 714 HA TYR 714 -3.298 3.384 -9.252 871 HB2 TYR 714 2HB TYR 714 -3.274 4.625 -6.485 872 HB3 TYR 714 1HB TYR 714 -1.837 4.025 -7.301 873 HD1 TYR 714 1HD TYR 714 -4.620 6.485 -7.680 874 HD2 TYR 714 2HD TYR 714 -0.629 5.447 -8.706 875 HE1 TYR 714 1HE TYR 714 -4.342 8.652 -8.776 876 HE2 TYR 714 2HE TYR 714 -0.341 7.620 -9.807 877 HH TYR 714 HH TYR 714 -1.749 9.273 -10.844 878 H ASN 715 H ASN 715 -2.902 1.276 -9.254 879 HA ASN 715 HA ASN 715 -3.627 -0.278 -6.902 880 HB2 ASN 715 2HB ASN 715 -3.189 -0.917 -9.731 881 HB3 ASN 715 1HB ASN 715 -2.966 -2.216 -8.560 882 HD21 ASN 715 2HD ASN 715 -6.413 -2.640 -7.952 883 H PHE 716 H PHE 716 -2.289 -0.993 -5.615 884 HA PHE 716 HA PHE 716 0.526 -1.224 -6.375 885 HB2 PHE 716 2HB PHE 716 -0.659 -0.742 -3.626 886 HB3 PHE 716 1HB PHE 716 1.025 -1.071 -3.954 887 HD1 PHE 716 1HD PHE 716 -1.672 1.375 -4.567 888 HD2 PHE 716 2HD PHE 716 2.491 0.569 -4.655 889 HE1 PHE 716 1HE PHE 716 -1.224 3.759 -4.966 890 HE2 PHE 716 2HE PHE 716 2.945 2.941 -5.054 891 HZ PHE 716 HZ PHE 716 1.109 4.529 -5.218 892 H ARG 717 H ARG 717 1.498 -3.064 -5.945 893 HA ARG 717 HA ARG 717 -0.260 -5.287 -5.232 894 HB2 ARG 717 2HB ARG 717 0.738 -5.391 -7.453 895 HB3 ARG 717 1HB ARG 717 2.333 -5.155 -6.770 896 HG2 ARG 717 2HG ARG 717 2.257 -7.247 -5.714 897 HG3 ARG 717 1HG ARG 717 0.570 -7.500 -6.217 898 HD2 ARG 717 2HD ARG 717 2.944 -7.215 -8.082 899 HD3 ARG 717 1HD ARG 717 2.153 -8.739 -7.678 900 HE ARG 717 HE ARG 717 0.195 -7.038 -8.620 901 HH12 ARG 717 1HH ARG 717 2.482 -8.665 -11.529 902 HH21 ARG 717 2HH ARG 717 0.306 -7.858 -12.026 903 H TRP 718 H TRP 718 0.009 -6.010 -3.259 904 HA TRP 718 HA TRP 718 2.467 -5.315 -1.795 905 HB2 TRP 718 2HB TRP 718 0.178 -4.476 -1.032 906 HB3 TRP 718 1HB TRP 718 -0.227 -6.145 -0.697 907 HD1 TRP 718 HD TRP 718 1.850 -7.291 1.044 908 HE1 TRP 718 1HE TRP 718 2.610 -6.235 3.301 909 HE3 TRP 718 3HE TRP 718 0.323 -2.511 0.261 910 HZ2 TRP 718 2HZ TRP 718 2.553 -3.744 4.534 911 HZ3 TRP 718 3HZ TRP 718 0.691 -0.845 2.046 912 HH2 TRP 718 HH TRP 718 1.788 -1.460 4.121 913 H TYR 719 H TYR 719 3.714 -6.958 -1.118 914 HA TYR 719 HA TYR 719 2.727 -9.686 -1.593 915 HB2 TYR 719 2HB TYR 719 5.592 -8.770 -1.181 916 HB3 TYR 719 1HB TYR 719 5.051 -10.324 -1.804 917 HD1 TYR 719 2HD TYR 719 3.713 -10.270 -4.032 918 HD2 TYR 719 1HD TYR 719 6.140 -7.067 -2.649 919 HE1 TYR 719 2HE TYR 719 3.836 -9.368 -6.323 920 HE2 TYR 719 1HE TYR 719 6.270 -6.171 -4.924 921 HH TYR 719 HH TYR 719 6.043 -6.933 -7.201 922 H THR 720 H THR 720 1.860 -10.389 0.389 923 HA THR 720 HA THR 720 3.504 -9.969 2.762 924 HB THR 720 HB THR 720 1.859 -8.138 2.822 925 HG1 THR 720 1HG THR 720 2.135 -8.557 4.811 926 HG21 THR 720 2HG THR 720 -0.193 -10.351 2.814 927 H SER 721 H SER 721 3.415 -11.519 4.270 928 HA SER 721 HA SER 721 2.439 -14.078 3.553 929 HB2 SER 721 2HB SER 721 3.203 -14.727 5.846 930 HB3 SER 721 1HB SER 721 4.435 -13.861 4.926 931 HG SER 721 HG SER 721 3.959 -11.991 6.135 932 H TYR 722 H TYR 722 1.117 -11.386 5.273 933 HA TYR 722 HA TYR 722 -0.842 -12.732 6.773 934 HB2 TYR 722 2HB TYR 722 -0.686 -9.829 5.915 935 HB3 TYR 722 1HB TYR 722 -1.801 -10.502 7.069 936 HD1 TYR 722 2HD TYR 722 1.847 -9.988 6.513 937 HD2 TYR 722 1HD TYR 722 -1.236 -10.775 9.332 938 HE1 TYR 722 2HE TYR 722 3.448 -9.670 8.353 939 HE2 TYR 722 1HE TYR 722 0.364 -10.450 11.171 940 HH TYR 722 HH TYR 722 2.773 -10.559 11.524 941 H ALA 723 H ALA 723 -0.588 -12.173 3.473 942 HA ALA 723 HA ALA 723 -3.429 -12.020 3.002 943 HB1 ALA 723 1HB ALA 723 -2.872 -12.135 0.625 944 HB2 ALA 723 2HB ALA 723 -1.194 -12.484 1.027 945 HB3 ALA 723 3HB ALA 723 -1.890 -10.920 1.441 946 H CYS 724 H CYS 724 -1.404 -14.405 3.942 947 HA CYS 724 HA CYS 724 -3.045 -16.333 2.673 948 HB2 CYS 724 2HB CYS 724 -0.342 -16.553 3.850 949 HB3 CYS 724 1HB CYS 724 -1.365 -17.970 4.043 950 HA PRO 725 HA PRO 725 -5.111 -16.781 6.713 951 HB2 PRO 725 2HB PRO 725 -5.601 -19.635 6.256 952 HB3 PRO 725 1HB PRO 725 -6.759 -18.310 6.308 953 HG2 PRO 725 2HG PRO 725 -6.131 -19.609 4.015 954 HG3 PRO 725 1HG PRO 725 -6.593 -17.900 4.047 955 HD2 PRO 725 2HD PRO 725 -3.876 -19.131 3.839 956 HD3 PRO 725 1HD PRO 725 -4.549 -17.718 2.994 Start of MODEL 9 1 H1 GLU 578 1HT GLU 578 -12.232 1.810 -10.371 2 H2 GLU 578 2HT GLU 578 -11.805 1.288 -8.850 3 H3 GLU 578 3HT GLU 578 -12.641 2.748 -9.032 4 HA GLU 578 HA GLU 578 -14.109 0.950 -8.283 5 HB2 GLU 578 2HB GLU 578 -15.807 1.117 -10.062 6 HB3 GLU 578 1HB GLU 578 -15.064 2.681 -9.760 7 HG2 GLU 578 2HG GLU 578 -13.666 2.417 -11.722 8 HG3 GLU 578 1HG GLU 578 -14.352 0.823 -12.026 9 H ALA 579 H ALA 579 -15.042 -1.154 -8.744 10 HA ALA 579 HA ALA 579 -13.929 -2.694 -10.915 11 HB1 ALA 579 1HB ALA 579 -13.152 -4.510 -9.454 12 HB2 ALA 579 2HB ALA 579 -13.520 -3.528 -8.035 13 HB3 ALA 579 3HB ALA 579 -12.258 -3.019 -9.158 14 H GLU 580 H GLU 580 -15.495 -3.916 -11.699 15 HA GLU 580 HA GLU 580 -17.945 -4.041 -10.216 16 HB2 GLU 580 2HB GLU 580 -18.904 -4.977 -12.330 17 HB3 GLU 580 1HB GLU 580 -18.227 -3.363 -12.459 18 HG2 GLU 580 2HG GLU 580 -16.221 -4.288 -13.505 19 HG3 GLU 580 1HG GLU 580 -16.895 -5.908 -13.331 20 H ALA 581 H ALA 581 -18.107 -5.539 -8.768 21 HA ALA 581 HA ALA 581 -16.820 -8.081 -9.022 22 HB1 ALA 581 1HB ALA 581 -17.880 -8.598 -6.881 23 HB2 ALA 581 2HB ALA 581 -18.851 -7.131 -7.005 24 HB3 ALA 581 3HB ALA 581 -17.100 -7.015 -6.835 25 H GLU 582 H GLU 582 -17.587 -9.331 -10.562 26 HA GLU 582 HA GLU 582 -20.438 -9.541 -11.033 27 HB2 GLU 582 2HB GLU 582 -18.116 -10.928 -12.359 28 HB3 GLU 582 1HB GLU 582 -19.797 -11.050 -12.853 29 HG2 GLU 582 2HG GLU 582 -19.849 -8.665 -13.324 30 HG3 GLU 582 1HG GLU 582 -18.168 -8.528 -12.814 31 H PHE 583 H PHE 583 -17.888 -11.264 -9.518 32 HA PHE 583 HA PHE 583 -19.738 -13.444 -8.895 33 HB2 PHE 583 2HB PHE 583 -16.731 -13.304 -8.583 34 HB3 PHE 583 1HB PHE 583 -17.731 -14.650 -8.058 35 HD1 PHE 583 1HD PHE 583 -19.034 -15.922 -9.806 36 HD2 PHE 583 2HD PHE 583 -15.948 -13.164 -10.765 37 HE1 PHE 583 1HE PHE 583 -18.822 -16.945 -12.029 38 HE2 PHE 583 2HE PHE 583 -15.729 -14.172 -12.981 39 HZ PHE 583 HZ PHE 583 -17.164 -16.070 -13.626 40 H LEU 584 H LEU 584 -20.358 -13.766 -6.848 41 HA LEU 584 HA LEU 584 -19.694 -11.627 -5.049 42 HB2 LEU 584 2HB LEU 584 -21.754 -13.825 -4.760 43 HB3 LEU 584 1HB LEU 584 -21.430 -12.625 -3.531 44 HG LEU 584 HG LEU 584 -23.427 -12.010 -4.680 45 HD13 LEU 584 1HD LEU 584 -22.039 -10.176 -4.007 46 HD21 LEU 584 2HD LEU 584 -21.844 -12.100 -7.247 47 H SER 585 H SER 585 -17.569 -12.324 -5.015 48 HA SER 585 HA SER 585 -17.039 -14.224 -2.841 49 HB2 SER 585 2HB SER 585 -14.863 -14.538 -4.037 50 HB3 SER 585 1HB SER 585 -16.246 -15.160 -4.947 51 HG SER 585 HG SER 585 -15.108 -13.970 -6.388 52 H ARG 586 H ARG 586 -17.670 -11.415 -3.007 53 HA ARG 586 HA ARG 586 -15.180 -10.153 -2.169 54 HB2 ARG 586 2HB ARG 586 -15.916 -9.319 -4.341 55 HB3 ARG 586 1HB ARG 586 -17.494 -8.955 -3.688 56 HG2 ARG 586 2HG ARG 586 -16.572 -7.216 -2.294 57 HG3 ARG 586 1HG ARG 586 -14.932 -7.629 -2.815 58 HD2 ARG 586 2HD ARG 586 -15.484 -7.045 -5.099 59 HD3 ARG 586 1HD ARG 586 -17.154 -6.724 -4.642 60 HE ARG 586 HE ARG 586 -15.769 -5.047 -3.066 61 HH12 ARG 586 1HH ARG 586 -15.292 -4.015 -6.961 62 HH21 ARG 586 2HH ARG 586 -15.159 -2.338 -5.213 63 H THR 587 H THR 587 -15.212 -9.149 -0.304 64 HA THR 587 HA THR 587 -17.742 -8.569 1.023 65 HB THR 587 HB THR 587 -16.834 -10.728 1.974 66 HG1 THR 587 1HG THR 587 -16.431 -9.475 4.219 67 HG21 THR 587 2HG THR 587 -14.514 -8.970 2.687 68 H GLU 588 H GLU 588 -17.649 -6.670 2.225 69 HA GLU 588 HA GLU 588 -15.054 -5.314 2.139 70 HB2 GLU 588 2HB GLU 588 -16.755 -4.365 0.604 71 HB3 GLU 588 1HB GLU 588 -17.762 -4.022 1.999 72 HG2 GLU 588 2HG GLU 588 -16.010 -2.586 2.912 73 HG3 GLU 588 1HG GLU 588 -15.023 -2.899 1.488 74 H GLY 589 H GLY 589 -14.271 -4.879 4.035 75 HA2 GLY 589 2HA GLY 589 -15.961 -5.111 6.395 76 HA3 GLY 589 1HA GLY 589 -14.200 -5.012 6.378 77 H ASP 590 H ASP 590 -14.470 -3.402 8.046 78 HA ASP 590 HA ASP 590 -15.017 -0.783 6.830 79 HB2 ASP 590 2HB ASP 590 -16.945 -1.319 8.216 80 HB3 ASP 590 1HB ASP 590 -15.885 -1.590 9.603 81 H ASN 591 H ASN 591 -13.308 -2.593 9.248 82 HA ASN 591 HA ASN 591 -11.632 -0.261 9.758 83 HB2 ASN 591 2HB ASN 591 -11.880 -2.866 11.291 84 HB3 ASN 591 1HB ASN 591 -10.793 -1.548 11.716 85 HD21 ASN 591 2HD ASN 591 -14.729 -1.392 12.627 86 H CYS 592 H CYS 592 -9.223 -1.437 10.516 87 HA CYS 592 HA CYS 592 -8.060 -2.017 8.055 88 HB2 CYS 592 2HB CYS 592 -6.739 -2.526 10.683 89 HB3 CYS 592 1HB CYS 592 -6.163 -1.764 9.189 90 H THR 593 H THR 593 -10.116 -4.046 9.303 91 HA THR 593 HA THR 593 -8.492 -6.459 8.981 92 HB THR 593 HB THR 593 -10.111 -7.512 10.614 93 HG1 THR 593 1HG THR 593 -11.713 -5.949 10.547 94 HG21 THR 593 2HG THR 593 -9.033 -6.632 12.628 95 H VAL 594 H VAL 594 -9.590 -8.087 7.794 96 HA VAL 594 HA VAL 594 -12.255 -7.372 6.848 97 HB VAL 594 HB VAL 594 -10.585 -6.796 5.090 98 HG13 VAL 594 1HG VAL 594 -9.481 -8.569 3.811 99 HG21 VAL 594 2HG VAL 594 -12.856 -7.328 4.429 100 H PHE 595 H PHE 595 -13.686 -9.046 6.626 101 HA PHE 595 HA PHE 595 -12.619 -11.721 6.971 102 HB2 PHE 595 2HB PHE 595 -13.495 -11.195 9.161 103 HB3 PHE 595 1HB PHE 595 -15.001 -10.591 8.463 104 HD1 PHE 595 2HD PHE 595 -12.957 -13.664 8.101 105 HD2 PHE 595 1HD PHE 595 -16.786 -11.999 8.815 106 HE1 PHE 595 2HE PHE 595 -13.877 -15.900 8.158 107 HE2 PHE 595 1HE PHE 595 -17.747 -14.259 8.887 108 HZ PHE 595 HZ PHE 595 -16.277 -16.220 8.571 109 H ASP 596 H ASP 596 -13.310 -13.141 5.534 110 HA ASP 596 HA ASP 596 -15.514 -12.304 3.773 111 HB2 ASP 596 2HB ASP 596 -14.473 -13.451 2.064 112 HB3 ASP 596 1HB ASP 596 -13.150 -12.532 2.818 113 H SER 597 H SER 597 -17.180 -13.515 3.454 114 HA SER 597 HA SER 597 -17.721 -15.544 5.307 115 HB2 SER 597 2HB SER 597 -19.836 -15.742 3.986 116 HB3 SER 597 1HB SER 597 -19.470 -14.127 4.600 117 HG SER 597 HG SER 597 -18.724 -14.929 1.966 118 H GLN 598 H GLN 598 -16.428 -15.610 2.043 119 HA GLN 598 HA GLN 598 -17.289 -18.278 1.754 120 HB2 GLN 598 2HB GLN 598 -16.119 -18.213 -0.408 121 HB3 GLN 598 1HB GLN 598 -17.574 -17.222 -0.291 122 HG2 GLN 598 2HG GLN 598 -14.677 -16.361 -0.305 123 HG3 GLN 598 1HG GLN 598 -15.808 -16.175 -1.637 124 HE21 GLN 598 2HE GLN 598 -15.304 -13.007 0.291 125 H ALA 599 H ALA 599 -14.065 -16.817 2.240 126 HA ALA 599 HA ALA 599 -12.934 -19.465 2.190 127 HB1 ALA 599 1HB ALA 599 -10.869 -18.334 2.871 128 HB2 ALA 599 2HB ALA 599 -11.771 -16.853 3.162 129 HB3 ALA 599 3HB ALA 599 -11.594 -17.465 1.508 130 H GLY 600 H GLY 600 -14.368 -17.216 4.305 131 HA2 GLY 600 2HA GLY 600 -14.996 -17.365 6.488 132 HA3 GLY 600 1HA GLY 600 -14.514 -19.062 6.442 133 H PHE 601 H PHE 601 -12.457 -16.229 5.742 134 HA PHE 601 HA PHE 601 -11.079 -16.868 8.243 135 HB2 PHE 601 2HB PHE 601 -9.738 -16.385 5.593 136 HB3 PHE 601 1HB PHE 601 -8.897 -16.324 7.129 137 HD1 PHE 601 2HD PHE 601 -9.231 -18.541 8.587 138 HD2 PHE 601 1HD PHE 601 -9.627 -18.271 4.371 139 HE1 PHE 601 2HE PHE 601 -8.750 -20.948 8.392 140 HE2 PHE 601 1HE PHE 601 -9.163 -20.670 4.159 141 HZ PHE 601 HZ PHE 601 -8.720 -22.015 6.169 142 H SER 602 H SER 602 -10.538 -15.233 9.446 143 HA SER 602 HA SER 602 -11.151 -12.617 8.412 144 HB2 SER 602 2HB SER 602 -11.051 -11.972 10.833 145 HB3 SER 602 1HB SER 602 -12.195 -13.274 10.486 146 HG SER 602 HG SER 602 -9.958 -13.294 12.054 147 H PHE 603 H PHE 603 -9.608 -11.174 7.999 148 HA PHE 603 HA PHE 603 -6.864 -12.000 8.563 149 HB2 PHE 603 2HB PHE 603 -7.981 -10.717 6.070 150 HB3 PHE 603 1HB PHE 603 -6.260 -10.789 6.418 151 HD1 PHE 603 1HD PHE 603 -5.068 -12.893 6.315 152 HD2 PHE 603 2HD PHE 603 -9.247 -12.805 5.349 153 HE1 PHE 603 1HE PHE 603 -4.904 -15.095 5.264 154 HE2 PHE 603 2HE PHE 603 -9.039 -14.961 4.321 155 HZ PHE 603 HZ PHE 603 -6.881 -16.133 4.266 156 H ASP 604 H ASP 604 -5.595 -10.624 9.566 157 HA ASP 604 HA ASP 604 -6.644 -7.938 10.257 158 HB2 ASP 604 2HB ASP 604 -4.331 -9.478 11.458 159 HB3 ASP 604 1HB ASP 604 -5.008 -7.966 12.037 160 H LEU 605 H LEU 605 -5.988 -6.426 8.909 161 HA LEU 605 HA LEU 605 -3.258 -6.610 8.029 162 HB2 LEU 605 2HB LEU 605 -5.591 -5.028 6.956 163 HB3 LEU 605 1HB LEU 605 -3.948 -4.717 6.449 164 HG LEU 605 HG LEU 605 -5.062 -6.011 4.790 165 HD13 LEU 605 1HD LEU 605 -2.707 -6.463 5.072 166 HD21 LEU 605 2HD LEU 605 -6.782 -7.118 6.123 167 H THR 606 H THR 606 -4.661 -5.713 10.562 168 HA THR 606 HA THR 606 -4.370 -3.066 11.105 169 HB THR 606 HB THR 606 -3.948 -5.265 13.108 170 HG1 THR 606 1HG THR 606 -6.212 -5.626 12.952 171 HG21 THR 606 2HG THR 606 -4.070 -2.879 13.784 172 HA PRO 607 HA PRO 607 0.127 -4.259 12.934 173 HB2 PRO 607 2HB PRO 607 1.297 -6.391 11.617 174 HB3 PRO 607 1HB PRO 607 0.516 -6.494 13.200 175 HG2 PRO 607 2HG PRO 607 -0.579 -7.159 10.500 176 HG3 PRO 607 1HG PRO 607 -0.750 -8.042 12.025 177 HD2 PRO 607 2HD PRO 607 -2.733 -6.526 11.103 178 HD3 PRO 607 1HD PRO 607 -2.347 -6.568 12.836 179 H LEU 608 H LEU 608 -0.940 -4.470 9.704 180 HA LEU 608 HA LEU 608 1.516 -3.841 8.388 181 HB2 LEU 608 2HB LEU 608 -1.352 -3.882 7.495 182 HB3 LEU 608 1HB LEU 608 -0.053 -3.365 6.432 183 HG LEU 608 HG LEU 608 -0.775 -5.667 5.961 184 HD13 LEU 608 1HD LEU 608 1.500 -5.072 5.529 185 HD21 LEU 608 2HD LEU 608 -0.450 -7.462 7.521 186 H THR 609 H THR 609 -0.728 -2.021 10.126 187 HA THR 609 HA THR 609 -0.413 0.487 8.707 188 HB THR 609 HB THR 609 -1.363 0.012 11.550 189 HG1 THR 609 1HG THR 609 -2.841 0.025 9.122 190 HG21 THR 609 2HG THR 609 -2.014 2.137 9.522 191 H LYS 610 H LYS 610 1.089 1.933 8.874 192 HA LYS 610 HA LYS 610 2.800 1.933 11.252 193 HB2 LYS 610 2HB LYS 610 3.699 2.221 8.381 194 HB3 LYS 610 1HB LYS 610 4.683 2.592 9.781 195 HG2 LYS 610 2HG LYS 610 4.487 0.235 10.473 196 HG3 LYS 610 1HG LYS 610 3.623 -0.104 8.975 197 HD2 LYS 610 2HD LYS 610 5.564 0.606 7.682 198 HD3 LYS 610 1HD LYS 610 6.427 1.012 9.161 199 HE2 LYS 610 2HE LYS 610 5.482 -1.743 8.350 200 HE3 LYS 610 1HE LYS 610 7.142 -1.158 8.285 201 HZ1 LYS 610 3HZ LYS 610 5.521 -1.507 10.764 202 HZ2 LYS 610 1HZ LYS 610 7.098 -0.928 10.711 203 HZ3 LYS 610 2HZ LYS 610 6.766 -2.503 10.235 204 H LYS 611 H LYS 611 3.278 3.977 11.983 205 HA LYS 611 HA LYS 611 1.680 6.130 11.003 206 HB2 LYS 611 2HB LYS 611 2.597 5.700 13.391 207 HB3 LYS 611 1HB LYS 611 4.059 6.386 12.780 208 HG2 LYS 611 2HG LYS 611 3.085 8.491 12.270 209 HG3 LYS 611 1HG LYS 611 1.465 7.896 12.612 210 HD2 LYS 611 2HD LYS 611 2.259 9.274 14.436 211 HD3 LYS 611 1HD LYS 611 2.088 7.606 14.974 212 HE2 LYS 611 2HE LYS 611 4.487 7.274 14.721 213 HE3 LYS 611 1HE LYS 611 4.671 8.932 14.144 214 HZ1 LYS 611 3HZ LYS 611 3.867 9.700 16.295 215 HZ2 LYS 611 1HZ LYS 611 5.251 8.725 16.441 216 HZ3 LYS 611 2HZ LYS 611 3.746 8.093 16.834 217 H ASP 612 H ASP 612 4.998 5.231 10.953 218 HA ASP 612 HA ASP 612 6.129 7.361 9.461 219 HB2 ASP 612 2HB ASP 612 6.847 4.495 9.784 220 HB3 ASP 612 1HB ASP 612 7.868 5.556 8.794 221 H ALA 613 H ALA 613 4.272 4.640 8.638 222 HA ALA 613 HA ALA 613 3.243 3.892 6.804 223 HB1 ALA 613 1HB ALA 613 2.498 6.172 6.596 224 HB2 ALA 613 2HB ALA 613 2.793 5.476 4.991 225 HB3 ALA 613 3HB ALA 613 3.960 6.584 5.716 226 H TYR 614 H TYR 614 3.553 3.695 4.283 227 HA TYR 614 HA TYR 614 6.277 2.681 3.955 228 HB2 TYR 614 2HB TYR 614 3.668 1.894 2.639 229 HB3 TYR 614 1HB TYR 614 5.235 1.201 2.250 230 HD1 TYR 614 2HD TYR 614 2.900 1.668 5.187 231 HD2 TYR 614 1HD TYR 614 5.902 -0.781 3.349 232 HE1 TYR 614 2HE TYR 614 2.554 -0.016 6.848 233 HE2 TYR 614 1HE TYR 614 5.543 -2.476 5.042 234 HH TYR 614 HH TYR 614 2.833 -2.311 7.139 235 H LYS 615 H LYS 615 7.463 3.473 2.309 236 HA LYS 615 HA LYS 615 6.087 5.233 0.397 237 HB2 LYS 615 2HB LYS 615 7.696 6.488 1.734 238 HB3 LYS 615 1HB LYS 615 8.993 5.414 1.311 239 HG2 LYS 615 2HG LYS 615 8.429 5.997 -1.094 240 HG3 LYS 615 1HG LYS 615 7.491 7.335 -0.442 241 HD2 LYS 615 2HD LYS 615 10.427 6.744 -0.022 242 HD3 LYS 615 1HD LYS 615 9.800 8.050 -1.037 243 HE2 LYS 615 2HE LYS 615 8.840 9.034 1.052 244 HE3 LYS 615 1HE LYS 615 9.645 7.754 1.958 245 HZ1 LYS 615 3HZ LYS 615 10.975 9.781 1.972 246 HZ2 LYS 615 1HZ LYS 615 10.991 9.811 0.292 247 HZ3 LYS 615 2HZ LYS 615 11.783 8.584 1.097 248 H VAL 616 H VAL 616 6.064 4.566 -1.561 249 HA VAL 616 HA VAL 616 8.000 2.559 -2.487 250 HB VAL 616 HB VAL 616 5.481 3.548 -3.796 251 HG13 VAL 616 1HG VAL 616 5.669 1.491 -5.197 252 HG21 VAL 616 2HG VAL 616 4.410 1.422 -3.107 253 H GLU 617 H GLU 617 9.333 3.177 -4.186 254 HA GLU 617 HA GLU 617 9.140 6.016 -4.950 255 HB2 GLU 617 2HB GLU 617 11.618 4.384 -4.431 256 HB3 GLU 617 1HB GLU 617 11.618 6.009 -5.101 257 HG2 GLU 617 2HG GLU 617 10.608 6.866 -3.071 258 HG3 GLU 617 1HG GLU 617 10.541 5.240 -2.398 259 H THR 618 H THR 618 9.389 6.581 -7.109 260 HA THR 618 HA THR 618 10.029 4.384 -8.906 261 HB THR 618 HB THR 618 8.537 5.508 -10.564 262 HG1 THR 618 1HG THR 618 7.104 7.106 -9.718 263 HG21 THR 618 2HG THR 618 7.589 3.749 -9.097 264 H ASP 619 H ASP 619 10.263 6.053 -11.147 265 HA ASP 619 HA ASP 619 12.883 7.038 -10.751 266 HB2 ASP 619 2HB ASP 619 11.020 7.486 -13.086 267 HB3 ASP 619 1HB ASP 619 12.707 7.971 -13.057 268 H LYS 620 H LYS 620 9.773 8.586 -10.693 269 HA LYS 620 HA LYS 620 11.131 11.123 -10.004 270 HB2 LYS 620 2HB LYS 620 8.879 10.827 -11.977 271 HB3 LYS 620 1HB LYS 620 9.445 12.350 -11.333 272 HG2 LYS 620 2HG LYS 620 11.514 12.163 -12.485 273 HG3 LYS 620 1HG LYS 620 11.194 10.479 -12.912 274 HD2 LYS 620 2HD LYS 620 10.797 12.040 -14.806 275 HD3 LYS 620 1HD LYS 620 9.360 11.137 -14.328 276 HE2 LYS 620 2HE LYS 620 8.590 13.083 -13.043 277 HE3 LYS 620 1HE LYS 620 10.008 13.989 -13.572 278 HZ1 LYS 620 3HZ LYS 620 9.206 13.732 -15.873 279 HZ2 LYS 620 1HZ LYS 620 8.090 14.545 -14.917 280 HZ3 LYS 620 2HZ LYS 620 7.839 12.932 -15.330 281 H TYR 621 H TYR 621 8.827 8.921 -9.078 282 HA TYR 621 HA TYR 621 7.584 10.997 -7.455 283 HB2 TYR 621 2HB TYR 621 6.147 8.749 -8.892 284 HB3 TYR 621 1HB TYR 621 5.396 9.869 -7.753 285 HD1 TYR 621 1HD TYR 621 6.786 9.475 -11.122 286 HD2 TYR 621 2HD TYR 621 4.947 12.173 -8.413 287 HE1 TYR 621 1HE TYR 621 6.417 11.062 -12.966 288 HE2 TYR 621 2HE TYR 621 4.566 13.760 -10.259 289 HH TYR 621 HH TYR 621 5.544 14.278 -12.438 290 H GLU 622 H GLU 622 6.613 10.136 -5.524 291 HA GLU 622 HA GLU 622 7.409 7.429 -4.894 292 HB2 GLU 622 2HB GLU 622 7.903 8.008 -2.608 293 HB3 GLU 622 1HB GLU 622 8.880 9.061 -3.621 294 HG2 GLU 622 2HG GLU 622 7.420 10.914 -3.208 295 HG3 GLU 622 1HG GLU 622 6.251 9.870 -2.431 296 H PHE 623 H PHE 623 5.898 6.439 -3.666 297 HA PHE 623 HA PHE 623 3.417 7.973 -3.361 298 HB2 PHE 623 2HB PHE 623 3.677 4.969 -3.686 299 HB3 PHE 623 1HB PHE 623 2.185 5.896 -3.621 300 HD1 PHE 623 2HD PHE 623 1.555 7.346 -5.559 301 HD2 PHE 623 1HD PHE 623 4.904 4.718 -5.714 302 HE1 PHE 623 2HE PHE 623 1.608 7.534 -7.999 303 HE2 PHE 623 1HE PHE 623 4.947 4.905 -8.128 304 HZ PHE 623 HZ PHE 623 3.321 6.295 -9.291 305 H HIS 624 H HIS 624 3.020 8.303 -1.237 306 HA HIS 624 HA HIS 624 4.223 6.411 0.629 307 HB2 HIS 624 2HB HIS 624 4.206 9.262 0.575 308 HB3 HIS 624 1HB HIS 624 3.027 8.764 1.762 309 HD1 HIS 624 1HD HIS 624 6.623 9.104 1.265 310 HD2 HIS 624 2HD HIS 624 4.040 7.154 3.861 311 HE1 HIS 624 1HE HIS 624 8.036 8.381 3.210 312 HE2 HIS 624 2HE HIS 624 6.341 7.670 4.920 313 H ILE 625 H ILE 625 2.829 5.059 1.566 314 HA ILE 625 HA ILE 625 -0.000 5.785 1.704 315 HB ILE 625 HB ILE 625 -0.709 3.627 0.812 316 HG12 ILE 625 1HG ILE 625 2.236 3.104 0.501 317 HG23 ILE 625 2HG ILE 625 -0.432 5.440 -0.831 318 HD11 ILE 625 1HD ILE 625 1.017 2.175 -1.489 319 H ASN 626 H ASN 626 -1.103 4.554 3.199 320 HA ASN 626 HA ASN 626 0.504 2.814 4.947 321 HB2 ASN 626 2HB ASN 626 0.289 5.047 6.010 322 HB3 ASN 626 1HB ASN 626 -1.462 4.919 5.889 323 HD21 ASN 626 2HD ASN 626 -1.345 3.781 9.152 324 H VAL 627 H VAL 627 -0.708 1.131 5.922 325 HA VAL 627 HA VAL 627 -3.177 0.431 4.552 326 HB VAL 627 HB VAL 627 -1.642 -1.029 6.720 327 HG13 VAL 627 1HG VAL 627 -4.083 -1.492 6.880 328 HG21 VAL 627 2HG VAL 627 -2.021 -1.549 3.780 329 H CYS 628 H CYS 628 -4.831 1.470 5.093 330 HA CYS 628 HA CYS 628 -6.692 1.911 6.218 331 HB2 CYS 628 2HB CYS 628 -6.445 -0.200 7.399 332 HB3 CYS 628 1HB CYS 628 -5.281 0.511 8.497 333 H GLY 629 H GLY 629 -7.411 3.638 7.220 334 HA2 GLY 629 2HA GLY 629 -7.454 5.576 8.556 335 HA3 GLY 629 1HA GLY 629 -5.902 5.112 9.219 336 HA PRO 630 HA PRO 630 -4.707 8.339 6.446 337 HB2 PRO 630 2HB PRO 630 -3.515 9.824 8.276 338 HB3 PRO 630 1HB PRO 630 -5.264 9.824 7.984 339 HG2 PRO 630 2HG PRO 630 -3.736 8.634 10.259 340 HG3 PRO 630 1HG PRO 630 -5.445 9.153 10.219 341 HD2 PRO 630 2HD PRO 630 -4.220 6.579 9.929 342 HD3 PRO 630 1HD PRO 630 -5.946 7.003 9.972 343 H VAL 631 H VAL 631 -2.577 9.248 6.074 344 HA VAL 631 HA VAL 631 -0.402 7.450 6.822 345 HB VAL 631 HB VAL 631 -1.018 7.535 4.391 346 HG13 VAL 631 1HG VAL 631 -0.087 10.397 4.401 347 HG21 VAL 631 2HG VAL 631 1.179 6.848 4.977 348 H SER 632 H SER 632 1.235 8.402 7.998 349 HA SER 632 HA SER 632 0.958 11.250 8.329 350 HB2 SER 632 2HB SER 632 2.622 9.305 9.937 351 HB3 SER 632 1HB SER 632 2.381 11.023 10.288 352 HG SER 632 HG SER 632 0.347 9.053 10.157 353 H VAL 633 H VAL 633 1.738 11.770 6.345 354 HA VAL 633 HA VAL 633 4.672 11.471 6.040 355 HB VAL 633 HB VAL 633 2.853 12.583 3.892 356 HG13 VAL 633 1HG VAL 633 4.613 11.889 2.392 357 HG21 VAL 633 2HG VAL 633 2.735 10.429 2.871 358 H GLY 634 H GLY 634 5.885 13.251 6.386 359 HA2 GLY 634 2HA GLY 634 4.591 15.695 7.132 360 HA3 GLY 634 1HA GLY 634 6.324 15.408 7.063 361 H ALA 635 H ALA 635 3.932 15.037 4.532 362 HA ALA 635 HA ALA 635 4.892 17.422 3.148 363 HB1 ALA 635 1HB ALA 635 6.344 15.618 2.330 364 HB2 ALA 635 2HB ALA 635 5.292 16.224 1.051 365 HB3 ALA 635 3HB ALA 635 4.923 14.692 1.849 366 H CYS 636 H CYS 636 2.413 15.257 4.024 367 HA CYS 636 HA CYS 636 0.571 16.550 2.186 368 HB2 CYS 636 2HB CYS 636 0.709 13.597 2.822 369 HB3 CYS 636 1HB CYS 636 -0.567 14.372 1.893 370 HA PRO 637 HA PRO 637 -1.943 17.181 5.782 371 HB2 PRO 637 2HB PRO 637 -4.268 16.130 4.286 372 HB3 PRO 637 1HB PRO 637 -4.054 17.701 5.052 373 HG2 PRO 637 2HG PRO 637 -3.968 17.437 2.394 374 HG3 PRO 637 1HG PRO 637 -2.926 18.588 3.245 375 HD2 PRO 637 2HD PRO 637 -2.262 15.931 2.069 376 HD3 PRO 637 1HD PRO 637 -1.292 17.418 2.139 377 HA PRO 638 HA PRO 638 -2.241 13.149 7.763 378 HB2 PRO 638 2HB PRO 638 -4.072 14.523 9.641 379 HB3 PRO 638 1HB PRO 638 -2.556 13.676 9.969 380 HG2 PRO 638 2HG PRO 638 -2.646 16.323 10.088 381 HG3 PRO 638 1HG PRO 638 -1.249 15.502 9.368 382 HD2 PRO 638 2HD PRO 638 -3.570 16.820 8.008 383 HD3 PRO 638 1HD PRO 638 -1.829 16.928 7.651 384 H ASP 639 H ASP 639 -4.877 14.871 6.497 385 HA ASP 639 HA ASP 639 -6.916 12.938 7.164 386 HB2 ASP 639 2HB ASP 639 -6.961 15.172 5.150 387 HB3 ASP 639 1HB ASP 639 -8.339 14.159 5.573 388 H SER 640 H SER 640 -4.389 12.837 5.096 389 HA SER 640 HA SER 640 -5.840 11.327 3.087 390 HB2 SER 640 2HB SER 640 -4.318 13.099 2.288 391 HB3 SER 640 1HB SER 640 -2.982 12.334 3.142 392 HG SER 640 HG SER 640 -4.285 11.600 0.799 393 H GLY 641 H GLY 641 -5.381 9.203 2.735 394 HA2 GLY 641 2HA GLY 641 -3.753 7.843 4.781 395 HA3 GLY 641 1HA GLY 641 -5.052 7.080 3.866 396 H ALA 642 H ALA 642 -3.778 8.741 1.541 397 HA ALA 642 HA ALA 642 -1.277 7.408 1.053 398 HB1 ALA 642 1HB ALA 642 -2.781 5.664 0.279 399 HB2 ALA 642 2HB ALA 642 -2.084 6.475 -1.112 400 HB3 ALA 642 3HB ALA 642 -3.732 6.857 -0.635 401 H CYS 643 H CYS 643 -0.050 8.849 0.116 402 HA CYS 643 HA CYS 643 -1.249 10.853 -1.601 403 HB2 CYS 643 2HB CYS 643 -1.261 11.874 0.615 404 HB3 CYS 643 1HB CYS 643 0.452 11.523 0.804 405 H GLN 644 H GLN 644 0.022 11.431 -3.238 406 HA GLN 644 HA GLN 644 2.707 10.243 -3.299 407 HB2 GLN 644 2HB GLN 644 2.596 10.731 -5.671 408 HB3 GLN 644 1HB GLN 644 1.518 9.388 -5.193 409 HG2 GLN 644 2HG GLN 644 -0.339 10.981 -5.329 410 HG3 GLN 644 1HG GLN 644 0.770 12.273 -5.734 411 HE21 GLN 644 2HE GLN 644 1.427 10.256 -8.915 412 H VAL 645 H VAL 645 4.429 11.477 -3.865 413 HA VAL 645 HA VAL 645 3.931 14.220 -4.516 414 HB VAL 645 HB VAL 645 4.339 14.277 -2.081 415 HG13 VAL 645 1HG VAL 645 6.976 12.987 -2.667 416 HG21 VAL 645 2HG VAL 645 6.676 15.373 -3.640 417 H SER 646 H SER 646 5.183 14.982 -5.968 418 HA SER 646 HA SER 646 6.842 13.168 -7.423 419 HB2 SER 646 2HB SER 646 5.397 14.778 -8.586 420 HB3 SER 646 1HB SER 646 6.283 16.108 -7.841 421 HG SER 646 HG SER 646 6.931 15.500 -10.051 422 H ARG 647 H ARG 647 8.862 12.826 -6.850 423 HA ARG 647 HA ARG 647 10.335 14.600 -5.173 424 HB2 ARG 647 2HB ARG 647 12.148 13.005 -5.382 425 HB3 ARG 647 1HB ARG 647 10.643 12.105 -5.319 426 HG2 ARG 647 2HG ARG 647 10.726 11.961 -7.800 427 HG3 ARG 647 1HG ARG 647 12.371 12.599 -7.700 428 HD2 ARG 647 2HD ARG 647 11.316 10.079 -6.426 429 HD3 ARG 647 1HD ARG 647 12.438 10.198 -7.779 430 HE ARG 647 HE ARG 647 13.804 11.484 -5.969 431 HH12 ARG 647 1HH ARG 647 12.969 7.867 -4.329 432 HH21 ARG 647 2HH ARG 647 14.786 9.128 -3.553 433 H SER 648 H SER 648 9.686 14.333 -8.458 434 HA SER 648 HA SER 648 11.941 15.752 -9.523 435 HB2 SER 648 2HB SER 648 10.667 13.989 -10.792 436 HB3 SER 648 1HB SER 648 9.276 15.044 -10.740 437 HG SER 648 HG SER 648 11.737 15.814 -11.869 438 H ASP 649 H ASP 649 8.500 16.451 -8.917 439 HA ASP 649 HA ASP 649 8.903 19.238 -9.826 440 HB2 ASP 649 2HB ASP 649 6.274 17.842 -9.344 441 HB3 ASP 649 1HB ASP 649 6.523 19.383 -10.142 442 H ARG 650 H ARG 650 8.325 17.444 -7.076 443 HA ARG 650 HA ARG 650 7.936 17.851 -4.871 444 HB2 ARG 650 2HB ARG 650 8.423 20.748 -5.627 445 HB3 ARG 650 1HB ARG 650 8.142 20.220 -3.976 446 HG2 ARG 650 2HG ARG 650 10.423 19.333 -5.738 447 HG3 ARG 650 1HG ARG 650 10.523 20.523 -4.436 448 HD2 ARG 650 2HD ARG 650 9.823 18.795 -2.829 449 HD3 ARG 650 1HD ARG 650 9.760 17.613 -4.130 450 HE ARG 650 HE ARG 650 12.282 18.814 -4.057 451 HH12 ARG 650 1HH ARG 650 11.550 15.669 -1.554 452 HH21 ARG 650 2HH ARG 650 13.835 16.288 -2.109 453 H LYS 651 H LYS 651 5.952 18.017 -6.988 454 HA LYS 651 HA LYS 651 3.641 19.405 -5.883 455 HB2 LYS 651 2HB LYS 651 4.058 17.468 -8.146 456 HB3 LYS 651 1HB LYS 651 2.506 18.150 -7.720 457 HG2 LYS 651 2HG LYS 651 4.871 19.779 -8.466 458 HG3 LYS 651 1HG LYS 651 3.775 19.124 -9.673 459 HD2 LYS 651 2HD LYS 651 1.936 20.203 -8.357 460 HD3 LYS 651 1HD LYS 651 3.188 21.082 -7.455 461 HE2 LYS 651 2HE LYS 651 4.038 21.894 -9.685 462 HE3 LYS 651 1HE LYS 651 2.614 21.108 -10.380 463 HZ1 LYS 651 3HZ LYS 651 2.536 23.339 -8.415 464 HZ2 LYS 651 1HZ LYS 651 1.187 22.570 -9.091 465 HZ3 LYS 651 2HZ LYS 651 2.226 23.469 -10.060 466 H SER 652 H SER 652 2.008 18.301 -4.671 467 HA SER 652 HA SER 652 2.266 15.415 -4.638 468 HB2 SER 652 2HB SER 652 1.539 15.347 -2.321 469 HB3 SER 652 1HB SER 652 3.084 16.149 -2.499 470 HG SER 652 HG SER 652 2.119 18.136 -2.224 471 H TRP 653 H TRP 653 0.392 14.247 -4.365 472 HA TRP 653 HA TRP 653 -2.080 15.706 -4.942 473 HB2 TRP 653 2HB TRP 653 -1.064 13.257 -6.406 474 HB3 TRP 653 1HB TRP 653 -2.649 13.968 -6.648 475 HD1 TRP 653 HD TRP 653 -2.705 16.363 -7.961 476 HE1 TRP 653 1HE TRP 653 -0.998 17.454 -9.596 477 HE3 TRP 653 3HE TRP 653 1.414 13.502 -6.945 478 HZ2 TRP 653 2HZ TRP 653 1.657 17.129 -10.335 479 HZ3 TRP 653 3HZ TRP 653 3.465 13.935 -8.115 480 HH2 TRP 653 HH TRP 653 3.599 15.760 -9.819 481 H ASN 654 H ASN 654 -3.964 14.575 -4.265 482 HA ASN 654 HA ASN 654 -3.409 12.823 -1.998 483 HB2 ASN 654 2HB ASN 654 -4.992 14.959 -1.844 484 HB3 ASN 654 1HB ASN 654 -5.980 14.038 -2.874 485 HD21 ASN 654 2HD ASN 654 -7.606 13.206 0.076 486 H LEU 655 H LEU 655 -3.732 10.720 -2.139 487 HA LEU 655 HA LEU 655 -5.065 9.686 -4.530 488 HB2 LEU 655 2HB LEU 655 -3.169 8.351 -2.619 489 HB3 LEU 655 1HB LEU 655 -3.791 7.688 -4.112 490 HG LEU 655 HG LEU 655 -1.911 10.012 -3.846 491 HD13 LEU 655 1HD LEU 655 -0.855 7.881 -3.415 492 HD21 LEU 655 2HD LEU 655 -3.106 8.718 -6.274 493 H GLY 656 H GLY 656 -5.973 10.487 -1.640 494 HA2 GLY 656 2HA GLY 656 -8.305 9.356 -1.416 495 HA3 GLY 656 1HA GLY 656 -7.284 7.978 -1.019 496 H ARG 657 H ARG 657 -9.213 9.995 0.399 497 HA ARG 657 HA ARG 657 -7.653 11.037 2.498 498 HB2 ARG 657 2HB ARG 657 -10.643 10.544 2.344 499 HB3 ARG 657 1HB ARG 657 -9.778 11.524 3.533 500 HG2 ARG 657 2HG ARG 657 -9.105 13.096 1.891 501 HG3 ARG 657 1HG ARG 657 -9.736 12.084 0.595 502 HD2 ARG 657 2HD ARG 657 -11.997 12.401 1.393 503 HD3 ARG 657 1HD ARG 657 -11.414 13.332 2.770 504 HE ARG 657 HE ARG 657 -10.470 14.866 1.002 505 HH12 ARG 657 1HH ARG 657 -14.160 14.227 -0.537 506 HH21 ARG 657 2HH ARG 657 -12.975 16.193 -1.057 507 H SER 658 H SER 658 -8.223 10.362 4.797 508 HA SER 658 HA SER 658 -7.322 7.794 5.355 509 HB2 SER 658 2HB SER 658 -9.122 9.451 7.127 510 HB3 SER 658 1HB SER 658 -7.947 8.228 7.612 511 HG SER 658 HG SER 658 -6.483 9.788 6.299 512 H ASN 659 H ASN 659 -8.277 5.859 5.162 513 HA ASN 659 HA ASN 659 -11.116 5.461 5.603 514 HB2 ASN 659 2HB ASN 659 -10.856 6.220 3.204 515 HB3 ASN 659 1HB ASN 659 -9.841 4.809 2.943 516 HD21 ASN 659 2HD ASN 659 -12.715 3.284 1.793 517 H ALA 660 H ALA 660 -11.552 3.032 5.440 518 HA ALA 660 HA ALA 660 -9.112 1.441 5.730 519 HB1 ALA 660 1HB ALA 660 -9.763 0.515 7.831 520 HB2 ALA 660 2HB ALA 660 -11.274 1.447 7.843 521 HB3 ALA 660 3HB ALA 660 -9.703 2.248 7.985 522 H LYS 661 H LYS 661 -11.354 1.640 3.785 523 HA LYS 661 HA LYS 661 -13.000 -0.632 4.348 524 HB2 LYS 661 2HB LYS 661 -12.747 0.868 1.733 525 HB3 LYS 661 1HB LYS 661 -14.013 -0.255 2.189 526 HG2 LYS 661 2HG LYS 661 -13.496 2.375 3.501 527 HG3 LYS 661 1HG LYS 661 -14.757 2.024 2.321 528 HD2 LYS 661 2HD LYS 661 -15.655 0.325 3.885 529 HD3 LYS 661 1HD LYS 661 -14.428 0.857 5.057 530 HE2 LYS 661 2HE LYS 661 -15.294 3.064 5.073 531 HE3 LYS 661 1HE LYS 661 -16.416 2.655 3.771 532 HZ1 LYS 661 3HZ LYS 661 -17.579 1.187 5.243 533 HZ2 LYS 661 1HZ LYS 661 -17.530 2.718 5.913 534 HZ3 LYS 661 2HZ LYS 661 -16.545 1.525 6.554 535 H LEU 662 H LEU 662 -11.789 -2.394 4.525 536 HA LEU 662 HA LEU 662 -10.092 -3.208 2.338 537 HB2 LEU 662 2HB LEU 662 -10.827 -4.552 4.922 538 HB3 LEU 662 1HB LEU 662 -9.862 -5.321 3.677 539 HG LEU 662 HG LEU 662 -9.064 -2.811 5.167 540 HD13 LEU 662 1HD LEU 662 -8.176 -5.666 5.393 541 HD21 LEU 662 2HD LEU 662 -7.484 -4.637 3.373 542 H SER 663 H SER 663 -10.555 -4.630 0.918 543 HA SER 663 HA SER 663 -13.218 -5.847 0.984 544 HB2 SER 663 2HB SER 663 -11.743 -4.747 -1.417 545 HB3 SER 663 1HB SER 663 -13.347 -5.493 -1.421 546 HG SER 663 HG SER 663 -13.003 -3.461 0.376 547 H TYR 664 H TYR 664 -13.230 -7.947 0.462 548 HA TYR 664 HA TYR 664 -10.615 -9.178 -0.168 549 HB2 TYR 664 2HB TYR 664 -12.123 -9.814 2.054 550 HB3 TYR 664 1HB TYR 664 -12.976 -10.622 0.806 551 HD1 TYR 664 2HD TYR 664 -11.720 -12.204 -0.775 552 HD2 TYR 664 1HD TYR 664 -10.350 -11.053 3.055 553 HE1 TYR 664 2HE TYR 664 -10.293 -14.181 -0.720 554 HE2 TYR 664 1HE TYR 664 -8.894 -13.039 3.130 555 HH TYR 664 HH TYR 664 -8.832 -15.234 2.137 556 H TYR 665 H TYR 665 -10.575 -10.192 -2.118 557 HA TYR 665 HA TYR 665 -13.122 -11.017 -3.370 558 HB2 TYR 665 2HB TYR 665 -11.991 -9.017 -4.523 559 HB3 TYR 665 1HB TYR 665 -10.626 -10.095 -4.833 560 HD1 TYR 665 1HD TYR 665 -14.202 -9.589 -5.428 561 HD2 TYR 665 2HD TYR 665 -10.712 -11.692 -6.604 562 HE1 TYR 665 1HE TYR 665 -15.408 -10.464 -7.316 563 HE2 TYR 665 2HE TYR 665 -11.905 -12.605 -8.540 564 HH TYR 665 HH TYR 665 -14.318 -13.081 -9.075 565 H ASP 666 H ASP 666 -13.071 -13.149 -3.881 566 HA ASP 666 HA ASP 666 -11.485 -14.944 -2.579 567 HB2 ASP 666 2HB ASP 666 -13.423 -15.713 -3.768 568 HB3 ASP 666 1HB ASP 666 -12.700 -15.334 -5.335 569 H GLY 667 H GLY 667 -9.446 -15.307 -2.472 570 HA2 GLY 667 2HA GLY 667 -7.462 -16.120 -3.597 571 HA3 GLY 667 1HA GLY 667 -7.818 -14.979 -4.881 572 H MET 668 H MET 668 -8.360 -12.617 -3.335 573 HA MET 668 HA MET 668 -5.825 -12.200 -1.899 574 HB2 MET 668 2HB MET 668 -6.666 -10.373 -4.170 575 HB3 MET 668 1HB MET 668 -5.313 -10.153 -3.072 576 HG2 MET 668 2HG MET 668 -4.431 -10.884 -5.146 577 HG3 MET 668 1HG MET 668 -4.308 -12.244 -4.037 578 HE1 MET 668 3HE MET 668 -3.897 -12.504 -7.159 579 HE2 MET 668 1HE MET 668 -4.816 -13.968 -7.506 580 HE3 MET 668 2HE MET 668 -3.825 -13.873 -6.052 581 H ILE 669 H ILE 669 -5.748 -9.725 -1.290 582 HA ILE 669 HA ILE 669 -8.391 -8.874 -0.340 583 HB ILE 669 HB ILE 669 -5.734 -8.540 1.123 584 HG12 ILE 669 1HG ILE 669 -8.107 -10.275 1.835 585 HG23 ILE 669 2HG ILE 669 -7.268 -6.673 1.506 586 HD11 ILE 669 1HD ILE 669 -5.440 -10.025 3.192 587 H GLN 670 H GLN 670 -8.811 -6.712 -0.668 588 HA GLN 670 HA GLN 670 -6.674 -5.084 -1.823 589 HB2 GLN 670 2HB GLN 670 -9.509 -5.390 -2.836 590 HB3 GLN 670 1HB GLN 670 -8.428 -4.101 -3.344 591 HG2 GLN 670 2HG GLN 670 -6.932 -5.645 -4.367 592 HG3 GLN 670 1HG GLN 670 -7.793 -7.037 -3.692 593 HE21 GLN 670 2HE GLN 670 -9.951 -4.996 -6.484 594 H LEU 671 H LEU 671 -6.732 -2.940 -1.267 595 HA LEU 671 HA LEU 671 -8.771 -2.162 0.740 596 HB2 LEU 671 2HB LEU 671 -6.314 -2.466 1.497 597 HB3 LEU 671 1HB LEU 671 -5.957 -1.049 0.533 598 HG LEU 671 HG LEU 671 -7.727 -1.176 2.985 599 HD13 LEU 671 1HD LEU 671 -5.978 0.145 4.058 600 HD21 LEU 671 2HD LEU 671 -6.893 1.249 1.391 601 H THR 672 H THR 672 -9.949 -0.432 0.156 602 HA THR 672 HA THR 672 -9.140 0.992 -2.280 603 HB THR 672 HB THR 672 -11.901 0.680 -1.074 604 HG1 THR 672 1HG THR 672 -10.323 -0.988 -2.482 605 HG21 THR 672 2HG THR 672 -10.974 1.541 -3.831 606 H TYR 673 H TYR 673 -8.716 3.146 -2.060 607 HA TYR 673 HA TYR 673 -9.663 4.418 0.366 608 HB2 TYR 673 2HB TYR 673 -7.326 5.055 -1.372 609 HB3 TYR 673 1HB TYR 673 -8.033 6.315 -0.353 610 HD1 TYR 673 1HD TYR 673 -8.238 5.889 2.080 611 HD2 TYR 673 2HD TYR 673 -5.807 3.448 -0.405 612 HE1 TYR 673 1HE TYR 673 -7.067 5.077 4.059 613 HE2 TYR 673 2HE TYR 673 -4.613 2.619 1.600 614 HH TYR 673 HH TYR 673 -4.199 3.386 4.017 615 H ARG 674 H ARG 674 -9.844 6.950 -0.066 616 HA ARG 674 HA ARG 674 -12.288 7.038 -1.600 617 HB2 ARG 674 2HB ARG 674 -11.013 9.097 0.180 618 HB3 ARG 674 1HB ARG 674 -12.550 9.290 -0.653 619 HG2 ARG 674 2HG ARG 674 -11.902 7.196 1.414 620 HG3 ARG 674 1HG ARG 674 -12.881 8.639 1.686 621 HD2 ARG 674 2HD ARG 674 -14.491 7.851 0.012 622 HD3 ARG 674 1HD ARG 674 -13.515 6.404 -0.245 623 HE ARG 674 HE ARG 674 -14.306 6.795 2.459 624 HH12 ARG 674 1HH ARG 674 -16.420 4.381 -0.003 625 HH21 ARG 674 2HH ARG 674 -16.834 4.399 2.300 626 H ASP 675 H ASP 675 -12.762 9.282 -2.567 627 HA ASP 675 HA ASP 675 -11.692 9.386 -5.074 628 HB2 ASP 675 2HB ASP 675 -12.859 11.550 -5.288 629 HB3 ASP 675 1HB ASP 675 -13.866 10.376 -4.441 630 H GLY 676 H GLY 676 -10.876 11.149 -2.360 631 HA2 GLY 676 2HA GLY 676 -8.888 12.229 -1.642 632 HA3 GLY 676 1HA GLY 676 -8.092 11.441 -2.987 633 H THR 677 H THR 677 -7.538 12.624 -4.684 634 HA THR 677 HA THR 677 -8.799 15.174 -5.008 635 HB THR 677 HB THR 677 -5.830 14.687 -4.959 636 HG1 THR 677 1HG THR 677 -7.718 16.059 -3.441 637 HG21 THR 677 2HG THR 677 -5.517 16.997 -5.756 638 HA PRO 678 HA PRO 678 -9.072 13.070 -8.998 639 HB2 PRO 678 2HB PRO 678 -10.641 14.751 -10.289 640 HB3 PRO 678 1HB PRO 678 -11.270 13.741 -9.039 641 HG2 PRO 678 2HG PRO 678 -10.448 16.586 -8.845 642 HG3 PRO 678 1HG PRO 678 -11.901 15.803 -8.195 643 HD2 PRO 678 2HD PRO 678 -9.738 16.315 -6.608 644 HD3 PRO 678 1HD PRO 678 -10.763 14.879 -6.374 645 H TYR 679 H TYR 679 -8.395 13.287 -11.032 646 HA TYR 679 HA TYR 679 -6.036 14.637 -11.666 647 HB2 TYR 679 2HB TYR 679 -8.170 13.727 -13.616 648 HB3 TYR 679 1HB TYR 679 -6.534 14.192 -14.011 649 HD1 TYR 679 1HD TYR 679 -8.402 11.683 -11.976 650 HD2 TYR 679 2HD TYR 679 -4.959 12.567 -14.292 651 HE1 TYR 679 1HE TYR 679 -7.760 9.330 -11.902 652 HE2 TYR 679 2HE TYR 679 -4.295 10.219 -14.212 653 HH TYR 679 HH TYR 679 -4.674 8.215 -12.903 654 H ASN 680 H ASN 680 -5.858 16.098 -13.617 655 HA ASN 680 HA ASN 680 -7.579 18.435 -13.316 656 HB2 ASN 680 2HB ASN 680 -4.936 18.037 -14.729 657 HB3 ASN 680 1HB ASN 680 -5.821 19.554 -14.719 658 HD21 ASN 680 2HD ASN 680 -3.573 18.433 -11.572 659 H ASN 681 H ASN 681 -8.312 15.895 -14.705 660 HA ASN 681 HA ASN 681 -8.204 16.526 -17.506 661 HB2 ASN 681 2HB ASN 681 -9.312 14.360 -17.817 662 HB3 ASN 681 1HB ASN 681 -7.909 14.188 -16.776 663 HD21 ASN 681 2HD ASN 681 -10.965 12.354 -15.524 664 H GLU 682 H GLU 682 -10.351 16.204 -18.677 665 HA GLU 682 HA GLU 682 -11.979 18.380 -18.058 666 HB2 GLU 682 2HB GLU 682 -12.683 15.971 -19.727 667 HB3 GLU 682 1HB GLU 682 -13.481 17.531 -19.772 668 HG2 GLU 682 2HG GLU 682 -11.431 18.564 -20.586 669 HG3 GLU 682 1HG GLU 682 -10.628 16.992 -20.531 670 H LYS 683 H LYS 683 -12.348 14.995 -17.376 671 HA LYS 683 HA LYS 683 -15.021 15.163 -16.401 672 HB2 LYS 683 2HB LYS 683 -14.162 13.178 -17.476 673 HB3 LYS 683 1HB LYS 683 -12.977 12.975 -16.198 674 HG2 LYS 683 2HG LYS 683 -14.764 12.594 -14.588 675 HG3 LYS 683 1HG LYS 683 -15.968 12.834 -15.857 676 HD2 LYS 683 2HD LYS 683 -15.040 10.994 -17.086 677 HD3 LYS 683 1HD LYS 683 -13.839 10.712 -15.820 678 HE2 LYS 683 2HE LYS 683 -15.679 10.274 -14.210 679 HE3 LYS 683 1HE LYS 683 -16.845 10.528 -15.509 680 HZ1 LYS 683 3HZ LYS 683 -15.910 8.611 -16.660 681 HZ2 LYS 683 1HZ LYS 683 -16.443 8.173 -15.117 682 HZ3 LYS 683 2HZ LYS 683 -14.805 8.370 -15.411 683 H ARG 684 H ARG 684 -11.821 15.517 -14.837 684 HA ARG 684 HA ARG 684 -11.153 15.475 -12.703 685 HB2 ARG 684 2HB ARG 684 -13.937 16.580 -12.205 686 HB3 ARG 684 1HB ARG 684 -12.792 16.324 -10.905 687 HG2 ARG 684 2HG ARG 684 -12.800 18.647 -11.539 688 HG3 ARG 684 1HG ARG 684 -11.255 17.932 -11.974 689 HD2 ARG 684 2HD ARG 684 -12.068 17.717 -14.297 690 HD3 ARG 684 1HD ARG 684 -13.561 18.522 -13.829 691 HE ARG 684 HE ARG 684 -11.377 20.097 -13.063 692 HH12 ARG 684 1HH ARG 684 -12.615 20.489 -16.904 693 HH21 ARG 684 2HH ARG 684 -11.285 22.134 -15.923 694 H THR 685 H THR 685 -10.940 13.409 -13.157 695 HA THR 685 HA THR 685 -12.801 11.513 -12.054 696 HB THR 685 HB THR 685 -10.062 11.155 -13.287 697 HG1 THR 685 1HG THR 685 -11.656 10.229 -14.959 698 HG21 THR 685 2HG THR 685 -10.684 9.366 -11.820 699 HA PRO 686 HA PRO 686 -10.765 11.826 -8.059 700 HB2 PRO 686 2HB PRO 686 -11.728 9.491 -6.997 701 HB3 PRO 686 1HB PRO 686 -12.601 10.999 -7.027 702 HG2 PRO 686 2HG PRO 686 -12.853 8.705 -8.943 703 HG3 PRO 686 1HG PRO 686 -14.132 9.689 -8.203 704 HD2 PRO 686 2HD PRO 686 -13.336 10.103 -10.712 705 HD3 PRO 686 1HD PRO 686 -13.774 11.462 -9.660 706 H ARG 687 H ARG 687 -8.838 11.234 -7.492 707 HA ARG 687 HA ARG 687 -7.577 8.997 -8.874 708 HB2 ARG 687 2HB ARG 687 -6.657 11.282 -9.153 709 HB3 ARG 687 1HB ARG 687 -6.457 11.396 -7.419 710 HG2 ARG 687 2HG ARG 687 -4.874 9.525 -7.532 711 HG3 ARG 687 1HG ARG 687 -5.034 9.565 -9.296 712 HD2 ARG 687 2HD ARG 687 -4.149 11.901 -7.599 713 HD3 ARG 687 1HD ARG 687 -3.051 10.823 -8.437 714 HE ARG 687 HE ARG 687 -4.007 11.614 -10.522 715 HH12 ARG 687 1HH ARG 687 -4.728 15.073 -8.545 716 HH21 ARG 687 2HH ARG 687 -4.149 15.151 -10.793 717 H ALA 688 H ALA 688 -7.493 7.199 -7.640 718 HA ALA 688 HA ALA 688 -7.377 7.502 -4.715 719 HB1 ALA 688 1HB ALA 688 -9.148 5.588 -6.235 720 HB2 ALA 688 2HB ALA 688 -9.682 7.045 -5.398 721 HB3 ALA 688 3HB ALA 688 -9.001 5.702 -4.478 722 H THR 689 H THR 689 -6.838 5.428 -3.640 723 HA THR 689 HA THR 689 -4.781 3.981 -5.166 724 HB THR 689 HB THR 689 -4.961 4.445 -2.177 725 HG1 THR 689 1HG THR 689 -4.511 6.311 -3.287 726 HG21 THR 689 2HG THR 689 -2.650 3.605 -2.143 727 H LEU 690 H LEU 690 -4.940 1.797 -5.294 728 HA LEU 690 HA LEU 690 -6.817 0.406 -3.540 729 HB2 LEU 690 2HB LEU 690 -7.617 0.718 -5.931 730 HB3 LEU 690 1HB LEU 690 -6.227 -0.193 -6.459 731 HG LEU 690 HG LEU 690 -8.277 -1.520 -6.541 732 HD13 LEU 690 1HD LEU 690 -6.240 -2.734 -6.126 733 HD21 LEU 690 2HD LEU 690 -8.437 -1.081 -3.574 734 H ILE 691 H ILE 691 -5.606 -0.867 -2.306 735 HA ILE 691 HA ILE 691 -2.966 -1.712 -3.305 736 HB ILE 691 HB ILE 691 -4.048 -1.834 -0.464 737 HG12 ILE 691 1HG ILE 691 -2.120 0.153 -1.693 738 HG23 ILE 691 2HG ILE 691 -1.239 -2.179 -1.541 739 HD11 ILE 691 1HD ILE 691 -2.304 1.397 0.376 740 H THR 692 H THR 692 -2.623 -3.862 -3.817 741 HA THR 692 HA THR 692 -4.774 -5.703 -3.144 742 HB THR 692 HB THR 692 -2.817 -5.781 -5.396 743 HG1 THR 692 1HG THR 692 -4.713 -4.131 -5.045 744 HG21 THR 692 2HG THR 692 -3.821 -7.959 -4.830 745 H PHE 693 H PHE 693 -4.166 -7.164 -1.779 746 HA PHE 693 HA PHE 693 -1.362 -7.526 -1.050 747 HB2 PHE 693 2HB PHE 693 -3.931 -8.393 0.160 748 HB3 PHE 693 1HB PHE 693 -2.347 -8.592 0.918 749 HD1 PHE 693 1HD PHE 693 -4.779 -6.005 -0.222 750 HD2 PHE 693 2HD PHE 693 -1.401 -6.822 2.222 751 HE1 PHE 693 1HE PHE 693 -5.019 -3.825 0.839 752 HE2 PHE 693 2HE PHE 693 -1.630 -4.636 3.276 753 HZ PHE 693 HZ PHE 693 -3.447 -3.133 2.587 754 H LEU 694 H LEU 694 -0.333 -9.420 -1.446 755 HA LEU 694 HA LEU 694 -1.936 -11.618 -2.609 756 HB2 LEU 694 2HB LEU 694 0.921 -10.934 -3.245 757 HB3 LEU 694 1HB LEU 694 -0.089 -12.123 -4.031 758 HG LEU 694 HG LEU 694 -0.409 -9.161 -4.131 759 HD13 LEU 694 1HD LEU 694 1.509 -9.936 -5.399 760 HD21 LEU 694 2HD LEU 694 -1.982 -11.299 -5.563 761 H CYS 695 H CYS 695 -0.989 -13.665 -2.354 762 HA CYS 695 HA CYS 695 0.689 -14.000 0.037 763 HB2 CYS 695 2HB CYS 695 -1.404 -15.334 0.148 764 HB3 CYS 695 1HB CYS 695 -1.043 -16.043 -1.416 765 H ASP 696 H ASP 696 2.581 -13.437 -1.004 766 HA ASP 696 HA ASP 696 3.826 -15.517 -2.544 767 HB2 ASP 696 2HB ASP 696 2.392 -14.495 -4.292 768 HB3 ASP 696 1HB ASP 696 3.191 -12.954 -4.029 769 H ARG 697 H ARG 697 6.038 -15.288 -2.653 770 HA ARG 697 HA ARG 697 8.092 -14.439 -2.529 771 HB2 ARG 697 2HB ARG 697 7.476 -12.687 -3.960 772 HB3 ARG 697 1HB ARG 697 6.627 -11.827 -2.692 773 HG2 ARG 697 2HG ARG 697 8.782 -11.342 -1.619 774 HG3 ARG 697 1HG ARG 697 9.608 -12.190 -2.933 775 HD2 ARG 697 2HD ARG 697 8.846 -10.618 -4.535 776 HD3 ARG 697 1HD ARG 697 7.738 -9.879 -3.382 777 HE ARG 697 HE ARG 697 10.125 -9.578 -2.228 778 HH12 ARG 697 1HH ARG 697 9.910 -7.394 -5.642 779 HH21 ARG 697 2HH ARG 697 11.346 -6.719 -3.874 780 H ASP 698 H ASP 698 6.552 -12.006 -0.468 781 HA ASP 698 HA ASP 698 8.543 -12.771 1.519 782 HB2 ASP 698 2HB ASP 698 7.141 -10.132 1.149 783 HB3 ASP 698 1HB ASP 698 8.041 -10.529 2.604 784 H ALA 699 H ALA 699 8.002 -13.796 3.199 785 HA ALA 699 HA ALA 699 5.234 -13.682 4.045 786 HB1 ALA 699 1HB ALA 699 6.111 -15.937 3.658 787 HB2 ALA 699 2HB ALA 699 5.710 -15.698 5.360 788 HB3 ALA 699 3HB ALA 699 7.392 -15.643 4.833 789 H GLY 700 H GLY 700 5.480 -11.585 4.921 790 HA2 GLY 700 2HA GLY 700 5.984 -11.615 7.665 791 HA3 GLY 700 1HA GLY 700 7.247 -10.741 6.788 792 H VAL 701 H VAL 701 6.580 -8.732 7.579 793 HA VAL 701 HA VAL 701 3.964 -7.790 7.355 794 HB VAL 701 HB VAL 701 5.749 -6.728 8.723 795 HG13 VAL 701 1HG VAL 701 6.823 -5.607 6.159 796 HG21 VAL 701 2HG VAL 701 4.353 -4.866 6.818 797 H GLY 702 H GLY 702 6.670 -7.602 5.124 798 HA2 GLY 702 2HA GLY 702 6.629 -7.531 2.849 799 HA3 GLY 702 1HA GLY 702 4.876 -7.473 2.913 800 H PHE 703 H PHE 703 6.942 -6.011 1.518 801 HA PHE 703 HA PHE 703 6.086 -3.283 2.185 802 HB2 PHE 703 2HB PHE 703 8.511 -4.174 0.590 803 HB3 PHE 703 1HB PHE 703 8.085 -2.503 0.952 804 HD1 PHE 703 2HD PHE 703 8.313 -1.634 3.220 805 HD2 PHE 703 1HD PHE 703 9.469 -5.604 2.268 806 HE1 PHE 703 2HE PHE 703 9.553 -1.775 5.337 807 HE2 PHE 703 1HE PHE 703 10.712 -5.757 4.383 808 HZ PHE 703 HZ PHE 703 10.756 -3.844 5.919 809 HA PRO 704 HA PRO 704 3.655 -3.466 -1.483 810 HB2 PRO 704 2HB PRO 704 3.141 -0.847 -1.854 811 HB3 PRO 704 1HB PRO 704 2.418 -1.787 -0.545 812 HG2 PRO 704 2HG PRO 704 4.742 0.089 -0.463 813 HG3 PRO 704 1HG PRO 704 3.423 -0.110 0.703 814 HD2 PRO 704 2HD PRO 704 5.909 -1.188 1.049 815 HD3 PRO 704 1HD PRO 704 4.428 -1.893 1.724 816 H GLU 705 H GLU 705 3.806 -3.381 -3.594 817 HA GLU 705 HA GLU 705 6.108 -2.090 -4.909 818 HB2 GLU 705 2HB GLU 705 4.344 -4.411 -5.611 819 HB3 GLU 705 1HB GLU 705 5.406 -3.754 -6.799 820 HG2 GLU 705 2HG GLU 705 6.178 -4.950 -4.160 821 HG3 GLU 705 1HG GLU 705 6.272 -5.762 -5.739 822 H TYR 706 H TYR 706 5.618 -0.695 -6.473 823 HA TYR 706 HA TYR 706 2.825 0.046 -6.732 824 HB2 TYR 706 2HB TYR 706 4.295 1.941 -6.694 825 HB3 TYR 706 1HB TYR 706 5.304 1.290 -7.970 826 HD1 TYR 706 2HD TYR 706 1.711 2.107 -7.419 827 HD2 TYR 706 1HD TYR 706 5.067 2.256 -10.020 828 HE1 TYR 706 2HE TYR 706 0.382 3.301 -9.031 829 HE2 TYR 706 1HE TYR 706 3.751 3.478 -11.663 830 HH TYR 706 HH TYR 706 0.813 4.902 -10.978 831 H GLN 707 H GLN 707 1.478 -0.988 -8.071 832 HA GLN 707 HA GLN 707 2.533 -2.856 -9.846 833 HB2 GLN 707 2HB GLN 707 0.518 -3.010 -8.385 834 HB3 GLN 707 1HB GLN 707 -0.266 -1.863 -9.452 835 HG2 GLN 707 2HG GLN 707 -0.915 -3.915 -9.853 836 HG3 GLN 707 1HG GLN 707 0.026 -3.471 -11.308 837 HE21 GLN 707 2HE GLN 707 2.580 -5.861 -10.547 838 H GLU 708 H GLU 708 0.042 -0.387 -10.439 839 HA GLU 708 HA GLU 708 1.282 1.138 -12.375 840 HB2 GLU 708 2HB GLU 708 0.246 0.242 -14.457 841 HB3 GLU 708 1HB GLU 708 1.468 -0.818 -13.772 842 HG2 GLU 708 2HG GLU 708 -0.299 -2.238 -12.829 843 HG3 GLU 708 1HG GLU 708 -1.519 -1.166 -13.504 844 H GLU 709 H GLU 709 0.064 2.901 -12.379 845 HA GLU 709 HA GLU 709 -2.763 2.656 -11.808 846 HB2 GLU 709 2HB GLU 709 -1.404 4.531 -10.835 847 HB3 GLU 709 1HB GLU 709 -1.092 5.118 -12.450 848 HG2 GLU 709 2HG GLU 709 -3.864 4.941 -11.274 849 HG3 GLU 709 1HG GLU 709 -2.833 6.349 -11.077 850 H ASP 710 H ASP 710 -4.186 2.518 -13.297 851 HA ASP 710 HA ASP 710 -3.747 3.453 -16.019 852 HB2 ASP 710 2HB ASP 710 -2.751 1.205 -16.102 853 HB3 ASP 710 1HB ASP 710 -4.225 0.523 -15.428 854 H ASN 711 H ASN 711 -5.694 1.912 -13.617 855 HA ASN 711 HA ASN 711 -8.140 2.412 -15.096 856 HB2 ASN 711 2HB ASN 711 -9.225 1.068 -13.347 857 HB3 ASN 711 1HB ASN 711 -7.847 0.220 -14.021 858 HD21 ASN 711 2HD ASN 711 -6.069 0.083 -11.003 859 H SER 712 H SER 712 -6.367 4.579 -13.727 860 HA SER 712 HA SER 712 -6.702 6.589 -12.865 861 HB2 SER 712 2HB SER 712 -9.632 5.845 -12.566 862 HB3 SER 712 1HB SER 712 -8.967 7.469 -12.365 863 HG SER 712 HG SER 712 -8.187 6.349 -14.684 864 H THR 713 H THR 713 -6.924 3.840 -11.309 865 HA THR 713 HA THR 713 -6.714 5.117 -8.711 866 HB THR 713 HB THR 713 -7.780 2.352 -9.375 867 HG1 THR 713 1HG THR 713 -8.981 4.760 -9.317 868 HG21 THR 713 2HG THR 713 -7.628 3.835 -6.748 869 H TYR 714 H TYR 714 -4.856 4.620 -7.677 870 HA TYR 714 HA TYR 714 -2.782 3.292 -9.172 871 HB2 TYR 714 2HB TYR 714 -2.780 4.590 -6.447 872 HB3 TYR 714 1HB TYR 714 -1.361 3.858 -7.181 873 HD1 TYR 714 1HD TYR 714 -3.837 6.579 -7.565 874 HD2 TYR 714 2HD TYR 714 -0.052 5.064 -8.731 875 HE1 TYR 714 1HE TYR 714 -3.312 8.698 -8.679 876 HE2 TYR 714 2HE TYR 714 0.466 7.166 -9.836 877 HH TYR 714 HH TYR 714 -1.207 9.946 -9.264 878 H ASN 715 H ASN 715 -2.490 1.206 -9.095 879 HA ASN 715 HA ASN 715 -3.426 -0.282 -6.763 880 HB2 ASN 715 2HB ASN 715 -2.693 -0.989 -9.530 881 HB3 ASN 715 1HB ASN 715 -2.690 -2.266 -8.312 882 HD21 ASN 715 2HD ASN 715 -6.186 -2.552 -8.256 883 H PHE 716 H PHE 716 -2.147 -1.241 -5.446 884 HA PHE 716 HA PHE 716 0.693 -1.403 -6.098 885 HB2 PHE 716 2HB PHE 716 -0.501 -0.888 -3.356 886 HB3 PHE 716 1HB PHE 716 1.162 -1.294 -3.665 887 HD1 PHE 716 1HD PHE 716 -1.381 1.308 -4.363 888 HD2 PHE 716 2HD PHE 716 2.726 0.232 -4.358 889 HE1 PHE 716 1HE PHE 716 -0.760 3.648 -4.819 890 HE2 PHE 716 2HE PHE 716 3.343 2.552 -4.813 891 HZ PHE 716 HZ PHE 716 1.641 4.246 -5.054 892 H ARG 717 H ARG 717 1.742 -3.173 -5.583 893 HA ARG 717 HA ARG 717 0.079 -5.516 -5.066 894 HB2 ARG 717 2HB ARG 717 1.150 -5.531 -7.214 895 HB3 ARG 717 1HB ARG 717 2.678 -5.037 -6.535 896 HG2 ARG 717 2HG ARG 717 3.044 -7.148 -5.606 897 HG3 ARG 717 1HG ARG 717 1.381 -7.667 -5.929 898 HD2 ARG 717 2HD ARG 717 2.986 -8.615 -7.541 899 HD3 ARG 717 1HD ARG 717 1.798 -7.582 -8.321 900 HE ARG 717 HE ARG 717 3.880 -5.908 -7.947 901 HH12 ARG 717 1HH ARG 717 4.913 -8.947 -10.467 902 HH21 ARG 717 2HH ARG 717 6.087 -6.832 -10.569 903 H TRP 718 H TRP 718 0.283 -6.299 -3.052 904 HA TRP 718 HA TRP 718 2.703 -5.548 -1.544 905 HB2 TRP 718 2HB TRP 718 0.462 -4.510 -0.891 906 HB3 TRP 718 1HB TRP 718 -0.034 -6.125 -0.416 907 HD1 TRP 718 HD TRP 718 2.221 -7.172 1.340 908 HE1 TRP 718 1HE TRP 718 2.936 -5.979 3.526 909 HE3 TRP 718 3HE TRP 718 0.392 -2.516 0.371 910 HZ2 TRP 718 2HZ TRP 718 2.743 -3.444 4.658 911 HZ3 TRP 718 3HZ TRP 718 0.689 -0.760 2.070 912 HH2 TRP 718 HH TRP 718 1.844 -1.219 4.158 913 H TYR 719 H TYR 719 3.909 -7.221 -0.945 914 HA TYR 719 HA TYR 719 2.777 -9.908 -1.020 915 HB2 TYR 719 2HB TYR 719 5.641 -8.952 -0.840 916 HB3 TYR 719 1HB TYR 719 5.139 -10.636 -0.919 917 HD1 TYR 719 2HD TYR 719 3.656 -11.257 -2.949 918 HD2 TYR 719 1HD TYR 719 6.177 -7.851 -2.827 919 HE1 TYR 719 2HE TYR 719 3.678 -11.205 -5.401 920 HE2 TYR 719 1HE TYR 719 6.202 -7.783 -5.286 921 HH TYR 719 HH TYR 719 5.867 -9.354 -7.130 922 H THR 720 H THR 720 1.868 -10.424 0.887 923 HA THR 720 HA THR 720 3.383 -9.899 3.319 924 HB THR 720 HB THR 720 1.874 -7.995 3.126 925 HG1 THR 720 1HG THR 720 2.029 -8.431 5.163 926 HG21 THR 720 2HG THR 720 -0.573 -8.343 3.113 927 H SER 721 H SER 721 3.053 -11.382 4.953 928 HA SER 721 HA SER 721 1.921 -13.867 4.227 929 HB2 SER 721 2HB SER 721 2.454 -14.423 6.630 930 HB3 SER 721 1HB SER 721 3.827 -13.853 5.677 931 HG SER 721 HG SER 721 3.157 -12.912 7.924 932 H TYR 722 H TYR 722 0.670 -10.981 5.744 933 HA TYR 722 HA TYR 722 -1.355 -12.231 7.262 934 HB2 TYR 722 2HB TYR 722 -1.014 -9.357 6.433 935 HB3 TYR 722 1HB TYR 722 -2.225 -9.962 7.537 936 HD1 TYR 722 1HD TYR 722 -1.675 -10.770 9.725 937 HD2 TYR 722 2HD TYR 722 1.344 -9.281 7.135 938 HE1 TYR 722 1HE TYR 722 -0.133 -10.657 11.606 939 HE2 TYR 722 2HE TYR 722 2.902 -9.154 9.008 940 HH TYR 722 HH TYR 722 2.237 -10.688 11.958 941 H ALA 723 H ALA 723 -1.105 -11.665 3.992 942 HA ALA 723 HA ALA 723 -4.014 -11.546 3.629 943 HB1 ALA 723 1HB ALA 723 -3.505 -11.214 1.257 944 HB2 ALA 723 2HB ALA 723 -1.788 -11.436 1.593 945 HB3 ALA 723 3HB ALA 723 -2.644 -10.052 2.272 946 H CYS 724 H CYS 724 -1.945 -13.839 4.359 947 HA CYS 724 HA CYS 724 -3.112 -15.779 2.511 948 HB2 CYS 724 2HB CYS 724 -0.696 -15.121 2.069 949 HB3 CYS 724 1HB CYS 724 -0.316 -15.850 3.613 950 HA PRO 725 HA PRO 725 -4.142 -17.544 6.495 951 HB2 PRO 725 2HB PRO 725 -5.551 -19.676 5.589 952 HB3 PRO 725 1HB PRO 725 -6.198 -18.036 5.554 953 HG2 PRO 725 2HG PRO 725 -5.073 -19.673 3.344 954 HG3 PRO 725 1HG PRO 725 -6.388 -18.490 3.306 955 HD2 PRO 725 2HD PRO 725 -3.773 -18.032 2.473 956 HD3 PRO 725 1HD PRO 725 -4.960 -16.781 2.880 Start of MODEL 10 1 H1 GLU 578 1HT GLU 578 -22.352 -2.715 4.117 2 H2 GLU 578 2HT GLU 578 -21.846 -1.093 4.033 3 H3 GLU 578 3HT GLU 578 -21.302 -2.247 2.907 4 HA GLU 578 HA GLU 578 -24.113 -1.489 3.203 5 HB2 GLU 578 2HB GLU 578 -22.125 -0.765 1.033 6 HB3 GLU 578 1HB GLU 578 -23.841 -0.420 0.995 7 HG2 GLU 578 2HG GLU 578 -23.543 1.007 2.997 8 HG3 GLU 578 1HG GLU 578 -21.806 0.728 2.880 9 H ALA 579 H ALA 579 -25.467 -2.679 1.934 10 HA ALA 579 HA ALA 579 -24.385 -5.199 1.118 11 HB1 ALA 579 1HB ALA 579 -26.718 -5.849 0.699 12 HB2 ALA 579 2HB ALA 579 -27.224 -4.189 1.003 13 HB3 ALA 579 3HB ALA 579 -26.518 -5.138 2.305 14 H GLU 580 H GLU 580 -23.054 -4.499 -0.482 15 HA GLU 580 HA GLU 580 -24.328 -4.245 -3.103 16 HB2 GLU 580 2HB GLU 580 -23.459 -1.994 -2.127 17 HB3 GLU 580 1HB GLU 580 -21.862 -2.686 -2.271 18 HG2 GLU 580 2HG GLU 580 -23.775 -2.101 -4.540 19 HG3 GLU 580 1HG GLU 580 -22.346 -1.182 -4.117 20 H ALA 581 H ALA 581 -23.509 -5.879 -4.265 21 HA ALA 581 HA ALA 581 -22.152 -7.462 -5.129 22 HB1 ALA 581 1HB ALA 581 -19.720 -7.277 -4.925 23 HB2 ALA 581 2HB ALA 581 -19.915 -6.091 -3.632 24 HB3 ALA 581 3HB ALA 581 -20.458 -5.712 -5.266 25 H GLU 582 H GLU 582 -23.330 -7.519 -2.349 26 HA GLU 582 HA GLU 582 -21.672 -9.377 -1.000 27 HB2 GLU 582 2HB GLU 582 -23.766 -9.702 0.492 28 HB3 GLU 582 1HB GLU 582 -22.937 -8.157 0.515 29 HG2 GLU 582 2HG GLU 582 -25.363 -7.895 0.528 30 HG3 GLU 582 1HG GLU 582 -24.644 -7.195 -0.914 31 H PHE 583 H PHE 583 -23.860 -9.730 -3.504 32 HA PHE 583 HA PHE 583 -24.034 -12.639 -3.144 33 HB2 PHE 583 2HB PHE 583 -25.530 -12.619 -5.071 34 HB3 PHE 583 1HB PHE 583 -26.042 -11.365 -3.951 35 HD1 PHE 583 2HD PHE 583 -25.647 -8.979 -4.516 36 HD2 PHE 583 1HD PHE 583 -24.767 -12.096 -7.269 37 HE1 PHE 583 2HE PHE 583 -25.561 -7.336 -6.347 38 HE2 PHE 583 1HE PHE 583 -24.671 -10.456 -9.099 39 HZ PHE 583 HZ PHE 583 -25.072 -8.078 -8.640 40 H LEU 584 H LEU 584 -21.859 -10.510 -4.134 41 HA LEU 584 HA LEU 584 -20.958 -11.938 -6.530 42 HB2 LEU 584 2HB LEU 584 -21.624 -9.538 -6.757 43 HB3 LEU 584 1HB LEU 584 -20.415 -9.118 -5.578 44 HG LEU 584 HG LEU 584 -18.658 -9.858 -7.190 45 HD13 LEU 584 1HD LEU 584 -19.284 -10.221 -9.515 46 HD21 LEU 584 2HD LEU 584 -20.583 -7.769 -8.196 47 H SER 585 H SER 585 -18.366 -11.452 -6.650 48 HA SER 585 HA SER 585 -17.236 -12.845 -4.452 49 HB2 SER 585 2HB SER 585 -15.195 -12.630 -5.941 50 HB3 SER 585 1HB SER 585 -16.587 -13.489 -6.610 51 HG SER 585 HG SER 585 -15.377 -11.235 -7.507 52 H ARG 586 H ARG 586 -18.097 -9.864 -4.113 53 HA ARG 586 HA ARG 586 -15.488 -8.977 -3.096 54 HB2 ARG 586 2HB ARG 586 -16.212 -7.444 -4.907 55 HB3 ARG 586 1HB ARG 586 -17.697 -7.113 -4.015 56 HG2 ARG 586 2HG ARG 586 -16.366 -6.253 -2.128 57 HG3 ARG 586 1HG ARG 586 -14.900 -6.539 -3.048 58 HD2 ARG 586 2HD ARG 586 -15.426 -4.213 -3.160 59 HD3 ARG 586 1HD ARG 586 -15.724 -4.923 -4.733 60 HE ARG 586 HE ARG 586 -18.038 -4.688 -4.388 61 HH12 ARG 586 1HH ARG 586 -17.272 -2.221 -1.216 62 HH21 ARG 586 2HH ARG 586 -19.360 -2.033 -2.435 63 H THR 587 H THR 587 -15.352 -8.794 -1.043 64 HA THR 587 HA THR 587 -17.778 -8.329 0.558 65 HB THR 587 HB THR 587 -15.176 -9.683 1.260 66 HG1 THR 587 1HG THR 587 -16.068 -11.439 0.831 67 HG21 THR 587 2HG THR 587 -16.242 -10.253 3.385 68 H GLU 588 H GLU 588 -17.768 -6.336 1.561 69 HA GLU 588 HA GLU 588 -15.137 -5.094 1.826 70 HB2 GLU 588 2HB GLU 588 -16.943 -3.829 0.532 71 HB3 GLU 588 1HB GLU 588 -17.831 -3.708 2.044 72 HG2 GLU 588 2HG GLU 588 -16.088 -2.383 3.033 73 HG3 GLU 588 1HG GLU 588 -15.046 -2.637 1.637 74 H GLY 589 H GLY 589 -14.284 -5.037 3.768 75 HA2 GLY 589 2HA GLY 589 -15.876 -6.242 5.869 76 HA3 GLY 589 1HA GLY 589 -14.131 -6.098 5.828 77 H ASP 590 H ASP 590 -13.478 -4.964 7.474 78 HA ASP 590 HA ASP 590 -15.028 -2.621 8.263 79 HB2 ASP 590 2HB ASP 590 -13.887 -4.795 10.012 80 HB3 ASP 590 1HB ASP 590 -14.376 -3.232 10.637 81 H ASN 591 H ASN 591 -13.411 -1.808 10.309 82 HA ASN 591 HA ASN 591 -11.366 -0.483 8.854 83 HB2 ASN 591 2HB ASN 591 -11.947 -0.514 11.828 84 HB3 ASN 591 1HB ASN 591 -10.796 0.549 11.042 85 HD21 ASN 591 2HD ASN 591 -14.179 2.132 11.627 86 H CYS 592 H CYS 592 -9.602 -1.505 8.255 87 HA CYS 592 HA CYS 592 -7.554 -2.395 8.351 88 HB2 CYS 592 2HB CYS 592 -7.907 -2.294 11.345 89 HB3 CYS 592 1HB CYS 592 -6.381 -2.672 10.536 90 H THR 593 H THR 593 -10.237 -4.074 9.294 91 HA THR 593 HA THR 593 -8.783 -6.593 9.060 92 HB THR 593 HB THR 593 -10.509 -7.533 10.678 93 HG1 THR 593 1HG THR 593 -10.784 -4.788 11.306 94 HG21 THR 593 2HG THR 593 -8.189 -7.107 11.377 95 H VAL 594 H VAL 594 -9.859 -8.119 7.847 96 HA VAL 594 HA VAL 594 -12.495 -7.366 6.862 97 HB VAL 594 HB VAL 594 -10.831 -6.795 5.133 98 HG13 VAL 594 1HG VAL 594 -10.143 -9.711 5.102 99 HG21 VAL 594 2HG VAL 594 -13.086 -7.421 4.458 100 H PHE 595 H PHE 595 -13.965 -8.959 6.929 101 HA PHE 595 HA PHE 595 -12.896 -11.664 7.051 102 HB2 PHE 595 2HB PHE 595 -13.906 -11.179 9.223 103 HB3 PHE 595 1HB PHE 595 -15.383 -10.620 8.443 104 HD1 PHE 595 2HD PHE 595 -13.247 -13.645 8.038 105 HD2 PHE 595 1HD PHE 595 -17.128 -12.091 8.813 106 HE1 PHE 595 2HE PHE 595 -14.119 -15.906 8.054 107 HE2 PHE 595 1HE PHE 595 -18.027 -14.388 8.837 108 HZ PHE 595 HZ PHE 595 -16.505 -16.302 8.465 109 H ASP 596 H ASP 596 -13.404 -12.920 5.476 110 HA ASP 596 HA ASP 596 -15.515 -12.035 3.617 111 HB2 ASP 596 2HB ASP 596 -13.152 -12.243 2.772 112 HB3 ASP 596 1HB ASP 596 -13.263 -13.950 3.132 113 H SER 597 H SER 597 -17.282 -13.133 3.541 114 HA SER 597 HA SER 597 -17.620 -15.447 5.092 115 HB2 SER 597 2HB SER 597 -19.938 -15.392 4.006 116 HB3 SER 597 1HB SER 597 -19.462 -14.034 5.023 117 HG SER 597 HG SER 597 -19.224 -14.070 2.168 118 H GLN 598 H GLN 598 -16.710 -15.069 1.755 119 HA GLN 598 HA GLN 598 -17.637 -17.721 1.037 120 HB2 GLN 598 2HB GLN 598 -15.639 -16.009 -0.470 121 HB3 GLN 598 1HB GLN 598 -16.462 -17.422 -1.078 122 HG2 GLN 598 2HG GLN 598 -17.422 -15.518 -2.116 123 HG3 GLN 598 1HG GLN 598 -18.598 -16.104 -0.942 124 HE21 GLN 598 2HE GLN 598 -16.731 -12.528 -0.464 125 H ALA 599 H ALA 599 -14.687 -16.048 1.810 126 HA ALA 599 HA ALA 599 -12.947 -18.290 1.454 127 HB1 ALA 599 1HB ALA 599 -11.231 -16.741 2.153 128 HB2 ALA 599 2HB ALA 599 -12.452 -15.766 2.930 129 HB3 ALA 599 3HB ALA 599 -12.423 -15.829 1.177 130 H GLY 600 H GLY 600 -14.744 -16.933 4.075 131 HA2 GLY 600 2HA GLY 600 -15.134 -17.718 6.208 132 HA3 GLY 600 1HA GLY 600 -14.328 -19.205 5.741 133 H PHE 601 H PHE 601 -12.533 -16.315 5.339 134 HA PHE 601 HA PHE 601 -11.139 -16.805 7.874 135 HB2 PHE 601 2HB PHE 601 -9.858 -16.151 5.221 136 HB3 PHE 601 1HB PHE 601 -9.014 -16.122 6.756 137 HD1 PHE 601 2HD PHE 601 -9.147 -18.400 8.096 138 HD2 PHE 601 1HD PHE 601 -9.725 -17.993 3.907 139 HE1 PHE 601 2HE PHE 601 -8.566 -20.773 7.783 140 HE2 PHE 601 1HE PHE 601 -9.146 -20.359 3.593 141 HZ PHE 601 HZ PHE 601 -8.567 -21.747 5.526 142 H SER 602 H SER 602 -10.479 -15.061 8.980 143 HA SER 602 HA SER 602 -11.231 -12.463 7.917 144 HB2 SER 602 2HB SER 602 -11.330 -11.827 10.356 145 HB3 SER 602 1HB SER 602 -12.491 -13.077 9.895 146 HG SER 602 HG SER 602 -11.221 -13.406 11.866 147 H PHE 603 H PHE 603 -9.651 -10.989 7.692 148 HA PHE 603 HA PHE 603 -6.987 -11.752 8.659 149 HB2 PHE 603 2HB PHE 603 -7.694 -10.527 5.992 150 HB3 PHE 603 1HB PHE 603 -6.054 -10.644 6.610 151 HD1 PHE 603 1HD PHE 603 -4.992 -12.850 6.866 152 HD2 PHE 603 2HD PHE 603 -8.826 -12.449 5.029 153 HE1 PHE 603 1HE PHE 603 -4.768 -15.091 5.889 154 HE2 PHE 603 2HE PHE 603 -8.585 -14.683 4.063 155 HZ PHE 603 HZ PHE 603 -6.563 -16.008 4.486 156 H ASP 604 H ASP 604 -5.887 -10.292 9.737 157 HA ASP 604 HA ASP 604 -6.853 -7.487 9.813 158 HB2 ASP 604 2HB ASP 604 -5.888 -7.273 12.000 159 HB3 ASP 604 1HB ASP 604 -6.850 -8.736 12.033 160 H LEU 605 H LEU 605 -5.797 -6.154 8.713 161 HA LEU 605 HA LEU 605 -3.009 -6.728 8.178 162 HB2 LEU 605 2HB LEU 605 -5.024 -5.021 6.712 163 HB3 LEU 605 1HB LEU 605 -3.309 -4.853 6.430 164 HG LEU 605 HG LEU 605 -4.366 -6.162 4.710 165 HD13 LEU 605 1HD LEU 605 -2.525 -7.830 6.425 166 HD21 LEU 605 2HD LEU 605 -5.019 -8.181 6.843 167 H THR 606 H THR 606 -4.430 -5.600 10.467 168 HA THR 606 HA THR 606 -4.090 -2.980 10.984 169 HB THR 606 HB THR 606 -3.792 -5.177 13.016 170 HG1 THR 606 1HG THR 606 -6.106 -5.358 12.805 171 HG21 THR 606 2HG THR 606 -5.292 -3.741 14.237 172 HA PRO 607 HA PRO 607 0.371 -4.204 12.937 173 HB2 PRO 607 2HB PRO 607 1.140 -6.451 11.159 174 HB3 PRO 607 1HB PRO 607 1.394 -6.263 12.898 175 HG2 PRO 607 2HG PRO 607 -0.413 -7.969 11.990 176 HG3 PRO 607 1HG PRO 607 -0.749 -6.967 13.415 177 HD2 PRO 607 2HD PRO 607 -1.654 -6.587 10.583 178 HD3 PRO 607 1HD PRO 607 -2.599 -6.453 12.077 179 H LEU 608 H LEU 608 -0.604 -4.315 9.695 180 HA LEU 608 HA LEU 608 1.906 -3.640 8.494 181 HB2 LEU 608 2HB LEU 608 -0.901 -3.828 7.501 182 HB3 LEU 608 1HB LEU 608 0.421 -3.286 6.453 183 HG LEU 608 HG LEU 608 -0.074 -5.573 5.970 184 HD13 LEU 608 1HD LEU 608 2.004 -6.678 6.448 185 HD21 LEU 608 2HD LEU 608 -0.027 -7.353 7.627 186 H THR 609 H THR 609 -0.478 -1.890 10.113 187 HA THR 609 HA THR 609 -0.250 0.565 8.642 188 HB THR 609 HB THR 609 -1.193 0.142 11.489 189 HG1 THR 609 1HG THR 609 -2.731 -0.012 9.085 190 HG21 THR 609 2HG THR 609 -1.956 2.120 9.354 191 H LYS 610 H LYS 610 1.162 2.084 8.843 192 HA LYS 610 HA LYS 610 2.968 2.190 11.171 193 HB2 LYS 610 2HB LYS 610 3.627 2.491 8.259 194 HB3 LYS 610 1HB LYS 610 4.664 2.993 9.568 195 HG2 LYS 610 2HG LYS 610 4.933 0.665 10.246 196 HG3 LYS 610 1HG LYS 610 3.808 0.163 8.980 197 HD2 LYS 610 2HD LYS 610 6.154 -0.116 8.256 198 HD3 LYS 610 1HD LYS 610 5.277 1.038 7.262 199 HE2 LYS 610 2HE LYS 610 6.257 2.883 8.535 200 HE3 LYS 610 1HE LYS 610 7.209 1.733 9.487 201 HZ1 LYS 610 3HZ LYS 610 8.339 1.107 7.396 202 HZ2 LYS 610 1HZ LYS 610 8.462 2.764 7.706 203 HZ3 LYS 610 2HZ LYS 610 7.376 2.251 6.570 204 H LYS 611 H LYS 611 3.286 4.341 11.867 205 HA LYS 611 HA LYS 611 1.792 6.421 10.611 206 HB2 LYS 611 2HB LYS 611 4.056 6.648 12.614 207 HB3 LYS 611 1HB LYS 611 3.061 7.984 12.061 208 HG2 LYS 611 2HG LYS 611 1.078 6.839 13.020 209 HG3 LYS 611 1HG LYS 611 2.155 5.597 13.661 210 HD2 LYS 611 2HD LYS 611 1.650 7.235 15.391 211 HD3 LYS 611 1HD LYS 611 3.355 7.330 14.946 212 HE2 LYS 611 2HE LYS 611 2.864 9.276 13.508 213 HE3 LYS 611 1HE LYS 611 1.165 9.160 13.952 214 HZ1 LYS 611 3HZ LYS 611 2.305 10.850 15.184 215 HZ2 LYS 611 1HZ LYS 611 3.408 9.743 15.809 216 HZ3 LYS 611 2HZ LYS 611 1.771 9.666 16.234 217 H ASP 612 H ASP 612 5.086 5.297 10.519 218 HA ASP 612 HA ASP 612 6.179 7.352 8.880 219 HB2 ASP 612 2HB ASP 612 7.643 5.936 10.173 220 HB3 ASP 612 1HB ASP 612 7.043 4.492 9.383 221 H ALA 613 H ALA 613 4.311 4.577 8.340 222 HA ALA 613 HA ALA 613 3.243 3.684 6.579 223 HB1 ALA 613 1HB ALA 613 2.510 5.933 6.226 224 HB2 ALA 613 2HB ALA 613 2.792 5.172 4.651 225 HB3 ALA 613 3HB ALA 613 3.969 6.306 5.335 226 H TYR 614 H TYR 614 3.622 3.581 3.923 227 HA TYR 614 HA TYR 614 6.344 2.528 3.605 228 HB2 TYR 614 2HB TYR 614 3.708 1.670 2.412 229 HB3 TYR 614 1HB TYR 614 5.270 1.055 1.877 230 HD1 TYR 614 2HD TYR 614 3.131 1.336 5.003 231 HD2 TYR 614 1HD TYR 614 6.181 -0.819 2.891 232 HE1 TYR 614 2HE TYR 614 3.074 -0.302 6.656 233 HE2 TYR 614 1HE TYR 614 6.133 -2.546 4.599 234 HH TYR 614 HH TYR 614 3.651 -2.706 6.939 235 H LYS 615 H LYS 615 7.459 3.078 1.705 236 HA LYS 615 HA LYS 615 6.055 4.964 -0.039 237 HB2 LYS 615 2HB LYS 615 7.694 6.188 1.259 238 HB3 LYS 615 1HB LYS 615 8.995 5.140 0.801 239 HG2 LYS 615 2HG LYS 615 8.372 5.778 -1.604 240 HG3 LYS 615 1HG LYS 615 7.429 7.069 -0.868 241 HD2 LYS 615 2HD LYS 615 10.384 6.557 -0.550 242 HD3 LYS 615 1HD LYS 615 9.685 7.865 -1.515 243 HE2 LYS 615 2HE LYS 615 8.659 8.637 0.677 244 HE3 LYS 615 1HE LYS 615 9.742 7.491 1.465 245 HZ1 LYS 615 3HZ LYS 615 10.697 9.698 1.402 246 HZ2 LYS 615 1HZ LYS 615 10.482 9.756 -0.254 247 HZ3 LYS 615 2HZ LYS 615 11.621 8.689 0.387 248 H VAL 616 H VAL 616 6.047 4.489 -2.081 249 HA VAL 616 HA VAL 616 7.939 2.502 -3.146 250 HB VAL 616 HB VAL 616 5.409 3.530 -4.421 251 HG13 VAL 616 1HG VAL 616 6.995 2.640 -6.000 252 HG21 VAL 616 2HG VAL 616 4.774 2.356 -2.386 253 H GLU 617 H GLU 617 9.280 3.262 -4.739 254 HA GLU 617 HA GLU 617 9.008 6.130 -5.343 255 HB2 GLU 617 2HB GLU 617 11.534 4.502 -5.172 256 HB3 GLU 617 1HB GLU 617 11.430 6.205 -5.578 257 HG2 GLU 617 2HG GLU 617 10.536 6.687 -3.363 258 HG3 GLU 617 1HG GLU 617 10.638 4.976 -2.952 259 H THR 618 H THR 618 9.381 6.840 -7.426 260 HA THR 618 HA THR 618 9.915 4.803 -9.426 261 HB THR 618 HB THR 618 8.367 6.036 -10.944 262 HG1 THR 618 1HG THR 618 7.759 7.543 -8.623 263 HG21 THR 618 2HG THR 618 7.406 4.173 -9.553 264 H ASP 619 H ASP 619 10.156 6.704 -11.507 265 HA ASP 619 HA ASP 619 12.725 7.678 -10.985 266 HB2 ASP 619 2HB ASP 619 10.818 8.340 -13.221 267 HB3 ASP 619 1HB ASP 619 12.447 8.990 -13.130 268 H LYS 620 H LYS 620 9.668 9.509 -11.254 269 HA LYS 620 HA LYS 620 11.137 11.612 -9.828 270 HB2 LYS 620 2HB LYS 620 8.915 12.161 -11.795 271 HB3 LYS 620 1HB LYS 620 9.797 13.355 -10.896 272 HG2 LYS 620 2HG LYS 620 10.709 13.470 -13.039 273 HG3 LYS 620 1HG LYS 620 11.875 12.510 -12.134 274 HD2 LYS 620 2HD LYS 620 11.516 11.501 -14.313 275 HD3 LYS 620 1HD LYS 620 10.843 10.462 -13.051 276 HE2 LYS 620 2HE LYS 620 8.601 11.335 -13.516 277 HE3 LYS 620 1HE LYS 620 9.272 12.398 -14.748 278 HZ1 LYS 620 3HZ LYS 620 9.275 9.427 -14.813 279 HZ2 LYS 620 1HZ LYS 620 9.939 10.443 -15.992 280 HZ3 LYS 620 2HZ LYS 620 8.293 10.454 -15.717 281 H TYR 621 H TYR 621 8.750 9.468 -9.324 282 HA TYR 621 HA TYR 621 7.491 11.344 -7.464 283 HB2 TYR 621 2HB TYR 621 6.061 9.308 -9.196 284 HB3 TYR 621 1HB TYR 621 5.313 10.180 -7.868 285 HD1 TYR 621 1HD TYR 621 7.097 10.748 -11.086 286 HD2 TYR 621 2HD TYR 621 4.272 12.230 -8.297 287 HE1 TYR 621 1HE TYR 621 6.575 12.566 -12.623 288 HE2 TYR 621 2HE TYR 621 3.712 14.070 -9.844 289 HH TYR 621 HH TYR 621 4.771 15.293 -11.747 290 H GLU 622 H GLU 622 6.593 10.378 -5.626 291 HA GLU 622 HA GLU 622 7.377 7.615 -5.173 292 HB2 GLU 622 2HB GLU 622 7.855 8.072 -2.853 293 HB3 GLU 622 1HB GLU 622 8.842 9.155 -3.819 294 HG2 GLU 622 2HG GLU 622 7.357 11.003 -3.328 295 HG3 GLU 622 1HG GLU 622 6.240 9.923 -2.529 296 H PHE 623 H PHE 623 5.882 6.511 -4.032 297 HA PHE 623 HA PHE 623 3.394 7.962 -3.598 298 HB2 PHE 623 2HB PHE 623 3.801 5.013 -4.197 299 HB3 PHE 623 1HB PHE 623 2.253 5.769 -3.868 300 HD1 PHE 623 1HD PHE 623 5.027 5.562 -6.318 301 HD2 PHE 623 2HD PHE 623 1.044 6.893 -5.602 302 HE1 PHE 623 1HE PHE 623 4.735 6.011 -8.707 303 HE2 PHE 623 2HE PHE 623 0.765 7.340 -7.985 304 HZ PHE 623 HZ PHE 623 2.605 6.898 -9.545 305 H HIS 624 H HIS 624 2.977 8.141 -1.484 306 HA HIS 624 HA HIS 624 4.264 6.221 0.313 307 HB2 HIS 624 2HB HIS 624 4.387 9.034 0.318 308 HB3 HIS 624 1HB HIS 624 3.189 8.637 1.532 309 HD1 HIS 624 1HD HIS 624 6.743 8.939 1.067 310 HD2 HIS 624 2HD HIS 624 4.204 6.721 3.486 311 HE1 HIS 624 1HE HIS 624 8.195 8.010 2.924 312 HE2 HIS 624 2HE HIS 624 6.612 6.872 4.491 313 H ILE 625 H ILE 625 2.887 4.898 1.337 314 HA ILE 625 HA ILE 625 0.086 5.689 1.586 315 HB ILE 625 HB ILE 625 -0.709 3.538 0.760 316 HG12 ILE 625 1HG ILE 625 2.205 2.947 0.311 317 HG23 ILE 625 2HG ILE 625 -0.231 3.760 -1.648 318 HD11 ILE 625 1HD ILE 625 1.518 0.771 -0.614 319 H ASN 626 H ASN 626 -0.988 4.491 3.127 320 HA ASN 626 HA ASN 626 0.672 2.835 4.937 321 HB2 ASN 626 2HB ASN 626 0.305 5.097 5.918 322 HB3 ASN 626 1HB ASN 626 -1.431 4.876 5.748 323 HD21 ASN 626 2HD ASN 626 -1.298 3.893 9.087 324 H VAL 627 H VAL 627 -0.550 1.199 6.043 325 HA VAL 627 HA VAL 627 -2.839 0.323 4.484 326 HB VAL 627 HB VAL 627 -1.369 -1.068 6.740 327 HG13 VAL 627 1HG VAL 627 -2.648 -3.038 6.075 328 HG21 VAL 627 2HG VAL 627 -1.362 -1.478 3.764 329 H CYS 628 H CYS 628 -4.605 1.088 4.929 330 HA CYS 628 HA CYS 628 -6.432 1.810 5.782 331 HB2 CYS 628 2HB CYS 628 -7.365 0.865 7.878 332 HB3 CYS 628 1HB CYS 628 -6.691 -0.388 6.856 333 H GLY 629 H GLY 629 -7.333 3.428 6.824 334 HA2 GLY 629 2HA GLY 629 -7.488 5.316 8.262 335 HA3 GLY 629 1HA GLY 629 -5.981 4.842 9.007 336 HA PRO 630 HA PRO 630 -4.776 8.193 6.307 337 HB2 PRO 630 2HB PRO 630 -3.774 9.633 8.500 338 HB3 PRO 630 1HB PRO 630 -5.308 9.874 7.644 339 HG2 PRO 630 2HG PRO 630 -5.060 8.918 10.344 340 HG3 PRO 630 1HG PRO 630 -6.522 8.852 9.327 341 HD2 PRO 630 2HD PRO 630 -4.399 6.842 9.855 342 HD3 PRO 630 1HD PRO 630 -6.170 6.654 9.753 343 H VAL 631 H VAL 631 -2.691 9.054 5.894 344 HA VAL 631 HA VAL 631 -0.491 7.370 6.812 345 HB VAL 631 HB VAL 631 -0.992 7.432 4.351 346 HG13 VAL 631 1HG VAL 631 -0.152 10.308 4.407 347 HG21 VAL 631 2HG VAL 631 1.655 8.359 5.325 348 H SER 632 H SER 632 1.139 8.333 7.993 349 HA SER 632 HA SER 632 0.743 11.155 8.474 350 HB2 SER 632 2HB SER 632 0.707 9.728 10.463 351 HB3 SER 632 1HB SER 632 2.311 9.117 10.078 352 HG SER 632 HG SER 632 1.560 11.745 10.784 353 H VAL 633 H VAL 633 1.673 11.653 6.419 354 HA VAL 633 HA VAL 633 4.616 11.667 6.618 355 HB VAL 633 HB VAL 633 3.083 11.927 3.999 356 HG13 VAL 633 1HG VAL 633 5.313 12.915 3.980 357 HG21 VAL 633 2HG VAL 633 3.733 9.643 3.532 358 H GLY 634 H GLY 634 5.615 13.591 6.541 359 HA2 GLY 634 2HA GLY 634 4.074 15.920 7.062 360 HA3 GLY 634 1HA GLY 634 5.820 15.833 6.904 361 H ALA 635 H ALA 635 4.339 14.539 4.208 362 HA ALA 635 HA ALA 635 4.403 17.104 2.781 363 HB1 ALA 635 1HB ALA 635 6.440 15.838 2.261 364 HB2 ALA 635 2HB ALA 635 5.383 15.929 0.852 365 HB3 ALA 635 3HB ALA 635 5.463 14.443 1.799 366 H CYS 636 H CYS 636 2.392 15.052 4.001 367 HA CYS 636 HA CYS 636 0.669 14.886 1.644 368 HB2 CYS 636 2HB CYS 636 1.058 12.767 3.755 369 HB3 CYS 636 1HB CYS 636 -0.042 12.679 2.386 370 HA PRO 637 HA PRO 637 -2.322 16.656 4.465 371 HB2 PRO 637 2HB PRO 637 -4.356 14.859 3.334 372 HB3 PRO 637 1HB PRO 637 -4.322 16.616 3.344 373 HG2 PRO 637 2HG PRO 637 -3.888 15.205 1.085 374 HG3 PRO 637 1HG PRO 637 -3.094 16.754 1.396 375 HD2 PRO 637 2HD PRO 637 -2.003 13.991 1.572 376 HD3 PRO 637 1HD PRO 637 -1.205 15.500 1.079 377 HA PRO 638 HA PRO 638 -2.368 13.455 7.659 378 HB2 PRO 638 2HB PRO 638 -4.271 15.245 9.041 379 HB3 PRO 638 1HB PRO 638 -2.698 14.657 9.596 380 HG2 PRO 638 2HG PRO 638 -2.984 17.189 8.853 381 HG3 PRO 638 1HG PRO 638 -1.532 16.280 8.392 382 HD2 PRO 638 2HD PRO 638 -3.975 16.887 6.774 383 HD3 PRO 638 1HD PRO 638 -2.262 17.058 6.315 384 H ASP 639 H ASP 639 -5.150 14.669 6.070 385 HA ASP 639 HA ASP 639 -6.841 12.522 7.112 386 HB2 ASP 639 2HB ASP 639 -8.691 13.518 5.837 387 HB3 ASP 639 1HB ASP 639 -7.942 14.701 6.904 388 H SER 640 H SER 640 -4.494 12.583 4.979 389 HA SER 640 HA SER 640 -5.884 11.103 2.897 390 HB2 SER 640 2HB SER 640 -4.300 12.910 2.252 391 HB3 SER 640 1HB SER 640 -3.010 12.032 3.066 392 HG SER 640 HG SER 640 -4.252 11.604 0.673 393 H GLY 641 H GLY 641 -5.305 8.983 2.453 394 HA2 GLY 641 2HA GLY 641 -3.705 7.629 4.540 395 HA3 GLY 641 1HA GLY 641 -5.003 6.854 3.641 396 H ALA 642 H ALA 642 -3.734 8.533 1.309 397 HA ALA 642 HA ALA 642 -1.316 7.087 0.743 398 HB1 ALA 642 1HB ALA 642 -2.932 5.444 -0.006 399 HB2 ALA 642 2HB ALA 642 -2.205 6.211 -1.400 400 HB3 ALA 642 3HB ALA 642 -3.830 6.688 -0.910 401 H CYS 643 H CYS 643 -0.023 8.420 -0.279 402 HA CYS 643 HA CYS 643 -1.163 10.690 -1.713 403 HB2 CYS 643 2HB CYS 643 0.370 12.172 -0.481 404 HB3 CYS 643 1HB CYS 643 -0.857 11.435 0.548 405 H GLN 644 H GLN 644 0.032 11.247 -3.477 406 HA GLN 644 HA GLN 644 2.667 9.983 -3.674 407 HB2 GLN 644 2HB GLN 644 2.638 10.761 -5.921 408 HB3 GLN 644 1HB GLN 644 1.561 9.348 -5.708 409 HG2 GLN 644 2HG GLN 644 -0.305 11.032 -5.765 410 HG3 GLN 644 1HG GLN 644 0.902 12.288 -6.001 411 HE21 GLN 644 2HE GLN 644 1.376 11.688 -9.388 412 H VAL 645 H VAL 645 4.379 11.173 -4.198 413 HA VAL 645 HA VAL 645 4.026 14.079 -4.138 414 HB VAL 645 HB VAL 645 5.968 12.382 -2.805 415 HG13 VAL 645 1HG VAL 645 7.072 14.533 -3.441 416 HG21 VAL 645 2HG VAL 645 3.978 12.285 -1.532 417 H SER 646 H SER 646 5.205 15.045 -5.643 418 HA SER 646 HA SER 646 6.848 13.445 -7.410 419 HB2 SER 646 2HB SER 646 5.384 15.116 -8.444 420 HB3 SER 646 1HB SER 646 6.124 16.393 -7.467 421 HG SER 646 HG SER 646 6.892 16.163 -9.706 422 H ARG 647 H ARG 647 8.855 13.137 -6.884 423 HA ARG 647 HA ARG 647 10.176 14.752 -4.923 424 HB2 ARG 647 2HB ARG 647 12.139 13.331 -5.306 425 HB3 ARG 647 1HB ARG 647 10.689 12.357 -5.164 426 HG2 ARG 647 2HG ARG 647 10.615 12.305 -7.675 427 HG3 ARG 647 1HG ARG 647 12.234 12.997 -7.654 428 HD2 ARG 647 2HD ARG 647 11.368 10.405 -6.391 429 HD3 ARG 647 1HD ARG 647 12.311 10.588 -7.862 430 HE ARG 647 HE ARG 647 13.934 11.773 -6.278 431 HH12 ARG 647 1HH ARG 647 13.020 8.296 -4.336 432 HH21 ARG 647 2HH ARG 647 15.154 9.325 -4.032 433 H SER 648 H SER 648 9.744 14.877 -8.283 434 HA SER 648 HA SER 648 11.986 16.555 -8.913 435 HB2 SER 648 2HB SER 648 10.893 14.949 -10.573 436 HB3 SER 648 1HB SER 648 9.486 15.974 -10.501 437 HG SER 648 HG SER 648 10.340 17.181 -11.898 438 H ASP 649 H ASP 649 8.460 17.008 -8.548 439 HA ASP 649 HA ASP 649 8.725 19.919 -8.904 440 HB2 ASP 649 2HB ASP 649 6.220 18.271 -8.456 441 HB3 ASP 649 1HB ASP 649 6.266 19.979 -8.839 442 H ARG 650 H ARG 650 8.505 17.678 -6.457 443 HA ARG 650 HA ARG 650 8.137 17.634 -4.259 444 HB2 ARG 650 2HB ARG 650 8.931 20.535 -4.382 445 HB3 ARG 650 1HB ARG 650 8.635 19.684 -2.877 446 HG2 ARG 650 2HG ARG 650 10.780 19.125 -4.905 447 HG3 ARG 650 1HG ARG 650 10.989 19.730 -3.253 448 HD2 ARG 650 2HD ARG 650 10.113 16.977 -4.146 449 HD3 ARG 650 1HD ARG 650 11.577 17.419 -3.285 450 HE ARG 650 HE ARG 650 9.388 18.166 -1.707 451 HH12 ARG 650 1HH ARG 650 10.401 14.258 -1.530 452 HH21 ARG 650 2HH ARG 650 8.960 15.152 0.053 453 H LYS 651 H LYS 651 6.006 18.309 -6.051 454 HA LYS 651 HA LYS 651 4.111 19.375 -4.102 455 HB2 LYS 651 2HB LYS 651 3.769 18.580 -6.957 456 HB3 LYS 651 1HB LYS 651 2.492 19.230 -5.945 457 HG2 LYS 651 2HG LYS 651 4.044 21.240 -5.637 458 HG3 LYS 651 1HG LYS 651 4.999 20.539 -6.905 459 HD2 LYS 651 2HD LYS 651 3.492 22.150 -7.946 460 HD3 LYS 651 1HD LYS 651 3.123 20.476 -8.415 461 HE2 LYS 651 2HE LYS 651 1.245 20.410 -6.910 462 HE3 LYS 651 1HE LYS 651 1.632 22.020 -6.294 463 HZ1 LYS 651 3HZ LYS 651 1.120 22.920 -8.467 464 HZ2 LYS 651 1HZ LYS 651 -0.181 22.046 -7.896 465 HZ3 LYS 651 2HZ LYS 651 0.805 21.379 -9.081 466 H SER 652 H SER 652 2.172 18.168 -3.758 467 HA SER 652 HA SER 652 2.599 15.306 -4.144 468 HB2 SER 652 2HB SER 652 1.437 16.377 -1.594 469 HB3 SER 652 1HB SER 652 2.033 14.767 -2.071 470 HG SER 652 HG SER 652 3.435 16.051 -0.704 471 H TRP 653 H TRP 653 0.814 14.117 -4.083 472 HA TRP 653 HA TRP 653 -1.721 15.624 -4.444 473 HB2 TRP 653 2HB TRP 653 -0.821 13.376 -6.265 474 HB3 TRP 653 1HB TRP 653 -2.423 14.104 -6.289 475 HD1 TRP 653 HD TRP 653 -2.698 16.404 -7.528 476 HE1 TRP 653 1HE TRP 653 -1.110 17.847 -8.963 477 HE3 TRP 653 3HE TRP 653 1.697 14.068 -6.471 478 HZ2 TRP 653 2HZ TRP 653 1.642 17.957 -9.565 479 HZ3 TRP 653 3HZ TRP 653 3.735 14.857 -7.477 480 HH2 TRP 653 HH TRP 653 3.736 16.791 -9.020 481 H ASN 654 H ASN 654 -3.680 14.440 -4.147 482 HA ASN 654 HA ASN 654 -3.352 12.608 -1.897 483 HB2 ASN 654 2HB ASN 654 -5.000 14.750 -1.942 484 HB3 ASN 654 1HB ASN 654 -5.889 13.701 -2.955 485 HD21 ASN 654 2HD ASN 654 -7.197 11.675 -0.566 486 H LEU 655 H LEU 655 -3.576 10.452 -2.282 487 HA LEU 655 HA LEU 655 -4.935 9.637 -4.743 488 HB2 LEU 655 2HB LEU 655 -3.013 8.156 -2.966 489 HB3 LEU 655 1HB LEU 655 -3.674 7.572 -4.479 490 HG LEU 655 HG LEU 655 -1.803 9.899 -4.134 491 HD13 LEU 655 1HD LEU 655 -0.246 8.523 -5.348 492 HD21 LEU 655 2HD LEU 655 -3.036 8.725 -6.614 493 H GLY 656 H GLY 656 -5.877 10.253 -1.879 494 HA2 GLY 656 2HA GLY 656 -8.238 9.200 -1.748 495 HA3 GLY 656 1HA GLY 656 -7.325 7.758 -1.354 496 H ARG 657 H ARG 657 -9.229 9.659 0.148 497 HA ARG 657 HA ARG 657 -7.566 10.661 2.207 498 HB2 ARG 657 2HB ARG 657 -10.566 10.321 2.183 499 HB3 ARG 657 1HB ARG 657 -9.608 11.247 3.320 500 HG2 ARG 657 2HG ARG 657 -8.885 12.707 1.458 501 HG3 ARG 657 1HG ARG 657 -10.008 11.833 0.406 502 HD2 ARG 657 2HD ARG 657 -11.838 12.427 1.973 503 HD3 ARG 657 1HD ARG 657 -10.695 13.409 2.878 504 HE ARG 657 HE ARG 657 -11.720 13.937 0.193 505 HH12 ARG 657 1HH ARG 657 -9.816 16.672 2.461 506 HH21 ARG 657 2HH ARG 657 -11.047 17.345 0.592 507 H SER 658 H SER 658 -8.232 10.045 4.505 508 HA SER 658 HA SER 658 -7.298 7.511 5.047 509 HB2 SER 658 2HB SER 658 -8.140 8.018 7.351 510 HB3 SER 658 1HB SER 658 -7.106 9.257 6.634 511 HG SER 658 HG SER 658 -9.772 9.538 6.080 512 H ASN 659 H ASN 659 -8.182 5.586 5.008 513 HA ASN 659 HA ASN 659 -10.972 5.142 5.621 514 HB2 ASN 659 2HB ASN 659 -10.899 5.631 3.175 515 HB3 ASN 659 1HB ASN 659 -9.754 4.295 3.009 516 HD21 ASN 659 2HD ASN 659 -12.529 2.435 2.161 517 H ALA 660 H ALA 660 -11.245 3.025 6.341 518 HA ALA 660 HA ALA 660 -8.728 1.528 6.487 519 HB1 ALA 660 1HB ALA 660 -9.306 0.845 8.765 520 HB2 ALA 660 2HB ALA 660 -10.762 1.833 8.692 521 HB3 ALA 660 3HB ALA 660 -9.170 2.595 8.638 522 H LYS 661 H LYS 661 -11.537 1.512 5.074 523 HA LYS 661 HA LYS 661 -12.566 -1.039 5.853 524 HB2 LYS 661 2HB LYS 661 -13.324 0.628 3.434 525 HB3 LYS 661 1HB LYS 661 -14.222 -0.709 4.138 526 HG2 LYS 661 2HG LYS 661 -13.743 1.952 5.408 527 HG3 LYS 661 1HG LYS 661 -15.256 1.340 4.740 528 HD2 LYS 661 2HD LYS 661 -15.072 -0.559 6.426 529 HD3 LYS 661 1HD LYS 661 -13.711 0.387 7.082 530 HE2 LYS 661 2HE LYS 661 -16.455 1.458 6.727 531 HE3 LYS 661 1HE LYS 661 -15.904 0.727 8.241 532 HZ1 LYS 661 3HZ LYS 661 -15.688 3.139 8.320 533 HZ2 LYS 661 1HZ LYS 661 -14.722 3.158 6.944 534 HZ3 LYS 661 2HZ LYS 661 -14.168 2.448 8.357 535 H LEU 662 H LEU 662 -11.481 -2.774 5.365 536 HA LEU 662 HA LEU 662 -9.897 -2.970 2.944 537 HB2 LEU 662 2HB LEU 662 -10.570 -4.944 5.076 538 HB3 LEU 662 1HB LEU 662 -9.454 -5.295 3.758 539 HG LEU 662 HG LEU 662 -9.104 -3.410 6.092 540 HD13 LEU 662 1HD LEU 662 -7.684 -5.913 5.237 541 HD21 LEU 662 2HD LEU 662 -7.260 -3.904 3.754 542 H SER 663 H SER 663 -10.400 -4.348 1.197 543 HA SER 663 HA SER 663 -13.105 -5.455 1.244 544 HB2 SER 663 2HB SER 663 -11.581 -4.279 -1.094 545 HB3 SER 663 1HB SER 663 -13.215 -4.947 -1.146 546 HG SER 663 HG SER 663 -12.734 -3.034 0.761 547 H TYR 664 H TYR 664 -13.302 -7.484 0.462 548 HA TYR 664 HA TYR 664 -10.773 -8.830 -0.131 549 HB2 TYR 664 2HB TYR 664 -12.106 -9.415 2.014 550 HB3 TYR 664 1HB TYR 664 -13.273 -10.132 0.926 551 HD1 TYR 664 2HD TYR 664 -11.903 -11.754 -0.929 552 HD2 TYR 664 1HD TYR 664 -10.783 -10.884 3.070 553 HE1 TYR 664 2HE TYR 664 -10.593 -13.828 -0.865 554 HE2 TYR 664 1HE TYR 664 -9.448 -12.961 3.142 555 HH TYR 664 HH TYR 664 -9.395 -15.134 2.013 556 H TYR 665 H TYR 665 -10.662 -9.570 -2.099 557 HA TYR 665 HA TYR 665 -13.083 -9.997 -3.636 558 HB2 TYR 665 2HB TYR 665 -10.270 -9.303 -4.404 559 HB3 TYR 665 1HB TYR 665 -11.412 -9.970 -5.567 560 HD1 TYR 665 1HD TYR 665 -10.855 -7.137 -3.249 561 HD2 TYR 665 2HD TYR 665 -13.022 -8.674 -6.535 562 HE1 TYR 665 1HE TYR 665 -11.795 -4.936 -3.636 563 HE2 TYR 665 2HE TYR 665 -13.987 -6.529 -6.953 564 HH TYR 665 HH TYR 665 -14.399 -4.410 -5.873 565 H ASP 666 H ASP 666 -13.199 -12.160 -4.515 566 HA ASP 666 HA ASP 666 -12.008 -14.182 -3.014 567 HB2 ASP 666 2HB ASP 666 -13.984 -14.480 -4.550 568 HB3 ASP 666 1HB ASP 666 -12.849 -14.524 -5.894 569 H GLY 667 H GLY 667 -10.032 -14.833 -2.873 570 HA2 GLY 667 2HA GLY 667 -8.110 -15.772 -4.056 571 HA3 GLY 667 1HA GLY 667 -8.220 -14.390 -5.142 572 H MET 668 H MET 668 -8.493 -12.226 -3.484 573 HA MET 668 HA MET 668 -6.482 -12.344 -1.454 574 HB2 MET 668 2HB MET 668 -4.901 -10.798 -2.427 575 HB3 MET 668 1HB MET 668 -5.006 -12.258 -3.399 576 HG2 MET 668 2HG MET 668 -6.280 -9.593 -4.042 577 HG3 MET 668 1HG MET 668 -4.786 -10.204 -4.737 578 HE1 MET 668 3HE MET 668 -7.159 -9.107 -6.520 579 HE2 MET 668 1HE MET 668 -7.218 -10.336 -7.783 580 HE3 MET 668 2HE MET 668 -5.663 -9.769 -7.178 581 H ILE 669 H ILE 669 -6.011 -10.228 -0.504 582 HA ILE 669 HA ILE 669 -8.520 -8.818 -0.196 583 HB ILE 669 HB ILE 669 -5.929 -8.464 1.387 584 HG12 ILE 669 1HG ILE 669 -7.203 -9.600 3.276 585 HG23 ILE 669 2HG ILE 669 -7.320 -6.478 1.461 586 HD11 ILE 669 1HD ILE 669 -6.735 -11.405 0.922 587 H GLN 670 H GLN 670 -8.831 -6.690 -0.708 588 HA GLN 670 HA GLN 670 -6.612 -5.181 -1.824 589 HB2 GLN 670 2HB GLN 670 -9.276 -5.723 -3.138 590 HB3 GLN 670 1HB GLN 670 -8.316 -4.314 -3.560 591 HG2 GLN 670 2HG GLN 670 -6.545 -5.645 -4.390 592 HG3 GLN 670 1HG GLN 670 -7.230 -7.131 -3.722 593 HE21 GLN 670 2HE GLN 670 -9.277 -7.680 -6.474 594 H LEU 671 H LEU 671 -6.695 -3.019 -1.406 595 HA LEU 671 HA LEU 671 -8.858 -2.197 0.442 596 HB2 LEU 671 2HB LEU 671 -6.537 -2.581 1.419 597 HB3 LEU 671 1HB LEU 671 -5.981 -1.233 0.460 598 HG LEU 671 HG LEU 671 -7.966 -1.119 2.745 599 HD13 LEU 671 1HD LEU 671 -5.102 -0.218 2.569 600 HD21 LEU 671 2HD LEU 671 -7.756 1.314 2.617 601 H THR 672 H THR 672 -9.977 -0.469 -0.193 602 HA THR 672 HA THR 672 -8.991 1.135 -2.442 603 HB THR 672 HB THR 672 -11.810 0.719 -1.415 604 HG1 THR 672 1HG THR 672 -10.210 -0.718 -3.061 605 HG21 THR 672 2HG THR 672 -12.472 1.775 -3.549 606 H TYR 673 H TYR 673 -8.621 3.249 -1.992 607 HA TYR 673 HA TYR 673 -9.597 4.267 0.555 608 HB2 TYR 673 2HB TYR 673 -7.413 5.059 -1.217 609 HB3 TYR 673 1HB TYR 673 -8.046 6.299 -0.113 610 HD1 TYR 673 1HD TYR 673 -8.128 5.663 2.324 611 HD2 TYR 673 2HD TYR 673 -5.774 3.515 -0.476 612 HE1 TYR 673 1HE TYR 673 -6.825 4.741 4.157 613 HE2 TYR 673 2HE TYR 673 -4.447 2.571 1.388 614 HH TYR 673 HH TYR 673 -3.930 3.149 3.824 615 H ARG 674 H ARG 674 -9.834 6.863 0.310 616 HA ARG 674 HA ARG 674 -12.347 7.035 -1.055 617 HB2 ARG 674 2HB ARG 674 -10.834 9.059 0.555 618 HB3 ARG 674 1HB ARG 674 -12.405 9.351 -0.187 619 HG2 ARG 674 2HG ARG 674 -11.784 7.251 1.870 620 HG3 ARG 674 1HG ARG 674 -12.624 8.773 2.197 621 HD2 ARG 674 2HD ARG 674 -13.566 6.468 0.477 622 HD3 ARG 674 1HD ARG 674 -14.308 7.084 1.955 623 HE ARG 674 HE ARG 674 -14.309 9.235 0.363 624 HH12 ARG 674 1HH ARG 674 -16.743 6.422 -1.206 625 HH21 ARG 674 2HH ARG 674 -16.830 8.624 -1.988 626 H ASP 675 H ASP 675 -12.833 9.283 -2.069 627 HA ASP 675 HA ASP 675 -11.704 9.234 -4.631 628 HB2 ASP 675 2HB ASP 675 -13.169 11.221 -4.952 629 HB3 ASP 675 1HB ASP 675 -14.007 9.827 -4.271 630 H GLY 676 H GLY 676 -11.344 11.496 -1.958 631 HA2 GLY 676 2HA GLY 676 -9.706 13.054 -1.452 632 HA3 GLY 676 1HA GLY 676 -8.658 12.036 -2.427 633 H THR 677 H THR 677 -7.649 13.137 -4.042 634 HA THR 677 HA THR 677 -8.860 15.593 -4.921 635 HB THR 677 HB THR 677 -5.981 14.676 -5.022 636 HG1 THR 677 1HG THR 677 -7.530 16.194 -3.294 637 HG21 THR 677 2HG THR 677 -6.509 16.107 -6.971 638 HA PRO 678 HA PRO 678 -9.203 13.327 -8.875 639 HB2 PRO 678 2HB PRO 678 -10.734 14.920 -10.220 640 HB3 PRO 678 1HB PRO 678 -11.379 14.167 -8.780 641 HG2 PRO 678 2HG PRO 678 -10.243 16.922 -9.009 642 HG3 PRO 678 1HG PRO 678 -11.789 16.427 -8.286 643 HD2 PRO 678 2HD PRO 678 -9.542 16.812 -6.746 644 HD3 PRO 678 1HD PRO 678 -10.793 15.597 -6.372 645 H TYR 679 H TYR 679 -8.492 13.540 -10.922 646 HA TYR 679 HA TYR 679 -5.967 14.771 -11.272 647 HB2 TYR 679 2HB TYR 679 -7.781 13.734 -13.446 648 HB3 TYR 679 1HB TYR 679 -6.078 14.100 -13.626 649 HD1 TYR 679 2HD TYR 679 -4.488 12.756 -12.033 650 HD2 TYR 679 1HD TYR 679 -8.439 11.625 -12.978 651 HE1 TYR 679 2HE TYR 679 -3.955 10.415 -11.439 652 HE2 TYR 679 1HE TYR 679 -7.963 9.295 -12.392 653 HH TYR 679 HH TYR 679 -5.918 7.824 -12.239 654 H ASN 680 H ASN 680 -8.741 16.510 -11.188 655 HA ASN 680 HA ASN 680 -9.387 18.620 -11.827 656 HB2 ASN 680 2HB ASN 680 -6.542 18.823 -12.883 657 HB3 ASN 680 1HB ASN 680 -7.651 20.175 -12.738 658 HD21 ASN 680 2HD ASN 680 -5.587 18.745 -9.570 659 H ASN 681 H ASN 681 -9.792 16.358 -13.509 660 HA ASN 681 HA ASN 681 -9.332 17.364 -16.201 661 HB2 ASN 681 2HB ASN 681 -9.577 15.061 -16.914 662 HB3 ASN 681 1HB ASN 681 -8.403 15.135 -15.607 663 HD21 ASN 681 2HD ASN 681 -11.656 12.838 -15.312 664 H GLU 682 H GLU 682 -11.074 16.724 -17.714 665 HA GLU 682 HA GLU 682 -13.374 18.160 -17.175 666 HB2 GLU 682 2HB GLU 682 -14.229 17.400 -19.295 667 HB3 GLU 682 1HB GLU 682 -12.514 17.728 -19.439 668 HG2 GLU 682 2HG GLU 682 -13.792 14.989 -19.240 669 HG3 GLU 682 1HG GLU 682 -13.163 15.735 -20.703 670 H LYS 683 H LYS 683 -12.844 14.737 -16.803 671 HA LYS 683 HA LYS 683 -15.636 14.163 -16.315 672 HB2 LYS 683 2HB LYS 683 -14.165 12.578 -17.491 673 HB3 LYS 683 1HB LYS 683 -13.207 12.399 -16.037 674 HG2 LYS 683 2HG LYS 683 -15.128 11.425 -14.884 675 HG3 LYS 683 1HG LYS 683 -16.103 11.625 -16.342 676 HD2 LYS 683 2HD LYS 683 -14.612 10.219 -17.562 677 HD3 LYS 683 1HD LYS 683 -13.583 10.014 -16.137 678 HE2 LYS 683 2HE LYS 683 -15.507 8.957 -14.956 679 HE3 LYS 683 1HE LYS 683 -16.459 9.115 -16.430 680 HZ1 LYS 683 3HZ LYS 683 -14.909 7.611 -17.544 681 HZ2 LYS 683 1HZ LYS 683 -15.573 6.883 -16.191 682 HZ3 LYS 683 2HZ LYS 683 -14.001 7.464 -16.132 683 H ARG 684 H ARG 684 -13.089 15.438 -14.393 684 HA ARG 684 HA ARG 684 -12.768 15.736 -12.176 685 HB2 ARG 684 2HB ARG 684 -15.172 16.571 -12.380 686 HB3 ARG 684 1HB ARG 684 -15.710 14.963 -11.928 687 HG2 ARG 684 2HG ARG 684 -15.853 16.391 -10.003 688 HG3 ARG 684 1HG ARG 684 -14.526 15.255 -9.759 689 HD2 ARG 684 2HD ARG 684 -12.933 16.977 -10.478 690 HD3 ARG 684 1HD ARG 684 -14.272 18.113 -10.681 691 HE ARG 684 HE ARG 684 -14.033 16.938 -8.066 692 HH12 ARG 684 1HH ARG 684 -12.701 20.699 -8.843 693 HH21 ARG 684 2HH ARG 684 -12.765 19.894 -6.592 694 H THR 685 H THR 685 -11.724 13.535 -12.970 695 HA THR 685 HA THR 685 -12.827 11.187 -11.745 696 HB THR 685 HB THR 685 -10.234 11.563 -13.259 697 HG1 THR 685 1HG THR 685 -11.513 10.617 -14.971 698 HG21 THR 685 2HG THR 685 -10.326 9.616 -11.882 699 HA PRO 686 HA PRO 686 -10.425 12.145 -8.051 700 HB2 PRO 686 2HB PRO 686 -11.299 10.048 -6.602 701 HB3 PRO 686 1HB PRO 686 -12.259 11.508 -6.816 702 HG2 PRO 686 2HG PRO 686 -12.477 8.858 -8.169 703 HG3 PRO 686 1HG PRO 686 -13.765 9.962 -7.657 704 HD2 PRO 686 2HD PRO 686 -12.889 9.718 -10.231 705 HD3 PRO 686 1HD PRO 686 -13.624 11.195 -9.584 706 H ARG 687 H ARG 687 -8.438 11.484 -7.338 707 HA ARG 687 HA ARG 687 -7.297 9.106 -8.525 708 HB2 ARG 687 2HB ARG 687 -6.116 11.016 -6.495 709 HB3 ARG 687 1HB ARG 687 -5.238 9.762 -7.339 710 HG2 ARG 687 2HG ARG 687 -5.671 11.007 -9.454 711 HG3 ARG 687 1HG ARG 687 -6.378 12.301 -8.469 712 HD2 ARG 687 2HD ARG 687 -4.261 12.378 -7.172 713 HD3 ARG 687 1HD ARG 687 -3.567 11.229 -8.307 714 HE ARG 687 HE ARG 687 -4.530 13.890 -9.100 715 HH12 ARG 687 1HH ARG 687 -1.005 12.231 -10.248 716 HH21 ARG 687 2HH ARG 687 -1.478 14.513 -10.751 717 H ALA 688 H ALA 688 -7.405 7.225 -7.535 718 HA ALA 688 HA ALA 688 -7.837 7.195 -4.634 719 HB1 ALA 688 1HB ALA 688 -9.184 5.400 -6.662 720 HB2 ALA 688 2HB ALA 688 -9.964 6.709 -5.771 721 HB3 ALA 688 3HB ALA 688 -9.359 5.295 -4.913 722 H THR 689 H THR 689 -7.279 5.015 -3.742 723 HA THR 689 HA THR 689 -5.073 3.834 -5.269 724 HB THR 689 HB THR 689 -5.188 4.315 -2.282 725 HG1 THR 689 1HG THR 689 -4.801 6.147 -3.630 726 HG21 THR 689 2HG THR 689 -2.980 3.175 -4.002 727 H LEU 690 H LEU 690 -5.149 1.690 -5.507 728 HA LEU 690 HA LEU 690 -6.914 0.178 -3.746 729 HB2 LEU 690 2HB LEU 690 -7.675 0.467 -6.163 730 HB3 LEU 690 1HB LEU 690 -6.218 -0.360 -6.648 731 HG LEU 690 HG LEU 690 -8.166 -1.816 -6.795 732 HD13 LEU 690 1HD LEU 690 -6.075 -2.894 -6.285 733 HD21 LEU 690 2HD LEU 690 -9.547 -0.788 -5.101 734 H ILE 691 H ILE 691 -5.644 -0.945 -2.490 735 HA ILE 691 HA ILE 691 -2.978 -1.721 -3.451 736 HB ILE 691 HB ILE 691 -4.035 -1.778 -0.598 737 HG12 ILE 691 1HG ILE 691 -2.152 0.195 -1.887 738 HG23 ILE 691 2HG ILE 691 -2.189 -3.361 -1.042 739 HD11 ILE 691 1HD ILE 691 -3.503 0.307 0.800 740 H THR 692 H THR 692 -2.675 -3.755 -4.015 741 HA THR 692 HA THR 692 -4.756 -5.716 -3.389 742 HB THR 692 HB THR 692 -2.544 -5.806 -5.366 743 HG1 THR 692 1HG THR 692 -4.567 -4.180 -5.324 744 HG21 THR 692 2HG THR 692 -4.044 -7.397 -6.557 745 H PHE 693 H PHE 693 -4.198 -7.140 -1.843 746 HA PHE 693 HA PHE 693 -1.391 -7.417 -1.098 747 HB2 PHE 693 2HB PHE 693 -3.926 -8.221 0.276 748 HB3 PHE 693 1HB PHE 693 -2.316 -8.429 0.943 749 HD1 PHE 693 1HD PHE 693 -4.690 -5.816 -0.220 750 HD2 PHE 693 2HD PHE 693 -1.298 -6.693 2.187 751 HE1 PHE 693 1HE PHE 693 -4.830 -3.593 0.794 752 HE2 PHE 693 2HE PHE 693 -1.431 -4.477 3.191 753 HZ PHE 693 HZ PHE 693 -3.195 -2.926 2.500 754 H LEU 694 H LEU 694 -0.365 -9.193 -1.575 755 HA LEU 694 HA LEU 694 -1.904 -11.539 -2.423 756 HB2 LEU 694 2HB LEU 694 0.900 -10.699 -3.178 757 HB3 LEU 694 1HB LEU 694 0.176 -12.222 -3.616 758 HG LEU 694 HG LEU 694 0.190 -10.865 -5.496 759 HD13 LEU 694 1HD LEU 694 -2.608 -10.883 -4.409 760 HD21 LEU 694 2HD LEU 694 -1.185 -8.687 -3.925 761 H CYS 695 H CYS 695 -1.201 -13.487 -1.730 762 HA CYS 695 HA CYS 695 0.020 -13.481 0.881 763 HB2 CYS 695 2HB CYS 695 -1.953 -14.808 0.627 764 HB3 CYS 695 1HB CYS 695 -1.324 -15.615 -0.795 765 H ASP 696 H ASP 696 2.113 -13.845 1.189 766 HA ASP 696 HA ASP 696 3.419 -15.777 -0.541 767 HB2 ASP 696 2HB ASP 696 3.986 -13.389 -1.305 768 HB3 ASP 696 1HB ASP 696 4.854 -13.234 0.223 769 H ARG 697 H ARG 697 4.647 -17.121 0.576 770 HA ARG 697 HA ARG 697 4.407 -17.211 3.391 771 HB2 ARG 697 2HB ARG 697 6.131 -18.821 1.530 772 HB3 ARG 697 1HB ARG 697 5.951 -19.149 3.244 773 HG2 ARG 697 2HG ARG 697 3.613 -19.625 2.954 774 HG3 ARG 697 1HG ARG 697 3.683 -19.164 1.253 775 HD2 ARG 697 2HD ARG 697 5.209 -21.423 2.537 776 HD3 ARG 697 1HD ARG 697 3.766 -21.599 1.536 777 HE ARG 697 HE ARG 697 5.261 -20.343 -0.167 778 HH12 ARG 697 1HH ARG 697 7.577 -23.445 1.047 779 HH21 ARG 697 2HH ARG 697 7.954 -22.424 -1.054 780 H ASP 698 H ASP 698 7.035 -16.130 1.293 781 HA ASP 698 HA ASP 698 8.709 -15.797 3.680 782 HB2 ASP 698 2HB ASP 698 9.409 -15.578 0.744 783 HB3 ASP 698 1HB ASP 698 10.532 -15.296 2.064 784 H ALA 699 H ALA 699 8.304 -13.971 4.631 785 HA ALA 699 HA ALA 699 8.906 -11.458 3.736 786 HB1 ALA 699 1HB ALA 699 6.694 -10.423 3.359 787 HB2 ALA 699 2HB ALA 699 5.926 -12.000 3.517 788 HB3 ALA 699 3HB ALA 699 6.996 -11.683 2.155 789 H GLY 700 H GLY 700 7.352 -9.887 5.070 790 HA2 GLY 700 2HA GLY 700 6.560 -11.080 7.585 791 HA3 GLY 700 1HA GLY 700 7.663 -9.695 7.589 792 H VAL 701 H VAL 701 6.938 -7.645 7.003 793 HA VAL 701 HA VAL 701 4.152 -7.352 7.027 794 HB VAL 701 HB VAL 701 4.707 -4.956 6.711 795 HG13 VAL 701 1HG VAL 701 5.632 -4.647 8.979 796 HG21 VAL 701 2HG VAL 701 7.017 -4.196 7.045 797 H GLY 702 H GLY 702 6.743 -7.024 4.603 798 HA2 GLY 702 2HA GLY 702 6.421 -7.468 2.373 799 HA3 GLY 702 1HA GLY 702 4.694 -7.186 2.582 800 H PHE 703 H PHE 703 6.725 -6.079 0.820 801 HA PHE 703 HA PHE 703 6.299 -3.242 1.419 802 HB2 PHE 703 2HB PHE 703 8.388 -4.505 -0.370 803 HB3 PHE 703 1HB PHE 703 8.137 -2.775 -0.202 804 HD1 PHE 703 2HD PHE 703 8.535 -1.697 1.997 805 HD2 PHE 703 1HD PHE 703 9.657 -5.718 1.203 806 HE1 PHE 703 2HE PHE 703 10.066 -1.650 3.921 807 HE2 PHE 703 1HE PHE 703 11.183 -5.677 3.125 808 HZ PHE 703 HZ PHE 703 11.385 -3.635 4.487 809 HA PRO 704 HA PRO 704 3.519 -3.274 -2.051 810 HB2 PRO 704 2HB PRO 704 3.015 -0.640 -2.155 811 HB3 PRO 704 1HB PRO 704 2.368 -1.656 -0.862 812 HG2 PRO 704 2HG PRO 704 4.751 0.154 -0.826 813 HG3 PRO 704 1HG PRO 704 3.489 -0.052 0.405 814 HD2 PRO 704 2HD PRO 704 5.932 -1.244 0.571 815 HD3 PRO 704 1HD PRO 704 4.459 -1.952 1.258 816 H GLU 705 H GLU 705 3.649 -2.864 -4.196 817 HA GLU 705 HA GLU 705 5.908 -1.266 -5.176 818 HB2 GLU 705 2HB GLU 705 6.309 -3.708 -5.393 819 HB3 GLU 705 1HB GLU 705 4.819 -3.854 -6.306 820 HG2 GLU 705 2HG GLU 705 6.728 -3.868 -7.760 821 HG3 GLU 705 1HG GLU 705 5.732 -2.443 -8.051 822 H TYR 706 H TYR 706 5.428 -0.067 -7.051 823 HA TYR 706 HA TYR 706 2.572 0.317 -7.436 824 HB2 TYR 706 2HB TYR 706 3.793 2.373 -7.114 825 HB3 TYR 706 1HB TYR 706 4.887 2.011 -8.436 826 HD1 TYR 706 2HD TYR 706 1.224 2.451 -7.764 827 HD2 TYR 706 1HD TYR 706 4.421 2.916 -10.543 828 HE1 TYR 706 2HE TYR 706 -0.277 3.564 -9.278 829 HE2 TYR 706 1HE TYR 706 2.912 4.055 -12.079 830 HH TYR 706 HH TYR 706 -0.051 5.246 -11.224 831 H GLN 707 H GLN 707 1.549 -0.760 -8.878 832 HA GLN 707 HA GLN 707 3.029 -1.862 -11.082 833 HB2 GLN 707 2HB GLN 707 0.566 -2.553 -9.655 834 HB3 GLN 707 1HB GLN 707 0.540 -2.848 -11.386 835 HG2 GLN 707 2HG GLN 707 1.333 -4.665 -9.706 836 HG3 GLN 707 1HG GLN 707 2.124 -4.493 -11.275 837 HE21 GLN 707 2HE GLN 707 5.215 -3.572 -9.930 838 H GLU 708 H GLU 708 -0.202 -0.329 -10.842 839 HA GLU 708 HA GLU 708 0.436 1.395 -13.009 840 HB2 GLU 708 2HB GLU 708 -1.112 0.359 -14.644 841 HB3 GLU 708 1HB GLU 708 0.329 -0.592 -14.316 842 HG2 GLU 708 2HG GLU 708 -0.998 -2.008 -12.773 843 HG3 GLU 708 1HG GLU 708 -2.430 -1.085 -13.204 844 H GLU 709 H GLU 709 -0.794 3.108 -12.712 845 HA GLU 709 HA GLU 709 -3.496 2.838 -11.680 846 HB2 GLU 709 2HB GLU 709 -1.947 4.906 -11.440 847 HB3 GLU 709 1HB GLU 709 -2.296 5.225 -13.135 848 HG2 GLU 709 2HG GLU 709 -4.283 5.193 -10.848 849 HG3 GLU 709 1HG GLU 709 -3.642 6.621 -11.638 850 H ASP 710 H ASP 710 -5.246 2.897 -13.088 851 HA ASP 710 HA ASP 710 -4.923 2.866 -15.965 852 HB2 ASP 710 2HB ASP 710 -3.934 0.675 -15.349 853 HB3 ASP 710 1HB ASP 710 -5.436 0.243 -14.546 854 H ASN 711 H ASN 711 -6.698 2.169 -13.132 855 HA ASN 711 HA ASN 711 -9.246 1.825 -14.462 856 HB2 ASN 711 2HB ASN 711 -8.569 1.864 -11.534 857 HB3 ASN 711 1HB ASN 711 -10.075 1.290 -12.240 858 HD21 ASN 711 2HD ASN 711 -6.820 -1.108 -11.957 859 H SER 712 H SER 712 -7.684 4.115 -12.212 860 HA SER 712 HA SER 712 -8.626 6.478 -12.451 861 HB2 SER 712 2HB SER 712 -11.039 5.628 -12.505 862 HB3 SER 712 1HB SER 712 -10.779 4.951 -10.900 863 HG SER 712 HG SER 712 -10.117 7.360 -10.492 864 H THR 713 H THR 713 -8.314 3.658 -10.627 865 HA THR 713 HA THR 713 -7.262 5.055 -8.322 866 HB THR 713 HB THR 713 -9.234 3.654 -7.873 867 HG1 THR 713 1HG THR 713 -8.458 2.829 -6.131 868 HG21 THR 713 2HG THR 713 -7.570 1.377 -8.922 869 H TYR 714 H TYR 714 -5.295 4.408 -7.571 870 HA TYR 714 HA TYR 714 -3.449 3.299 -9.513 871 HB2 TYR 714 2HB TYR 714 -3.040 4.467 -6.747 872 HB3 TYR 714 1HB TYR 714 -1.739 3.942 -7.799 873 HD1 TYR 714 1HD TYR 714 -4.645 6.296 -7.750 874 HD2 TYR 714 2HD TYR 714 -0.714 5.534 -9.173 875 HE1 TYR 714 1HE TYR 714 -4.560 8.543 -8.719 876 HE2 TYR 714 2HE TYR 714 -0.630 7.780 -10.143 877 HH TYR 714 HH TYR 714 -2.216 9.469 -10.922 878 H ASN 715 H ASN 715 -2.874 1.187 -9.476 879 HA ASN 715 HA ASN 715 -3.595 -0.370 -7.110 880 HB2 ASN 715 2HB ASN 715 -3.016 -0.947 -9.915 881 HB3 ASN 715 1HB ASN 715 -2.871 -2.280 -8.755 882 HD21 ASN 715 2HD ASN 715 -6.333 -2.691 -8.414 883 H PHE 716 H PHE 716 -2.271 -1.033 -5.774 884 HA PHE 716 HA PHE 716 0.577 -1.205 -6.434 885 HB2 PHE 716 2HB PHE 716 -0.740 -0.673 -3.763 886 HB3 PHE 716 1HB PHE 716 0.969 -1.006 -3.976 887 HD1 PHE 716 1HD PHE 716 -1.706 1.420 -4.695 888 HD2 PHE 716 2HD PHE 716 2.459 0.612 -4.764 889 HE1 PHE 716 1HE PHE 716 -1.252 3.800 -5.138 890 HE2 PHE 716 2HE PHE 716 2.916 2.976 -5.205 891 HZ PHE 716 HZ PHE 716 1.081 4.563 -5.399 892 H ARG 717 H ARG 717 1.645 -2.965 -5.887 893 HA ARG 717 HA ARG 717 0.052 -5.342 -5.250 894 HB2 ARG 717 2HB ARG 717 1.138 -5.449 -7.374 895 HB3 ARG 717 1HB ARG 717 2.650 -4.894 -6.692 896 HG2 ARG 717 2HG ARG 717 2.936 -6.937 -5.535 897 HG3 ARG 717 1HG ARG 717 1.356 -7.541 -6.091 898 HD2 ARG 717 2HD ARG 717 3.195 -8.473 -7.418 899 HD3 ARG 717 1HD ARG 717 2.166 -7.435 -8.404 900 HE ARG 717 HE ARG 717 3.984 -5.695 -7.822 901 HH12 ARG 717 1HH ARG 717 6.092 -8.898 -9.206 902 HH21 ARG 717 2HH ARG 717 7.000 -6.711 -9.376 903 H TRP 718 H TRP 718 0.280 -6.123 -3.250 904 HA TRP 718 HA TRP 718 2.730 -5.464 -1.743 905 HB2 TRP 718 2HB TRP 718 0.484 -4.357 -1.047 906 HB3 TRP 718 1HB TRP 718 -0.027 -5.974 -0.632 907 HD1 TRP 718 HD TRP 718 2.036 -7.188 1.113 908 HE1 TRP 718 1HE TRP 718 2.875 -6.101 3.304 909 HE3 TRP 718 3HE TRP 718 0.682 -2.371 0.201 910 HZ2 TRP 718 2HZ TRP 718 2.939 -3.576 4.473 911 HZ3 TRP 718 3HZ TRP 718 1.155 -0.676 1.908 912 HH2 TRP 718 HH TRP 718 2.256 -1.268 3.995 913 H TYR 719 H TYR 719 3.834 -7.305 -1.212 914 HA TYR 719 HA TYR 719 2.385 -9.877 -1.165 915 HB2 TYR 719 2HB TYR 719 5.322 -9.228 -1.310 916 HB3 TYR 719 1HB TYR 719 4.703 -10.866 -1.104 917 HD1 TYR 719 2HD TYR 719 3.304 -11.862 -2.935 918 HD2 TYR 719 1HD TYR 719 5.447 -8.228 -3.455 919 HE1 TYR 719 2HE TYR 719 3.131 -12.119 -5.367 920 HE2 TYR 719 1HE TYR 719 5.280 -8.477 -5.888 921 HH TYR 719 HH TYR 719 3.195 -10.725 -7.358 922 H THR 720 H THR 720 1.618 -10.309 0.821 923 HA THR 720 HA THR 720 3.446 -9.787 3.026 924 HB THR 720 HB THR 720 1.828 -7.950 3.045 925 HG1 THR 720 1HG THR 720 2.315 -8.315 5.030 926 HG21 THR 720 2HG THR 720 -0.069 -9.073 1.928 927 H SER 721 H SER 721 3.515 -11.244 4.587 928 HA SER 721 HA SER 721 2.383 -13.776 4.180 929 HB2 SER 721 2HB SER 721 3.910 -12.585 6.488 930 HB3 SER 721 1HB SER 721 3.495 -14.305 6.332 931 HG SER 721 HG SER 721 4.571 -13.946 4.126 932 H TYR 722 H TYR 722 1.273 -10.911 5.852 933 HA TYR 722 HA TYR 722 -0.411 -12.235 7.682 934 HB2 TYR 722 2HB TYR 722 -0.460 -9.400 6.646 935 HB3 TYR 722 1HB TYR 722 -1.497 -10.024 7.907 936 HD1 TYR 722 1HD TYR 722 -0.624 -10.596 10.104 937 HD2 TYR 722 2HD TYR 722 1.924 -8.997 7.101 938 HE1 TYR 722 1HE TYR 722 1.070 -10.113 11.811 939 HE2 TYR 722 2HE TYR 722 3.630 -8.513 8.796 940 HH TYR 722 HH TYR 722 3.495 -9.773 11.944 941 H ALA 723 H ALA 723 -0.635 -11.885 4.350 942 HA ALA 723 HA ALA 723 -3.550 -12.057 4.312 943 HB1 ALA 723 1HB ALA 723 -3.305 -12.033 1.859 944 HB2 ALA 723 2HB ALA 723 -1.552 -12.082 2.041 945 HB3 ALA 723 3HB ALA 723 -2.456 -10.673 2.603 946 H CYS 724 H CYS 724 -1.151 -14.052 4.981 947 HA CYS 724 HA CYS 724 -2.217 -16.366 3.556 948 HB2 CYS 724 2HB CYS 724 0.379 -16.006 5.053 949 HB3 CYS 724 1HB CYS 724 -0.089 -17.432 4.128 950 HA PRO 725 HA PRO 725 -3.439 -17.631 7.715 951 HB2 PRO 725 2HB PRO 725 -4.612 -19.998 7.024 952 HB3 PRO 725 1HB PRO 725 -5.388 -18.432 6.778 953 HG2 PRO 725 2HG PRO 725 -4.315 -20.281 4.788 954 HG3 PRO 725 1HG PRO 725 -5.358 -18.873 4.554 955 HD2 PRO 725 2HD PRO 725 -2.480 -19.105 4.177 956 HD3 PRO 725 1HD PRO 725 -3.568 -17.772 3.739 Start of MODEL 11 1 H1 GLU 578 1HT GLU 578 -23.546 5.280 -3.431 2 H2 GLU 578 2HT GLU 578 -24.124 6.526 -2.461 3 H3 GLU 578 3HT GLU 578 -23.452 5.138 -1.758 4 HA GLU 578 HA GLU 578 -21.980 7.078 -3.461 5 HB2 GLU 578 2HB GLU 578 -22.725 7.763 -1.060 6 HB3 GLU 578 1HB GLU 578 -21.642 6.511 -0.500 7 HG2 GLU 578 2HG GLU 578 -20.867 8.982 -2.053 8 HG3 GLU 578 1HG GLU 578 -20.639 8.721 -0.332 9 H ALA 579 H ALA 579 -21.637 4.519 -0.995 10 HA ALA 579 HA ALA 579 -20.238 2.768 -2.691 11 HB1 ALA 579 1HB ALA 579 -18.137 2.688 -1.422 12 HB2 ALA 579 2HB ALA 579 -18.671 4.041 -0.425 13 HB3 ALA 579 3HB ALA 579 -18.349 4.278 -2.144 14 H GLU 580 H GLU 580 -21.949 1.499 -2.055 15 HA GLU 580 HA GLU 580 -21.833 0.585 0.723 16 HB2 GLU 580 2HB GLU 580 -24.311 0.748 -1.011 17 HB3 GLU 580 1HB GLU 580 -24.239 0.103 0.610 18 HG2 GLU 580 2HG GLU 580 -25.273 2.237 0.736 19 HG3 GLU 580 1HG GLU 580 -23.659 2.415 1.413 20 H ALA 581 H ALA 581 -22.174 -1.685 0.964 21 HA ALA 581 HA ALA 581 -22.492 -3.237 -1.470 22 HB1 ALA 581 1HB ALA 581 -20.605 -4.698 -0.903 23 HB2 ALA 581 2HB ALA 581 -20.226 -3.675 0.485 24 HB3 ALA 581 3HB ALA 581 -20.062 -3.040 -1.152 25 H GLU 582 H GLU 582 -24.321 -4.272 -0.988 26 HA GLU 582 HA GLU 582 -24.998 -4.984 1.690 27 HB2 GLU 582 2HB GLU 582 -26.976 -6.134 0.724 28 HB3 GLU 582 1HB GLU 582 -26.813 -4.502 0.121 29 HG2 GLU 582 2HG GLU 582 -25.985 -5.307 -1.992 30 HG3 GLU 582 1HG GLU 582 -25.940 -6.961 -1.385 31 H PHE 583 H PHE 583 -23.851 -6.737 -1.122 32 HA PHE 583 HA PHE 583 -22.206 -8.499 0.199 33 HB2 PHE 583 2HB PHE 583 -24.505 -9.440 0.952 34 HB3 PHE 583 1HB PHE 583 -24.737 -9.870 -0.740 35 HD1 PHE 583 1HD PHE 583 -23.411 -11.655 -1.760 36 HD2 PHE 583 2HD PHE 583 -22.951 -10.599 2.332 37 HE1 PHE 583 1HE PHE 583 -22.181 -13.753 -1.350 38 HE2 PHE 583 2HE PHE 583 -21.730 -12.683 2.744 39 HZ PHE 583 HZ PHE 583 -21.343 -14.264 0.894 40 H LEU 584 H LEU 584 -20.965 -9.503 -1.400 41 HA LEU 584 HA LEU 584 -21.774 -9.637 -4.138 42 HB2 LEU 584 2HB LEU 584 -21.367 -7.156 -3.679 43 HB3 LEU 584 1HB LEU 584 -19.733 -7.566 -3.235 44 HG LEU 584 HG LEU 584 -19.371 -8.328 -5.613 45 HD13 LEU 584 1HD LEU 584 -20.955 -7.623 -7.307 46 HD21 LEU 584 2HD LEU 584 -20.239 -5.471 -5.207 47 H SER 585 H SER 585 -19.279 -9.933 -5.257 48 HA SER 585 HA SER 585 -17.964 -11.984 -3.776 49 HB2 SER 585 2HB SER 585 -17.037 -10.452 -6.219 50 HB3 SER 585 1HB SER 585 -16.343 -11.959 -5.621 51 HG SER 585 HG SER 585 -18.815 -12.528 -5.818 52 H ARG 586 H ARG 586 -18.152 -8.958 -3.059 53 HA ARG 586 HA ARG 586 -15.404 -8.553 -2.102 54 HB2 ARG 586 2HB ARG 586 -16.152 -6.653 -3.482 55 HB3 ARG 586 1HB ARG 586 -17.626 -6.513 -2.520 56 HG2 ARG 586 2HG ARG 586 -16.058 -6.199 -0.503 57 HG3 ARG 586 1HG ARG 586 -14.796 -5.927 -1.690 58 HD2 ARG 586 2HD ARG 586 -17.350 -4.316 -1.457 59 HD3 ARG 586 1HD ARG 586 -15.810 -3.845 -0.765 60 HE ARG 586 HE ARG 586 -15.700 -4.260 -3.611 61 HH12 ARG 586 1HH ARG 586 -16.233 -0.549 -2.098 62 HH21 ARG 586 2HH ARG 586 -15.694 -0.844 -4.327 63 H THR 587 H THR 587 -15.292 -8.981 0.029 64 HA THR 587 HA THR 587 -17.652 -8.355 1.631 65 HB THR 587 HB THR 587 -16.336 -10.615 2.009 66 HG1 THR 587 1HG THR 587 -16.207 -9.874 4.459 67 HG21 THR 587 2HG THR 587 -14.485 -8.674 3.380 68 H GLU 588 H GLU 588 -17.439 -6.651 3.193 69 HA GLU 588 HA GLU 588 -14.947 -5.175 2.828 70 HB2 GLU 588 2HB GLU 588 -16.794 -4.211 1.506 71 HB3 GLU 588 1HB GLU 588 -17.691 -3.952 2.991 72 HG2 GLU 588 2HG GLU 588 -15.998 -2.421 3.777 73 HG3 GLU 588 1HG GLU 588 -15.030 -2.723 2.333 74 H GLY 589 H GLY 589 -13.955 -4.585 4.558 75 HA2 GLY 589 2HA GLY 589 -15.277 -4.879 7.170 76 HA3 GLY 589 1HA GLY 589 -13.533 -4.907 6.896 77 H ASP 590 H ASP 590 -14.520 -3.231 8.818 78 HA ASP 590 HA ASP 590 -14.684 -0.622 7.468 79 HB2 ASP 590 2HB ASP 590 -16.601 -0.993 8.922 80 HB3 ASP 590 1HB ASP 590 -15.531 -1.312 10.287 81 H ASN 591 H ASN 591 -13.051 -2.306 10.032 82 HA ASN 591 HA ASN 591 -11.092 -0.151 10.137 83 HB2 ASN 591 2HB ASN 591 -11.599 -2.502 11.961 84 HB3 ASN 591 1HB ASN 591 -10.101 -1.586 12.049 85 HD21 ASN 591 2HD ASN 591 -12.732 -0.290 14.404 86 H CYS 592 H CYS 592 -8.724 -1.470 10.702 87 HA CYS 592 HA CYS 592 -7.951 -2.225 8.142 88 HB2 CYS 592 2HB CYS 592 -6.240 -2.805 10.505 89 HB3 CYS 592 1HB CYS 592 -5.914 -1.987 8.976 90 H THR 593 H THR 593 -10.013 -4.146 9.408 91 HA THR 593 HA THR 593 -8.451 -6.629 9.143 92 HB THR 593 HB THR 593 -10.094 -7.657 10.755 93 HG1 THR 593 1HG THR 593 -11.501 -5.690 10.494 94 HG21 THR 593 2HG THR 593 -8.379 -5.440 11.874 95 H VAL 594 H VAL 594 -9.541 -8.242 7.949 96 HA VAL 594 HA VAL 594 -12.199 -7.494 7.070 97 HB VAL 594 HB VAL 594 -10.537 -6.854 5.332 98 HG13 VAL 594 1HG VAL 594 -9.489 -8.567 3.938 99 HG21 VAL 594 2HG VAL 594 -12.823 -7.298 4.702 100 H PHE 595 H PHE 595 -13.658 -9.111 7.055 101 HA PHE 595 HA PHE 595 -12.595 -11.812 6.990 102 HB2 PHE 595 2HB PHE 595 -13.452 -11.581 9.253 103 HB3 PHE 595 1HB PHE 595 -14.978 -10.924 8.650 104 HD1 PHE 595 2HD PHE 595 -12.895 -13.904 7.769 105 HD2 PHE 595 1HD PHE 595 -16.716 -12.432 8.917 106 HE1 PHE 595 2HE PHE 595 -13.795 -16.155 7.544 107 HE2 PHE 595 1HE PHE 595 -17.639 -14.710 8.720 108 HZ PHE 595 HZ PHE 595 -16.178 -16.580 8.036 109 H ASP 596 H ASP 596 -13.279 -13.037 5.475 110 HA ASP 596 HA ASP 596 -15.408 -12.010 3.703 111 HB2 ASP 596 2HB ASP 596 -13.057 -12.126 2.840 112 HB3 ASP 596 1HB ASP 596 -13.103 -13.838 3.149 113 H SER 597 H SER 597 -17.204 -13.003 3.696 114 HA SER 597 HA SER 597 -17.674 -15.311 5.204 115 HB2 SER 597 2HB SER 597 -19.957 -15.023 4.150 116 HB3 SER 597 1HB SER 597 -19.336 -13.650 5.072 117 HG SER 597 HG SER 597 -20.085 -13.743 2.544 118 H GLN 598 H GLN 598 -17.178 -14.726 1.757 119 HA GLN 598 HA GLN 598 -18.173 -17.271 0.990 120 HB2 GLN 598 2HB GLN 598 -17.182 -16.694 -1.182 121 HB3 GLN 598 1HB GLN 598 -18.365 -15.473 -0.635 122 HG2 GLN 598 2HG GLN 598 -16.404 -14.196 0.179 123 HG3 GLN 598 1HG GLN 598 -15.376 -15.406 -0.546 124 HE21 GLN 598 2HE GLN 598 -15.688 -12.331 -2.548 125 H ALA 599 H ALA 599 -14.909 -15.876 1.528 126 HA ALA 599 HA ALA 599 -13.640 -18.290 0.704 127 HB1 ALA 599 1HB ALA 599 -11.570 -17.159 1.358 128 HB2 ALA 599 2HB ALA 599 -12.518 -15.964 2.250 129 HB3 ALA 599 3HB ALA 599 -12.644 -16.017 0.508 130 H GLY 600 H GLY 600 -14.842 -16.901 3.636 131 HA2 GLY 600 2HA GLY 600 -15.156 -17.857 5.725 132 HA3 GLY 600 1HA GLY 600 -14.572 -19.376 5.061 133 H PHE 601 H PHE 601 -12.597 -16.564 4.751 134 HA PHE 601 HA PHE 601 -10.899 -17.488 6.960 135 HB2 PHE 601 2HB PHE 601 -9.980 -16.419 4.282 136 HB3 PHE 601 1HB PHE 601 -8.922 -16.729 5.647 137 HD1 PHE 601 2HD PHE 601 -9.015 -19.219 6.540 138 HD2 PHE 601 1HD PHE 601 -10.178 -17.978 2.641 139 HE1 PHE 601 2HE PHE 601 -8.646 -21.502 5.699 140 HE2 PHE 601 1HE PHE 601 -9.819 -20.257 1.799 141 HZ PHE 601 HZ PHE 601 -9.050 -22.025 3.333 142 H SER 602 H SER 602 -10.012 -15.918 8.228 143 HA SER 602 HA SER 602 -10.920 -13.191 7.699 144 HB2 SER 602 2HB SER 602 -10.589 -12.910 10.173 145 HB3 SER 602 1HB SER 602 -11.837 -14.083 9.744 146 HG SER 602 HG SER 602 -10.470 -14.861 11.371 147 H PHE 603 H PHE 603 -9.456 -11.534 7.749 148 HA PHE 603 HA PHE 603 -6.665 -12.299 8.069 149 HB2 PHE 603 2HB PHE 603 -7.862 -10.818 5.718 150 HB3 PHE 603 1HB PHE 603 -6.137 -10.860 6.052 151 HD1 PHE 603 1HD PHE 603 -4.891 -12.939 5.837 152 HD2 PHE 603 2HD PHE 603 -9.032 -12.831 4.720 153 HE1 PHE 603 1HE PHE 603 -4.644 -15.041 4.616 154 HE2 PHE 603 2HE PHE 603 -8.736 -14.916 3.528 155 HZ PHE 603 HZ PHE 603 -6.568 -16.028 3.463 156 H ASP 604 H ASP 604 -5.510 -10.948 9.254 157 HA ASP 604 HA ASP 604 -6.626 -8.296 10.180 158 HB2 ASP 604 2HB ASP 604 -6.219 -10.195 11.835 159 HB3 ASP 604 1HB ASP 604 -4.537 -10.152 11.339 160 H LEU 605 H LEU 605 -5.873 -6.724 9.011 161 HA LEU 605 HA LEU 605 -3.121 -6.913 8.165 162 HB2 LEU 605 2HB LEU 605 -5.416 -5.244 7.134 163 HB3 LEU 605 1HB LEU 605 -3.762 -4.951 6.660 164 HG LEU 605 HG LEU 605 -4.888 -6.138 4.932 165 HD13 LEU 605 1HD LEU 605 -2.570 -6.693 5.172 166 HD21 LEU 605 2HD LEU 605 -5.777 -8.420 5.202 167 H THR 606 H THR 606 -4.289 -6.217 10.787 168 HA THR 606 HA THR 606 -4.198 -3.554 11.334 169 HB THR 606 HB THR 606 -3.782 -5.944 13.130 170 HG1 THR 606 1HG THR 606 -5.763 -6.381 12.733 171 HG21 THR 606 2HG THR 606 -4.990 -4.609 14.653 172 HA PRO 607 HA PRO 607 0.457 -4.278 12.898 173 HB2 PRO 607 2HB PRO 607 1.386 -6.486 11.163 174 HB3 PRO 607 1HB PRO 607 1.644 -6.246 12.894 175 HG2 PRO 607 2HG PRO 607 -0.002 -8.146 12.017 176 HG3 PRO 607 1HG PRO 607 -0.391 -7.194 13.460 177 HD2 PRO 607 2HD PRO 607 -1.421 -6.888 10.661 178 HD3 PRO 607 1HD PRO 607 -2.323 -6.873 12.192 179 H LEU 608 H LEU 608 -0.706 -4.653 9.737 180 HA LEU 608 HA LEU 608 1.552 -3.895 8.202 181 HB2 LEU 608 2HB LEU 608 -1.394 -3.958 7.609 182 HB3 LEU 608 1HB LEU 608 -0.222 -3.412 6.427 183 HG LEU 608 HG LEU 608 -0.957 -5.745 6.009 184 HD13 LEU 608 1HD LEU 608 1.181 -6.744 5.775 185 HD21 LEU 608 2HD LEU 608 -0.386 -7.535 7.498 186 H THR 609 H THR 609 -0.734 -2.111 10.019 187 HA THR 609 HA THR 609 -0.440 0.394 8.620 188 HB THR 609 HB THR 609 -1.491 -0.185 11.407 189 HG1 THR 609 1HG THR 609 -2.927 0.005 8.972 190 HG21 THR 609 2HG THR 609 -2.782 1.866 11.048 191 H LYS 610 H LYS 610 1.230 1.582 8.646 192 HA LYS 610 HA LYS 610 2.904 1.634 11.060 193 HB2 LYS 610 2HB LYS 610 3.681 1.977 8.173 194 HB3 LYS 610 1HB LYS 610 4.718 2.380 9.525 195 HG2 LYS 610 2HG LYS 610 4.669 0.016 10.224 196 HG3 LYS 610 1HG LYS 610 3.665 -0.353 8.823 197 HD2 LYS 610 2HD LYS 610 5.424 0.363 7.322 198 HD3 LYS 610 1HD LYS 610 6.426 0.862 8.682 199 HE2 LYS 610 2HE LYS 610 5.496 -1.968 8.179 200 HE3 LYS 610 1HE LYS 610 7.062 -1.345 7.690 201 HZ1 LYS 610 3HZ LYS 610 6.058 -1.534 10.476 202 HZ2 LYS 610 1HZ LYS 610 7.578 -0.926 10.004 203 HZ3 LYS 610 2HZ LYS 610 7.189 -2.552 9.751 204 H LYS 611 H LYS 611 3.453 3.622 11.849 205 HA LYS 611 HA LYS 611 1.859 5.891 11.114 206 HB2 LYS 611 2HB LYS 611 2.983 5.282 13.386 207 HB3 LYS 611 1HB LYS 611 4.417 5.931 12.668 208 HG2 LYS 611 2HG LYS 611 3.635 7.743 13.878 209 HG3 LYS 611 1HG LYS 611 3.103 8.082 12.244 210 HD2 LYS 611 2HD LYS 611 1.352 6.913 14.438 211 HD3 LYS 611 1HD LYS 611 1.369 8.597 13.955 212 HE2 LYS 611 2HE LYS 611 0.551 7.893 11.691 213 HE3 LYS 611 1HE LYS 611 0.504 6.233 12.298 214 HZ1 LYS 611 3HZ LYS 611 -1.665 7.293 12.380 215 HZ2 LYS 611 1HZ LYS 611 -1.080 8.464 13.443 216 HZ3 LYS 611 2HZ LYS 611 -1.125 6.851 13.908 217 H ASP 612 H ASP 612 5.152 4.897 10.773 218 HA ASP 612 HA ASP 612 6.317 6.998 9.352 219 HB2 ASP 612 2HB ASP 612 6.799 4.048 9.342 220 HB3 ASP 612 1HB ASP 612 7.916 5.203 8.590 221 H ALA 613 H ALA 613 4.334 4.335 8.435 222 HA ALA 613 HA ALA 613 3.230 3.706 6.597 223 HB1 ALA 613 1HB ALA 613 2.542 6.021 6.413 224 HB2 ALA 613 2HB ALA 613 2.829 5.350 4.798 225 HB3 ALA 613 3HB ALA 613 4.024 6.408 5.556 226 H TYR 614 H TYR 614 3.575 3.645 4.026 227 HA TYR 614 HA TYR 614 6.256 2.495 3.676 228 HB2 TYR 614 2HB TYR 614 3.599 1.822 2.405 229 HB3 TYR 614 1HB TYR 614 5.132 1.077 1.976 230 HD1 TYR 614 2HD TYR 614 2.865 1.593 5.023 231 HD2 TYR 614 1HD TYR 614 5.743 -0.896 3.017 232 HE1 TYR 614 2HE TYR 614 2.553 -0.075 6.653 233 HE2 TYR 614 1HE TYR 614 5.390 -2.602 4.720 234 HH TYR 614 HH TYR 614 2.790 -2.339 6.950 235 H LYS 615 H LYS 615 7.396 3.044 1.667 236 HA LYS 615 HA LYS 615 5.984 4.907 0.020 237 HB2 LYS 615 2HB LYS 615 7.353 6.183 1.383 238 HB3 LYS 615 1HB LYS 615 8.707 5.101 1.294 239 HG2 LYS 615 2HG LYS 615 8.796 5.652 -1.147 240 HG3 LYS 615 1HG LYS 615 7.601 6.914 -0.764 241 HD2 LYS 615 2HD LYS 615 9.067 8.053 0.636 242 HD3 LYS 615 1HD LYS 615 10.104 6.657 0.872 243 HE2 LYS 615 2HE LYS 615 10.768 6.704 -1.326 244 HE3 LYS 615 1HE LYS 615 9.759 8.108 -1.709 245 HZ1 LYS 615 3HZ LYS 615 11.129 9.427 -0.126 246 HZ2 LYS 615 1HZ LYS 615 12.107 8.771 -1.326 247 HZ3 LYS 615 2HZ LYS 615 12.080 8.075 0.201 248 H VAL 616 H VAL 616 6.223 4.558 -2.031 249 HA VAL 616 HA VAL 616 8.122 2.531 -3.048 250 HB VAL 616 HB VAL 616 5.458 3.333 -4.234 251 HG13 VAL 616 1HG VAL 616 7.016 2.474 -5.883 252 HG21 VAL 616 2HG VAL 616 4.561 1.159 -3.482 253 H GLU 617 H GLU 617 9.246 3.232 -4.959 254 HA GLU 617 HA GLU 617 8.825 6.081 -5.545 255 HB2 GLU 617 2HB GLU 617 11.452 4.618 -5.441 256 HB3 GLU 617 1HB GLU 617 11.231 6.311 -5.850 257 HG2 GLU 617 2HG GLU 617 10.379 6.753 -3.627 258 HG3 GLU 617 1HG GLU 617 10.561 5.051 -3.208 259 H THR 618 H THR 618 8.955 6.746 -7.624 260 HA THR 618 HA THR 618 9.445 4.687 -9.632 261 HB THR 618 HB THR 618 8.023 6.060 -11.143 262 HG1 THR 618 1HG THR 618 6.776 7.753 -10.139 263 HG21 THR 618 2HG THR 618 6.647 5.446 -8.523 264 H ASP 619 H ASP 619 9.808 6.672 -11.720 265 HA ASP 619 HA ASP 619 12.536 7.180 -11.345 266 HB2 ASP 619 2HB ASP 619 10.654 8.507 -13.310 267 HB3 ASP 619 1HB ASP 619 12.408 8.585 -13.375 268 H LYS 620 H LYS 620 9.782 9.394 -11.121 269 HA LYS 620 HA LYS 620 11.495 11.145 -9.531 270 HB2 LYS 620 2HB LYS 620 10.676 13.191 -10.650 271 HB3 LYS 620 1HB LYS 620 11.618 12.181 -11.702 272 HG2 LYS 620 2HG LYS 620 8.650 12.383 -11.692 273 HG3 LYS 620 1HG LYS 620 9.706 13.275 -12.778 274 HD2 LYS 620 2HD LYS 620 10.500 11.123 -13.700 275 HD3 LYS 620 1HD LYS 620 9.389 10.270 -12.634 276 HE2 LYS 620 2HE LYS 620 7.509 11.457 -13.689 277 HE3 LYS 620 1HE LYS 620 8.650 12.235 -14.785 278 HZ1 LYS 620 3HZ LYS 620 8.151 9.319 -14.591 279 HZ2 LYS 620 1HZ LYS 620 9.239 10.036 -15.657 280 HZ3 LYS 620 2HZ LYS 620 7.580 10.325 -15.806 281 H TYR 621 H TYR 621 8.848 9.424 -9.313 282 HA TYR 621 HA TYR 621 7.658 11.340 -7.453 283 HB2 TYR 621 2HB TYR 621 6.198 9.414 -9.300 284 HB3 TYR 621 1HB TYR 621 5.425 10.153 -7.906 285 HD1 TYR 621 1HD TYR 621 7.497 11.225 -10.751 286 HD2 TYR 621 2HD TYR 621 4.100 11.995 -8.394 287 HE1 TYR 621 1HE TYR 621 7.072 13.229 -12.111 288 HE2 TYR 621 2HE TYR 621 3.594 14.009 -9.740 289 HH TYR 621 HH TYR 621 5.124 14.630 -12.694 290 H GLU 622 H GLU 622 6.584 10.324 -5.636 291 HA GLU 622 HA GLU 622 7.360 7.557 -5.207 292 HB2 GLU 622 2HB GLU 622 7.981 7.970 -2.919 293 HB3 GLU 622 1HB GLU 622 8.948 9.047 -3.916 294 HG2 GLU 622 2HG GLU 622 7.512 10.910 -3.359 295 HG3 GLU 622 1HG GLU 622 6.418 9.839 -2.521 296 H PHE 623 H PHE 623 5.931 6.519 -3.877 297 HA PHE 623 HA PHE 623 3.469 8.011 -3.384 298 HB2 PHE 623 2HB PHE 623 3.800 5.042 -3.854 299 HB3 PHE 623 1HB PHE 623 2.282 5.874 -3.552 300 HD1 PHE 623 1HD PHE 623 4.939 5.223 -5.974 301 HD2 PHE 623 2HD PHE 623 1.210 7.137 -5.297 302 HE1 PHE 623 1HE PHE 623 4.657 5.532 -8.380 303 HE2 PHE 623 2HE PHE 623 0.935 7.450 -7.714 304 HZ PHE 623 HZ PHE 623 2.686 6.631 -9.259 305 H HIS 624 H HIS 624 3.186 8.284 -1.285 306 HA HIS 624 HA HIS 624 4.339 6.318 0.540 307 HB2 HIS 624 2HB HIS 624 4.328 9.166 0.530 308 HB3 HIS 624 1HB HIS 624 3.260 8.649 1.826 309 HD1 HIS 624 1HD HIS 624 6.821 9.068 0.988 310 HD2 HIS 624 2HD HIS 624 4.555 6.934 3.757 311 HE1 HIS 624 1HE HIS 624 8.415 8.365 2.783 312 HE2 HIS 624 2HE HIS 624 7.001 7.284 4.542 313 H ILE 625 H ILE 625 2.906 4.991 1.442 314 HA ILE 625 HA ILE 625 0.100 5.797 1.608 315 HB ILE 625 HB ILE 625 -0.707 3.712 0.635 316 HG12 ILE 625 1HG ILE 625 2.213 3.018 0.326 317 HG23 ILE 625 2HG ILE 625 -0.325 5.533 -0.954 318 HD11 ILE 625 1HD ILE 625 0.934 2.196 -1.670 319 H ASN 626 H ASN 626 -1.028 4.561 3.077 320 HA ASN 626 HA ASN 626 0.579 2.782 4.789 321 HB2 ASN 626 2HB ASN 626 0.354 4.991 5.881 322 HB3 ASN 626 1HB ASN 626 -1.398 4.864 5.750 323 HD21 ASN 626 2HD ASN 626 -1.295 3.706 9.011 324 H VAL 627 H VAL 627 -0.603 1.070 5.726 325 HA VAL 627 HA VAL 627 -3.067 0.379 4.370 326 HB VAL 627 HB VAL 627 -1.512 -1.088 6.526 327 HG13 VAL 627 1HG VAL 627 -3.054 -2.975 6.117 328 HG21 VAL 627 2HG VAL 627 -0.438 -1.079 4.355 329 H CYS 628 H CYS 628 -4.802 1.299 4.973 330 HA CYS 628 HA CYS 628 -6.616 1.700 6.203 331 HB2 CYS 628 2HB CYS 628 -6.229 -0.344 7.430 332 HB3 CYS 628 1HB CYS 628 -4.962 0.402 8.379 333 H GLY 629 H GLY 629 -7.330 3.462 7.172 334 HA2 GLY 629 2HA GLY 629 -7.395 5.499 8.314 335 HA3 GLY 629 1HA GLY 629 -5.871 5.090 9.069 336 HA PRO 630 HA PRO 630 -4.762 8.319 6.104 337 HB2 PRO 630 2HB PRO 630 -3.672 9.978 7.834 338 HB3 PRO 630 1HB PRO 630 -5.416 9.944 7.568 339 HG2 PRO 630 2HG PRO 630 -3.800 8.682 9.791 340 HG3 PRO 630 1HG PRO 630 -5.363 9.544 9.918 341 HD2 PRO 630 2HD PRO 630 -4.955 6.838 9.894 342 HD3 PRO 630 1HD PRO 630 -6.472 7.630 9.426 343 H VAL 631 H VAL 631 -2.605 9.209 5.740 344 HA VAL 631 HA VAL 631 -0.503 7.446 6.706 345 HB VAL 631 HB VAL 631 -0.928 7.559 4.241 346 HG13 VAL 631 1HG VAL 631 -0.012 10.395 4.341 347 HG21 VAL 631 2HG VAL 631 1.748 8.378 5.252 348 H SER 632 H SER 632 1.087 8.346 7.927 349 HA SER 632 HA SER 632 0.701 11.161 8.487 350 HB2 SER 632 2HB SER 632 0.509 9.762 10.432 351 HB3 SER 632 1HB SER 632 2.087 9.029 10.128 352 HG SER 632 HG SER 632 3.021 10.677 11.004 353 H VAL 633 H VAL 633 1.706 11.722 6.553 354 HA VAL 633 HA VAL 633 4.642 11.817 6.901 355 HB VAL 633 HB VAL 633 3.232 12.066 4.229 356 HG13 VAL 633 1HG VAL 633 6.086 11.467 4.917 357 HG21 VAL 633 2HG VAL 633 3.864 9.753 3.746 358 H GLY 634 H GLY 634 5.567 13.872 6.664 359 HA2 GLY 634 2HA GLY 634 3.668 16.063 6.786 360 HA3 GLY 634 1HA GLY 634 5.388 16.164 7.115 361 H ALA 635 H ALA 635 4.394 14.543 4.288 362 HA ALA 635 HA ALA 635 5.248 16.855 2.677 363 HB1 ALA 635 1HB ALA 635 6.759 14.929 2.486 364 HB2 ALA 635 2HB ALA 635 5.945 15.255 0.956 365 HB3 ALA 635 3HB ALA 635 5.410 13.918 1.974 366 H CYS 636 H CYS 636 2.616 15.084 3.608 367 HA CYS 636 HA CYS 636 1.052 16.083 1.417 368 HB2 CYS 636 2HB CYS 636 -0.042 13.864 1.138 369 HB3 CYS 636 1HB CYS 636 1.649 13.880 0.650 370 HA PRO 637 HA PRO 637 -1.809 16.972 4.624 371 HB2 PRO 637 2HB PRO 637 -4.232 16.269 3.590 372 HB3 PRO 637 1HB PRO 637 -3.356 17.732 3.131 373 HG2 PRO 637 2HG PRO 637 -3.471 15.084 1.733 374 HG3 PRO 637 1HG PRO 637 -3.586 16.713 1.042 375 HD2 PRO 637 2HD PRO 637 -1.334 15.320 0.916 376 HD3 PRO 637 1HD PRO 637 -1.307 17.074 1.195 377 HA PRO 638 HA PRO 638 -2.323 13.338 7.135 378 HB2 PRO 638 2HB PRO 638 -3.914 14.424 9.052 379 HB3 PRO 638 1HB PRO 638 -2.177 14.729 8.941 380 HG2 PRO 638 2HG PRO 638 -4.459 16.414 7.993 381 HG3 PRO 638 1HG PRO 638 -2.988 16.910 8.851 382 HD2 PRO 638 2HD PRO 638 -3.259 17.215 6.194 383 HD3 PRO 638 1HD PRO 638 -1.691 16.816 6.924 384 H ASP 639 H ASP 639 -4.941 14.868 5.533 385 HA ASP 639 HA ASP 639 -6.917 13.012 6.534 386 HB2 ASP 639 2HB ASP 639 -8.501 14.069 5.034 387 HB3 ASP 639 1HB ASP 639 -7.640 15.302 5.960 388 H SER 640 H SER 640 -4.461 12.709 4.411 389 HA SER 640 HA SER 640 -6.007 10.887 2.746 390 HB2 SER 640 2HB SER 640 -4.130 10.977 1.109 391 HB3 SER 640 1HB SER 640 -4.886 12.541 1.371 392 HG SER 640 HG SER 640 -2.953 12.617 3.066 393 H GLY 641 H GLY 641 -5.392 8.796 2.447 394 HA2 GLY 641 2HA GLY 641 -3.540 7.752 4.488 395 HA3 GLY 641 1HA GLY 641 -4.775 6.809 3.666 396 H ALA 642 H ALA 642 -3.748 8.472 1.259 397 HA ALA 642 HA ALA 642 -1.213 7.155 0.712 398 HB1 ALA 642 1HB ALA 642 -2.826 5.558 -0.147 399 HB2 ALA 642 2HB ALA 642 -2.064 6.395 -1.487 400 HB3 ALA 642 3HB ALA 642 -3.694 6.852 -1.000 401 H CYS 643 H CYS 643 0.094 8.594 -0.144 402 HA CYS 643 HA CYS 643 -1.056 10.789 -1.660 403 HB2 CYS 643 2HB CYS 643 0.276 12.389 -0.402 404 HB3 CYS 643 1HB CYS 643 -0.902 11.574 0.622 405 H GLN 644 H GLN 644 0.168 11.360 -3.363 406 HA GLN 644 HA GLN 644 2.852 10.176 -3.530 407 HB2 GLN 644 2HB GLN 644 2.764 10.681 -5.839 408 HB3 GLN 644 1HB GLN 644 1.526 9.461 -5.465 409 HG2 GLN 644 2HG GLN 644 -0.079 11.483 -5.476 410 HG3 GLN 644 1HG GLN 644 1.293 12.385 -6.083 411 HE21 GLN 644 2HE GLN 644 0.025 11.699 -9.262 412 H VAL 645 H VAL 645 4.563 11.481 -4.045 413 HA VAL 645 HA VAL 645 3.994 14.279 -4.413 414 HB VAL 645 HB VAL 645 4.443 14.101 -1.988 415 HG13 VAL 645 1HG VAL 645 7.090 12.935 -2.725 416 HG21 VAL 645 2HG VAL 645 5.181 16.139 -3.098 417 H SER 646 H SER 646 5.221 15.255 -5.782 418 HA SER 646 HA SER 646 6.963 13.629 -7.409 419 HB2 SER 646 2HB SER 646 5.385 15.200 -8.454 420 HB3 SER 646 1HB SER 646 6.169 16.541 -7.619 421 HG SER 646 HG SER 646 6.742 15.716 -9.952 422 H ARG 647 H ARG 647 9.076 13.445 -6.931 423 HA ARG 647 HA ARG 647 10.259 15.200 -5.018 424 HB2 ARG 647 2HB ARG 647 12.310 13.863 -5.324 425 HB3 ARG 647 1HB ARG 647 10.909 12.831 -5.126 426 HG2 ARG 647 2HG ARG 647 10.895 12.736 -7.688 427 HG3 ARG 647 1HG ARG 647 12.550 13.334 -7.562 428 HD2 ARG 647 2HD ARG 647 11.430 10.880 -6.244 429 HD3 ARG 647 1HD ARG 647 12.459 10.846 -7.654 430 HE ARG 647 HE ARG 647 14.076 12.049 -5.964 431 HH12 ARG 647 1HH ARG 647 12.820 8.655 -4.095 432 HH21 ARG 647 2HH ARG 647 14.812 9.769 -3.385 433 H SER 648 H SER 648 9.910 15.138 -8.370 434 HA SER 648 HA SER 648 11.933 17.061 -8.964 435 HB2 SER 648 2HB SER 648 9.720 15.799 -10.517 436 HB3 SER 648 1HB SER 648 10.824 16.907 -11.293 437 HG SER 648 HG SER 648 12.362 15.309 -10.012 438 H ASP 649 H ASP 649 8.368 17.152 -8.706 439 HA ASP 649 HA ASP 649 8.450 20.021 -9.284 440 HB2 ASP 649 2HB ASP 649 6.880 18.602 -10.565 441 HB3 ASP 649 1HB ASP 649 6.102 18.156 -9.056 442 H ARG 650 H ARG 650 8.083 17.979 -6.664 443 HA ARG 650 HA ARG 650 7.786 18.222 -4.449 444 HB2 ARG 650 2HB ARG 650 8.326 21.115 -5.031 445 HB3 ARG 650 1HB ARG 650 7.961 20.558 -3.410 446 HG2 ARG 650 2HG ARG 650 10.327 20.734 -3.627 447 HG3 ARG 650 1HG ARG 650 9.913 19.022 -3.571 448 HD2 ARG 650 2HD ARG 650 11.607 19.390 -5.261 449 HD3 ARG 650 1HD ARG 650 10.085 18.956 -6.025 450 HE ARG 650 HE ARG 650 9.752 21.268 -6.551 451 HH12 ARG 650 1HH ARG 650 13.776 21.663 -6.433 452 HH21 ARG 650 2HH ARG 650 12.509 23.150 -7.669 453 H LYS 651 H LYS 651 5.471 18.579 -6.315 454 HA LYS 651 HA LYS 651 3.697 19.488 -4.221 455 HB2 LYS 651 2HB LYS 651 3.109 18.799 -7.074 456 HB3 LYS 651 1HB LYS 651 1.906 19.269 -5.880 457 HG2 LYS 651 2HG LYS 651 3.295 21.365 -5.580 458 HG3 LYS 651 1HG LYS 651 4.151 20.858 -7.000 459 HD2 LYS 651 2HD LYS 651 2.353 22.396 -7.708 460 HD3 LYS 651 1HD LYS 651 2.149 20.755 -8.345 461 HE2 LYS 651 2HE LYS 651 0.468 20.289 -6.626 462 HE3 LYS 651 1HE LYS 651 0.705 21.907 -5.960 463 HZ1 LYS 651 3HZ LYS 651 -0.106 22.810 -8.052 464 HZ2 LYS 651 1HZ LYS 651 -1.237 21.782 -7.337 465 HZ3 LYS 651 2HZ LYS 651 -0.349 21.244 -8.654 466 H SER 652 H SER 652 1.838 18.206 -3.750 467 HA SER 652 HA SER 652 2.231 15.390 -4.245 468 HB2 SER 652 2HB SER 652 1.721 14.852 -1.919 469 HB3 SER 652 1HB SER 652 3.236 15.699 -2.112 470 HG SER 652 HG SER 652 2.382 16.820 -0.527 471 H TRP 653 H TRP 653 0.400 14.168 -4.125 472 HA TRP 653 HA TRP 653 -2.057 15.753 -4.283 473 HB2 TRP 653 2HB TRP 653 -1.167 13.521 -6.114 474 HB3 TRP 653 1HB TRP 653 -2.768 14.241 -6.155 475 HD1 TRP 653 HD TRP 653 -2.990 16.642 -7.301 476 HE1 TRP 653 1HE TRP 653 -1.419 18.051 -8.756 477 HE3 TRP 653 3HE TRP 653 1.376 14.145 -6.439 478 HZ2 TRP 653 2HZ TRP 653 1.330 18.095 -9.458 479 HZ3 TRP 653 3HZ TRP 653 3.413 14.896 -7.509 480 HH2 TRP 653 HH TRP 653 3.412 16.858 -9.008 481 H ASN 654 H ASN 654 -4.015 14.475 -3.989 482 HA ASN 654 HA ASN 654 -3.668 12.650 -1.720 483 HB2 ASN 654 2HB ASN 654 -5.320 14.736 -1.776 484 HB3 ASN 654 1HB ASN 654 -6.186 13.752 -2.888 485 HD21 ASN 654 2HD ASN 654 -7.404 13.392 0.635 486 H LEU 655 H LEU 655 -3.834 10.489 -2.093 487 HA LEU 655 HA LEU 655 -5.029 9.622 -4.637 488 HB2 LEU 655 2HB LEU 655 -3.152 8.113 -2.839 489 HB3 LEU 655 1HB LEU 655 -3.633 7.690 -4.465 490 HG LEU 655 HG LEU 655 -1.829 9.923 -3.607 491 HD13 LEU 655 1HD LEU 655 -0.215 8.780 -4.985 492 HD21 LEU 655 2HD LEU 655 -2.929 9.320 -6.338 493 H GLY 656 H GLY 656 -6.173 10.146 -1.826 494 HA2 GLY 656 2HA GLY 656 -8.344 8.741 -1.691 495 HA3 GLY 656 1HA GLY 656 -7.181 7.487 -1.255 496 H ARG 657 H ARG 657 -9.277 9.605 0.028 497 HA ARG 657 HA ARG 657 -7.743 10.703 2.108 498 HB2 ARG 657 2HB ARG 657 -10.720 10.189 2.257 499 HB3 ARG 657 1HB ARG 657 -9.767 11.433 3.045 500 HG2 ARG 657 2HG ARG 657 -9.377 12.499 0.861 501 HG3 ARG 657 1HG ARG 657 -10.419 11.286 0.113 502 HD2 ARG 657 2HD ARG 657 -12.183 12.034 1.814 503 HD3 ARG 657 1HD ARG 657 -11.159 13.443 2.072 504 HE ARG 657 HE ARG 657 -12.254 12.689 -0.556 505 HH12 ARG 657 1HH ARG 657 -12.306 16.463 0.895 506 HH21 ARG 657 2HH ARG 657 -13.297 15.947 -1.186 507 H SER 658 H SER 658 -8.301 10.128 4.457 508 HA SER 658 HA SER 658 -7.401 7.577 4.998 509 HB2 SER 658 2HB SER 658 -8.155 8.139 7.339 510 HB3 SER 658 1HB SER 658 -7.026 9.267 6.575 511 HG SER 658 HG SER 658 -8.576 10.508 7.420 512 H ASN 659 H ASN 659 -8.309 5.662 5.112 513 HA ASN 659 HA ASN 659 -11.115 5.299 5.692 514 HB2 ASN 659 2HB ASN 659 -10.910 5.897 3.270 515 HB3 ASN 659 1HB ASN 659 -9.924 4.456 3.055 516 HD21 ASN 659 2HD ASN 659 -12.841 2.857 2.186 517 H ALA 660 H ALA 660 -11.496 2.854 5.902 518 HA ALA 660 HA ALA 660 -8.994 1.365 5.913 519 HB1 ALA 660 1HB ALA 660 -9.438 0.456 8.102 520 HB2 ALA 660 2HB ALA 660 -10.936 1.391 8.230 521 HB3 ALA 660 3HB ALA 660 -9.373 2.206 8.187 522 H LYS 661 H LYS 661 -11.603 1.629 4.410 523 HA LYS 661 HA LYS 661 -13.026 -0.768 4.898 524 HB2 LYS 661 2HB LYS 661 -13.040 0.969 2.414 525 HB3 LYS 661 1HB LYS 661 -14.169 -0.327 2.781 526 HG2 LYS 661 2HG LYS 661 -13.858 2.206 4.346 527 HG3 LYS 661 1HG LYS 661 -15.163 1.810 3.222 528 HD2 LYS 661 2HD LYS 661 -15.595 -0.237 4.703 529 HD3 LYS 661 1HD LYS 661 -14.416 0.566 5.780 530 HE2 LYS 661 2HE LYS 661 -16.826 1.972 4.795 531 HE3 LYS 661 1HE LYS 661 -16.899 0.957 6.237 532 HZ1 LYS 661 3HZ LYS 661 -16.493 3.296 6.738 533 HZ2 LYS 661 1HZ LYS 661 -15.011 3.261 5.921 534 HZ3 LYS 661 2HZ LYS 661 -15.311 2.297 7.299 535 H LEU 662 H LEU 662 -11.848 -2.499 4.859 536 HA LEU 662 HA LEU 662 -10.090 -3.047 2.642 537 HB2 LEU 662 2HB LEU 662 -10.910 -4.760 4.971 538 HB3 LEU 662 1HB LEU 662 -9.731 -5.248 3.757 539 HG LEU 662 HG LEU 662 -9.522 -3.154 5.898 540 HD13 LEU 662 1HD LEU 662 -7.956 -5.615 5.234 541 HD21 LEU 662 2HD LEU 662 -7.619 -3.672 3.620 542 H SER 663 H SER 663 -10.523 -4.304 0.996 543 HA SER 663 HA SER 663 -13.245 -5.373 0.824 544 HB2 SER 663 2HB SER 663 -11.528 -4.138 -1.330 545 HB3 SER 663 1HB SER 663 -13.167 -4.746 -1.540 546 HG SER 663 HG SER 663 -13.111 -3.037 0.513 547 H TYR 664 H TYR 664 -13.245 -7.513 0.413 548 HA TYR 664 HA TYR 664 -10.694 -8.654 -0.537 549 HB2 TYR 664 2HB TYR 664 -11.772 -9.402 1.775 550 HB3 TYR 664 1HB TYR 664 -12.947 -10.142 0.718 551 HD1 TYR 664 2HD TYR 664 -11.070 -11.208 -1.429 552 HD2 TYR 664 1HD TYR 664 -10.908 -11.322 2.809 553 HE1 TYR 664 2HE TYR 664 -9.766 -13.292 -1.539 554 HE2 TYR 664 1HE TYR 664 -9.619 -13.384 2.711 555 HH TYR 664 HH TYR 664 -8.105 -14.488 -0.026 556 H TYR 665 H TYR 665 -10.815 -9.154 -2.570 557 HA TYR 665 HA TYR 665 -13.371 -9.932 -3.718 558 HB2 TYR 665 2HB TYR 665 -10.812 -8.966 -4.993 559 HB3 TYR 665 1HB TYR 665 -12.152 -9.651 -5.902 560 HD1 TYR 665 1HD TYR 665 -14.435 -8.565 -5.515 561 HD2 TYR 665 2HD TYR 665 -10.744 -6.681 -4.627 562 HE1 TYR 665 1HE TYR 665 -15.527 -6.443 -5.648 563 HE2 TYR 665 2HE TYR 665 -11.823 -4.487 -4.756 564 HH TYR 665 HH TYR 665 -13.786 -3.538 -5.859 565 H ASP 666 H ASP 666 -13.440 -11.986 -4.599 566 HA ASP 666 HA ASP 666 -12.019 -14.020 -3.527 567 HB2 ASP 666 2HB ASP 666 -12.676 -15.395 -5.522 568 HB3 ASP 666 1HB ASP 666 -13.999 -14.509 -4.772 569 H GLY 667 H GLY 667 -10.057 -14.664 -3.548 570 HA2 GLY 667 2HA GLY 667 -8.128 -15.400 -4.833 571 HA3 GLY 667 1HA GLY 667 -8.361 -13.985 -5.849 572 H MET 668 H MET 668 -8.510 -11.858 -4.195 573 HA MET 668 HA MET 668 -6.124 -12.037 -2.476 574 HB2 MET 668 2HB MET 668 -6.356 -9.854 -4.563 575 HB3 MET 668 1HB MET 668 -5.047 -10.130 -3.433 576 HG2 MET 668 2HG MET 668 -4.259 -10.804 -5.543 577 HG3 MET 668 1HG MET 668 -4.609 -12.294 -4.671 578 HE1 MET 668 3HE MET 668 -4.147 -12.187 -7.809 579 HE2 MET 668 1HE MET 668 -5.444 -13.238 -8.381 580 HE3 MET 668 2HE MET 668 -4.533 -13.667 -6.934 581 H ILE 669 H ILE 669 -6.085 -10.609 -0.822 582 HA ILE 669 HA ILE 669 -8.442 -9.100 -0.204 583 HB ILE 669 HB ILE 669 -5.704 -9.019 1.166 584 HG12 ILE 669 1HG ILE 669 -6.908 -10.276 3.051 585 HG23 ILE 669 2HG ILE 669 -6.884 -6.969 1.594 586 HD11 ILE 669 1HD ILE 669 -6.768 -12.477 2.106 587 H GLN 670 H GLN 670 -8.720 -6.873 -0.446 588 HA GLN 670 HA GLN 670 -6.520 -5.398 -1.585 589 HB2 GLN 670 2HB GLN 670 -9.245 -5.826 -2.801 590 HB3 GLN 670 1HB GLN 670 -8.272 -4.412 -3.208 591 HG2 GLN 670 2HG GLN 670 -6.619 -5.662 -4.228 592 HG3 GLN 670 1HG GLN 670 -7.085 -7.168 -3.427 593 HE21 GLN 670 2HE GLN 670 -9.283 -8.059 -5.956 594 H LEU 671 H LEU 671 -6.784 -3.106 -1.403 595 HA LEU 671 HA LEU 671 -8.546 -2.390 0.873 596 HB2 LEU 671 2HB LEU 671 -5.927 -2.481 1.132 597 HB3 LEU 671 1HB LEU 671 -5.956 -0.983 0.229 598 HG LEU 671 HG LEU 671 -7.065 -1.546 2.962 599 HD13 LEU 671 1HD LEU 671 -5.507 0.117 3.723 600 HD21 LEU 671 2HD LEU 671 -7.727 0.798 3.120 601 H THR 672 H THR 672 -10.009 -0.838 0.329 602 HA THR 672 HA THR 672 -9.620 0.559 -2.213 603 HB THR 672 HB THR 672 -12.154 0.098 -0.607 604 HG1 THR 672 1HG THR 672 -12.208 -1.788 -1.520 605 HG21 THR 672 2HG THR 672 -11.743 1.048 -3.459 606 H TYR 673 H TYR 673 -9.006 2.659 -1.989 607 HA TYR 673 HA TYR 673 -9.793 4.010 0.451 608 HB2 TYR 673 2HB TYR 673 -7.605 4.503 -1.434 609 HB3 TYR 673 1HB TYR 673 -8.192 5.887 -0.493 610 HD1 TYR 673 1HD TYR 673 -8.383 5.498 2.022 611 HD2 TYR 673 2HD TYR 673 -5.968 3.083 -0.501 612 HE1 TYR 673 1HE TYR 673 -7.119 4.777 3.966 613 HE2 TYR 673 2HE TYR 673 -4.669 2.342 1.471 614 HH TYR 673 HH TYR 673 -4.191 3.212 3.875 615 H ARG 674 H ARG 674 -9.974 6.490 0.146 616 HA ARG 674 HA ARG 674 -12.562 6.764 -1.067 617 HB2 ARG 674 2HB ARG 674 -10.891 8.765 0.436 618 HB3 ARG 674 1HB ARG 674 -12.554 9.003 -0.077 619 HG2 ARG 674 2HG ARG 674 -11.582 6.894 1.824 620 HG3 ARG 674 1HG ARG 674 -12.384 8.394 2.309 621 HD2 ARG 674 2HD ARG 674 -13.562 6.149 0.653 622 HD3 ARG 674 1HD ARG 674 -13.965 6.545 2.320 623 HE ARG 674 HE ARG 674 -14.460 8.842 1.070 624 HH12 ARG 674 1HH ARG 674 -17.031 6.104 -0.335 625 HH21 ARG 674 2HH ARG 674 -17.486 8.248 -0.554 626 H ASP 675 H ASP 675 -12.981 9.042 -1.969 627 HA ASP 675 HA ASP 675 -12.200 9.171 -4.607 628 HB2 ASP 675 2HB ASP 675 -13.385 11.302 -4.624 629 HB3 ASP 675 1HB ASP 675 -14.268 10.128 -3.659 630 H GLY 676 H GLY 676 -11.035 10.935 -1.884 631 HA2 GLY 676 2HA GLY 676 -9.021 12.102 -1.474 632 HA3 GLY 676 1HA GLY 676 -8.379 11.271 -2.882 633 H THR 677 H THR 677 -7.571 12.685 -4.249 634 HA THR 677 HA THR 677 -9.147 15.045 -4.831 635 HB THR 677 HB THR 677 -6.137 14.838 -4.589 636 HG1 THR 677 1HG THR 677 -8.180 15.853 -3.019 637 HG21 THR 677 2HG THR 677 -6.711 16.209 -6.554 638 HA PRO 678 HA PRO 678 -9.066 12.879 -8.767 639 HB2 PRO 678 2HB PRO 678 -10.229 14.684 -10.360 640 HB3 PRO 678 1HB PRO 678 -11.101 13.752 -9.186 641 HG2 PRO 678 2HG PRO 678 -10.108 16.528 -8.907 642 HG3 PRO 678 1HG PRO 678 -11.701 15.829 -8.520 643 HD2 PRO 678 2HD PRO 678 -9.839 16.214 -6.558 644 HD3 PRO 678 1HD PRO 678 -10.946 14.822 -6.540 645 H TYR 679 H TYR 679 -8.128 12.858 -10.747 646 HA TYR 679 HA TYR 679 -5.479 13.838 -10.972 647 HB2 TYR 679 2HB TYR 679 -7.251 12.880 -13.198 648 HB3 TYR 679 1HB TYR 679 -5.493 12.957 -13.214 649 HD1 TYR 679 2HD TYR 679 -4.251 11.541 -11.767 650 HD2 TYR 679 1HD TYR 679 -8.360 11.161 -12.226 651 HE1 TYR 679 2HE TYR 679 -4.108 9.200 -10.821 652 HE2 TYR 679 1HE TYR 679 -8.359 8.904 -11.328 653 HH TYR 679 HH TYR 679 -6.669 7.030 -11.035 654 H ASN 680 H ASN 680 -8.390 15.307 -11.664 655 HA ASN 680 HA ASN 680 -9.021 17.268 -12.529 656 HB2 ASN 680 2HB ASN 680 -6.067 17.837 -12.822 657 HB3 ASN 680 1HB ASN 680 -7.330 19.008 -13.193 658 HD21 ASN 680 2HD ASN 680 -6.402 18.021 -9.390 659 H ASN 681 H ASN 681 -9.808 15.811 -13.885 660 HA ASN 681 HA ASN 681 -8.911 16.184 -16.686 661 HB2 ASN 681 2HB ASN 681 -10.903 14.120 -15.695 662 HB3 ASN 681 1HB ASN 681 -10.203 14.251 -17.292 663 HD21 ASN 681 2HD ASN 681 -8.767 11.505 -15.261 664 H GLU 682 H GLU 682 -10.982 16.104 -18.091 665 HA GLU 682 HA GLU 682 -12.774 18.124 -17.286 666 HB2 GLU 682 2HB GLU 682 -12.198 17.649 -19.623 667 HB3 GLU 682 1HB GLU 682 -12.921 16.058 -19.490 668 HG2 GLU 682 2HG GLU 682 -15.102 17.123 -19.125 669 HG3 GLU 682 1HG GLU 682 -14.342 18.699 -19.349 670 H LYS 683 H LYS 683 -12.644 14.646 -16.979 671 HA LYS 683 HA LYS 683 -15.437 14.415 -16.263 672 HB2 LYS 683 2HB LYS 683 -14.248 12.723 -17.624 673 HB3 LYS 683 1HB LYS 683 -13.233 12.358 -16.243 674 HG2 LYS 683 2HG LYS 683 -15.149 11.538 -15.016 675 HG3 LYS 683 1HG LYS 683 -16.220 12.012 -16.338 676 HD2 LYS 683 2HD LYS 683 -15.074 10.538 -17.831 677 HD3 LYS 683 1HD LYS 683 -13.967 10.037 -16.547 678 HE2 LYS 683 2HE LYS 683 -15.876 9.111 -15.300 679 HE3 LYS 683 1HE LYS 683 -16.960 9.631 -16.586 680 HZ1 LYS 683 3HZ LYS 683 -15.864 8.164 -18.096 681 HZ2 LYS 683 1HZ LYS 683 -16.380 7.277 -16.761 682 HZ3 LYS 683 2HZ LYS 683 -14.738 7.698 -16.957 683 H ARG 684 H ARG 684 -12.739 15.458 -14.719 684 HA ARG 684 HA ARG 684 -12.014 15.732 -12.523 685 HB2 ARG 684 2HB ARG 684 -14.991 15.491 -11.995 686 HB3 ARG 684 1HB ARG 684 -13.814 16.175 -10.887 687 HG2 ARG 684 2HG ARG 684 -14.603 17.291 -13.580 688 HG3 ARG 684 1HG ARG 684 -15.072 17.922 -12.002 689 HD2 ARG 684 2HD ARG 684 -12.270 17.816 -13.140 690 HD3 ARG 684 1HD ARG 684 -13.279 19.245 -12.957 691 HE ARG 684 HE ARG 684 -13.097 18.188 -10.441 692 HH12 ARG 684 1HH ARG 684 -9.630 19.903 -11.684 693 HH21 ARG 684 2HH ARG 684 -10.037 19.535 -9.355 694 H THR 685 H THR 685 -11.597 13.187 -13.267 695 HA THR 685 HA THR 685 -12.867 11.145 -11.783 696 HB THR 685 HB THR 685 -10.143 11.084 -13.096 697 HG1 THR 685 1HG THR 685 -12.776 10.537 -14.032 698 HG21 THR 685 2HG THR 685 -10.547 9.279 -11.576 699 HA PRO 686 HA PRO 686 -10.690 11.989 -7.882 700 HB2 PRO 686 2HB PRO 686 -11.736 9.794 -6.601 701 HB3 PRO 686 1HB PRO 686 -12.514 11.358 -6.623 702 HG2 PRO 686 2HG PRO 686 -13.073 8.920 -8.245 703 HG3 PRO 686 1HG PRO 686 -14.197 10.162 -7.671 704 HD2 PRO 686 2HD PRO 686 -13.362 9.981 -10.231 705 HD3 PRO 686 1HD PRO 686 -13.794 11.528 -9.474 706 H ARG 687 H ARG 687 -8.843 11.220 -6.994 707 HA ARG 687 HA ARG 687 -7.568 8.913 -8.219 708 HB2 ARG 687 2HB ARG 687 -6.640 11.017 -6.291 709 HB3 ARG 687 1HB ARG 687 -5.677 9.601 -6.660 710 HG2 ARG 687 2HG ARG 687 -5.561 10.276 -8.982 711 HG3 ARG 687 1HG ARG 687 -6.597 11.664 -8.639 712 HD2 ARG 687 2HD ARG 687 -4.963 12.648 -7.229 713 HD3 ARG 687 1HD ARG 687 -3.993 11.181 -7.228 714 HE ARG 687 HE ARG 687 -3.446 11.614 -9.527 715 HH12 ARG 687 1HH ARG 687 -4.145 15.524 -8.845 716 HH21 ARG 687 2HH ARG 687 -2.524 14.869 -10.405 717 H ALA 688 H ALA 688 -7.705 6.938 -7.317 718 HA ALA 688 HA ALA 688 -8.033 6.878 -4.407 719 HB1 ALA 688 1HB ALA 688 -9.386 5.060 -6.408 720 HB2 ALA 688 2HB ALA 688 -10.177 6.331 -5.475 721 HB3 ALA 688 3HB ALA 688 -9.496 4.928 -4.653 722 H THR 689 H THR 689 -7.228 4.888 -3.490 723 HA THR 689 HA THR 689 -5.147 3.676 -5.147 724 HB THR 689 HB THR 689 -5.147 4.188 -2.159 725 HG1 THR 689 1HG THR 689 -4.772 6.019 -3.473 726 HG21 THR 689 2HG THR 689 -3.949 2.111 -2.727 727 H LEU 690 H LEU 690 -5.205 1.506 -5.372 728 HA LEU 690 HA LEU 690 -6.966 0.004 -3.601 729 HB2 LEU 690 2HB LEU 690 -7.813 0.435 -5.987 730 HB3 LEU 690 1HB LEU 690 -6.445 -0.480 -6.547 731 HG LEU 690 HG LEU 690 -8.484 -1.808 -6.632 732 HD13 LEU 690 1HD LEU 690 -6.447 -3.024 -6.234 733 HD21 LEU 690 2HD LEU 690 -9.738 -0.728 -4.863 734 H ILE 691 H ILE 691 -5.698 -1.255 -2.475 735 HA ILE 691 HA ILE 691 -3.072 -2.002 -3.573 736 HB ILE 691 HB ILE 691 -4.035 -2.185 -0.699 737 HG12 ILE 691 1HG ILE 691 -2.199 -0.150 -1.991 738 HG23 ILE 691 2HG ILE 691 -1.677 -2.530 -0.169 739 HD11 ILE 691 1HD ILE 691 -3.235 -0.258 0.831 740 H THR 692 H THR 692 -2.786 -4.034 -4.239 741 HA THR 692 HA THR 692 -4.814 -6.042 -3.606 742 HB THR 692 HB THR 692 -2.624 -6.049 -5.642 743 HG1 THR 692 1HG THR 692 -5.407 -5.374 -6.042 744 HG21 THR 692 2HG THR 692 -5.170 -7.673 -5.439 745 H PHE 693 H PHE 693 -4.260 -7.500 -2.109 746 HA PHE 693 HA PHE 693 -1.467 -7.748 -1.296 747 HB2 PHE 693 2HB PHE 693 -4.039 -8.565 -0.020 748 HB3 PHE 693 1HB PHE 693 -2.454 -8.825 0.709 749 HD1 PHE 693 1HD PHE 693 -4.703 -6.125 -0.528 750 HD2 PHE 693 2HD PHE 693 -1.536 -7.154 2.103 751 HE1 PHE 693 1HE PHE 693 -4.877 -3.949 0.511 752 HE2 PHE 693 2HE PHE 693 -1.698 -4.950 3.156 753 HZ PHE 693 HZ PHE 693 -3.385 -3.339 2.356 754 H LEU 694 H LEU 694 -0.378 -9.535 -1.604 755 HA LEU 694 HA LEU 694 -1.734 -11.930 -2.653 756 HB2 LEU 694 2HB LEU 694 1.051 -10.884 -3.143 757 HB3 LEU 694 1HB LEU 694 0.520 -12.476 -3.611 758 HG LEU 694 HG LEU 694 0.631 -11.054 -5.484 759 HD13 LEU 694 1HD LEU 694 -2.237 -11.602 -4.753 760 HD21 LEU 694 2HD LEU 694 -1.329 -9.217 -4.114 761 H CYS 695 H CYS 695 -0.619 -13.943 -2.150 762 HA CYS 695 HA CYS 695 0.045 -14.088 0.597 763 HB2 CYS 695 2HB CYS 695 -1.177 -15.951 -0.114 764 HB3 CYS 695 1HB CYS 695 -0.197 -16.193 -1.547 765 H ASP 696 H ASP 696 1.880 -13.511 1.338 766 HA ASP 696 HA ASP 696 4.370 -14.005 -0.076 767 HB2 ASP 696 2HB ASP 696 4.248 -11.863 0.951 768 HB3 ASP 696 1HB ASP 696 3.596 -12.537 2.432 769 H ARG 697 H ARG 697 5.908 -15.450 0.682 770 HA ARG 697 HA ARG 697 4.851 -17.584 2.286 771 HB2 ARG 697 2HB ARG 697 6.458 -17.840 0.293 772 HB3 ARG 697 1HB ARG 697 7.718 -17.246 1.350 773 HG2 ARG 697 2HG ARG 697 6.125 -19.792 1.734 774 HG3 ARG 697 1HG ARG 697 7.767 -19.687 1.128 775 HD2 ARG 697 2HD ARG 697 8.471 -18.768 3.311 776 HD3 ARG 697 1HD ARG 697 6.816 -18.937 3.892 777 HE ARG 697 HE ARG 697 7.893 -21.362 2.844 778 HH12 ARG 697 1HH ARG 697 8.012 -20.677 6.838 779 HH21 ARG 697 2HH ARG 697 8.487 -22.828 5.971 780 H ASP 698 H ASP 698 7.927 -15.764 2.598 781 HA ASP 698 HA ASP 698 7.107 -14.980 5.232 782 HB2 ASP 698 2HB ASP 698 8.136 -17.225 5.593 783 HB3 ASP 698 1HB ASP 698 9.651 -16.582 4.967 784 H ALA 699 H ALA 699 7.396 -12.987 5.017 785 HA ALA 699 HA ALA 699 10.108 -11.940 4.733 786 HB1 ALA 699 1HB ALA 699 9.298 -10.052 3.369 787 HB2 ALA 699 2HB ALA 699 7.700 -10.789 3.301 788 HB3 ALA 699 3HB ALA 699 9.072 -11.587 2.534 789 H GLY 700 H GLY 700 6.720 -11.423 5.554 790 HA2 GLY 700 2HA GLY 700 6.535 -11.154 8.013 791 HA3 GLY 700 1HA GLY 700 7.652 -9.811 7.791 792 H VAL 701 H VAL 701 6.888 -7.931 7.378 793 HA VAL 701 HA VAL 701 4.062 -7.646 7.352 794 HB VAL 701 HB VAL 701 5.720 -6.267 8.620 795 HG13 VAL 701 1HG VAL 701 7.377 -5.769 7.063 796 HG21 VAL 701 2HG VAL 701 3.404 -5.634 8.515 797 H GLY 702 H GLY 702 6.705 -7.298 5.064 798 HA2 GLY 702 2HA GLY 702 6.514 -7.557 2.793 799 HA3 GLY 702 1HA GLY 702 4.774 -7.362 2.934 800 H PHE 703 H PHE 703 6.629 -6.245 1.212 801 HA PHE 703 HA PHE 703 6.226 -3.343 1.619 802 HB2 PHE 703 2HB PHE 703 8.213 -4.774 -0.176 803 HB3 PHE 703 1HB PHE 703 7.962 -3.040 -0.173 804 HD1 PHE 703 1HD PHE 703 9.153 -5.895 1.869 805 HD2 PHE 703 2HD PHE 703 9.016 -1.665 1.420 806 HE1 PHE 703 1HE PHE 703 10.853 -5.657 3.627 807 HE2 PHE 703 2HE PHE 703 10.719 -1.420 3.177 808 HZ PHE 703 HZ PHE 703 11.639 -3.419 4.286 809 HA PRO 704 HA PRO 704 3.419 -3.616 -1.900 810 HB2 PRO 704 2HB PRO 704 2.850 -1.012 -2.160 811 HB3 PRO 704 1HB PRO 704 2.255 -1.950 -0.784 812 HG2 PRO 704 2HG PRO 704 4.555 -0.047 -0.918 813 HG3 PRO 704 1HG PRO 704 3.355 -0.266 0.363 814 HD2 PRO 704 2HD PRO 704 5.895 -1.337 0.447 815 HD3 PRO 704 1HD PRO 704 4.500 -1.984 1.314 816 H GLU 705 H GLU 705 3.562 -3.432 -4.083 817 HA GLU 705 HA GLU 705 5.883 -2.020 -5.264 818 HB2 GLU 705 2HB GLU 705 5.650 -4.579 -5.557 819 HB3 GLU 705 1HB GLU 705 4.196 -4.199 -6.419 820 HG2 GLU 705 2HG GLU 705 6.041 -4.629 -7.952 821 HG3 GLU 705 1HG GLU 705 5.350 -3.015 -8.124 822 H TYR 706 H TYR 706 5.450 -0.633 -7.028 823 HA TYR 706 HA TYR 706 2.608 -0.038 -7.427 824 HB2 TYR 706 2HB TYR 706 3.846 1.920 -6.756 825 HB3 TYR 706 1HB TYR 706 5.000 1.731 -8.061 826 HD1 TYR 706 2HD TYR 706 1.296 2.080 -7.541 827 HD2 TYR 706 1HD TYR 706 4.673 2.952 -9.987 828 HE1 TYR 706 2HE TYR 706 -0.101 3.457 -8.961 829 HE2 TYR 706 1HE TYR 706 3.282 4.342 -11.408 830 HH TYR 706 HH TYR 706 0.239 5.391 -10.524 831 H GLN 707 H GLN 707 1.634 -0.836 -9.072 832 HA GLN 707 HA GLN 707 3.104 -1.838 -11.314 833 HB2 GLN 707 2HB GLN 707 0.175 -1.726 -10.649 834 HB3 GLN 707 1HB GLN 707 0.677 -2.231 -12.241 835 HG2 GLN 707 2HG GLN 707 0.186 -4.113 -10.796 836 HG3 GLN 707 1HG GLN 707 1.885 -4.125 -11.256 837 HE21 GLN 707 2HE GLN 707 0.777 -3.791 -7.428 838 H GLU 708 H GLU 708 0.202 0.036 -11.679 839 HA GLU 708 HA GLU 708 1.254 2.469 -12.540 840 HB2 GLU 708 2HB GLU 708 0.593 0.505 -14.734 841 HB3 GLU 708 1HB GLU 708 0.241 2.202 -14.959 842 HG2 GLU 708 2HG GLU 708 2.985 1.076 -14.391 843 HG3 GLU 708 1HG GLU 708 2.377 1.496 -15.993 844 H GLU 709 H GLU 709 -0.276 3.873 -12.394 845 HA GLU 709 HA GLU 709 -2.971 3.069 -11.885 846 HB2 GLU 709 2HB GLU 709 -1.888 5.011 -10.814 847 HB3 GLU 709 1HB GLU 709 -1.784 5.828 -12.363 848 HG2 GLU 709 2HG GLU 709 -4.344 5.089 -10.937 849 HG3 GLU 709 1HG GLU 709 -3.575 6.663 -10.853 850 H ASP 710 H ASP 710 -4.593 3.045 -13.265 851 HA ASP 710 HA ASP 710 -4.467 4.028 -15.981 852 HB2 ASP 710 2HB ASP 710 -3.137 2.006 -16.229 853 HB3 ASP 710 1HB ASP 710 -4.336 1.070 -15.354 854 H ASN 711 H ASN 711 -5.859 1.643 -13.907 855 HA ASN 711 HA ASN 711 -8.539 1.927 -14.887 856 HB2 ASN 711 2HB ASN 711 -8.940 0.180 -13.080 857 HB3 ASN 711 1HB ASN 711 -7.826 -0.262 -14.369 858 HD21 ASN 711 2HD ASN 711 -6.506 0.020 -10.584 859 H SER 712 H SER 712 -7.555 4.360 -13.731 860 HA SER 712 HA SER 712 -8.225 6.096 -12.574 861 HB2 SER 712 2HB SER 712 -10.549 6.274 -11.717 862 HB3 SER 712 1HB SER 712 -10.482 5.637 -13.356 863 HG SER 712 HG SER 712 -10.443 3.515 -11.987 864 H THR 713 H THR 713 -7.264 3.504 -11.059 865 HA THR 713 HA THR 713 -6.962 4.945 -8.636 866 HB THR 713 HB THR 713 -8.964 3.673 -8.104 867 HG1 THR 713 1HG THR 713 -7.034 3.673 -6.650 868 HG21 THR 713 2HG THR 713 -9.045 1.242 -8.178 869 H TYR 714 H TYR 714 -5.166 4.320 -7.521 870 HA TYR 714 HA TYR 714 -3.078 3.228 -9.166 871 HB2 TYR 714 2HB TYR 714 -3.042 4.199 -6.304 872 HB3 TYR 714 1HB TYR 714 -1.626 3.795 -7.256 873 HD1 TYR 714 1HD TYR 714 -4.450 6.152 -6.949 874 HD2 TYR 714 2HD TYR 714 -0.668 5.396 -8.731 875 HE1 TYR 714 1HE TYR 714 -4.347 8.472 -7.702 876 HE2 TYR 714 2HE TYR 714 -0.560 7.724 -9.492 877 HH TYR 714 HH TYR 714 -2.530 10.048 -8.236 878 H ASN 715 H ASN 715 -2.694 1.131 -9.223 879 HA ASN 715 HA ASN 715 -3.497 -0.530 -6.961 880 HB2 ASN 715 2HB ASN 715 -2.894 -0.982 -9.761 881 HB3 ASN 715 1HB ASN 715 -2.642 -2.375 -8.718 882 HD21 ASN 715 2HD ASN 715 -6.132 -2.911 -8.260 883 H PHE 716 H PHE 716 -2.190 -1.243 -5.595 884 HA PHE 716 HA PHE 716 0.667 -1.436 -6.220 885 HB2 PHE 716 2HB PHE 716 -0.655 -0.943 -3.537 886 HB3 PHE 716 1HB PHE 716 1.046 -1.296 -3.750 887 HD1 PHE 716 1HD PHE 716 -1.580 1.203 -4.424 888 HD2 PHE 716 2HD PHE 716 2.580 0.335 -4.482 889 HE1 PHE 716 1HE PHE 716 -1.083 3.587 -4.787 890 HE2 PHE 716 2HE PHE 716 3.078 2.714 -4.843 891 HZ PHE 716 HZ PHE 716 1.257 4.334 -5.000 892 H ARG 717 H ARG 717 1.715 -3.257 -5.667 893 HA ARG 717 HA ARG 717 0.016 -5.626 -5.159 894 HB2 ARG 717 2HB ARG 717 1.325 -5.598 -7.257 895 HB3 ARG 717 1HB ARG 717 2.784 -5.349 -6.327 896 HG2 ARG 717 2HG ARG 717 2.505 -7.516 -5.308 897 HG3 ARG 717 1HG ARG 717 1.050 -7.790 -6.285 898 HD2 ARG 717 2HD ARG 717 3.847 -7.304 -7.330 899 HD3 ARG 717 1HD ARG 717 3.000 -8.848 -7.328 900 HE ARG 717 HE ARG 717 1.336 -7.248 -8.681 901 HH12 ARG 717 1HH ARG 717 4.791 -7.673 -10.734 902 HH21 ARG 717 2HH ARG 717 2.808 -7.020 -11.853 903 H TRP 718 H TRP 718 0.155 -6.365 -3.112 904 HA TRP 718 HA TRP 718 2.572 -5.642 -1.594 905 HB2 TRP 718 2HB TRP 718 0.278 -4.642 -0.985 906 HB3 TRP 718 1HB TRP 718 -0.135 -6.259 -0.454 907 HD1 TRP 718 HD TRP 718 2.089 -7.212 1.308 908 HE1 TRP 718 1HE TRP 718 2.867 -5.928 3.419 909 HE3 TRP 718 3HE TRP 718 0.307 -2.598 0.137 910 HZ2 TRP 718 2HZ TRP 718 2.717 -3.335 4.414 911 HZ3 TRP 718 3HZ TRP 718 0.648 -0.765 1.732 912 HH2 TRP 718 HH TRP 718 1.834 -1.133 3.821 913 H TYR 719 H TYR 719 3.783 -7.380 -1.115 914 HA TYR 719 HA TYR 719 2.458 -9.966 -0.978 915 HB2 TYR 719 2HB TYR 719 5.377 -9.239 -1.170 916 HB3 TYR 719 1HB TYR 719 4.820 -10.884 -0.885 917 HD1 TYR 719 2HD TYR 719 3.457 -12.030 -2.608 918 HD2 TYR 719 1HD TYR 719 5.339 -8.293 -3.351 919 HE1 TYR 719 2HE TYR 719 3.186 -12.382 -5.021 920 HE2 TYR 719 1HE TYR 719 5.065 -8.643 -5.772 921 HH TYR 719 HH TYR 719 4.816 -10.558 -7.292 922 H THR 720 H THR 720 1.596 -10.113 1.029 923 HA THR 720 HA THR 720 3.438 -9.739 3.256 924 HB THR 720 HB THR 720 1.923 -7.811 3.281 925 HG1 THR 720 1HG THR 720 2.304 -8.189 5.260 926 HG21 THR 720 2HG THR 720 -0.293 -9.854 3.487 927 H SER 721 H SER 721 3.336 -11.189 4.893 928 HA SER 721 HA SER 721 2.437 -13.764 4.321 929 HB2 SER 721 2HB SER 721 3.065 -12.575 7.030 930 HB3 SER 721 1HB SER 721 3.173 -14.271 6.558 931 HG SER 721 HG SER 721 4.787 -13.158 4.856 932 H TYR 722 H TYR 722 0.878 -10.977 5.827 933 HA TYR 722 HA TYR 722 -1.070 -12.405 7.306 934 HB2 TYR 722 2HB TYR 722 -0.929 -9.492 6.534 935 HB3 TYR 722 1HB TYR 722 -2.034 -10.207 7.692 936 HD1 TYR 722 2HD TYR 722 1.480 -9.316 7.092 937 HD2 TYR 722 1HD TYR 722 -1.319 -10.885 9.866 938 HE1 TYR 722 2HE TYR 722 3.132 -9.066 8.876 939 HE2 TYR 722 1HE TYR 722 0.326 -10.645 11.666 940 HH TYR 722 HH TYR 722 2.778 -10.559 11.856 941 H ALA 723 H ALA 723 -0.797 -11.710 4.026 942 HA ALA 723 HA ALA 723 -3.708 -11.706 3.637 943 HB1 ALA 723 1HB ALA 723 -3.203 -11.153 1.306 944 HB2 ALA 723 2HB ALA 723 -1.478 -11.298 1.642 945 HB3 ALA 723 3HB ALA 723 -2.422 -10.027 2.417 946 H CYS 724 H CYS 724 -1.612 -13.915 4.281 947 HA CYS 724 HA CYS 724 -2.569 -15.811 2.260 948 HB2 CYS 724 2HB CYS 724 -0.124 -15.207 2.127 949 HB3 CYS 724 1HB CYS 724 0.054 -15.893 3.728 950 HA PRO 725 HA PRO 725 -3.898 -17.692 6.112 951 HB2 PRO 725 2HB PRO 725 -5.348 -19.731 5.014 952 HB3 PRO 725 1HB PRO 725 -5.958 -18.082 5.165 953 HG2 PRO 725 2HG PRO 725 -5.054 -19.530 2.765 954 HG3 PRO 725 1HG PRO 725 -6.131 -18.140 2.894 955 HD2 PRO 725 2HD PRO 725 -3.375 -18.137 2.161 956 HD3 PRO 725 1HD PRO 725 -4.431 -16.734 2.420 Start of MODEL 12 1 H1 GLU 578 1HT GLU 578 -14.315 7.631 -11.208 2 H2 GLU 578 2HT GLU 578 -14.469 6.320 -12.244 3 H3 GLU 578 3HT GLU 578 -12.965 7.065 -12.072 4 HA GLU 578 HA GLU 578 -13.072 4.980 -10.863 5 HB2 GLU 578 2HB GLU 578 -11.859 7.088 -9.958 6 HB3 GLU 578 1HB GLU 578 -13.254 7.301 -8.919 7 HG2 GLU 578 2HG GLU 578 -11.340 4.963 -8.873 8 HG3 GLU 578 1HG GLU 578 -11.378 6.292 -7.725 9 H ALA 579 H ALA 579 -14.805 3.644 -10.604 10 HA ALA 579 HA ALA 579 -16.733 4.196 -8.572 11 HB1 ALA 579 1HB ALA 579 -17.649 4.012 -11.447 12 HB2 ALA 579 2HB ALA 579 -17.724 5.452 -10.432 13 HB3 ALA 579 3HB ALA 579 -18.699 4.037 -10.034 14 H GLU 580 H GLU 580 -17.507 2.283 -7.794 15 HA GLU 580 HA GLU 580 -17.463 0.002 -9.507 16 HB2 GLU 580 2HB GLU 580 -15.164 0.035 -8.603 17 HB3 GLU 580 1HB GLU 580 -15.823 -0.050 -6.975 18 HG2 GLU 580 2HG GLU 580 -16.754 -2.229 -7.426 19 HG3 GLU 580 1HG GLU 580 -16.225 -2.144 -9.103 20 H ALA 581 H ALA 581 -19.598 0.035 -9.269 21 HA ALA 581 HA ALA 581 -20.685 -0.618 -6.625 22 HB1 ALA 581 1HB ALA 581 -22.876 -0.127 -7.630 23 HB2 ALA 581 2HB ALA 581 -22.090 0.197 -9.176 24 HB3 ALA 581 3HB ALA 581 -21.774 1.244 -7.793 25 H GLU 582 H GLU 582 -19.550 -1.936 -9.384 26 HA GLU 582 HA GLU 582 -21.275 -4.266 -9.427 27 HB2 GLU 582 2HB GLU 582 -20.456 -3.210 -11.534 28 HB3 GLU 582 1HB GLU 582 -18.814 -3.566 -11.038 29 HG2 GLU 582 2HG GLU 582 -19.353 -5.969 -11.102 30 HG3 GLU 582 1HG GLU 582 -20.965 -5.559 -11.694 31 H PHE 583 H PHE 583 -20.861 -5.416 -7.602 32 HA PHE 583 HA PHE 583 -18.301 -6.629 -7.435 33 HB2 PHE 583 2HB PHE 583 -17.932 -6.076 -5.039 34 HB3 PHE 583 1HB PHE 583 -17.736 -4.696 -6.116 35 HD1 PHE 583 2HD PHE 583 -19.491 -2.919 -6.081 36 HD2 PHE 583 1HD PHE 583 -19.501 -6.148 -3.321 37 HE1 PHE 583 2HE PHE 583 -21.008 -1.653 -4.613 38 HE2 PHE 583 1HE PHE 583 -21.025 -4.897 -1.849 39 HZ PHE 583 HZ PHE 583 -21.779 -2.641 -2.497 40 H LEU 584 H LEU 584 -18.292 -8.522 -6.562 41 HA LEU 584 HA LEU 584 -20.385 -9.494 -4.802 42 HB2 LEU 584 2HB LEU 584 -21.232 -9.887 -7.168 43 HB3 LEU 584 1HB LEU 584 -19.821 -10.869 -7.463 44 HG LEU 584 HG LEU 584 -21.985 -11.563 -5.438 45 HD13 LEU 584 1HD LEU 584 -21.575 -12.575 -8.245 46 HD21 LEU 584 2HD LEU 584 -19.819 -12.650 -4.978 47 H SER 585 H SER 585 -17.524 -10.167 -6.780 48 HA SER 585 HA SER 585 -16.521 -12.141 -4.976 49 HB2 SER 585 2HB SER 585 -15.178 -10.700 -7.278 50 HB3 SER 585 1HB SER 585 -14.602 -12.172 -6.494 51 HG SER 585 HG SER 585 -16.022 -13.311 -7.549 52 H ARG 586 H ARG 586 -16.867 -8.975 -4.700 53 HA ARG 586 HA ARG 586 -14.449 -8.565 -3.103 54 HB2 ARG 586 2HB ARG 586 -14.516 -6.893 -4.835 55 HB3 ARG 586 1HB ARG 586 -16.206 -6.551 -4.519 56 HG2 ARG 586 2HG ARG 586 -15.552 -5.709 -2.258 57 HG3 ARG 586 1HG ARG 586 -13.870 -5.947 -2.722 58 HD2 ARG 586 2HD ARG 586 -14.063 -4.323 -4.481 59 HD3 ARG 586 1HD ARG 586 -15.800 -4.193 -4.228 60 HE ARG 586 HE ARG 586 -14.560 -3.546 -1.819 61 HH12 ARG 586 1HH ARG 586 -14.552 -0.594 -4.580 62 HH21 ARG 586 2HH ARG 586 -14.437 -0.081 -2.275 63 H THR 587 H THR 587 -14.881 -8.904 -1.112 64 HA THR 587 HA THR 587 -17.500 -8.309 0.051 65 HB THR 587 HB THR 587 -15.081 -9.781 1.111 66 HG1 THR 587 1HG THR 587 -15.796 -11.507 0.359 67 HG21 THR 587 2HG THR 587 -16.520 -9.056 2.894 68 H GLU 588 H GLU 588 -17.532 -6.526 1.567 69 HA GLU 588 HA GLU 588 -14.870 -5.461 2.134 70 HB2 GLU 588 2HB GLU 588 -16.255 -3.949 0.676 71 HB3 GLU 588 1HB GLU 588 -17.401 -3.805 2.003 72 HG2 GLU 588 2HG GLU 588 -15.714 -2.790 3.405 73 HG3 GLU 588 1HG GLU 588 -14.502 -3.020 2.154 74 H GLY 589 H GLY 589 -14.267 -5.159 4.132 75 HA2 GLY 589 2HA GLY 589 -16.129 -6.180 6.145 76 HA3 GLY 589 1HA GLY 589 -14.380 -6.220 6.258 77 H ASP 590 H ASP 590 -13.810 -5.063 7.926 78 HA ASP 590 HA ASP 590 -15.190 -2.527 8.448 79 HB2 ASP 590 2HB ASP 590 -14.004 -4.513 10.399 80 HB3 ASP 590 1HB ASP 590 -14.614 -2.931 10.857 81 H ASN 591 H ASN 591 -13.484 -1.637 10.429 82 HA ASN 591 HA ASN 591 -11.423 -0.538 8.818 83 HB2 ASN 591 2HB ASN 591 -10.775 0.804 10.732 84 HB3 ASN 591 1HB ASN 591 -12.524 0.800 10.624 85 HD21 ASN 591 2HD ASN 591 -12.965 -0.711 13.751 86 H CYS 592 H CYS 592 -9.652 -1.464 8.311 87 HA CYS 592 HA CYS 592 -7.607 -2.356 8.436 88 HB2 CYS 592 2HB CYS 592 -8.013 -2.140 11.397 89 HB3 CYS 592 1HB CYS 592 -6.463 -2.524 10.622 90 H THR 593 H THR 593 -10.230 -4.120 9.731 91 HA THR 593 HA THR 593 -8.672 -6.548 9.278 92 HB THR 593 HB THR 593 -10.214 -7.683 10.892 93 HG1 THR 593 1HG THR 593 -10.951 -5.323 12.098 94 HG21 THR 593 2HG THR 593 -9.227 -6.754 12.957 95 H VAL 594 H VAL 594 -9.737 -8.111 8.070 96 HA VAL 594 HA VAL 594 -12.368 -7.332 7.127 97 HB VAL 594 HB VAL 594 -10.783 -6.695 5.384 98 HG13 VAL 594 1HG VAL 594 -8.967 -8.215 5.789 99 HG21 VAL 594 2HG VAL 594 -13.002 -7.398 4.697 100 H PHE 595 H PHE 595 -13.811 -8.809 7.560 101 HA PHE 595 HA PHE 595 -12.896 -11.553 7.349 102 HB2 PHE 595 2HB PHE 595 -13.787 -11.193 9.592 103 HB3 PHE 595 1HB PHE 595 -15.286 -10.546 8.924 104 HD1 PHE 595 2HD PHE 595 -13.254 -13.545 8.055 105 HD2 PHE 595 1HD PHE 595 -17.002 -12.050 9.363 106 HE1 PHE 595 2HE PHE 595 -14.158 -15.787 7.915 107 HE2 PHE 595 1HE PHE 595 -17.938 -14.328 9.246 108 HZ PHE 595 HZ PHE 595 -16.503 -16.206 8.522 109 H ASP 596 H ASP 596 -13.540 -12.695 5.791 110 HA ASP 596 HA ASP 596 -15.660 -11.648 4.022 111 HB2 ASP 596 2HB ASP 596 -13.325 -11.885 3.127 112 HB3 ASP 596 1HB ASP 596 -13.441 -13.599 3.469 113 H SER 597 H SER 597 -17.466 -12.631 3.981 114 HA SER 597 HA SER 597 -17.951 -14.937 5.500 115 HB2 SER 597 2HB SER 597 -20.245 -14.669 4.462 116 HB3 SER 597 1HB SER 597 -19.631 -13.289 5.377 117 HG SER 597 HG SER 597 -19.924 -13.602 2.595 118 H GLN 598 H GLN 598 -17.318 -14.463 2.012 119 HA GLN 598 HA GLN 598 -18.332 -17.087 1.436 120 HB2 GLN 598 2HB GLN 598 -17.475 -16.700 -0.793 121 HB3 GLN 598 1HB GLN 598 -18.628 -15.426 -0.355 122 HG2 GLN 598 2HG GLN 598 -16.648 -13.995 0.097 123 HG3 GLN 598 1HG GLN 598 -15.615 -15.315 -0.418 124 HE21 GLN 598 2HE GLN 598 -16.162 -12.764 -3.051 125 H ALA 599 H ALA 599 -15.292 -15.477 1.910 126 HA ALA 599 HA ALA 599 -13.746 -17.735 1.088 127 HB1 ALA 599 1HB ALA 599 -11.812 -16.370 1.722 128 HB2 ALA 599 2HB ALA 599 -12.859 -15.345 2.660 129 HB3 ALA 599 3HB ALA 599 -13.021 -15.348 0.894 130 H GLY 600 H GLY 600 -15.151 -16.554 4.008 131 HA2 GLY 600 2HA GLY 600 -15.421 -17.500 6.074 132 HA3 GLY 600 1HA GLY 600 -14.712 -18.973 5.447 133 H PHE 601 H PHE 601 -12.811 -16.140 5.137 134 HA PHE 601 HA PHE 601 -11.291 -16.863 7.526 135 HB2 PHE 601 2HB PHE 601 -10.150 -16.203 4.809 136 HB3 PHE 601 1HB PHE 601 -9.194 -16.220 6.280 137 HD1 PHE 601 2HD PHE 601 -9.183 -18.434 7.609 138 HD2 PHE 601 1HD PHE 601 -10.378 -18.129 3.541 139 HE1 PHE 601 2HE PHE 601 -8.745 -20.835 7.307 140 HE2 PHE 601 1HE PHE 601 -9.950 -20.530 3.231 141 HZ PHE 601 HZ PHE 601 -9.133 -21.887 5.112 142 H SER 602 H SER 602 -10.185 -15.216 8.559 143 HA SER 602 HA SER 602 -11.096 -12.547 7.848 144 HB2 SER 602 2HB SER 602 -11.012 -12.120 10.343 145 HB3 SER 602 1HB SER 602 -12.257 -13.263 9.837 146 HG SER 602 HG SER 602 -10.974 -14.941 10.494 147 H PHE 603 H PHE 603 -9.542 -11.051 7.659 148 HA PHE 603 HA PHE 603 -6.836 -11.868 8.404 149 HB2 PHE 603 2HB PHE 603 -7.720 -10.531 5.843 150 HB3 PHE 603 1HB PHE 603 -6.039 -10.623 6.355 151 HD1 PHE 603 1HD PHE 603 -4.861 -12.722 6.367 152 HD2 PHE 603 2HD PHE 603 -8.911 -12.576 4.989 153 HE1 PHE 603 1HE PHE 603 -4.615 -14.933 5.346 154 HE2 PHE 603 2HE PHE 603 -8.629 -14.776 3.991 155 HZ PHE 603 HZ PHE 603 -6.497 -15.958 4.160 156 H ASP 604 H ASP 604 -5.526 -10.412 9.316 157 HA ASP 604 HA ASP 604 -6.697 -7.786 10.124 158 HB2 ASP 604 2HB ASP 604 -4.433 -9.360 11.373 159 HB3 ASP 604 1HB ASP 604 -5.170 -7.895 11.983 160 H LEU 605 H LEU 605 -5.910 -6.236 8.841 161 HA LEU 605 HA LEU 605 -3.121 -6.471 8.194 162 HB2 LEU 605 2HB LEU 605 -5.322 -4.877 6.893 163 HB3 LEU 605 1HB LEU 605 -3.636 -4.584 6.553 164 HG LEU 605 HG LEU 605 -4.598 -5.900 4.802 165 HD13 LEU 605 1HD LEU 605 -2.293 -6.322 5.251 166 HD21 LEU 605 2HD LEU 605 -5.221 -8.009 6.858 167 H THR 606 H THR 606 -4.686 -5.534 10.615 168 HA THR 606 HA THR 606 -4.409 -2.866 11.131 169 HB THR 606 HB THR 606 -4.113 -4.869 13.319 170 HG1 THR 606 1HG THR 606 -6.285 -5.523 12.934 171 HG21 THR 606 2HG THR 606 -4.574 -2.463 13.705 172 HA PRO 607 HA PRO 607 -0.084 -3.897 13.334 173 HB2 PRO 607 2HB PRO 607 0.797 -6.339 11.904 174 HB3 PRO 607 1HB PRO 607 0.874 -5.965 13.632 175 HG2 PRO 607 2HG PRO 607 -0.857 -7.758 12.710 176 HG3 PRO 607 1HG PRO 607 -1.321 -6.634 13.999 177 HD2 PRO 607 2HD PRO 607 -1.928 -6.504 11.069 178 HD3 PRO 607 1HD PRO 607 -3.021 -6.241 12.440 179 H LEU 608 H LEU 608 -0.834 -4.374 10.065 180 HA LEU 608 HA LEU 608 1.714 -4.038 8.853 181 HB2 LEU 608 2HB LEU 608 -1.096 -3.811 7.813 182 HB3 LEU 608 1HB LEU 608 0.317 -3.570 6.794 183 HG LEU 608 HG LEU 608 -0.718 -5.794 6.497 184 HD13 LEU 608 1HD LEU 608 1.277 -7.113 6.738 185 HD21 LEU 608 2HD LEU 608 -1.472 -6.001 8.872 186 H THR 609 H THR 609 -0.668 -1.871 10.058 187 HA THR 609 HA THR 609 -0.074 0.497 8.629 188 HB THR 609 HB THR 609 -1.021 0.168 11.478 189 HG1 THR 609 1HG THR 609 -2.675 0.274 9.155 190 HG21 THR 609 2HG THR 609 -1.557 2.283 9.395 191 H LYS 610 H LYS 610 1.545 1.855 8.745 192 HA LYS 610 HA LYS 610 3.393 1.668 11.018 193 HB2 LYS 610 2HB LYS 610 3.986 1.966 8.106 194 HB3 LYS 610 1HB LYS 610 5.108 2.510 9.323 195 HG2 LYS 610 2HG LYS 610 5.181 0.153 10.171 196 HG3 LYS 610 1HG LYS 610 4.168 -0.302 8.805 197 HD2 LYS 610 2HD LYS 610 5.824 0.422 7.229 198 HD3 LYS 610 1HD LYS 610 6.811 1.120 8.508 199 HE2 LYS 610 2HE LYS 610 6.180 -1.819 8.228 200 HE3 LYS 610 1HE LYS 610 7.664 -1.054 7.666 201 HZ1 LYS 610 3HZ LYS 610 6.747 -1.154 10.501 202 HZ2 LYS 610 1HZ LYS 610 8.160 -0.428 9.952 203 HZ3 LYS 610 2HZ LYS 610 7.954 -2.087 9.821 204 H LYS 611 H LYS 611 4.086 3.551 11.874 205 HA LYS 611 HA LYS 611 2.749 5.967 11.172 206 HB2 LYS 611 2HB LYS 611 5.021 5.451 13.080 207 HB3 LYS 611 1HB LYS 611 4.237 7.013 12.866 208 HG2 LYS 611 2HG LYS 611 2.108 6.058 13.589 209 HG3 LYS 611 1HG LYS 611 2.877 4.485 13.779 210 HD2 LYS 611 2HD LYS 611 2.647 5.634 15.929 211 HD3 LYS 611 1HD LYS 611 4.337 5.392 15.491 212 HE2 LYS 611 2HE LYS 611 4.490 7.706 14.733 213 HE3 LYS 611 1HE LYS 611 2.787 7.961 15.118 214 HZ1 LYS 611 3HZ LYS 611 3.293 7.613 17.434 215 HZ2 LYS 611 1HZ LYS 611 4.333 8.793 16.782 216 HZ3 LYS 611 2HZ LYS 611 4.908 7.239 17.041 217 H ASP 612 H ASP 612 5.754 4.543 10.376 218 HA ASP 612 HA ASP 612 6.835 6.920 9.112 219 HB2 ASP 612 2HB ASP 612 7.657 4.014 8.794 220 HB3 ASP 612 1HB ASP 612 8.527 5.385 8.131 221 H ALA 613 H ALA 613 4.719 4.430 8.456 222 HA ALA 613 HA ALA 613 3.506 3.675 6.741 223 HB1 ALA 613 1HB ALA 613 2.778 5.978 6.557 224 HB2 ALA 613 2HB ALA 613 2.947 5.307 4.931 225 HB3 ALA 613 3HB ALA 613 4.189 6.374 5.597 226 H TYR 614 H TYR 614 3.688 3.573 4.085 227 HA TYR 614 HA TYR 614 6.374 2.482 3.689 228 HB2 TYR 614 2HB TYR 614 3.722 1.707 2.472 229 HB3 TYR 614 1HB TYR 614 5.271 1.062 1.946 230 HD1 TYR 614 2HD TYR 614 3.203 1.433 5.047 231 HD2 TYR 614 1HD TYR 614 6.039 -0.915 2.902 232 HE1 TYR 614 2HE TYR 614 3.051 -0.271 6.746 233 HE2 TYR 614 1HE TYR 614 5.899 -2.658 4.596 234 HH TYR 614 HH TYR 614 3.449 -2.612 7.015 235 H LYS 615 H LYS 615 7.535 3.133 1.979 236 HA LYS 615 HA LYS 615 6.238 5.036 0.178 237 HB2 LYS 615 2HB LYS 615 7.926 6.153 1.569 238 HB3 LYS 615 1HB LYS 615 9.171 5.048 1.071 239 HG2 LYS 615 2HG LYS 615 8.612 5.779 -1.296 240 HG3 LYS 615 1HG LYS 615 7.700 7.096 -0.565 241 HD2 LYS 615 2HD LYS 615 10.641 6.462 -0.191 242 HD3 LYS 615 1HD LYS 615 10.027 7.793 -1.177 243 HE2 LYS 615 2HE LYS 615 9.056 8.718 0.975 244 HE3 LYS 615 1HE LYS 615 9.957 7.453 1.816 245 HZ1 LYS 615 3HZ LYS 615 11.188 9.548 1.774 246 HZ2 LYS 615 1HZ LYS 615 11.114 9.559 0.096 247 HZ3 LYS 615 2HZ LYS 615 12.012 8.378 0.885 248 H VAL 616 H VAL 616 6.376 4.572 -1.874 249 HA VAL 616 HA VAL 616 8.273 2.512 -2.759 250 HB VAL 616 HB VAL 616 5.805 3.509 -4.166 251 HG13 VAL 616 1HG VAL 616 7.456 2.598 -5.687 252 HG21 VAL 616 2HG VAL 616 4.705 1.368 -3.575 253 H GLU 617 H GLU 617 9.704 3.256 -4.295 254 HA GLU 617 HA GLU 617 9.456 6.127 -4.934 255 HB2 GLU 617 2HB GLU 617 12.054 4.589 -4.947 256 HB3 GLU 617 1HB GLU 617 11.844 6.319 -5.067 257 HG2 GLU 617 2HG GLU 617 12.610 6.085 -2.917 258 HG3 GLU 617 1HG GLU 617 10.864 6.079 -2.661 259 H THR 618 H THR 618 9.720 6.800 -7.075 260 HA THR 618 HA THR 618 10.286 4.669 -8.942 261 HB THR 618 HB THR 618 8.689 5.783 -10.506 262 HG1 THR 618 1HG THR 618 8.027 7.344 -8.239 263 HG21 THR 618 2HG THR 618 7.834 3.941 -9.006 264 H ASP 619 H ASP 619 10.479 6.382 -11.103 265 HA ASP 619 HA ASP 619 12.984 7.542 -10.587 266 HB2 ASP 619 2HB ASP 619 11.159 7.694 -12.959 267 HB3 ASP 619 1HB ASP 619 12.653 8.619 -12.877 268 H LYS 620 H LYS 620 9.786 8.959 -10.925 269 HA LYS 620 HA LYS 620 11.035 11.469 -10.088 270 HB2 LYS 620 2HB LYS 620 8.723 11.123 -11.964 271 HB3 LYS 620 1HB LYS 620 9.338 12.672 -11.427 272 HG2 LYS 620 2HG LYS 620 11.440 12.277 -12.569 273 HG3 LYS 620 1HG LYS 620 10.924 10.651 -13.005 274 HD2 LYS 620 2HD LYS 620 9.571 13.200 -13.902 275 HD3 LYS 620 1HD LYS 620 10.697 12.253 -14.876 276 HE2 LYS 620 2HE LYS 620 9.157 10.329 -14.765 277 HE3 LYS 620 1HE LYS 620 8.038 11.279 -13.794 278 HZ1 LYS 620 3HZ LYS 620 8.837 11.861 -16.593 279 HZ2 LYS 620 1HZ LYS 620 7.784 12.797 -15.664 280 HZ3 LYS 620 2HZ LYS 620 7.372 11.233 -16.102 281 H TYR 621 H TYR 621 8.850 9.193 -9.105 282 HA TYR 621 HA TYR 621 7.576 11.179 -7.338 283 HB2 TYR 621 2HB TYR 621 6.276 8.853 -8.745 284 HB3 TYR 621 1HB TYR 621 5.523 9.750 -7.438 285 HD1 TYR 621 1HD TYR 621 7.035 10.266 -10.795 286 HD2 TYR 621 2HD TYR 621 4.131 11.497 -7.986 287 HE1 TYR 621 1HE TYR 621 6.124 11.795 -12.455 288 HE2 TYR 621 2HE TYR 621 3.169 13.037 -9.645 289 HH TYR 621 HH TYR 621 3.893 12.881 -12.884 290 H GLU 622 H GLU 622 6.863 10.286 -5.361 291 HA GLU 622 HA GLU 622 7.678 7.549 -4.853 292 HB2 GLU 622 2HB GLU 622 8.206 8.026 -2.553 293 HB3 GLU 622 1HB GLU 622 9.136 9.162 -3.512 294 HG2 GLU 622 2HG GLU 622 7.632 10.938 -2.981 295 HG3 GLU 622 1HG GLU 622 6.500 9.825 -2.242 296 H PHE 623 H PHE 623 6.166 6.458 -3.749 297 HA PHE 623 HA PHE 623 3.673 7.933 -3.361 298 HB2 PHE 623 2HB PHE 623 4.072 4.974 -3.902 299 HB3 PHE 623 1HB PHE 623 2.525 5.751 -3.627 300 HD1 PHE 623 1HD PHE 623 5.382 5.526 -5.969 301 HD2 PHE 623 2HD PHE 623 1.363 6.804 -5.409 302 HE1 PHE 623 1HE PHE 623 5.167 5.924 -8.377 303 HE2 PHE 623 2HE PHE 623 1.155 7.198 -7.815 304 HZ PHE 623 HZ PHE 623 3.063 6.753 -9.305 305 H HIS 624 H HIS 624 3.219 8.158 -1.255 306 HA HIS 624 HA HIS 624 4.382 6.193 0.565 307 HB2 HIS 624 2HB HIS 624 4.525 9.015 0.585 308 HB3 HIS 624 1HB HIS 624 3.344 8.577 1.806 309 HD1 HIS 624 1HD HIS 624 6.904 8.857 1.273 310 HD2 HIS 624 2HD HIS 624 4.380 6.654 3.719 311 HE1 HIS 624 1HE HIS 624 8.361 7.939 3.107 312 HE2 HIS 624 2HE HIS 624 6.734 6.980 4.761 313 H ILE 625 H ILE 625 2.961 4.905 1.481 314 HA ILE 625 HA ILE 625 0.167 5.746 1.688 315 HB ILE 625 HB ILE 625 -0.638 3.610 0.807 316 HG12 ILE 625 1HG ILE 625 2.289 2.969 0.482 317 HG23 ILE 625 2HG ILE 625 1.309 4.852 -1.139 318 HD11 ILE 625 1HD ILE 625 1.615 0.815 -0.470 319 H ASN 626 H ASN 626 -0.951 4.517 3.233 320 HA ASN 626 HA ASN 626 0.727 2.857 4.991 321 HB2 ASN 626 2HB ASN 626 0.503 5.144 5.959 322 HB3 ASN 626 1HB ASN 626 -1.249 4.959 5.930 323 HD21 ASN 626 2HD ASN 626 -0.858 4.062 9.252 324 H VAL 627 H VAL 627 -0.530 1.314 6.233 325 HA VAL 627 HA VAL 627 -2.776 0.374 4.661 326 HB VAL 627 HB VAL 627 -1.475 -0.891 7.080 327 HG13 VAL 627 1HG VAL 627 -2.643 -2.908 6.378 328 HG21 VAL 627 2HG VAL 627 -1.167 -1.434 4.145 329 H CYS 628 H CYS 628 -4.617 1.044 5.003 330 HA CYS 628 HA CYS 628 -6.481 1.796 5.741 331 HB2 CYS 628 2HB CYS 628 -7.477 0.891 7.824 332 HB3 CYS 628 1HB CYS 628 -6.755 -0.357 6.828 333 H GLY 629 H GLY 629 -7.510 3.386 6.710 334 HA2 GLY 629 2HA GLY 629 -7.803 5.289 8.054 335 HA3 GLY 629 1HA GLY 629 -6.307 4.891 8.889 336 HA PRO 630 HA PRO 630 -4.992 8.198 6.151 337 HB2 PRO 630 2HB PRO 630 -3.862 9.705 7.963 338 HB3 PRO 630 1HB PRO 630 -5.623 9.658 7.762 339 HG2 PRO 630 2HG PRO 630 -3.920 8.193 9.780 340 HG3 PRO 630 1HG PRO 630 -5.417 9.131 10.080 341 HD2 PRO 630 2HD PRO 630 -5.221 6.433 9.822 342 HD3 PRO 630 1HD PRO 630 -6.682 7.361 9.442 343 H VAL 631 H VAL 631 -2.813 9.007 5.812 344 HA VAL 631 HA VAL 631 -0.745 7.111 6.620 345 HB VAL 631 HB VAL 631 -1.143 7.423 4.152 346 HG13 VAL 631 1HG VAL 631 -0.129 10.213 4.506 347 HG21 VAL 631 2HG VAL 631 0.948 6.535 4.679 348 H SER 632 H SER 632 0.863 7.848 7.933 349 HA SER 632 HA SER 632 0.618 10.572 8.686 350 HB2 SER 632 2HB SER 632 2.211 9.792 10.544 351 HB3 SER 632 1HB SER 632 0.545 9.202 10.534 352 HG SER 632 HG SER 632 2.922 7.878 9.911 353 H VAL 633 H VAL 633 1.406 11.371 6.761 354 HA VAL 633 HA VAL 633 4.329 11.702 6.765 355 HB VAL 633 HB VAL 633 2.620 11.568 4.241 356 HG13 VAL 633 1HG VAL 633 4.589 12.957 3.999 357 HG21 VAL 633 2HG VAL 633 2.736 9.435 5.306 358 H GLY 634 H GLY 634 4.859 13.857 6.646 359 HA2 GLY 634 2HA GLY 634 2.840 15.792 7.094 360 HA3 GLY 634 1HA GLY 634 4.539 16.121 6.808 361 H ALA 635 H ALA 635 4.047 14.521 4.206 362 HA ALA 635 HA ALA 635 3.927 16.736 2.480 363 HB1 ALA 635 1HB ALA 635 5.021 14.623 1.870 364 HB2 ALA 635 2HB ALA 635 3.851 15.129 0.651 365 HB3 ALA 635 3HB ALA 635 3.444 13.840 1.783 366 H CYS 636 H CYS 636 1.433 14.459 3.480 367 HA CYS 636 HA CYS 636 -0.501 16.262 2.265 368 HB2 CYS 636 2HB CYS 636 -0.511 13.250 2.223 369 HB3 CYS 636 1HB CYS 636 -1.961 14.183 1.890 370 HA PRO 637 HA PRO 637 -2.435 16.722 6.137 371 HB2 PRO 637 2HB PRO 637 -5.102 16.426 5.510 372 HB3 PRO 637 1HB PRO 637 -4.168 17.892 5.209 373 HG2 PRO 637 2HG PRO 637 -4.806 15.642 3.334 374 HG3 PRO 637 1HG PRO 637 -4.900 17.387 3.039 375 HD2 PRO 637 2HD PRO 637 -2.844 16.007 2.141 376 HD3 PRO 637 1HD PRO 637 -2.582 17.601 2.869 377 HA PRO 638 HA PRO 638 -3.210 12.745 8.140 378 HB2 PRO 638 2HB PRO 638 -5.205 14.301 9.720 379 HB3 PRO 638 1HB PRO 638 -3.884 13.274 10.287 380 HG2 PRO 638 2HG PRO 638 -3.657 15.906 10.420 381 HG3 PRO 638 1HG PRO 638 -2.274 14.914 9.921 382 HD2 PRO 638 2HD PRO 638 -4.110 16.580 8.248 383 HD3 PRO 638 1HD PRO 638 -2.356 16.345 8.116 384 H ASP 639 H ASP 639 -5.570 14.563 6.540 385 HA ASP 639 HA ASP 639 -7.785 12.746 6.855 386 HB2 ASP 639 2HB ASP 639 -7.374 14.908 4.794 387 HB3 ASP 639 1HB ASP 639 -8.886 14.083 5.161 388 H SER 640 H SER 640 -4.922 12.632 5.094 389 HA SER 640 HA SER 640 -6.118 11.084 2.922 390 HB2 SER 640 2HB SER 640 -4.763 13.010 2.222 391 HB3 SER 640 1HB SER 640 -3.398 12.391 3.147 392 HG SER 640 HG SER 640 -4.559 11.368 0.782 393 H GLY 641 H GLY 641 -5.459 9.019 2.535 394 HA2 GLY 641 2HA GLY 641 -3.795 7.738 4.606 395 HA3 GLY 641 1HA GLY 641 -5.016 6.910 3.645 396 H ALA 642 H ALA 642 -3.689 8.725 1.408 397 HA ALA 642 HA ALA 642 -1.162 7.348 0.983 398 HB1 ALA 642 1HB ALA 642 -2.665 5.720 0.053 399 HB2 ALA 642 2HB ALA 642 -1.855 6.552 -1.258 400 HB3 ALA 642 3HB ALA 642 -3.538 6.951 -0.871 401 H CYS 643 H CYS 643 0.216 8.598 -0.009 402 HA CYS 643 HA CYS 643 -0.775 11.003 -1.339 403 HB2 CYS 643 2HB CYS 643 -0.466 11.628 0.959 404 HB3 CYS 643 1HB CYS 643 1.130 10.898 0.990 405 H GLN 644 H GLN 644 0.426 11.557 -3.046 406 HA GLN 644 HA GLN 644 3.063 10.292 -3.359 407 HB2 GLN 644 2HB GLN 644 2.779 10.693 -5.727 408 HB3 GLN 644 1HB GLN 644 1.753 9.360 -5.139 409 HG2 GLN 644 2HG GLN 644 -0.138 10.950 -5.190 410 HG3 GLN 644 1HG GLN 644 0.938 12.212 -5.756 411 HE21 GLN 644 2HE GLN 644 -0.237 11.340 -8.941 412 H VAL 645 H VAL 645 4.704 11.536 -4.112 413 HA VAL 645 HA VAL 645 4.092 14.286 -4.706 414 HB VAL 645 HB VAL 645 4.745 14.357 -2.331 415 HG13 VAL 645 1HG VAL 645 6.977 13.733 -1.582 416 HG21 VAL 645 2HG VAL 645 5.408 16.250 -3.733 417 H SER 646 H SER 646 5.093 15.052 -6.331 418 HA SER 646 HA SER 646 6.872 13.388 -7.837 419 HB2 SER 646 2HB SER 646 5.195 14.732 -9.024 420 HB3 SER 646 1HB SER 646 5.851 16.210 -8.318 421 HG SER 646 HG SER 646 6.505 15.338 -10.572 422 H ARG 647 H ARG 647 8.837 13.311 -7.241 423 HA ARG 647 HA ARG 647 10.152 15.322 -5.654 424 HB2 ARG 647 2HB ARG 647 12.150 13.902 -5.834 425 HB3 ARG 647 1HB ARG 647 10.744 12.891 -5.559 426 HG2 ARG 647 2HG ARG 647 10.649 12.514 -8.027 427 HG3 ARG 647 1HG ARG 647 12.222 13.297 -8.124 428 HD2 ARG 647 2HD ARG 647 11.565 10.842 -6.507 429 HD3 ARG 647 1HD ARG 647 12.367 10.863 -8.072 430 HE ARG 647 HE ARG 647 13.621 12.316 -5.878 431 HH12 ARG 647 1HH ARG 647 15.136 8.927 -7.555 432 HH21 ARG 647 2HH ARG 647 16.379 10.133 -5.898 433 H SER 648 H SER 648 9.545 14.796 -8.920 434 HA SER 648 HA SER 648 11.745 16.251 -10.038 435 HB2 SER 648 2HB SER 648 10.595 14.307 -11.185 436 HB3 SER 648 1HB SER 648 9.177 15.316 -11.310 437 HG SER 648 HG SER 648 11.626 15.545 -12.648 438 H ASP 649 H ASP 649 8.200 16.870 -9.644 439 HA ASP 649 HA ASP 649 8.737 19.644 -10.474 440 HB2 ASP 649 2HB ASP 649 7.069 18.339 -11.817 441 HB3 ASP 649 1HB ASP 649 6.033 18.279 -10.399 442 H ARG 650 H ARG 650 8.110 17.909 -7.713 443 HA ARG 650 HA ARG 650 7.952 18.331 -5.629 444 HB2 ARG 650 2HB ARG 650 9.529 20.146 -6.036 445 HB3 ARG 650 1HB ARG 650 8.205 21.239 -6.413 446 HG2 ARG 650 2HG ARG 650 9.035 21.649 -4.202 447 HG3 ARG 650 1HG ARG 650 7.375 20.967 -4.291 448 HD2 ARG 650 2HD ARG 650 8.777 19.981 -2.422 449 HD3 ARG 650 1HD ARG 650 8.074 18.834 -3.550 450 HE ARG 650 HE ARG 650 10.647 19.518 -4.417 451 HH12 ARG 650 1HH ARG 650 10.396 16.647 -1.586 452 HH21 ARG 650 2HH ARG 650 12.330 16.848 -2.885 453 H LYS 651 H LYS 651 5.722 18.269 -7.412 454 HA LYS 651 HA LYS 651 3.548 19.562 -5.938 455 HB2 LYS 651 2HB LYS 651 3.755 17.895 -8.408 456 HB3 LYS 651 1HB LYS 651 2.218 18.302 -7.675 457 HG2 LYS 651 2HG LYS 651 4.176 20.372 -8.372 458 HG3 LYS 651 1HG LYS 651 3.194 19.657 -9.638 459 HD2 LYS 651 2HD LYS 651 1.202 20.193 -8.171 460 HD3 LYS 651 1HD LYS 651 2.296 21.146 -7.155 461 HE2 LYS 651 2HE LYS 651 2.883 22.491 -9.142 462 HE3 LYS 651 1HE LYS 651 1.736 21.528 -10.072 463 HZ1 LYS 651 3HZ LYS 651 1.030 23.324 -7.793 464 HZ2 LYS 651 1HZ LYS 651 -0.066 22.372 -8.650 465 HZ3 LYS 651 2HZ LYS 651 0.749 23.617 -9.421 466 H SER 652 H SER 652 2.075 18.329 -4.695 467 HA SER 652 HA SER 652 2.457 15.462 -4.734 468 HB2 SER 652 2HB SER 652 2.049 15.365 -2.299 469 HB3 SER 652 1HB SER 652 3.578 16.092 -2.733 470 HG SER 652 HG SER 652 2.660 18.132 -2.457 471 H TRP 653 H TRP 653 0.652 14.235 -4.131 472 HA TRP 653 HA TRP 653 -1.880 15.666 -4.459 473 HB2 TRP 653 2HB TRP 653 -0.973 13.296 -6.073 474 HB3 TRP 653 1HB TRP 653 -2.588 13.969 -6.130 475 HD1 TRP 653 HD TRP 653 -2.852 16.337 -7.408 476 HE1 TRP 653 1HE TRP 653 -1.370 17.494 -9.196 477 HE3 TRP 653 3HE TRP 653 1.455 13.697 -6.753 478 HZ2 TRP 653 2HZ TRP 653 1.232 17.299 -10.168 479 HZ3 TRP 653 3HZ TRP 653 3.372 14.225 -8.094 480 HH2 TRP 653 HH TRP 653 3.276 16.030 -9.809 481 H ASN 654 H ASN 654 -3.696 14.422 -3.882 482 HA ASN 654 HA ASN 654 -3.199 12.603 -1.640 483 HB2 ASN 654 2HB ASN 654 -4.798 14.720 -1.605 484 HB3 ASN 654 1HB ASN 654 -5.768 13.757 -2.643 485 HD21 ASN 654 2HD ASN 654 -6.826 13.505 0.923 486 H LEU 655 H LEU 655 -3.474 10.444 -2.001 487 HA LEU 655 HA LEU 655 -4.741 9.597 -4.513 488 HB2 LEU 655 2HB LEU 655 -2.860 8.152 -2.672 489 HB3 LEU 655 1HB LEU 655 -3.489 7.528 -4.181 490 HG LEU 655 HG LEU 655 -1.626 9.859 -3.836 491 HD13 LEU 655 1HD LEU 655 -0.086 8.448 -5.073 492 HD21 LEU 655 2HD LEU 655 -2.860 8.698 -6.323 493 H GLY 656 H GLY 656 -5.849 10.167 -1.673 494 HA2 GLY 656 2HA GLY 656 -8.134 8.928 -1.700 495 HA3 GLY 656 1HA GLY 656 -7.124 7.594 -1.179 496 H ARG 657 H ARG 657 -9.235 9.579 -0.011 497 HA ARG 657 HA ARG 657 -7.823 10.709 2.158 498 HB2 ARG 657 2HB ARG 657 -10.808 10.201 2.018 499 HB3 ARG 657 1HB ARG 657 -9.928 11.378 2.984 500 HG2 ARG 657 2HG ARG 657 -9.281 12.571 0.942 501 HG3 ARG 657 1HG ARG 657 -10.228 11.417 0.001 502 HD2 ARG 657 2HD ARG 657 -12.226 12.114 1.373 503 HD3 ARG 657 1HD ARG 657 -11.224 13.411 2.028 504 HE ARG 657 HE ARG 657 -11.652 13.159 -0.879 505 HH12 ARG 657 1HH ARG 657 -12.469 16.514 1.153 506 HH21 ARG 657 2HH ARG 657 -12.676 16.423 -1.190 507 H SER 658 H SER 658 -8.575 10.100 4.424 508 HA SER 658 HA SER 658 -7.614 7.585 4.998 509 HB2 SER 658 2HB SER 658 -8.500 8.046 7.292 510 HB3 SER 658 1HB SER 658 -7.491 9.331 6.615 511 HG SER 658 HG SER 658 -9.231 10.393 7.358 512 H ASN 659 H ASN 659 -8.419 5.671 4.962 513 HA ASN 659 HA ASN 659 -11.216 5.114 5.445 514 HB2 ASN 659 2HB ASN 659 -11.143 5.507 3.064 515 HB3 ASN 659 1HB ASN 659 -9.789 4.370 2.918 516 HD21 ASN 659 2HD ASN 659 -12.172 2.069 1.983 517 H ALA 660 H ALA 660 -11.391 3.196 6.392 518 HA ALA 660 HA ALA 660 -8.925 1.614 6.501 519 HB1 ALA 660 1HB ALA 660 -9.400 1.045 8.827 520 HB2 ALA 660 2HB ALA 660 -10.845 2.055 8.784 521 HB3 ALA 660 3HB ALA 660 -9.249 2.789 8.615 522 H LYS 661 H LYS 661 -11.915 1.613 5.286 523 HA LYS 661 HA LYS 661 -12.811 -0.951 6.187 524 HB2 LYS 661 2HB LYS 661 -13.790 0.600 3.768 525 HB3 LYS 661 1HB LYS 661 -14.613 -0.687 4.636 526 HG2 LYS 661 2HG LYS 661 -14.087 2.079 5.630 527 HG3 LYS 661 1HG LYS 661 -15.638 1.375 5.172 528 HD2 LYS 661 2HD LYS 661 -15.212 -0.352 6.999 529 HD3 LYS 661 1HD LYS 661 -13.862 0.709 7.460 530 HE2 LYS 661 2HE LYS 661 -16.719 1.521 7.259 531 HE3 LYS 661 1HE LYS 661 -15.913 1.127 8.780 532 HZ1 LYS 661 3HZ LYS 661 -15.951 3.488 8.518 533 HZ2 LYS 661 1HZ LYS 661 -15.383 3.406 6.959 534 HZ3 LYS 661 2HZ LYS 661 -14.347 3.041 8.235 535 H LEU 662 H LEU 662 -11.699 -2.668 5.618 536 HA LEU 662 HA LEU 662 -10.137 -2.708 3.177 537 HB2 LEU 662 2HB LEU 662 -10.599 -4.795 5.251 538 HB3 LEU 662 1HB LEU 662 -9.452 -4.962 3.930 539 HG LEU 662 HG LEU 662 -9.333 -3.196 6.359 540 HD13 LEU 662 1HD LEU 662 -7.554 -5.366 5.294 541 HD21 LEU 662 2HD LEU 662 -7.521 -3.205 3.951 542 H SER 663 H SER 663 -10.413 -4.195 1.478 543 HA SER 663 HA SER 663 -13.001 -5.515 1.429 544 HB2 SER 663 2HB SER 663 -11.428 -4.310 -0.856 545 HB3 SER 663 1HB SER 663 -12.945 -5.193 -1.012 546 HG SER 663 HG SER 663 -12.969 -3.150 0.811 547 H TYR 664 H TYR 664 -13.021 -7.523 0.453 548 HA TYR 664 HA TYR 664 -10.390 -8.787 0.157 549 HB2 TYR 664 2HB TYR 664 -11.838 -9.416 2.175 550 HB3 TYR 664 1HB TYR 664 -12.971 -10.092 1.022 551 HD1 TYR 664 2HD TYR 664 -10.954 -11.385 -0.847 552 HD2 TYR 664 1HD TYR 664 -11.247 -11.256 3.354 553 HE1 TYR 664 2HE TYR 664 -9.777 -13.542 -0.732 554 HE2 TYR 664 1HE TYR 664 -10.063 -13.413 3.516 555 HH TYR 664 HH TYR 664 -9.659 -15.361 2.126 556 H TYR 665 H TYR 665 -10.126 -9.363 -1.936 557 HA TYR 665 HA TYR 665 -12.492 -9.727 -3.635 558 HB2 TYR 665 2HB TYR 665 -10.690 -8.026 -4.236 559 HB3 TYR 665 1HB TYR 665 -9.595 -9.393 -4.423 560 HD1 TYR 665 1HD TYR 665 -12.778 -7.993 -5.580 561 HD2 TYR 665 2HD TYR 665 -9.564 -10.622 -6.435 562 HE1 TYR 665 1HE TYR 665 -13.648 -8.278 -7.795 563 HE2 TYR 665 2HE TYR 665 -10.418 -10.934 -8.711 564 HH TYR 665 HH TYR 665 -12.541 -10.740 -9.896 565 H ASP 666 H ASP 666 -12.750 -11.701 -4.583 566 HA ASP 666 HA ASP 666 -11.710 -13.966 -3.334 567 HB2 ASP 666 2HB ASP 666 -13.722 -14.028 -4.766 568 HB3 ASP 666 1HB ASP 666 -12.717 -13.770 -6.185 569 H GLY 667 H GLY 667 -9.745 -14.734 -3.262 570 HA2 GLY 667 2HA GLY 667 -7.888 -15.681 -4.460 571 HA3 GLY 667 1HA GLY 667 -8.007 -14.328 -5.580 572 H MET 668 H MET 668 -8.217 -12.154 -3.839 573 HA MET 668 HA MET 668 -6.080 -12.274 -1.938 574 HB2 MET 668 2HB MET 668 -4.672 -10.586 -2.946 575 HB3 MET 668 1HB MET 668 -4.722 -12.037 -3.938 576 HG2 MET 668 2HG MET 668 -6.232 -9.469 -4.462 577 HG3 MET 668 1HG MET 668 -4.731 -9.938 -5.243 578 HE1 MET 668 3HE MET 668 -7.295 -9.008 -6.829 579 HE2 MET 668 1HE MET 668 -7.337 -10.191 -8.135 580 HE3 MET 668 2HE MET 668 -5.796 -9.510 -7.608 581 H ILE 669 H ILE 669 -5.908 -10.472 -0.637 582 HA ILE 669 HA ILE 669 -8.361 -9.028 -0.338 583 HB ILE 669 HB ILE 669 -5.781 -8.913 1.273 584 HG12 ILE 669 1HG ILE 669 -7.253 -9.953 3.110 585 HG23 ILE 669 2HG ILE 669 -6.820 -6.753 1.463 586 HD11 ILE 669 1HD ILE 669 -7.181 -12.230 2.301 587 H GLN 670 H GLN 670 -8.717 -6.810 -0.624 588 HA GLN 670 HA GLN 670 -6.570 -5.279 -1.865 589 HB2 GLN 670 2HB GLN 670 -9.319 -5.728 -3.037 590 HB3 GLN 670 1HB GLN 670 -8.339 -4.340 -3.469 591 HG2 GLN 670 2HG GLN 670 -6.674 -5.713 -4.472 592 HG3 GLN 670 1HG GLN 670 -7.421 -7.207 -3.860 593 HE21 GLN 670 2HE GLN 670 -9.659 -5.280 -6.663 594 H LEU 671 H LEU 671 -6.569 -3.182 -1.350 595 HA LEU 671 HA LEU 671 -8.733 -2.275 0.455 596 HB2 LEU 671 2HB LEU 671 -6.379 -2.676 1.406 597 HB3 LEU 671 1HB LEU 671 -5.852 -1.322 0.436 598 HG LEU 671 HG LEU 671 -7.756 -1.298 2.773 599 HD13 LEU 671 1HD LEU 671 -5.502 -1.582 3.444 600 HD21 LEU 671 2HD LEU 671 -6.827 1.062 1.134 601 H THR 672 H THR 672 -9.848 -0.612 -0.386 602 HA THR 672 HA THR 672 -8.668 0.885 -2.615 603 HB THR 672 HB THR 672 -11.602 0.621 -1.899 604 HG1 THR 672 1HG THR 672 -9.927 -1.212 -2.884 605 HG21 THR 672 2HG THR 672 -10.162 1.345 -4.466 606 H TYR 673 H TYR 673 -8.310 2.997 -2.151 607 HA TYR 673 HA TYR 673 -9.529 4.049 0.267 608 HB2 TYR 673 2HB TYR 673 -7.218 4.914 -1.337 609 HB3 TYR 673 1HB TYR 673 -8.006 6.096 -0.273 610 HD1 TYR 673 1HD TYR 673 -8.153 5.565 2.138 611 HD2 TYR 673 2HD TYR 673 -5.675 3.325 -0.479 612 HE1 TYR 673 1HE TYR 673 -6.926 4.722 4.058 613 HE2 TYR 673 2HE TYR 673 -4.419 2.462 1.466 614 HH TYR 673 HH TYR 673 -3.990 3.149 3.875 615 H ARG 674 H ARG 674 -9.911 6.524 0.086 616 HA ARG 674 HA ARG 674 -12.203 6.612 -1.642 617 HB2 ARG 674 2HB ARG 674 -11.300 8.589 0.430 618 HB3 ARG 674 1HB ARG 674 -12.824 8.651 -0.445 619 HG2 ARG 674 2HG ARG 674 -11.889 6.558 1.482 620 HG3 ARG 674 1HG ARG 674 -13.198 7.709 1.776 621 HD2 ARG 674 2HD ARG 674 -13.160 5.374 -0.167 622 HD3 ARG 674 1HD ARG 674 -14.179 5.556 1.253 623 HE ARG 674 HE ARG 674 -14.749 7.700 -0.386 624 HH12 ARG 674 1HH ARG 674 -16.317 4.215 -1.719 625 HH21 ARG 674 2HH ARG 674 -17.102 6.273 -2.571 626 H ASP 675 H ASP 675 -12.711 9.052 -2.263 627 HA ASP 675 HA ASP 675 -11.671 9.423 -4.738 628 HB2 ASP 675 2HB ASP 675 -12.756 11.620 -4.684 629 HB3 ASP 675 1HB ASP 675 -13.761 10.396 -3.921 630 H GLY 676 H GLY 676 -10.634 10.966 -1.816 631 HA2 GLY 676 2HA GLY 676 -8.659 12.117 -1.219 632 HA3 GLY 676 1HA GLY 676 -7.932 11.323 -2.602 633 H THR 677 H THR 677 -7.316 12.546 -4.234 634 HA THR 677 HA THR 677 -8.641 15.063 -4.618 635 HB THR 677 HB THR 677 -5.663 14.697 -4.370 636 HG1 THR 677 1HG THR 677 -7.639 15.477 -2.805 637 HG21 THR 677 2HG THR 677 -7.173 17.140 -5.346 638 HA PRO 678 HA PRO 678 -8.760 13.155 -8.661 639 HB2 PRO 678 2HB PRO 678 -10.107 15.047 -9.980 640 HB3 PRO 678 1HB PRO 678 -10.863 14.031 -8.788 641 HG2 PRO 678 2HG PRO 678 -9.786 16.793 -8.323 642 HG3 PRO 678 1HG PRO 678 -11.385 16.147 -7.901 643 HD2 PRO 678 2HD PRO 678 -9.440 16.259 -6.082 644 HD3 PRO 678 1HD PRO 678 -10.547 14.866 -6.145 645 H TYR 679 H TYR 679 -7.902 13.408 -10.679 646 HA TYR 679 HA TYR 679 -5.281 14.213 -10.692 647 HB2 TYR 679 2HB TYR 679 -7.020 13.753 -13.104 648 HB3 TYR 679 1HB TYR 679 -5.262 13.883 -13.150 649 HD1 TYR 679 2HD TYR 679 -3.871 12.143 -12.036 650 HD2 TYR 679 1HD TYR 679 -8.076 11.782 -12.351 651 HE1 TYR 679 2HE TYR 679 -3.699 9.762 -11.506 652 HE2 TYR 679 1HE TYR 679 -7.935 9.417 -11.828 653 HH TYR 679 HH TYR 679 -6.203 7.615 -11.955 654 H ASN 680 H ASN 680 -7.397 15.819 -13.042 655 HA ASN 680 HA ASN 680 -6.963 18.452 -12.188 656 HB2 ASN 680 2HB ASN 680 -5.278 19.260 -13.814 657 HB3 ASN 680 1HB ASN 680 -4.580 18.081 -12.716 658 HD21 ASN 680 2HD ASN 680 -3.801 15.788 -15.230 659 H ASN 681 H ASN 681 -8.923 16.589 -13.547 660 HA ASN 681 HA ASN 681 -9.180 17.971 -16.069 661 HB2 ASN 681 2HB ASN 681 -10.681 16.068 -16.703 662 HB3 ASN 681 1HB ASN 681 -9.017 15.591 -16.406 663 HD21 ASN 681 2HD ASN 681 -11.552 13.260 -14.829 664 H GLU 682 H GLU 682 -11.221 18.680 -16.682 665 HA GLU 682 HA GLU 682 -12.579 20.194 -14.772 666 HB2 GLU 682 2HB GLU 682 -12.506 20.705 -17.159 667 HB3 GLU 682 1HB GLU 682 -13.445 19.270 -17.505 668 HG2 GLU 682 2HG GLU 682 -15.340 20.234 -16.299 669 HG3 GLU 682 1HG GLU 682 -14.389 21.691 -15.995 670 H LYS 683 H LYS 683 -13.145 17.003 -15.994 671 HA LYS 683 HA LYS 683 -15.746 16.678 -14.871 672 HB2 LYS 683 2HB LYS 683 -14.919 15.430 -16.908 673 HB3 LYS 683 1HB LYS 683 -13.759 14.626 -15.879 674 HG2 LYS 683 2HG LYS 683 -16.685 14.355 -15.415 675 HG3 LYS 683 1HG LYS 683 -15.847 13.404 -16.640 676 HD2 LYS 683 2HD LYS 683 -14.356 12.551 -14.959 677 HD3 LYS 683 1HD LYS 683 -15.163 13.527 -13.727 678 HE2 LYS 683 2HE LYS 683 -15.969 11.210 -13.680 679 HE3 LYS 683 1HE LYS 683 -17.234 12.363 -14.126 680 HZ1 LYS 683 3HZ LYS 683 -16.944 11.736 -16.447 681 HZ2 LYS 683 1HZ LYS 683 -17.305 10.389 -15.520 682 HZ3 LYS 683 2HZ LYS 683 -15.726 10.647 -16.030 683 H ARG 684 H ARG 684 -12.454 16.379 -13.692 684 HA ARG 684 HA ARG 684 -11.523 15.767 -11.853 685 HB2 ARG 684 2HB ARG 684 -14.257 16.036 -10.679 686 HB3 ARG 684 1HB ARG 684 -12.792 15.789 -9.752 687 HG2 ARG 684 2HG ARG 684 -11.915 17.900 -10.544 688 HG3 ARG 684 1HG ARG 684 -13.378 18.148 -11.513 689 HD2 ARG 684 2HD ARG 684 -14.713 17.980 -9.551 690 HD3 ARG 684 1HD ARG 684 -13.258 17.737 -8.572 691 HE ARG 684 HE ARG 684 -12.752 20.062 -9.737 692 HH12 ARG 684 1HH ARG 684 -16.119 20.460 -7.541 693 HH21 ARG 684 2HH ARG 684 -14.790 22.348 -8.028 694 H THR 685 H THR 685 -10.897 13.896 -12.406 695 HA THR 685 HA THR 685 -12.490 11.606 -11.605 696 HB THR 685 HB THR 685 -9.855 11.745 -13.089 697 HG1 THR 685 1HG THR 685 -12.408 10.903 -14.005 698 HG21 THR 685 2HG THR 685 -10.035 9.776 -11.737 699 HA PRO 686 HA PRO 686 -10.198 12.087 -7.756 700 HB2 PRO 686 2HB PRO 686 -11.315 9.907 -6.561 701 HB3 PRO 686 1HB PRO 686 -12.029 11.513 -6.535 702 HG2 PRO 686 2HG PRO 686 -12.678 9.158 -8.237 703 HG3 PRO 686 1HG PRO 686 -13.772 10.380 -7.564 704 HD2 PRO 686 2HD PRO 686 -13.013 10.363 -10.145 705 HD3 PRO 686 1HD PRO 686 -13.345 11.870 -9.266 706 H ARG 687 H ARG 687 -8.390 11.211 -6.999 707 HA ARG 687 HA ARG 687 -7.310 8.873 -8.332 708 HB2 ARG 687 2HB ARG 687 -6.154 10.849 -6.378 709 HB3 ARG 687 1HB ARG 687 -5.289 9.430 -6.952 710 HG2 ARG 687 2HG ARG 687 -5.358 10.322 -9.205 711 HG3 ARG 687 1HG ARG 687 -6.277 11.713 -8.617 712 HD2 ARG 687 2HD ARG 687 -4.478 12.398 -7.196 713 HD3 ARG 687 1HD ARG 687 -3.590 10.920 -7.545 714 HE ARG 687 HE ARG 687 -3.113 11.678 -9.643 715 HH12 ARG 687 1HH ARG 687 -4.362 15.441 -8.654 716 HH21 ARG 687 2HH ARG 687 -2.738 15.113 -10.433 717 H ALA 688 H ALA 688 -7.439 6.940 -7.410 718 HA ALA 688 HA ALA 688 -7.784 6.864 -4.505 719 HB1 ALA 688 1HB ALA 688 -9.187 5.136 -6.550 720 HB2 ALA 688 2HB ALA 688 -9.934 6.396 -5.570 721 HB3 ALA 688 3HB ALA 688 -9.295 4.944 -4.800 722 H THR 689 H THR 689 -6.968 4.944 -3.575 723 HA THR 689 HA THR 689 -4.834 3.749 -5.193 724 HB THR 689 HB THR 689 -4.969 4.187 -2.201 725 HG1 THR 689 1HG THR 689 -4.613 6.076 -3.411 726 HG21 THR 689 2HG THR 689 -3.678 2.173 -2.796 727 H LEU 690 H LEU 690 -4.840 1.590 -5.445 728 HA LEU 690 HA LEU 690 -6.670 0.024 -3.786 729 HB2 LEU 690 2HB LEU 690 -7.255 0.328 -6.249 730 HB3 LEU 690 1HB LEU 690 -5.776 -0.518 -6.630 731 HG LEU 690 HG LEU 690 -7.688 -1.957 -6.916 732 HD13 LEU 690 1HD LEU 690 -7.148 -3.850 -5.526 733 HD21 LEU 690 2HD LEU 690 -8.313 -1.437 -4.036 734 H ILE 691 H ILE 691 -5.447 -1.069 -2.467 735 HA ILE 691 HA ILE 691 -2.768 -1.864 -3.332 736 HB ILE 691 HB ILE 691 -3.938 -1.885 -0.523 737 HG12 ILE 691 1HG ILE 691 -1.950 0.020 -1.753 738 HG23 ILE 691 2HG ILE 691 -1.599 -2.217 0.171 739 HD11 ILE 691 1HD ILE 691 -3.369 0.177 0.892 740 H THR 692 H THR 692 -2.537 -3.851 -3.968 741 HA THR 692 HA THR 692 -4.660 -5.794 -3.470 742 HB THR 692 HB THR 692 -2.334 -5.916 -5.317 743 HG1 THR 692 1HG THR 692 -4.478 -4.283 -5.314 744 HG21 THR 692 2HG THR 692 -5.084 -7.171 -5.407 745 H PHE 693 H PHE 693 -4.160 -7.231 -1.891 746 HA PHE 693 HA PHE 693 -1.386 -7.533 -1.040 747 HB2 PHE 693 2HB PHE 693 -3.981 -8.381 0.171 748 HB3 PHE 693 1HB PHE 693 -2.408 -8.623 0.922 749 HD1 PHE 693 1HD PHE 693 -4.684 -5.935 -0.293 750 HD2 PHE 693 2HD PHE 693 -1.469 -6.947 2.293 751 HE1 PHE 693 1HE PHE 693 -4.854 -3.749 0.780 752 HE2 PHE 693 2HE PHE 693 -1.627 -4.759 3.354 753 HZ PHE 693 HZ PHE 693 -3.320 -3.157 2.600 754 H LEU 694 H LEU 694 -0.319 -9.264 -1.541 755 HA LEU 694 HA LEU 694 -1.780 -11.590 -2.580 756 HB2 LEU 694 2HB LEU 694 1.035 -10.665 -3.211 757 HB3 LEU 694 1HB LEU 694 0.345 -12.170 -3.746 758 HG LEU 694 HG LEU 694 0.394 -10.707 -5.550 759 HD13 LEU 694 1HD LEU 694 -2.437 -10.865 -4.557 760 HD21 LEU 694 2HD LEU 694 0.585 -8.570 -4.441 761 H CYS 695 H CYS 695 -1.054 -13.571 -1.993 762 HA CYS 695 HA CYS 695 0.127 -13.695 0.642 763 HB2 CYS 695 2HB CYS 695 -1.878 -14.974 0.254 764 HB3 CYS 695 1HB CYS 695 -1.159 -15.765 -1.143 765 H ASP 696 H ASP 696 2.272 -13.970 0.850 766 HA ASP 696 HA ASP 696 3.506 -15.684 -1.128 767 HB2 ASP 696 2HB ASP 696 4.154 -13.405 -1.736 768 HB3 ASP 696 1HB ASP 696 4.863 -13.177 -0.136 769 H ARG 697 H ARG 697 5.098 -16.843 -0.634 770 HA ARG 697 HA ARG 697 5.241 -18.348 1.654 771 HB2 ARG 697 2HB ARG 697 7.371 -17.734 -0.366 772 HB3 ARG 697 1HB ARG 697 7.342 -19.130 0.710 773 HG2 ARG 697 2HG ARG 697 5.681 -20.168 -0.459 774 HG3 ARG 697 1HG ARG 697 5.005 -18.653 -1.058 775 HD2 ARG 697 2HD ARG 697 7.625 -19.857 -1.934 776 HD3 ARG 697 1HD ARG 697 6.106 -19.938 -2.836 777 HE ARG 697 HE ARG 697 6.667 -17.238 -2.255 778 HH12 ARG 697 1HH ARG 697 8.458 -18.716 -5.533 779 HH21 ARG 697 2HH ARG 697 8.204 -16.339 -5.201 780 H ASP 698 H ASP 698 7.368 -15.549 0.741 781 HA ASP 698 HA ASP 698 8.077 -15.274 3.538 782 HB2 ASP 698 2HB ASP 698 9.901 -16.648 2.673 783 HB3 ASP 698 1HB ASP 698 10.161 -15.506 1.355 784 H ALA 699 H ALA 699 7.512 -13.338 3.991 785 HA ALA 699 HA ALA 699 8.469 -11.124 2.376 786 HB1 ALA 699 1HB ALA 699 6.249 -10.095 2.194 787 HB2 ALA 699 2HB ALA 699 5.529 -11.522 2.937 788 HB3 ALA 699 3HB ALA 699 6.305 -11.647 1.361 789 H GLY 700 H GLY 700 6.124 -11.800 4.954 790 HA2 GLY 700 2HA GLY 700 6.651 -11.485 7.229 791 HA3 GLY 700 1HA GLY 700 7.754 -10.188 6.749 792 H VAL 701 H VAL 701 7.026 -8.251 7.037 793 HA VAL 701 HA VAL 701 4.229 -7.822 7.443 794 HB VAL 701 HB VAL 701 6.127 -6.605 8.578 795 HG13 VAL 701 1HG VAL 701 7.573 -6.076 6.837 796 HG21 VAL 701 2HG VAL 701 3.947 -4.921 7.369 797 H GLY 702 H GLY 702 6.486 -7.615 4.897 798 HA2 GLY 702 2HA GLY 702 5.899 -7.806 2.660 799 HA3 GLY 702 1HA GLY 702 4.279 -7.282 3.068 800 H PHE 703 H PHE 703 6.335 -6.578 1.136 801 HA PHE 703 HA PHE 703 6.519 -3.655 1.472 802 HB2 PHE 703 2HB PHE 703 7.883 -5.456 -0.554 803 HB3 PHE 703 1HB PHE 703 8.098 -3.724 -0.433 804 HD1 PHE 703 1HD PHE 703 8.862 -6.976 1.061 805 HD2 PHE 703 2HD PHE 703 9.524 -2.777 1.271 806 HE1 PHE 703 1HE PHE 703 10.771 -7.354 2.558 807 HE2 PHE 703 2HE PHE 703 11.438 -3.150 2.763 808 HZ PHE 703 HZ PHE 703 12.064 -5.439 3.411 809 HA PRO 704 HA PRO 704 3.382 -3.504 -1.838 810 HB2 PRO 704 2HB PRO 704 3.163 -0.817 -1.951 811 HB3 PRO 704 1HB PRO 704 2.413 -1.755 -0.655 812 HG2 PRO 704 2HG PRO 704 4.963 -0.199 -0.634 813 HG3 PRO 704 1HG PRO 704 3.707 -0.301 0.611 814 HD2 PRO 704 2HD PRO 704 6.035 -1.733 0.745 815 HD3 PRO 704 1HD PRO 704 4.510 -2.280 1.443 816 H GLU 705 H GLU 705 3.581 -3.192 -4.050 817 HA GLU 705 HA GLU 705 6.031 -1.877 -5.034 818 HB2 GLU 705 2HB GLU 705 6.002 -4.404 -5.141 819 HB3 GLU 705 1HB GLU 705 4.571 -4.282 -6.131 820 HG2 GLU 705 2HG GLU 705 6.565 -4.703 -7.456 821 HG3 GLU 705 1HG GLU 705 5.810 -3.161 -7.868 822 H TYR 706 H TYR 706 5.560 -0.257 -6.537 823 HA TYR 706 HA TYR 706 2.778 0.141 -7.192 824 HB2 TYR 706 2HB TYR 706 4.007 2.160 -6.668 825 HB3 TYR 706 1HB TYR 706 5.194 1.847 -7.921 826 HD1 TYR 706 2HD TYR 706 1.477 2.285 -7.550 827 HD2 TYR 706 1HD TYR 706 4.930 2.917 -9.969 828 HE1 TYR 706 2HE TYR 706 0.127 3.523 -9.129 829 HE2 TYR 706 1HE TYR 706 3.579 4.173 -11.564 830 HH TYR 706 HH TYR 706 0.496 5.301 -10.899 831 H GLN 707 H GLN 707 1.815 -0.583 -8.836 832 HA GLN 707 HA GLN 707 3.461 -1.643 -10.963 833 HB2 GLN 707 2HB GLN 707 0.668 -2.249 -10.109 834 HB3 GLN 707 1HB GLN 707 1.294 -2.821 -11.643 835 HG2 GLN 707 2HG GLN 707 2.473 -3.394 -8.939 836 HG3 GLN 707 1HG GLN 707 1.478 -4.505 -9.884 837 HE21 GLN 707 2HE GLN 707 5.401 -3.971 -10.777 838 H GLU 708 H GLU 708 0.181 -0.288 -10.976 839 HA GLU 708 HA GLU 708 1.010 1.700 -12.858 840 HB2 GLU 708 2HB GLU 708 -0.413 0.855 -14.703 841 HB3 GLU 708 1HB GLU 708 1.010 -0.128 -14.382 842 HG2 GLU 708 2HG GLU 708 -0.293 -1.788 -13.281 843 HG3 GLU 708 1HG GLU 708 -1.721 -0.764 -13.306 844 H GLU 709 H GLU 709 -0.206 3.379 -12.461 845 HA GLU 709 HA GLU 709 -3.001 3.098 -11.740 846 HB2 GLU 709 2HB GLU 709 -1.575 5.053 -10.977 847 HB3 GLU 709 1HB GLU 709 -1.434 5.544 -12.650 848 HG2 GLU 709 2HG GLU 709 -4.023 5.418 -11.098 849 HG3 GLU 709 1HG GLU 709 -3.065 6.870 -11.331 850 H ASP 710 H ASP 710 -4.544 2.999 -13.236 851 HA ASP 710 HA ASP 710 -4.120 3.759 -16.009 852 HB2 ASP 710 2HB ASP 710 -2.939 1.603 -15.920 853 HB3 ASP 710 1HB ASP 710 -4.392 0.852 -15.272 854 H ASN 711 H ASN 711 -5.967 2.130 -13.591 855 HA ASN 711 HA ASN 711 -8.465 2.400 -15.084 856 HB2 ASN 711 2HB ASN 711 -9.356 0.831 -13.388 857 HB3 ASN 711 1HB ASN 711 -7.944 0.180 -14.205 858 HD21 ASN 711 2HD ASN 711 -5.977 0.007 -11.305 859 H SER 712 H SER 712 -7.019 4.669 -13.701 860 HA SER 712 HA SER 712 -7.393 6.467 -12.601 861 HB2 SER 712 2HB SER 712 -9.684 7.263 -11.932 862 HB3 SER 712 1HB SER 712 -9.602 6.734 -13.598 863 HG SER 712 HG SER 712 -10.360 4.609 -12.360 864 H THR 713 H THR 713 -7.269 3.713 -11.286 865 HA THR 713 HA THR 713 -7.058 4.786 -8.604 866 HB THR 713 HB THR 713 -7.894 1.974 -9.415 867 HG1 THR 713 1HG THR 713 -9.283 4.287 -9.083 868 HG21 THR 713 2HG THR 713 -7.832 3.354 -6.732 869 H TYR 714 H TYR 714 -5.101 4.384 -7.715 870 HA TYR 714 HA TYR 714 -2.965 3.350 -9.368 871 HB2 TYR 714 2HB TYR 714 -2.988 4.490 -6.560 872 HB3 TYR 714 1HB TYR 714 -1.534 4.030 -7.429 873 HD1 TYR 714 1HD TYR 714 -4.487 6.315 -7.667 874 HD2 TYR 714 2HD TYR 714 -0.423 5.630 -8.720 875 HE1 TYR 714 1HE TYR 714 -4.356 8.574 -8.614 876 HE2 TYR 714 2HE TYR 714 -0.285 7.888 -9.664 877 HH TYR 714 HH TYR 714 -1.787 9.580 -10.574 878 H ASN 715 H ASN 715 -2.458 1.243 -9.358 879 HA ASN 715 HA ASN 715 -3.256 -0.379 -7.047 880 HB2 ASN 715 2HB ASN 715 -2.628 -0.940 -9.856 881 HB3 ASN 715 1HB ASN 715 -2.515 -2.288 -8.728 882 HD21 ASN 715 2HD ASN 715 -6.046 -2.613 -8.468 883 H PHE 716 H PHE 716 -1.970 -1.176 -5.724 884 HA PHE 716 HA PHE 716 0.916 -1.379 -6.294 885 HB2 PHE 716 2HB PHE 716 -0.479 -0.789 -3.668 886 HB3 PHE 716 1HB PHE 716 1.235 -1.132 -3.829 887 HD1 PHE 716 1HD PHE 716 -1.432 1.272 -4.724 888 HD2 PHE 716 2HD PHE 716 2.745 0.550 -4.407 889 HE1 PHE 716 1HE PHE 716 -0.994 3.665 -5.070 890 HE2 PHE 716 2HE PHE 716 3.185 2.938 -4.753 891 HZ PHE 716 HZ PHE 716 1.322 4.493 -5.087 892 H ARG 717 H ARG 717 1.856 -3.297 -5.708 893 HA ARG 717 HA ARG 717 -0.004 -5.411 -4.825 894 HB2 ARG 717 2HB ARG 717 2.753 -5.771 -5.977 895 HB3 ARG 717 1HB ARG 717 1.588 -7.036 -5.617 896 HG2 ARG 717 2HG ARG 717 0.074 -5.924 -7.192 897 HG3 ARG 717 1HG ARG 717 1.490 -4.910 -7.606 898 HD2 ARG 717 2HD ARG 717 1.324 -7.924 -7.882 899 HD3 ARG 717 1HD ARG 717 1.287 -6.778 -9.216 900 HE ARG 717 HE ARG 717 3.615 -6.645 -7.504 901 HH12 ARG 717 1HH ARG 717 3.701 -8.364 -11.172 902 HH21 ARG 717 2HH ARG 717 5.693 -7.987 -10.009 903 H TRP 718 H TRP 718 0.142 -6.036 -2.911 904 HA TRP 718 HA TRP 718 2.566 -5.398 -1.376 905 HB2 TRP 718 2HB TRP 718 0.304 -4.348 -0.752 906 HB3 TRP 718 1HB TRP 718 -0.193 -5.973 -0.322 907 HD1 TRP 718 HD TRP 718 1.749 -7.138 1.486 908 HE1 TRP 718 1HE TRP 718 2.593 -5.991 3.687 909 HE3 TRP 718 3HE TRP 718 0.605 -2.331 0.365 910 HZ2 TRP 718 2HZ TRP 718 2.713 -3.438 4.726 911 HZ3 TRP 718 3HZ TRP 718 1.102 -0.586 2.002 912 HH2 TRP 718 HH TRP 718 2.137 -1.130 4.136 913 H TYR 719 H TYR 719 3.723 -7.204 -1.172 914 HA TYR 719 HA TYR 719 2.361 -9.794 -1.087 915 HB2 TYR 719 2HB TYR 719 5.288 -9.046 -1.323 916 HB3 TYR 719 1HB TYR 719 4.713 -10.702 -1.181 917 HD1 TYR 719 1HD TYR 719 4.717 -7.696 -3.407 918 HD2 TYR 719 2HD TYR 719 3.822 -11.848 -3.044 919 HE1 TYR 719 1HE TYR 719 4.445 -7.849 -5.831 920 HE2 TYR 719 2HE TYR 719 3.545 -11.996 -5.467 921 HH TYR 719 HH TYR 719 3.011 -10.520 -7.341 922 H THR 720 H THR 720 1.622 -10.238 0.910 923 HA THR 720 HA THR 720 3.468 -9.786 3.116 924 HB THR 720 HB THR 720 1.903 -7.886 3.211 925 HG1 THR 720 1HG THR 720 2.247 -8.180 5.210 926 HG21 THR 720 2HG THR 720 -0.249 -9.994 3.468 927 H SER 721 H SER 721 3.436 -11.221 4.720 928 HA SER 721 HA SER 721 2.440 -13.792 4.244 929 HB2 SER 721 2HB SER 721 3.499 -12.519 6.764 930 HB3 SER 721 1HB SER 721 3.433 -14.248 6.400 931 HG SER 721 HG SER 721 5.184 -14.063 5.349 932 H TYR 722 H TYR 722 1.131 -10.940 5.822 933 HA TYR 722 HA TYR 722 -0.710 -12.255 7.513 934 HB2 TYR 722 2HB TYR 722 -0.677 -9.385 6.526 935 HB3 TYR 722 1HB TYR 722 -1.725 -10.047 7.743 936 HD1 TYR 722 2HD TYR 722 1.896 -9.512 7.051 937 HD2 TYR 722 1HD TYR 722 -1.111 -10.138 9.991 938 HE1 TYR 722 2HE TYR 722 3.538 -9.062 8.819 939 HE2 TYR 722 1HE TYR 722 0.521 -9.686 11.763 940 HH TYR 722 HH TYR 722 2.951 -9.773 12.052 941 H ALA 723 H ALA 723 -0.641 -11.822 4.183 942 HA ALA 723 HA ALA 723 -3.551 -11.868 3.918 943 HB1 ALA 723 1HB ALA 723 -3.136 -11.667 1.503 944 HB2 ALA 723 2HB ALA 723 -1.402 -11.789 1.790 945 HB3 ALA 723 3HB ALA 723 -2.300 -10.401 2.401 946 H CYS 724 H CYS 724 -1.419 -14.016 4.744 947 HA CYS 724 HA CYS 724 -2.396 -16.145 2.986 948 HB2 CYS 724 2HB CYS 724 0.023 -16.070 4.792 949 HB3 CYS 724 1HB CYS 724 -0.482 -17.461 3.836 950 HA PRO 725 HA PRO 725 -4.576 -17.567 6.600 951 HB2 PRO 725 2HB PRO 725 -5.922 -19.592 5.396 952 HB3 PRO 725 1HB PRO 725 -6.404 -17.906 5.222 953 HG2 PRO 725 2HG PRO 725 -4.970 -19.666 3.308 954 HG3 PRO 725 1HG PRO 725 -6.111 -18.354 2.987 955 HD2 PRO 725 2HD PRO 725 -3.331 -18.175 2.787 956 HD3 PRO 725 1HD PRO 725 -4.454 -16.809 2.904 Start of MODEL 13 1 H1 GLU 578 1HT GLU 578 -12.830 6.344 -10.944 2 H2 GLU 578 2HT GLU 578 -13.510 6.552 -12.470 3 H3 GLU 578 3HT GLU 578 -12.214 5.463 -12.252 4 HA GLU 578 HA GLU 578 -14.338 4.382 -12.503 5 HB2 GLU 578 2HB GLU 578 -12.509 3.318 -11.214 6 HB3 GLU 578 1HB GLU 578 -13.069 4.122 -9.758 7 HG2 GLU 578 2HG GLU 578 -13.740 1.744 -9.891 8 HG3 GLU 578 1HG GLU 578 -15.112 2.846 -9.780 9 H ALA 579 H ALA 579 -16.385 4.029 -11.771 10 HA ALA 579 HA ALA 579 -17.426 6.131 -10.000 11 HB1 ALA 579 1HB ALA 579 -18.795 4.848 -12.356 12 HB2 ALA 579 2HB ALA 579 -18.107 6.471 -12.321 13 HB3 ALA 579 3HB ALA 579 -19.488 6.075 -11.297 14 H GLU 580 H GLU 580 -17.443 2.703 -10.876 15 HA GLU 580 HA GLU 580 -18.827 2.157 -8.402 16 HB2 GLU 580 2HB GLU 580 -20.452 0.649 -9.518 17 HB3 GLU 580 1HB GLU 580 -20.689 2.347 -9.888 18 HG2 GLU 580 2HG GLU 580 -19.591 2.031 -12.053 19 HG3 GLU 580 1HG GLU 580 -19.352 0.327 -11.672 20 H ALA 581 H ALA 581 -17.951 0.503 -7.400 21 HA ALA 581 HA ALA 581 -16.618 -1.551 -8.996 22 HB1 ALA 581 1HB ALA 581 -15.001 -1.840 -7.154 23 HB2 ALA 581 2HB ALA 581 -15.764 -0.515 -6.279 24 HB3 ALA 581 3HB ALA 581 -14.937 -0.199 -7.803 25 H GLU 582 H GLU 582 -18.274 -2.954 -9.018 26 HA GLU 582 HA GLU 582 -19.196 -3.977 -6.426 27 HB2 GLU 582 2HB GLU 582 -20.947 -3.449 -8.825 28 HB3 GLU 582 1HB GLU 582 -21.462 -4.229 -7.342 29 HG2 GLU 582 2HG GLU 582 -20.977 -2.173 -6.105 30 HG3 GLU 582 1HG GLU 582 -20.503 -1.396 -7.613 31 H PHE 583 H PHE 583 -18.771 -6.023 -6.296 32 HA PHE 583 HA PHE 583 -18.712 -7.652 -8.730 33 HB2 PHE 583 2HB PHE 583 -16.983 -7.840 -6.249 34 HB3 PHE 583 1HB PHE 583 -17.033 -9.077 -7.496 35 HD1 PHE 583 2HD PHE 583 -16.227 -5.485 -6.917 36 HD2 PHE 583 1HD PHE 583 -15.653 -8.911 -9.369 37 HE1 PHE 583 2HE PHE 583 -14.465 -4.294 -8.158 38 HE2 PHE 583 1HE PHE 583 -13.893 -7.727 -10.614 39 HZ PHE 583 HZ PHE 583 -13.298 -5.414 -10.008 40 H LEU 584 H LEU 584 -19.136 -10.000 -8.210 41 HA LEU 584 HA LEU 584 -21.644 -10.245 -6.988 42 HB2 LEU 584 2HB LEU 584 -20.776 -11.780 -8.729 43 HB3 LEU 584 1HB LEU 584 -19.636 -12.432 -7.574 44 HG LEU 584 HG LEU 584 -21.547 -13.238 -6.206 45 HD13 LEU 584 1HD LEU 584 -23.763 -13.350 -7.239 46 HD21 LEU 584 2HD LEU 584 -21.464 -14.212 -9.057 47 H SER 585 H SER 585 -18.402 -10.946 -5.827 48 HA SER 585 HA SER 585 -19.512 -11.068 -3.141 49 HB2 SER 585 2HB SER 585 -17.082 -12.504 -4.220 50 HB3 SER 585 1HB SER 585 -17.615 -12.514 -2.536 51 HG SER 585 HG SER 585 -19.612 -13.335 -3.310 52 H ARG 586 H ARG 586 -19.260 -9.056 -2.577 53 HA ARG 586 HA ARG 586 -16.550 -7.931 -2.640 54 HB2 ARG 586 2HB ARG 586 -18.101 -6.625 -4.063 55 HB3 ARG 586 1HB ARG 586 -19.183 -6.430 -2.692 56 HG2 ARG 586 2HG ARG 586 -17.436 -5.184 -1.495 57 HG3 ARG 586 1HG ARG 586 -16.370 -5.344 -2.887 58 HD2 ARG 586 2HD ARG 586 -17.409 -3.169 -2.914 59 HD3 ARG 586 1HD ARG 586 -18.042 -4.130 -4.249 60 HE ARG 586 HE ARG 586 -19.694 -4.410 -1.975 61 HH12 ARG 586 1HH ARG 586 -20.466 -1.283 -4.413 62 HH21 ARG 586 2HH ARG 586 -22.081 -2.044 -2.880 63 H THR 587 H THR 587 -15.851 -8.423 -0.636 64 HA THR 587 HA THR 587 -17.728 -7.999 1.542 65 HB THR 587 HB THR 587 -14.997 -9.271 1.630 66 HG1 THR 587 1HG THR 587 -15.884 -11.043 0.999 67 HG21 THR 587 2HG THR 587 -15.797 -10.167 3.765 68 H GLU 588 H GLU 588 -17.606 -6.043 2.442 69 HA GLU 588 HA GLU 588 -15.003 -4.737 2.477 70 HB2 GLU 588 2HB GLU 588 -16.765 -3.536 1.224 71 HB3 GLU 588 1HB GLU 588 -17.760 -3.503 2.668 72 HG2 GLU 588 2HG GLU 588 -16.137 -2.102 3.784 73 HG3 GLU 588 1HG GLU 588 -15.073 -2.180 2.379 74 H GLY 589 H GLY 589 -14.081 -4.400 4.329 75 HA2 GLY 589 2HA GLY 589 -15.310 -5.437 6.740 76 HA3 GLY 589 1HA GLY 589 -13.650 -4.892 6.567 77 H ASP 590 H ASP 590 -13.814 -3.787 8.522 78 HA ASP 590 HA ASP 590 -15.218 -1.196 8.354 79 HB2 ASP 590 2HB ASP 590 -16.584 -2.737 9.749 80 HB3 ASP 590 1HB ASP 590 -15.185 -2.977 10.795 81 H ASN 591 H ASN 591 -13.031 -3.111 10.291 82 HA ASN 591 HA ASN 591 -11.377 -0.765 10.752 83 HB2 ASN 591 2HB ASN 591 -12.166 -2.371 12.629 84 HB3 ASN 591 1HB ASN 591 -11.128 -3.576 11.899 85 HD21 ASN 591 2HD ASN 591 -9.498 -1.845 14.777 86 H CYS 592 H CYS 592 -8.774 -1.945 10.711 87 HA CYS 592 HA CYS 592 -8.500 -2.612 7.985 88 HB2 CYS 592 2HB CYS 592 -6.978 -1.208 9.460 89 HB3 CYS 592 1HB CYS 592 -6.432 -2.737 10.150 90 H THR 593 H THR 593 -10.070 -4.505 9.382 91 HA THR 593 HA THR 593 -8.405 -6.889 9.101 92 HB THR 593 HB THR 593 -9.866 -7.922 10.854 93 HG1 THR 593 1HG THR 593 -11.467 -6.048 10.401 94 HG21 THR 593 2HG THR 593 -8.961 -6.732 12.804 95 H VAL 594 H VAL 594 -9.503 -8.449 7.874 96 HA VAL 594 HA VAL 594 -12.187 -7.700 7.067 97 HB VAL 594 HB VAL 594 -10.635 -6.956 5.304 98 HG13 VAL 594 1HG VAL 594 -9.499 -8.568 3.858 99 HG21 VAL 594 2HG VAL 594 -12.920 -7.543 4.720 100 H PHE 595 H PHE 595 -13.614 -9.293 7.075 101 HA PHE 595 HA PHE 595 -12.513 -11.961 6.928 102 HB2 PHE 595 2HB PHE 595 -13.314 -11.734 9.198 103 HB3 PHE 595 1HB PHE 595 -14.839 -11.045 8.632 104 HD1 PHE 595 2HD PHE 595 -12.812 -14.071 7.863 105 HD2 PHE 595 1HD PHE 595 -16.633 -12.479 8.804 106 HE1 PHE 595 2HE PHE 595 -13.756 -16.297 7.677 107 HE2 PHE 595 1HE PHE 595 -17.604 -14.722 8.624 108 HZ PHE 595 HZ PHE 595 -16.151 -16.650 8.069 109 H ASP 596 H ASP 596 -13.145 -13.047 5.332 110 HA ASP 596 HA ASP 596 -15.394 -12.024 3.745 111 HB2 ASP 596 2HB ASP 596 -13.083 -12.134 2.730 112 HB3 ASP 596 1HB ASP 596 -13.186 -13.862 2.926 113 H SER 597 H SER 597 -17.130 -13.159 3.688 114 HA SER 597 HA SER 597 -17.367 -15.543 5.191 115 HB2 SER 597 2HB SER 597 -19.164 -13.853 5.024 116 HB3 SER 597 1HB SER 597 -19.365 -14.247 3.321 117 HG SER 597 HG SER 597 -19.556 -16.224 5.308 118 H GLN 598 H GLN 598 -16.735 -14.920 1.813 119 HA GLN 598 HA GLN 598 -17.654 -17.506 0.894 120 HB2 GLN 598 2HB GLN 598 -15.859 -15.521 -0.538 121 HB3 GLN 598 1HB GLN 598 -16.674 -16.886 -1.256 122 HG2 GLN 598 2HG GLN 598 -17.740 -14.839 -1.926 123 HG3 GLN 598 1HG GLN 598 -18.832 -15.738 -0.879 124 HE21 GLN 598 2HE GLN 598 -17.243 -12.166 0.288 125 H ALA 599 H ALA 599 -14.704 -15.793 1.554 126 HA ALA 599 HA ALA 599 -12.918 -17.903 0.807 127 HB1 ALA 599 1HB ALA 599 -11.198 -16.372 1.525 128 HB2 ALA 599 2HB ALA 599 -12.358 -15.554 2.534 129 HB3 ALA 599 3HB ALA 599 -12.506 -15.393 0.793 130 H GLY 600 H GLY 600 -14.538 -16.938 3.697 131 HA2 GLY 600 2HA GLY 600 -14.745 -17.990 5.738 132 HA3 GLY 600 1HA GLY 600 -13.985 -19.399 5.010 133 H PHE 601 H PHE 601 -12.324 -16.352 5.029 134 HA PHE 601 HA PHE 601 -10.731 -17.206 7.331 135 HB2 PHE 601 2HB PHE 601 -9.601 -16.266 4.690 136 HB3 PHE 601 1HB PHE 601 -8.667 -16.382 6.167 137 HD1 PHE 601 2HD PHE 601 -8.513 -18.696 7.243 138 HD2 PHE 601 1HD PHE 601 -9.756 -18.047 3.247 139 HE1 PHE 601 2HE PHE 601 -7.955 -21.029 6.702 140 HE2 PHE 601 1HE PHE 601 -9.203 -20.370 2.689 141 HZ PHE 601 HZ PHE 601 -8.303 -21.863 4.417 142 H SER 602 H SER 602 -10.026 -15.612 8.639 143 HA SER 602 HA SER 602 -10.908 -12.918 7.987 144 HB2 SER 602 2HB SER 602 -10.859 -12.625 10.474 145 HB3 SER 602 1HB SER 602 -11.974 -13.883 9.934 146 HG SER 602 HG SER 602 -9.609 -14.101 11.372 147 H PHE 603 H PHE 603 -9.386 -11.344 7.855 148 HA PHE 603 HA PHE 603 -6.613 -12.097 8.484 149 HB2 PHE 603 2HB PHE 603 -7.629 -10.507 6.121 150 HB3 PHE 603 1HB PHE 603 -5.936 -10.720 6.528 151 HD1 PHE 603 2HD PHE 603 -8.969 -12.400 5.159 152 HD2 PHE 603 1HD PHE 603 -4.823 -12.803 6.122 153 HE1 PHE 603 2HE PHE 603 -8.846 -14.430 3.837 154 HE2 PHE 603 1HE PHE 603 -4.732 -14.848 4.779 155 HZ PHE 603 HZ PHE 603 -6.743 -15.660 3.638 156 H ASP 604 H ASP 604 -5.483 -10.650 9.692 157 HA ASP 604 HA ASP 604 -6.815 -8.075 10.262 158 HB2 ASP 604 2HB ASP 604 -4.674 -9.469 11.895 159 HB3 ASP 604 1HB ASP 604 -5.516 -7.997 12.332 160 H LEU 605 H LEU 605 -5.870 -6.454 9.104 161 HA LEU 605 HA LEU 605 -3.042 -6.778 8.681 162 HB2 LEU 605 2HB LEU 605 -4.994 -5.209 7.011 163 HB3 LEU 605 1HB LEU 605 -3.263 -5.246 6.734 164 HG LEU 605 HG LEU 605 -5.175 -7.577 6.488 165 HD13 LEU 605 1HD LEU 605 -5.198 -6.056 4.584 166 HD21 LEU 605 2HD LEU 605 -3.107 -8.394 7.448 167 H THR 606 H THR 606 -4.581 -5.591 10.899 168 HA THR 606 HA THR 606 -4.147 -2.857 11.040 169 HB THR 606 HB THR 606 -4.383 -3.291 13.579 170 HG1 THR 606 1HG THR 606 -4.744 -5.301 14.205 171 HG21 THR 606 2HG THR 606 -6.234 -2.564 12.172 172 HA PRO 607 HA PRO 607 0.049 -3.925 13.408 173 HB2 PRO 607 2HB PRO 607 1.340 -6.156 12.428 174 HB3 PRO 607 1HB PRO 607 0.388 -6.136 13.917 175 HG2 PRO 607 2HG PRO 607 -0.365 -7.094 11.198 176 HG3 PRO 607 1HG PRO 607 -0.762 -7.781 12.775 177 HD2 PRO 607 2HD PRO 607 -2.520 -6.320 11.335 178 HD3 PRO 607 1HD PRO 607 -2.539 -6.300 13.101 179 H LEU 608 H LEU 608 -0.751 -4.429 10.134 180 HA LEU 608 HA LEU 608 1.795 -3.911 8.955 181 HB2 LEU 608 2HB LEU 608 -1.001 -4.069 7.902 182 HB3 LEU 608 1HB LEU 608 0.344 -3.595 6.864 183 HG LEU 608 HG LEU 608 -0.258 -5.916 6.503 184 HD13 LEU 608 1HD LEU 608 2.055 -5.337 6.288 185 HD21 LEU 608 2HD LEU 608 -0.072 -7.604 8.198 186 H THR 609 H THR 609 -0.644 -1.948 10.257 187 HA THR 609 HA THR 609 -0.288 0.439 8.694 188 HB THR 609 HB THR 609 -1.231 0.131 11.554 189 HG1 THR 609 1HG THR 609 -2.811 -0.019 9.179 190 HG21 THR 609 2HG THR 609 -2.582 2.119 11.050 191 H LYS 610 H LYS 610 1.092 2.063 8.887 192 HA LYS 610 HA LYS 610 2.948 2.024 11.147 193 HB2 LYS 610 2HB LYS 610 3.689 2.365 8.249 194 HB3 LYS 610 1HB LYS 610 4.745 2.697 9.606 195 HG2 LYS 610 2HG LYS 610 4.620 0.328 10.256 196 HG3 LYS 610 1HG LYS 610 3.587 0.018 8.861 197 HD2 LYS 610 2HD LYS 610 5.869 -0.616 8.319 198 HD3 LYS 610 1HD LYS 610 5.395 0.815 7.399 199 HE2 LYS 610 2HE LYS 610 7.678 1.002 8.241 200 HE3 LYS 610 1HE LYS 610 6.637 2.244 8.922 201 HZ1 LYS 610 3HZ LYS 610 6.526 0.965 10.985 202 HZ2 LYS 610 1HZ LYS 610 8.125 1.246 10.550 203 HZ3 LYS 610 2HZ LYS 610 7.441 -0.270 10.318 204 H LYS 611 H LYS 611 3.610 3.956 11.857 205 HA LYS 611 HA LYS 611 2.201 6.366 11.280 206 HB2 LYS 611 2HB LYS 611 3.221 5.767 13.455 207 HB3 LYS 611 1HB LYS 611 4.773 5.798 12.713 208 HG2 LYS 611 2HG LYS 611 4.389 7.837 14.035 209 HG3 LYS 611 1HG LYS 611 4.719 8.158 12.339 210 HD2 LYS 611 2HD LYS 611 2.329 8.535 11.950 211 HD3 LYS 611 1HD LYS 611 1.993 8.173 13.648 212 HE2 LYS 611 2HE LYS 611 3.309 10.062 14.363 213 HE3 LYS 611 1HE LYS 611 3.820 10.377 12.705 214 HZ1 LYS 611 3HZ LYS 611 1.628 11.021 12.143 215 HZ2 LYS 611 1HZ LYS 611 2.072 11.859 13.521 216 HZ3 LYS 611 2HZ LYS 611 0.999 10.570 13.650 217 H ASP 612 H ASP 612 5.302 5.049 10.640 218 HA ASP 612 HA ASP 612 6.328 7.290 9.134 219 HB2 ASP 612 2HB ASP 612 7.889 5.859 10.344 220 HB3 ASP 612 1HB ASP 612 7.405 4.473 9.379 221 H ALA 613 H ALA 613 4.310 4.718 8.375 222 HA ALA 613 HA ALA 613 3.242 4.024 6.507 223 HB1 ALA 613 1HB ALA 613 2.906 6.430 6.110 224 HB2 ALA 613 2HB ALA 613 3.068 5.539 4.597 225 HB3 ALA 613 3HB ALA 613 4.415 6.490 5.211 226 H TYR 614 H TYR 614 3.652 3.614 4.015 227 HA TYR 614 HA TYR 614 6.322 2.424 3.741 228 HB2 TYR 614 2HB TYR 614 3.659 1.749 2.481 229 HB3 TYR 614 1HB TYR 614 5.183 1.027 1.988 230 HD1 TYR 614 2HD TYR 614 3.007 1.472 5.046 231 HD2 TYR 614 1HD TYR 614 5.865 -0.941 2.974 232 HE1 TYR 614 2HE TYR 614 2.737 -0.226 6.689 233 HE2 TYR 614 1HE TYR 614 5.598 -2.698 4.628 234 HH TYR 614 HH TYR 614 3.034 -2.582 6.946 235 H LYS 615 H LYS 615 7.610 3.259 2.148 236 HA LYS 615 HA LYS 615 6.282 5.004 0.219 237 HB2 LYS 615 2HB LYS 615 7.978 6.192 1.487 238 HB3 LYS 615 1HB LYS 615 9.223 5.068 1.083 239 HG2 LYS 615 2HG LYS 615 8.584 5.648 -1.341 240 HG3 LYS 615 1HG LYS 615 7.825 7.078 -0.640 241 HD2 LYS 615 2HD LYS 615 10.696 6.145 -0.335 242 HD3 LYS 615 1HD LYS 615 10.211 7.519 -1.339 243 HE2 LYS 615 2HE LYS 615 9.533 8.680 0.718 244 HE3 LYS 615 1HE LYS 615 10.037 7.278 1.669 245 HZ1 LYS 615 3HZ LYS 615 11.708 9.008 1.676 246 HZ2 LYS 615 1HZ LYS 615 11.842 8.969 -0.010 247 HZ3 LYS 615 2HZ LYS 615 12.278 7.635 0.931 248 H VAL 616 H VAL 616 6.213 4.412 -1.746 249 HA VAL 616 HA VAL 616 7.923 2.249 -2.784 250 HB VAL 616 HB VAL 616 5.451 3.498 -3.981 251 HG13 VAL 616 1HG VAL 616 6.866 2.417 -5.641 252 HG21 VAL 616 2HG VAL 616 4.832 2.408 -1.902 253 H GLU 617 H GLU 617 9.205 2.789 -4.606 254 HA GLU 617 HA GLU 617 9.172 5.649 -5.270 255 HB2 GLU 617 2HB GLU 617 11.595 3.951 -4.777 256 HB3 GLU 617 1HB GLU 617 11.645 5.559 -5.484 257 HG2 GLU 617 2HG GLU 617 10.678 6.483 -3.463 258 HG3 GLU 617 1HG GLU 617 10.587 4.869 -2.759 259 H THR 618 H THR 618 9.549 6.290 -7.277 260 HA THR 618 HA THR 618 10.094 4.238 -9.283 261 HB THR 618 HB THR 618 8.636 5.536 -10.843 262 HG1 THR 618 1HG THR 618 8.238 7.134 -8.541 263 HG21 THR 618 2HG THR 618 7.543 3.757 -9.490 264 H ASP 619 H ASP 619 10.525 6.141 -11.369 265 HA ASP 619 HA ASP 619 13.134 6.998 -10.710 266 HB2 ASP 619 2HB ASP 619 11.391 7.750 -13.067 267 HB3 ASP 619 1HB ASP 619 13.039 8.311 -12.861 268 H LYS 620 H LYS 620 10.129 8.799 -11.077 269 HA LYS 620 HA LYS 620 11.529 10.932 -9.707 270 HB2 LYS 620 2HB LYS 620 10.282 12.588 -11.112 271 HB3 LYS 620 1HB LYS 620 11.551 11.694 -11.907 272 HG2 LYS 620 2HG LYS 620 9.717 10.161 -12.784 273 HG3 LYS 620 1HG LYS 620 8.570 11.360 -12.192 274 HD2 LYS 620 2HD LYS 620 8.944 11.777 -14.505 275 HD3 LYS 620 1HD LYS 620 9.760 13.054 -13.594 276 HE2 LYS 620 2HE LYS 620 11.904 11.823 -13.836 277 HE3 LYS 620 1HE LYS 620 11.058 10.589 -14.750 278 HZ1 LYS 620 3HZ LYS 620 12.205 12.124 -16.173 279 HZ2 LYS 620 1HZ LYS 620 11.340 13.427 -15.557 280 HZ3 LYS 620 2HZ LYS 620 10.541 12.220 -16.433 281 H TYR 621 H TYR 621 8.970 8.973 -9.392 282 HA TYR 621 HA TYR 621 7.731 10.918 -7.578 283 HB2 TYR 621 2HB TYR 621 6.330 8.819 -9.257 284 HB3 TYR 621 1HB TYR 621 5.558 9.626 -7.904 285 HD1 TYR 621 1HD TYR 621 7.610 10.725 -10.752 286 HD2 TYR 621 2HD TYR 621 4.018 11.223 -8.627 287 HE1 TYR 621 1HE TYR 621 7.022 12.575 -12.279 288 HE2 TYR 621 2HE TYR 621 3.353 13.064 -10.129 289 HH TYR 621 HH TYR 621 4.377 14.679 -11.637 290 H GLU 622 H GLU 622 6.890 10.054 -5.655 291 HA GLU 622 HA GLU 622 7.623 7.316 -5.081 292 HB2 GLU 622 2HB GLU 622 8.457 7.948 -2.884 293 HB3 GLU 622 1HB GLU 622 9.379 8.790 -4.120 294 HG2 GLU 622 2HG GLU 622 7.932 10.772 -3.747 295 HG3 GLU 622 1HG GLU 622 7.157 9.888 -2.473 296 H PHE 623 H PHE 623 6.241 6.392 -3.652 297 HA PHE 623 HA PHE 623 3.806 7.957 -3.252 298 HB2 PHE 623 2HB PHE 623 3.991 4.986 -3.820 299 HB3 PHE 623 1HB PHE 623 2.509 5.879 -3.549 300 HD1 PHE 623 1HD PHE 623 5.362 5.457 -5.874 301 HD2 PHE 623 2HD PHE 623 1.434 7.008 -5.335 302 HE1 PHE 623 1HE PHE 623 5.194 5.868 -8.284 303 HE2 PHE 623 2HE PHE 623 1.272 7.425 -7.745 304 HZ PHE 623 HZ PHE 623 3.157 6.848 -9.225 305 H HIS 624 H HIS 624 3.274 8.129 -1.113 306 HA HIS 624 HA HIS 624 4.262 6.078 0.729 307 HB2 HIS 624 2HB HIS 624 3.255 8.876 1.251 308 HB3 HIS 624 1HB HIS 624 3.702 7.727 2.502 309 HD1 HIS 624 1HD HIS 624 6.232 7.363 2.924 310 HD2 HIS 624 2HD HIS 624 5.375 10.072 -0.116 311 HE1 HIS 624 1HE HIS 624 8.348 8.402 2.392 312 HE2 HIS 624 2HE HIS 624 7.884 9.834 0.356 313 H ILE 625 H ILE 625 2.821 4.719 1.437 314 HA ILE 625 HA ILE 625 0.033 5.553 1.591 315 HB ILE 625 HB ILE 625 -0.758 3.422 0.712 316 HG12 ILE 625 1HG ILE 625 2.163 2.741 0.414 317 HG23 ILE 625 2HG ILE 625 -0.124 3.596 -1.658 318 HD11 ILE 625 1HD ILE 625 1.443 0.567 -0.469 319 H ASN 626 H ASN 626 -1.105 4.307 3.107 320 HA ASN 626 HA ASN 626 0.592 2.764 4.949 321 HB2 ASN 626 2HB ASN 626 0.173 5.047 5.857 322 HB3 ASN 626 1HB ASN 626 -1.559 4.738 5.767 323 HD21 ASN 626 2HD ASN 626 -1.278 3.833 9.099 324 H VAL 627 H VAL 627 -0.573 1.122 6.108 325 HA VAL 627 HA VAL 627 -2.823 0.102 4.603 326 HB VAL 627 HB VAL 627 -1.445 -1.066 7.037 327 HG13 VAL 627 1HG VAL 627 -2.678 -3.122 6.473 328 HG21 VAL 627 2HG VAL 627 -0.526 -2.662 5.395 329 H CYS 628 H CYS 628 -4.520 1.220 4.918 330 HA CYS 628 HA CYS 628 -6.491 1.706 5.776 331 HB2 CYS 628 2HB CYS 628 -5.504 0.259 8.204 332 HB3 CYS 628 1HB CYS 628 -7.186 0.645 7.933 333 H GLY 629 H GLY 629 -7.382 3.322 6.828 334 HA2 GLY 629 2HA GLY 629 -7.572 5.194 8.285 335 HA3 GLY 629 1HA GLY 629 -6.040 4.737 9.001 336 HA PRO 630 HA PRO 630 -4.884 8.089 6.323 337 HB2 PRO 630 2HB PRO 630 -3.837 9.517 8.472 338 HB3 PRO 630 1HB PRO 630 -5.426 9.724 7.711 339 HG2 PRO 630 2HG PRO 630 -4.959 8.727 10.380 340 HG3 PRO 630 1HG PRO 630 -6.493 8.698 9.476 341 HD2 PRO 630 2HD PRO 630 -4.376 6.655 9.827 342 HD3 PRO 630 1HD PRO 630 -6.154 6.494 9.794 343 H VAL 631 H VAL 631 -2.830 8.886 5.806 344 HA VAL 631 HA VAL 631 -0.587 7.280 6.756 345 HB VAL 631 HB VAL 631 -1.156 7.258 4.291 346 HG13 VAL 631 1HG VAL 631 -1.888 9.472 3.908 347 HG21 VAL 631 2HG VAL 631 1.181 7.619 3.495 348 H SER 632 H SER 632 1.007 8.345 7.884 349 HA SER 632 HA SER 632 0.499 11.159 8.231 350 HB2 SER 632 2HB SER 632 0.646 9.887 10.247 351 HB3 SER 632 1HB SER 632 2.267 9.299 9.836 352 HG SER 632 HG SER 632 2.723 11.729 9.789 353 H VAL 633 H VAL 633 1.197 11.732 6.201 354 HA VAL 633 HA VAL 633 4.121 12.054 6.082 355 HB VAL 633 HB VAL 633 2.258 12.159 3.699 356 HG13 VAL 633 1HG VAL 633 4.381 13.317 3.411 357 HG21 VAL 633 2HG VAL 633 3.875 9.810 4.637 358 H GLY 634 H GLY 634 4.728 14.177 6.059 359 HA2 GLY 634 2HA GLY 634 2.677 16.167 6.445 360 HA3 GLY 634 1HA GLY 634 4.408 16.445 6.476 361 H ALA 635 H ALA 635 3.120 14.867 3.762 362 HA ALA 635 HA ALA 635 3.646 17.235 2.124 363 HB1 ALA 635 1HB ALA 635 4.919 15.222 1.547 364 HB2 ALA 635 2HB ALA 635 3.829 15.690 0.241 365 HB3 ALA 635 3HB ALA 635 3.409 14.343 1.297 366 H CYS 636 H CYS 636 1.116 15.153 3.205 367 HA CYS 636 HA CYS 636 -0.749 16.639 1.527 368 HB2 CYS 636 2HB CYS 636 -0.702 13.647 1.979 369 HB3 CYS 636 1HB CYS 636 -2.072 14.487 1.268 370 HA PRO 637 HA PRO 637 -3.126 17.387 5.160 371 HB2 PRO 637 2HB PRO 637 -5.596 16.254 4.458 372 HB3 PRO 637 1HB PRO 637 -5.097 17.920 4.154 373 HG2 PRO 637 2HG PRO 637 -5.034 15.560 2.326 374 HG3 PRO 637 1HG PRO 637 -5.406 17.253 1.960 375 HD2 PRO 637 2HD PRO 637 -3.064 16.215 1.301 376 HD3 PRO 637 1HD PRO 637 -3.162 17.867 1.944 377 HA PRO 638 HA PRO 638 -2.590 13.792 7.771 378 HB2 PRO 638 2HB PRO 638 -4.900 15.077 9.136 379 HB3 PRO 638 1HB PRO 638 -3.400 14.433 9.818 380 HG2 PRO 638 2HG PRO 638 -3.695 17.043 9.521 381 HG3 PRO 638 1HG PRO 638 -2.146 16.272 9.132 382 HD2 PRO 638 2HD PRO 638 -4.236 17.341 7.301 383 HD3 PRO 638 1HD PRO 638 -2.475 17.253 7.104 384 H ASP 639 H ASP 639 -5.776 14.657 6.527 385 HA ASP 639 HA ASP 639 -6.937 12.133 7.333 386 HB2 ASP 639 2HB ASP 639 -8.988 12.861 6.266 387 HB3 ASP 639 1HB ASP 639 -8.369 14.154 7.297 388 H SER 640 H SER 640 -4.790 12.708 5.006 389 HA SER 640 HA SER 640 -6.061 11.087 2.978 390 HB2 SER 640 2HB SER 640 -4.598 12.945 2.276 391 HB3 SER 640 1HB SER 640 -3.248 12.209 3.139 392 HG SER 640 HG SER 640 -4.584 11.260 0.816 393 H GLY 641 H GLY 641 -5.478 8.976 2.500 394 HA2 GLY 641 2HA GLY 641 -3.928 7.561 4.573 395 HA3 GLY 641 1HA GLY 641 -5.154 6.826 3.543 396 H ALA 642 H ALA 642 -3.694 8.641 1.403 397 HA ALA 642 HA ALA 642 -1.194 7.251 0.963 398 HB1 ALA 642 1HB ALA 642 -2.713 5.615 -0.003 399 HB2 ALA 642 2HB ALA 642 -1.877 6.471 -1.281 400 HB3 ALA 642 3HB ALA 642 -3.548 6.894 -0.923 401 H CYS 643 H CYS 643 0.153 8.576 0.168 402 HA CYS 643 HA CYS 643 -0.776 10.927 -1.302 403 HB2 CYS 643 2HB CYS 643 -0.635 11.722 0.930 404 HB3 CYS 643 1HB CYS 643 0.885 10.887 1.205 405 H GLN 644 H GLN 644 0.422 11.274 -3.021 406 HA GLN 644 HA GLN 644 3.090 10.069 -3.117 407 HB2 GLN 644 2HB GLN 644 2.973 10.399 -5.487 408 HB3 GLN 644 1HB GLN 644 1.822 9.147 -4.944 409 HG2 GLN 644 2HG GLN 644 0.044 10.778 -5.198 410 HG3 GLN 644 1HG GLN 644 1.224 12.018 -5.588 411 HE21 GLN 644 2HE GLN 644 1.882 10.002 -8.717 412 H VAL 645 H VAL 645 4.764 11.264 -3.863 413 HA VAL 645 HA VAL 645 4.233 14.022 -4.409 414 HB VAL 645 HB VAL 645 4.819 14.044 -2.018 415 HG13 VAL 645 1HG VAL 645 7.340 12.625 -2.773 416 HG21 VAL 645 2HG VAL 645 5.638 15.918 -3.352 417 H SER 646 H SER 646 5.336 14.766 -5.981 418 HA SER 646 HA SER 646 7.032 12.994 -7.473 419 HB2 SER 646 2HB SER 646 5.528 14.502 -8.682 420 HB3 SER 646 1HB SER 646 6.275 15.896 -7.901 421 HG SER 646 HG SER 646 7.080 15.467 -10.071 422 H ARG 647 H ARG 647 9.117 12.797 -7.030 423 HA ARG 647 HA ARG 647 10.326 14.561 -5.147 424 HB2 ARG 647 2HB ARG 647 12.268 13.140 -5.304 425 HB3 ARG 647 1HB ARG 647 10.840 12.128 -5.250 426 HG2 ARG 647 2HG ARG 647 11.047 11.990 -7.778 427 HG3 ARG 647 1HG ARG 647 12.646 12.706 -7.573 428 HD2 ARG 647 2HD ARG 647 11.637 10.110 -6.431 429 HD3 ARG 647 1HD ARG 647 12.896 10.341 -7.645 430 HE ARG 647 HE ARG 647 13.933 11.662 -5.620 431 HH12 ARG 647 1HH ARG 647 13.245 7.852 -4.342 432 HH21 ARG 647 2HH ARG 647 14.781 9.266 -3.169 433 H SER 648 H SER 648 9.971 14.417 -8.484 434 HA SER 648 HA SER 648 12.090 16.227 -9.156 435 HB2 SER 648 2HB SER 648 9.809 15.016 -10.635 436 HB3 SER 648 1HB SER 648 10.903 16.095 -11.459 437 HG SER 648 HG SER 648 12.347 14.370 -10.085 438 H ASP 649 H ASP 649 8.559 16.488 -8.855 439 HA ASP 649 HA ASP 649 8.767 19.318 -9.578 440 HB2 ASP 649 2HB ASP 649 6.293 17.673 -9.064 441 HB3 ASP 649 1HB ASP 649 6.323 19.321 -9.657 442 H ARG 650 H ARG 650 8.459 17.438 -6.826 443 HA ARG 650 HA ARG 650 8.163 17.834 -4.621 444 HB2 ARG 650 2HB ARG 650 8.712 20.686 -5.462 445 HB3 ARG 650 1HB ARG 650 8.296 20.308 -3.802 446 HG2 ARG 650 2HG ARG 650 10.694 20.522 -4.056 447 HG3 ARG 650 1HG ARG 650 10.284 18.864 -3.639 448 HD2 ARG 650 2HD ARG 650 10.533 18.263 -6.028 449 HD3 ARG 650 1HD ARG 650 11.011 19.923 -6.375 450 HE ARG 650 HE ARG 650 12.592 18.777 -4.312 451 HH12 ARG 650 1HH ARG 650 13.899 18.428 -8.112 452 HH21 ARG 650 2HH ARG 650 15.336 18.029 -6.348 453 H LYS 651 H LYS 651 6.098 17.945 -6.622 454 HA LYS 651 HA LYS 651 3.818 19.286 -5.387 455 HB2 LYS 651 2HB LYS 651 4.226 17.576 -7.826 456 HB3 LYS 651 1HB LYS 651 2.660 18.142 -7.296 457 HG2 LYS 651 2HG LYS 651 4.908 19.985 -7.893 458 HG3 LYS 651 1HG LYS 651 3.882 19.355 -9.177 459 HD2 LYS 651 2HD LYS 651 1.936 20.185 -7.845 460 HD3 LYS 651 1HD LYS 651 3.087 21.031 -6.796 461 HE2 LYS 651 2HE LYS 651 3.955 22.214 -8.782 462 HE3 LYS 651 1HE LYS 651 2.754 21.334 -9.742 463 HZ1 LYS 651 3HZ LYS 651 2.118 23.281 -7.587 464 HZ2 LYS 651 1HZ LYS 651 1.005 22.429 -8.513 465 HZ3 LYS 651 2HZ LYS 651 1.994 23.569 -9.242 466 H SER 652 H SER 652 2.306 18.090 -4.184 467 HA SER 652 HA SER 652 2.493 15.215 -4.372 468 HB2 SER 652 2HB SER 652 2.147 15.020 -1.921 469 HB3 SER 652 1HB SER 652 3.714 15.627 -2.413 470 HG SER 652 HG SER 652 1.878 16.825 -0.843 471 H TRP 653 H TRP 653 0.657 14.070 -4.071 472 HA TRP 653 HA TRP 653 -1.800 15.681 -4.139 473 HB2 TRP 653 2HB TRP 653 -1.078 13.372 -5.930 474 HB3 TRP 653 1HB TRP 653 -2.621 14.197 -5.953 475 HD1 TRP 653 HD TRP 653 -2.598 16.746 -7.023 476 HE1 TRP 653 1HE TRP 653 -0.960 17.848 -8.703 477 HE3 TRP 653 3HE TRP 653 1.306 13.497 -6.622 478 HZ2 TRP 653 2HZ TRP 653 1.616 17.378 -9.708 479 HZ3 TRP 653 3HZ TRP 653 3.306 13.857 -7.921 480 HH2 TRP 653 HH TRP 653 3.470 15.810 -9.479 481 H ASN 654 H ASN 654 -3.710 14.473 -3.642 482 HA ASN 654 HA ASN 654 -3.256 12.489 -1.529 483 HB2 ASN 654 2HB ASN 654 -4.799 14.609 -1.306 484 HB3 ASN 654 1HB ASN 654 -5.808 13.775 -2.430 485 HD21 ASN 654 2HD ASN 654 -6.887 13.205 1.061 486 H LEU 655 H LEU 655 -3.494 10.387 -2.114 487 HA LEU 655 HA LEU 655 -4.852 9.815 -4.642 488 HB2 LEU 655 2HB LEU 655 -3.048 8.088 -2.971 489 HB3 LEU 655 1HB LEU 655 -3.689 7.691 -4.551 490 HG LEU 655 HG LEU 655 -1.700 9.837 -3.886 491 HD13 LEU 655 1HD LEU 655 -1.490 7.314 -5.492 492 HD21 LEU 655 2HD LEU 655 -2.995 9.154 -6.513 493 H GLY 656 H GLY 656 -5.736 10.050 -1.597 494 HA2 GLY 656 2HA GLY 656 -8.145 8.961 -1.741 495 HA3 GLY 656 1HA GLY 656 -7.166 7.563 -1.330 496 H ARG 657 H ARG 657 -9.221 9.428 0.095 497 HA ARG 657 HA ARG 657 -7.607 10.389 2.198 498 HB2 ARG 657 2HB ARG 657 -9.671 11.176 3.188 499 HB3 ARG 657 1HB ARG 657 -9.552 11.629 1.486 500 HG2 ARG 657 2HG ARG 657 -11.063 9.944 0.899 501 HG3 ARG 657 1HG ARG 657 -11.283 9.401 2.593 502 HD2 ARG 657 2HD ARG 657 -13.133 10.805 2.101 503 HD3 ARG 657 1HD ARG 657 -12.012 11.864 2.956 504 HE ARG 657 HE ARG 657 -12.570 11.844 0.071 505 HH12 ARG 657 1HH ARG 657 -10.856 14.966 2.050 506 HH21 ARG 657 2HH ARG 657 -11.444 15.149 -0.273 507 H SER 658 H SER 658 -8.384 9.811 4.512 508 HA SER 658 HA SER 658 -7.420 7.287 4.961 509 HB2 SER 658 2HB SER 658 -8.174 7.659 7.296 510 HB3 SER 658 1HB SER 658 -7.245 8.994 6.619 511 HG SER 658 HG SER 658 -9.707 8.936 7.608 512 H ASN 659 H ASN 659 -8.218 5.331 5.195 513 HA ASN 659 HA ASN 659 -11.040 4.830 5.506 514 HB2 ASN 659 2HB ASN 659 -10.853 5.249 3.125 515 HB3 ASN 659 1HB ASN 659 -9.529 4.079 3.035 516 HD21 ASN 659 2HD ASN 659 -11.928 1.889 1.936 517 H ALA 660 H ALA 660 -11.326 2.860 6.378 518 HA ALA 660 HA ALA 660 -8.928 1.146 6.653 519 HB1 ALA 660 1HB ALA 660 -9.725 0.429 8.840 520 HB2 ALA 660 2HB ALA 660 -11.136 1.451 8.692 521 HB3 ALA 660 3HB ALA 660 -9.522 2.183 8.817 522 H LYS 661 H LYS 661 -11.795 1.396 5.180 523 HA LYS 661 HA LYS 661 -12.895 -1.169 5.772 524 HB2 LYS 661 2HB LYS 661 -13.521 0.534 3.336 525 HB3 LYS 661 1HB LYS 661 -14.519 -0.690 4.091 526 HG2 LYS 661 2HG LYS 661 -13.876 2.005 5.211 527 HG3 LYS 661 1HG LYS 661 -15.404 1.478 4.520 528 HD2 LYS 661 2HD LYS 661 -15.497 -0.259 6.343 529 HD3 LYS 661 1HD LYS 661 -14.068 0.551 7.027 530 HE2 LYS 661 2HE LYS 661 -15.286 2.643 7.167 531 HE3 LYS 661 1HE LYS 661 -16.686 1.847 6.443 532 HZ1 LYS 661 3HZ LYS 661 -16.877 0.439 8.412 533 HZ2 LYS 661 1HZ LYS 661 -16.927 2.043 8.859 534 HZ3 LYS 661 2HZ LYS 661 -15.525 1.167 9.108 535 H LEU 662 H LEU 662 -11.643 -2.859 5.242 536 HA LEU 662 HA LEU 662 -10.068 -2.931 2.809 537 HB2 LEU 662 2HB LEU 662 -10.670 -5.008 4.899 538 HB3 LEU 662 1HB LEU 662 -9.634 -5.315 3.517 539 HG LEU 662 HG LEU 662 -9.107 -3.408 5.807 540 HD13 LEU 662 1HD LEU 662 -7.864 -6.031 5.006 541 HD21 LEU 662 2HD LEU 662 -7.402 -4.141 3.426 542 H SER 663 H SER 663 -10.515 -4.222 1.007 543 HA SER 663 HA SER 663 -13.216 -5.311 0.966 544 HB2 SER 663 2HB SER 663 -11.629 -4.093 -1.299 545 HB3 SER 663 1HB SER 663 -13.236 -4.811 -1.444 546 HG SER 663 HG SER 663 -14.069 -3.206 -0.185 547 H TYR 664 H TYR 664 -13.396 -7.368 0.505 548 HA TYR 664 HA TYR 664 -10.990 -8.754 -0.432 549 HB2 TYR 664 2HB TYR 664 -12.050 -9.243 1.915 550 HB3 TYR 664 1HB TYR 664 -13.294 -10.058 0.987 551 HD1 TYR 664 2HD TYR 664 -11.957 -11.649 -1.017 552 HD2 TYR 664 1HD TYR 664 -10.640 -10.697 2.929 553 HE1 TYR 664 2HE TYR 664 -10.563 -13.655 -0.994 554 HE2 TYR 664 1HE TYR 664 -9.244 -12.683 2.935 555 HH TYR 664 HH TYR 664 -9.140 -14.834 1.857 556 H TYR 665 H TYR 665 -11.185 -9.694 -2.313 557 HA TYR 665 HA TYR 665 -13.826 -10.204 -3.413 558 HB2 TYR 665 2HB TYR 665 -11.332 -9.259 -4.856 559 HB3 TYR 665 1HB TYR 665 -12.832 -9.740 -5.650 560 HD1 TYR 665 1HD TYR 665 -14.927 -8.531 -4.943 561 HD2 TYR 665 2HD TYR 665 -11.038 -7.050 -4.200 562 HE1 TYR 665 1HE TYR 665 -15.855 -6.350 -4.655 563 HE2 TYR 665 2HE TYR 665 -11.942 -4.788 -3.904 564 HH TYR 665 HH TYR 665 -13.904 -3.511 -4.536 565 H ASP 666 H ASP 666 -13.897 -12.288 -4.401 566 HA ASP 666 HA ASP 666 -12.462 -14.293 -3.207 567 HB2 ASP 666 2HB ASP 666 -14.478 -14.794 -4.464 568 HB3 ASP 666 1HB ASP 666 -13.680 -14.374 -5.974 569 H GLY 667 H GLY 667 -10.471 -14.912 -3.184 570 HA2 GLY 667 2HA GLY 667 -8.610 -15.705 -4.660 571 HA3 GLY 667 1HA GLY 667 -8.738 -14.117 -5.412 572 H MET 668 H MET 668 -8.656 -12.232 -3.707 573 HA MET 668 HA MET 668 -6.826 -12.689 -1.527 574 HB2 MET 668 2HB MET 668 -5.970 -11.111 -3.975 575 HB3 MET 668 1HB MET 668 -5.171 -10.984 -2.424 576 HG2 MET 668 2HG MET 668 -5.397 -13.630 -3.820 577 HG3 MET 668 1HG MET 668 -4.150 -12.483 -4.283 578 HE1 MET 668 3HE MET 668 -4.311 -14.593 -0.138 579 HE2 MET 668 1HE MET 668 -5.576 -14.747 -1.345 580 HE3 MET 668 2HE MET 668 -5.371 -13.233 -0.428 581 H ILE 669 H ILE 669 -5.995 -10.138 -1.030 582 HA ILE 669 HA ILE 669 -8.554 -8.798 -0.467 583 HB ILE 669 HB ILE 669 -5.867 -8.436 0.909 584 HG12 ILE 669 1HG ILE 669 -8.284 -9.983 1.870 585 HG23 ILE 669 2HG ILE 669 -7.325 -6.484 1.088 586 HD11 ILE 669 1HD ILE 669 -5.543 -9.744 3.078 587 H GLN 670 H GLN 670 -8.855 -6.694 -1.138 588 HA GLN 670 HA GLN 670 -6.567 -5.229 -2.190 589 HB2 GLN 670 2HB GLN 670 -9.259 -5.531 -3.548 590 HB3 GLN 670 1HB GLN 670 -8.101 -4.274 -3.956 591 HG2 GLN 670 2HG GLN 670 -6.533 -5.820 -4.756 592 HG3 GLN 670 1HG GLN 670 -7.457 -7.230 -4.165 593 HE21 GLN 670 2HE GLN 670 -9.866 -6.073 -6.903 594 H LEU 671 H LEU 671 -6.595 -3.070 -1.705 595 HA LEU 671 HA LEU 671 -8.876 -2.264 -0.040 596 HB2 LEU 671 2HB LEU 671 -6.678 -2.641 1.185 597 HB3 LEU 671 1HB LEU 671 -6.011 -1.309 0.283 598 HG LEU 671 HG LEU 671 -8.179 -1.170 2.398 599 HD13 LEU 671 1HD LEU 671 -6.509 0.048 3.698 600 HD21 LEU 671 2HD LEU 671 -7.997 1.267 2.265 601 H THR 672 H THR 672 -9.957 -0.573 -0.709 602 HA THR 672 HA THR 672 -8.920 0.999 -2.955 603 HB THR 672 HB THR 672 -11.774 0.811 -1.954 604 HG1 THR 672 1HG THR 672 -11.276 -1.225 -2.456 605 HG21 THR 672 2HG THR 672 -10.587 1.494 -4.652 606 H TYR 673 H TYR 673 -8.322 3.038 -2.343 607 HA TYR 673 HA TYR 673 -9.549 4.120 0.065 608 HB2 TYR 673 2HB TYR 673 -7.166 4.925 -1.475 609 HB3 TYR 673 1HB TYR 673 -7.942 6.116 -0.403 610 HD1 TYR 673 1HD TYR 673 -8.217 5.442 2.000 611 HD2 TYR 673 2HD TYR 673 -5.593 3.386 -0.628 612 HE1 TYR 673 1HE TYR 673 -7.035 4.526 3.927 613 HE2 TYR 673 2HE TYR 673 -4.390 2.455 1.313 614 HH TYR 673 HH TYR 673 -4.059 3.020 3.761 615 H ARG 674 H ARG 674 -9.883 6.678 -0.104 616 HA ARG 674 HA ARG 674 -12.087 6.652 -1.956 617 HB2 ARG 674 2HB ARG 674 -11.545 8.309 0.434 618 HB3 ARG 674 1HB ARG 674 -13.028 8.454 -0.547 619 HG2 ARG 674 2HG ARG 674 -11.976 6.170 1.065 620 HG3 ARG 674 1HG ARG 674 -13.423 7.106 1.464 621 HD2 ARG 674 2HD ARG 674 -14.491 6.235 -0.637 622 HD3 ARG 674 1HD ARG 674 -13.043 5.275 -0.930 623 HE ARG 674 HE ARG 674 -14.414 4.852 1.574 624 HH12 ARG 674 1HH ARG 674 -14.455 2.142 -1.451 625 HH21 ARG 674 2HH ARG 674 -15.312 1.547 0.641 626 H ASP 675 H ASP 675 -12.804 9.115 -2.281 627 HA ASP 675 HA ASP 675 -11.731 9.761 -4.700 628 HB2 ASP 675 2HB ASP 675 -12.988 11.824 -4.503 629 HB3 ASP 675 1HB ASP 675 -13.898 10.495 -3.803 630 H GLY 676 H GLY 676 -10.869 11.199 -1.638 631 HA2 GLY 676 2HA GLY 676 -9.079 12.556 -0.942 632 HA3 GLY 676 1HA GLY 676 -8.156 11.700 -2.163 633 H THR 677 H THR 677 -7.375 12.863 -3.802 634 HA THR 677 HA THR 677 -8.543 15.463 -4.324 635 HB THR 677 HB THR 677 -5.640 14.630 -4.203 636 HG1 THR 677 1HG THR 677 -7.257 15.737 -2.467 637 HG21 THR 677 2HG THR 677 -5.945 16.061 -6.214 638 HA PRO 678 HA PRO 678 -8.935 13.695 -8.470 639 HB2 PRO 678 2HB PRO 678 -9.599 15.821 -9.878 640 HB3 PRO 678 1HB PRO 678 -10.666 15.169 -8.665 641 HG2 PRO 678 2HG PRO 678 -8.758 17.459 -8.277 642 HG3 PRO 678 1HG PRO 678 -10.499 17.410 -7.915 643 HD2 PRO 678 2HD PRO 678 -8.705 16.962 -5.978 644 HD3 PRO 678 1HD PRO 678 -10.207 16.015 -6.081 645 H TYR 679 H TYR 679 -7.946 13.572 -10.422 646 HA TYR 679 HA TYR 679 -5.204 13.608 -10.624 647 HB2 TYR 679 2HB TYR 679 -7.174 14.001 -12.879 648 HB3 TYR 679 1HB TYR 679 -5.457 13.818 -13.145 649 HD1 TYR 679 1HD TYR 679 -8.376 12.053 -11.598 650 HD2 TYR 679 2HD TYR 679 -4.650 11.725 -13.599 651 HE1 TYR 679 1HE TYR 679 -8.750 9.648 -11.893 652 HE2 TYR 679 2HE TYR 679 -4.999 9.312 -13.883 653 HH TYR 679 HH TYR 679 -6.282 7.483 -13.004 654 H ASN 680 H ASN 680 -6.695 15.752 -12.879 655 HA ASN 680 HA ASN 680 -5.921 18.277 -12.048 656 HB2 ASN 680 2HB ASN 680 -3.913 18.700 -13.485 657 HB3 ASN 680 1HB ASN 680 -3.564 17.536 -12.216 658 HD21 ASN 680 2HD ASN 680 -2.748 14.936 -14.389 659 H ASN 681 H ASN 681 -7.929 16.616 -13.571 660 HA ASN 681 HA ASN 681 -7.526 17.540 -16.248 661 HB2 ASN 681 2HB ASN 681 -9.238 15.845 -16.822 662 HB3 ASN 681 1HB ASN 681 -7.810 15.163 -16.072 663 HD21 ASN 681 2HD ASN 681 -11.060 13.774 -14.702 664 H GLU 682 H GLU 682 -9.498 18.144 -17.388 665 HA GLU 682 HA GLU 682 -10.674 20.386 -16.201 666 HB2 GLU 682 2HB GLU 682 -12.067 20.462 -18.248 667 HB3 GLU 682 1HB GLU 682 -10.354 20.251 -18.577 668 HG2 GLU 682 2HG GLU 682 -10.699 17.879 -18.959 669 HG3 GLU 682 1HG GLU 682 -12.412 18.056 -18.585 670 H LYS 683 H LYS 683 -11.731 17.073 -16.311 671 HA LYS 683 HA LYS 683 -14.417 17.747 -15.485 672 HB2 LYS 683 2HB LYS 683 -13.836 15.908 -17.141 673 HB3 LYS 683 1HB LYS 683 -13.068 15.052 -15.836 674 HG2 LYS 683 2HG LYS 683 -15.977 15.752 -15.785 675 HG3 LYS 683 1HG LYS 683 -15.376 14.341 -16.649 676 HD2 LYS 683 2HD LYS 683 -14.375 13.560 -14.575 677 HD3 LYS 683 1HD LYS 683 -15.093 14.938 -13.724 678 HE2 LYS 683 2HE LYS 683 -17.330 14.190 -14.355 679 HE3 LYS 683 1HE LYS 683 -16.647 12.853 -15.270 680 HZ1 LYS 683 3HZ LYS 683 -17.453 12.101 -13.134 681 HZ2 LYS 683 1HZ LYS 683 -16.499 13.225 -12.333 682 HZ3 LYS 683 2HZ LYS 683 -15.784 11.951 -13.167 683 H ARG 684 H ARG 684 -11.372 17.264 -14.009 684 HA ARG 684 HA ARG 684 -10.590 16.823 -12.032 685 HB2 ARG 684 2HB ARG 684 -13.167 18.041 -10.981 686 HB3 ARG 684 1HB ARG 684 -11.743 17.734 -10.011 687 HG2 ARG 684 2HG ARG 684 -11.661 20.030 -10.459 688 HG3 ARG 684 1HG ARG 684 -10.532 19.335 -11.615 689 HD2 ARG 684 2HD ARG 684 -11.914 21.025 -12.689 690 HD3 ARG 684 1HD ARG 684 -12.287 19.430 -13.349 691 HE ARG 684 HE ARG 684 -14.047 19.738 -11.311 692 HH12 ARG 684 1HH ARG 684 -14.961 22.239 -14.354 693 HH21 ARG 684 2HH ARG 684 -16.600 21.631 -12.726 694 H THR 685 H THR 685 -10.634 14.675 -12.488 695 HA THR 685 HA THR 685 -12.704 13.046 -11.312 696 HB THR 685 HB THR 685 -10.229 12.358 -12.885 697 HG1 THR 685 1HG THR 685 -12.201 11.756 -14.305 698 HG21 THR 685 2HG THR 685 -10.912 10.600 -11.419 699 HA PRO 686 HA PRO 686 -10.226 12.704 -7.528 700 HB2 PRO 686 2HB PRO 686 -11.680 10.642 -6.466 701 HB3 PRO 686 1HB PRO 686 -12.114 12.330 -6.296 702 HG2 PRO 686 2HG PRO 686 -13.179 10.292 -8.204 703 HG3 PRO 686 1HG PRO 686 -14.032 11.588 -7.344 704 HD2 PRO 686 2HD PRO 686 -13.387 11.768 -9.936 705 HD3 PRO 686 1HD PRO 686 -13.397 13.191 -8.876 706 H ARG 687 H ARG 687 -8.571 11.420 -6.913 707 HA ARG 687 HA ARG 687 -7.874 9.196 -8.666 708 HB2 ARG 687 2HB ARG 687 -6.359 10.469 -6.375 709 HB3 ARG 687 1HB ARG 687 -5.706 9.310 -7.513 710 HG2 ARG 687 2HG ARG 687 -5.996 10.965 -9.332 711 HG3 ARG 687 1HG ARG 687 -6.628 12.117 -8.159 712 HD2 ARG 687 2HD ARG 687 -4.453 11.904 -6.917 713 HD3 ARG 687 1HD ARG 687 -3.844 10.955 -8.273 714 HE ARG 687 HE ARG 687 -4.888 13.637 -8.767 715 HH12 ARG 687 1HH ARG 687 -1.008 12.603 -9.405 716 HH21 ARG 687 2HH ARG 687 -1.768 14.737 -10.022 717 H ALA 688 H ALA 688 -7.268 7.100 -7.739 718 HA ALA 688 HA ALA 688 -8.283 6.666 -5.049 719 HB1 ALA 688 1HB ALA 688 -8.852 4.946 -7.452 720 HB2 ALA 688 2HB ALA 688 -10.031 5.975 -6.660 721 HB3 ALA 688 3HB ALA 688 -9.345 4.591 -5.798 722 H THR 689 H THR 689 -7.342 4.775 -4.100 723 HA THR 689 HA THR 689 -4.920 3.775 -5.452 724 HB THR 689 HB THR 689 -5.273 4.299 -2.483 725 HG1 THR 689 1HG THR 689 -5.037 6.221 -3.754 726 HG21 THR 689 2HG THR 689 -2.852 3.493 -4.099 727 H LEU 690 H LEU 690 -4.908 1.632 -5.654 728 HA LEU 690 HA LEU 690 -6.579 0.151 -3.791 729 HB2 LEU 690 2HB LEU 690 -7.496 0.176 -6.150 730 HB3 LEU 690 1HB LEU 690 -6.043 -0.686 -6.638 731 HG LEU 690 HG LEU 690 -6.632 -2.392 -4.864 732 HD13 LEU 690 1HD LEU 690 -9.246 -0.981 -5.022 733 HD21 LEU 690 2HD LEU 690 -8.466 -2.118 -7.205 734 H ILE 691 H ILE 691 -5.605 -1.421 -2.874 735 HA ILE 691 HA ILE 691 -2.853 -2.005 -3.733 736 HB ILE 691 HB ILE 691 -3.806 -2.135 -0.843 737 HG12 ILE 691 1HG ILE 691 -2.095 -0.170 -0.536 738 HG23 ILE 691 2HG ILE 691 -1.445 -2.401 -0.290 739 HD11 ILE 691 1HD ILE 691 -3.672 1.582 -0.997 740 H THR 692 H THR 692 -2.534 -4.069 -4.251 741 HA THR 692 HA THR 692 -4.663 -5.974 -3.682 742 HB THR 692 HB THR 692 -2.283 -6.332 -5.400 743 HG1 THR 692 1HG THR 692 -3.011 -4.799 -6.696 744 HG21 THR 692 2HG THR 692 -5.142 -7.268 -5.643 745 H PHE 693 H PHE 693 -4.196 -7.264 -1.997 746 HA PHE 693 HA PHE 693 -1.440 -7.558 -1.080 747 HB2 PHE 693 2HB PHE 693 -4.061 -8.291 0.146 748 HB3 PHE 693 1HB PHE 693 -2.504 -8.503 0.930 749 HD1 PHE 693 1HD PHE 693 -4.780 -5.902 -0.436 750 HD2 PHE 693 2HD PHE 693 -1.518 -6.733 2.163 751 HE1 PHE 693 1HE PHE 693 -4.943 -3.644 0.504 752 HE2 PHE 693 2HE PHE 693 -1.666 -4.486 3.080 753 HZ PHE 693 HZ PHE 693 -3.383 -2.936 2.255 754 H LEU 694 H LEU 694 -0.384 -9.278 -1.665 755 HA LEU 694 HA LEU 694 -1.918 -11.639 -2.468 756 HB2 LEU 694 2HB LEU 694 0.806 -10.759 -3.392 757 HB3 LEU 694 1HB LEU 694 -0.086 -12.151 -3.967 758 HG LEU 694 HG LEU 694 -0.871 -9.286 -4.322 759 HD13 LEU 694 1HD LEU 694 -0.380 -9.668 -6.697 760 HD21 LEU 694 2HD LEU 694 -2.602 -10.131 -5.840 761 H CYS 695 H CYS 695 -0.984 -13.571 -2.048 762 HA CYS 695 HA CYS 695 0.158 -13.843 0.544 763 HB2 CYS 695 2HB CYS 695 -1.395 -15.528 -0.099 764 HB3 CYS 695 1HB CYS 695 -0.514 -15.871 -1.584 765 H ASP 696 H ASP 696 2.207 -13.769 1.056 766 HA ASP 696 HA ASP 696 4.135 -15.034 -0.738 767 HB2 ASP 696 2HB ASP 696 4.323 -12.486 -0.755 768 HB3 ASP 696 1HB ASP 696 4.784 -12.594 0.942 769 H ARG 697 H ARG 697 5.444 -16.402 0.382 770 HA ARG 697 HA ARG 697 4.452 -17.055 2.969 771 HB2 ARG 697 2HB ARG 697 5.015 -18.758 1.248 772 HB3 ARG 697 1HB ARG 697 6.713 -18.350 1.440 773 HG2 ARG 697 2HG ARG 697 6.148 -20.377 2.653 774 HG3 ARG 697 1HG ARG 697 6.620 -19.096 3.771 775 HD2 ARG 697 2HD ARG 697 4.646 -20.315 4.579 776 HD3 ARG 697 1HD ARG 697 4.282 -18.625 4.248 777 HE ARG 697 HE ARG 697 3.724 -20.494 2.105 778 HH12 ARG 697 1HH ARG 697 0.764 -18.852 4.352 779 HH21 ARG 697 2HH ARG 697 0.234 -19.997 2.313 780 H ASP 698 H ASP 698 7.243 -15.347 1.723 781 HA ASP 698 HA ASP 698 8.056 -14.869 4.459 782 HB2 ASP 698 2HB ASP 698 10.014 -15.911 2.399 783 HB3 ASP 698 1HB ASP 698 10.490 -15.148 3.905 784 H ALA 699 H ALA 699 7.941 -12.847 4.667 785 HA ALA 699 HA ALA 699 9.538 -11.061 3.111 786 HB1 ALA 699 1HB ALA 699 7.684 -9.600 2.372 787 HB2 ALA 699 2HB ALA 699 6.519 -10.764 2.994 788 HB3 ALA 699 3HB ALA 699 7.560 -11.200 1.639 789 H GLY 700 H GLY 700 6.569 -10.933 5.033 790 HA2 GLY 700 2HA GLY 700 6.948 -10.600 7.483 791 HA3 GLY 700 1HA GLY 700 7.939 -9.232 6.957 792 H VAL 701 H VAL 701 6.896 -7.337 7.161 793 HA VAL 701 HA VAL 701 4.141 -7.238 7.107 794 HB VAL 701 HB VAL 701 4.492 -4.804 6.886 795 HG13 VAL 701 1HG VAL 701 5.460 -4.488 9.112 796 HG21 VAL 701 2HG VAL 701 7.422 -5.493 7.013 797 H GLY 702 H GLY 702 6.660 -6.816 4.680 798 HA2 GLY 702 2HA GLY 702 6.119 -7.396 2.470 799 HA3 GLY 702 1HA GLY 702 4.520 -6.718 2.731 800 H PHE 703 H PHE 703 6.466 -6.226 0.823 801 HA PHE 703 HA PHE 703 6.883 -3.328 1.098 802 HB2 PHE 703 2HB PHE 703 8.251 -5.285 -0.778 803 HB3 PHE 703 1HB PHE 703 8.535 -3.553 -0.750 804 HD1 PHE 703 1HD PHE 703 9.109 -6.743 0.956 805 HD2 PHE 703 2HD PHE 703 9.881 -2.554 0.996 806 HE1 PHE 703 1HE PHE 703 10.919 -7.097 2.584 807 HE2 PHE 703 2HE PHE 703 11.693 -2.903 2.628 808 HZ PHE 703 HZ PHE 703 12.215 -5.176 3.419 809 HA PRO 704 HA PRO 704 3.538 -3.426 -1.986 810 HB2 PRO 704 2HB PRO 704 3.191 -0.712 -2.064 811 HB3 PRO 704 1HB PRO 704 2.446 -1.748 -0.845 812 HG2 PRO 704 2HG PRO 704 4.900 -0.054 -0.647 813 HG3 PRO 704 1HG PRO 704 3.624 -0.316 0.550 814 HD2 PRO 704 2HD PRO 704 6.014 -1.556 0.702 815 HD3 PRO 704 1HD PRO 704 4.513 -2.310 1.251 816 H GLU 705 H GLU 705 3.617 -3.194 -4.132 817 HA GLU 705 HA GLU 705 5.937 -1.830 -5.344 818 HB2 GLU 705 2HB GLU 705 5.760 -4.378 -5.551 819 HB3 GLU 705 1HB GLU 705 4.281 -4.091 -6.397 820 HG2 GLU 705 2HG GLU 705 6.112 -4.503 -7.938 821 HG3 GLU 705 1HG GLU 705 5.360 -2.923 -8.158 822 H TYR 706 H TYR 706 5.485 -0.485 -7.091 823 HA TYR 706 HA TYR 706 2.640 0.084 -7.502 824 HB2 TYR 706 2HB TYR 706 3.919 2.025 -6.846 825 HB3 TYR 706 1HB TYR 706 5.074 1.787 -8.140 826 HD1 TYR 706 2HD TYR 706 1.391 2.266 -7.647 827 HD2 TYR 706 1HD TYR 706 4.807 3.054 -10.071 828 HE1 TYR 706 2HE TYR 706 0.058 3.710 -9.041 829 HE2 TYR 706 1HE TYR 706 3.469 4.516 -11.477 830 HH TYR 706 HH TYR 706 0.409 5.601 -10.559 831 H GLN 707 H GLN 707 1.678 -0.651 -9.210 832 HA GLN 707 HA GLN 707 3.255 -1.667 -11.400 833 HB2 GLN 707 2HB GLN 707 0.310 -1.696 -10.806 834 HB3 GLN 707 1HB GLN 707 0.917 -2.225 -12.357 835 HG2 GLN 707 2HG GLN 707 0.446 -4.063 -10.865 836 HG3 GLN 707 1HG GLN 707 2.163 -4.015 -11.270 837 HE21 GLN 707 2HE GLN 707 0.901 -3.580 -7.493 838 H GLU 708 H GLU 708 0.239 0.143 -11.659 839 HA GLU 708 HA GLU 708 1.386 2.430 -12.798 840 HB2 GLU 708 2HB GLU 708 0.592 2.108 -15.122 841 HB3 GLU 708 1HB GLU 708 1.877 0.990 -14.690 842 HG2 GLU 708 2HG GLU 708 0.139 -0.754 -14.291 843 HG3 GLU 708 1HG GLU 708 -1.065 0.383 -14.892 844 H GLU 709 H GLU 709 -0.033 3.984 -12.632 845 HA GLU 709 HA GLU 709 -2.770 3.384 -11.997 846 HB2 GLU 709 2HB GLU 709 -1.529 5.271 -10.965 847 HB3 GLU 709 1HB GLU 709 -1.400 6.041 -12.535 848 HG2 GLU 709 2HG GLU 709 -4.002 5.500 -11.095 849 HG3 GLU 709 1HG GLU 709 -3.111 7.006 -10.988 850 H ASP 710 H ASP 710 -4.349 3.350 -13.353 851 HA ASP 710 HA ASP 710 -4.416 4.445 -16.001 852 HB2 ASP 710 2HB ASP 710 -2.812 2.552 -16.344 853 HB3 ASP 710 1HB ASP 710 -4.031 1.444 -15.742 854 H ASN 711 H ASN 711 -5.349 2.021 -13.751 855 HA ASN 711 HA ASN 711 -8.024 1.527 -14.642 856 HB2 ASN 711 2HB ASN 711 -6.746 0.986 -11.950 857 HB3 ASN 711 1HB ASN 711 -8.240 0.284 -12.535 858 HD21 ASN 711 2HD ASN 711 -4.641 -1.261 -13.515 859 H SER 712 H SER 712 -7.110 4.402 -13.822 860 HA SER 712 HA SER 712 -7.716 6.198 -12.801 861 HB2 SER 712 2HB SER 712 -10.086 6.583 -12.048 862 HB3 SER 712 1HB SER 712 -9.977 5.942 -13.676 863 HG SER 712 HG SER 712 -10.171 3.851 -12.255 864 H THR 713 H THR 713 -6.968 3.656 -11.317 865 HA THR 713 HA THR 713 -6.811 4.949 -8.758 866 HB THR 713 HB THR 713 -8.653 3.303 -8.587 867 HG1 THR 713 1HG THR 713 -7.957 2.672 -6.719 868 HG21 THR 713 2HG THR 713 -8.257 0.919 -8.906 869 H TYR 714 H TYR 714 -4.929 4.382 -7.696 870 HA TYR 714 HA TYR 714 -2.755 3.473 -9.387 871 HB2 TYR 714 2HB TYR 714 -2.805 4.546 -6.542 872 HB3 TYR 714 1HB TYR 714 -1.342 4.140 -7.424 873 HD1 TYR 714 1HD TYR 714 -4.353 6.324 -7.621 874 HD2 TYR 714 2HD TYR 714 -0.270 5.818 -8.680 875 HE1 TYR 714 1HE TYR 714 -4.316 8.587 -8.553 876 HE2 TYR 714 2HE TYR 714 -0.235 8.092 -9.611 877 HH TYR 714 HH TYR 714 -1.881 9.725 -10.518 878 H ASN 715 H ASN 715 -2.255 1.373 -9.415 879 HA ASN 715 HA ASN 715 -3.194 -0.257 -7.187 880 HB2 ASN 715 2HB ASN 715 -2.537 -0.814 -9.991 881 HB3 ASN 715 1HB ASN 715 -2.388 -2.153 -8.859 882 HD21 ASN 715 2HD ASN 715 -5.869 -2.627 -8.526 883 H PHE 716 H PHE 716 -2.015 -1.000 -5.794 884 HA PHE 716 HA PHE 716 0.855 -1.267 -6.250 885 HB2 PHE 716 2HB PHE 716 -0.620 -0.728 -3.663 886 HB3 PHE 716 1HB PHE 716 1.091 -1.095 -3.776 887 HD1 PHE 716 1HD PHE 716 -1.483 1.415 -4.528 888 HD2 PHE 716 2HD PHE 716 2.664 0.502 -4.552 889 HE1 PHE 716 1HE PHE 716 -0.958 3.793 -4.916 890 HE2 PHE 716 2HE PHE 716 3.189 2.865 -4.934 891 HZ PHE 716 HZ PHE 716 1.389 4.508 -5.120 892 H ARG 717 H ARG 717 1.786 -3.098 -5.754 893 HA ARG 717 HA ARG 717 0.037 -5.382 -5.135 894 HB2 ARG 717 2HB ARG 717 1.063 -5.566 -7.306 895 HB3 ARG 717 1HB ARG 717 2.636 -5.176 -6.654 896 HG2 ARG 717 2HG ARG 717 2.749 -7.253 -5.532 897 HG3 ARG 717 1HG ARG 717 1.087 -7.658 -5.995 898 HD2 ARG 717 2HD ARG 717 2.782 -8.768 -7.434 899 HD3 ARG 717 1HD ARG 717 1.705 -7.706 -8.336 900 HE ARG 717 HE ARG 717 3.743 -6.070 -7.898 901 HH12 ARG 717 1HH ARG 717 5.222 -9.303 -9.865 902 HH21 ARG 717 2HH ARG 717 6.282 -7.205 -10.046 903 H TRP 718 H TRP 718 0.249 -6.162 -3.176 904 HA TRP 718 HA TRP 718 2.669 -5.472 -1.667 905 HB2 TRP 718 2HB TRP 718 0.397 -4.504 -1.018 906 HB3 TRP 718 1HB TRP 718 -0.079 -6.141 -0.614 907 HD1 TRP 718 HD TRP 718 1.931 -7.286 1.217 908 HE1 TRP 718 1HE TRP 718 2.694 -6.148 3.414 909 HE3 TRP 718 3HE TRP 718 0.566 -2.490 0.191 910 HZ2 TRP 718 2HZ TRP 718 2.714 -3.627 4.534 911 HZ3 TRP 718 3HZ TRP 718 0.973 -0.770 1.906 912 HH2 TRP 718 HH TRP 718 2.023 -1.333 4.012 913 H TYR 719 H TYR 719 3.855 -7.189 -1.021 914 HA TYR 719 HA TYR 719 2.612 -9.839 -1.086 915 HB2 TYR 719 2HB TYR 719 5.493 -8.994 -1.288 916 HB3 TYR 719 1HB TYR 719 5.028 -10.656 -0.983 917 HD1 TYR 719 2HD TYR 719 3.733 -11.897 -2.696 918 HD2 TYR 719 1HD TYR 719 5.373 -8.051 -3.470 919 HE1 TYR 719 2HE TYR 719 3.498 -12.290 -5.096 920 HE2 TYR 719 1HE TYR 719 5.138 -8.445 -5.884 921 HH TYR 719 HH TYR 719 3.331 -11.041 -7.151 922 H THR 720 H THR 720 1.853 -10.388 0.829 923 HA THR 720 HA THR 720 3.620 -10.037 3.091 924 HB THR 720 HB THR 720 2.202 -8.065 3.238 925 HG1 THR 720 1HG THR 720 2.460 -8.537 5.229 926 HG21 THR 720 2HG THR 720 0.250 -8.878 1.979 927 H SER 721 H SER 721 3.488 -11.551 4.628 928 HA SER 721 HA SER 721 2.271 -13.998 3.973 929 HB2 SER 721 2HB SER 721 3.452 -13.043 6.586 930 HB3 SER 721 1HB SER 721 3.195 -14.726 6.105 931 HG SER 721 HG SER 721 4.533 -14.150 4.228 932 H TYR 722 H TYR 722 1.200 -11.157 5.709 933 HA TYR 722 HA TYR 722 -0.710 -12.403 7.380 934 HB2 TYR 722 2HB TYR 722 -0.407 -9.529 6.526 935 HB3 TYR 722 1HB TYR 722 -1.535 -10.097 7.711 936 HD1 TYR 722 1HD TYR 722 -0.770 -11.029 9.865 937 HD2 TYR 722 2HD TYR 722 1.967 -9.323 7.099 938 HE1 TYR 722 1HE TYR 722 0.910 -10.870 11.641 939 HE2 TYR 722 2HE TYR 722 3.665 -9.162 8.873 940 HH TYR 722 HH TYR 722 3.672 -9.009 11.349 941 H ALA 723 H ALA 723 -0.756 -11.655 4.055 942 HA ALA 723 HA ALA 723 -3.695 -11.549 4.045 943 HB1 ALA 723 1HB ALA 723 -3.505 -10.756 1.756 944 HB2 ALA 723 2HB ALA 723 -1.762 -10.968 1.806 945 HB3 ALA 723 3HB ALA 723 -2.532 -9.749 2.831 946 H CYS 724 H CYS 724 -1.776 -13.903 4.307 947 HA CYS 724 HA CYS 724 -2.657 -15.340 1.917 948 HB2 CYS 724 2HB CYS 724 -0.205 -15.175 2.340 949 HB3 CYS 724 1HB CYS 724 -0.444 -16.094 3.819 950 HA PRO 725 HA PRO 725 -5.415 -17.513 4.665 951 HB2 PRO 725 2HB PRO 725 -6.366 -19.289 2.831 952 HB3 PRO 725 1HB PRO 725 -6.901 -17.615 2.908 953 HG2 PRO 725 2HG PRO 725 -4.948 -18.893 1.054 954 HG3 PRO 725 1HG PRO 725 -6.144 -17.629 0.729 955 HD2 PRO 725 2HD PRO 725 -3.478 -17.166 1.083 956 HD3 PRO 725 1HD PRO 725 -4.744 -15.970 1.417 Start of MODEL 14 1 H1 GLU 578 1HT GLU 578 -13.548 0.139 -18.040 2 H2 GLU 578 2HT GLU 578 -12.802 -0.802 -16.824 3 H3 GLU 578 3HT GLU 578 -12.956 0.858 -16.631 4 HA GLU 578 HA GLU 578 -15.278 0.751 -16.477 5 HB2 GLU 578 2HB GLU 578 -14.977 -2.261 -16.796 6 HB3 GLU 578 1HB GLU 578 -16.468 -1.423 -16.431 7 HG2 GLU 578 2HG GLU 578 -16.508 -2.081 -18.718 8 HG3 GLU 578 1HG GLU 578 -16.309 -0.333 -18.683 9 H ALA 579 H ALA 579 -16.449 -0.264 -14.513 10 HA ALA 579 HA ALA 579 -14.504 -1.085 -12.501 11 HB1 ALA 579 1HB ALA 579 -16.573 1.087 -12.113 12 HB2 ALA 579 2HB ALA 579 -14.831 1.343 -12.244 13 HB3 ALA 579 3HB ALA 579 -15.495 0.454 -10.872 14 H GLU 580 H GLU 580 -15.200 -2.838 -11.496 15 HA GLU 580 HA GLU 580 -17.966 -3.621 -11.915 16 HB2 GLU 580 2HB GLU 580 -16.141 -5.210 -12.528 17 HB3 GLU 580 1HB GLU 580 -15.629 -5.220 -10.848 18 HG2 GLU 580 2HG GLU 580 -16.938 -7.204 -11.437 19 HG3 GLU 580 1HG GLU 580 -17.708 -6.239 -10.180 20 H ALA 581 H ALA 581 -19.240 -4.353 -10.154 21 HA ALA 581 HA ALA 581 -18.390 -3.394 -7.498 22 HB1 ALA 581 1HB ALA 581 -20.587 -2.357 -7.189 23 HB2 ALA 581 2HB ALA 581 -21.035 -2.798 -8.837 24 HB3 ALA 581 3HB ALA 581 -19.736 -1.637 -8.555 25 H GLU 582 H GLU 582 -18.571 -6.025 -8.686 26 HA GLU 582 HA GLU 582 -20.968 -7.317 -7.840 27 HB2 GLU 582 2HB GLU 582 -19.643 -8.206 -9.706 28 HB3 GLU 582 1HB GLU 582 -18.294 -8.504 -8.628 29 HG2 GLU 582 2HG GLU 582 -19.725 -10.098 -7.368 30 HG3 GLU 582 1HG GLU 582 -20.978 -9.871 -8.586 31 H PHE 583 H PHE 583 -21.256 -6.946 -5.648 32 HA PHE 583 HA PHE 583 -19.218 -7.852 -3.840 33 HB2 PHE 583 2HB PHE 583 -21.997 -6.793 -3.248 34 HB3 PHE 583 1HB PHE 583 -20.864 -7.317 -2.011 35 HD1 PHE 583 2HD PHE 583 -18.733 -6.060 -1.697 36 HD2 PHE 583 1HD PHE 583 -21.840 -4.660 -4.243 37 HE1 PHE 583 2HE PHE 583 -17.748 -3.805 -1.648 38 HE2 PHE 583 1HE PHE 583 -20.861 -2.397 -4.197 39 HZ PHE 583 HZ PHE 583 -18.813 -1.971 -2.897 40 H LEU 584 H LEU 584 -19.097 -9.826 -4.655 41 HA LEU 584 HA LEU 584 -20.652 -11.795 -3.195 42 HB2 LEU 584 2HB LEU 584 -21.750 -11.483 -5.495 43 HB3 LEU 584 1HB LEU 584 -20.258 -12.023 -6.210 44 HG LEU 584 HG LEU 584 -21.992 -13.767 -6.227 45 HD13 LEU 584 1HD LEU 584 -19.703 -14.486 -4.430 46 HD21 LEU 584 2HD LEU 584 -23.201 -13.134 -4.229 47 H SER 585 H SER 585 -18.228 -11.335 -5.780 48 HA SER 585 HA SER 585 -16.409 -13.234 -4.646 49 HB2 SER 585 2HB SER 585 -15.001 -12.347 -6.549 50 HB3 SER 585 1HB SER 585 -16.566 -13.025 -7.025 51 HG SER 585 HG SER 585 -17.067 -11.180 -7.817 52 H ARG 586 H ARG 586 -17.293 -10.136 -4.178 53 HA ARG 586 HA ARG 586 -14.806 -9.327 -2.883 54 HB2 ARG 586 2HB ARG 586 -15.199 -7.826 -4.777 55 HB3 ARG 586 1HB ARG 586 -16.854 -7.565 -4.251 56 HG2 ARG 586 2HG ARG 586 -16.051 -6.467 -2.209 57 HG3 ARG 586 1HG ARG 586 -14.390 -6.733 -2.719 58 HD2 ARG 586 2HD ARG 586 -14.687 -5.304 -4.611 59 HD3 ARG 586 1HD ARG 586 -16.415 -5.129 -4.271 60 HE ARG 586 HE ARG 586 -15.211 -4.236 -2.007 61 HH12 ARG 586 1HH ARG 586 -14.409 -1.745 -5.097 62 HH21 ARG 586 2HH ARG 586 -14.368 -0.961 -2.842 63 H THR 587 H THR 587 -14.986 -9.006 -0.887 64 HA THR 587 HA THR 587 -17.602 -8.631 0.373 65 HB THR 587 HB THR 587 -15.131 -10.057 1.363 66 HG1 THR 587 1HG THR 587 -16.050 -11.863 0.772 67 HG21 THR 587 2HG THR 587 -16.630 -10.998 2.976 68 H GLU 588 H GLU 588 -17.627 -6.882 1.812 69 HA GLU 588 HA GLU 588 -15.185 -5.286 1.715 70 HB2 GLU 588 2HB GLU 588 -17.325 -4.397 0.701 71 HB3 GLU 588 1HB GLU 588 -17.993 -4.351 2.322 72 HG2 GLU 588 2HG GLU 588 -17.222 -2.161 1.677 73 HG3 GLU 588 1HG GLU 588 -16.221 -2.784 2.991 74 H GLY 589 H GLY 589 -14.297 -4.494 3.536 75 HA2 GLY 589 2HA GLY 589 -15.261 -5.582 6.079 76 HA3 GLY 589 1HA GLY 589 -13.628 -4.997 5.757 77 H ASP 590 H ASP 590 -13.952 -3.763 7.756 78 HA ASP 590 HA ASP 590 -15.227 -1.249 7.026 79 HB2 ASP 590 2HB ASP 590 -16.831 -2.419 8.448 80 HB3 ASP 590 1HB ASP 590 -15.630 -2.543 9.736 81 H ASN 591 H ASN 591 -13.666 -2.274 10.048 82 HA ASN 591 HA ASN 591 -11.818 -0.056 9.630 83 HB2 ASN 591 2HB ASN 591 -11.465 -0.033 12.086 84 HB3 ASN 591 1HB ASN 591 -13.123 0.295 11.607 85 HD21 ASN 591 2HD ASN 591 -12.770 -2.168 14.476 86 H CYS 592 H CYS 592 -10.181 -1.065 8.393 87 HA CYS 592 HA CYS 592 -8.160 -1.977 8.125 88 HB2 CYS 592 2HB CYS 592 -8.167 -2.175 11.137 89 HB3 CYS 592 1HB CYS 592 -6.748 -2.371 10.107 90 H THR 593 H THR 593 -10.702 -3.756 8.933 91 HA THR 593 HA THR 593 -9.234 -6.263 8.706 92 HB THR 593 HB THR 593 -10.914 -7.237 10.312 93 HG1 THR 593 1HG THR 593 -11.304 -4.581 11.162 94 HG21 THR 593 2HG THR 593 -9.157 -5.059 11.451 95 H VAL 594 H VAL 594 -10.298 -7.745 7.486 96 HA VAL 594 HA VAL 594 -13.019 -7.141 6.681 97 HB VAL 594 HB VAL 594 -11.559 -6.532 4.792 98 HG13 VAL 594 1HG VAL 594 -10.598 -9.386 4.851 99 HG21 VAL 594 2HG VAL 594 -13.121 -9.058 4.271 100 H PHE 595 H PHE 595 -14.391 -8.862 6.821 101 HA PHE 595 HA PHE 595 -13.072 -11.430 7.069 102 HB2 PHE 595 2HB PHE 595 -13.986 -11.023 9.280 103 HB3 PHE 595 1HB PHE 595 -15.547 -10.561 8.601 104 HD1 PHE 595 2HD PHE 595 -13.262 -13.477 8.092 105 HD2 PHE 595 1HD PHE 595 -17.178 -12.152 9.078 106 HE1 PHE 595 2HE PHE 595 -13.991 -15.788 8.167 107 HE2 PHE 595 1HE PHE 595 -17.932 -14.495 9.178 108 HZ PHE 595 HZ PHE 595 -16.334 -16.321 8.727 109 H ASP 596 H ASP 596 -13.533 -12.874 5.753 110 HA ASP 596 HA ASP 596 -15.771 -12.421 3.924 111 HB2 ASP 596 2HB ASP 596 -13.462 -12.364 2.999 112 HB3 ASP 596 1HB ASP 596 -13.260 -13.981 3.600 113 H SER 597 H SER 597 -17.405 -13.646 4.252 114 HA SER 597 HA SER 597 -17.386 -15.836 6.019 115 HB2 SER 597 2HB SER 597 -19.490 -14.987 4.037 116 HB3 SER 597 1HB SER 597 -19.726 -16.006 5.460 117 HG SER 597 HG SER 597 -19.727 -14.306 6.694 118 H GLN 598 H GLN 598 -17.295 -15.554 2.460 119 HA GLN 598 HA GLN 598 -17.911 -18.252 1.994 120 HB2 GLN 598 2HB GLN 598 -16.987 -17.837 -0.237 121 HB3 GLN 598 1HB GLN 598 -18.291 -16.699 0.163 122 HG2 GLN 598 2HG GLN 598 -16.497 -15.083 0.741 123 HG3 GLN 598 1HG GLN 598 -15.322 -16.263 0.221 124 HE21 GLN 598 2HE GLN 598 -16.011 -13.663 -2.314 125 H ALA 599 H ALA 599 -14.802 -16.508 2.277 126 HA ALA 599 HA ALA 599 -13.317 -18.881 1.778 127 HB1 ALA 599 1HB ALA 599 -11.362 -17.433 2.212 128 HB2 ALA 599 2HB ALA 599 -12.436 -16.285 2.976 129 HB3 ALA 599 3HB ALA 599 -12.573 -16.542 1.243 130 H GLY 600 H GLY 600 -14.643 -17.179 4.462 131 HA2 GLY 600 2HA GLY 600 -15.023 -17.938 6.623 132 HA3 GLY 600 1HA GLY 600 -14.146 -19.405 6.216 133 H PHE 601 H PHE 601 -12.571 -16.375 5.636 134 HA PHE 601 HA PHE 601 -11.061 -16.730 8.116 135 HB2 PHE 601 2HB PHE 601 -9.891 -16.163 5.395 136 HB3 PHE 601 1HB PHE 601 -8.989 -16.053 6.899 137 HD1 PHE 601 2HD PHE 601 -8.985 -18.263 8.333 138 HD2 PHE 601 1HD PHE 601 -9.822 -18.073 4.167 139 HE1 PHE 601 2HE PHE 601 -8.366 -20.632 8.106 140 HE2 PHE 601 1HE PHE 601 -9.214 -20.434 3.932 141 HZ PHE 601 HZ PHE 601 -8.484 -21.726 5.905 142 H SER 602 H SER 602 -10.478 -14.913 9.161 143 HA SER 602 HA SER 602 -11.464 -12.407 8.045 144 HB2 SER 602 2HB SER 602 -11.327 -11.659 10.446 145 HB3 SER 602 1HB SER 602 -12.468 -12.977 10.157 146 HG SER 602 HG SER 602 -9.790 -13.435 11.004 147 H PHE 603 H PHE 603 -10.042 -10.841 7.568 148 HA PHE 603 HA PHE 603 -7.285 -11.373 8.338 149 HB2 PHE 603 2HB PHE 603 -8.344 -10.377 5.703 150 HB3 PHE 603 1HB PHE 603 -6.661 -10.161 6.175 151 HD1 PHE 603 2HD PHE 603 -9.240 -12.695 5.155 152 HD2 PHE 603 1HD PHE 603 -5.157 -12.013 6.266 153 HE1 PHE 603 2HE PHE 603 -8.626 -14.903 4.347 154 HE2 PHE 603 1HE PHE 603 -4.578 -14.246 5.441 155 HZ PHE 603 HZ PHE 603 -6.313 -15.689 4.481 156 H ASP 604 H ASP 604 -6.407 -10.003 9.556 157 HA ASP 604 HA ASP 604 -7.263 -7.157 9.619 158 HB2 ASP 604 2HB ASP 604 -6.375 -7.101 11.904 159 HB3 ASP 604 1HB ASP 604 -7.598 -8.350 11.785 160 H LEU 605 H LEU 605 -6.037 -5.935 8.588 161 HA LEU 605 HA LEU 605 -3.244 -6.727 8.434 162 HB2 LEU 605 2HB LEU 605 -4.767 -4.935 6.546 163 HB3 LEU 605 1HB LEU 605 -3.066 -5.325 6.395 164 HG LEU 605 HG LEU 605 -5.380 -7.244 6.131 165 HD13 LEU 605 1HD LEU 605 -4.525 -7.579 3.899 166 HD21 LEU 605 2HD LEU 605 -3.708 -8.965 5.618 167 H THR 606 H THR 606 -4.839 -5.307 10.353 168 HA THR 606 HA THR 606 -4.269 -2.711 10.794 169 HB THR 606 HB THR 606 -4.380 -4.785 12.967 170 HG1 THR 606 1HG THR 606 -6.688 -4.778 12.488 171 HG21 THR 606 2HG THR 606 -5.918 -3.173 13.894 172 HA PRO 607 HA PRO 607 -0.137 -4.259 13.153 173 HB2 PRO 607 2HB PRO 607 0.502 -6.675 11.548 174 HB3 PRO 607 1HB PRO 607 0.685 -6.405 13.285 175 HG2 PRO 607 2HG PRO 607 -1.245 -7.984 12.370 176 HG3 PRO 607 1HG PRO 607 -1.538 -6.882 13.726 177 HD2 PRO 607 2HD PRO 607 -2.308 -6.589 10.853 178 HD3 PRO 607 1HD PRO 607 -3.256 -6.241 12.313 179 H LEU 608 H LEU 608 -0.906 -4.456 9.806 180 HA LEU 608 HA LEU 608 1.763 -4.087 8.835 181 HB2 LEU 608 2HB LEU 608 -0.924 -4.133 7.557 182 HB3 LEU 608 1HB LEU 608 0.506 -3.673 6.612 183 HG LEU 608 HG LEU 608 1.408 -5.974 7.160 184 HD13 LEU 608 1HD LEU 608 -1.373 -6.412 8.175 185 HD21 LEU 608 2HD LEU 608 0.395 -5.482 5.016 186 H THR 609 H THR 609 -0.652 -2.039 10.003 187 HA THR 609 HA THR 609 -0.111 0.359 8.595 188 HB THR 609 HB THR 609 -1.039 -0.032 11.452 189 HG1 THR 609 1HG THR 609 -2.720 0.287 9.186 190 HG21 THR 609 2HG THR 609 -1.526 2.211 9.486 191 H LYS 610 H LYS 610 1.453 1.786 8.738 192 HA LYS 610 HA LYS 610 3.351 1.572 10.959 193 HB2 LYS 610 2HB LYS 610 3.981 1.893 8.044 194 HB3 LYS 610 1HB LYS 610 5.099 2.245 9.345 195 HG2 LYS 610 2HG LYS 610 4.932 -0.121 10.054 196 HG3 LYS 610 1HG LYS 610 3.903 -0.426 8.658 197 HD2 LYS 610 2HD LYS 610 6.245 -1.048 8.193 198 HD3 LYS 610 1HD LYS 610 5.687 0.272 7.161 199 HE2 LYS 610 2HE LYS 610 6.833 1.886 8.505 200 HE3 LYS 610 1HE LYS 610 7.297 0.652 9.682 201 HZ1 LYS 610 3HZ LYS 610 8.659 -0.367 7.978 202 HZ2 LYS 610 1HZ LYS 610 9.096 1.240 8.180 203 HZ3 LYS 610 2HZ LYS 610 8.188 0.777 6.840 204 H LYS 611 H LYS 611 4.160 3.434 11.704 205 HA LYS 611 HA LYS 611 2.753 5.863 11.232 206 HB2 LYS 611 2HB LYS 611 3.907 5.062 13.354 207 HB3 LYS 611 1HB LYS 611 5.396 5.483 12.583 208 HG2 LYS 611 2HG LYS 611 4.707 7.298 14.064 209 HG3 LYS 611 1HG LYS 611 4.759 7.815 12.381 210 HD2 LYS 611 2HD LYS 611 2.335 7.581 12.224 211 HD3 LYS 611 1HD LYS 611 2.269 7.014 13.893 212 HE2 LYS 611 2HE LYS 611 3.187 9.174 14.627 213 HE3 LYS 611 1HE LYS 611 3.209 9.720 12.951 214 HZ1 LYS 611 3HZ LYS 611 0.787 9.448 12.894 215 HZ2 LYS 611 1HZ LYS 611 1.259 10.528 14.089 216 HZ3 LYS 611 2HZ LYS 611 0.797 8.974 14.511 217 H ASP 612 H ASP 612 5.812 4.538 10.411 218 HA ASP 612 HA ASP 612 6.840 6.798 8.931 219 HB2 ASP 612 2HB ASP 612 8.406 5.168 9.838 220 HB3 ASP 612 1HB ASP 612 7.666 3.885 8.889 221 H ALA 613 H ALA 613 4.797 4.200 8.325 222 HA ALA 613 HA ALA 613 3.471 3.538 6.645 223 HB1 ALA 613 1HB ALA 613 2.857 5.872 6.463 224 HB2 ALA 613 2HB ALA 613 2.931 5.158 4.846 225 HB3 ALA 613 3HB ALA 613 4.249 6.181 5.438 226 H TYR 614 H TYR 614 3.617 3.550 3.939 227 HA TYR 614 HA TYR 614 6.212 2.275 3.442 228 HB2 TYR 614 2HB TYR 614 3.469 1.648 2.339 229 HB3 TYR 614 1HB TYR 614 4.958 0.903 1.772 230 HD1 TYR 614 2HD TYR 614 3.054 1.447 4.960 231 HD2 TYR 614 1HD TYR 614 5.582 -1.120 2.700 232 HE1 TYR 614 2HE TYR 614 2.853 -0.227 6.669 233 HE2 TYR 614 1HE TYR 614 5.384 -2.841 4.428 234 HH TYR 614 HH TYR 614 3.067 -2.519 6.954 235 H LYS 615 H LYS 615 7.230 2.761 1.554 236 HA LYS 615 HA LYS 615 5.951 4.779 -0.135 237 HB2 LYS 615 2HB LYS 615 7.622 5.892 1.229 238 HB3 LYS 615 1HB LYS 615 8.869 4.784 0.754 239 HG2 LYS 615 2HG LYS 615 8.251 5.509 -1.629 240 HG3 LYS 615 1HG LYS 615 7.470 6.889 -0.864 241 HD2 LYS 615 2HD LYS 615 10.345 5.989 -0.563 242 HD3 LYS 615 1HD LYS 615 9.839 7.385 -1.523 243 HE2 LYS 615 2HE LYS 615 9.101 8.458 0.566 244 HE3 LYS 615 1HE LYS 615 9.623 7.033 1.463 245 HZ1 LYS 615 3HZ LYS 615 11.259 8.833 1.500 246 HZ2 LYS 615 1HZ LYS 615 11.424 8.738 -0.174 247 HZ3 LYS 615 2HZ LYS 615 11.864 7.426 0.802 248 H VAL 616 H VAL 616 6.113 4.422 -2.207 249 HA VAL 616 HA VAL 616 8.031 2.443 -3.223 250 HB VAL 616 HB VAL 616 5.412 3.315 -4.423 251 HG13 VAL 616 1HG VAL 616 7.034 2.599 -6.101 252 HG21 VAL 616 2HG VAL 616 6.029 0.720 -3.003 253 H GLU 617 H GLU 617 9.266 3.242 -4.919 254 HA GLU 617 HA GLU 617 8.918 6.117 -5.441 255 HB2 GLU 617 2HB GLU 617 11.453 4.503 -5.327 256 HB3 GLU 617 1HB GLU 617 11.361 6.181 -5.837 257 HG2 GLU 617 2HG GLU 617 10.569 6.837 -3.660 258 HG3 GLU 617 1HG GLU 617 10.547 5.153 -3.136 259 H THR 618 H THR 618 9.218 6.903 -7.512 260 HA THR 618 HA THR 618 9.471 4.887 -9.594 261 HB THR 618 HB THR 618 7.776 6.181 -10.896 262 HG1 THR 618 1HG THR 618 7.546 7.608 -8.458 263 HG21 THR 618 2HG THR 618 6.989 4.261 -9.488 264 H ASP 619 H ASP 619 9.383 6.886 -11.651 265 HA ASP 619 HA ASP 619 12.047 7.681 -11.720 266 HB2 ASP 619 2HB ASP 619 9.740 8.908 -13.253 267 HB3 ASP 619 1HB ASP 619 11.444 8.987 -13.680 268 H LYS 620 H LYS 620 9.172 9.782 -11.305 269 HA LYS 620 HA LYS 620 10.955 11.673 -9.905 270 HB2 LYS 620 2HB LYS 620 8.576 12.463 -11.612 271 HB3 LYS 620 1HB LYS 620 9.545 13.556 -10.676 272 HG2 LYS 620 2HG LYS 620 10.158 13.835 -12.949 273 HG3 LYS 620 1HG LYS 620 11.485 12.974 -12.181 274 HD2 LYS 620 2HD LYS 620 10.966 12.050 -14.398 275 HD3 LYS 620 1HD LYS 620 10.674 10.879 -13.109 276 HE2 LYS 620 2HE LYS 620 8.893 10.853 -14.805 277 HE3 LYS 620 1HE LYS 620 8.275 11.304 -13.224 278 HZ1 LYS 620 3HZ LYS 620 8.871 13.143 -15.481 279 HZ2 LYS 620 1HZ LYS 620 8.335 13.646 -13.962 280 HZ3 LYS 620 2HZ LYS 620 7.346 12.697 -14.909 281 H TYR 621 H TYR 621 8.580 9.604 -9.258 282 HA TYR 621 HA TYR 621 7.446 11.431 -7.245 283 HB2 TYR 621 2HB TYR 621 5.922 9.375 -8.869 284 HB3 TYR 621 1HB TYR 621 5.274 10.239 -7.486 285 HD1 TYR 621 1HD TYR 621 6.984 11.023 -10.689 286 HD2 TYR 621 2HD TYR 621 3.896 12.030 -7.980 287 HE1 TYR 621 1HE TYR 621 6.286 12.772 -12.204 288 HE2 TYR 621 2HE TYR 621 3.139 13.810 -9.503 289 HH TYR 621 HH TYR 621 4.139 13.941 -12.675 290 H GLU 622 H GLU 622 6.609 10.356 -5.396 291 HA GLU 622 HA GLU 622 7.394 7.574 -5.123 292 HB2 GLU 622 2HB GLU 622 7.932 7.911 -2.784 293 HB3 GLU 622 1HB GLU 622 8.892 9.054 -3.708 294 HG2 GLU 622 2HG GLU 622 7.395 10.851 -3.120 295 HG3 GLU 622 1HG GLU 622 6.306 9.722 -2.343 296 H PHE 623 H PHE 623 5.838 6.416 -4.034 297 HA PHE 623 HA PHE 623 3.394 7.942 -3.532 298 HB2 PHE 623 2HB PHE 623 3.619 4.971 -4.118 299 HB3 PHE 623 1HB PHE 623 2.134 5.897 -3.966 300 HD1 PHE 623 2HD PHE 623 2.530 8.182 -5.673 301 HD2 PHE 623 1HD PHE 623 3.807 4.167 -6.309 302 HE1 PHE 623 2HE PHE 623 2.568 8.551 -8.114 303 HE2 PHE 623 1HE PHE 623 3.848 4.546 -8.681 304 HZ PHE 623 HZ PHE 623 3.246 6.679 -9.616 305 H HIS 624 H HIS 624 2.994 8.085 -1.402 306 HA HIS 624 HA HIS 624 4.209 6.066 0.314 307 HB2 HIS 624 2HB HIS 624 4.423 8.870 0.366 308 HB3 HIS 624 1HB HIS 624 3.240 8.474 1.602 309 HD1 HIS 624 1HD HIS 624 6.807 8.666 1.042 310 HD2 HIS 624 2HD HIS 624 4.257 6.514 3.512 311 HE1 HIS 624 1HE HIS 624 8.259 7.691 2.847 312 HE2 HIS 624 2HE HIS 624 6.731 6.367 4.309 313 H ILE 625 H ILE 625 2.814 4.781 1.314 314 HA ILE 625 HA ILE 625 0.030 5.632 1.601 315 HB ILE 625 HB ILE 625 -0.814 3.496 0.734 316 HG12 ILE 625 1HG ILE 625 2.106 2.843 0.348 317 HG23 ILE 625 2HG ILE 625 -0.547 5.292 -0.902 318 HD11 ILE 625 1HD ILE 625 -0.283 1.181 -0.524 319 H ASN 626 H ASN 626 -1.052 4.416 3.180 320 HA ASN 626 HA ASN 626 0.628 2.703 4.883 321 HB2 ASN 626 2HB ASN 626 0.489 5.013 5.870 322 HB3 ASN 626 1HB ASN 626 -1.256 4.849 5.898 323 HD21 ASN 626 2HD ASN 626 -0.776 3.945 9.208 324 H VAL 627 H VAL 627 -0.676 1.211 6.204 325 HA VAL 627 HA VAL 627 -3.016 0.368 4.717 326 HB VAL 627 HB VAL 627 -1.813 -0.915 7.187 327 HG13 VAL 627 1HG VAL 627 -3.817 -1.963 5.186 328 HG21 VAL 627 2HG VAL 627 -0.258 -0.949 5.327 329 H CYS 628 H CYS 628 -4.721 1.367 5.060 330 HA CYS 628 HA CYS 628 -6.527 2.217 5.826 331 HB2 CYS 628 2HB CYS 628 -7.614 1.353 7.852 332 HB3 CYS 628 1HB CYS 628 -6.959 0.061 6.866 333 H GLY 629 H GLY 629 -7.431 3.814 6.849 334 HA2 GLY 629 2HA GLY 629 -7.587 5.695 8.284 335 HA3 GLY 629 1HA GLY 629 -6.082 5.209 9.038 336 HA PRO 630 HA PRO 630 -4.748 8.441 6.287 337 HB2 PRO 630 2HB PRO 630 -3.555 9.781 8.447 338 HB3 PRO 630 1HB PRO 630 -5.088 10.153 7.653 339 HG2 PRO 630 2HG PRO 630 -4.825 9.167 10.327 340 HG3 PRO 630 1HG PRO 630 -6.321 9.251 9.366 341 HD2 PRO 630 2HD PRO 630 -4.404 7.065 9.855 342 HD3 PRO 630 1HD PRO 630 -6.186 7.041 9.765 343 H VAL 631 H VAL 631 -2.553 9.202 5.894 344 HA VAL 631 HA VAL 631 -0.527 7.327 6.817 345 HB VAL 631 HB VAL 631 -0.970 7.361 4.364 346 HG13 VAL 631 1HG VAL 631 0.010 10.195 4.394 347 HG21 VAL 631 2HG VAL 631 1.175 6.612 5.013 348 H SER 632 H SER 632 1.180 8.153 7.907 349 HA SER 632 HA SER 632 1.047 10.992 8.369 350 HB2 SER 632 2HB SER 632 0.910 9.729 10.346 351 HB3 SER 632 1HB SER 632 2.363 8.785 9.971 352 HG SER 632 HG SER 632 2.064 11.424 10.888 353 H VAL 633 H VAL 633 1.937 11.477 6.358 354 HA VAL 633 HA VAL 633 4.884 11.297 6.408 355 HB VAL 633 HB VAL 633 3.213 11.893 3.952 356 HG13 VAL 633 1HG VAL 633 5.494 12.712 3.869 357 HG21 VAL 633 2HG VAL 633 4.357 9.264 4.837 358 H GLY 634 H GLY 634 5.913 13.204 6.626 359 HA2 GLY 634 2HA GLY 634 4.362 15.588 7.020 360 HA3 GLY 634 1HA GLY 634 6.110 15.444 7.140 361 H ALA 635 H ALA 635 4.010 14.705 4.435 362 HA ALA 635 HA ALA 635 4.975 17.022 2.950 363 HB1 ALA 635 1HB ALA 635 6.614 15.264 2.468 364 HB2 ALA 635 2HB ALA 635 5.682 15.685 1.033 365 HB3 ALA 635 3HB ALA 635 5.316 14.205 1.919 366 H CYS 636 H CYS 636 2.455 15.016 3.879 367 HA CYS 636 HA CYS 636 0.826 16.047 1.740 368 HB2 CYS 636 2HB CYS 636 -0.192 13.817 1.399 369 HB3 CYS 636 1HB CYS 636 1.499 13.885 0.924 370 HA PRO 637 HA PRO 637 -2.151 16.872 4.855 371 HB2 PRO 637 2HB PRO 637 -4.462 15.912 3.707 372 HB3 PRO 637 1HB PRO 637 -3.740 17.489 3.359 373 HG2 PRO 637 2HG PRO 637 -3.511 14.918 1.845 374 HG3 PRO 637 1HG PRO 637 -3.733 16.566 1.219 375 HD2 PRO 637 2HD PRO 637 -1.362 15.400 1.151 376 HD3 PRO 637 1HD PRO 637 -1.502 17.121 1.569 377 HA PRO 638 HA PRO 638 -2.495 13.104 7.376 378 HB2 PRO 638 2HB PRO 638 -4.279 14.967 8.876 379 HB3 PRO 638 1HB PRO 638 -2.958 13.957 9.477 380 HG2 PRO 638 2HG PRO 638 -2.571 16.545 9.223 381 HG3 PRO 638 1HG PRO 638 -1.317 15.418 8.674 382 HD2 PRO 638 2HD PRO 638 -3.328 16.933 7.058 383 HD3 PRO 638 1HD PRO 638 -1.604 16.660 6.743 384 H ASP 639 H ASP 639 -5.064 14.837 5.814 385 HA ASP 639 HA ASP 639 -7.120 12.964 6.593 386 HB2 ASP 639 2HB ASP 639 -7.173 15.129 4.487 387 HB3 ASP 639 1HB ASP 639 -8.478 13.973 4.713 388 H SER 640 H SER 640 -4.553 12.647 4.538 389 HA SER 640 HA SER 640 -6.089 10.794 2.901 390 HB2 SER 640 2HB SER 640 -4.190 10.875 1.273 391 HB3 SER 640 1HB SER 640 -5.001 12.418 1.485 392 HG SER 640 HG SER 640 -3.048 12.473 3.226 393 H GLY 641 H GLY 641 -5.460 8.720 2.626 394 HA2 GLY 641 2HA GLY 641 -3.598 7.693 4.663 395 HA3 GLY 641 1HA GLY 641 -4.849 6.743 3.865 396 H ALA 642 H ALA 642 -3.870 8.374 1.431 397 HA ALA 642 HA ALA 642 -1.313 7.083 0.864 398 HB1 ALA 642 1HB ALA 642 -2.899 5.475 -0.023 399 HB2 ALA 642 2HB ALA 642 -2.178 6.366 -1.350 400 HB3 ALA 642 3HB ALA 642 -3.810 6.773 -0.834 401 H CYS 643 H CYS 643 -0.017 8.532 0.019 402 HA CYS 643 HA CYS 643 -1.203 10.753 -1.421 403 HB2 CYS 643 2HB CYS 643 0.102 12.356 -0.146 404 HB3 CYS 643 1HB CYS 643 -1.037 11.493 0.881 405 H GLN 644 H GLN 644 -0.005 11.427 -3.085 406 HA GLN 644 HA GLN 644 2.669 10.249 -3.339 407 HB2 GLN 644 2HB GLN 644 2.509 10.871 -5.689 408 HB3 GLN 644 1HB GLN 644 1.373 9.590 -5.207 409 HG2 GLN 644 2HG GLN 644 -0.425 11.232 -5.228 410 HG3 GLN 644 1HG GLN 644 0.731 12.507 -5.600 411 HE21 GLN 644 2HE GLN 644 0.595 9.829 -8.621 412 H VAL 645 H VAL 645 4.365 11.525 -3.800 413 HA VAL 645 HA VAL 645 3.841 14.326 -4.133 414 HB VAL 645 HB VAL 645 4.330 14.099 -1.720 415 HG13 VAL 645 1HG VAL 645 5.575 12.047 -1.727 416 HG21 VAL 645 2HG VAL 645 5.128 16.120 -2.816 417 H SER 646 H SER 646 5.016 15.217 -5.599 418 HA SER 646 HA SER 646 6.717 13.527 -7.173 419 HB2 SER 646 2HB SER 646 5.264 15.122 -8.317 420 HB3 SER 646 1HB SER 646 6.016 16.454 -7.429 421 HG SER 646 HG SER 646 6.811 16.137 -9.610 422 H ARG 647 H ARG 647 8.740 13.276 -6.773 423 HA ARG 647 HA ARG 647 10.101 14.826 -4.798 424 HB2 ARG 647 2HB ARG 647 11.984 13.367 -5.171 425 HB3 ARG 647 1HB ARG 647 10.528 12.395 -5.229 426 HG2 ARG 647 2HG ARG 647 10.652 12.578 -7.737 427 HG3 ARG 647 1HG ARG 647 12.267 13.249 -7.509 428 HD2 ARG 647 2HD ARG 647 11.286 10.549 -6.601 429 HD3 ARG 647 1HD ARG 647 12.405 10.883 -7.920 430 HE ARG 647 HE ARG 647 13.723 11.957 -5.935 431 HH12 ARG 647 1HH ARG 647 12.992 8.124 -4.837 432 HH21 ARG 647 2HH ARG 647 14.736 9.309 -3.841 433 H SER 648 H SER 648 9.619 14.984 -8.167 434 HA SER 648 HA SER 648 11.836 16.718 -8.715 435 HB2 SER 648 2HB SER 648 10.729 15.120 -10.452 436 HB3 SER 648 1HB SER 648 9.396 16.235 -10.414 437 HG SER 648 HG SER 648 10.398 17.315 -11.852 438 H ASP 649 H ASP 649 8.294 17.050 -8.360 439 HA ASP 649 HA ASP 649 8.447 19.928 -8.828 440 HB2 ASP 649 2HB ASP 649 6.016 18.192 -8.370 441 HB3 ASP 649 1HB ASP 649 5.983 19.896 -8.758 442 H ARG 650 H ARG 650 8.267 17.856 -6.208 443 HA ARG 650 HA ARG 650 7.989 18.083 -3.965 444 HB2 ARG 650 2HB ARG 650 8.614 20.957 -4.606 445 HB3 ARG 650 1HB ARG 650 8.193 20.473 -2.976 446 HG2 ARG 650 2HG ARG 650 10.568 20.610 -3.196 447 HG3 ARG 650 1HG ARG 650 10.100 18.929 -2.970 448 HD2 ARG 650 2HD ARG 650 10.361 18.571 -5.399 449 HD3 ARG 650 1HD ARG 650 10.880 20.250 -5.577 450 HE ARG 650 HE ARG 650 12.375 18.843 -3.613 451 HH12 ARG 650 1HH ARG 650 13.822 19.008 -7.392 452 HH21 ARG 650 2HH ARG 650 15.237 18.407 -5.516 453 H LYS 651 H LYS 651 5.730 18.468 -5.871 454 HA LYS 651 HA LYS 651 3.841 19.581 -3.937 455 HB2 LYS 651 2HB LYS 651 3.440 18.820 -6.801 456 HB3 LYS 651 1HB LYS 651 2.188 19.476 -5.763 457 HG2 LYS 651 2HG LYS 651 3.830 21.461 -5.476 458 HG3 LYS 651 1HG LYS 651 4.658 20.774 -6.842 459 HD2 LYS 651 2HD LYS 651 3.135 22.428 -7.736 460 HD3 LYS 651 1HD LYS 651 2.582 20.795 -8.145 461 HE2 LYS 651 2HE LYS 651 0.717 22.245 -7.465 462 HE3 LYS 651 1HE LYS 651 0.900 20.872 -6.388 463 HZ1 LYS 651 3HZ LYS 651 2.008 22.342 -4.781 464 HZ2 LYS 651 1HZ LYS 651 0.489 22.933 -5.192 465 HZ3 LYS 651 2HZ LYS 651 1.853 23.644 -5.843 466 H SER 652 H SER 652 1.883 18.367 -3.567 467 HA SER 652 HA SER 652 2.228 15.555 -4.091 468 HB2 SER 652 2HB SER 652 1.563 14.979 -1.786 469 HB3 SER 652 1HB SER 652 3.125 15.762 -1.897 470 HG SER 652 HG SER 652 2.242 16.866 -0.330 471 H TRP 653 H TRP 653 0.393 14.309 -3.951 472 HA TRP 653 HA TRP 653 -2.098 15.817 -4.240 473 HB2 TRP 653 2HB TRP 653 -1.119 13.549 -6.001 474 HB3 TRP 653 1HB TRP 653 -2.722 14.256 -6.089 475 HD1 TRP 653 HD TRP 653 -2.977 16.490 -7.485 476 HE1 TRP 653 1HE TRP 653 -1.363 17.855 -8.994 477 HE3 TRP 653 3HE TRP 653 1.448 14.297 -6.175 478 HZ2 TRP 653 2HZ TRP 653 1.396 17.969 -9.534 479 HZ3 TRP 653 3HZ TRP 653 3.500 15.059 -7.198 480 HH2 TRP 653 HH TRP 653 3.495 16.878 -8.863 481 H ASN 654 H ASN 654 -3.973 14.476 -3.884 482 HA ASN 654 HA ASN 654 -3.524 12.638 -1.649 483 HB2 ASN 654 2HB ASN 654 -5.170 14.684 -1.619 484 HB3 ASN 654 1HB ASN 654 -6.065 13.758 -2.758 485 HD21 ASN 654 2HD ASN 654 -7.319 13.324 0.713 486 H LEU 655 H LEU 655 -3.762 10.458 -2.005 487 HA LEU 655 HA LEU 655 -5.009 9.630 -4.537 488 HB2 LEU 655 2HB LEU 655 -2.943 8.209 -2.868 489 HB3 LEU 655 1HB LEU 655 -3.629 7.626 -4.367 490 HG LEU 655 HG LEU 655 -1.786 9.975 -4.006 491 HD13 LEU 655 1HD LEU 655 -0.665 7.862 -3.906 492 HD21 LEU 655 2HD LEU 655 -1.881 10.195 -6.451 493 H GLY 656 H GLY 656 -6.036 10.086 -1.683 494 HA2 GLY 656 2HA GLY 656 -8.174 8.582 -1.602 495 HA3 GLY 656 1HA GLY 656 -6.955 7.412 -1.101 496 H ARG 657 H ARG 657 -9.207 9.399 0.040 497 HA ARG 657 HA ARG 657 -7.875 10.708 2.146 498 HB2 ARG 657 2HB ARG 657 -10.764 9.821 2.241 499 HB3 ARG 657 1HB ARG 657 -9.985 11.216 2.981 500 HG2 ARG 657 2HG ARG 657 -9.770 12.300 0.837 501 HG3 ARG 657 1HG ARG 657 -10.458 10.893 0.026 502 HD2 ARG 657 2HD ARG 657 -12.518 11.207 1.433 503 HD3 ARG 657 1HD ARG 657 -11.840 12.738 1.975 504 HE ARG 657 HE ARG 657 -12.302 12.179 -0.878 505 HH12 ARG 657 1HH ARG 657 -13.707 15.429 1.045 506 HH21 ARG 657 2HH ARG 657 -14.026 15.134 -1.316 507 H SER 658 H SER 658 -8.330 10.130 4.460 508 HA SER 658 HA SER 658 -7.345 7.645 5.152 509 HB2 SER 658 2HB SER 658 -8.249 8.239 7.404 510 HB3 SER 658 1HB SER 658 -7.179 9.463 6.683 511 HG SER 658 HG SER 658 -9.996 9.448 6.497 512 H ASN 659 H ASN 659 -8.283 5.731 4.869 513 HA ASN 659 HA ASN 659 -11.096 5.395 5.515 514 HB2 ASN 659 2HB ASN 659 -10.822 5.931 3.057 515 HB3 ASN 659 1HB ASN 659 -9.885 4.451 2.917 516 HD21 ASN 659 2HD ASN 659 -12.868 3.016 1.958 517 H ALA 660 H ALA 660 -11.545 2.984 5.822 518 HA ALA 660 HA ALA 660 -9.010 1.578 6.311 519 HB1 ALA 660 1HB ALA 660 -9.872 0.760 8.427 520 HB2 ALA 660 2HB ALA 660 -11.379 1.641 8.175 521 HB3 ALA 660 3HB ALA 660 -9.868 2.520 8.402 522 H LYS 661 H LYS 661 -11.286 1.489 4.285 523 HA LYS 661 HA LYS 661 -12.666 -0.942 4.829 524 HB2 LYS 661 2HB LYS 661 -12.556 0.640 2.256 525 HB3 LYS 661 1HB LYS 661 -13.694 -0.633 2.665 526 HG2 LYS 661 2HG LYS 661 -13.478 2.017 4.030 527 HG3 LYS 661 1HG LYS 661 -14.702 1.530 2.858 528 HD2 LYS 661 2HD LYS 661 -15.323 -0.334 4.457 529 HD3 LYS 661 1HD LYS 661 -14.197 0.462 5.589 530 HE2 LYS 661 2HE LYS 661 -15.453 2.449 5.600 531 HE3 LYS 661 1HE LYS 661 -16.472 1.850 4.283 532 HZ1 LYS 661 3HZ LYS 661 -17.399 0.212 5.773 533 HZ2 LYS 661 1HZ LYS 661 -17.581 1.749 6.414 534 HZ3 LYS 661 2HZ LYS 661 -16.419 0.723 7.054 535 H LEU 662 H LEU 662 -11.448 -2.710 4.868 536 HA LEU 662 HA LEU 662 -9.717 -3.285 2.614 537 HB2 LEU 662 2HB LEU 662 -10.328 -4.771 5.141 538 HB3 LEU 662 1HB LEU 662 -9.459 -5.524 3.819 539 HG LEU 662 HG LEU 662 -8.536 -3.146 5.446 540 HD13 LEU 662 1HD LEU 662 -8.559 -5.291 6.628 541 HD21 LEU 662 2HD LEU 662 -7.103 -4.765 3.353 542 H SER 663 H SER 663 -10.305 -4.448 1.061 543 HA SER 663 HA SER 663 -13.004 -5.602 1.050 544 HB2 SER 663 2HB SER 663 -11.200 -4.806 -1.251 545 HB3 SER 663 1HB SER 663 -12.890 -5.308 -1.356 546 HG SER 663 HG SER 663 -13.059 -3.342 0.259 547 H TYR 664 H TYR 664 -13.135 -7.721 0.545 548 HA TYR 664 HA TYR 664 -10.585 -9.135 0.189 549 HB2 TYR 664 2HB TYR 664 -11.897 -9.649 2.289 550 HB3 TYR 664 1HB TYR 664 -13.205 -10.219 1.271 551 HD1 TYR 664 2HD TYR 664 -12.347 -12.094 -0.514 552 HD2 TYR 664 1HD TYR 664 -10.526 -11.187 3.207 553 HE1 TYR 664 2HE TYR 664 -11.302 -14.308 -0.504 554 HE2 TYR 664 1HE TYR 664 -9.460 -13.409 3.219 555 HH TYR 664 HH TYR 664 -9.427 -15.431 0.472 556 H TYR 665 H TYR 665 -10.369 -9.872 -1.780 557 HA TYR 665 HA TYR 665 -12.785 -10.433 -3.375 558 HB2 TYR 665 2HB TYR 665 -11.191 -8.568 -4.166 559 HB3 TYR 665 1HB TYR 665 -10.011 -9.855 -4.429 560 HD1 TYR 665 1HD TYR 665 -13.403 -8.761 -5.273 561 HD2 TYR 665 2HD TYR 665 -10.085 -11.134 -6.425 562 HE1 TYR 665 1HE TYR 665 -14.495 -9.208 -7.362 563 HE2 TYR 665 2HE TYR 665 -11.171 -11.605 -8.577 564 HH TYR 665 HH TYR 665 -13.412 -11.643 -9.516 565 H ASP 666 H ASP 666 -12.985 -12.530 -3.882 566 HA ASP 666 HA ASP 666 -11.739 -14.486 -2.460 567 HB2 ASP 666 2HB ASP 666 -13.718 -15.036 -3.718 568 HB3 ASP 666 1HB ASP 666 -12.860 -14.826 -5.243 569 H GLY 667 H GLY 667 -9.874 -15.264 -2.226 570 HA2 GLY 667 2HA GLY 667 -7.920 -16.348 -3.018 571 HA3 GLY 667 1HA GLY 667 -8.040 -15.393 -4.490 572 H MET 668 H MET 668 -8.606 -12.934 -2.568 573 HA MET 668 HA MET 668 -5.982 -12.547 -1.409 574 HB2 MET 668 2HB MET 668 -5.429 -10.602 -2.770 575 HB3 MET 668 1HB MET 668 -5.460 -12.087 -3.721 576 HG2 MET 668 2HG MET 668 -7.736 -11.470 -4.517 577 HG3 MET 668 1HG MET 668 -7.598 -9.956 -3.629 578 HE1 MET 668 3HE MET 668 -4.923 -11.108 -7.205 579 HE2 MET 668 1HE MET 668 -6.189 -12.138 -6.547 580 HE3 MET 668 2HE MET 668 -4.727 -11.816 -5.609 581 H ILE 669 H ILE 669 -5.820 -9.968 -1.018 582 HA ILE 669 HA ILE 669 -8.400 -8.992 -0.086 583 HB ILE 669 HB ILE 669 -5.777 -8.705 1.482 584 HG12 ILE 669 1HG ILE 669 -7.056 -9.892 3.360 585 HG23 ILE 669 2HG ILE 669 -7.135 -6.712 1.665 586 HD11 ILE 669 1HD ILE 669 -6.749 -12.158 2.615 587 H GLN 670 H GLN 670 -8.708 -6.824 -0.447 588 HA GLN 670 HA GLN 670 -6.532 -5.317 -1.696 589 HB2 GLN 670 2HB GLN 670 -9.416 -5.554 -2.587 590 HB3 GLN 670 1HB GLN 670 -8.389 -4.223 -3.088 591 HG2 GLN 670 2HG GLN 670 -6.949 -5.665 -4.298 592 HG3 GLN 670 1HG GLN 670 -7.705 -7.125 -3.626 593 HE21 GLN 670 2HE GLN 670 -10.145 -5.074 -6.154 594 H LEU 671 H LEU 671 -6.649 -3.047 -1.276 595 HA LEU 671 HA LEU 671 -8.544 -2.339 0.884 596 HB2 LEU 671 2HB LEU 671 -6.010 -2.462 1.463 597 HB3 LEU 671 1HB LEU 671 -5.835 -1.035 0.466 598 HG LEU 671 HG LEU 671 -7.368 -1.269 3.074 599 HD13 LEU 671 1HD LEU 671 -5.011 -1.307 3.382 600 HD21 LEU 671 2HD LEU 671 -6.941 1.175 1.363 601 H THR 672 H THR 672 -9.900 -0.772 0.330 602 HA THR 672 HA THR 672 -9.419 0.611 -2.202 603 HB THR 672 HB THR 672 -11.999 0.170 -0.669 604 HG1 THR 672 1HG THR 672 -11.804 -1.801 -1.493 605 HG21 THR 672 2HG THR 672 -11.492 1.135 -3.498 606 H TYR 673 H TYR 673 -8.877 2.781 -2.046 607 HA TYR 673 HA TYR 673 -9.754 4.165 0.355 608 HB2 TYR 673 2HB TYR 673 -7.488 4.636 -1.478 609 HB3 TYR 673 1HB TYR 673 -8.119 5.987 -0.521 610 HD1 TYR 673 1HD TYR 673 -8.331 5.552 1.983 611 HD2 TYR 673 2HD TYR 673 -5.820 3.245 -0.540 612 HE1 TYR 673 1HE TYR 673 -7.057 4.852 3.934 613 HE2 TYR 673 2HE TYR 673 -4.515 2.524 1.441 614 HH TYR 673 HH TYR 673 -4.083 3.331 3.821 615 H ARG 674 H ARG 674 -10.021 6.605 -0.074 616 HA ARG 674 HA ARG 674 -12.387 6.706 -1.720 617 HB2 ARG 674 2HB ARG 674 -11.171 8.837 0.015 618 HB3 ARG 674 1HB ARG 674 -12.754 8.900 -0.756 619 HG2 ARG 674 2HG ARG 674 -11.870 6.932 1.351 620 HG3 ARG 674 1HG ARG 674 -12.891 8.336 1.654 621 HD2 ARG 674 2HD ARG 674 -13.590 5.978 -0.126 622 HD3 ARG 674 1HD ARG 674 -14.180 6.232 1.510 623 HE ARG 674 HE ARG 674 -14.826 8.498 0.088 624 HH12 ARG 674 1HH ARG 674 -17.178 5.312 -0.754 625 HH21 ARG 674 2HH ARG 674 -17.955 7.529 -1.142 626 H ASP 675 H ASP 675 -12.761 8.947 -2.728 627 HA ASP 675 HA ASP 675 -11.527 9.122 -5.164 628 HB2 ASP 675 2HB ASP 675 -12.743 11.172 -5.448 629 HB3 ASP 675 1HB ASP 675 -13.741 10.059 -4.536 630 H GLY 676 H GLY 676 -10.816 10.941 -2.296 631 HA2 GLY 676 2HA GLY 676 -8.843 12.018 -1.604 632 HA3 GLY 676 1HA GLY 676 -8.048 11.240 -2.960 633 H THR 677 H THR 677 -7.350 12.507 -4.536 634 HA THR 677 HA THR 677 -8.688 15.009 -4.995 635 HB THR 677 HB THR 677 -5.734 14.708 -4.448 636 HG1 THR 677 1HG THR 677 -7.816 15.374 -3.063 637 HG21 THR 677 2HG THR 677 -5.441 17.075 -5.057 638 HA PRO 678 HA PRO 678 -8.457 13.434 -9.143 639 HB2 PRO 678 2HB PRO 678 -9.324 15.471 -10.543 640 HB3 PRO 678 1HB PRO 678 -10.352 14.657 -9.414 641 HG2 PRO 678 2HG PRO 678 -8.798 17.169 -8.834 642 HG3 PRO 678 1HG PRO 678 -10.537 16.884 -8.605 643 HD2 PRO 678 2HD PRO 678 -8.840 16.606 -6.563 644 HD3 PRO 678 1HD PRO 678 -10.192 15.470 -6.785 645 H TYR 679 H TYR 679 -7.383 13.505 -11.016 646 HA TYR 679 HA TYR 679 -4.673 13.849 -11.132 647 HB2 TYR 679 2HB TYR 679 -6.614 14.113 -13.435 648 HB3 TYR 679 1HB TYR 679 -4.882 14.092 -13.652 649 HD1 TYR 679 1HD TYR 679 -7.441 11.979 -11.864 650 HD2 TYR 679 2HD TYR 679 -4.113 12.140 -14.495 651 HE1 TYR 679 1HE TYR 679 -7.569 9.552 -12.147 652 HE2 TYR 679 2HE TYR 679 -4.237 9.698 -14.802 653 HH TYR 679 HH TYR 679 -5.140 7.715 -13.509 654 H ASN 680 H ASN 680 -6.406 15.894 -13.332 655 HA ASN 680 HA ASN 680 -5.937 18.506 -12.662 656 HB2 ASN 680 2HB ASN 680 -3.823 19.087 -13.844 657 HB3 ASN 680 1HB ASN 680 -3.489 17.968 -12.533 658 HD21 ASN 680 2HD ASN 680 -2.740 16.934 -16.390 659 H ASN 681 H ASN 681 -7.564 16.568 -14.258 660 HA ASN 681 HA ASN 681 -6.955 17.348 -16.986 661 HB2 ASN 681 2HB ASN 681 -8.161 15.275 -17.644 662 HB3 ASN 681 1HB ASN 681 -6.745 14.968 -16.659 663 HD21 ASN 681 2HD ASN 681 -9.747 12.910 -15.591 664 H GLU 682 H GLU 682 -8.887 17.405 -18.452 665 HA GLU 682 HA GLU 682 -10.724 19.381 -17.732 666 HB2 GLU 682 2HB GLU 682 -10.155 18.781 -20.050 667 HB3 GLU 682 1HB GLU 682 -10.978 17.240 -19.855 668 HG2 GLU 682 2HG GLU 682 -13.086 18.494 -19.455 669 HG3 GLU 682 1HG GLU 682 -12.224 19.981 -19.839 670 H LYS 683 H LYS 683 -10.914 15.927 -17.688 671 HA LYS 683 HA LYS 683 -13.689 15.711 -17.110 672 HB2 LYS 683 2HB LYS 683 -12.428 14.041 -18.318 673 HB3 LYS 683 1HB LYS 683 -11.414 13.762 -16.916 674 HG2 LYS 683 2HG LYS 683 -13.319 12.873 -15.710 675 HG3 LYS 683 1HG LYS 683 -14.358 13.195 -17.105 676 HD2 LYS 683 2HD LYS 683 -13.036 11.757 -18.467 677 HD3 LYS 683 1HD LYS 683 -11.930 11.436 -17.125 678 HE2 LYS 683 2HE LYS 683 -13.495 9.590 -17.402 679 HE3 LYS 683 1HE LYS 683 -13.777 10.419 -15.867 680 HZ1 LYS 683 3HZ LYS 683 -15.641 11.578 -16.918 681 HZ2 LYS 683 1HZ LYS 683 -15.830 9.908 -16.991 682 HZ3 LYS 683 2HZ LYS 683 -15.362 10.766 -18.359 683 H ARG 684 H ARG 684 -10.925 16.500 -15.149 684 HA ARG 684 HA ARG 684 -10.330 16.254 -13.079 685 HB2 ARG 684 2HB ARG 684 -11.849 18.175 -13.089 686 HB3 ARG 684 1HB ARG 684 -13.180 17.116 -12.653 687 HG2 ARG 684 2HG ARG 684 -12.250 16.666 -10.538 688 HG3 ARG 684 1HG ARG 684 -10.721 17.433 -10.976 689 HD2 ARG 684 2HD ARG 684 -11.926 18.979 -9.651 690 HD3 ARG 684 1HD ARG 684 -11.905 19.436 -11.376 691 HE ARG 684 HE ARG 684 -14.241 18.090 -11.091 692 HH12 ARG 684 1HH ARG 684 -14.352 21.696 -9.232 693 HH21 ARG 684 2HH ARG 684 -16.381 20.648 -9.996 694 H THR 685 H THR 685 -9.929 14.181 -13.143 695 HA THR 685 HA THR 685 -11.962 12.343 -12.157 696 HB THR 685 HB THR 685 -9.282 11.793 -13.405 697 HG1 THR 685 1HG THR 685 -11.848 12.307 -14.348 698 HG21 THR 685 2HG THR 685 -10.154 9.543 -13.666 699 HA PRO 686 HA PRO 686 -9.824 12.514 -8.151 700 HB2 PRO 686 2HB PRO 686 -11.228 10.411 -7.076 701 HB3 PRO 686 1HB PRO 686 -11.768 12.084 -7.026 702 HG2 PRO 686 2HG PRO 686 -12.574 9.862 -8.838 703 HG3 PRO 686 1HG PRO 686 -13.554 11.182 -8.183 704 HD2 PRO 686 2HD PRO 686 -12.685 11.143 -10.724 705 HD3 PRO 686 1HD PRO 686 -12.883 12.658 -9.822 706 H ARG 687 H ARG 687 -8.009 11.547 -7.483 707 HA ARG 687 HA ARG 687 -7.219 9.021 -8.662 708 HB2 ARG 687 2HB ARG 687 -5.746 11.126 -7.099 709 HB3 ARG 687 1HB ARG 687 -5.038 9.567 -7.478 710 HG2 ARG 687 2HG ARG 687 -5.207 10.028 -9.842 711 HG3 ARG 687 1HG ARG 687 -6.019 11.559 -9.511 712 HD2 ARG 687 2HD ARG 687 -4.068 12.460 -8.486 713 HD3 ARG 687 1HD ARG 687 -3.264 10.892 -8.480 714 HE ARG 687 HE ARG 687 -3.640 11.195 -11.043 715 HH12 ARG 687 1HH ARG 687 -1.468 14.419 -9.847 716 HH21 ARG 687 2HH ARG 687 -1.316 13.609 -12.101 717 H ALA 688 H ALA 688 -7.346 7.235 -7.616 718 HA ALA 688 HA ALA 688 -7.617 7.249 -4.654 719 HB1 ALA 688 1HB ALA 688 -9.163 5.552 -6.623 720 HB2 ALA 688 2HB ALA 688 -9.821 6.901 -5.694 721 HB3 ALA 688 3HB ALA 688 -9.259 5.450 -4.865 722 H THR 689 H THR 689 -7.153 5.092 -3.754 723 HA THR 689 HA THR 689 -5.053 3.773 -5.311 724 HB THR 689 HB THR 689 -5.079 4.336 -2.335 725 HG1 THR 689 1HG THR 689 -4.596 6.133 -3.559 726 HG21 THR 689 2HG THR 689 -2.974 3.011 -4.060 727 H LEU 690 H LEU 690 -5.149 1.612 -5.421 728 HA LEU 690 HA LEU 690 -6.949 0.209 -3.605 729 HB2 LEU 690 2HB LEU 690 -7.837 0.500 -5.974 730 HB3 LEU 690 1HB LEU 690 -6.457 -0.403 -6.544 731 HG LEU 690 HG LEU 690 -8.480 -1.757 -6.542 732 HD13 LEU 690 1HD LEU 690 -6.581 -2.696 -4.424 733 HD21 LEU 690 2HD LEU 690 -9.700 -0.632 -4.780 734 H ILE 691 H ILE 691 -5.688 -1.018 -2.423 735 HA ILE 691 HA ILE 691 -3.056 -1.769 -3.489 736 HB ILE 691 HB ILE 691 -4.050 -1.920 -0.621 737 HG12 ILE 691 1HG ILE 691 -2.174 0.085 -1.874 738 HG23 ILE 691 2HG ILE 691 -1.676 -2.218 -0.078 739 HD11 ILE 691 1HD ILE 691 -2.453 1.367 0.176 740 H THR 692 H THR 692 -2.706 -3.829 -4.045 741 HA THR 692 HA THR 692 -4.802 -5.768 -3.448 742 HB THR 692 HB THR 692 -2.673 -5.740 -5.527 743 HG1 THR 692 1HG THR 692 -4.770 -4.235 -5.269 744 HG21 THR 692 2HG THR 692 -3.626 -7.956 -5.096 745 H PHE 693 H PHE 693 -4.224 -7.295 -2.015 746 HA PHE 693 HA PHE 693 -1.414 -7.568 -1.292 747 HB2 PHE 693 2HB PHE 693 -3.938 -8.403 0.070 748 HB3 PHE 693 1HB PHE 693 -2.322 -8.617 0.743 749 HD1 PHE 693 1HD PHE 693 -4.726 -6.005 -0.367 750 HD2 PHE 693 2HD PHE 693 -1.294 -6.870 1.986 751 HE1 PHE 693 1HE PHE 693 -4.876 -3.808 0.652 752 HE2 PHE 693 2HE PHE 693 -1.435 -4.653 3.005 753 HZ PHE 693 HZ PHE 693 -3.236 -3.117 2.337 754 H LEU 694 H LEU 694 -0.369 -9.344 -1.672 755 HA LEU 694 HA LEU 694 -1.823 -11.660 -2.715 756 HB2 LEU 694 2HB LEU 694 0.996 -10.746 -3.296 757 HB3 LEU 694 1HB LEU 694 0.303 -12.245 -3.854 758 HG LEU 694 HG LEU 694 0.388 -10.764 -5.645 759 HD13 LEU 694 1HD LEU 694 -1.959 -10.539 -6.334 760 HD21 LEU 694 2HD LEU 694 -1.112 -8.728 -4.009 761 H CYS 695 H CYS 695 -1.081 -13.644 -2.097 762 HA CYS 695 HA CYS 695 -0.025 -13.757 0.571 763 HB2 CYS 695 2HB CYS 695 -1.877 -15.208 0.002 764 HB3 CYS 695 1HB CYS 695 -0.985 -15.914 -1.336 765 H ASP 696 H ASP 696 2.072 -13.838 0.963 766 HA ASP 696 HA ASP 696 3.795 -15.357 -0.839 767 HB2 ASP 696 2HB ASP 696 3.985 -12.869 -1.318 768 HB3 ASP 696 1HB ASP 696 4.566 -12.674 0.333 769 H ARG 697 H ARG 697 5.415 -16.422 0.289 770 HA ARG 697 HA ARG 697 4.773 -16.705 3.087 771 HB2 ARG 697 2HB ARG 697 6.691 -18.287 1.395 772 HB3 ARG 697 1HB ARG 697 6.292 -18.640 3.068 773 HG2 ARG 697 2HG ARG 697 3.937 -18.954 2.412 774 HG3 ARG 697 1HG ARG 697 4.401 -18.686 0.729 775 HD2 ARG 697 2HD ARG 697 4.253 -21.059 1.192 776 HD3 ARG 697 1HD ARG 697 5.926 -20.605 0.863 777 HE ARG 697 HE ARG 697 5.213 -20.580 3.649 778 HH12 ARG 697 1HH ARG 697 7.186 -23.730 2.049 779 HH21 ARG 697 2HH ARG 697 7.130 -23.418 4.376 780 H ASP 698 H ASP 698 7.215 -15.041 1.308 781 HA ASP 698 HA ASP 698 8.533 -14.492 3.844 782 HB2 ASP 698 2HB ASP 698 10.044 -15.416 1.394 783 HB3 ASP 698 1HB ASP 698 10.801 -14.533 2.704 784 H ALA 699 H ALA 699 8.289 -12.524 4.118 785 HA ALA 699 HA ALA 699 9.385 -10.530 2.431 786 HB1 ALA 699 1HB ALA 699 7.274 -9.289 2.025 787 HB2 ALA 699 2HB ALA 699 6.363 -10.644 2.695 788 HB3 ALA 699 3HB ALA 699 7.274 -10.850 1.202 789 H GLY 700 H GLY 700 6.753 -10.993 4.742 790 HA2 GLY 700 2HA GLY 700 7.462 -10.754 7.114 791 HA3 GLY 700 1HA GLY 700 8.165 -9.226 6.577 792 H VAL 701 H VAL 701 7.004 -7.613 7.131 793 HA VAL 701 HA VAL 701 4.208 -7.808 7.570 794 HB VAL 701 HB VAL 701 5.759 -6.213 8.693 795 HG13 VAL 701 1HG VAL 701 7.114 -5.438 6.925 796 HG21 VAL 701 2HG VAL 701 3.350 -4.986 7.385 797 H GLY 702 H GLY 702 6.274 -6.956 4.970 798 HA2 GLY 702 2HA GLY 702 5.337 -7.761 2.884 799 HA3 GLY 702 1HA GLY 702 3.932 -6.787 3.232 800 H PHE 703 H PHE 703 5.693 -6.814 1.092 801 HA PHE 703 HA PHE 703 6.727 -4.048 1.133 802 HB2 PHE 703 2HB PHE 703 7.685 -6.325 -0.627 803 HB3 PHE 703 1HB PHE 703 8.272 -4.674 -0.689 804 HD1 PHE 703 2HD PHE 703 9.416 -3.760 1.399 805 HD2 PHE 703 1HD PHE 703 8.668 -7.897 0.766 806 HE1 PHE 703 2HE PHE 703 11.164 -4.322 3.040 807 HE2 PHE 703 1HE PHE 703 10.412 -8.465 2.405 808 HZ PHE 703 HZ PHE 703 11.660 -6.679 3.545 809 HA PRO 704 HA PRO 704 3.426 -3.718 -2.004 810 HB2 PRO 704 2HB PRO 704 3.210 -1.027 -1.863 811 HB3 PRO 704 1HB PRO 704 2.406 -2.091 -0.711 812 HG2 PRO 704 2HG PRO 704 4.939 -0.544 -0.417 813 HG3 PRO 704 1HG PRO 704 3.642 -0.803 0.761 814 HD2 PRO 704 2HD PRO 704 5.982 -2.190 0.815 815 HD3 PRO 704 1HD PRO 704 4.447 -2.858 1.390 816 H GLU 705 H GLU 705 3.629 -3.297 -4.104 817 HA GLU 705 HA GLU 705 5.909 -1.707 -5.058 818 HB2 GLU 705 2HB GLU 705 6.304 -4.133 -5.289 819 HB3 GLU 705 1HB GLU 705 4.811 -4.280 -6.202 820 HG2 GLU 705 2HG GLU 705 6.678 -4.263 -7.694 821 HG3 GLU 705 1HG GLU 705 5.727 -2.795 -7.902 822 H TYR 706 H TYR 706 5.338 -0.262 -6.609 823 HA TYR 706 HA TYR 706 2.565 0.071 -7.265 824 HB2 TYR 706 2HB TYR 706 3.753 2.085 -7.058 825 HB3 TYR 706 1HB TYR 706 5.045 1.620 -8.132 826 HD1 TYR 706 2HD TYR 706 1.389 2.198 -8.061 827 HD2 TYR 706 1HD TYR 706 4.978 2.255 -10.323 828 HE1 TYR 706 2HE TYR 706 0.192 3.210 -9.874 829 HE2 TYR 706 1HE TYR 706 3.812 3.294 -12.188 830 HH TYR 706 HH TYR 706 0.777 4.664 -11.931 831 H GLN 707 H GLN 707 1.466 -0.691 -8.927 832 HA GLN 707 HA GLN 707 3.014 -2.141 -10.931 833 HB2 GLN 707 2HB GLN 707 0.188 -2.550 -10.003 834 HB3 GLN 707 1HB GLN 707 0.902 -3.395 -11.369 835 HG2 GLN 707 2HG GLN 707 1.917 -3.493 -8.541 836 HG3 GLN 707 1HG GLN 707 0.903 -4.716 -9.309 837 HE21 GLN 707 2HE GLN 707 4.875 -4.536 -10.113 838 H GLU 708 H GLU 708 -0.291 -0.736 -11.005 839 HA GLU 708 HA GLU 708 0.532 0.760 -13.334 840 HB2 GLU 708 2HB GLU 708 -1.190 -0.254 -14.761 841 HB3 GLU 708 1HB GLU 708 0.119 -1.339 -14.295 842 HG2 GLU 708 2HG GLU 708 -1.358 -2.357 -12.608 843 HG3 GLU 708 1HG GLU 708 -2.650 -1.263 -13.087 844 H GLU 709 H GLU 709 -0.204 2.662 -12.885 845 HA GLU 709 HA GLU 709 -2.948 2.997 -11.948 846 HB2 GLU 709 2HB GLU 709 -0.944 4.539 -11.323 847 HB3 GLU 709 1HB GLU 709 -1.123 5.215 -12.934 848 HG2 GLU 709 2HG GLU 709 -3.180 5.246 -10.722 849 HG3 GLU 709 1HG GLU 709 -2.177 6.595 -11.218 850 H ASP 710 H ASP 710 -4.533 3.772 -13.353 851 HA ASP 710 HA ASP 710 -4.204 4.343 -16.086 852 HB2 ASP 710 2HB ASP 710 -3.418 2.005 -16.223 853 HB3 ASP 710 1HB ASP 710 -4.915 1.458 -15.485 854 H ASN 711 H ASN 711 -6.140 2.329 -14.057 855 HA ASN 711 HA ASN 711 -8.659 3.342 -15.044 856 HB2 ASN 711 2HB ASN 711 -9.700 1.671 -13.620 857 HB3 ASN 711 1HB ASN 711 -8.372 0.963 -14.505 858 HD21 ASN 711 2HD ASN 711 -6.489 1.137 -11.151 859 H SER 712 H SER 712 -7.008 5.326 -13.652 860 HA SER 712 HA SER 712 -7.130 7.070 -12.345 861 HB2 SER 712 2HB SER 712 -9.282 7.945 -11.480 862 HB3 SER 712 1HB SER 712 -9.432 7.425 -13.149 863 HG SER 712 HG SER 712 -10.203 5.368 -12.106 864 H THR 713 H THR 713 -7.081 4.199 -11.235 865 HA THR 713 HA THR 713 -6.836 5.042 -8.468 866 HB THR 713 HB THR 713 -7.997 2.438 -9.481 867 HG1 THR 713 1HG THR 713 -9.062 4.837 -9.086 868 HG21 THR 713 2HG THR 713 -8.546 2.043 -7.123 869 H TYR 714 H TYR 714 -4.922 4.574 -7.653 870 HA TYR 714 HA TYR 714 -2.915 3.287 -9.244 871 HB2 TYR 714 2HB TYR 714 -2.867 4.462 -6.457 872 HB3 TYR 714 1HB TYR 714 -1.465 3.731 -7.220 873 HD1 TYR 714 1HD TYR 714 -3.978 6.456 -7.706 874 HD2 TYR 714 2HD TYR 714 -0.052 5.033 -8.524 875 HE1 TYR 714 1HE TYR 714 -3.413 8.611 -8.759 876 HE2 TYR 714 2HE TYR 714 0.516 7.174 -9.575 877 HH TYR 714 HH TYR 714 -1.413 9.949 -9.282 878 H ASN 715 H ASN 715 -2.654 1.188 -9.303 879 HA ASN 715 HA ASN 715 -3.527 -0.408 -7.012 880 HB2 ASN 715 2HB ASN 715 -3.081 -0.983 -9.859 881 HB3 ASN 715 1HB ASN 715 -2.963 -2.342 -8.737 882 HD21 ASN 715 2HD ASN 715 -6.459 -2.580 -8.217 883 H PHE 716 H PHE 716 -2.230 -1.272 -5.732 884 HA PHE 716 HA PHE 716 0.611 -1.463 -6.429 885 HB2 PHE 716 2HB PHE 716 -0.693 -1.009 -3.744 886 HB3 PHE 716 1HB PHE 716 1.008 -1.395 -3.950 887 HD1 PHE 716 1HD PHE 716 -1.587 1.138 -4.554 888 HD2 PHE 716 2HD PHE 716 2.556 0.219 -4.682 889 HE1 PHE 716 1HE PHE 716 -1.066 3.522 -4.880 890 HE2 PHE 716 2HE PHE 716 3.080 2.592 -5.005 891 HZ PHE 716 HZ PHE 716 1.281 4.240 -5.113 892 H ARG 717 H ARG 717 1.682 -3.256 -5.916 893 HA ARG 717 HA ARG 717 0.087 -5.666 -5.366 894 HB2 ARG 717 2HB ARG 717 1.355 -5.625 -7.467 895 HB3 ARG 717 1HB ARG 717 2.828 -5.239 -6.595 896 HG2 ARG 717 2HG ARG 717 2.811 -7.353 -5.553 897 HG3 ARG 717 1HG ARG 717 1.269 -7.797 -6.316 898 HD2 ARG 717 2HD ARG 717 3.042 -8.839 -7.572 899 HD3 ARG 717 1HD ARG 717 2.420 -7.499 -8.532 900 HE ARG 717 HE ARG 717 4.571 -6.574 -7.017 901 HH12 ARG 717 1HH ARG 717 5.529 -8.580 -10.400 902 HH21 ARG 717 2HH ARG 717 7.101 -7.240 -9.404 903 H TRP 718 H TRP 718 0.247 -6.319 -3.292 904 HA TRP 718 HA TRP 718 2.654 -5.564 -1.757 905 HB2 TRP 718 2HB TRP 718 0.437 -4.458 -1.175 906 HB3 TRP 718 1HB TRP 718 -0.158 -6.046 -0.761 907 HD1 TRP 718 HD TRP 718 1.881 -7.219 1.165 908 HE1 TRP 718 1HE TRP 718 2.445 -6.060 3.434 909 HE3 TRP 718 3HE TRP 718 0.372 -2.466 0.097 910 HZ2 TRP 718 2HZ TRP 718 2.277 -3.548 4.560 911 HZ3 TRP 718 3HZ TRP 718 0.589 -0.747 1.848 912 HH2 TRP 718 HH TRP 718 1.525 -1.283 4.015 913 H TYR 719 H TYR 719 3.856 -7.363 -1.469 914 HA TYR 719 HA TYR 719 2.511 -9.929 -1.237 915 HB2 TYR 719 2HB TYR 719 5.447 -9.223 -1.375 916 HB3 TYR 719 1HB TYR 719 4.867 -10.857 -1.108 917 HD1 TYR 719 2HD TYR 719 3.287 -11.825 -2.920 918 HD2 TYR 719 1HD TYR 719 5.790 -8.441 -3.539 919 HE1 TYR 719 2HE TYR 719 3.167 -12.193 -5.341 920 HE2 TYR 719 1HE TYR 719 5.669 -8.802 -5.969 921 HH TYR 719 HH TYR 719 5.250 -10.679 -7.488 922 H THR 720 H THR 720 1.830 -10.503 0.759 923 HA THR 720 HA THR 720 3.590 -9.970 2.991 924 HB THR 720 HB THR 720 2.102 -8.048 3.053 925 HG1 THR 720 1HG THR 720 2.231 -8.325 5.097 926 HG21 THR 720 2HG THR 720 0.193 -8.957 1.813 927 H SER 721 H SER 721 3.508 -11.463 4.646 928 HA SER 721 HA SER 721 2.389 -13.977 4.064 929 HB2 SER 721 2HB SER 721 3.199 -14.493 6.395 930 HB3 SER 721 1HB SER 721 4.434 -13.829 5.323 931 HG SER 721 HG SER 721 3.618 -12.910 7.654 932 H TYR 722 H TYR 722 1.229 -11.139 5.673 933 HA TYR 722 HA TYR 722 -0.720 -12.382 7.291 934 HB2 TYR 722 2HB TYR 722 -0.440 -9.528 6.373 935 HB3 TYR 722 1HB TYR 722 -1.627 -10.086 7.510 936 HD1 TYR 722 1HD TYR 722 -0.921 -11.040 9.713 937 HD2 TYR 722 2HD TYR 722 1.839 -9.147 7.099 938 HE1 TYR 722 1HE TYR 722 0.654 -10.767 11.588 939 HE2 TYR 722 2HE TYR 722 3.418 -8.877 8.970 940 HH TYR 722 HH TYR 722 3.093 -10.490 11.883 941 H ALA 723 H ALA 723 -0.577 -11.864 3.964 942 HA ALA 723 HA ALA 723 -3.477 -11.761 3.645 943 HB1 ALA 723 1HB ALA 723 -2.990 -11.671 1.233 944 HB2 ALA 723 2HB ALA 723 -1.273 -11.886 1.574 945 HB3 ALA 723 3HB ALA 723 -2.105 -10.424 2.111 946 H CYS 724 H CYS 724 -1.327 -13.988 4.438 947 HA CYS 724 HA CYS 724 -2.533 -16.147 2.892 948 HB2 CYS 724 2HB CYS 724 -0.066 -16.124 4.638 949 HB3 CYS 724 1HB CYS 724 -0.635 -17.459 3.648 950 HA PRO 725 HA PRO 725 -4.437 -17.166 6.887 951 HB2 PRO 725 2HB PRO 725 -4.790 -19.898 5.859 952 HB3 PRO 725 1HB PRO 725 -6.030 -18.715 6.279 953 HG2 PRO 725 2HG PRO 725 -5.525 -19.457 3.727 954 HG3 PRO 725 1HG PRO 725 -6.092 -17.836 4.153 955 HD2 PRO 725 2HD PRO 725 -3.330 -18.762 3.475 956 HD3 PRO 725 1HD PRO 725 -4.170 -17.259 3.026 Start of MODEL 15 1 H1 GLU 578 1HT GLU 578 -20.840 -1.540 5.541 2 H2 GLU 578 2HT GLU 578 -21.733 -1.713 4.112 3 H3 GLU 578 3HT GLU 578 -20.545 -2.811 4.469 4 HA GLU 578 HA GLU 578 -21.797 -3.632 6.364 5 HB2 GLU 578 2HB GLU 578 -23.916 -1.726 5.350 6 HB3 GLU 578 1HB GLU 578 -24.108 -2.881 6.655 7 HG2 GLU 578 2HG GLU 578 -22.515 -1.670 8.008 8 HG3 GLU 578 1HG GLU 578 -22.215 -0.547 6.679 9 H ALA 579 H ALA 579 -22.176 -5.617 5.589 10 HA ALA 579 HA ALA 579 -23.506 -5.863 2.991 11 HB1 ALA 579 1HB ALA 579 -21.376 -7.037 3.239 12 HB2 ALA 579 2HB ALA 579 -22.696 -8.185 3.023 13 HB3 ALA 579 3HB ALA 579 -22.014 -7.915 4.626 14 H GLU 580 H GLU 580 -23.473 -7.591 6.073 15 HA GLU 580 HA GLU 580 -25.007 -8.339 7.456 16 HB2 GLU 580 2HB GLU 580 -26.939 -6.583 5.958 17 HB3 GLU 580 1HB GLU 580 -27.344 -7.464 7.425 18 HG2 GLU 580 2HG GLU 580 -25.228 -5.337 7.159 19 HG3 GLU 580 1HG GLU 580 -26.808 -5.147 7.922 20 H ALA 581 H ALA 581 -26.044 -8.609 4.115 21 HA ALA 581 HA ALA 581 -27.721 -10.852 4.674 22 HB1 ALA 581 1HB ALA 581 -26.579 -9.984 2.016 23 HB2 ALA 581 2HB ALA 581 -28.104 -9.419 2.705 24 HB3 ALA 581 3HB ALA 581 -27.909 -11.111 2.271 25 H GLU 582 H GLU 582 -24.686 -10.661 2.786 26 HA GLU 582 HA GLU 582 -23.451 -12.785 4.167 27 HB2 GLU 582 2HB GLU 582 -23.463 -14.489 2.418 28 HB3 GLU 582 1HB GLU 582 -25.115 -14.113 2.869 29 HG2 GLU 582 2HG GLU 582 -25.320 -12.687 0.876 30 HG3 GLU 582 1HG GLU 582 -23.663 -13.113 0.445 31 H PHE 583 H PHE 583 -21.419 -13.437 2.871 32 HA PHE 583 HA PHE 583 -20.507 -11.136 1.308 33 HB2 PHE 583 2HB PHE 583 -18.893 -12.948 3.128 34 HB3 PHE 583 1HB PHE 583 -18.231 -11.647 2.147 35 HD1 PHE 583 2HD PHE 583 -18.834 -9.280 2.694 36 HD2 PHE 583 1HD PHE 583 -19.867 -12.524 5.243 37 HE1 PHE 583 2HE PHE 583 -19.194 -7.712 4.552 38 HE2 PHE 583 1HE PHE 583 -20.226 -10.957 7.099 39 HZ PHE 583 HZ PHE 583 -19.892 -8.553 6.756 40 H LEU 584 H LEU 584 -20.388 -11.700 -0.740 41 HA LEU 584 HA LEU 584 -19.512 -14.399 -1.410 42 HB2 LEU 584 2HB LEU 584 -21.217 -14.647 -3.100 43 HB3 LEU 584 1HB LEU 584 -21.972 -14.350 -1.559 44 HG LEU 584 HG LEU 584 -21.709 -12.331 -3.809 45 HD13 LEU 584 1HD LEU 584 -23.225 -14.139 -4.353 46 HD21 LEU 584 2HD LEU 584 -21.819 -11.213 -1.615 47 H SER 585 H SER 585 -17.992 -14.445 -2.857 48 HA SER 585 HA SER 585 -16.359 -13.886 -4.213 49 HB2 SER 585 2HB SER 585 -16.837 -12.587 -6.301 50 HB3 SER 585 1HB SER 585 -17.999 -13.872 -6.007 51 HG SER 585 HG SER 585 -19.324 -12.176 -5.040 52 H ARG 586 H ARG 586 -17.931 -10.780 -3.583 53 HA ARG 586 HA ARG 586 -15.264 -9.731 -2.960 54 HB2 ARG 586 2HB ARG 586 -16.469 -8.798 -5.052 55 HB3 ARG 586 1HB ARG 586 -17.621 -8.096 -3.940 56 HG2 ARG 586 2HG ARG 586 -14.657 -7.467 -3.981 57 HG3 ARG 586 1HG ARG 586 -15.899 -6.509 -4.766 58 HD2 ARG 586 2HD ARG 586 -15.665 -7.023 -1.796 59 HD3 ARG 586 1HD ARG 586 -15.163 -5.551 -2.627 60 HE ARG 586 HE ARG 586 -17.947 -6.373 -2.876 61 HH12 ARG 586 1HH ARG 586 -16.786 -3.052 -0.867 62 HH21 ARG 586 2HH ARG 586 -19.073 -3.475 -1.291 63 H THR 587 H THR 587 -15.137 -9.656 -0.878 64 HA THR 587 HA THR 587 -17.455 -9.222 0.837 65 HB THR 587 HB THR 587 -14.664 -10.263 1.227 66 HG1 THR 587 1HG THR 587 -16.123 -12.230 1.731 67 HG21 THR 587 2HG THR 587 -15.361 -10.929 3.495 68 H GLU 588 H GLU 588 -17.458 -7.399 2.201 69 HA GLU 588 HA GLU 588 -15.098 -5.662 2.012 70 HB2 GLU 588 2HB GLU 588 -17.044 -4.805 0.717 71 HB3 GLU 588 1HB GLU 588 -17.976 -4.774 2.205 72 HG2 GLU 588 2HG GLU 588 -16.415 -3.136 3.146 73 HG3 GLU 588 1HG GLU 588 -15.488 -3.172 1.651 74 H GLY 589 H GLY 589 -14.394 -4.757 3.850 75 HA2 GLY 589 2HA GLY 589 -15.772 -5.473 6.344 76 HA3 GLY 589 1HA GLY 589 -14.038 -5.183 6.189 77 H ASP 590 H ASP 590 -14.663 -3.630 8.003 78 HA ASP 590 HA ASP 590 -15.298 -1.070 6.691 79 HB2 ASP 590 2HB ASP 590 -17.211 -1.751 8.054 80 HB3 ASP 590 1HB ASP 590 -16.165 -1.882 9.469 81 H ASN 591 H ASN 591 -13.620 -2.668 9.296 82 HA ASN 591 HA ASN 591 -11.775 -0.410 9.425 83 HB2 ASN 591 2HB ASN 591 -12.230 -2.728 11.329 84 HB3 ASN 591 1HB ASN 591 -10.836 -1.669 11.448 85 HD21 ASN 591 2HD ASN 591 -14.303 0.359 12.057 86 H CYS 592 H CYS 592 -9.377 -1.408 9.935 87 HA CYS 592 HA CYS 592 -8.794 -2.871 7.614 88 HB2 CYS 592 2HB CYS 592 -6.421 -2.590 8.646 89 HB3 CYS 592 1HB CYS 592 -7.335 -1.252 7.939 90 H THR 593 H THR 593 -10.338 -4.404 9.313 91 HA THR 593 HA THR 593 -8.578 -6.730 9.501 92 HB THR 593 HB THR 593 -10.199 -7.586 11.211 93 HG1 THR 593 1HG THR 593 -11.829 -5.965 10.452 94 HG21 THR 593 2HG THR 593 -8.901 -4.962 11.979 95 H VAL 594 H VAL 594 -9.572 -8.475 8.383 96 HA VAL 594 HA VAL 594 -12.229 -7.870 7.431 97 HB VAL 594 HB VAL 594 -10.714 -7.264 5.620 98 HG13 VAL 594 1HG VAL 594 -9.806 -10.128 5.616 99 HG21 VAL 594 2HG VAL 594 -12.321 -9.732 4.963 100 H PHE 595 H PHE 595 -13.627 -9.357 7.914 101 HA PHE 595 HA PHE 595 -12.603 -12.075 7.878 102 HB2 PHE 595 2HB PHE 595 -13.289 -11.616 10.179 103 HB3 PHE 595 1HB PHE 595 -14.857 -11.027 9.631 104 HD1 PHE 595 2HD PHE 595 -12.906 -14.072 8.718 105 HD2 PHE 595 1HD PHE 595 -16.485 -12.516 10.403 106 HE1 PHE 595 2HE PHE 595 -13.796 -16.321 8.814 107 HE2 PHE 595 1HE PHE 595 -17.408 -14.795 10.520 108 HZ PHE 595 HZ PHE 595 -16.063 -16.713 9.734 109 H ASP 596 H ASP 596 -13.296 -13.337 6.491 110 HA ASP 596 HA ASP 596 -15.596 -12.525 4.853 111 HB2 ASP 596 2HB ASP 596 -13.299 -12.527 3.830 112 HB3 ASP 596 1HB ASP 596 -13.234 -14.228 4.160 113 H SER 597 H SER 597 -17.287 -13.760 5.044 114 HA SER 597 HA SER 597 -17.228 -16.115 6.568 115 HB2 SER 597 2HB SER 597 -19.655 -16.219 5.890 116 HB3 SER 597 1HB SER 597 -19.146 -14.740 6.712 117 HG SER 597 HG SER 597 -20.179 -15.082 4.278 118 H GLN 598 H GLN 598 -17.089 -15.486 3.075 119 HA GLN 598 HA GLN 598 -17.742 -18.187 2.428 120 HB2 GLN 598 2HB GLN 598 -17.011 -17.599 0.214 121 HB3 GLN 598 1HB GLN 598 -18.235 -16.437 0.781 122 HG2 GLN 598 2HG GLN 598 -16.373 -14.921 1.309 123 HG3 GLN 598 1HG GLN 598 -15.251 -16.113 0.686 124 HE21 GLN 598 2HE GLN 598 -16.008 -13.374 -1.684 125 H ALA 599 H ALA 599 -14.837 -16.310 3.001 126 HA ALA 599 HA ALA 599 -13.149 -18.386 1.971 127 HB1 ALA 599 1HB ALA 599 -11.306 -16.963 2.679 128 HB2 ALA 599 2HB ALA 599 -12.436 -15.971 3.604 129 HB3 ALA 599 3HB ALA 599 -12.536 -16.004 1.836 130 H GLY 600 H GLY 600 -14.530 -17.386 4.938 131 HA2 GLY 600 2HA GLY 600 -14.795 -18.530 6.919 132 HA3 GLY 600 1HA GLY 600 -13.848 -19.844 6.242 133 H PHE 601 H PHE 601 -12.358 -16.737 6.131 134 HA PHE 601 HA PHE 601 -10.951 -17.273 8.610 135 HB2 PHE 601 2HB PHE 601 -9.573 -16.900 5.950 136 HB3 PHE 601 1HB PHE 601 -8.755 -16.723 7.491 137 HD1 PHE 601 2HD PHE 601 -8.615 -18.720 9.012 138 HD2 PHE 601 1HD PHE 601 -9.893 -19.004 4.968 139 HE1 PHE 601 2HE PHE 601 -8.138 -21.132 9.039 140 HE2 PHE 601 1HE PHE 601 -9.421 -21.425 4.989 141 HZ PHE 601 HZ PHE 601 -8.543 -22.489 7.021 142 H SER 602 H SER 602 -10.043 -15.555 9.625 143 HA SER 602 HA SER 602 -10.902 -12.941 8.690 144 HB2 SER 602 2HB SER 602 -10.658 -12.417 11.160 145 HB3 SER 602 1HB SER 602 -11.957 -13.536 10.738 146 HG SER 602 HG SER 602 -9.776 -13.946 12.297 147 H PHE 603 H PHE 603 -9.383 -11.351 8.453 148 HA PHE 603 HA PHE 603 -6.604 -12.034 9.107 149 HB2 PHE 603 2HB PHE 603 -7.620 -10.827 6.513 150 HB3 PHE 603 1HB PHE 603 -5.930 -10.982 6.943 151 HD1 PHE 603 2HD PHE 603 -8.976 -12.829 5.944 152 HD2 PHE 603 1HD PHE 603 -4.814 -13.079 6.788 153 HE1 PHE 603 2HE PHE 603 -8.897 -15.067 4.935 154 HE2 PHE 603 1HE PHE 603 -4.748 -15.321 5.765 155 HZ PHE 603 HZ PHE 603 -6.796 -16.303 4.841 156 H ASP 604 H ASP 604 -5.821 -10.542 10.429 157 HA ASP 604 HA ASP 604 -6.822 -7.733 10.487 158 HB2 ASP 604 2HB ASP 604 -4.738 -9.141 12.190 159 HB3 ASP 604 1HB ASP 604 -5.306 -7.501 12.397 160 H LEU 605 H LEU 605 -5.973 -6.461 9.047 161 HA LEU 605 HA LEU 605 -3.156 -6.907 8.441 162 HB2 LEU 605 2HB LEU 605 -5.195 -5.327 6.854 163 HB3 LEU 605 1HB LEU 605 -3.508 -5.503 6.414 164 HG LEU 605 HG LEU 605 -5.616 -7.663 6.449 165 HD13 LEU 605 1HD LEU 605 -5.618 -6.205 4.481 166 HD21 LEU 605 2HD LEU 605 -2.653 -7.952 5.952 167 H THR 606 H THR 606 -4.593 -5.641 10.608 168 HA THR 606 HA THR 606 -4.168 -2.963 10.863 169 HB THR 606 HB THR 606 -4.166 -5.155 12.929 170 HG1 THR 606 1HG THR 606 -6.088 -4.179 11.170 171 HG21 THR 606 2HG THR 606 -3.663 -2.913 13.751 172 HA PRO 607 HA PRO 607 0.247 -4.323 12.840 173 HB2 PRO 607 2HB PRO 607 1.295 -6.509 11.473 174 HB3 PRO 607 1HB PRO 607 0.614 -6.565 13.100 175 HG2 PRO 607 2HG PRO 607 -0.663 -7.267 10.493 176 HG3 PRO 607 1HG PRO 607 -0.792 -8.079 12.062 177 HD2 PRO 607 2HD PRO 607 -2.751 -6.520 11.169 178 HD3 PRO 607 1HD PRO 607 -2.301 -6.514 12.888 179 H LEU 608 H LEU 608 -0.887 -4.548 9.593 180 HA LEU 608 HA LEU 608 1.598 -3.848 8.332 181 HB2 LEU 608 2HB LEU 608 -1.215 -4.153 7.362 182 HB3 LEU 608 1HB LEU 608 0.032 -3.518 6.286 183 HG LEU 608 HG LEU 608 1.210 -5.753 6.555 184 HD13 LEU 608 1HD LEU 608 -1.313 -6.539 7.969 185 HD21 LEU 608 2HD LEU 608 -1.605 -5.817 5.511 186 H THR 609 H THR 609 -0.848 -2.180 9.928 187 HA THR 609 HA THR 609 -0.658 0.347 8.559 188 HB THR 609 HB THR 609 -1.727 -0.359 11.309 189 HG1 THR 609 1HG THR 609 -3.017 -0.157 8.817 190 HG21 THR 609 2HG THR 609 -1.360 2.066 10.894 191 H LYS 610 H LYS 610 0.807 1.819 8.777 192 HA LYS 610 HA LYS 610 2.385 1.866 11.234 193 HB2 LYS 610 2HB LYS 610 3.462 2.105 8.423 194 HB3 LYS 610 1HB LYS 610 4.360 2.450 9.885 195 HG2 LYS 610 2HG LYS 610 4.026 0.090 10.576 196 HG3 LYS 610 1HG LYS 610 3.264 -0.209 9.020 197 HD2 LYS 610 2HD LYS 610 5.310 0.395 7.863 198 HD3 LYS 610 1HD LYS 610 6.077 0.807 9.398 199 HE2 LYS 610 2HE LYS 610 5.813 -1.517 10.139 200 HE3 LYS 610 1HE LYS 610 5.085 -1.919 8.585 201 HZ1 LYS 610 3HZ LYS 610 7.419 -2.507 8.732 202 HZ2 LYS 610 1HZ LYS 610 7.852 -0.911 8.965 203 HZ3 LYS 610 2HZ LYS 610 7.158 -1.404 7.498 204 H LYS 611 H LYS 611 2.912 3.899 11.935 205 HA LYS 611 HA LYS 611 1.342 6.142 11.106 206 HB2 LYS 611 2HB LYS 611 2.405 5.711 13.369 207 HB3 LYS 611 1HB LYS 611 3.915 6.114 12.615 208 HG2 LYS 611 2HG LYS 611 3.133 8.335 12.038 209 HG3 LYS 611 1HG LYS 611 1.576 7.989 12.783 210 HD2 LYS 611 2HD LYS 611 2.841 9.296 14.315 211 HD3 LYS 611 1HD LYS 611 2.778 7.663 14.953 212 HE2 LYS 611 2HE LYS 611 5.069 8.784 13.373 213 HE3 LYS 611 1HE LYS 611 5.027 8.839 15.137 214 HZ1 LYS 611 3HZ LYS 611 5.376 6.459 13.333 215 HZ2 LYS 611 1HZ LYS 611 4.925 6.290 14.948 216 HZ3 LYS 611 2HZ LYS 611 6.367 7.039 14.562 217 H ASP 612 H ASP 612 4.620 5.157 10.772 218 HA ASP 612 HA ASP 612 5.514 7.381 9.223 219 HB2 ASP 612 2HB ASP 612 6.686 4.685 9.802 220 HB3 ASP 612 1HB ASP 612 7.566 5.965 8.942 221 H ALA 613 H ALA 613 3.851 4.559 8.604 222 HA ALA 613 HA ALA 613 2.909 3.629 6.801 223 HB1 ALA 613 1HB ALA 613 2.194 5.898 6.438 224 HB2 ALA 613 2HB ALA 613 2.475 5.089 4.890 225 HB3 ALA 613 3HB ALA 613 3.651 6.243 5.528 226 H TYR 614 H TYR 614 3.391 3.622 4.166 227 HA TYR 614 HA TYR 614 6.092 2.524 3.928 228 HB2 TYR 614 2HB TYR 614 3.486 1.787 2.581 229 HB3 TYR 614 1HB TYR 614 5.055 1.135 2.119 230 HD1 TYR 614 2HD TYR 614 2.877 1.466 5.227 231 HD2 TYR 614 1HD TYR 614 5.710 -0.895 3.039 232 HE1 TYR 614 2HE TYR 614 2.666 -0.246 6.824 233 HE2 TYR 614 1HE TYR 614 5.477 -2.660 4.699 234 HH TYR 614 HH TYR 614 2.987 -2.627 7.005 235 H LYS 615 H LYS 615 7.268 3.154 2.149 236 HA LYS 615 HA LYS 615 5.979 5.058 0.346 237 HB2 LYS 615 2HB LYS 615 7.442 6.315 1.798 238 HB3 LYS 615 1HB LYS 615 8.812 5.307 1.492 239 HG2 LYS 615 2HG LYS 615 8.399 5.975 -0.963 240 HG3 LYS 615 1HG LYS 615 7.442 7.288 -0.285 241 HD2 LYS 615 2HD LYS 615 10.323 6.612 0.292 242 HD3 LYS 615 1HD LYS 615 9.803 7.995 -0.678 243 HE2 LYS 615 2HE LYS 615 8.779 8.935 1.386 244 HE3 LYS 615 1HE LYS 615 9.376 7.537 2.285 245 HZ1 LYS 615 3HZ LYS 615 10.858 9.400 2.566 246 HZ2 LYS 615 1HZ LYS 615 11.050 9.579 0.909 247 HZ3 LYS 615 2HZ LYS 615 11.643 8.205 1.690 248 H VAL 616 H VAL 616 6.137 4.519 -1.632 249 HA VAL 616 HA VAL 616 8.092 2.514 -2.494 250 HB VAL 616 HB VAL 616 5.788 3.696 -4.015 251 HG13 VAL 616 1HG VAL 616 6.036 1.734 -5.522 252 HG21 VAL 616 2HG VAL 616 4.875 2.503 -2.110 253 H GLU 617 H GLU 617 9.666 3.232 -3.851 254 HA GLU 617 HA GLU 617 9.621 6.125 -4.464 255 HB2 GLU 617 2HB GLU 617 12.018 4.352 -3.986 256 HB3 GLU 617 1HB GLU 617 12.061 6.073 -4.335 257 HG2 GLU 617 2HG GLU 617 10.909 6.542 -2.248 258 HG3 GLU 617 1HG GLU 617 10.826 4.814 -1.900 259 H THR 618 H THR 618 9.746 6.705 -6.634 260 HA THR 618 HA THR 618 10.647 4.576 -8.372 261 HB THR 618 HB THR 618 8.984 5.236 -10.036 262 HG1 THR 618 1HG THR 618 8.083 7.148 -8.143 263 HG21 THR 618 2HG THR 618 7.597 5.105 -7.367 264 H ASP 619 H ASP 619 10.645 6.199 -10.662 265 HA ASP 619 HA ASP 619 13.172 7.380 -10.349 266 HB2 ASP 619 2HB ASP 619 11.169 7.631 -12.573 267 HB3 ASP 619 1HB ASP 619 12.756 8.389 -12.633 268 H LYS 620 H LYS 620 9.974 8.832 -10.583 269 HA LYS 620 HA LYS 620 11.272 11.277 -9.621 270 HB2 LYS 620 2HB LYS 620 8.943 11.128 -11.503 271 HB3 LYS 620 1HB LYS 620 9.647 12.605 -10.875 272 HG2 LYS 620 2HG LYS 620 11.764 12.034 -12.053 273 HG3 LYS 620 1HG LYS 620 10.944 10.637 -12.756 274 HD2 LYS 620 2HD LYS 620 10.111 13.526 -13.103 275 HD3 LYS 620 1HD LYS 620 10.953 12.548 -14.303 276 HE2 LYS 620 2HE LYS 620 9.049 11.041 -14.452 277 HE3 LYS 620 1HE LYS 620 8.218 11.923 -13.177 278 HZ1 LYS 620 3HZ LYS 620 8.961 13.032 -15.822 279 HZ2 LYS 620 1HZ LYS 620 8.132 13.856 -14.608 280 HZ3 LYS 620 2HZ LYS 620 7.424 12.533 -15.381 281 H TYR 621 H TYR 621 8.842 9.020 -8.973 282 HA TYR 621 HA TYR 621 7.575 11.015 -7.219 283 HB2 TYR 621 2HB TYR 621 6.250 8.744 -8.667 284 HB3 TYR 621 1HB TYR 621 5.417 9.954 -7.665 285 HD1 TYR 621 2HD TYR 621 5.948 12.445 -8.460 286 HD2 TYR 621 1HD TYR 621 6.198 9.019 -10.937 287 HE1 TYR 621 2HE TYR 621 5.824 13.900 -10.489 288 HE2 TYR 621 1HE TYR 621 6.048 10.437 -12.938 289 HH TYR 621 HH TYR 621 5.230 12.630 -13.566 290 H GLU 622 H GLU 622 7.107 10.331 -5.172 291 HA GLU 622 HA GLU 622 7.717 7.534 -4.621 292 HB2 GLU 622 2HB GLU 622 8.076 8.088 -2.297 293 HB3 GLU 622 1HB GLU 622 9.057 9.203 -3.233 294 HG2 GLU 622 2HG GLU 622 7.523 10.971 -2.875 295 HG3 GLU 622 1HG GLU 622 6.330 9.882 -2.195 296 H PHE 623 H PHE 623 6.131 6.423 -3.645 297 HA PHE 623 HA PHE 623 3.635 7.912 -3.410 298 HB2 PHE 623 2HB PHE 623 4.042 4.963 -3.989 299 HB3 PHE 623 1HB PHE 623 2.485 5.755 -3.794 300 HD1 PHE 623 1HD PHE 623 5.450 5.458 -5.979 301 HD2 PHE 623 2HD PHE 623 1.487 6.974 -5.599 302 HE1 PHE 623 1HE PHE 623 5.399 5.943 -8.382 303 HE2 PHE 623 2HE PHE 623 1.445 7.456 -7.991 304 HZ PHE 623 HZ PHE 623 3.410 6.935 -9.392 305 H HIS 624 H HIS 624 3.053 8.114 -1.391 306 HA HIS 624 HA HIS 624 4.226 6.282 0.567 307 HB2 HIS 624 2HB HIS 624 4.350 9.017 0.389 308 HB3 HIS 624 1HB HIS 624 2.974 8.771 1.461 309 HD1 HIS 624 1HD HIS 624 6.538 8.953 1.382 310 HD2 HIS 624 2HD HIS 624 3.692 7.093 3.755 311 HE1 HIS 624 1HE HIS 624 7.748 8.243 3.430 312 HE2 HIS 624 2HE HIS 624 6.063 7.053 4.853 313 H ILE 625 H ILE 625 2.770 4.939 1.458 314 HA ILE 625 HA ILE 625 -0.017 5.780 1.600 315 HB ILE 625 HB ILE 625 -0.838 3.678 0.704 316 HG12 ILE 625 1HG ILE 625 2.067 3.006 0.324 317 HG23 ILE 625 2HG ILE 625 1.083 4.954 -1.254 318 HD11 ILE 625 1HD ILE 625 -0.340 1.390 -0.592 319 H ASN 626 H ASN 626 -1.137 4.609 3.089 320 HA ASN 626 HA ASN 626 0.410 2.755 4.779 321 HB2 ASN 626 2HB ASN 626 0.297 4.972 5.871 322 HB3 ASN 626 1HB ASN 626 -1.457 4.922 5.753 323 HD21 ASN 626 2HD ASN 626 -1.374 3.733 9.000 324 H VAL 627 H VAL 627 -0.771 1.029 5.538 325 HA VAL 627 HA VAL 627 -3.382 0.565 4.363 326 HB VAL 627 HB VAL 627 -1.737 -1.116 6.298 327 HG13 VAL 627 1HG VAL 627 -4.179 -1.514 6.555 328 HG21 VAL 627 2HG VAL 627 -0.782 -0.967 4.070 329 H CYS 628 H CYS 628 -5.059 1.399 5.228 330 HA CYS 628 HA CYS 628 -6.736 1.728 6.708 331 HB2 CYS 628 2HB CYS 628 -5.758 -0.259 7.956 332 HB3 CYS 628 1HB CYS 628 -4.772 0.864 8.821 333 H GLY 629 H GLY 629 -7.347 3.527 7.628 334 HA2 GLY 629 2HA GLY 629 -7.333 5.634 8.641 335 HA3 GLY 629 1HA GLY 629 -5.754 5.248 9.296 336 HA PRO 630 HA PRO 630 -4.711 8.237 6.128 337 HB2 PRO 630 2HB PRO 630 -3.554 9.975 7.687 338 HB3 PRO 630 1HB PRO 630 -5.315 9.863 7.625 339 HG2 PRO 630 2HG PRO 630 -3.424 8.729 9.682 340 HG3 PRO 630 1HG PRO 630 -4.980 9.574 9.955 341 HD2 PRO 630 2HD PRO 630 -4.495 6.866 9.931 342 HD3 PRO 630 1HD PRO 630 -6.084 7.622 9.699 343 H VAL 631 H VAL 631 -2.497 9.281 5.870 344 HA VAL 631 HA VAL 631 -0.361 7.482 6.729 345 HB VAL 631 HB VAL 631 -0.686 7.522 4.280 346 HG13 VAL 631 1HG VAL 631 -0.111 10.460 4.367 347 HG21 VAL 631 2HG VAL 631 1.527 7.151 5.038 348 H SER 632 H SER 632 1.213 8.386 8.026 349 HA SER 632 HA SER 632 0.910 11.223 8.448 350 HB2 SER 632 2HB SER 632 0.802 9.763 10.470 351 HB3 SER 632 1HB SER 632 2.439 9.214 10.128 352 HG SER 632 HG SER 632 1.553 11.482 11.315 353 H VAL 633 H VAL 633 1.836 11.758 6.551 354 HA VAL 633 HA VAL 633 4.736 11.785 6.738 355 HB VAL 633 HB VAL 633 4.029 10.118 5.012 356 HG13 VAL 633 1HG VAL 633 2.848 12.359 3.493 357 HG21 VAL 633 2HG VAL 633 5.506 10.840 3.231 358 H GLY 634 H GLY 634 5.731 13.675 5.944 359 HA2 GLY 634 2HA GLY 634 4.127 16.018 6.283 360 HA3 GLY 634 1HA GLY 634 5.845 15.958 5.919 361 H ALA 635 H ALA 635 4.394 14.081 3.729 362 HA ALA 635 HA ALA 635 4.599 16.022 1.632 363 HB1 ALA 635 1HB ALA 635 5.301 13.696 1.270 364 HB2 ALA 635 2HB ALA 635 4.038 14.175 0.136 365 HB3 ALA 635 3HB ALA 635 3.638 13.161 1.521 366 H CYS 636 H CYS 636 1.952 14.169 3.164 367 HA CYS 636 HA CYS 636 0.165 16.220 2.077 368 HB2 CYS 636 2HB CYS 636 -0.331 13.256 1.955 369 HB3 CYS 636 1HB CYS 636 -1.617 14.438 1.760 370 HA PRO 637 HA PRO 637 -1.636 16.966 6.005 371 HB2 PRO 637 2HB PRO 637 -4.223 16.557 4.571 372 HB3 PRO 637 1HB PRO 637 -3.742 17.867 5.651 373 HG2 PRO 637 2HG PRO 637 -3.760 18.270 3.048 374 HG3 PRO 637 1HG PRO 637 -2.420 18.893 4.030 375 HD2 PRO 637 2HD PRO 637 -2.493 16.535 2.206 376 HD3 PRO 637 1HD PRO 637 -1.177 17.681 2.531 377 HA PRO 638 HA PRO 638 -2.609 13.090 7.997 378 HB2 PRO 638 2HB PRO 638 -4.574 14.666 9.583 379 HB3 PRO 638 1HB PRO 638 -3.262 13.617 10.133 380 HG2 PRO 638 2HG PRO 638 -2.998 16.244 10.260 381 HG3 PRO 638 1HG PRO 638 -1.634 15.229 9.754 382 HD2 PRO 638 2HD PRO 638 -3.461 16.918 8.094 383 HD3 PRO 638 1HD PRO 638 -1.706 16.657 7.959 384 H ASP 639 H ASP 639 -5.021 14.862 6.356 385 HA ASP 639 HA ASP 639 -7.131 12.926 6.809 386 HB2 ASP 639 2HB ASP 639 -6.994 15.200 4.839 387 HB3 ASP 639 1HB ASP 639 -8.401 14.179 5.099 388 H SER 640 H SER 640 -4.409 12.954 4.914 389 HA SER 640 HA SER 640 -5.654 11.461 2.755 390 HB2 SER 640 2HB SER 640 -4.104 13.277 2.141 391 HB3 SER 640 1HB SER 640 -2.831 12.516 3.084 392 HG SER 640 HG SER 640 -3.988 11.709 0.650 393 H GLY 641 H GLY 641 -5.221 9.330 2.397 394 HA2 GLY 641 2HA GLY 641 -3.666 7.908 4.459 395 HA3 GLY 641 1HA GLY 641 -4.966 7.191 3.502 396 H ALA 642 H ALA 642 -3.790 8.717 1.137 397 HA ALA 642 HA ALA 642 -1.320 7.283 0.707 398 HB1 ALA 642 1HB ALA 642 -2.923 5.723 -0.173 399 HB2 ALA 642 2HB ALA 642 -2.129 6.517 -1.516 400 HB3 ALA 642 3HB ALA 642 -3.758 7.019 -1.074 401 H CYS 643 H CYS 643 0.075 8.575 -0.216 402 HA CYS 643 HA CYS 643 -0.838 10.942 -1.669 403 HB2 CYS 643 2HB CYS 643 -0.656 11.723 0.539 404 HB3 CYS 643 1HB CYS 643 0.873 10.890 0.794 405 H GLN 644 H GLN 644 0.447 11.401 -3.371 406 HA GLN 644 HA GLN 644 3.145 10.264 -3.322 407 HB2 GLN 644 2HB GLN 644 3.201 10.760 -5.669 408 HB3 GLN 644 1HB GLN 644 2.208 9.322 -5.354 409 HG2 GLN 644 2HG GLN 644 0.260 10.764 -5.710 410 HG3 GLN 644 1HG GLN 644 1.306 12.155 -5.931 411 HE21 GLN 644 2HE GLN 644 0.279 10.619 -9.208 412 H VAL 645 H VAL 645 4.819 11.553 -3.833 413 HA VAL 645 HA VAL 645 4.229 14.292 -4.499 414 HB VAL 645 HB VAL 645 4.559 14.339 -2.048 415 HG13 VAL 645 1HG VAL 645 6.684 13.761 -1.024 416 HG21 VAL 645 2HG VAL 645 5.340 16.276 -3.298 417 H SER 646 H SER 646 5.617 15.176 -5.878 418 HA SER 646 HA SER 646 7.384 13.300 -7.119 419 HB2 SER 646 2HB SER 646 7.680 15.074 -8.828 420 HB3 SER 646 1HB SER 646 5.998 14.629 -8.575 421 HG SER 646 HG SER 646 5.977 16.713 -8.615 422 H ARG 647 H ARG 647 9.371 13.117 -6.657 423 HA ARG 647 HA ARG 647 10.721 14.886 -4.878 424 HB2 ARG 647 2HB ARG 647 12.634 13.386 -5.199 425 HB3 ARG 647 1HB ARG 647 11.166 12.446 -5.016 426 HG2 ARG 647 2HG ARG 647 11.133 12.395 -7.585 427 HG3 ARG 647 1HG ARG 647 12.823 12.887 -7.459 428 HD2 ARG 647 2HD ARG 647 11.552 10.433 -6.259 429 HD3 ARG 647 1HD ARG 647 12.671 10.483 -7.622 430 HE ARG 647 HE ARG 647 13.932 11.660 -5.461 431 HH12 ARG 647 1HH ARG 647 13.832 7.601 -5.347 432 HH21 ARG 647 2HH ARG 647 15.301 8.821 -3.937 433 H SER 648 H SER 648 10.113 14.752 -8.158 434 HA SER 648 HA SER 648 12.286 16.227 -9.221 435 HB2 SER 648 2HB SER 648 9.574 15.450 -10.138 436 HB3 SER 648 1HB SER 648 10.713 16.096 -11.267 437 HG SER 648 HG SER 648 11.849 14.282 -11.136 438 H ASP 649 H ASP 649 8.785 17.014 -8.592 439 HA ASP 649 HA ASP 649 9.477 19.811 -9.155 440 HB2 ASP 649 2HB ASP 649 7.739 18.601 -10.571 441 HB3 ASP 649 1HB ASP 649 6.687 18.676 -9.165 442 H ARG 650 H ARG 650 8.611 17.752 -6.697 443 HA ARG 650 HA ARG 650 8.105 17.902 -4.526 444 HB2 ARG 650 2HB ARG 650 8.598 20.881 -4.853 445 HB3 ARG 650 1HB ARG 650 8.087 20.183 -3.332 446 HG2 ARG 650 2HG ARG 650 10.455 20.525 -3.249 447 HG3 ARG 650 1HG ARG 650 10.159 18.797 -3.336 448 HD2 ARG 650 2HD ARG 650 12.027 19.449 -4.758 449 HD3 ARG 650 1HD ARG 650 10.686 18.843 -5.732 450 HE ARG 650 HE ARG 650 10.177 21.408 -5.839 451 HH12 ARG 650 1HH ARG 650 13.992 21.009 -7.140 452 HH21 ARG 650 2HH ARG 650 12.641 22.853 -7.854 453 H LYS 651 H LYS 651 6.219 18.143 -6.686 454 HA LYS 651 HA LYS 651 3.836 19.476 -5.645 455 HB2 LYS 651 2HB LYS 651 4.309 17.516 -7.885 456 HB3 LYS 651 1HB LYS 651 2.761 18.220 -7.505 457 HG2 LYS 651 2HG LYS 651 5.133 19.849 -8.250 458 HG3 LYS 651 1HG LYS 651 4.093 19.112 -9.465 459 HD2 LYS 651 2HD LYS 651 2.193 20.247 -8.319 460 HD3 LYS 651 1HD LYS 651 3.391 21.164 -7.379 461 HE2 LYS 651 2HE LYS 651 4.388 21.908 -9.555 462 HE3 LYS 651 1HE LYS 651 3.060 21.046 -10.338 463 HZ1 LYS 651 3HZ LYS 651 2.667 23.323 -8.472 464 HZ2 LYS 651 1HZ LYS 651 1.479 22.532 -9.367 465 HZ3 LYS 651 2HZ LYS 651 2.641 23.453 -10.147 466 H SER 652 H SER 652 2.272 18.321 -4.368 467 HA SER 652 HA SER 652 2.583 15.441 -4.478 468 HB2 SER 652 2HB SER 652 1.862 15.239 -2.174 469 HB3 SER 652 1HB SER 652 3.392 16.074 -2.324 470 HG SER 652 HG SER 652 2.436 18.007 -1.926 471 H TRP 653 H TRP 653 0.821 14.210 -4.387 472 HA TRP 653 HA TRP 653 -1.673 15.628 -4.964 473 HB2 TRP 653 2HB TRP 653 -0.582 13.183 -6.382 474 HB3 TRP 653 1HB TRP 653 -2.169 13.888 -6.654 475 HD1 TRP 653 HD TRP 653 -2.256 16.245 -7.944 476 HE1 TRP 653 1HE TRP 653 -0.566 17.393 -9.544 477 HE3 TRP 653 3HE TRP 653 1.970 13.525 -6.894 478 HZ2 TRP 653 2HZ TRP 653 2.093 17.179 -10.259 479 HZ3 TRP 653 3HZ TRP 653 4.009 14.055 -8.060 480 HH2 TRP 653 HH TRP 653 4.079 15.883 -9.737 481 H ASN 654 H ASN 654 -3.550 14.586 -4.320 482 HA ASN 654 HA ASN 654 -3.162 12.742 -2.085 483 HB2 ASN 654 2HB ASN 654 -4.704 14.948 -1.969 484 HB3 ASN 654 1HB ASN 654 -5.661 14.039 -3.027 485 HD21 ASN 654 2HD ASN 654 -7.395 13.291 -0.128 486 H LEU 655 H LEU 655 -3.394 10.657 -2.477 487 HA LEU 655 HA LEU 655 -4.790 9.833 -4.909 488 HB2 LEU 655 2HB LEU 655 -2.895 8.318 -3.131 489 HB3 LEU 655 1HB LEU 655 -3.539 7.770 -4.665 490 HG LEU 655 HG LEU 655 -1.590 10.019 -4.220 491 HD13 LEU 655 1HD LEU 655 -0.607 7.822 -4.020 492 HD21 LEU 655 2HD LEU 655 -3.101 10.619 -6.027 493 H GLY 656 H GLY 656 -5.649 10.421 -1.956 494 HA2 GLY 656 2HA GLY 656 -8.014 9.319 -1.848 495 HA3 GLY 656 1HA GLY 656 -7.023 7.918 -1.461 496 H ARG 657 H ARG 657 -8.937 9.959 -0.047 497 HA ARG 657 HA ARG 657 -7.366 10.904 2.084 498 HB2 ARG 657 2HB ARG 657 -10.362 10.503 1.935 499 HB3 ARG 657 1HB ARG 657 -9.462 11.358 3.177 500 HG2 ARG 657 2HG ARG 657 -8.697 12.979 1.541 501 HG3 ARG 657 1HG ARG 657 -9.620 12.142 0.290 502 HD2 ARG 657 2HD ARG 657 -10.835 14.091 1.154 503 HD3 ARG 657 1HD ARG 657 -11.689 12.589 1.495 504 HE ARG 657 HE ARG 657 -10.715 12.744 3.764 505 HH12 ARG 657 1HH ARG 657 -11.308 16.720 3.195 506 HH21 ARG 657 2HH ARG 657 -11.180 15.837 5.380 507 H SER 658 H SER 658 -7.972 10.248 4.352 508 HA SER 658 HA SER 658 -7.070 7.700 4.880 509 HB2 SER 658 2HB SER 658 -7.935 8.231 7.196 510 HB3 SER 658 1HB SER 658 -6.858 9.431 6.470 511 HG SER 658 HG SER 658 -9.039 10.043 7.495 512 H ASN 659 H ASN 659 -8.024 5.745 5.270 513 HA ASN 659 HA ASN 659 -10.853 5.432 5.551 514 HB2 ASN 659 2HB ASN 659 -10.538 5.918 3.098 515 HB3 ASN 659 1HB ASN 659 -9.552 4.466 3.010 516 HD21 ASN 659 2HD ASN 659 -12.471 2.927 2.000 517 H ALA 660 H ALA 660 -11.351 3.118 5.828 518 HA ALA 660 HA ALA 660 -8.961 1.455 6.305 519 HB1 ALA 660 1HB ALA 660 -9.902 0.668 8.408 520 HB2 ALA 660 2HB ALA 660 -11.277 1.736 8.219 521 HB3 ALA 660 3HB ALA 660 -9.663 2.422 8.448 522 H LYS 661 H LYS 661 -11.431 1.589 4.347 523 HA LYS 661 HA LYS 661 -12.857 -0.799 5.098 524 HB2 LYS 661 2HB LYS 661 -13.129 0.520 2.391 525 HB3 LYS 661 1HB LYS 661 -14.302 -0.416 3.296 526 HG2 LYS 661 2HG LYS 661 -13.395 2.348 3.895 527 HG3 LYS 661 1HG LYS 661 -14.944 1.838 3.242 528 HD2 LYS 661 2HD LYS 661 -15.416 0.647 5.308 529 HD3 LYS 661 1HD LYS 661 -13.862 1.176 5.979 530 HE2 LYS 661 2HE LYS 661 -14.568 3.513 5.515 531 HE3 LYS 661 1HE LYS 661 -16.141 2.847 5.077 532 HZ1 LYS 661 3HZ LYS 661 -16.378 2.011 7.348 533 HZ2 LYS 661 1HZ LYS 661 -16.151 3.688 7.322 534 HZ3 LYS 661 2HZ LYS 661 -14.877 2.678 7.751 535 H LEU 662 H LEU 662 -11.652 -2.584 4.977 536 HA LEU 662 HA LEU 662 -10.048 -3.163 2.635 537 HB2 LEU 662 2HB LEU 662 -10.755 -4.852 5.034 538 HB3 LEU 662 1HB LEU 662 -9.784 -5.429 3.703 539 HG LEU 662 HG LEU 662 -9.026 -3.186 5.587 540 HD13 LEU 662 1HD LEU 662 -9.037 -5.401 6.648 541 HD21 LEU 662 2HD LEU 662 -8.074 -2.949 3.327 542 H SER 663 H SER 663 -10.517 -4.731 1.127 543 HA SER 663 HA SER 663 -13.147 -5.940 1.309 544 HB2 SER 663 2HB SER 663 -11.800 -4.815 -1.164 545 HB3 SER 663 1HB SER 663 -13.330 -5.694 -1.141 546 HG SER 663 HG SER 663 -13.176 -3.611 0.616 547 H TYR 664 H TYR 664 -13.135 -8.067 0.829 548 HA TYR 664 HA TYR 664 -10.528 -9.195 0.103 549 HB2 TYR 664 2HB TYR 664 -11.448 -9.770 2.421 550 HB3 TYR 664 1HB TYR 664 -12.782 -10.590 1.638 551 HD1 TYR 664 2HD TYR 664 -10.792 -11.685 -0.608 552 HD2 TYR 664 1HD TYR 664 -10.838 -11.769 3.643 553 HE1 TYR 664 2HE TYR 664 -9.468 -13.732 -0.650 554 HE2 TYR 664 1HE TYR 664 -9.502 -13.822 3.607 555 HH TYR 664 HH TYR 664 -8.972 -15.691 2.093 556 H TYR 665 H TYR 665 -10.579 -9.918 -1.907 557 HA TYR 665 HA TYR 665 -13.152 -10.665 -3.104 558 HB2 TYR 665 2HB TYR 665 -11.819 -8.754 -4.115 559 HB3 TYR 665 1HB TYR 665 -10.535 -9.921 -4.432 560 HD1 TYR 665 1HD TYR 665 -14.141 -9.400 -4.973 561 HD2 TYR 665 2HD TYR 665 -10.536 -11.037 -6.479 562 HE1 TYR 665 1HE TYR 665 -15.300 -9.997 -6.988 563 HE2 TYR 665 2HE TYR 665 -11.683 -11.658 -8.556 564 HH TYR 665 HH TYR 665 -14.783 -10.446 -9.316 565 H ASP 666 H ASP 666 -13.234 -12.748 -3.914 566 HA ASP 666 HA ASP 666 -11.622 -14.675 -2.701 567 HB2 ASP 666 2HB ASP 666 -13.827 -15.094 -3.823 568 HB3 ASP 666 1HB ASP 666 -13.009 -14.957 -5.376 569 H GLY 667 H GLY 667 -9.542 -15.092 -2.922 570 HA2 GLY 667 2HA GLY 667 -7.733 -15.777 -4.351 571 HA3 GLY 667 1HA GLY 667 -8.299 -14.601 -5.527 572 H MET 668 H MET 668 -8.681 -12.363 -3.629 573 HA MET 668 HA MET 668 -6.102 -11.901 -2.413 574 HB2 MET 668 2HB MET 668 -5.553 -9.940 -3.731 575 HB3 MET 668 1HB MET 668 -5.432 -11.435 -4.667 576 HG2 MET 668 2HG MET 668 -7.722 -10.942 -5.598 577 HG3 MET 668 1HG MET 668 -7.667 -9.390 -4.780 578 HE1 MET 668 3HE MET 668 -4.848 -10.608 -8.235 579 HE2 MET 668 1HE MET 668 -6.103 -11.650 -7.569 580 HE3 MET 668 2HE MET 668 -4.683 -11.258 -6.605 581 H ILE 669 H ILE 669 -6.002 -10.076 -1.128 582 HA ILE 669 HA ILE 669 -8.574 -8.868 -0.516 583 HB ILE 669 HB ILE 669 -5.904 -8.629 0.962 584 HG12 ILE 669 1HG ILE 669 -7.155 -9.837 2.849 585 HG23 ILE 669 2HG ILE 669 -7.146 -6.588 1.262 586 HD11 ILE 669 1HD ILE 669 -6.810 -11.485 0.357 587 H GLN 670 H GLN 670 -8.983 -6.684 -0.817 588 HA GLN 670 HA GLN 670 -6.860 -5.049 -1.988 589 HB2 GLN 670 2HB GLN 670 -9.631 -5.464 -3.124 590 HB3 GLN 670 1HB GLN 670 -8.609 -4.105 -3.567 591 HG2 GLN 670 2HG GLN 670 -6.998 -5.523 -4.582 592 HG3 GLN 670 1HG GLN 670 -7.773 -6.991 -3.951 593 HE21 GLN 670 2HE GLN 670 -9.998 -5.056 -6.741 594 H LEU 671 H LEU 671 -6.924 -2.939 -1.402 595 HA LEU 671 HA LEU 671 -9.105 -2.138 0.429 596 HB2 LEU 671 2HB LEU 671 -6.764 -2.508 1.438 597 HB3 LEU 671 1HB LEU 671 -6.238 -1.137 0.495 598 HG LEU 671 HG LEU 671 -8.242 -1.078 2.780 599 HD13 LEU 671 1HD LEU 671 -5.994 -1.476 3.526 600 HD21 LEU 671 2HD LEU 671 -8.747 0.676 1.143 601 H THR 672 H THR 672 -10.224 -0.432 -0.287 602 HA THR 672 HA THR 672 -9.192 1.082 -2.577 603 HB THR 672 HB THR 672 -12.024 0.952 -1.488 604 HG1 THR 672 1HG THR 672 -12.203 -0.867 -2.491 605 HG21 THR 672 2HG THR 672 -10.926 1.881 -4.154 606 H TYR 673 H TYR 673 -8.583 3.163 -2.179 607 HA TYR 673 HA TYR 673 -9.515 4.341 0.293 608 HB2 TYR 673 2HB TYR 673 -7.168 4.873 -1.384 609 HB3 TYR 673 1HB TYR 673 -7.775 6.231 -0.414 610 HD1 TYR 673 1HD TYR 673 -8.211 5.702 2.020 611 HD2 TYR 673 2HD TYR 673 -5.649 3.342 -0.388 612 HE1 TYR 673 1HE TYR 673 -7.183 4.815 4.033 613 HE2 TYR 673 2HE TYR 673 -4.590 2.427 1.661 614 HH TYR 673 HH TYR 673 -4.351 3.194 4.169 615 H ARG 674 H ARG 674 -9.784 6.799 0.218 616 HA ARG 674 HA ARG 674 -12.218 7.072 -1.207 617 HB2 ARG 674 2HB ARG 674 -10.720 9.137 0.381 618 HB3 ARG 674 1HB ARG 674 -12.355 9.317 -0.234 619 HG2 ARG 674 2HG ARG 674 -11.415 7.308 1.805 620 HG3 ARG 674 1HG ARG 674 -12.365 8.753 2.144 621 HD2 ARG 674 2HD ARG 674 -14.181 7.821 0.715 622 HD3 ARG 674 1HD ARG 674 -13.225 6.354 0.515 623 HE ARG 674 HE ARG 674 -13.635 7.028 3.255 624 HH12 ARG 674 1HH ARG 674 -16.143 4.407 1.489 625 HH21 ARG 674 2HH ARG 674 -16.163 4.664 3.777 626 H ASP 675 H ASP 675 -12.668 9.319 -2.157 627 HA ASP 675 HA ASP 675 -11.736 9.363 -4.739 628 HB2 ASP 675 2HB ASP 675 -12.904 11.539 -4.875 629 HB3 ASP 675 1HB ASP 675 -13.862 10.282 -4.101 630 H GLY 676 H GLY 676 -10.689 11.379 -2.063 631 HA2 GLY 676 2HA GLY 676 -8.662 12.487 -1.715 632 HA3 GLY 676 1HA GLY 676 -8.027 11.555 -3.057 633 H THR 677 H THR 677 -7.251 12.776 -4.640 634 HA THR 677 HA THR 677 -8.527 15.322 -5.101 635 HB THR 677 HB THR 677 -5.584 14.670 -5.191 636 HG1 THR 677 1HG THR 677 -7.116 16.600 -3.774 637 HG21 THR 677 2HG THR 677 -6.125 16.071 -7.168 638 HA PRO 678 HA PRO 678 -9.060 13.410 -9.148 639 HB2 PRO 678 2HB PRO 678 -10.451 15.233 -10.389 640 HB3 PRO 678 1HB PRO 678 -11.147 14.393 -9.050 641 HG2 PRO 678 2HG PRO 678 -9.858 17.097 -8.989 642 HG3 PRO 678 1HG PRO 678 -11.410 16.605 -8.281 643 HD2 PRO 678 2HD PRO 678 -9.137 16.752 -6.782 644 HD3 PRO 678 1HD PRO 678 -10.409 15.542 -6.494 645 H TYR 679 H TYR 679 -8.361 13.535 -11.170 646 HA TYR 679 HA TYR 679 -5.893 14.697 -11.894 647 HB2 TYR 679 2HB TYR 679 -8.175 13.983 -13.741 648 HB3 TYR 679 1HB TYR 679 -6.557 14.345 -14.260 649 HD1 TYR 679 1HD TYR 679 -8.470 11.952 -12.155 650 HD2 TYR 679 2HD TYR 679 -5.133 12.588 -14.689 651 HE1 TYR 679 1HE TYR 679 -8.061 9.541 -12.205 652 HE2 TYR 679 2HE TYR 679 -4.701 10.175 -14.730 653 HH TYR 679 HH TYR 679 -5.206 8.178 -13.456 654 H ASN 680 H ASN 680 -5.732 16.139 -13.879 655 HA ASN 680 HA ASN 680 -7.334 18.581 -13.573 656 HB2 ASN 680 2HB ASN 680 -4.795 18.019 -15.145 657 HB3 ASN 680 1HB ASN 680 -5.580 19.584 -15.009 658 HD21 ASN 680 2HD ASN 680 -3.208 18.159 -12.042 659 H ASN 681 H ASN 681 -8.395 16.109 -14.766 660 HA ASN 681 HA ASN 681 -8.227 16.520 -17.619 661 HB2 ASN 681 2HB ASN 681 -9.289 14.323 -17.820 662 HB3 ASN 681 1HB ASN 681 -7.909 14.224 -16.743 663 HD21 ASN 681 2HD ASN 681 -10.918 12.352 -15.456 664 H GLU 682 H GLU 682 -10.269 16.280 -18.834 665 HA GLU 682 HA GLU 682 -12.017 18.359 -18.141 666 HB2 GLU 682 2HB GLU 682 -12.334 16.189 -20.215 667 HB3 GLU 682 1HB GLU 682 -13.332 17.632 -20.117 668 HG2 GLU 682 2HG GLU 682 -11.352 19.024 -20.480 669 HG3 GLU 682 1HG GLU 682 -10.360 17.581 -20.576 670 H LYS 683 H LYS 683 -12.090 15.048 -17.362 671 HA LYS 683 HA LYS 683 -14.874 14.978 -16.764 672 HB2 LYS 683 2HB LYS 683 -12.674 13.057 -16.255 673 HB3 LYS 683 1HB LYS 683 -14.329 12.811 -15.707 674 HG2 LYS 683 2HG LYS 683 -15.135 12.874 -17.961 675 HG3 LYS 683 1HG LYS 683 -13.519 13.261 -18.562 676 HD2 LYS 683 2HD LYS 683 -14.010 10.945 -18.875 677 HD3 LYS 683 1HD LYS 683 -12.697 11.214 -17.697 678 HE2 LYS 683 2HE LYS 683 -14.257 10.824 -15.856 679 HE3 LYS 683 1HE LYS 683 -15.579 10.566 -16.996 680 HZ1 LYS 683 3HZ LYS 683 -14.384 8.592 -17.799 681 HZ2 LYS 683 1HZ LYS 683 -14.690 8.477 -16.167 682 HZ3 LYS 683 2HZ LYS 683 -13.151 8.875 -16.699 683 H ARG 684 H ARG 684 -11.910 15.764 -14.943 684 HA ARG 684 HA ARG 684 -11.422 15.948 -12.766 685 HB2 ARG 684 2HB ARG 684 -14.364 16.703 -12.524 686 HB3 ARG 684 1HB ARG 684 -13.274 16.709 -11.156 687 HG2 ARG 684 2HG ARG 684 -13.558 18.960 -11.939 688 HG3 ARG 684 1HG ARG 684 -11.920 18.446 -12.310 689 HD2 ARG 684 2HD ARG 684 -12.855 19.700 -14.157 690 HD3 ARG 684 1HD ARG 684 -12.610 18.028 -14.629 691 HE ARG 684 HE ARG 684 -15.109 17.836 -14.025 692 HH12 ARG 684 1HH ARG 684 -15.045 21.120 -16.372 693 HH21 ARG 684 2HH ARG 684 -16.875 19.702 -16.417 694 H THR 685 H THR 685 -10.946 13.814 -13.018 695 HA THR 685 HA THR 685 -12.789 11.937 -11.792 696 HB THR 685 HB THR 685 -10.215 11.493 -13.305 697 HG1 THR 685 1HG THR 685 -12.947 11.251 -14.010 698 HG21 THR 685 2HG THR 685 -10.887 9.145 -13.341 699 HA PRO 686 HA PRO 686 -10.340 12.349 -8.014 700 HB2 PRO 686 2HB PRO 686 -11.545 10.255 -6.726 701 HB3 PRO 686 1HB PRO 686 -12.198 11.889 -6.754 702 HG2 PRO 686 2HG PRO 686 -12.933 9.495 -8.374 703 HG3 PRO 686 1HG PRO 686 -13.981 10.761 -7.716 704 HD2 PRO 686 2HD PRO 686 -13.273 10.667 -10.307 705 HD3 PRO 686 1HD PRO 686 -13.541 12.205 -9.458 706 H ARG 687 H ARG 687 -8.313 11.632 -7.934 707 HA ARG 687 HA ARG 687 -7.495 9.067 -8.922 708 HB2 ARG 687 2HB ARG 687 -6.048 11.162 -7.295 709 HB3 ARG 687 1HB ARG 687 -5.301 9.707 -7.913 710 HG2 ARG 687 2HG ARG 687 -5.583 10.481 -10.183 711 HG3 ARG 687 1HG ARG 687 -6.493 11.890 -9.618 712 HD2 ARG 687 2HD ARG 687 -4.576 12.690 -8.391 713 HD3 ARG 687 1HD ARG 687 -3.668 11.249 -8.801 714 HE ARG 687 HE ARG 687 -3.675 12.015 -11.094 715 HH12 ARG 687 1HH ARG 687 -3.831 15.748 -9.488 716 HH21 ARG 687 2HH ARG 687 -2.539 15.383 -11.436 717 H ALA 688 H ALA 688 -7.582 7.245 -7.763 718 HA ALA 688 HA ALA 688 -7.658 7.511 -4.849 719 HB1 ALA 688 1HB ALA 688 -9.353 5.657 -6.532 720 HB2 ALA 688 2HB ALA 688 -9.930 7.080 -5.666 721 HB3 ALA 688 3HB ALA 688 -9.313 5.691 -4.770 722 H THR 689 H THR 689 -7.148 5.396 -3.830 723 HA THR 689 HA THR 689 -5.068 4.033 -5.383 724 HB THR 689 HB THR 689 -5.177 4.526 -2.393 725 HG1 THR 689 1HG THR 689 -4.718 6.368 -3.666 726 HG21 THR 689 2HG THR 689 -2.879 3.654 -2.386 727 H LEU 690 H LEU 690 -5.155 1.890 -5.513 728 HA LEU 690 HA LEU 690 -7.047 0.446 -3.820 729 HB2 LEU 690 2HB LEU 690 -7.746 0.760 -6.262 730 HB3 LEU 690 1HB LEU 690 -6.336 -0.164 -6.705 731 HG LEU 690 HG LEU 690 -8.359 -1.508 -6.863 732 HD13 LEU 690 1HD LEU 690 -7.769 -3.436 -5.529 733 HD21 LEU 690 2HD LEU 690 -8.711 -0.991 -3.925 734 H ILE 691 H ILE 691 -5.868 -0.781 -2.559 735 HA ILE 691 HA ILE 691 -3.183 -1.566 -3.442 736 HB ILE 691 HB ILE 691 -4.376 -1.637 -0.646 737 HG12 ILE 691 1HG ILE 691 -2.364 0.282 -1.834 738 HG23 ILE 691 2HG ILE 691 -2.603 -3.302 -0.997 739 HD11 ILE 691 1HD ILE 691 -3.748 0.370 0.832 740 H THR 692 H THR 692 -2.898 -3.567 -4.083 741 HA THR 692 HA THR 692 -4.995 -5.540 -3.587 742 HB THR 692 HB THR 692 -2.742 -5.514 -5.521 743 HG1 THR 692 1HG THR 692 -4.830 -3.968 -5.407 744 HG21 THR 692 2HG THR 692 -3.750 -7.707 -5.150 745 H PHE 693 H PHE 693 -4.463 -7.162 -2.246 746 HA PHE 693 HA PHE 693 -1.708 -7.412 -1.307 747 HB2 PHE 693 2HB PHE 693 -4.326 -8.323 -0.306 748 HB3 PHE 693 1HB PHE 693 -2.810 -8.637 0.552 749 HD1 PHE 693 1HD PHE 693 -5.123 -5.928 -0.518 750 HD2 PHE 693 2HD PHE 693 -1.789 -6.919 1.924 751 HE1 PHE 693 1HE PHE 693 -5.326 -3.787 0.627 752 HE2 PHE 693 2HE PHE 693 -1.987 -4.768 3.062 753 HZ PHE 693 HZ PHE 693 -3.764 -3.201 2.411 754 H LEU 694 H LEU 694 -0.573 -9.091 -1.876 755 HA LEU 694 HA LEU 694 -1.945 -11.417 -3.025 756 HB2 LEU 694 2HB LEU 694 0.768 -10.272 -3.654 757 HB3 LEU 694 1HB LEU 694 0.230 -11.836 -4.209 758 HG LEU 694 HG LEU 694 0.119 -10.237 -5.965 759 HD13 LEU 694 1HD LEU 694 -2.239 -10.455 -6.648 760 HD21 LEU 694 2HD LEU 694 -0.150 -8.217 -4.608 761 H CYS 695 H CYS 695 -1.137 -13.410 -2.593 762 HA CYS 695 HA CYS 695 0.002 -13.683 0.035 763 HB2 CYS 695 2HB CYS 695 -1.912 -15.056 -0.498 764 HB3 CYS 695 1HB CYS 695 -1.115 -15.684 -1.934 765 H ASP 696 H ASP 696 2.138 -13.412 0.058 766 HA ASP 696 HA ASP 696 3.658 -15.237 -1.636 767 HB2 ASP 696 2HB ASP 696 3.883 -12.768 -2.366 768 HB3 ASP 696 1HB ASP 696 4.713 -12.517 -0.832 769 H ARG 697 H ARG 697 5.109 -16.357 -0.526 770 HA ARG 697 HA ARG 697 4.794 -16.269 2.324 771 HB2 ARG 697 2HB ARG 697 6.288 -18.217 0.581 772 HB3 ARG 697 1HB ARG 697 6.100 -18.390 2.326 773 HG2 ARG 697 2HG ARG 697 3.670 -18.460 2.050 774 HG3 ARG 697 1HG ARG 697 3.867 -18.285 0.311 775 HD2 ARG 697 2HD ARG 697 5.067 -20.412 0.235 776 HD3 ARG 697 1HD ARG 697 4.874 -20.587 1.984 777 HE ARG 697 HE ARG 697 2.369 -20.156 0.847 778 HH12 ARG 697 1HH ARG 697 3.655 -23.981 0.701 779 HH21 ARG 697 2HH ARG 697 1.357 -23.472 0.469 780 H ASP 698 H ASP 698 6.887 -14.674 0.321 781 HA ASP 698 HA ASP 698 8.739 -14.367 2.588 782 HB2 ASP 698 2HB ASP 698 9.397 -14.205 -0.366 783 HB3 ASP 698 1HB ASP 698 10.488 -13.715 0.918 784 H ALA 699 H ALA 699 8.212 -12.516 3.476 785 HA ALA 699 HA ALA 699 8.505 -10.024 2.265 786 HB1 ALA 699 1HB ALA 699 6.206 -9.217 2.119 787 HB2 ALA 699 2HB ALA 699 5.590 -10.811 2.564 788 HB3 ALA 699 3HB ALA 699 6.436 -10.581 1.031 789 H GLY 700 H GLY 700 6.088 -11.422 4.448 790 HA2 GLY 700 2HA GLY 700 6.370 -11.476 6.798 791 HA3 GLY 700 1HA GLY 700 7.365 -10.021 6.671 792 H VAL 701 H VAL 701 6.410 -8.239 7.216 793 HA VAL 701 HA VAL 701 3.613 -8.016 7.568 794 HB VAL 701 HB VAL 701 5.356 -6.647 8.739 795 HG13 VAL 701 1HG VAL 701 6.818 -6.051 6.945 796 HG21 VAL 701 2HG VAL 701 3.169 -5.081 7.391 797 H GLY 702 H GLY 702 5.814 -7.356 5.008 798 HA2 GLY 702 2HA GLY 702 5.046 -7.718 2.818 799 HA3 GLY 702 1HA GLY 702 3.531 -6.966 3.258 800 H PHE 703 H PHE 703 5.349 -6.457 1.200 801 HA PHE 703 HA PHE 703 5.906 -3.607 1.675 802 HB2 PHE 703 2HB PHE 703 7.523 -5.499 -0.062 803 HB3 PHE 703 1HB PHE 703 7.795 -3.768 0.083 804 HD1 PHE 703 1HD PHE 703 8.131 -7.021 1.733 805 HD2 PHE 703 2HD PHE 703 8.843 -2.840 2.059 806 HE1 PHE 703 1HE PHE 703 9.645 -7.433 3.619 807 HE2 PHE 703 2HE PHE 703 10.364 -3.248 3.950 808 HZ PHE 703 HZ PHE 703 10.766 -5.542 4.734 809 HA PRO 704 HA PRO 704 3.187 -3.280 -1.899 810 HB2 PRO 704 2HB PRO 704 3.012 -0.615 -1.980 811 HB3 PRO 704 1HB PRO 704 2.228 -1.552 -0.703 812 HG2 PRO 704 2HG PRO 704 4.791 -0.014 -0.614 813 HG3 PRO 704 1HG PRO 704 3.506 -0.119 0.601 814 HD2 PRO 704 2HD PRO 704 5.841 -1.578 0.726 815 HD3 PRO 704 1HD PRO 704 4.312 -2.065 1.464 816 H GLU 705 H GLU 705 3.487 -3.057 -4.018 817 HA GLU 705 HA GLU 705 5.855 -1.645 -5.036 818 HB2 GLU 705 2HB GLU 705 6.131 -4.089 -5.195 819 HB3 GLU 705 1HB GLU 705 4.588 -4.222 -6.016 820 HG2 GLU 705 2HG GLU 705 6.418 -4.426 -7.579 821 HG3 GLU 705 1HG GLU 705 5.487 -2.967 -7.907 822 H TYR 706 H TYR 706 5.396 -0.227 -6.641 823 HA TYR 706 HA TYR 706 2.598 0.232 -7.215 824 HB2 TYR 706 2HB TYR 706 3.878 2.204 -6.750 825 HB3 TYR 706 1HB TYR 706 5.063 1.844 -7.982 826 HD1 TYR 706 2HD TYR 706 1.339 2.259 -7.745 827 HD2 TYR 706 1HD TYR 706 4.910 3.075 -9.913 828 HE1 TYR 706 2HE TYR 706 0.062 3.575 -9.311 829 HE2 TYR 706 1HE TYR 706 3.638 4.418 -11.504 830 HH TYR 706 HH TYR 706 0.506 5.464 -10.930 831 H GLN 707 H GLN 707 1.564 -0.598 -8.834 832 HA GLN 707 HA GLN 707 3.100 -1.855 -10.916 833 HB2 GLN 707 2HB GLN 707 0.153 -1.904 -10.306 834 HB3 GLN 707 1HB GLN 707 0.848 -2.752 -11.677 835 HG2 GLN 707 2HG GLN 707 1.502 -3.197 -8.773 836 HG3 GLN 707 1HG GLN 707 0.562 -4.267 -9.819 837 HE21 GLN 707 2HE GLN 707 4.234 -5.189 -9.587 838 H GLU 708 H GLU 708 0.018 -0.214 -11.458 839 HA GLU 708 HA GLU 708 1.276 1.949 -12.764 840 HB2 GLU 708 2HB GLU 708 0.428 1.508 -15.029 841 HB3 GLU 708 1HB GLU 708 1.629 0.327 -14.542 842 HG2 GLU 708 2HG GLU 708 -0.136 -1.300 -14.122 843 HG3 GLU 708 1HG GLU 708 -1.358 -0.097 -14.536 844 H GLU 709 H GLU 709 -0.034 3.597 -12.681 845 HA GLU 709 HA GLU 709 -2.830 3.131 -12.147 846 HB2 GLU 709 2HB GLU 709 -1.545 4.994 -11.039 847 HB3 GLU 709 1HB GLU 709 -1.339 5.728 -12.614 848 HG2 GLU 709 2HG GLU 709 -4.039 5.239 -11.372 849 HG3 GLU 709 1HG GLU 709 -3.113 6.705 -11.103 850 H ASP 710 H ASP 710 -4.262 3.112 -13.637 851 HA ASP 710 HA ASP 710 -3.880 4.149 -16.320 852 HB2 ASP 710 2HB ASP 710 -2.602 2.037 -16.365 853 HB3 ASP 710 1HB ASP 710 -4.020 1.179 -15.797 854 H ASN 711 H ASN 711 -5.544 2.113 -14.098 855 HA ASN 711 HA ASN 711 -8.119 2.360 -15.348 856 HB2 ASN 711 2HB ASN 711 -8.790 0.930 -13.357 857 HB3 ASN 711 1HB ASN 711 -7.598 0.226 -14.444 858 HD21 ASN 711 2HD ASN 711 -6.650 0.872 -10.611 859 H SER 712 H SER 712 -6.653 4.778 -14.112 860 HA SER 712 HA SER 712 -7.257 6.722 -13.239 861 HB2 SER 712 2HB SER 712 -10.037 5.540 -12.939 862 HB3 SER 712 1HB SER 712 -9.632 7.254 -12.789 863 HG SER 712 HG SER 712 -8.856 5.861 -15.079 864 H THR 713 H THR 713 -6.943 4.066 -11.646 865 HA THR 713 HA THR 713 -7.005 5.301 -9.022 866 HB THR 713 HB THR 713 -7.886 2.486 -9.738 867 HG1 THR 713 1HG THR 713 -9.176 4.860 -9.623 868 HG21 THR 713 2HG THR 713 -7.964 3.978 -7.105 869 H TYR 714 H TYR 714 -5.138 4.815 -7.905 870 HA TYR 714 HA TYR 714 -3.006 3.589 -9.396 871 HB2 TYR 714 2HB TYR 714 -3.129 4.889 -6.669 872 HB3 TYR 714 1HB TYR 714 -1.666 4.167 -7.329 873 HD1 TYR 714 1HD TYR 714 -4.236 6.785 -8.061 874 HD2 TYR 714 2HD TYR 714 -0.246 5.436 -8.647 875 HE1 TYR 714 1HE TYR 714 -3.689 8.888 -9.224 876 HE2 TYR 714 2HE TYR 714 0.300 7.519 -9.807 877 HH TYR 714 HH TYR 714 -0.840 9.242 -11.039 878 H ASN 715 H ASN 715 -2.735 1.508 -9.384 879 HA ASN 715 HA ASN 715 -3.590 -0.042 -7.069 880 HB2 ASN 715 2HB ASN 715 -3.075 -0.655 -9.898 881 HB3 ASN 715 1HB ASN 715 -2.919 -1.981 -8.757 882 HD21 ASN 715 2HD ASN 715 -6.398 -2.329 -8.282 883 H PHE 716 H PHE 716 -2.308 -0.754 -5.727 884 HA PHE 716 HA PHE 716 0.521 -1.044 -6.407 885 HB2 PHE 716 2HB PHE 716 -0.738 -0.505 -3.704 886 HB3 PHE 716 1HB PHE 716 0.946 -0.890 -3.968 887 HD1 PHE 716 1HD PHE 716 -1.649 1.635 -4.723 888 HD2 PHE 716 2HD PHE 716 2.491 0.709 -4.592 889 HE1 PHE 716 1HE PHE 716 -1.111 4.000 -5.111 890 HE2 PHE 716 2HE PHE 716 3.034 3.066 -4.978 891 HZ PHE 716 HZ PHE 716 1.251 4.707 -5.243 892 H ARG 717 H ARG 717 1.462 -2.877 -5.906 893 HA ARG 717 HA ARG 717 -0.322 -5.082 -5.230 894 HB2 ARG 717 2HB ARG 717 0.812 -5.255 -7.378 895 HB3 ARG 717 1HB ARG 717 2.357 -4.962 -6.603 896 HG2 ARG 717 2HG ARG 717 2.206 -7.012 -5.413 897 HG3 ARG 717 1HG ARG 717 0.591 -7.305 -6.084 898 HD2 ARG 717 2HD ARG 717 3.122 -7.050 -7.679 899 HD3 ARG 717 1HD ARG 717 2.356 -8.573 -7.247 900 HE ARG 717 HE ARG 717 0.423 -7.154 -8.460 901 HH12 ARG 717 1HH ARG 717 3.340 -8.336 -11.026 902 HH21 ARG 717 2HH ARG 717 1.254 -7.783 -11.848 903 H TRP 718 H TRP 718 -0.154 -5.727 -3.216 904 HA TRP 718 HA TRP 718 2.256 -5.049 -1.696 905 HB2 TRP 718 2HB TRP 718 -0.091 -4.166 -1.027 906 HB3 TRP 718 1HB TRP 718 -0.465 -5.835 -0.665 907 HD1 TRP 718 HD TRP 718 1.433 -6.955 1.168 908 HE1 TRP 718 1HE TRP 718 2.209 -5.844 3.398 909 HE3 TRP 718 3HE TRP 718 0.221 -2.123 0.154 910 HZ2 TRP 718 2HZ TRP 718 2.302 -3.307 4.513 911 HZ3 TRP 718 3HZ TRP 718 0.664 -0.412 1.871 912 HH2 TRP 718 HH TRP 718 1.686 -0.999 3.990 913 H TYR 719 H TYR 719 3.553 -6.779 -1.515 914 HA TYR 719 HA TYR 719 2.368 -9.432 -1.599 915 HB2 TYR 719 2HB TYR 719 5.273 -8.589 -1.368 916 HB3 TYR 719 1HB TYR 719 4.713 -10.247 -1.512 917 HD1 TYR 719 2HD TYR 719 3.221 -10.699 -3.662 918 HD2 TYR 719 1HD TYR 719 5.990 -7.493 -3.265 919 HE1 TYR 719 2HE TYR 719 3.383 -10.527 -6.118 920 HE2 TYR 719 1HE TYR 719 6.154 -7.332 -5.721 921 HH TYR 719 HH TYR 719 5.804 -8.659 -7.663 922 H THR 720 H THR 720 1.625 -10.169 0.352 923 HA THR 720 HA THR 720 3.281 -9.613 2.662 924 HB THR 720 HB THR 720 1.557 -7.892 2.836 925 HG1 THR 720 1HG THR 720 1.759 -8.343 4.851 926 HG21 THR 720 2HG THR 720 -0.426 -10.170 2.742 927 H SER 721 H SER 721 3.346 -11.134 4.168 928 HA SER 721 HA SER 721 2.567 -13.734 3.445 929 HB2 SER 721 2HB SER 721 3.684 -12.611 6.012 930 HB3 SER 721 1HB SER 721 3.647 -14.324 5.575 931 HG SER 721 HG SER 721 4.796 -13.593 3.616 932 H TYR 722 H TYR 722 1.077 -11.135 5.263 933 HA TYR 722 HA TYR 722 -0.687 -12.742 6.754 934 HB2 TYR 722 2HB TYR 722 -0.768 -9.784 6.098 935 HB3 TYR 722 1HB TYR 722 -1.936 -10.618 7.076 936 HD1 TYR 722 1HD TYR 722 -1.507 -11.376 9.255 937 HD2 TYR 722 2HD TYR 722 1.613 -9.589 7.002 938 HE1 TYR 722 1HE TYR 722 -0.154 -11.223 11.290 939 HE2 TYR 722 2HE TYR 722 2.986 -9.421 9.049 940 HH TYR 722 HH TYR 722 2.689 -9.376 11.438 941 H ALA 723 H ALA 723 -0.639 -11.997 3.474 942 HA ALA 723 HA ALA 723 -3.524 -12.210 3.189 943 HB1 ALA 723 1HB ALA 723 -3.103 -12.014 0.777 944 HB2 ALA 723 2HB ALA 723 -1.367 -12.086 1.072 945 HB3 ALA 723 3HB ALA 723 -2.308 -10.717 1.670 946 H CYS 724 H CYS 724 -1.243 -14.283 3.940 947 HA CYS 724 HA CYS 724 -2.226 -16.447 2.250 948 HB2 CYS 724 2HB CYS 724 0.247 -16.270 3.966 949 HB3 CYS 724 1HB CYS 724 -0.215 -17.668 3.002 950 HA PRO 725 HA PRO 725 -4.032 -17.946 6.112 951 HB2 PRO 725 2HB PRO 725 -5.566 -19.870 4.754 952 HB3 PRO 725 1HB PRO 725 -6.104 -18.250 5.190 953 HG2 PRO 725 2HG PRO 725 -5.674 -19.246 2.578 954 HG3 PRO 725 1HG PRO 725 -5.973 -17.560 3.026 955 HD2 PRO 725 2HD PRO 725 -3.422 -18.944 2.394 956 HD3 PRO 725 1HD PRO 725 -3.908 -17.245 2.170 Start of MODEL 16 1 H1 GLU 578 1HT GLU 578 -20.435 3.396 -11.195 2 H2 GLU 578 2HT GLU 578 -21.766 2.870 -10.253 3 H3 GLU 578 3HT GLU 578 -20.652 1.757 -10.840 4 HA GLU 578 HA GLU 578 -18.939 2.612 -9.490 5 HB2 GLU 578 2HB GLU 578 -21.056 4.582 -8.573 6 HB3 GLU 578 1HB GLU 578 -19.571 4.280 -7.692 7 HG2 GLU 578 2HG GLU 578 -19.462 6.331 -9.033 8 HG3 GLU 578 1HG GLU 578 -18.265 5.145 -9.542 9 H ALA 579 H ALA 579 -18.756 0.862 -8.311 10 HA ALA 579 HA ALA 579 -21.068 -0.097 -6.846 11 HB1 ALA 579 1HB ALA 579 -18.322 -1.320 -7.212 12 HB2 ALA 579 2HB ALA 579 -19.764 -1.732 -8.137 13 HB3 ALA 579 3HB ALA 579 -19.692 -2.091 -6.413 14 H GLU 580 H GLU 580 -21.230 -0.005 -4.708 15 HA GLU 580 HA GLU 580 -19.518 1.846 -3.302 16 HB2 GLU 580 2HB GLU 580 -22.072 1.336 -2.957 17 HB3 GLU 580 1HB GLU 580 -21.516 -0.032 -2.017 18 HG2 GLU 580 2HG GLU 580 -20.939 2.873 -1.416 19 HG3 GLU 580 1HG GLU 580 -22.160 1.886 -0.636 20 H ALA 581 H ALA 581 -20.298 -1.557 -3.053 21 HA ALA 581 HA ALA 581 -17.556 -2.299 -2.751 22 HB1 ALA 581 1HB ALA 581 -18.025 -3.715 -0.743 23 HB2 ALA 581 2HB ALA 581 -19.608 -2.952 -0.610 24 HB3 ALA 581 3HB ALA 581 -18.152 -1.988 -0.394 25 H GLU 582 H GLU 582 -20.591 -3.849 -1.898 26 HA GLU 582 HA GLU 582 -21.921 -5.378 -2.844 27 HB2 GLU 582 2HB GLU 582 -20.968 -3.946 -5.306 28 HB3 GLU 582 1HB GLU 582 -22.367 -5.018 -5.255 29 HG2 GLU 582 2HG GLU 582 -23.503 -3.594 -3.721 30 HG3 GLU 582 1HG GLU 582 -22.065 -2.610 -3.486 31 H PHE 583 H PHE 583 -21.989 -6.859 -5.060 32 HA PHE 583 HA PHE 583 -21.341 -8.692 -6.102 33 HB2 PHE 583 2HB PHE 583 -18.512 -7.890 -5.364 34 HB3 PHE 583 1HB PHE 583 -18.909 -9.249 -6.401 35 HD1 PHE 583 1HD PHE 583 -19.890 -8.864 -8.627 36 HD2 PHE 583 2HD PHE 583 -18.608 -5.632 -6.169 37 HE1 PHE 583 1HE PHE 583 -19.920 -7.367 -10.579 38 HE2 PHE 583 2HE PHE 583 -18.637 -4.134 -8.114 39 HZ PHE 583 HZ PHE 583 -19.294 -5.000 -10.324 40 H LEU 584 H LEU 584 -21.146 -10.831 -5.719 41 HA LEU 584 HA LEU 584 -21.296 -11.542 -2.909 42 HB2 LEU 584 2HB LEU 584 -21.735 -13.207 -5.387 43 HB3 LEU 584 1HB LEU 584 -22.023 -13.747 -3.747 44 HG LEU 584 HG LEU 584 -23.520 -11.546 -5.173 45 HD13 LEU 584 1HD LEU 584 -24.366 -14.327 -4.379 46 HD21 LEU 584 2HD LEU 584 -23.366 -11.086 -2.779 47 H SER 585 H SER 585 -18.921 -11.369 -5.217 48 HA SER 585 HA SER 585 -17.344 -13.542 -4.117 49 HB2 SER 585 2HB SER 585 -15.770 -12.823 -5.933 50 HB3 SER 585 1HB SER 585 -17.361 -13.333 -6.508 51 HG SER 585 HG SER 585 -16.905 -11.444 -7.520 52 H ARG 586 H ARG 586 -18.046 -10.450 -3.304 53 HA ARG 586 HA ARG 586 -15.369 -9.867 -2.222 54 HB2 ARG 586 2HB ARG 586 -17.548 -7.970 -3.052 55 HB3 ARG 586 1HB ARG 586 -16.139 -7.503 -2.133 56 HG2 ARG 586 2HG ARG 586 -14.720 -8.099 -4.006 57 HG3 ARG 586 1HG ARG 586 -16.146 -8.587 -4.943 58 HD2 ARG 586 2HD ARG 586 -17.046 -6.346 -4.802 59 HD3 ARG 586 1HD ARG 586 -15.728 -5.853 -3.751 60 HE ARG 586 HE ARG 586 -14.664 -6.784 -6.175 61 HH12 ARG 586 1HH ARG 586 -16.013 -2.954 -6.063 62 HH21 ARG 586 2HH ARG 586 -14.249 -3.593 -7.580 63 H THR 587 H THR 587 -15.301 -8.945 -0.178 64 HA THR 587 HA THR 587 -17.797 -8.765 1.318 65 HB THR 587 HB THR 587 -16.338 -10.855 1.961 66 HG1 THR 587 1HG THR 587 -16.352 -9.851 4.331 67 HG21 THR 587 2HG THR 587 -14.212 -9.606 1.814 68 H GLU 588 H GLU 588 -17.841 -6.873 2.614 69 HA GLU 588 HA GLU 588 -15.520 -5.124 2.207 70 HB2 GLU 588 2HB GLU 588 -17.684 -4.342 1.230 71 HB3 GLU 588 1HB GLU 588 -18.362 -4.312 2.850 72 HG2 GLU 588 2HG GLU 588 -17.732 -2.079 2.232 73 HG3 GLU 588 1HG GLU 588 -16.652 -2.646 3.505 74 H GLY 589 H GLY 589 -14.386 -4.603 3.911 75 HA2 GLY 589 2HA GLY 589 -15.400 -5.258 6.566 76 HA3 GLY 589 1HA GLY 589 -13.719 -4.933 6.139 77 H ASP 590 H ASP 590 -14.301 -3.589 8.200 78 HA ASP 590 HA ASP 590 -15.011 -0.913 7.202 79 HB2 ASP 590 2HB ASP 590 -16.882 -1.685 8.522 80 HB3 ASP 590 1HB ASP 590 -15.818 -2.079 9.869 81 H ASN 591 H ASN 591 -13.325 -2.617 9.802 82 HA ASN 591 HA ASN 591 -11.584 -0.291 10.089 83 HB2 ASN 591 2HB ASN 591 -12.518 -1.376 12.162 84 HB3 ASN 591 1HB ASN 591 -11.696 -2.866 11.729 85 HD21 ASN 591 2HD ASN 591 -9.224 -1.787 13.944 86 H CYS 592 H CYS 592 -9.051 -1.242 10.537 87 HA CYS 592 HA CYS 592 -8.142 -2.081 8.062 88 HB2 CYS 592 2HB CYS 592 -6.464 -2.427 10.482 89 HB3 CYS 592 1HB CYS 592 -6.164 -1.650 8.923 90 H THR 593 H THR 593 -9.981 -4.124 9.627 91 HA THR 593 HA THR 593 -8.236 -6.428 9.222 92 HB THR 593 HB THR 593 -9.615 -7.615 10.954 93 HG1 THR 593 1HG THR 593 -11.339 -6.703 11.625 94 HG21 THR 593 2HG THR 593 -7.475 -6.607 11.617 95 H VAL 594 H VAL 594 -9.314 -8.165 8.093 96 HA VAL 594 HA VAL 594 -11.982 -7.440 7.178 97 HB VAL 594 HB VAL 594 -10.353 -6.891 5.399 98 HG13 VAL 594 1HG VAL 594 -8.623 -8.515 5.811 99 HG21 VAL 594 2HG VAL 594 -12.617 -7.477 4.762 100 H PHE 595 H PHE 595 -13.441 -9.002 7.175 101 HA PHE 595 HA PHE 595 -12.470 -11.727 7.389 102 HB2 PHE 595 2HB PHE 595 -13.327 -11.196 9.594 103 HB3 PHE 595 1HB PHE 595 -14.787 -10.488 8.906 104 HD1 PHE 595 2HD PHE 595 -12.933 -13.711 8.676 105 HD2 PHE 595 1HD PHE 595 -16.686 -11.771 9.103 106 HE1 PHE 595 2HE PHE 595 -14.017 -15.880 8.798 107 HE2 PHE 595 1HE PHE 595 -17.795 -13.967 9.237 108 HZ PHE 595 HZ PHE 595 -16.438 -16.029 9.089 109 H ASP 596 H ASP 596 -13.229 -13.053 5.987 110 HA ASP 596 HA ASP 596 -15.334 -12.019 4.226 111 HB2 ASP 596 2HB ASP 596 -12.981 -12.548 3.309 112 HB3 ASP 596 1HB ASP 596 -13.384 -14.206 3.648 113 H SER 597 H SER 597 -17.241 -12.986 4.418 114 HA SER 597 HA SER 597 -17.508 -15.263 6.045 115 HB2 SER 597 2HB SER 597 -19.953 -15.063 5.345 116 HB3 SER 597 1HB SER 597 -19.248 -13.714 6.235 117 HG SER 597 HG SER 597 -19.713 -12.517 4.638 118 H GLN 598 H GLN 598 -16.981 -14.949 2.591 119 HA GLN 598 HA GLN 598 -18.182 -17.467 1.966 120 HB2 GLN 598 2HB GLN 598 -17.383 -17.210 -0.118 121 HB3 GLN 598 1HB GLN 598 -17.839 -15.511 0.218 122 HG2 GLN 598 2HG GLN 598 -15.234 -15.407 0.724 123 HG3 GLN 598 1HG GLN 598 -15.186 -16.902 -0.188 124 HE21 GLN 598 2HE GLN 598 -15.413 -13.304 -1.981 125 H ALA 599 H ALA 599 -15.123 -16.079 2.826 126 HA ALA 599 HA ALA 599 -13.788 -18.467 2.117 127 HB1 ALA 599 1HB ALA 599 -11.716 -17.342 2.827 128 HB2 ALA 599 2HB ALA 599 -12.665 -16.092 3.577 129 HB3 ALA 599 3HB ALA 599 -12.698 -16.267 1.814 130 H GLY 600 H GLY 600 -15.112 -16.944 4.884 131 HA2 GLY 600 2HA GLY 600 -15.548 -17.721 7.016 132 HA3 GLY 600 1HA GLY 600 -14.935 -19.288 6.506 133 H PHE 601 H PHE 601 -12.856 -16.563 6.087 134 HA PHE 601 HA PHE 601 -11.421 -17.205 8.556 135 HB2 PHE 601 2HB PHE 601 -10.110 -16.926 5.834 136 HB3 PHE 601 1HB PHE 601 -9.248 -17.070 7.357 137 HD1 PHE 601 2HD PHE 601 -10.008 -19.233 8.768 138 HD2 PHE 601 1HD PHE 601 -10.312 -18.797 4.548 139 HE1 PHE 601 2HE PHE 601 -10.047 -21.682 8.520 140 HE2 PHE 601 1HE PHE 601 -10.353 -21.241 4.294 141 HZ PHE 601 HZ PHE 601 -10.218 -22.687 6.281 142 H SER 602 H SER 602 -10.330 -15.502 9.476 143 HA SER 602 HA SER 602 -10.957 -12.887 8.348 144 HB2 SER 602 2HB SER 602 -10.777 -12.103 10.716 145 HB3 SER 602 1HB SER 602 -12.051 -13.305 10.473 146 HG SER 602 HG SER 602 -9.875 -13.426 12.071 147 H PHE 603 H PHE 603 -9.355 -11.347 8.232 148 HA PHE 603 HA PHE 603 -6.655 -12.202 8.910 149 HB2 PHE 603 2HB PHE 603 -7.539 -11.032 6.254 150 HB3 PHE 603 1HB PHE 603 -5.862 -11.238 6.739 151 HD1 PHE 603 1HD PHE 603 -4.891 -13.479 6.913 152 HD2 PHE 603 2HD PHE 603 -8.895 -12.950 5.495 153 HE1 PHE 603 1HE PHE 603 -4.893 -15.763 6.009 154 HE2 PHE 603 2HE PHE 603 -8.876 -15.217 4.609 155 HZ PHE 603 HZ PHE 603 -6.879 -16.632 4.860 156 H ASP 604 H ASP 604 -5.732 -10.710 10.137 157 HA ASP 604 HA ASP 604 -6.877 -8.040 10.111 158 HB2 ASP 604 2HB ASP 604 -5.718 -7.632 12.261 159 HB3 ASP 604 1HB ASP 604 -6.762 -9.040 12.345 160 H LEU 605 H LEU 605 -5.959 -6.454 9.086 161 HA LEU 605 HA LEU 605 -3.169 -6.816 8.388 162 HB2 LEU 605 2HB LEU 605 -5.233 -5.065 7.052 163 HB3 LEU 605 1HB LEU 605 -3.566 -5.237 6.537 164 HG LEU 605 HG LEU 605 -5.740 -7.329 6.425 165 HD13 LEU 605 1HD LEU 605 -5.240 -7.335 4.061 166 HD21 LEU 605 2HD LEU 605 -2.809 -7.654 5.816 167 H THR 606 H THR 606 -4.493 -5.734 10.795 168 HA THR 606 HA THR 606 -3.958 -3.020 11.045 169 HB THR 606 HB THR 606 -3.934 -3.708 13.571 170 HG1 THR 606 1HG THR 606 -4.366 -5.746 13.948 171 HG21 THR 606 2HG THR 606 -5.767 -2.513 12.479 172 HA PRO 607 HA PRO 607 0.398 -4.378 12.963 173 HB2 PRO 607 2HB PRO 607 1.000 -6.614 11.096 174 HB3 PRO 607 1HB PRO 607 1.392 -6.460 12.811 175 HG2 PRO 607 2HG PRO 607 -0.511 -8.120 12.011 176 HG3 PRO 607 1HG PRO 607 -0.713 -7.159 13.485 177 HD2 PRO 607 2HD PRO 607 -1.873 -6.713 10.760 178 HD3 PRO 607 1HD PRO 607 -2.653 -6.542 12.343 179 H LEU 608 H LEU 608 -0.795 -4.522 9.769 180 HA LEU 608 HA LEU 608 1.617 -3.724 8.452 181 HB2 LEU 608 2HB LEU 608 -1.213 -4.057 7.542 182 HB3 LEU 608 1HB LEU 608 0.032 -3.422 6.462 183 HG LEU 608 HG LEU 608 1.203 -5.664 6.722 184 HD13 LEU 608 1HD LEU 608 -0.050 -7.533 7.596 185 HD21 LEU 608 2HD LEU 608 -1.618 -5.715 5.687 186 H THR 609 H THR 609 -0.875 -2.107 10.112 187 HA THR 609 HA THR 609 -0.616 0.414 8.729 188 HB THR 609 HB THR 609 -1.714 -0.144 11.515 189 HG1 THR 609 1HG THR 609 -3.127 -0.006 9.059 190 HG21 THR 609 2HG THR 609 -3.041 1.886 11.101 191 H LYS 610 H LYS 610 0.927 1.796 8.903 192 HA LYS 610 HA LYS 610 2.641 1.673 11.267 193 HB2 LYS 610 2HB LYS 610 3.466 2.010 8.396 194 HB3 LYS 610 1HB LYS 610 4.507 2.415 9.742 195 HG2 LYS 610 2HG LYS 610 4.380 0.049 10.487 196 HG3 LYS 610 1HG LYS 610 3.415 -0.309 9.057 197 HD2 LYS 610 2HD LYS 610 5.244 0.372 7.605 198 HD3 LYS 610 1HD LYS 610 6.208 0.844 9.001 199 HE2 LYS 610 2HE LYS 610 5.245 -1.962 8.431 200 HE3 LYS 610 1HE LYS 610 6.852 -1.360 8.048 201 HZ1 LYS 610 3HZ LYS 610 5.679 -1.548 10.772 202 HZ2 LYS 610 1HZ LYS 610 7.227 -0.992 10.410 203 HZ3 LYS 610 2HZ LYS 610 6.824 -2.596 10.121 204 H LYS 611 H LYS 611 3.396 3.567 12.069 205 HA LYS 611 HA LYS 611 1.835 5.943 11.680 206 HB2 LYS 611 2HB LYS 611 3.069 5.114 13.786 207 HB3 LYS 611 1HB LYS 611 4.505 5.659 13.011 208 HG2 LYS 611 2HG LYS 611 3.988 7.418 14.470 209 HG3 LYS 611 1HG LYS 611 3.509 7.982 12.881 210 HD2 LYS 611 2HD LYS 611 1.637 6.879 14.997 211 HD3 LYS 611 1HD LYS 611 1.895 8.585 14.685 212 HE2 LYS 611 2HE LYS 611 0.956 8.178 12.357 213 HE3 LYS 611 1HE LYS 611 0.598 6.533 12.893 214 HZ1 LYS 611 3HZ LYS 611 -1.353 7.941 13.140 215 HZ2 LYS 611 1HZ LYS 611 -0.489 8.990 14.118 216 HZ3 LYS 611 2HZ LYS 611 -0.795 7.437 14.649 217 H ASP 612 H ASP 612 4.924 4.821 10.861 218 HA ASP 612 HA ASP 612 5.926 7.181 9.535 219 HB2 ASP 612 2HB ASP 612 6.862 4.333 9.663 220 HB3 ASP 612 1HB ASP 612 7.769 5.595 8.818 221 H ALA 613 H ALA 613 4.083 4.446 8.742 222 HA ALA 613 HA ALA 613 3.033 3.657 6.923 223 HB1 ALA 613 1HB ALA 613 2.275 5.934 6.663 224 HB2 ALA 613 2HB ALA 613 2.552 5.198 5.086 225 HB3 ALA 613 3HB ALA 613 3.724 6.343 5.764 226 H TYR 614 H TYR 614 3.396 3.461 4.331 227 HA TYR 614 HA TYR 614 6.126 2.410 4.065 228 HB2 TYR 614 2HB TYR 614 3.537 1.671 2.695 229 HB3 TYR 614 1HB TYR 614 5.107 1.015 2.263 230 HD1 TYR 614 2HD TYR 614 2.798 1.322 5.232 231 HD2 TYR 614 1HD TYR 614 5.806 -0.980 3.244 232 HE1 TYR 614 2HE TYR 614 2.497 -0.451 6.819 233 HE2 TYR 614 1HE TYR 614 5.489 -2.771 4.852 234 HH TYR 614 HH TYR 614 2.839 -2.833 6.973 235 H LYS 615 H LYS 615 7.331 3.000 2.279 236 HA LYS 615 HA LYS 615 6.039 4.903 0.468 237 HB2 LYS 615 2HB LYS 615 7.604 6.082 1.874 238 HB3 LYS 615 1HB LYS 615 8.926 5.026 1.467 239 HG2 LYS 615 2HG LYS 615 8.502 5.736 -0.953 240 HG3 LYS 615 1HG LYS 615 7.465 6.993 -0.284 241 HD2 LYS 615 2HD LYS 615 10.387 6.564 0.335 242 HD3 LYS 615 1HD LYS 615 9.761 7.833 -0.736 243 HE2 LYS 615 2HE LYS 615 8.504 8.635 1.305 244 HE3 LYS 615 1HE LYS 615 9.470 7.486 2.229 245 HZ1 LYS 615 3HZ LYS 615 10.462 9.659 2.280 246 HZ2 LYS 615 1HZ LYS 615 10.471 9.722 0.591 247 HZ3 LYS 615 2HZ LYS 615 11.468 8.612 1.377 248 H VAL 616 H VAL 616 6.267 4.588 -1.604 249 HA VAL 616 HA VAL 616 8.054 2.468 -2.581 250 HB VAL 616 HB VAL 616 5.607 3.624 -3.937 251 HG13 VAL 616 1HG VAL 616 5.756 1.673 -5.404 252 HG21 VAL 616 2HG VAL 616 4.870 2.455 -1.933 253 H GLU 617 H GLU 617 9.448 3.137 -4.198 254 HA GLU 617 HA GLU 617 9.462 6.032 -4.731 255 HB2 GLU 617 2HB GLU 617 11.804 4.152 -4.395 256 HB3 GLU 617 1HB GLU 617 11.933 5.848 -4.832 257 HG2 GLU 617 2HG GLU 617 10.998 6.506 -2.694 258 HG3 GLU 617 1HG GLU 617 10.748 4.815 -2.259 259 H THR 618 H THR 618 9.806 6.721 -6.861 260 HA THR 618 HA THR 618 10.335 4.642 -8.826 261 HB THR 618 HB THR 618 8.777 5.828 -10.396 262 HG1 THR 618 1HG THR 618 8.269 7.396 -8.108 263 HG21 THR 618 2HG THR 618 7.375 5.096 -7.808 264 H ASP 619 H ASP 619 10.602 6.382 -10.999 265 HA ASP 619 HA ASP 619 13.188 7.361 -10.565 266 HB2 ASP 619 2HB ASP 619 11.250 7.805 -12.814 267 HB3 ASP 619 1HB ASP 619 12.814 8.610 -12.786 268 H LYS 620 H LYS 620 10.208 9.213 -10.920 269 HA LYS 620 HA LYS 620 11.650 11.307 -9.517 270 HB2 LYS 620 2HB LYS 620 10.274 12.981 -10.891 271 HB3 LYS 620 1HB LYS 620 11.676 12.232 -11.627 272 HG2 LYS 620 2HG LYS 620 10.207 10.659 -12.776 273 HG3 LYS 620 1HG LYS 620 8.811 11.397 -12.007 274 HD2 LYS 620 2HD LYS 620 9.320 13.513 -13.129 275 HD3 LYS 620 1HD LYS 620 10.718 12.757 -13.898 276 HE2 LYS 620 2HE LYS 620 9.245 11.139 -14.991 277 HE3 LYS 620 1HE LYS 620 7.852 11.878 -14.224 278 HZ1 LYS 620 3HZ LYS 620 9.656 13.246 -16.145 279 HZ2 LYS 620 1HZ LYS 620 8.255 13.899 -15.455 280 HZ3 LYS 620 2HZ LYS 620 8.152 12.585 -16.493 281 H TYR 621 H TYR 621 9.264 9.320 -9.035 282 HA TYR 621 HA TYR 621 7.930 11.267 -7.310 283 HB2 TYR 621 2HB TYR 621 6.553 9.124 -8.971 284 HB3 TYR 621 1HB TYR 621 5.770 10.007 -7.669 285 HD1 TYR 621 1HD TYR 621 7.658 10.612 -10.752 286 HD2 TYR 621 2HD TYR 621 4.534 11.901 -8.247 287 HE1 TYR 621 1HE TYR 621 7.131 12.373 -12.381 288 HE2 TYR 621 2HE TYR 621 3.949 13.678 -9.871 289 HH TYR 621 HH TYR 621 5.109 14.954 -11.667 290 H GLU 622 H GLU 622 6.908 10.260 -5.487 291 HA GLU 622 HA GLU 622 7.698 7.551 -4.956 292 HB2 GLU 622 2HB GLU 622 8.480 8.138 -2.699 293 HB3 GLU 622 1HB GLU 622 9.464 8.933 -3.921 294 HG2 GLU 622 2HG GLU 622 7.999 10.945 -3.590 295 HG3 GLU 622 1HG GLU 622 7.295 10.092 -2.266 296 H PHE 623 H PHE 623 6.244 6.568 -3.673 297 HA PHE 623 HA PHE 623 3.816 8.115 -3.329 298 HB2 PHE 623 2HB PHE 623 4.094 5.149 -3.930 299 HB3 PHE 623 1HB PHE 623 2.571 5.964 -3.634 300 HD1 PHE 623 1HD PHE 623 5.500 5.952 -5.940 301 HD2 PHE 623 2HD PHE 623 1.377 6.875 -5.427 302 HE1 PHE 623 1HE PHE 623 5.308 6.431 -8.340 303 HE2 PHE 623 2HE PHE 623 1.184 7.353 -7.825 304 HZ PHE 623 HZ PHE 623 3.157 7.128 -9.288 305 H HIS 624 H HIS 624 3.136 8.203 -1.227 306 HA HIS 624 HA HIS 624 4.311 6.219 0.596 307 HB2 HIS 624 2HB HIS 624 4.595 8.946 0.725 308 HB3 HIS 624 1HB HIS 624 3.189 8.674 1.740 309 HD1 HIS 624 1HD HIS 624 6.732 8.693 1.876 310 HD2 HIS 624 2HD HIS 624 3.736 6.627 3.802 311 HE1 HIS 624 1HE HIS 624 7.867 7.584 3.811 312 HE2 HIS 624 2HE HIS 624 5.943 6.690 5.194 313 H ILE 625 H ILE 625 2.875 4.888 1.535 314 HA ILE 625 HA ILE 625 0.077 5.719 1.652 315 HB ILE 625 HB ILE 625 -0.715 3.597 0.762 316 HG12 ILE 625 1HG ILE 625 2.203 2.930 0.463 317 HG23 ILE 625 2HG ILE 625 -0.081 3.797 -1.605 318 HD11 ILE 625 1HD ILE 625 1.493 0.755 -0.438 319 H ASN 626 H ASN 626 -1.076 4.537 3.149 320 HA ASN 626 HA ASN 626 0.502 2.825 4.968 321 HB2 ASN 626 2HB ASN 626 0.129 5.086 5.970 322 HB3 ASN 626 1HB ASN 626 -1.606 4.844 5.797 323 HD21 ASN 626 2HD ASN 626 -1.530 3.751 9.083 324 H VAL 627 H VAL 627 -0.735 1.132 5.954 325 HA VAL 627 HA VAL 627 -3.095 0.382 4.449 326 HB VAL 627 HB VAL 627 -1.700 -1.054 6.733 327 HG13 VAL 627 1HG VAL 627 -3.990 -1.946 4.981 328 HG21 VAL 627 2HG VAL 627 -1.098 -2.649 4.977 329 H CYS 628 H CYS 628 -4.823 1.374 4.914 330 HA CYS 628 HA CYS 628 -6.723 1.785 5.979 331 HB2 CYS 628 2HB CYS 628 -6.525 -0.221 7.248 332 HB3 CYS 628 1HB CYS 628 -5.288 0.470 8.275 333 H GLY 629 H GLY 629 -7.522 3.518 6.869 334 HA2 GLY 629 2HA GLY 629 -7.707 5.524 8.086 335 HA3 GLY 629 1HA GLY 629 -6.205 5.121 8.884 336 HA PRO 630 HA PRO 630 -4.934 8.342 6.099 337 HB2 PRO 630 2HB PRO 630 -3.875 9.789 8.234 338 HB3 PRO 630 1HB PRO 630 -5.431 10.058 7.438 339 HG2 PRO 630 2HG PRO 630 -5.050 9.102 10.130 340 HG3 PRO 630 1HG PRO 630 -6.581 9.146 9.226 341 HD2 PRO 630 2HD PRO 630 -4.618 6.983 9.683 342 HD3 PRO 630 1HD PRO 630 -6.396 6.933 9.558 343 H VAL 631 H VAL 631 -2.820 9.108 5.684 344 HA VAL 631 HA VAL 631 -0.691 7.424 6.732 345 HB VAL 631 HB VAL 631 -1.109 7.541 4.231 346 HG13 VAL 631 1HG VAL 631 -0.102 10.356 4.357 347 HG21 VAL 631 2HG VAL 631 1.580 8.338 5.259 348 H SER 632 H SER 632 0.914 8.442 7.884 349 HA SER 632 HA SER 632 0.463 11.295 8.211 350 HB2 SER 632 2HB SER 632 0.210 9.950 10.272 351 HB3 SER 632 1HB SER 632 1.876 9.407 10.117 352 HG SER 632 HG SER 632 0.860 11.682 11.127 353 H VAL 633 H VAL 633 1.579 11.800 6.324 354 HA VAL 633 HA VAL 633 4.517 11.595 6.633 355 HB VAL 633 HB VAL 633 3.069 12.121 4.030 356 HG13 VAL 633 1HG VAL 633 5.414 12.807 4.092 357 HG21 VAL 633 2HG VAL 633 2.355 10.005 4.808 358 H GLY 634 H GLY 634 5.678 13.497 6.538 359 HA2 GLY 634 2HA GLY 634 4.182 15.910 7.006 360 HA3 GLY 634 1HA GLY 634 5.929 15.730 7.042 361 H ALA 635 H ALA 635 4.115 14.698 4.292 362 HA ALA 635 HA ALA 635 4.702 17.167 2.830 363 HB1 ALA 635 1HB ALA 635 6.578 15.650 2.400 364 HB2 ALA 635 2HB ALA 635 5.614 15.906 0.942 365 HB3 ALA 635 3HB ALA 635 5.451 14.405 1.859 366 H CYS 636 H CYS 636 2.459 15.157 3.890 367 HA CYS 636 HA CYS 636 0.861 15.271 1.446 368 HB2 CYS 636 2HB CYS 636 0.962 13.072 3.512 369 HB3 CYS 636 1HB CYS 636 -0.085 13.112 2.099 370 HA PRO 637 HA PRO 637 -2.214 17.023 4.185 371 HB2 PRO 637 2HB PRO 637 -4.287 15.332 2.941 372 HB3 PRO 637 1HB PRO 637 -4.166 17.091 2.959 373 HG2 PRO 637 2HG PRO 637 -3.712 15.704 0.713 374 HG3 PRO 637 1HG PRO 637 -2.770 17.154 1.113 375 HD2 PRO 637 2HD PRO 637 -2.026 14.271 1.412 376 HD3 PRO 637 1HD PRO 637 -1.056 15.635 0.810 377 HA PRO 638 HA PRO 638 -2.512 13.909 7.421 378 HB2 PRO 638 2HB PRO 638 -4.653 15.592 8.577 379 HB3 PRO 638 1HB PRO 638 -3.099 15.125 9.275 380 HG2 PRO 638 2HG PRO 638 -3.532 17.628 8.444 381 HG3 PRO 638 1HG PRO 638 -1.958 16.842 8.224 382 HD2 PRO 638 2HD PRO 638 -4.144 17.286 6.225 383 HD3 PRO 638 1HD PRO 638 -2.384 17.469 6.049 384 H ASP 639 H ASP 639 -5.163 15.022 5.605 385 HA ASP 639 HA ASP 639 -7.103 13.082 6.526 386 HB2 ASP 639 2HB ASP 639 -8.516 14.052 4.730 387 HB3 ASP 639 1HB ASP 639 -7.961 15.220 5.929 388 H SER 640 H SER 640 -4.500 12.826 4.513 389 HA SER 640 HA SER 640 -5.899 11.149 2.579 390 HB2 SER 640 2HB SER 640 -3.034 12.097 2.617 391 HB3 SER 640 1HB SER 640 -3.861 11.293 1.280 392 HG SER 640 HG SER 640 -5.258 13.462 2.109 393 H GLY 641 H GLY 641 -5.342 8.991 2.307 394 HA2 GLY 641 2HA GLY 641 -3.717 7.781 4.458 395 HA3 GLY 641 1HA GLY 641 -4.969 6.941 3.553 396 H ALA 642 H ALA 642 -3.872 8.389 1.116 397 HA ALA 642 HA ALA 642 -1.300 7.086 0.701 398 HB1 ALA 642 1HB ALA 642 -2.882 5.430 -0.085 399 HB2 ALA 642 2HB ALA 642 -2.098 6.176 -1.466 400 HB3 ALA 642 3HB ALA 642 -3.752 6.638 -1.040 401 H CYS 643 H CYS 643 0.016 8.458 -0.243 402 HA CYS 643 HA CYS 643 -1.116 10.627 -1.828 403 HB2 CYS 643 2HB CYS 643 0.289 12.231 -0.606 404 HB3 CYS 643 1HB CYS 643 -0.941 11.493 0.417 405 H GLN 644 H GLN 644 0.121 11.114 -3.553 406 HA GLN 644 HA GLN 644 2.809 9.949 -3.584 407 HB2 GLN 644 2HB GLN 644 2.812 10.421 -5.917 408 HB3 GLN 644 1HB GLN 644 1.669 9.121 -5.520 409 HG2 GLN 644 2HG GLN 644 -0.154 10.764 -5.762 410 HG3 GLN 644 1HG GLN 644 1.014 12.021 -6.107 411 HE21 GLN 644 2HE GLN 644 1.439 11.103 -9.469 412 H VAL 645 H VAL 645 4.530 11.190 -4.044 413 HA VAL 645 HA VAL 645 4.020 13.995 -4.512 414 HB VAL 645 HB VAL 645 4.381 13.851 -2.087 415 HG13 VAL 645 1HG VAL 645 6.982 12.510 -2.686 416 HG21 VAL 645 2HG VAL 645 5.302 15.825 -3.197 417 H SER 646 H SER 646 5.284 14.912 -5.893 418 HA SER 646 HA SER 646 7.054 13.343 -7.480 419 HB2 SER 646 2HB SER 646 5.756 15.196 -8.459 420 HB3 SER 646 1HB SER 646 6.576 16.340 -7.400 421 HG SER 646 HG SER 646 7.299 15.856 -9.727 422 H ARG 647 H ARG 647 9.001 12.799 -6.756 423 HA ARG 647 HA ARG 647 10.186 14.184 -4.556 424 HB2 ARG 647 2HB ARG 647 11.928 12.528 -4.658 425 HB3 ARG 647 1HB ARG 647 10.417 11.702 -4.980 426 HG2 ARG 647 2HG ARG 647 11.024 11.976 -7.446 427 HG3 ARG 647 1HG ARG 647 12.637 12.379 -6.872 428 HD2 ARG 647 2HD ARG 647 11.118 9.805 -6.473 429 HD3 ARG 647 1HD ARG 647 12.602 10.064 -7.378 430 HE ARG 647 HE ARG 647 12.962 10.770 -4.673 431 HH12 ARG 647 1HH ARG 647 13.525 6.885 -5.621 432 HH21 ARG 647 2HH ARG 647 14.138 7.733 -3.470 433 H SER 648 H SER 648 10.133 14.449 -7.912 434 HA SER 648 HA SER 648 12.615 15.826 -8.220 435 HB2 SER 648 2HB SER 648 11.471 14.367 -10.017 436 HB3 SER 648 1HB SER 648 10.299 15.643 -10.127 437 HG SER 648 HG SER 648 13.038 16.183 -10.445 438 H ASP 649 H ASP 649 9.115 16.755 -8.301 439 HA ASP 649 HA ASP 649 9.959 19.574 -8.397 440 HB2 ASP 649 2HB ASP 649 8.561 18.816 -10.278 441 HB3 ASP 649 1HB ASP 649 7.272 18.419 -9.148 442 H ARG 650 H ARG 650 8.659 17.416 -6.242 443 HA ARG 650 HA ARG 650 7.884 17.553 -4.142 444 HB2 ARG 650 2HB ARG 650 8.771 20.416 -4.362 445 HB3 ARG 650 1HB ARG 650 7.958 19.821 -2.925 446 HG2 ARG 650 2HG ARG 650 10.341 19.809 -2.579 447 HG3 ARG 650 1HG ARG 650 9.709 18.166 -2.630 448 HD2 ARG 650 2HD ARG 650 10.510 17.948 -4.951 449 HD3 ARG 650 1HD ARG 650 11.151 19.592 -4.866 450 HE ARG 650 HE ARG 650 12.072 17.915 -2.773 451 HH12 ARG 650 1HH ARG 650 14.328 18.402 -6.106 452 HH21 ARG 650 2HH ARG 650 15.322 17.635 -4.084 453 H LYS 651 H LYS 651 6.070 18.089 -6.424 454 HA LYS 651 HA LYS 651 3.882 19.270 -4.912 455 HB2 LYS 651 2HB LYS 651 3.870 17.989 -7.624 456 HB3 LYS 651 1HB LYS 651 2.475 18.682 -6.821 457 HG2 LYS 651 2HG LYS 651 3.993 20.730 -6.661 458 HG3 LYS 651 1HG LYS 651 4.856 19.941 -7.967 459 HD2 LYS 651 2HD LYS 651 2.828 19.641 -9.259 460 HD3 LYS 651 1HD LYS 651 1.895 20.432 -7.994 461 HE2 LYS 651 2HE LYS 651 2.210 21.946 -9.619 462 HE3 LYS 651 1HE LYS 651 3.295 22.408 -8.312 463 HZ1 LYS 651 3HZ LYS 651 4.468 22.608 -10.436 464 HZ2 LYS 651 1HZ LYS 651 4.088 21.022 -10.818 465 HZ3 LYS 651 2HZ LYS 651 5.159 21.338 -9.545 466 H SER 652 H SER 652 2.239 18.044 -3.943 467 HA SER 652 HA SER 652 2.388 15.199 -4.463 468 HB2 SER 652 2HB SER 652 1.773 14.730 -2.131 469 HB3 SER 652 1HB SER 652 3.346 15.472 -2.314 470 HG SER 652 HG SER 652 2.281 16.462 -0.642 471 H TRP 653 H TRP 653 0.514 14.021 -4.288 472 HA TRP 653 HA TRP 653 -1.923 15.618 -4.589 473 HB2 TRP 653 2HB TRP 653 -1.023 13.301 -6.319 474 HB3 TRP 653 1HB TRP 653 -2.589 14.081 -6.449 475 HD1 TRP 653 HD TRP 653 -2.638 16.521 -7.637 476 HE1 TRP 653 1HE TRP 653 -0.908 17.752 -9.154 477 HE3 TRP 653 3HE TRP 653 1.508 13.671 -6.725 478 HZ2 TRP 653 2HZ TRP 653 1.775 17.524 -9.849 479 HZ3 TRP 653 3HZ TRP 653 3.591 14.228 -7.843 480 HH2 TRP 653 HH TRP 653 3.735 16.126 -9.385 481 H ASN 654 H ASN 654 -3.872 14.362 -4.201 482 HA ASN 654 HA ASN 654 -3.492 12.489 -1.977 483 HB2 ASN 654 2HB ASN 654 -5.109 14.586 -1.944 484 HB3 ASN 654 1HB ASN 654 -6.024 13.655 -3.064 485 HD21 ASN 654 2HD ASN 654 -7.226 13.232 0.430 486 H LEU 655 H LEU 655 -3.791 10.339 -2.324 487 HA LEU 655 HA LEU 655 -5.060 9.508 -4.845 488 HB2 LEU 655 2HB LEU 655 -3.092 8.037 -3.109 489 HB3 LEU 655 1HB LEU 655 -3.733 7.480 -4.638 490 HG LEU 655 HG LEU 655 -1.875 9.806 -4.199 491 HD13 LEU 655 1HD LEU 655 -0.328 8.475 -5.513 492 HD21 LEU 655 2HD LEU 655 -3.425 10.330 -5.996 493 H GLY 656 H GLY 656 -5.991 10.012 -1.906 494 HA2 GLY 656 2HA GLY 656 -8.238 8.671 -1.778 495 HA3 GLY 656 1HA GLY 656 -7.108 7.414 -1.297 496 H ARG 657 H ARG 657 -9.198 9.492 -0.071 497 HA ARG 657 HA ARG 657 -7.744 10.746 1.997 498 HB2 ARG 657 2HB ARG 657 -10.670 10.013 2.122 499 HB3 ARG 657 1HB ARG 657 -9.822 11.342 2.893 500 HG2 ARG 657 2HG ARG 657 -9.471 12.365 0.676 501 HG3 ARG 657 1HG ARG 657 -10.435 11.073 -0.035 502 HD2 ARG 657 2HD ARG 657 -12.289 11.735 1.535 503 HD3 ARG 657 1HD ARG 657 -11.340 13.167 1.933 504 HE ARG 657 HE ARG 657 -12.202 12.538 -0.807 505 HH12 ARG 657 1HH ARG 657 -12.723 16.140 0.938 506 HH21 ARG 657 2HH ARG 657 -13.427 15.745 -1.298 507 H SER 658 H SER 658 -8.251 10.213 4.323 508 HA SER 658 HA SER 658 -7.344 7.701 5.069 509 HB2 SER 658 2HB SER 658 -8.222 8.351 7.310 510 HB3 SER 658 1HB SER 658 -7.208 9.583 6.538 511 HG SER 658 HG SER 658 -10.006 9.517 6.317 512 H ASN 659 H ASN 659 -8.305 5.756 5.082 513 HA ASN 659 HA ASN 659 -11.074 5.423 5.655 514 HB2 ASN 659 2HB ASN 659 -11.301 6.129 3.364 515 HB3 ASN 659 1HB ASN 659 -10.017 5.043 2.851 516 HD21 ASN 659 2HD ASN 659 -12.123 2.409 2.261 517 H ALA 660 H ALA 660 -11.615 3.085 5.859 518 HA ALA 660 HA ALA 660 -9.167 1.471 6.139 519 HB1 ALA 660 1HB ALA 660 -9.865 0.684 8.250 520 HB2 ALA 660 2HB ALA 660 -11.402 1.565 8.162 521 HB3 ALA 660 3HB ALA 660 -9.858 2.429 8.297 522 H LYS 661 H LYS 661 -11.627 1.595 4.301 523 HA LYS 661 HA LYS 661 -13.075 -0.803 4.859 524 HB2 LYS 661 2HB LYS 661 -12.933 0.672 2.211 525 HB3 LYS 661 1HB LYS 661 -14.146 -0.485 2.716 526 HG2 LYS 661 2HG LYS 661 -13.721 2.225 3.901 527 HG3 LYS 661 1HG LYS 661 -15.001 1.748 2.793 528 HD2 LYS 661 2HD LYS 661 -15.701 0.045 4.537 529 HD3 LYS 661 1HD LYS 661 -14.506 0.847 5.588 530 HE2 LYS 661 2HE LYS 661 -15.645 2.945 5.387 531 HE3 LYS 661 1HE LYS 661 -16.756 2.233 4.219 532 HZ1 LYS 661 3HZ LYS 661 -17.699 0.863 5.935 533 HZ2 LYS 661 1HZ LYS 661 -17.750 2.452 6.434 534 HZ3 LYS 661 2HZ LYS 661 -16.620 1.398 7.098 535 H LEU 662 H LEU 662 -11.826 -2.590 4.928 536 HA LEU 662 HA LEU 662 -10.098 -3.237 2.668 537 HB2 LEU 662 2HB LEU 662 -10.630 -4.645 5.258 538 HB3 LEU 662 1HB LEU 662 -9.722 -5.379 3.956 539 HG LEU 662 HG LEU 662 -8.918 -2.888 5.465 540 HD13 LEU 662 1HD LEU 662 -8.867 -4.963 6.768 541 HD21 LEU 662 2HD LEU 662 -7.423 -4.580 3.479 542 H SER 663 H SER 663 -10.641 -4.593 1.147 543 HA SER 663 HA SER 663 -13.196 -5.980 1.463 544 HB2 SER 663 2HB SER 663 -11.892 -4.970 -1.068 545 HB3 SER 663 1HB SER 663 -13.434 -5.814 -0.964 546 HG SER 663 HG SER 663 -13.804 -3.849 0.656 547 H TYR 664 H TYR 664 -13.216 -8.101 0.900 548 HA TYR 664 HA TYR 664 -10.630 -9.207 0.054 549 HB2 TYR 664 2HB TYR 664 -11.690 -10.031 2.351 550 HB3 TYR 664 1HB TYR 664 -12.874 -10.792 1.346 551 HD1 TYR 664 2HD TYR 664 -11.389 -12.000 -0.842 552 HD2 TYR 664 1HD TYR 664 -10.352 -11.718 3.285 553 HE1 TYR 664 2HE TYR 664 -10.005 -13.990 -1.072 554 HE2 TYR 664 1HE TYR 664 -8.938 -13.730 3.045 555 HH TYR 664 HH TYR 664 -8.808 -15.750 1.517 556 H TYR 665 H TYR 665 -10.670 -9.796 -1.972 557 HA TYR 665 HA TYR 665 -13.225 -10.333 -3.329 558 HB2 TYR 665 2HB TYR 665 -11.848 -8.443 -4.193 559 HB3 TYR 665 1HB TYR 665 -10.486 -9.544 -4.362 560 HD1 TYR 665 1HD TYR 665 -14.078 -9.529 -5.296 561 HD2 TYR 665 2HD TYR 665 -10.081 -10.204 -6.529 562 HE1 TYR 665 1HE TYR 665 -14.888 -10.089 -7.472 563 HE2 TYR 665 2HE TYR 665 -10.867 -10.787 -8.783 564 HH TYR 665 HH TYR 665 -12.904 -11.592 -9.840 565 H ASP 666 H ASP 666 -13.427 -12.352 -4.192 566 HA ASP 666 HA ASP 666 -11.873 -14.391 -3.121 567 HB2 ASP 666 2HB ASP 666 -14.083 -14.803 -4.102 568 HB3 ASP 666 1HB ASP 666 -13.437 -14.465 -5.708 569 H GLY 667 H GLY 667 -9.882 -14.940 -3.415 570 HA2 GLY 667 2HA GLY 667 -8.157 -15.611 -4.997 571 HA3 GLY 667 1HA GLY 667 -8.573 -14.170 -5.920 572 H MET 668 H MET 668 -8.678 -12.118 -4.114 573 HA MET 668 HA MET 668 -6.204 -12.163 -2.553 574 HB2 MET 668 2HB MET 668 -6.565 -10.027 -4.672 575 HB3 MET 668 1HB MET 668 -5.232 -10.221 -3.557 576 HG2 MET 668 2HG MET 668 -4.425 -10.893 -5.669 577 HG3 MET 668 1HG MET 668 -4.709 -12.389 -4.786 578 HE1 MET 668 3HE MET 668 -4.265 -12.292 -7.930 579 HE2 MET 668 1HE MET 668 -5.535 -13.373 -8.500 580 HE3 MET 668 2HE MET 668 -4.607 -13.791 -7.061 581 H ILE 669 H ILE 669 -6.035 -10.396 -1.134 582 HA ILE 669 HA ILE 669 -8.558 -9.135 -0.468 583 HB ILE 669 HB ILE 669 -5.824 -8.888 0.873 584 HG12 ILE 669 1HG ILE 669 -8.229 -10.537 1.679 585 HG23 ILE 669 2HG ILE 669 -7.225 -6.954 1.345 586 HD11 ILE 669 1HD ILE 669 -5.493 -10.434 2.924 587 H GLN 670 H GLN 670 -8.974 -6.920 -0.735 588 HA GLN 670 HA GLN 670 -6.880 -5.320 -1.986 589 HB2 GLN 670 2HB GLN 670 -9.671 -5.757 -3.061 590 HB3 GLN 670 1HB GLN 670 -8.697 -4.371 -3.523 591 HG2 GLN 670 2HG GLN 670 -7.081 -5.744 -4.600 592 HG3 GLN 670 1HG GLN 670 -7.784 -7.236 -3.939 593 HE21 GLN 670 2HE GLN 670 -10.181 -5.351 -6.661 594 H LEU 671 H LEU 671 -6.925 -3.193 -1.483 595 HA LEU 671 HA LEU 671 -8.977 -2.339 0.482 596 HB2 LEU 671 2HB LEU 671 -6.571 -2.661 1.325 597 HB3 LEU 671 1HB LEU 671 -6.116 -1.332 0.289 598 HG LEU 671 HG LEU 671 -7.923 -1.188 2.732 599 HD13 LEU 671 1HD LEU 671 -5.147 -0.155 2.299 600 HD21 LEU 671 2HD LEU 671 -8.616 0.485 1.078 601 H THR 672 H THR 672 -10.173 -0.693 -0.242 602 HA THR 672 HA THR 672 -9.209 0.848 -2.547 603 HB THR 672 HB THR 672 -12.036 0.571 -1.524 604 HG1 THR 672 1HG THR 672 -11.480 -1.418 -2.101 605 HG21 THR 672 2HG THR 672 -11.623 2.486 -2.990 606 H TYR 673 H TYR 673 -8.762 2.932 -2.103 607 HA TYR 673 HA TYR 673 -9.780 4.071 0.374 608 HB2 TYR 673 2HB TYR 673 -7.538 4.747 -1.394 609 HB3 TYR 673 1HB TYR 673 -8.208 6.062 -0.400 610 HD1 TYR 673 1HD TYR 673 -8.335 5.606 2.061 611 HD2 TYR 673 2HD TYR 673 -5.927 3.273 -0.529 612 HE1 TYR 673 1HE TYR 673 -7.061 4.838 3.984 613 HE2 TYR 673 2HE TYR 673 -4.617 2.484 1.415 614 HH TYR 673 HH TYR 673 -4.138 3.263 3.823 615 H ARG 674 H ARG 674 -9.949 6.675 -0.033 616 HA ARG 674 HA ARG 674 -12.454 6.801 -1.467 617 HB2 ARG 674 2HB ARG 674 -11.059 8.833 0.242 618 HB3 ARG 674 1HB ARG 674 -12.649 9.041 -0.476 619 HG2 ARG 674 2HG ARG 674 -11.855 6.946 1.506 620 HG3 ARG 674 1HG ARG 674 -12.782 8.407 1.873 621 HD2 ARG 674 2HD ARG 674 -14.521 7.604 0.249 622 HD3 ARG 674 1HD ARG 674 -13.612 6.100 0.102 623 HE ARG 674 HE ARG 674 -13.982 6.348 2.757 624 HH12 ARG 674 1HH ARG 674 -17.509 5.756 0.915 625 HH21 ARG 674 2HH ARG 674 -17.306 5.363 3.158 626 H ASP 675 H ASP 675 -12.892 9.038 -2.401 627 HA ASP 675 HA ASP 675 -11.867 9.265 -4.921 628 HB2 ASP 675 2HB ASP 675 -13.051 11.407 -5.012 629 HB3 ASP 675 1HB ASP 675 -14.010 10.231 -4.129 630 H GLY 676 H GLY 676 -10.944 10.974 -2.055 631 HA2 GLY 676 2HA GLY 676 -9.039 12.210 -1.477 632 HA3 GLY 676 1HA GLY 676 -8.241 11.392 -2.813 633 H THR 677 H THR 677 -7.632 12.587 -4.438 634 HA THR 677 HA THR 677 -8.979 15.105 -4.911 635 HB THR 677 HB THR 677 -6.013 14.545 -4.837 636 HG1 THR 677 1HG THR 677 -7.595 15.356 -3.016 637 HG21 THR 677 2HG THR 677 -6.471 15.926 -6.841 638 HA PRO 678 HA PRO 678 -9.117 13.161 -8.983 639 HB2 PRO 678 2HB PRO 678 -10.155 15.073 -10.453 640 HB3 PRO 678 1HB PRO 678 -11.097 14.315 -9.194 641 HG2 PRO 678 2HG PRO 678 -9.587 16.903 -8.947 642 HG3 PRO 678 1HG PRO 678 -11.287 16.575 -8.545 643 HD2 PRO 678 2HD PRO 678 -9.387 16.516 -6.637 644 HD3 PRO 678 1HD PRO 678 -10.744 15.362 -6.645 645 H TYR 679 H TYR 679 -8.088 13.264 -10.937 646 HA TYR 679 HA TYR 679 -5.408 13.940 -10.903 647 HB2 TYR 679 2HB TYR 679 -7.143 13.624 -13.355 648 HB3 TYR 679 1HB TYR 679 -5.384 13.666 -13.371 649 HD1 TYR 679 2HD TYR 679 -4.107 11.844 -12.339 650 HD2 TYR 679 1HD TYR 679 -8.327 11.699 -12.665 651 HE1 TYR 679 2HE TYR 679 -4.059 9.430 -11.886 652 HE2 TYR 679 1HE TYR 679 -8.291 9.294 -12.213 653 HH TYR 679 HH TYR 679 -5.521 7.742 -11.047 654 H ASN 680 H ASN 680 -7.608 15.595 -13.105 655 HA ASN 680 HA ASN 680 -7.366 18.245 -12.493 656 HB2 ASN 680 2HB ASN 680 -5.547 19.101 -13.999 657 HB3 ASN 680 1HB ASN 680 -4.901 18.130 -12.685 658 HD21 ASN 680 2HD ASN 680 -3.508 15.705 -14.762 659 H ASN 681 H ASN 681 -9.053 16.223 -13.878 660 HA ASN 681 HA ASN 681 -8.905 17.170 -16.609 661 HB2 ASN 681 2HB ASN 681 -9.996 15.059 -17.234 662 HB3 ASN 681 1HB ASN 681 -8.493 14.772 -16.391 663 HD21 ASN 681 2HD ASN 681 -11.301 12.533 -15.207 664 H GLU 682 H GLU 682 -10.947 17.341 -17.694 665 HA GLU 682 HA GLU 682 -12.704 19.083 -16.372 666 HB2 GLU 682 2HB GLU 682 -13.011 17.572 -18.956 667 HB3 GLU 682 1HB GLU 682 -13.987 18.951 -18.457 668 HG2 GLU 682 2HG GLU 682 -12.149 20.417 -18.562 669 HG3 GLU 682 1HG GLU 682 -11.004 19.091 -18.720 670 H LYS 683 H LYS 683 -12.741 15.654 -16.774 671 HA LYS 683 HA LYS 683 -15.513 15.319 -16.115 672 HB2 LYS 683 2HB LYS 683 -14.277 13.688 -17.473 673 HB3 LYS 683 1HB LYS 683 -13.258 13.323 -16.090 674 HG2 LYS 683 2HG LYS 683 -15.198 12.514 -14.864 675 HG3 LYS 683 1HG LYS 683 -16.230 12.890 -16.245 676 HD2 LYS 683 2HD LYS 683 -14.988 11.373 -17.600 677 HD3 LYS 683 1HD LYS 683 -13.928 10.964 -16.240 678 HE2 LYS 683 2HE LYS 683 -15.930 10.170 -14.992 679 HE3 LYS 683 1HE LYS 683 -16.911 10.499 -16.412 680 HZ1 LYS 683 3HZ LYS 683 -15.566 8.839 -17.629 681 HZ2 LYS 683 1HZ LYS 683 -16.331 8.163 -16.292 682 HZ3 LYS 683 2HZ LYS 683 -14.716 8.517 -16.212 683 H ARG 684 H ARG 684 -12.567 15.851 -14.285 684 HA ARG 684 HA ARG 684 -12.013 15.711 -12.179 685 HB2 ARG 684 2HB ARG 684 -14.993 15.980 -11.665 686 HB3 ARG 684 1HB ARG 684 -13.819 15.901 -10.375 687 HG2 ARG 684 2HG ARG 684 -14.442 18.182 -10.698 688 HG3 ARG 684 1HG ARG 684 -12.793 17.986 -11.263 689 HD2 ARG 684 2HD ARG 684 -13.584 17.950 -13.572 690 HD3 ARG 684 1HD ARG 684 -15.252 18.081 -13.014 691 HE ARG 684 HE ARG 684 -13.697 20.169 -11.949 692 HH12 ARG 684 1HH ARG 684 -15.376 20.819 -15.579 693 HH21 ARG 684 2HH ARG 684 -14.628 22.617 -14.298 694 H THR 685 H THR 685 -11.338 13.659 -12.867 695 HA THR 685 HA THR 685 -12.818 11.440 -11.781 696 HB THR 685 HB THR 685 -10.263 11.588 -13.380 697 HG1 THR 685 1HG THR 685 -12.608 10.377 -14.292 698 HG21 THR 685 2HG THR 685 -10.279 9.711 -11.901 699 HA PRO 686 HA PRO 686 -10.407 12.011 -8.031 700 HB2 PRO 686 2HB PRO 686 -11.381 9.809 -6.782 701 HB3 PRO 686 1HB PRO 686 -12.229 11.352 -6.814 702 HG2 PRO 686 2HG PRO 686 -12.659 8.897 -8.463 703 HG3 PRO 686 1HG PRO 686 -13.860 10.005 -7.781 704 HD2 PRO 686 2HD PRO 686 -13.136 10.047 -10.367 705 HD3 PRO 686 1HD PRO 686 -13.613 11.519 -9.494 706 H ARG 687 H ARG 687 -8.484 11.219 -7.374 707 HA ARG 687 HA ARG 687 -7.381 8.896 -8.733 708 HB2 ARG 687 2HB ARG 687 -6.200 10.732 -6.646 709 HB3 ARG 687 1HB ARG 687 -5.301 9.529 -7.535 710 HG2 ARG 687 2HG ARG 687 -5.727 10.819 -9.610 711 HG3 ARG 687 1HG ARG 687 -6.567 12.035 -8.638 712 HD2 ARG 687 2HD ARG 687 -4.493 12.281 -7.286 713 HD3 ARG 687 1HD ARG 687 -3.676 11.214 -8.423 714 HE ARG 687 HE ARG 687 -4.879 13.785 -9.182 715 HH12 ARG 687 1HH ARG 687 -1.250 12.408 -10.412 716 HH21 ARG 687 2HH ARG 687 -1.939 14.639 -10.966 717 H ALA 688 H ALA 688 -7.612 6.895 -7.759 718 HA ALA 688 HA ALA 688 -7.949 6.966 -4.843 719 HB1 ALA 688 1HB ALA 688 -9.470 5.248 -6.805 720 HB2 ALA 688 2HB ALA 688 -10.125 6.605 -5.891 721 HB3 ALA 688 3HB ALA 688 -9.585 5.150 -5.047 722 H THR 689 H THR 689 -7.333 5.001 -3.831 723 HA THR 689 HA THR 689 -5.234 3.633 -5.346 724 HB THR 689 HB THR 689 -5.415 4.190 -2.376 725 HG1 THR 689 1HG THR 689 -4.901 5.988 -3.666 726 HG21 THR 689 2HG THR 689 -4.246 2.069 -2.842 727 H LEU 690 H LEU 690 -5.302 1.513 -5.515 728 HA LEU 690 HA LEU 690 -7.115 -0.025 -3.817 729 HB2 LEU 690 2HB LEU 690 -7.919 0.339 -6.204 730 HB3 LEU 690 1HB LEU 690 -6.494 -0.504 -6.753 731 HG LEU 690 HG LEU 690 -8.467 -1.922 -6.893 732 HD13 LEU 690 1HD LEU 690 -6.397 -3.068 -6.430 733 HD21 LEU 690 2HD LEU 690 -9.812 -0.901 -5.176 734 H ILE 691 H ILE 691 -5.827 -1.230 -2.625 735 HA ILE 691 HA ILE 691 -3.186 -1.992 -3.684 736 HB ILE 691 HB ILE 691 -4.204 -2.181 -0.823 737 HG12 ILE 691 1HG ILE 691 -2.382 -0.103 -2.073 738 HG23 ILE 691 2HG ILE 691 -1.834 -2.481 -0.257 739 HD11 ILE 691 1HD ILE 691 -2.521 1.081 0.043 740 H THR 692 H THR 692 -2.843 -4.113 -4.265 741 HA THR 692 HA THR 692 -4.964 -5.992 -3.601 742 HB THR 692 HB THR 692 -2.880 -6.095 -5.727 743 HG1 THR 692 1HG THR 692 -5.110 -4.617 -5.469 744 HG21 THR 692 2HG THR 692 -3.905 -8.262 -5.194 745 H PHE 693 H PHE 693 -4.400 -7.398 -2.139 746 HA PHE 693 HA PHE 693 -1.634 -7.642 -1.308 747 HB2 PHE 693 2HB PHE 693 -4.218 -8.526 -0.170 748 HB3 PHE 693 1HB PHE 693 -2.665 -8.765 0.639 749 HD1 PHE 693 1HD PHE 693 -4.975 -6.120 -0.609 750 HD2 PHE 693 2HD PHE 693 -1.749 -7.036 2.002 751 HE1 PHE 693 1HE PHE 693 -5.203 -3.930 0.444 752 HE2 PHE 693 2HE PHE 693 -1.966 -4.843 3.041 753 HZ PHE 693 HZ PHE 693 -3.692 -3.287 2.266 754 H LEU 694 H LEU 694 -0.499 -9.347 -1.708 755 HA LEU 694 HA LEU 694 -1.798 -11.823 -2.642 756 HB2 LEU 694 2HB LEU 694 0.991 -10.897 -3.296 757 HB3 LEU 694 1HB LEU 694 0.122 -12.235 -4.005 758 HG LEU 694 HG LEU 694 -0.387 -9.322 -4.406 759 HD13 LEU 694 1HD LEU 694 1.533 -10.122 -5.615 760 HD21 LEU 694 2HD LEU 694 -2.509 -10.454 -4.426 761 H CYS 695 H CYS 695 -0.290 -13.655 -2.204 762 HA CYS 695 HA CYS 695 0.584 -13.520 0.555 763 HB2 CYS 695 2HB CYS 695 -0.650 -15.507 -0.289 764 HB3 CYS 695 1HB CYS 695 0.675 -15.831 -1.407 765 H ASP 696 H ASP 696 2.729 -13.477 1.202 766 HA ASP 696 HA ASP 696 4.559 -12.829 -0.956 767 HB2 ASP 696 2HB ASP 696 6.057 -11.892 0.595 768 HB3 ASP 696 1HB ASP 696 4.471 -11.440 1.192 769 H ARG 697 H ARG 697 6.302 -13.827 -1.436 770 HA ARG 697 HA ARG 697 6.821 -16.450 -0.263 771 HB2 ARG 697 2HB ARG 697 8.007 -15.196 -2.756 772 HB3 ARG 697 1HB ARG 697 8.173 -16.873 -2.237 773 HG2 ARG 697 2HG ARG 697 5.757 -17.169 -2.488 774 HG3 ARG 697 1HG ARG 697 5.637 -15.518 -3.076 775 HD2 ARG 697 2HD ARG 697 7.129 -16.105 -4.940 776 HD3 ARG 697 1HD ARG 697 7.160 -17.773 -4.368 777 HE ARG 697 HE ARG 697 4.674 -16.409 -5.090 778 HH12 ARG 697 1HH ARG 697 5.730 -20.108 -6.380 779 HH21 ARG 697 2HH ARG 697 3.577 -19.140 -6.956 780 H ASP 698 H ASP 698 7.941 -13.234 -0.731 781 HA ASP 698 HA ASP 698 9.782 -13.565 1.439 782 HB2 ASP 698 2HB ASP 698 11.662 -12.433 0.253 783 HB3 ASP 698 1HB ASP 698 11.283 -13.990 -0.456 784 H ALA 699 H ALA 699 8.915 -12.146 2.764 785 HA ALA 699 HA ALA 699 9.244 -9.413 2.537 786 HB1 ALA 699 1HB ALA 699 6.986 -8.517 2.297 787 HB2 ALA 699 2HB ALA 699 6.336 -10.140 2.080 788 HB3 ALA 699 3HB ALA 699 7.411 -9.450 0.862 789 H GLY 700 H GLY 700 6.298 -11.008 3.786 790 HA2 GLY 700 2HA GLY 700 6.226 -11.782 6.085 791 HA3 GLY 700 1HA GLY 700 7.304 -10.446 6.494 792 H VAL 701 H VAL 701 6.487 -8.409 6.785 793 HA VAL 701 HA VAL 701 3.658 -8.241 7.191 794 HB VAL 701 HB VAL 701 5.318 -7.024 8.625 795 HG13 VAL 701 1HG VAL 701 6.900 -6.213 7.076 796 HG21 VAL 701 2HG VAL 701 3.231 -5.277 7.351 797 H GLY 702 H GLY 702 5.962 -7.127 4.862 798 HA2 GLY 702 2HA GLY 702 5.073 -7.460 2.592 799 HA3 GLY 702 1HA GLY 702 3.704 -6.510 3.102 800 H PHE 703 H PHE 703 5.759 -6.309 1.073 801 HA PHE 703 HA PHE 703 6.477 -3.493 1.508 802 HB2 PHE 703 2HB PHE 703 7.871 -5.523 -0.270 803 HB3 PHE 703 1HB PHE 703 8.275 -3.818 -0.190 804 HD1 PHE 703 2HD PHE 703 9.323 -2.909 1.861 805 HD2 PHE 703 1HD PHE 703 8.673 -7.077 1.326 806 HE1 PHE 703 2HE PHE 703 10.953 -3.386 3.636 807 HE2 PHE 703 1HE PHE 703 10.304 -7.563 3.100 808 HZ PHE 703 HZ PHE 703 11.447 -5.713 4.257 809 HA PRO 704 HA PRO 704 3.393 -3.287 -1.818 810 HB2 PRO 704 2HB PRO 704 3.183 -0.582 -1.852 811 HB3 PRO 704 1HB PRO 704 2.373 -1.589 -0.645 812 HG2 PRO 704 2HG PRO 704 4.920 -0.037 -0.417 813 HG3 PRO 704 1HG PRO 704 3.601 -0.195 0.754 814 HD2 PRO 704 2HD PRO 704 5.902 -1.601 0.961 815 HD3 PRO 704 1HD PRO 704 4.343 -2.240 1.502 816 H GLU 705 H GLU 705 3.562 -2.989 -3.948 817 HA GLU 705 HA GLU 705 5.943 -1.617 -5.068 818 HB2 GLU 705 2HB GLU 705 5.791 -4.200 -5.412 819 HB3 GLU 705 1HB GLU 705 4.316 -3.863 -6.263 820 HG2 GLU 705 2HG GLU 705 6.040 -4.240 -7.824 821 HG3 GLU 705 1HG GLU 705 5.536 -2.555 -7.920 822 H TYR 706 H TYR 706 5.383 -0.007 -6.598 823 HA TYR 706 HA TYR 706 2.556 0.360 -7.035 824 HB2 TYR 706 2HB TYR 706 3.755 2.392 -6.542 825 HB3 TYR 706 1HB TYR 706 4.914 2.108 -7.829 826 HD1 TYR 706 2HD TYR 706 1.182 2.342 -7.437 827 HD2 TYR 706 1HD TYR 706 4.614 3.333 -9.765 828 HE1 TYR 706 2HE TYR 706 -0.223 3.580 -8.966 829 HE2 TYR 706 1HE TYR 706 3.207 4.595 -11.296 830 HH TYR 706 HH TYR 706 0.100 5.501 -10.590 831 H GLN 707 H GLN 707 1.595 -0.643 -8.615 832 HA GLN 707 HA GLN 707 3.144 -1.884 -10.665 833 HB2 GLN 707 2HB GLN 707 0.127 -1.559 -10.626 834 HB3 GLN 707 1HB GLN 707 1.055 -2.734 -11.545 835 HG2 GLN 707 2HG GLN 707 0.634 -2.647 -8.567 836 HG3 GLN 707 1HG GLN 707 0.035 -3.850 -9.703 837 HE21 GLN 707 2HE GLN 707 3.032 -5.645 -9.688 838 H GLU 708 H GLU 708 0.284 0.122 -11.213 839 HA GLU 708 HA GLU 708 1.391 2.412 -12.127 840 HB2 GLU 708 2HB GLU 708 1.259 2.257 -14.583 841 HB3 GLU 708 1HB GLU 708 2.495 1.205 -13.929 842 HG2 GLU 708 2HG GLU 708 0.932 -0.693 -14.173 843 HG3 GLU 708 1HG GLU 708 -0.217 0.404 -14.938 844 H GLU 709 H GLU 709 -0.101 3.838 -12.570 845 HA GLU 709 HA GLU 709 -2.858 3.039 -12.344 846 HB2 GLU 709 2HB GLU 709 -1.948 5.011 -11.131 847 HB3 GLU 709 1HB GLU 709 -1.576 5.766 -12.660 848 HG2 GLU 709 2HG GLU 709 -4.375 5.102 -11.752 849 HG3 GLU 709 1HG GLU 709 -3.591 6.642 -11.454 850 H ASP 710 H ASP 710 -4.123 2.755 -13.942 851 HA ASP 710 HA ASP 710 -3.880 4.130 -16.494 852 HB2 ASP 710 2HB ASP 710 -2.521 2.106 -16.906 853 HB3 ASP 710 1HB ASP 710 -3.841 1.102 -16.315 854 H ASN 711 H ASN 711 -5.432 1.936 -14.370 855 HA ASN 711 HA ASN 711 -8.020 2.137 -15.598 856 HB2 ASN 711 2HB ASN 711 -8.633 0.593 -13.693 857 HB3 ASN 711 1HB ASN 711 -7.395 -0.012 -14.789 858 HD21 ASN 711 2HD ASN 711 -6.529 0.568 -10.905 859 H SER 712 H SER 712 -6.551 4.527 -14.085 860 HA SER 712 HA SER 712 -7.215 6.359 -13.082 861 HB2 SER 712 2HB SER 712 -10.016 5.223 -13.284 862 HB3 SER 712 1HB SER 712 -9.640 6.890 -12.824 863 HG SER 712 HG SER 712 -8.294 6.210 -15.023 864 H THR 713 H THR 713 -7.142 3.600 -11.662 865 HA THR 713 HA THR 713 -7.318 4.736 -9.009 866 HB THR 713 HB THR 713 -7.980 1.878 -9.819 867 HG1 THR 713 1HG THR 713 -9.887 2.609 -10.174 868 HG21 THR 713 2HG THR 713 -8.797 1.674 -7.514 869 H TYR 714 H TYR 714 -5.454 4.331 -7.893 870 HA TYR 714 HA TYR 714 -3.229 3.309 -9.405 871 HB2 TYR 714 2HB TYR 714 -3.428 4.556 -6.654 872 HB3 TYR 714 1HB TYR 714 -1.919 4.072 -7.415 873 HD1 TYR 714 1HD TYR 714 -4.882 6.292 -7.948 874 HD2 TYR 714 2HD TYR 714 -0.762 5.602 -8.738 875 HE1 TYR 714 1HE TYR 714 -4.725 8.481 -9.044 876 HE2 TYR 714 2HE TYR 714 -0.603 7.789 -9.826 877 HH TYR 714 HH TYR 714 -2.136 9.391 -10.949 878 H ASN 715 H ASN 715 -2.755 1.269 -9.347 879 HA ASN 715 HA ASN 715 -3.591 -0.333 -7.070 880 HB2 ASN 715 2HB ASN 715 -2.965 -0.906 -9.876 881 HB3 ASN 715 1HB ASN 715 -2.782 -2.224 -8.717 882 HD21 ASN 715 2HD ASN 715 -6.241 -2.750 -8.313 883 H PHE 716 H PHE 716 -2.304 -1.023 -5.699 884 HA PHE 716 HA PHE 716 0.561 -1.182 -6.294 885 HB2 PHE 716 2HB PHE 716 -0.804 -0.716 -3.625 886 HB3 PHE 716 1HB PHE 716 0.899 -1.037 -3.824 887 HD1 PHE 716 1HD PHE 716 -1.758 1.410 -4.651 888 HD2 PHE 716 2HD PHE 716 2.410 0.661 -4.324 889 HE1 PHE 716 1HE PHE 716 -1.305 3.816 -4.925 890 HE2 PHE 716 2HE PHE 716 2.870 3.056 -4.595 891 HZ PHE 716 HZ PHE 716 1.025 4.635 -4.900 892 H ARG 717 H ARG 717 1.590 -3.002 -5.698 893 HA ARG 717 HA ARG 717 -0.135 -5.293 -5.090 894 HB2 ARG 717 2HB ARG 717 1.141 -5.537 -7.139 895 HB3 ARG 717 1HB ARG 717 2.618 -5.098 -6.305 896 HG2 ARG 717 2HG ARG 717 2.554 -7.081 -5.010 897 HG3 ARG 717 1HG ARG 717 0.999 -7.557 -5.715 898 HD2 ARG 717 2HD ARG 717 3.581 -7.175 -7.215 899 HD3 ARG 717 1HD ARG 717 2.949 -8.729 -6.696 900 HE ARG 717 HE ARG 717 1.136 -7.210 -8.246 901 HH12 ARG 717 1HH ARG 717 3.472 -10.098 -9.952 902 HH21 ARG 717 2HH ARG 717 1.630 -9.203 -11.150 903 H TRP 718 H TRP 718 0.022 -6.186 -3.150 904 HA TRP 718 HA TRP 718 2.327 -5.404 -1.498 905 HB2 TRP 718 2HB TRP 718 0.043 -4.388 -0.949 906 HB3 TRP 718 1HB TRP 718 -0.460 -6.015 -0.528 907 HD1 TRP 718 HD TRP 718 1.411 -7.158 1.388 908 HE1 TRP 718 1HE TRP 718 2.173 -5.999 3.584 909 HE3 TRP 718 3HE TRP 718 0.307 -2.343 0.188 910 HZ2 TRP 718 2HZ TRP 718 2.290 -3.428 4.616 911 HZ3 TRP 718 3HZ TRP 718 0.753 -0.588 1.865 912 HH2 TRP 718 HH TRP 718 1.730 -1.127 4.007 913 H TYR 719 H TYR 719 3.548 -7.202 -1.212 914 HA TYR 719 HA TYR 719 2.292 -9.840 -1.152 915 HB2 TYR 719 2HB TYR 719 5.207 -9.005 -0.980 916 HB3 TYR 719 1HB TYR 719 4.651 -10.663 -0.938 917 HD1 TYR 719 1HD TYR 719 5.210 -7.719 -3.050 918 HD2 TYR 719 2HD TYR 719 3.906 -11.769 -2.970 919 HE1 TYR 719 1HE TYR 719 5.407 -7.842 -5.510 920 HE2 TYR 719 2HE TYR 719 4.114 -11.886 -5.425 921 HH TYR 719 HH TYR 719 5.757 -9.536 -7.208 922 H THR 720 H THR 720 1.431 -10.393 0.816 923 HA THR 720 HA THR 720 3.096 -9.894 3.139 924 HB THR 720 HB THR 720 1.582 -7.979 3.164 925 HG1 THR 720 1HG THR 720 1.757 -8.329 5.168 926 HG21 THR 720 2HG THR 720 -0.278 -8.918 1.863 927 H SER 721 H SER 721 2.988 -11.348 4.702 928 HA SER 721 HA SER 721 2.007 -13.923 4.242 929 HB2 SER 721 2HB SER 721 3.932 -13.315 5.702 930 HB3 SER 721 1HB SER 721 2.808 -12.587 6.832 931 HG SER 721 HG SER 721 2.583 -15.281 6.037 932 H TYR 722 H TYR 722 0.599 -11.059 5.618 933 HA TYR 722 HA TYR 722 -1.428 -12.368 7.083 934 HB2 TYR 722 2HB TYR 722 -1.155 -9.467 6.242 935 HB3 TYR 722 1HB TYR 722 -2.351 -10.111 7.333 936 HD1 TYR 722 2HD TYR 722 1.306 -9.596 6.983 937 HD2 TYR 722 1HD TYR 722 -1.891 -10.634 9.586 938 HE1 TYR 722 2HE TYR 722 2.829 -9.444 8.908 939 HE2 TYR 722 1HE TYR 722 -0.384 -10.482 11.504 940 HH TYR 722 HH TYR 722 2.698 -9.080 11.306 941 H ALA 723 H ALA 723 -0.963 -11.873 3.820 942 HA ALA 723 HA ALA 723 -3.833 -12.112 3.282 943 HB1 ALA 723 1HB ALA 723 -3.263 -11.546 0.960 944 HB2 ALA 723 2HB ALA 723 -1.558 -11.460 1.402 945 HB3 ALA 723 3HB ALA 723 -2.700 -10.302 2.079 946 H CYS 724 H CYS 724 -1.716 -14.121 4.222 947 HA CYS 724 HA CYS 724 -1.984 -16.032 2.016 948 HB2 CYS 724 2HB CYS 724 -0.197 -16.133 4.459 949 HB3 CYS 724 1HB CYS 724 -0.229 -17.328 3.174 950 HA PRO 725 HA PRO 725 -4.769 -18.117 4.911 951 HB2 PRO 725 2HB PRO 725 -5.796 -19.773 2.886 952 HB3 PRO 725 1HB PRO 725 -6.481 -18.232 3.404 953 HG2 PRO 725 2HG PRO 725 -5.317 -18.799 0.897 954 HG3 PRO 725 1HG PRO 725 -5.772 -17.204 1.517 955 HD2 PRO 725 2HD PRO 725 -3.099 -18.509 1.421 956 HD3 PRO 725 1HD PRO 725 -3.555 -16.790 1.332 Start of MODEL 17 1 H1 GLU 578 1HT GLU 578 -20.688 -2.523 -15.486 2 H2 GLU 578 2HT GLU 578 -20.485 -0.965 -14.919 3 H3 GLU 578 3HT GLU 578 -22.055 -1.604 -15.167 4 HA GLU 578 HA GLU 578 -20.137 -2.596 -13.162 5 HB2 GLU 578 2HB GLU 578 -22.790 -1.169 -12.838 6 HB3 GLU 578 1HB GLU 578 -21.720 -1.695 -11.550 7 HG2 GLU 578 2HG GLU 578 -20.072 -0.065 -12.235 8 HG3 GLU 578 1HG GLU 578 -21.087 0.419 -13.593 9 H ALA 579 H ALA 579 -20.884 -4.402 -12.070 10 HA ALA 579 HA ALA 579 -21.977 -6.311 -11.619 11 HB1 ALA 579 1HB ALA 579 -24.392 -6.503 -11.895 12 HB2 ALA 579 2HB ALA 579 -24.388 -5.108 -12.973 13 HB3 ALA 579 3HB ALA 579 -23.964 -4.910 -11.273 14 H GLU 580 H GLU 580 -22.783 -5.351 -14.918 15 HA GLU 580 HA GLU 580 -23.344 -7.810 -16.043 16 HB2 GLU 580 2HB GLU 580 -22.002 -5.446 -17.357 17 HB3 GLU 580 1HB GLU 580 -22.746 -6.786 -18.213 18 HG2 GLU 580 2HG GLU 580 -24.908 -6.211 -17.258 19 HG3 GLU 580 1HG GLU 580 -24.163 -4.891 -16.359 20 H ALA 581 H ALA 581 -20.187 -6.315 -15.645 21 HA ALA 581 HA ALA 581 -18.954 -8.771 -16.680 22 HB1 ALA 581 1HB ALA 581 -16.951 -7.447 -17.040 23 HB2 ALA 581 2HB ALA 581 -17.734 -6.038 -16.326 24 HB3 ALA 581 3HB ALA 581 -18.334 -6.707 -17.846 25 H GLU 582 H GLU 582 -20.007 -7.887 -13.871 26 HA GLU 582 HA GLU 582 -17.523 -8.498 -12.460 27 HB2 GLU 582 2HB GLU 582 -19.887 -6.943 -11.430 28 HB3 GLU 582 1HB GLU 582 -18.431 -7.320 -10.516 29 HG2 GLU 582 2HG GLU 582 -17.106 -6.039 -12.114 30 HG3 GLU 582 1HG GLU 582 -18.576 -5.648 -13.004 31 H PHE 583 H PHE 583 -17.821 -10.672 -12.663 32 HA PHE 583 HA PHE 583 -20.047 -11.772 -11.122 33 HB2 PHE 583 2HB PHE 583 -20.105 -12.498 -13.466 34 HB3 PHE 583 1HB PHE 583 -18.453 -13.077 -13.353 35 HD1 PHE 583 1HD PHE 583 -21.911 -13.644 -12.204 36 HD2 PHE 583 2HD PHE 583 -17.982 -15.249 -12.497 37 HE1 PHE 583 1HE PHE 583 -22.767 -15.851 -11.537 38 HE2 PHE 583 2HE PHE 583 -18.828 -17.456 -11.835 39 HZ PHE 583 HZ PHE 583 -21.227 -17.761 -11.351 40 H LEU 584 H LEU 584 -19.173 -11.667 -9.171 41 HA LEU 584 HA LEU 584 -17.659 -13.750 -8.230 42 HB2 LEU 584 2HB LEU 584 -15.631 -12.521 -7.424 43 HB3 LEU 584 1HB LEU 584 -15.668 -12.771 -9.148 44 HG LEU 584 HG LEU 584 -16.343 -10.346 -9.405 45 HD13 LEU 584 1HD LEU 584 -15.642 -10.148 -6.486 46 HD21 LEU 584 2HD LEU 584 -13.724 -10.923 -8.047 47 H SER 585 H SER 585 -17.120 -13.306 -5.853 48 HA SER 585 HA SER 585 -18.933 -11.280 -4.850 49 HB2 SER 585 2HB SER 585 -18.563 -14.069 -3.727 50 HB3 SER 585 1HB SER 585 -19.545 -12.799 -3.001 51 HG SER 585 HG SER 585 -20.027 -14.394 -5.196 52 H ARG 586 H ARG 586 -17.951 -9.895 -3.633 53 HA ARG 586 HA ARG 586 -15.474 -10.668 -2.347 54 HB2 ARG 586 2HB ARG 586 -14.586 -8.371 -2.712 55 HB3 ARG 586 1HB ARG 586 -14.819 -9.259 -4.193 56 HG2 ARG 586 2HG ARG 586 -15.442 -6.982 -4.589 57 HG3 ARG 586 1HG ARG 586 -16.921 -7.926 -4.565 58 HD2 ARG 586 2HD ARG 586 -17.409 -7.155 -2.313 59 HD3 ARG 586 1HD ARG 586 -15.864 -6.307 -2.241 60 HE ARG 586 HE ARG 586 -16.862 -5.088 -4.291 61 HH12 ARG 586 1HH ARG 586 -19.780 -4.770 -1.497 62 HH21 ARG 586 2HH ARG 586 -19.633 -3.199 -3.250 63 H THR 587 H THR 587 -15.006 -9.470 -0.408 64 HA THR 587 HA THR 587 -17.513 -8.488 0.752 65 HB THR 587 HB THR 587 -16.569 -10.627 1.810 66 HG1 THR 587 1HG THR 587 -16.775 -9.602 4.033 67 HG21 THR 587 2HG THR 587 -14.543 -8.663 2.861 68 H GLU 588 H GLU 588 -17.487 -6.590 1.792 69 HA GLU 588 HA GLU 588 -14.964 -5.137 1.729 70 HB2 GLU 588 2HB GLU 588 -16.857 -4.163 0.458 71 HB3 GLU 588 1HB GLU 588 -17.797 -4.110 1.941 72 HG2 GLU 588 2HG GLU 588 -16.168 -2.557 2.904 73 HG3 GLU 588 1HG GLU 588 -15.250 -2.616 1.401 74 H GLY 589 H GLY 589 -14.040 -4.791 3.603 75 HA2 GLY 589 2HA GLY 589 -15.380 -5.709 6.010 76 HA3 GLY 589 1HA GLY 589 -13.676 -5.316 5.843 77 H ASP 590 H ASP 590 -13.657 -4.114 7.695 78 HA ASP 590 HA ASP 590 -14.918 -1.498 7.456 79 HB2 ASP 590 2HB ASP 590 -16.193 -2.965 9.093 80 HB3 ASP 590 1HB ASP 590 -14.720 -3.111 10.042 81 H ASN 591 H ASN 591 -13.547 -0.787 10.113 82 HA ASN 591 HA ASN 591 -11.291 0.170 8.754 83 HB2 ASN 591 2HB ASN 591 -10.694 1.408 10.760 84 HB3 ASN 591 1HB ASN 591 -12.408 1.562 10.442 85 HD21 ASN 591 2HD ASN 591 -11.645 0.957 14.069 86 H CYS 592 H CYS 592 -9.619 -0.930 8.197 87 HA CYS 592 HA CYS 592 -7.613 -1.886 8.358 88 HB2 CYS 592 2HB CYS 592 -8.194 -1.731 11.264 89 HB3 CYS 592 1HB CYS 592 -6.654 -2.405 10.683 90 H THR 593 H THR 593 -10.444 -3.468 9.167 91 HA THR 593 HA THR 593 -9.064 -6.046 9.056 92 HB THR 593 HB THR 593 -10.807 -6.932 10.637 93 HG1 THR 593 1HG THR 593 -11.213 -4.347 11.602 94 HG21 THR 593 2HG THR 593 -9.733 -6.073 12.684 95 H VAL 594 H VAL 594 -10.150 -7.649 7.921 96 HA VAL 594 HA VAL 594 -12.715 -6.902 6.742 97 HB VAL 594 HB VAL 594 -10.901 -6.551 5.083 98 HG13 VAL 594 1HG VAL 594 -10.385 -9.494 5.315 99 HG21 VAL 594 2HG VAL 594 -12.763 -8.814 4.392 100 H PHE 595 H PHE 595 -14.256 -8.506 6.700 101 HA PHE 595 HA PHE 595 -13.290 -11.198 7.169 102 HB2 PHE 595 2HB PHE 595 -14.238 -10.507 9.307 103 HB3 PHE 595 1HB PHE 595 -15.720 -9.982 8.511 104 HD1 PHE 595 2HD PHE 595 -13.621 -13.064 8.424 105 HD2 PHE 595 1HD PHE 595 -17.500 -11.400 8.904 106 HE1 PHE 595 2HE PHE 595 -14.533 -15.313 8.619 107 HE2 PHE 595 1HE PHE 595 -18.436 -13.672 9.112 108 HZ PHE 595 HZ PHE 595 -16.944 -15.632 8.977 109 H ASP 596 H ASP 596 -13.978 -12.646 5.859 110 HA ASP 596 HA ASP 596 -16.145 -11.972 3.957 111 HB2 ASP 596 2HB ASP 596 -13.750 -12.233 3.089 112 HB3 ASP 596 1HB ASP 596 -13.849 -13.880 3.635 113 H SER 597 H SER 597 -17.897 -13.038 4.395 114 HA SER 597 HA SER 597 -18.001 -15.137 6.265 115 HB2 SER 597 2HB SER 597 -19.883 -13.588 5.899 116 HB3 SER 597 1HB SER 597 -20.102 -14.230 4.272 117 HG SER 597 HG SER 597 -20.402 -15.608 6.730 118 H GLN 598 H GLN 598 -17.942 -15.062 2.753 119 HA GLN 598 HA GLN 598 -18.492 -17.806 2.423 120 HB2 GLN 598 2HB GLN 598 -17.232 -17.235 0.125 121 HB3 GLN 598 1HB GLN 598 -18.920 -16.816 0.417 122 HG2 GLN 598 2HG GLN 598 -18.389 -14.595 0.838 123 HG3 GLN 598 1HG GLN 598 -16.687 -14.949 1.078 124 HE21 GLN 598 2HE GLN 598 -16.267 -13.515 -2.042 125 H ALA 599 H ALA 599 -15.384 -16.032 2.594 126 HA ALA 599 HA ALA 599 -13.842 -18.434 2.249 127 HB1 ALA 599 1HB ALA 599 -11.927 -17.031 2.760 128 HB2 ALA 599 2HB ALA 599 -12.988 -15.833 3.464 129 HB3 ALA 599 3HB ALA 599 -13.039 -16.110 1.721 130 H GLY 600 H GLY 600 -15.303 -16.784 4.893 131 HA2 GLY 600 2HA GLY 600 -15.617 -17.463 7.079 132 HA3 GLY 600 1HA GLY 600 -14.866 -18.994 6.651 133 H PHE 601 H PHE 601 -13.132 -16.064 6.040 134 HA PHE 601 HA PHE 601 -11.508 -16.541 8.436 135 HB2 PHE 601 2HB PHE 601 -10.467 -15.957 5.664 136 HB3 PHE 601 1HB PHE 601 -9.483 -15.926 7.112 137 HD1 PHE 601 2HD PHE 601 -9.682 -18.236 8.509 138 HD2 PHE 601 1HD PHE 601 -10.329 -17.779 4.332 139 HE1 PHE 601 2HE PHE 601 -9.166 -20.612 8.175 140 HE2 PHE 601 1HE PHE 601 -9.818 -20.152 3.991 141 HZ PHE 601 HZ PHE 601 -9.231 -21.574 5.912 142 H SER 602 H SER 602 -10.941 -14.773 9.514 143 HA SER 602 HA SER 602 -11.670 -12.191 8.356 144 HB2 SER 602 2HB SER 602 -11.608 -11.398 10.718 145 HB3 SER 602 1HB SER 602 -12.782 -12.690 10.461 146 HG SER 602 HG SER 602 -10.169 -13.349 11.248 147 H PHE 603 H PHE 603 -10.119 -10.756 7.947 148 HA PHE 603 HA PHE 603 -7.416 -11.475 8.777 149 HB2 PHE 603 2HB PHE 603 -8.364 -10.395 6.137 150 HB3 PHE 603 1HB PHE 603 -6.683 -10.318 6.640 151 HD1 PHE 603 2HD PHE 603 -9.432 -12.597 5.574 152 HD2 PHE 603 1HD PHE 603 -5.321 -12.264 6.678 153 HE1 PHE 603 2HE PHE 603 -8.996 -14.833 4.696 154 HE2 PHE 603 1HE PHE 603 -4.911 -14.509 5.781 155 HZ PHE 603 HZ PHE 603 -6.749 -15.792 4.792 156 H ASP 604 H ASP 604 -6.477 -10.089 9.978 157 HA ASP 604 HA ASP 604 -7.250 -7.223 9.913 158 HB2 ASP 604 2HB ASP 604 -6.255 -7.056 12.138 159 HB3 ASP 604 1HB ASP 604 -7.496 -8.291 12.151 160 H LEU 605 H LEU 605 -6.117 -6.039 8.755 161 HA LEU 605 HA LEU 605 -3.377 -6.828 8.254 162 HB2 LEU 605 2HB LEU 605 -5.272 -5.020 6.752 163 HB3 LEU 605 1HB LEU 605 -3.552 -4.973 6.444 164 HG LEU 605 HG LEU 605 -4.754 -6.283 4.764 165 HD13 LEU 605 1HD LEU 605 -2.463 -6.874 5.162 166 HD21 LEU 605 2HD LEU 605 -5.705 -8.467 5.290 167 H THR 606 H THR 606 -4.558 -5.586 10.572 168 HA THR 606 HA THR 606 -3.985 -2.963 10.986 169 HB THR 606 HB THR 606 -3.832 -5.113 13.075 170 HG1 THR 606 1HG THR 606 -6.312 -4.663 12.805 171 HG21 THR 606 2HG THR 606 -5.194 -3.509 14.250 172 HA PRO 607 HA PRO 607 0.413 -4.544 12.746 173 HB2 PRO 607 2HB PRO 607 1.361 -6.786 11.418 174 HB3 PRO 607 1HB PRO 607 0.629 -6.809 13.028 175 HG2 PRO 607 2HG PRO 607 -0.597 -7.444 10.379 176 HG3 PRO 607 1HG PRO 607 -0.804 -8.258 11.938 177 HD2 PRO 607 2HD PRO 607 -2.659 -6.589 10.982 178 HD3 PRO 607 1HD PRO 607 -2.291 -6.665 12.717 179 H LEU 608 H LEU 608 -0.777 -4.677 9.546 180 HA LEU 608 HA LEU 608 1.689 -4.206 8.147 181 HB2 LEU 608 2HB LEU 608 -1.207 -4.096 7.347 182 HB3 LEU 608 1HB LEU 608 0.088 -3.706 6.223 183 HG LEU 608 HG LEU 608 -0.810 -5.966 5.825 184 HD13 LEU 608 1HD LEU 608 1.195 -7.215 5.858 185 HD21 LEU 608 2HD LEU 608 -0.584 -7.741 7.431 186 H THR 609 H THR 609 -0.622 -2.309 9.802 187 HA THR 609 HA THR 609 -0.292 0.201 8.429 188 HB THR 609 HB THR 609 -1.314 -0.390 11.215 189 HG1 THR 609 1HG THR 609 -2.820 -0.282 8.815 190 HG21 THR 609 2HG THR 609 -0.957 1.991 10.664 191 H LYS 610 H LYS 610 1.217 1.640 8.670 192 HA LYS 610 HA LYS 610 2.773 1.606 11.159 193 HB2 LYS 610 2HB LYS 610 3.857 1.921 8.369 194 HB3 LYS 610 1HB LYS 610 4.750 2.221 9.843 195 HG2 LYS 610 2HG LYS 610 4.418 -0.174 10.437 196 HG3 LYS 610 1HG LYS 610 3.675 -0.403 8.864 197 HD2 LYS 610 2HD LYS 610 5.689 0.284 7.741 198 HD3 LYS 610 1HD LYS 610 6.454 0.674 9.280 199 HE2 LYS 610 2HE LYS 610 6.338 -1.681 9.929 200 HE3 LYS 610 1HE LYS 610 5.554 -2.065 8.396 201 HZ1 LYS 610 3HZ LYS 610 7.935 -2.532 8.362 202 HZ2 LYS 610 1HZ LYS 610 8.271 -0.906 8.677 203 HZ3 LYS 610 2HZ LYS 610 7.532 -1.342 7.237 204 H LYS 611 H LYS 611 3.173 3.630 11.971 205 HA LYS 611 HA LYS 611 1.962 5.899 10.725 206 HB2 LYS 611 2HB LYS 611 3.859 5.765 13.074 207 HB3 LYS 611 1HB LYS 611 3.030 7.215 12.522 208 HG2 LYS 611 2HG LYS 611 0.867 6.132 13.005 209 HG3 LYS 611 1HG LYS 611 1.737 4.721 13.609 210 HD2 LYS 611 2HD LYS 611 1.067 6.135 15.471 211 HD3 LYS 611 1HD LYS 611 2.822 6.140 15.299 212 HE2 LYS 611 2HE LYS 611 2.698 8.307 14.136 213 HE3 LYS 611 1HE LYS 611 0.944 8.287 14.306 214 HZ1 LYS 611 3HZ LYS 611 1.983 9.646 15.983 215 HZ2 LYS 611 1HZ LYS 611 2.911 8.344 16.520 216 HZ3 LYS 611 2HZ LYS 611 1.239 8.320 16.703 217 H ASP 612 H ASP 612 5.061 4.450 10.821 218 HA ASP 612 HA ASP 612 6.580 6.566 9.669 219 HB2 ASP 612 2HB ASP 612 7.623 4.687 10.886 220 HB3 ASP 612 1HB ASP 612 7.057 3.566 9.662 221 H ALA 613 H ALA 613 4.441 4.200 8.508 222 HA ALA 613 HA ALA 613 3.423 3.778 6.578 223 HB1 ALA 613 1HB ALA 613 3.028 6.181 6.577 224 HB2 ALA 613 2HB ALA 613 3.213 5.545 4.940 225 HB3 ALA 613 3HB ALA 613 4.537 6.426 5.699 226 H TYR 614 H TYR 614 3.794 3.788 4.076 227 HA TYR 614 HA TYR 614 6.453 2.641 3.626 228 HB2 TYR 614 2HB TYR 614 3.756 1.905 2.483 229 HB3 TYR 614 1HB TYR 614 5.286 1.229 1.947 230 HD1 TYR 614 2HD TYR 614 3.217 1.592 5.148 231 HD2 TYR 614 1HD TYR 614 5.996 -0.757 2.878 232 HE1 TYR 614 2HE TYR 614 3.025 -0.114 6.722 233 HE2 TYR 614 1HE TYR 614 5.799 -2.541 4.519 234 HH TYR 614 HH TYR 614 3.326 -2.477 6.896 235 H LYS 615 H LYS 615 7.597 3.557 1.990 236 HA LYS 615 HA LYS 615 6.123 5.244 0.098 237 HB2 LYS 615 2HB LYS 615 7.846 6.533 1.303 238 HB3 LYS 615 1HB LYS 615 9.111 5.456 0.839 239 HG2 LYS 615 2HG LYS 615 8.277 6.011 -1.567 240 HG3 LYS 615 1HG LYS 615 7.586 7.436 -0.799 241 HD2 LYS 615 2HD LYS 615 10.456 6.508 -0.690 242 HD3 LYS 615 1HD LYS 615 9.913 7.842 -1.717 243 HE2 LYS 615 2HE LYS 615 9.357 9.063 0.370 244 HE3 LYS 615 1HE LYS 615 10.001 7.710 1.307 245 HZ1 LYS 615 3HZ LYS 615 11.632 9.501 1.051 246 HZ2 LYS 615 1HZ LYS 615 11.557 9.382 -0.615 247 HZ3 LYS 615 2HZ LYS 615 12.171 8.117 0.314 248 H VAL 616 H VAL 616 6.269 4.806 -1.973 249 HA VAL 616 HA VAL 616 8.025 2.637 -2.921 250 HB VAL 616 HB VAL 616 5.516 3.757 -4.190 251 HG13 VAL 616 1HG VAL 616 7.053 2.789 -5.799 252 HG21 VAL 616 2HG VAL 616 5.824 1.194 -2.625 253 H GLU 617 H GLU 617 9.317 3.208 -4.723 254 HA GLU 617 HA GLU 617 9.387 6.113 -5.216 255 HB2 GLU 617 2HB GLU 617 11.714 4.187 -5.336 256 HB3 GLU 617 1HB GLU 617 11.784 5.896 -5.693 257 HG2 GLU 617 2HG GLU 617 12.736 5.621 -3.562 258 HG3 GLU 617 1HG GLU 617 11.135 6.283 -3.267 259 H THR 618 H THR 618 9.559 6.872 -7.330 260 HA THR 618 HA THR 618 9.958 4.895 -9.421 261 HB THR 618 HB THR 618 8.312 6.103 -10.856 262 HG1 THR 618 1HG THR 618 7.937 7.624 -8.508 263 HG21 THR 618 2HG THR 618 6.229 5.479 -9.787 264 H ASP 619 H ASP 619 10.050 6.739 -11.519 265 HA ASP 619 HA ASP 619 12.608 7.794 -11.219 266 HB2 ASP 619 2HB ASP 619 11.724 7.258 -13.412 267 HB3 ASP 619 1HB ASP 619 10.521 8.542 -13.267 268 H LYS 620 H LYS 620 9.550 9.657 -11.423 269 HA LYS 620 HA LYS 620 11.029 11.632 -9.896 270 HB2 LYS 620 2HB LYS 620 9.878 13.524 -11.037 271 HB3 LYS 620 1HB LYS 620 10.911 12.613 -12.107 272 HG2 LYS 620 2HG LYS 620 7.960 12.376 -11.937 273 HG3 LYS 620 1HG LYS 620 8.796 13.423 -13.075 274 HD2 LYS 620 2HD LYS 620 9.862 11.445 -14.073 275 HD3 LYS 620 1HD LYS 620 9.007 10.405 -12.933 276 HE2 LYS 620 2HE LYS 620 6.874 11.209 -13.824 277 HE3 LYS 620 1HE LYS 620 7.744 12.226 -14.969 278 HZ1 LYS 620 3HZ LYS 620 7.844 9.253 -14.872 279 HZ2 LYS 620 1HZ LYS 620 8.684 10.228 -15.964 280 HZ3 LYS 620 2HZ LYS 620 7.005 10.179 -16.002 281 H TYR 621 H TYR 621 8.661 9.632 -9.483 282 HA TYR 621 HA TYR 621 7.394 11.472 -7.592 283 HB2 TYR 621 2HB TYR 621 5.990 9.359 -9.264 284 HB3 TYR 621 1HB TYR 621 5.254 10.134 -7.868 285 HD1 TYR 621 1HD TYR 621 6.931 11.007 -11.022 286 HD2 TYR 621 2HD TYR 621 3.928 12.002 -8.246 287 HE1 TYR 621 1HE TYR 621 6.246 12.846 -12.495 288 HE2 TYR 621 2HE TYR 621 3.171 13.865 -9.700 289 HH TYR 621 HH TYR 621 4.123 15.312 -11.469 290 H GLU 622 H GLU 622 6.517 10.421 -5.731 291 HA GLU 622 HA GLU 622 7.463 7.738 -5.253 292 HB2 GLU 622 2HB GLU 622 8.261 8.369 -3.026 293 HB3 GLU 622 1HB GLU 622 9.149 9.258 -4.254 294 HG2 GLU 622 2HG GLU 622 7.579 11.156 -3.872 295 HG3 GLU 622 1HG GLU 622 6.901 10.234 -2.569 296 H PHE 623 H PHE 623 6.098 6.665 -3.900 297 HA PHE 623 HA PHE 623 3.608 8.110 -3.478 298 HB2 PHE 623 2HB PHE 623 3.984 5.163 -4.060 299 HB3 PHE 623 1HB PHE 623 2.448 5.922 -3.696 300 HD1 PHE 623 1HD PHE 623 5.229 5.880 -6.162 301 HD2 PHE 623 2HD PHE 623 1.166 6.899 -5.404 302 HE1 PHE 623 1HE PHE 623 4.888 6.323 -8.553 303 HE2 PHE 623 2HE PHE 623 0.833 7.342 -7.786 304 HZ PHE 623 HZ PHE 623 2.698 7.052 -9.366 305 H HIS 624 H HIS 624 3.056 8.305 -1.392 306 HA HIS 624 HA HIS 624 4.154 6.375 0.522 307 HB2 HIS 624 2HB HIS 624 2.990 9.121 0.979 308 HB3 HIS 624 1HB HIS 624 3.499 7.991 2.230 309 HD1 HIS 624 1HD HIS 624 6.029 7.668 2.575 310 HD2 HIS 624 2HD HIS 624 5.045 10.466 -0.327 311 HE1 HIS 624 1HE HIS 624 8.136 8.792 2.025 312 HE2 HIS 624 2HE HIS 624 7.586 10.304 0.094 313 H ILE 625 H ILE 625 2.826 4.969 1.321 314 HA ILE 625 HA ILE 625 -0.009 5.610 1.472 315 HB ILE 625 HB ILE 625 -0.665 3.423 0.606 316 HG12 ILE 625 1HG ILE 625 2.290 2.974 0.254 317 HG23 ILE 625 2HG ILE 625 -0.075 3.641 -1.777 318 HD11 ILE 625 1HD ILE 625 1.037 1.970 -1.682 319 H ASN 626 H ASN 626 -1.034 4.352 2.993 320 HA ASN 626 HA ASN 626 0.651 2.683 4.721 321 HB2 ASN 626 2HB ASN 626 0.374 4.905 5.800 322 HB3 ASN 626 1HB ASN 626 -1.372 4.736 5.683 323 HD21 ASN 626 2HD ASN 626 -1.188 3.639 8.973 324 H VAL 627 H VAL 627 -0.560 1.012 5.767 325 HA VAL 627 HA VAL 627 -2.935 0.242 4.274 326 HB VAL 627 HB VAL 627 -1.468 -1.223 6.495 327 HG13 VAL 627 1HG VAL 627 -3.671 -2.163 4.652 328 HG21 VAL 627 2HG VAL 627 -0.140 -1.034 4.483 329 H CYS 628 H CYS 628 -4.634 1.257 4.810 330 HA CYS 628 HA CYS 628 -6.526 1.681 5.920 331 HB2 CYS 628 2HB CYS 628 -6.331 -0.405 7.140 332 HB3 CYS 628 1HB CYS 628 -5.123 0.279 8.210 333 H GLY 629 H GLY 629 -7.271 3.431 6.895 334 HA2 GLY 629 2HA GLY 629 -7.356 5.398 8.153 335 HA3 GLY 629 1HA GLY 629 -5.861 4.915 8.927 336 HA PRO 630 HA PRO 630 -4.611 8.289 6.189 337 HB2 PRO 630 2HB PRO 630 -3.395 9.748 8.010 338 HB3 PRO 630 1HB PRO 630 -5.158 9.750 7.821 339 HG2 PRO 630 2HG PRO 630 -3.482 8.220 9.811 340 HG3 PRO 630 1HG PRO 630 -4.953 9.187 10.131 341 HD2 PRO 630 2HD PRO 630 -4.841 6.492 9.847 342 HD3 PRO 630 1HD PRO 630 -6.276 7.461 9.457 343 H VAL 631 H VAL 631 -2.406 9.114 5.848 344 HA VAL 631 HA VAL 631 -0.350 7.213 6.677 345 HB VAL 631 HB VAL 631 -0.834 7.303 4.226 346 HG13 VAL 631 1HG VAL 631 0.146 10.115 4.284 347 HG21 VAL 631 2HG VAL 631 1.876 8.075 5.165 348 H SER 632 H SER 632 1.337 8.056 7.829 349 HA SER 632 HA SER 632 1.093 10.890 8.381 350 HB2 SER 632 2HB SER 632 0.957 9.430 10.339 351 HB3 SER 632 1HB SER 632 2.542 8.758 9.960 352 HG SER 632 HG SER 632 3.415 10.827 10.264 353 H VAL 633 H VAL 633 2.061 11.367 6.355 354 HA VAL 633 HA VAL 633 5.010 11.269 6.521 355 HB VAL 633 HB VAL 633 3.341 11.608 4.022 356 HG13 VAL 633 1HG VAL 633 5.432 11.208 2.820 357 HG21 VAL 633 2HG VAL 633 4.035 9.355 3.451 358 H GLY 634 H GLY 634 6.093 13.171 6.353 359 HA2 GLY 634 2HA GLY 634 4.629 15.616 6.719 360 HA3 GLY 634 1HA GLY 634 6.376 15.449 6.615 361 H ALA 635 H ALA 635 3.666 14.848 4.499 362 HA ALA 635 HA ALA 635 4.589 16.802 2.555 363 HB1 ALA 635 1HB ALA 635 5.823 14.777 1.908 364 HB2 ALA 635 2HB ALA 635 4.621 15.200 0.689 365 HB3 ALA 635 3HB ALA 635 4.307 13.881 1.816 366 H CYS 636 H CYS 636 2.189 14.614 3.860 367 HA CYS 636 HA CYS 636 0.173 16.070 2.397 368 HB2 CYS 636 2HB CYS 636 -1.058 13.905 2.144 369 HB3 CYS 636 1HB CYS 636 0.409 14.039 1.180 370 HA PRO 637 HA PRO 637 -1.751 16.647 6.299 371 HB2 PRO 637 2HB PRO 637 -4.390 16.546 5.548 372 HB3 PRO 637 1HB PRO 637 -3.354 17.956 5.308 373 HG2 PRO 637 2HG PRO 637 -4.101 15.799 3.374 374 HG3 PRO 637 1HG PRO 637 -4.001 17.549 3.114 375 HD2 PRO 637 2HD PRO 637 -2.058 15.918 2.295 376 HD3 PRO 637 1HD PRO 637 -1.687 17.522 2.962 377 HA PRO 638 HA PRO 638 -2.854 12.690 8.113 378 HB2 PRO 638 2HB PRO 638 -4.822 14.252 9.702 379 HB3 PRO 638 1HB PRO 638 -3.540 13.173 10.252 380 HG2 PRO 638 2HG PRO 638 -3.275 15.811 10.477 381 HG3 PRO 638 1HG PRO 638 -1.898 14.788 10.034 382 HD2 PRO 638 2HD PRO 638 -3.569 16.564 8.308 383 HD3 PRO 638 1HD PRO 638 -1.825 16.236 8.258 384 H ASP 639 H ASP 639 -5.096 14.672 6.488 385 HA ASP 639 HA ASP 639 -7.383 12.953 6.794 386 HB2 ASP 639 2HB ASP 639 -6.919 15.166 4.785 387 HB3 ASP 639 1HB ASP 639 -8.450 14.344 5.068 388 H SER 640 H SER 640 -4.581 12.779 4.921 389 HA SER 640 HA SER 640 -5.946 11.094 2.965 390 HB2 SER 640 2HB SER 640 -3.873 11.392 1.555 391 HB3 SER 640 1HB SER 640 -4.797 12.866 1.834 392 HG SER 640 HG SER 640 -2.953 12.611 3.785 393 H GLY 641 H GLY 641 -5.392 9.006 2.613 394 HA2 GLY 641 2HA GLY 641 -3.580 7.783 4.591 395 HA3 GLY 641 1HA GLY 641 -4.867 6.940 3.733 396 H ALA 642 H ALA 642 -3.788 8.554 1.327 397 HA ALA 642 HA ALA 642 -1.233 7.302 0.854 398 HB1 ALA 642 1HB ALA 642 -2.707 5.580 0.009 399 HB2 ALA 642 2HB ALA 642 -2.015 6.448 -1.347 400 HB3 ALA 642 3HB ALA 642 -3.674 6.791 -0.872 401 H CYS 643 H CYS 643 0.006 8.720 -0.080 402 HA CYS 643 HA CYS 643 -1.206 10.842 -1.643 403 HB2 CYS 643 2HB CYS 643 0.046 12.567 -0.436 404 HB3 CYS 643 1HB CYS 643 -1.098 11.742 0.615 405 H GLN 644 H GLN 644 0.005 11.474 -3.319 406 HA GLN 644 HA GLN 644 2.676 10.286 -3.505 407 HB2 GLN 644 2HB GLN 644 2.571 10.921 -5.809 408 HB3 GLN 644 1HB GLN 644 1.464 9.566 -5.457 409 HG2 GLN 644 2HG GLN 644 -0.367 11.264 -5.521 410 HG3 GLN 644 1HG GLN 644 0.827 12.502 -5.865 411 HE21 GLN 644 2HE GLN 644 0.644 9.796 -8.876 412 H VAL 645 H VAL 645 4.371 11.531 -4.039 413 HA VAL 645 HA VAL 645 3.865 14.318 -4.416 414 HB VAL 645 HB VAL 645 4.350 14.315 -2.066 415 HG13 VAL 645 1HG VAL 645 6.783 12.652 -2.635 416 HG21 VAL 645 2HG VAL 645 5.490 16.088 -3.289 417 H SER 646 H SER 646 4.952 15.181 -5.892 418 HA SER 646 HA SER 646 6.659 13.566 -7.535 419 HB2 SER 646 2HB SER 646 5.112 15.142 -8.586 420 HB3 SER 646 1HB SER 646 5.853 16.482 -7.712 421 HG SER 646 HG SER 646 6.591 16.286 -9.889 422 H ARG 647 H ARG 647 8.711 13.334 -7.060 423 HA ARG 647 HA ARG 647 9.961 15.010 -5.113 424 HB2 ARG 647 2HB ARG 647 11.926 13.601 -5.395 425 HB3 ARG 647 1HB ARG 647 10.491 12.601 -5.298 426 HG2 ARG 647 2HG ARG 647 10.550 12.576 -7.847 427 HG3 ARG 647 1HG ARG 647 12.182 13.223 -7.680 428 HD2 ARG 647 2HD ARG 647 11.139 10.624 -6.567 429 HD3 ARG 647 1HD ARG 647 12.260 10.826 -7.903 430 HE ARG 647 HE ARG 647 13.310 12.037 -5.598 431 HH12 ARG 647 1HH ARG 647 13.886 8.056 -6.064 432 HH21 ARG 647 2HH ARG 647 15.171 9.259 -4.504 433 H SER 648 H SER 648 9.518 15.086 -8.441 434 HA SER 648 HA SER 648 11.690 16.832 -9.082 435 HB2 SER 648 2HB SER 648 10.618 15.277 -10.771 436 HB3 SER 648 1HB SER 648 9.166 16.235 -10.623 437 HG SER 648 HG SER 648 11.681 17.113 -11.530 438 H ASP 649 H ASP 649 8.167 17.171 -8.574 439 HA ASP 649 HA ASP 649 8.392 20.066 -9.003 440 HB2 ASP 649 2HB ASP 649 5.891 18.437 -8.542 441 HB3 ASP 649 1HB ASP 649 5.958 20.133 -8.983 442 H ARG 650 H ARG 650 8.270 17.935 -6.453 443 HA ARG 650 HA ARG 650 8.040 18.095 -4.208 444 HB2 ARG 650 2HB ARG 650 8.553 21.017 -4.772 445 HB3 ARG 650 1HB ARG 650 8.289 20.415 -3.149 446 HG2 ARG 650 2HG ARG 650 10.650 20.710 -3.516 447 HG3 ARG 650 1HG ARG 650 10.301 18.994 -3.396 448 HD2 ARG 650 2HD ARG 650 10.473 18.783 -5.827 449 HD3 ARG 650 1HD ARG 650 10.744 20.521 -5.974 450 HE ARG 650 HE ARG 650 12.640 19.497 -4.209 451 HH12 ARG 650 1HH ARG 650 13.569 18.954 -8.114 452 HH21 ARG 650 2HH ARG 650 15.237 18.882 -6.474 453 H LYS 651 H LYS 651 5.785 18.469 -6.059 454 HA LYS 651 HA LYS 651 3.804 19.594 -4.204 455 HB2 LYS 651 2HB LYS 651 3.537 18.745 -7.054 456 HB3 LYS 651 1HB LYS 651 2.250 19.423 -6.076 457 HG2 LYS 651 2HG LYS 651 3.783 21.426 -5.774 458 HG3 LYS 651 1HG LYS 651 4.787 20.697 -6.974 459 HD2 LYS 651 2HD LYS 651 3.332 22.265 -8.159 460 HD3 LYS 651 1HD LYS 651 3.004 20.568 -8.573 461 HE2 LYS 651 2HE LYS 651 0.930 21.826 -8.363 462 HE3 LYS 651 1HE LYS 651 1.028 20.574 -7.148 463 HZ1 LYS 651 3HZ LYS 651 1.657 22.314 -5.508 464 HZ2 LYS 651 1HZ LYS 651 0.184 22.630 -6.243 465 HZ3 LYS 651 2HZ LYS 651 1.536 23.486 -6.707 466 H SER 652 H SER 652 1.857 18.384 -3.881 467 HA SER 652 HA SER 652 2.220 15.509 -4.264 468 HB2 SER 652 2HB SER 652 1.162 16.625 -1.661 469 HB3 SER 652 1HB SER 652 1.640 14.974 -2.139 470 HG SER 652 HG SER 652 3.722 16.346 -2.598 471 H TRP 653 H TRP 653 0.280 14.309 -4.079 472 HA TRP 653 HA TRP 653 -2.180 15.827 -4.518 473 HB2 TRP 653 2HB TRP 653 -1.181 13.494 -6.180 474 HB3 TRP 653 1HB TRP 653 -2.798 14.164 -6.294 475 HD1 TRP 653 HD TRP 653 -3.103 16.323 -7.768 476 HE1 TRP 653 1HE TRP 653 -1.532 17.669 -9.316 477 HE3 TRP 653 3HE TRP 653 1.373 14.283 -6.382 478 HZ2 TRP 653 2HZ TRP 653 1.235 17.829 -9.870 479 HZ3 TRP 653 3HZ TRP 653 3.402 15.047 -7.432 480 HH2 TRP 653 HH TRP 653 3.359 16.809 -9.166 481 H ASN 654 H ASN 654 -4.093 14.490 -4.158 482 HA ASN 654 HA ASN 654 -3.703 12.727 -1.848 483 HB2 ASN 654 2HB ASN 654 -5.375 14.734 -1.888 484 HB3 ASN 654 1HB ASN 654 -6.242 13.794 -3.055 485 HD21 ASN 654 2HD ASN 654 -7.611 13.341 0.367 486 H LEU 655 H LEU 655 -3.859 10.545 -2.166 487 HA LEU 655 HA LEU 655 -5.063 9.605 -4.678 488 HB2 LEU 655 2HB LEU 655 -3.062 8.255 -2.875 489 HB3 LEU 655 1HB LEU 655 -3.667 7.629 -4.388 490 HG LEU 655 HG LEU 655 -1.897 10.030 -4.011 491 HD13 LEU 655 1HD LEU 655 -0.734 7.946 -3.722 492 HD21 LEU 655 2HD LEU 655 -3.057 8.858 -6.535 493 H GLY 656 H GLY 656 -6.165 10.195 -1.869 494 HA2 GLY 656 2HA GLY 656 -8.326 8.808 -1.670 495 HA3 GLY 656 1HA GLY 656 -7.181 7.543 -1.241 496 H ARG 657 H ARG 657 -9.224 9.731 0.014 497 HA ARG 657 HA ARG 657 -7.654 10.752 2.106 498 HB2 ARG 657 2HB ARG 657 -9.628 11.815 2.829 499 HB3 ARG 657 1HB ARG 657 -9.832 11.590 1.104 500 HG2 ARG 657 2HG ARG 657 -11.951 11.123 1.965 501 HG3 ARG 657 1HG ARG 657 -11.237 9.531 1.725 502 HD2 ARG 657 2HD ARG 657 -12.401 9.676 3.877 503 HD3 ARG 657 1HD ARG 657 -10.671 9.404 4.092 504 HE ARG 657 HE ARG 657 -11.257 12.164 4.109 505 HH12 ARG 657 1HH ARG 657 -11.455 10.209 7.648 506 HH21 ARG 657 2HH ARG 657 -11.166 12.557 7.587 507 H SER 658 H SER 658 -8.115 10.170 4.467 508 HA SER 658 HA SER 658 -7.307 7.550 4.821 509 HB2 SER 658 2HB SER 658 -7.842 7.994 7.239 510 HB3 SER 658 1HB SER 658 -6.710 9.119 6.466 511 HG SER 658 HG SER 658 -9.486 9.501 6.896 512 H ASN 659 H ASN 659 -8.324 5.821 4.512 513 HA ASN 659 HA ASN 659 -11.011 5.466 5.433 514 HB2 ASN 659 2HB ASN 659 -11.335 6.235 3.166 515 HB3 ASN 659 1HB ASN 659 -10.090 5.153 2.564 516 HD21 ASN 659 2HD ASN 659 -12.280 2.548 2.019 517 H ALA 660 H ALA 660 -11.482 3.018 5.490 518 HA ALA 660 HA ALA 660 -8.919 1.613 5.632 519 HB1 ALA 660 1HB ALA 660 -9.593 0.742 7.814 520 HB2 ALA 660 2HB ALA 660 -11.067 1.729 7.714 521 HB3 ALA 660 3HB ALA 660 -9.492 2.489 7.799 522 H LYS 661 H LYS 661 -11.468 1.634 3.897 523 HA LYS 661 HA LYS 661 -12.733 -0.830 4.516 524 HB2 LYS 661 2HB LYS 661 -12.965 0.763 1.944 525 HB3 LYS 661 1HB LYS 661 -13.954 -0.603 2.434 526 HG2 LYS 661 2HG LYS 661 -13.860 2.064 3.792 527 HG3 LYS 661 1HG LYS 661 -15.158 1.423 2.783 528 HD2 LYS 661 2HD LYS 661 -15.243 -0.530 4.466 529 HD3 LYS 661 1HD LYS 661 -14.214 0.539 5.449 530 HE2 LYS 661 2HE LYS 661 -16.897 1.292 4.370 531 HE3 LYS 661 1HE LYS 661 -16.641 0.677 6.005 532 HZ1 LYS 661 3HZ LYS 661 -16.767 3.112 5.934 533 HZ2 LYS 661 1HZ LYS 661 -15.456 3.170 4.887 534 HZ3 LYS 661 2HZ LYS 661 -15.258 2.589 6.458 535 H LEU 662 H LEU 662 -11.525 -2.526 4.512 536 HA LEU 662 HA LEU 662 -9.810 -3.227 2.298 537 HB2 LEU 662 2HB LEU 662 -10.677 -4.655 4.789 538 HB3 LEU 662 1HB LEU 662 -9.641 -5.416 3.590 539 HG LEU 662 HG LEU 662 -8.931 -2.944 5.205 540 HD13 LEU 662 1HD LEU 662 -9.136 -4.974 6.581 541 HD21 LEU 662 2HD LEU 662 -7.230 -4.750 3.506 542 H SER 663 H SER 663 -10.230 -4.928 0.889 543 HA SER 663 HA SER 663 -12.928 -6.020 0.934 544 HB2 SER 663 2HB SER 663 -11.502 -4.894 -1.495 545 HB3 SER 663 1HB SER 663 -13.083 -5.689 -1.499 546 HG SER 663 HG SER 663 -12.955 -3.735 0.348 547 H TYR 664 H TYR 664 -13.032 -8.138 0.286 548 HA TYR 664 HA TYR 664 -10.396 -9.422 -0.116 549 HB2 TYR 664 2HB TYR 664 -11.871 -9.923 2.064 550 HB3 TYR 664 1HB TYR 664 -12.831 -10.777 0.905 551 HD1 TYR 664 2HD TYR 664 -10.059 -11.593 -0.633 552 HD2 TYR 664 1HD TYR 664 -11.746 -12.159 3.220 553 HE1 TYR 664 2HE TYR 664 -8.752 -13.639 -0.370 554 HE2 TYR 664 1HE TYR 664 -10.448 -14.208 3.492 555 HH TYR 664 HH TYR 664 -9.350 -15.885 2.099 556 H TYR 665 H TYR 665 -10.126 -10.332 -2.009 557 HA TYR 665 HA TYR 665 -12.401 -11.153 -3.627 558 HB2 TYR 665 2HB TYR 665 -9.648 -10.173 -4.336 559 HB3 TYR 665 1HB TYR 665 -10.709 -10.971 -5.496 560 HD1 TYR 665 2HD TYR 665 -10.181 -7.971 -3.481 561 HD2 TYR 665 1HD TYR 665 -12.664 -9.939 -6.278 562 HE1 TYR 665 2HE TYR 665 -11.318 -5.857 -3.940 563 HE2 TYR 665 1HE TYR 665 -13.810 -7.903 -6.754 564 HH TYR 665 HH TYR 665 -12.617 -4.849 -5.781 565 H ASP 666 H ASP 666 -12.212 -13.378 -4.411 566 HA ASP 666 HA ASP 666 -10.833 -15.229 -2.895 567 HB2 ASP 666 2HB ASP 666 -11.610 -15.426 -5.818 568 HB3 ASP 666 1HB ASP 666 -11.080 -16.784 -4.842 569 H GLY 667 H GLY 667 -8.735 -15.519 -2.594 570 HA2 GLY 667 2HA GLY 667 -6.602 -16.198 -3.379 571 HA3 GLY 667 1HA GLY 667 -6.921 -15.357 -4.880 572 H MET 668 H MET 668 -7.845 -12.883 -3.192 573 HA MET 668 HA MET 668 -5.332 -12.042 -2.045 574 HB2 MET 668 2HB MET 668 -4.986 -10.179 -3.523 575 HB3 MET 668 1HB MET 668 -4.761 -11.722 -4.351 576 HG2 MET 668 2HG MET 668 -7.097 -11.491 -5.255 577 HG3 MET 668 1HG MET 668 -7.156 -9.880 -4.549 578 HE1 MET 668 3HE MET 668 -4.325 -11.123 -7.982 579 HE2 MET 668 1HE MET 668 -5.471 -12.212 -7.195 580 HE3 MET 668 2HE MET 668 -4.062 -11.623 -6.318 581 H ILE 669 H ILE 669 -5.431 -10.203 -0.898 582 HA ILE 669 HA ILE 669 -8.099 -9.133 -0.398 583 HB ILE 669 HB ILE 669 -5.530 -8.800 1.207 584 HG12 ILE 669 1HG ILE 669 -7.971 -10.509 1.751 585 HG23 ILE 669 2HG ILE 669 -7.047 -6.891 1.491 586 HD11 ILE 669 1HD ILE 669 -6.717 -11.430 3.619 587 H GLN 670 H GLN 670 -8.524 -6.980 -0.770 588 HA GLN 670 HA GLN 670 -6.325 -5.364 -1.820 589 HB2 GLN 670 2HB GLN 670 -9.098 -5.677 -2.974 590 HB3 GLN 670 1HB GLN 670 -8.008 -4.371 -3.415 591 HG2 GLN 670 2HG GLN 670 -6.459 -5.867 -4.403 592 HG3 GLN 670 1HG GLN 670 -7.300 -7.296 -3.766 593 HE21 GLN 670 2HE GLN 670 -9.413 -5.269 -6.586 594 H LEU 671 H LEU 671 -6.471 -3.191 -1.368 595 HA LEU 671 HA LEU 671 -8.549 -2.453 0.608 596 HB2 LEU 671 2HB LEU 671 -6.131 -2.675 1.438 597 HB3 LEU 671 1HB LEU 671 -5.742 -1.307 0.425 598 HG LEU 671 HG LEU 671 -7.590 -1.290 2.831 599 HD13 LEU 671 1HD LEU 671 -5.301 -1.579 3.455 600 HD21 LEU 671 2HD LEU 671 -8.272 0.408 1.205 601 H THR 672 H THR 672 -9.778 -0.746 0.006 602 HA THR 672 HA THR 672 -8.901 0.723 -2.382 603 HB THR 672 HB THR 672 -11.750 0.313 -1.421 604 HG1 THR 672 1HG THR 672 -10.132 -1.473 -2.375 605 HG21 THR 672 2HG THR 672 -10.578 1.136 -4.089 606 H TYR 673 H TYR 673 -8.539 2.843 -2.024 607 HA TYR 673 HA TYR 673 -9.602 4.062 0.399 608 HB2 TYR 673 2HB TYR 673 -7.383 4.775 -1.421 609 HB3 TYR 673 1HB TYR 673 -8.104 6.059 -0.429 610 HD1 TYR 673 1HD TYR 673 -8.049 5.837 2.004 611 HD2 TYR 673 2HD TYR 673 -5.869 3.169 -0.478 612 HE1 TYR 673 1HE TYR 673 -6.740 5.135 3.937 613 HE2 TYR 673 2HE TYR 673 -4.542 2.452 1.479 614 HH TYR 673 HH TYR 673 -3.935 3.333 3.804 615 H ARG 674 H ARG 674 -9.839 6.730 -0.209 616 HA ARG 674 HA ARG 674 -12.320 6.547 -1.661 617 HB2 ARG 674 2HB ARG 674 -11.116 8.654 0.054 618 HB3 ARG 674 1HB ARG 674 -12.638 8.861 -0.791 619 HG2 ARG 674 2HG ARG 674 -12.031 6.794 1.297 620 HG3 ARG 674 1HG ARG 674 -13.037 8.233 1.534 621 HD2 ARG 674 2HD ARG 674 -13.594 5.829 -0.211 622 HD3 ARG 674 1HD ARG 674 -14.533 6.427 1.157 623 HE ARG 674 HE ARG 674 -14.591 8.517 -0.494 624 HH12 ARG 674 1HH ARG 674 -16.417 5.393 -2.297 625 HH21 ARG 674 2HH ARG 674 -16.767 7.636 -3.087 626 H ASP 675 H ASP 675 -12.932 8.620 -2.709 627 HA ASP 675 HA ASP 675 -11.755 8.945 -5.129 628 HB2 ASP 675 2HB ASP 675 -13.213 11.040 -5.219 629 HB3 ASP 675 1HB ASP 675 -14.032 9.525 -4.834 630 H GLY 676 H GLY 676 -11.273 10.846 -2.281 631 HA2 GLY 676 2HA GLY 676 -9.525 12.255 -1.594 632 HA3 GLY 676 1HA GLY 676 -8.574 11.488 -2.850 633 H THR 677 H THR 677 -7.711 12.921 -4.173 634 HA THR 677 HA THR 677 -9.232 15.309 -4.804 635 HB THR 677 HB THR 677 -6.248 14.809 -4.819 636 HG1 THR 677 1HG THR 677 -7.906 16.593 -3.382 637 HG21 THR 677 2HG THR 677 -5.972 17.129 -5.567 638 HA PRO 678 HA PRO 678 -9.515 13.068 -8.665 639 HB2 PRO 678 2HB PRO 678 -11.067 14.778 -10.038 640 HB3 PRO 678 1HB PRO 678 -11.685 13.741 -8.787 641 HG2 PRO 678 2HG PRO 678 -10.986 16.633 -8.567 642 HG3 PRO 678 1HG PRO 678 -12.375 15.763 -7.893 643 HD2 PRO 678 2HD PRO 678 -10.163 16.415 -6.435 644 HD3 PRO 678 1HD PRO 678 -11.172 14.997 -6.093 645 H TYR 679 H TYR 679 -7.844 12.865 -9.797 646 HA TYR 679 HA TYR 679 -5.792 13.394 -10.707 647 HB2 TYR 679 2HB TYR 679 -7.911 13.896 -12.758 648 HB3 TYR 679 1HB TYR 679 -6.225 14.075 -13.168 649 HD1 TYR 679 1HD TYR 679 -8.371 11.545 -11.436 650 HD2 TYR 679 2HD TYR 679 -5.312 12.301 -14.268 651 HE1 TYR 679 1HE TYR 679 -8.302 9.159 -11.989 652 HE2 TYR 679 2HE TYR 679 -5.233 9.925 -14.831 653 HH TYR 679 HH TYR 679 -5.821 7.779 -13.819 654 H ASN 680 H ASN 680 -7.093 15.722 -12.675 655 HA ASN 680 HA ASN 680 -6.314 18.172 -11.692 656 HB2 ASN 680 2HB ASN 680 -4.129 18.487 -12.864 657 HB3 ASN 680 1HB ASN 680 -4.000 17.288 -11.582 658 HD21 ASN 680 2HD ASN 680 -3.308 16.290 -15.453 659 H ASN 681 H ASN 681 -8.100 16.456 -13.485 660 HA ASN 681 HA ASN 681 -7.569 17.619 -16.074 661 HB2 ASN 681 2HB ASN 681 -8.910 15.729 -16.949 662 HB3 ASN 681 1HB ASN 681 -7.500 15.173 -16.066 663 HD21 ASN 681 2HD ASN 681 -10.638 13.223 -15.208 664 H GLU 682 H GLU 682 -9.465 18.196 -17.258 665 HA GLU 682 HA GLU 682 -11.098 19.973 -15.821 666 HB2 GLU 682 2HB GLU 682 -10.377 20.244 -18.149 667 HB3 GLU 682 1HB GLU 682 -11.368 18.886 -18.616 668 HG2 GLU 682 2HG GLU 682 -13.357 20.137 -17.996 669 HG3 GLU 682 1HG GLU 682 -12.339 21.507 -17.532 670 H LYS 683 H LYS 683 -11.489 16.669 -16.729 671 HA LYS 683 HA LYS 683 -14.324 16.455 -16.393 672 HB2 LYS 683 2HB LYS 683 -13.037 14.870 -17.719 673 HB3 LYS 683 1HB LYS 683 -12.158 14.375 -16.280 674 HG2 LYS 683 2HG LYS 683 -14.284 13.587 -15.298 675 HG3 LYS 683 1HG LYS 683 -15.099 14.000 -16.807 676 HD2 LYS 683 2HD LYS 683 -13.666 12.518 -18.008 677 HD3 LYS 683 1HD LYS 683 -12.806 12.094 -16.519 678 HE2 LYS 683 2HE LYS 683 -14.975 11.249 -15.593 679 HE3 LYS 683 1HE LYS 683 -15.715 11.544 -17.163 680 HZ1 LYS 683 3HZ LYS 683 -14.142 9.876 -18.126 681 HZ2 LYS 683 1HZ LYS 683 -15.078 9.227 -16.890 682 HZ3 LYS 683 2HZ LYS 683 -13.508 9.642 -16.585 683 H ARG 684 H ARG 684 -11.492 16.227 -14.295 684 HA ARG 684 HA ARG 684 -11.154 15.758 -12.201 685 HB2 ARG 684 2HB ARG 684 -13.950 16.854 -11.832 686 HB3 ARG 684 1HB ARG 684 -12.871 16.464 -10.496 687 HG2 ARG 684 2HG ARG 684 -12.274 18.455 -12.671 688 HG3 ARG 684 1HG ARG 684 -12.854 18.866 -11.052 689 HD2 ARG 684 2HD ARG 684 -10.850 17.945 -10.059 690 HD3 ARG 684 1HD ARG 684 -10.285 17.353 -11.616 691 HE ARG 684 HE ARG 684 -10.671 20.078 -11.822 692 HH12 ARG 684 1HH ARG 684 -7.232 18.930 -9.989 693 HH21 ARG 684 2HH ARG 684 -7.379 21.052 -11.057 694 H THR 685 H THR 685 -10.816 13.766 -12.728 695 HA THR 685 HA THR 685 -12.800 11.759 -12.000 696 HB THR 685 HB THR 685 -10.010 11.478 -13.139 697 HG1 THR 685 1HG THR 685 -11.577 10.944 -15.040 698 HG21 THR 685 2HG THR 685 -10.775 9.245 -13.781 699 HA PRO 686 HA PRO 686 -10.785 11.813 -7.942 700 HB2 PRO 686 2HB PRO 686 -11.718 9.447 -7.004 701 HB3 PRO 686 1HB PRO 686 -12.647 10.934 -7.042 702 HG2 PRO 686 2HG PRO 686 -12.687 8.664 -9.002 703 HG3 PRO 686 1HG PRO 686 -14.057 9.543 -8.293 704 HD2 PRO 686 2HD PRO 686 -13.195 10.093 -10.759 705 HD3 PRO 686 1HD PRO 686 -13.740 11.386 -9.666 706 H ARG 687 H ARG 687 -8.842 11.159 -7.143 707 HA ARG 687 HA ARG 687 -7.480 8.927 -8.458 708 HB2 ARG 687 2HB ARG 687 -6.455 10.938 -6.450 709 HB3 ARG 687 1HB ARG 687 -5.477 9.708 -7.202 710 HG2 ARG 687 2HG ARG 687 -5.916 10.838 -9.398 711 HG3 ARG 687 1HG ARG 687 -6.726 12.122 -8.488 712 HD2 ARG 687 2HD ARG 687 -4.635 12.364 -7.131 713 HD3 ARG 687 1HD ARG 687 -3.856 11.249 -8.243 714 HE ARG 687 HE ARG 687 -4.972 13.844 -9.041 715 HH12 ARG 687 1HH ARG 687 -1.451 12.320 -10.343 716 HH21 ARG 687 2HH ARG 687 -2.040 14.526 -10.877 717 H ALA 688 H ALA 688 -7.578 7.025 -7.475 718 HA ALA 688 HA ALA 688 -7.885 7.009 -4.554 719 HB1 ALA 688 1HB ALA 688 -9.328 5.206 -6.508 720 HB2 ALA 688 2HB ALA 688 -10.059 6.507 -5.568 721 HB3 ALA 688 3HB ALA 688 -9.400 5.088 -4.750 722 H THR 689 H THR 689 -7.148 5.009 -3.599 723 HA THR 689 HA THR 689 -5.000 3.786 -5.178 724 HB THR 689 HB THR 689 -5.149 4.277 -2.193 725 HG1 THR 689 1HG THR 689 -4.716 6.113 -3.433 726 HG21 THR 689 2HG THR 689 -2.917 3.085 -3.852 727 H LEU 690 H LEU 690 -4.950 1.607 -5.368 728 HA LEU 690 HA LEU 690 -6.738 0.027 -3.689 729 HB2 LEU 690 2HB LEU 690 -7.470 0.341 -6.117 730 HB3 LEU 690 1HB LEU 690 -5.999 -0.468 -6.592 731 HG LEU 690 HG LEU 690 -7.910 -1.951 -6.778 732 HD13 LEU 690 1HD LEU 690 -7.197 -3.853 -5.464 733 HD21 LEU 690 2HD LEU 690 -9.206 -2.650 -4.843 734 H ILE 691 H ILE 691 -5.447 -1.134 -2.463 735 HA ILE 691 HA ILE 691 -2.770 -1.808 -3.462 736 HB ILE 691 HB ILE 691 -3.836 -2.016 -0.620 737 HG12 ILE 691 1HG ILE 691 -1.980 0.051 -1.818 738 HG23 ILE 691 2HG ILE 691 -1.019 -2.225 -1.724 739 HD11 ILE 691 1HD ILE 691 -1.541 -0.315 0.548 740 H THR 692 H THR 692 -2.461 -3.815 -4.166 741 HA THR 692 HA THR 692 -4.491 -5.828 -3.651 742 HB THR 692 HB THR 692 -2.196 -5.791 -5.551 743 HG1 THR 692 1HG THR 692 -3.979 -5.333 -7.110 744 HG21 THR 692 2HG THR 692 -3.123 -8.008 -5.162 745 H PHE 693 H PHE 693 -3.963 -7.300 -2.155 746 HA PHE 693 HA PHE 693 -1.190 -7.607 -1.299 747 HB2 PHE 693 2HB PHE 693 -3.799 -8.427 -0.170 748 HB3 PHE 693 1HB PHE 693 -2.258 -8.735 0.633 749 HD1 PHE 693 1HD PHE 693 -4.497 -5.983 -0.508 750 HD2 PHE 693 2HD PHE 693 -1.268 -7.059 2.027 751 HE1 PHE 693 1HE PHE 693 -4.671 -3.831 0.619 752 HE2 PHE 693 2HE PHE 693 -1.429 -4.896 3.151 753 HZ PHE 693 HZ PHE 693 -3.141 -3.278 2.443 754 H LEU 694 H LEU 694 -0.146 -9.382 -1.804 755 HA LEU 694 HA LEU 694 -1.654 -11.669 -2.886 756 HB2 LEU 694 2HB LEU 694 1.199 -10.842 -3.431 757 HB3 LEU 694 1HB LEU 694 0.448 -12.295 -4.027 758 HG LEU 694 HG LEU 694 0.608 -10.803 -5.779 759 HD13 LEU 694 1HD LEU 694 -1.432 -12.031 -5.809 760 HD21 LEU 694 2HD LEU 694 -0.759 -8.694 -4.112 761 H CYS 695 H CYS 695 -1.037 -13.677 -2.281 762 HA CYS 695 HA CYS 695 0.183 -14.004 0.295 763 HB2 CYS 695 2HB CYS 695 -1.570 -15.561 -0.313 764 HB3 CYS 695 1HB CYS 695 -0.726 -16.021 -1.782 765 H ASP 696 H ASP 696 2.312 -13.834 0.546 766 HA ASP 696 HA ASP 696 4.013 -14.923 -1.574 767 HB2 ASP 696 2HB ASP 696 4.168 -12.492 -1.361 768 HB3 ASP 696 1HB ASP 696 4.661 -12.664 0.324 769 H ARG 697 H ARG 697 5.761 -16.109 -0.943 770 HA ARG 697 HA ARG 697 5.350 -17.700 1.370 771 HB2 ARG 697 2HB ARG 697 7.132 -19.066 0.628 772 HB3 ARG 697 1HB ARG 697 6.365 -18.472 -0.827 773 HG2 ARG 697 2HG ARG 697 8.958 -17.466 0.363 774 HG3 ARG 697 1HG ARG 697 8.792 -18.509 -1.039 775 HD2 ARG 697 2HD ARG 697 7.660 -16.683 -2.236 776 HD3 ARG 697 1HD ARG 697 7.824 -15.654 -0.811 777 HE ARG 697 HE ARG 697 10.302 -16.743 -1.711 778 HH12 ARG 697 1HH ARG 697 9.252 -13.016 -2.869 779 HH21 ARG 697 2HH ARG 697 11.434 -13.765 -3.135 780 H ASP 698 H ASP 698 7.232 -14.789 0.887 781 HA ASP 698 HA ASP 698 9.023 -15.463 3.063 782 HB2 ASP 698 2HB ASP 698 9.861 -14.266 1.022 783 HB3 ASP 698 1HB ASP 698 8.856 -12.892 1.473 784 H ALA 699 H ALA 699 8.436 -15.147 5.035 785 HA ALA 699 HA ALA 699 6.091 -13.628 5.587 786 HB1 ALA 699 1HB ALA 699 6.273 -14.463 7.844 787 HB2 ALA 699 2HB ALA 699 7.888 -15.083 7.511 788 HB3 ALA 699 3HB ALA 699 6.491 -15.780 6.693 789 H GLY 700 H GLY 700 6.446 -11.472 5.295 790 HA2 GLY 700 2HA GLY 700 7.864 -10.286 7.463 791 HA3 GLY 700 1HA GLY 700 8.189 -9.768 5.794 792 H VAL 701 H VAL 701 7.223 -7.784 6.944 793 HA VAL 701 HA VAL 701 4.375 -7.867 7.075 794 HB VAL 701 HB VAL 701 5.899 -6.334 8.376 795 HG13 VAL 701 1HG VAL 701 6.067 -4.795 5.839 796 HG21 VAL 701 2HG VAL 701 4.343 -4.440 8.422 797 H GLY 702 H GLY 702 6.785 -7.332 4.776 798 HA2 GLY 702 2HA GLY 702 6.463 -7.584 2.482 799 HA3 GLY 702 1HA GLY 702 4.762 -7.228 2.707 800 H PHE 703 H PHE 703 6.911 -6.248 1.019 801 HA PHE 703 HA PHE 703 6.747 -3.349 1.493 802 HB2 PHE 703 2HB PHE 703 8.458 -4.917 -0.458 803 HB3 PHE 703 1HB PHE 703 8.431 -3.166 -0.347 804 HD1 PHE 703 1HD PHE 703 9.393 -6.277 1.378 805 HD2 PHE 703 2HD PHE 703 9.659 -2.032 1.327 806 HE1 PHE 703 1HE PHE 703 11.195 -6.372 3.046 807 HE2 PHE 703 2HE PHE 703 11.462 -2.121 2.995 808 HZ PHE 703 HZ PHE 703 12.235 -4.292 3.855 809 HA PRO 704 HA PRO 704 3.744 -3.273 -1.884 810 HB2 PRO 704 2HB PRO 704 3.248 -0.645 -1.853 811 HB3 PRO 704 1HB PRO 704 2.654 -1.705 -0.568 812 HG2 PRO 704 2HG PRO 704 5.045 0.096 -0.573 813 HG3 PRO 704 1HG PRO 704 3.835 -0.153 0.697 814 HD2 PRO 704 2HD PRO 704 6.281 -1.373 0.719 815 HD3 PRO 704 1HD PRO 704 4.830 -2.065 1.453 816 H GLU 705 H GLU 705 3.856 -2.796 -4.017 817 HA GLU 705 HA GLU 705 5.999 -1.021 -4.973 818 HB2 GLU 705 2HB GLU 705 6.688 -3.354 -5.250 819 HB3 GLU 705 1HB GLU 705 5.204 -3.698 -6.126 820 HG2 GLU 705 2HG GLU 705 7.054 -3.463 -7.626 821 HG3 GLU 705 1HG GLU 705 5.875 -2.180 -7.881 822 H TYR 706 H TYR 706 5.386 0.302 -6.628 823 HA TYR 706 HA TYR 706 2.560 0.511 -7.116 824 HB2 TYR 706 2HB TYR 706 3.814 2.553 -6.837 825 HB3 TYR 706 1HB TYR 706 4.904 2.148 -8.142 826 HD1 TYR 706 2HD TYR 706 1.190 2.479 -7.626 827 HD2 TYR 706 1HD TYR 706 4.551 3.295 -10.114 828 HE1 TYR 706 2HE TYR 706 -0.236 3.705 -9.128 829 HE2 TYR 706 1HE TYR 706 3.129 4.539 -11.632 830 HH TYR 706 HH TYR 706 -0.016 5.507 -10.832 831 H GLN 707 H GLN 707 1.489 -0.371 -8.714 832 HA GLN 707 HA GLN 707 3.035 -1.831 -10.649 833 HB2 GLN 707 2HB GLN 707 0.052 -1.713 -10.210 834 HB3 GLN 707 1HB GLN 707 0.857 -2.750 -11.382 835 HG2 GLN 707 2HG GLN 707 1.164 -2.847 -8.389 836 HG3 GLN 707 1HG GLN 707 0.321 -4.020 -9.406 837 HE21 GLN 707 2HE GLN 707 4.350 -4.073 -9.043 838 H GLU 708 H GLU 708 0.057 0.006 -11.151 839 HA GLU 708 HA GLU 708 1.199 2.028 -12.670 840 HB2 GLU 708 2HB GLU 708 0.413 1.342 -14.914 841 HB3 GLU 708 1HB GLU 708 1.685 0.295 -14.316 842 HG2 GLU 708 2HG GLU 708 -0.037 -1.359 -13.664 843 HG3 GLU 708 1HG GLU 708 -1.263 -0.313 -14.376 844 H GLU 709 H GLU 709 -0.292 3.586 -12.818 845 HA GLU 709 HA GLU 709 -3.017 2.931 -12.104 846 HB2 GLU 709 2HB GLU 709 -1.956 5.004 -11.272 847 HB3 GLU 709 1HB GLU 709 -1.782 5.595 -12.915 848 HG2 GLU 709 2HG GLU 709 -4.444 5.057 -11.589 849 HG3 GLU 709 1HG GLU 709 -3.633 6.611 -11.520 850 H ASP 710 H ASP 710 -4.507 2.459 -13.468 851 HA ASP 710 HA ASP 710 -4.352 3.264 -16.285 852 HB2 ASP 710 2HB ASP 710 -4.749 1.019 -17.111 853 HB3 ASP 710 1HB ASP 710 -3.342 0.961 -16.060 854 H ASN 711 H ASN 711 -6.116 2.075 -13.561 855 HA ASN 711 HA ASN 711 -8.693 2.389 -14.919 856 HB2 ASN 711 2HB ASN 711 -9.562 0.957 -13.142 857 HB3 ASN 711 1HB ASN 711 -8.205 0.205 -13.974 858 HD21 ASN 711 2HD ASN 711 -6.131 0.132 -11.115 859 H SER 712 H SER 712 -6.903 4.557 -13.564 860 HA SER 712 HA SER 712 -7.220 6.482 -12.569 861 HB2 SER 712 2HB SER 712 -10.122 5.669 -12.253 862 HB3 SER 712 1HB SER 712 -9.492 7.274 -11.875 863 HG SER 712 HG SER 712 -8.649 7.195 -14.069 864 H THR 713 H THR 713 -7.648 3.612 -11.087 865 HA THR 713 HA THR 713 -7.169 4.801 -8.489 866 HB THR 713 HB THR 713 -8.131 2.014 -9.215 867 HG1 THR 713 1HG THR 713 -9.445 4.372 -9.034 868 HG21 THR 713 2HG THR 713 -8.670 1.850 -6.829 869 H TYR 714 H TYR 714 -5.221 4.417 -7.659 870 HA TYR 714 HA TYR 714 -3.171 3.326 -9.360 871 HB2 TYR 714 2HB TYR 714 -3.039 4.510 -6.575 872 HB3 TYR 714 1HB TYR 714 -1.646 4.094 -7.559 873 HD1 TYR 714 1HD TYR 714 -4.674 6.255 -7.521 874 HD2 TYR 714 2HD TYR 714 -0.737 5.705 -9.024 875 HE1 TYR 714 1HE TYR 714 -4.749 8.485 -8.515 876 HE2 TYR 714 2HE TYR 714 -0.807 7.944 -10.018 877 HH TYR 714 HH TYR 714 -2.595 9.527 -10.793 878 H ASN 715 H ASN 715 -2.551 1.280 -9.284 879 HA ASN 715 HA ASN 715 -3.346 -0.325 -6.961 880 HB2 ASN 715 2HB ASN 715 -2.669 -0.960 -9.746 881 HB3 ASN 715 1HB ASN 715 -2.520 -2.252 -8.551 882 HD21 ASN 715 2HD ASN 715 -6.007 -2.744 -8.303 883 H PHE 716 H PHE 716 -2.049 -1.137 -5.650 884 HA PHE 716 HA PHE 716 0.812 -1.122 -6.232 885 HB2 PHE 716 2HB PHE 716 -0.582 -0.720 -3.579 886 HB3 PHE 716 1HB PHE 716 1.142 -0.998 -3.744 887 HD1 PHE 716 1HD PHE 716 -1.581 1.370 -4.524 888 HD2 PHE 716 2HD PHE 716 2.609 0.696 -4.414 889 HE1 PHE 716 1HE PHE 716 -1.184 3.776 -4.899 890 HE2 PHE 716 2HE PHE 716 3.009 3.089 -4.780 891 HZ PHE 716 HZ PHE 716 1.128 4.625 -5.027 892 H ARG 717 H ARG 717 1.962 -2.833 -5.635 893 HA ARG 717 HA ARG 717 0.484 -5.352 -5.336 894 HB2 ARG 717 2HB ARG 717 1.882 -5.037 -7.320 895 HB3 ARG 717 1HB ARG 717 3.258 -4.683 -6.298 896 HG2 ARG 717 2HG ARG 717 3.269 -6.877 -5.465 897 HG3 ARG 717 1HG ARG 717 1.823 -7.325 -6.412 898 HD2 ARG 717 2HD ARG 717 3.767 -8.106 -7.591 899 HD3 ARG 717 1HD ARG 717 3.156 -6.694 -8.454 900 HE ARG 717 HE ARG 717 5.185 -6.113 -6.500 901 HH12 ARG 717 1HH ARG 717 6.154 -6.433 -10.408 902 HH21 ARG 717 2HH ARG 717 7.704 -5.590 -8.875 903 H TRP 718 H TRP 718 0.550 -6.175 -3.300 904 HA TRP 718 HA TRP 718 2.888 -5.509 -1.644 905 HB2 TRP 718 2HB TRP 718 0.559 -4.502 -1.048 906 HB3 TRP 718 1HB TRP 718 0.135 -6.146 -0.625 907 HD1 TRP 718 HD TRP 718 2.191 -7.246 1.160 908 HE1 TRP 718 1HE TRP 718 2.973 -6.090 3.351 909 HE3 TRP 718 3HE TRP 718 0.721 -2.490 0.134 910 HZ2 TRP 718 2HZ TRP 718 2.945 -3.540 4.453 911 HZ3 TRP 718 3HZ TRP 718 1.122 -0.743 1.808 912 HH2 TRP 718 HH TRP 718 2.212 -1.259 3.920 913 H TYR 719 H TYR 719 4.053 -7.320 -1.296 914 HA TYR 719 HA TYR 719 2.707 -9.899 -1.373 915 HB2 TYR 719 2HB TYR 719 5.623 -9.141 -1.413 916 HB3 TYR 719 1HB TYR 719 5.103 -10.804 -1.268 917 HD1 TYR 719 2HD TYR 719 3.608 -11.718 -3.184 918 HD2 TYR 719 1HD TYR 719 5.897 -8.151 -3.495 919 HE1 TYR 719 2HE TYR 719 3.508 -11.873 -5.631 920 HE2 TYR 719 1HE TYR 719 5.794 -8.305 -5.942 921 HH TYR 719 HH TYR 719 3.680 -10.341 -7.562 922 H THR 720 H THR 720 1.828 -10.391 0.594 923 HA THR 720 HA THR 720 3.572 -10.115 2.892 924 HB THR 720 HB THR 720 2.175 -8.095 2.956 925 HG1 THR 720 1HG THR 720 2.429 -8.460 4.947 926 HG21 THR 720 2HG THR 720 0.201 -8.925 1.758 927 H SER 721 H SER 721 3.326 -11.547 4.465 928 HA SER 721 HA SER 721 2.181 -14.038 3.787 929 HB2 SER 721 2HB SER 721 4.240 -13.828 5.053 930 HB3 SER 721 1HB SER 721 3.387 -13.032 6.378 931 HG SER 721 HG SER 721 3.203 -15.692 5.458 932 H TYR 722 H TYR 722 0.958 -11.216 5.569 933 HA TYR 722 HA TYR 722 -0.875 -12.644 7.194 934 HB2 TYR 722 2HB TYR 722 -0.883 -9.703 6.486 935 HB3 TYR 722 1HB TYR 722 -1.768 -10.504 7.747 936 HD1 TYR 722 1HD TYR 722 -0.705 -11.301 9.785 937 HD2 TYR 722 2HD TYR 722 1.533 -9.301 6.781 938 HE1 TYR 722 1HE TYR 722 1.119 -10.962 11.383 939 HE2 TYR 722 2HE TYR 722 3.362 -8.955 8.360 940 HH TYR 722 HH TYR 722 3.560 -10.586 11.281 941 H ALA 723 H ALA 723 -0.940 -11.633 3.937 942 HA ALA 723 HA ALA 723 -3.852 -11.471 3.866 943 HB1 ALA 723 1HB ALA 723 -3.589 -10.836 1.536 944 HB2 ALA 723 2HB ALA 723 -1.864 -11.189 1.617 945 HB3 ALA 723 3HB ALA 723 -2.535 -9.857 2.562 946 H CYS 724 H CYS 724 -1.882 -13.909 4.091 947 HA CYS 724 HA CYS 724 -3.099 -15.448 1.928 948 HB2 CYS 724 2HB CYS 724 -0.628 -15.220 1.973 949 HB3 CYS 724 1HB CYS 724 -0.621 -16.074 3.509 950 HA PRO 725 HA PRO 725 -5.170 -17.631 5.306 951 HB2 PRO 725 2HB PRO 725 -6.346 -19.374 3.310 952 HB3 PRO 725 1HB PRO 725 -7.144 -18.125 4.263 953 HG2 PRO 725 2HG PRO 725 -6.748 -17.958 1.559 954 HG3 PRO 725 1HG PRO 725 -6.915 -16.552 2.619 955 HD2 PRO 725 2HD PRO 725 -4.440 -17.767 1.459 956 HD3 PRO 725 1HD PRO 725 -4.875 -16.062 1.724 Start of MODEL 18 1 H1 GLU 578 1HT GLU 578 -15.867 0.118 -1.462 2 H2 GLU 578 2HT GLU 578 -17.404 0.220 -2.200 3 H3 GLU 578 3HT GLU 578 -17.253 -0.314 -0.619 4 HA GLU 578 HA GLU 578 -16.546 1.789 0.180 5 HB2 GLU 578 2HB GLU 578 -16.965 2.701 -2.660 6 HB3 GLU 578 1HB GLU 578 -16.517 3.718 -1.305 7 HG2 GLU 578 2HG GLU 578 -14.371 2.624 -1.160 8 HG3 GLU 578 1HG GLU 578 -14.829 1.509 -2.452 9 H ALA 579 H ALA 579 -18.732 2.096 -2.605 10 HA ALA 579 HA ALA 579 -20.860 2.830 -0.809 11 HB1 ALA 579 1HB ALA 579 -20.779 2.551 -3.823 12 HB2 ALA 579 2HB ALA 579 -20.607 4.058 -2.923 13 HB3 ALA 579 3HB ALA 579 -22.136 3.186 -2.893 14 H GLU 580 H GLU 580 -20.308 0.465 -3.401 15 HA GLU 580 HA GLU 580 -22.195 -1.316 -2.084 16 HB2 GLU 580 2HB GLU 580 -20.984 -1.459 -4.846 17 HB3 GLU 580 1HB GLU 580 -22.157 -2.591 -4.192 18 HG2 GLU 580 2HG GLU 580 -22.582 0.325 -4.743 19 HG3 GLU 580 1HG GLU 580 -23.224 -1.022 -5.684 20 H ALA 581 H ALA 581 -21.627 -3.459 -1.794 21 HA ALA 581 HA ALA 581 -18.750 -4.046 -1.737 22 HB1 ALA 581 1HB ALA 581 -19.064 -5.242 0.378 23 HB2 ALA 581 2HB ALA 581 -20.770 -4.791 0.384 24 HB3 ALA 581 3HB ALA 581 -19.530 -3.549 0.542 25 H GLU 582 H GLU 582 -22.050 -5.223 -1.987 26 HA GLU 582 HA GLU 582 -21.274 -7.933 -2.506 27 HB2 GLU 582 2HB GLU 582 -23.940 -6.522 -2.678 28 HB3 GLU 582 1HB GLU 582 -23.706 -8.255 -2.823 29 HG2 GLU 582 2HG GLU 582 -22.877 -8.361 -0.539 30 HG3 GLU 582 1HG GLU 582 -23.059 -6.614 -0.385 31 H PHE 583 H PHE 583 -22.980 -8.711 -4.492 32 HA PHE 583 HA PHE 583 -23.426 -8.878 -6.682 33 HB2 PHE 583 2HB PHE 583 -22.438 -6.028 -6.897 34 HB3 PHE 583 1HB PHE 583 -23.146 -6.916 -8.237 35 HD1 PHE 583 1HD PHE 583 -25.540 -7.687 -8.034 36 HD2 PHE 583 2HD PHE 583 -23.775 -4.935 -5.309 37 HE1 PHE 583 1HE PHE 583 -27.776 -6.966 -7.320 38 HE2 PHE 583 2HE PHE 583 -26.010 -4.211 -4.591 39 HZ PHE 583 HZ PHE 583 -28.014 -5.227 -5.597 40 H LEU 584 H LEU 584 -20.502 -8.766 -5.438 41 HA LEU 584 HA LEU 584 -19.215 -9.923 -7.802 42 HB2 LEU 584 2HB LEU 584 -17.991 -7.733 -6.094 43 HB3 LEU 584 1HB LEU 584 -17.133 -8.641 -7.306 44 HG LEU 584 HG LEU 584 -19.417 -6.735 -7.860 45 HD13 LEU 584 1HD LEU 584 -17.682 -5.278 -8.782 46 HD21 LEU 584 2HD LEU 584 -17.530 -8.178 -9.730 47 H SER 585 H SER 585 -16.952 -10.804 -6.911 48 HA SER 585 HA SER 585 -17.476 -12.330 -4.502 49 HB2 SER 585 2HB SER 585 -15.072 -12.177 -6.332 50 HB3 SER 585 1HB SER 585 -15.308 -13.380 -5.064 51 HG SER 585 HG SER 585 -16.704 -14.384 -6.208 52 H ARG 586 H ARG 586 -17.433 -9.672 -4.092 53 HA ARG 586 HA ARG 586 -14.890 -8.887 -2.877 54 HB2 ARG 586 2HB ARG 586 -15.602 -7.369 -4.595 55 HB3 ARG 586 1HB ARG 586 -17.229 -7.315 -3.941 56 HG2 ARG 586 2HG ARG 586 -16.363 -6.169 -1.939 57 HG3 ARG 586 1HG ARG 586 -14.747 -6.180 -2.657 58 HD2 ARG 586 2HD ARG 586 -15.958 -4.038 -2.992 59 HD3 ARG 586 1HD ARG 586 -15.505 -4.828 -4.505 60 HE ARG 586 HE ARG 586 -18.087 -5.623 -3.710 61 HH12 ARG 586 1HH ARG 586 -17.763 -2.239 -5.913 62 HH21 ARG 586 2HH ARG 586 -19.792 -3.519 -5.953 63 H THR 587 H THR 587 -14.910 -8.946 -0.783 64 HA THR 587 HA THR 587 -17.455 -8.576 0.626 65 HB THR 587 HB THR 587 -15.060 -10.201 1.504 66 HG1 THR 587 1HG THR 587 -17.573 -11.090 0.470 67 HG21 THR 587 2HG THR 587 -16.709 -11.147 3.036 68 H GLU 588 H GLU 588 -17.408 -6.649 1.750 69 HA GLU 588 HA GLU 588 -14.760 -5.555 2.372 70 HB2 GLU 588 2HB GLU 588 -16.216 -4.160 0.909 71 HB3 GLU 588 1HB GLU 588 -17.420 -4.109 2.186 72 HG2 GLU 588 2HG GLU 588 -15.857 -2.907 3.623 73 HG3 GLU 588 1HG GLU 588 -14.628 -2.984 2.363 74 H GLY 589 H GLY 589 -14.140 -5.405 4.381 75 HA2 GLY 589 2HA GLY 589 -15.976 -6.423 6.411 76 HA3 GLY 589 1HA GLY 589 -14.232 -6.320 6.554 77 H ASP 590 H ASP 590 -13.625 -4.970 8.053 78 HA ASP 590 HA ASP 590 -15.244 -2.551 8.561 79 HB2 ASP 590 2HB ASP 590 -13.754 -4.207 10.622 80 HB3 ASP 590 1HB ASP 590 -14.698 -2.761 10.923 81 H ASN 591 H ASN 591 -13.509 -1.519 10.479 82 HA ASN 591 HA ASN 591 -11.519 -0.370 8.840 83 HB2 ASN 591 2HB ASN 591 -10.789 0.894 10.804 84 HB3 ASN 591 1HB ASN 591 -12.540 0.901 10.713 85 HD21 ASN 591 2HD ASN 591 -12.988 -0.728 13.789 86 H CYS 592 H CYS 592 -9.752 -1.299 8.194 87 HA CYS 592 HA CYS 592 -7.691 -2.183 8.183 88 HB2 CYS 592 2HB CYS 592 -7.919 -2.151 11.177 89 HB3 CYS 592 1HB CYS 592 -6.424 -2.376 10.260 90 H THR 593 H THR 593 -10.314 -3.898 9.191 91 HA THR 593 HA THR 593 -8.811 -6.394 9.074 92 HB THR 593 HB THR 593 -10.508 -7.284 10.752 93 HG1 THR 593 1HG THR 593 -10.883 -4.493 11.141 94 HG21 THR 593 2HG THR 593 -9.287 -6.440 12.712 95 H VAL 594 H VAL 594 -9.855 -7.976 7.938 96 HA VAL 594 HA VAL 594 -12.554 -7.379 7.083 97 HB VAL 594 HB VAL 594 -11.112 -6.796 5.206 98 HG13 VAL 594 1HG VAL 594 -10.118 -9.630 5.281 99 HG21 VAL 594 2HG VAL 594 -13.310 -7.692 4.704 100 H PHE 595 H PHE 595 -13.885 -8.919 7.653 101 HA PHE 595 HA PHE 595 -12.831 -11.615 7.488 102 HB2 PHE 595 2HB PHE 595 -13.510 -11.271 9.794 103 HB3 PHE 595 1HB PHE 595 -15.071 -10.618 9.286 104 HD1 PHE 595 2HD PHE 595 -13.124 -13.616 8.263 105 HD2 PHE 595 1HD PHE 595 -16.756 -12.104 9.875 106 HE1 PHE 595 2HE PHE 595 -14.045 -15.840 8.173 107 HE2 PHE 595 1HE PHE 595 -17.714 -14.372 9.809 108 HZ PHE 595 HZ PHE 595 -16.351 -16.247 8.959 109 H ASP 596 H ASP 596 -13.590 -12.821 5.952 110 HA ASP 596 HA ASP 596 -15.892 -11.713 4.595 111 HB2 ASP 596 2HB ASP 596 -15.061 -12.586 2.590 112 HB3 ASP 596 1HB ASP 596 -13.677 -11.824 3.386 113 H SER 597 H SER 597 -17.632 -12.856 4.287 114 HA SER 597 HA SER 597 -18.014 -15.211 5.744 115 HB2 SER 597 2HB SER 597 -20.260 -15.104 4.651 116 HB3 SER 597 1HB SER 597 -19.762 -13.665 5.545 117 HG SER 597 HG SER 597 -20.514 -12.928 3.608 118 H GLN 598 H GLN 598 -16.935 -14.662 2.452 119 HA GLN 598 HA GLN 598 -17.977 -17.132 1.468 120 HB2 GLN 598 2HB GLN 598 -16.551 -16.575 -0.516 121 HB3 GLN 598 1HB GLN 598 -17.865 -15.439 -0.178 122 HG2 GLN 598 2HG GLN 598 -16.308 -13.879 0.734 123 HG3 GLN 598 1HG GLN 598 -15.011 -15.063 0.690 124 HE21 GLN 598 2HE GLN 598 -14.852 -12.581 -2.091 125 H ALA 599 H ALA 599 -14.663 -15.973 2.324 126 HA ALA 599 HA ALA 599 -13.622 -18.624 1.814 127 HB1 ALA 599 1HB ALA 599 -11.452 -17.557 2.202 128 HB2 ALA 599 2HB ALA 599 -12.266 -16.238 3.004 129 HB3 ALA 599 3HB ALA 599 -12.446 -16.395 1.267 130 H GLY 600 H GLY 600 -14.780 -16.627 4.318 131 HA2 GLY 600 2HA GLY 600 -15.214 -17.072 6.512 132 HA3 GLY 600 1HA GLY 600 -14.643 -18.717 6.247 133 H PHE 601 H PHE 601 -12.729 -15.810 5.525 134 HA PHE 601 HA PHE 601 -11.096 -16.583 7.811 135 HB2 PHE 601 2HB PHE 601 -10.091 -15.926 5.050 136 HB3 PHE 601 1HB PHE 601 -9.058 -15.970 6.472 137 HD1 PHE 601 2HD PHE 601 -9.213 -18.235 7.833 138 HD2 PHE 601 1HD PHE 601 -10.222 -17.777 3.738 139 HE1 PHE 601 2HE PHE 601 -8.841 -20.644 7.483 140 HE2 PHE 601 1HE PHE 601 -9.866 -20.186 3.370 141 HZ PHE 601 HZ PHE 601 -9.174 -21.624 5.245 142 H SER 602 H SER 602 -10.393 -15.046 9.040 143 HA SER 602 HA SER 602 -11.138 -12.353 8.261 144 HB2 SER 602 2HB SER 602 -10.992 -11.890 10.713 145 HB3 SER 602 1HB SER 602 -12.156 -13.150 10.287 146 HG SER 602 HG SER 602 -9.733 -14.245 10.725 147 H PHE 603 H PHE 603 -9.653 -10.881 7.920 148 HA PHE 603 HA PHE 603 -6.884 -11.549 8.557 149 HB2 PHE 603 2HB PHE 603 -7.982 -10.459 5.970 150 HB3 PHE 603 1HB PHE 603 -6.282 -10.346 6.394 151 HD1 PHE 603 1HD PHE 603 -4.941 -12.386 6.626 152 HD2 PHE 603 2HD PHE 603 -8.964 -12.630 5.123 153 HE1 PHE 603 1HE PHE 603 -4.502 -14.614 5.709 154 HE2 PHE 603 2HE PHE 603 -8.476 -14.814 4.238 155 HZ PHE 603 HZ PHE 603 -6.267 -15.824 4.515 156 H ASP 604 H ASP 604 -5.943 -10.154 9.782 157 HA ASP 604 HA ASP 604 -6.840 -7.329 9.873 158 HB2 ASP 604 2HB ASP 604 -5.831 -7.211 12.092 159 HB3 ASP 604 1HB ASP 604 -6.991 -8.521 12.058 160 H LEU 605 H LEU 605 -5.722 -6.033 8.757 161 HA LEU 605 HA LEU 605 -2.900 -6.608 8.418 162 HB2 LEU 605 2HB LEU 605 -4.802 -4.918 6.789 163 HB3 LEU 605 1HB LEU 605 -3.070 -4.786 6.611 164 HG LEU 605 HG LEU 605 -4.034 -6.110 4.855 165 HD13 LEU 605 1HD LEU 605 -2.600 -8.103 5.016 166 HD21 LEU 605 2HD LEU 605 -4.901 -8.058 6.981 167 H THR 606 H THR 606 -4.524 -5.372 10.574 168 HA THR 606 HA THR 606 -4.165 -2.728 11.003 169 HB THR 606 HB THR 606 -4.163 -4.833 13.147 170 HG1 THR 606 1HG THR 606 -6.621 -4.314 12.427 171 HG21 THR 606 2HG THR 606 -4.223 -2.409 13.706 172 HA PRO 607 HA PRO 607 0.000 -3.912 13.475 173 HB2 PRO 607 2HB PRO 607 0.933 -6.265 11.941 174 HB3 PRO 607 1HB PRO 607 0.962 -5.992 13.687 175 HG2 PRO 607 2HG PRO 607 -0.736 -7.724 12.609 176 HG3 PRO 607 1HG PRO 607 -1.232 -6.686 13.959 177 HD2 PRO 607 2HD PRO 607 -1.798 -6.402 11.034 178 HD3 PRO 607 1HD PRO 607 -2.899 -6.179 12.404 179 H LEU 608 H LEU 608 -0.628 -4.285 10.154 180 HA LEU 608 HA LEU 608 2.009 -3.673 9.212 181 HB2 LEU 608 2HB LEU 608 -0.639 -4.031 7.865 182 HB3 LEU 608 1HB LEU 608 0.814 -3.594 6.956 183 HG LEU 608 HG LEU 608 0.424 -5.925 6.662 184 HD13 LEU 608 1HD LEU 608 2.718 -5.358 6.954 185 HD21 LEU 608 2HD LEU 608 0.202 -7.537 8.476 186 H THR 609 H THR 609 -0.598 -1.870 10.332 187 HA THR 609 HA THR 609 -0.251 0.502 8.770 188 HB THR 609 HB THR 609 -1.472 0.090 11.506 189 HG1 THR 609 1HG THR 609 -2.929 0.205 9.083 190 HG21 THR 609 2HG THR 609 -2.754 2.093 10.979 191 H LYS 610 H LYS 610 1.408 1.744 8.849 192 HA LYS 610 HA LYS 610 3.098 1.777 11.243 193 HB2 LYS 610 2HB LYS 610 3.679 2.437 8.394 194 HB3 LYS 610 1HB LYS 610 4.734 2.832 9.733 195 HG2 LYS 610 2HG LYS 610 5.013 0.466 10.225 196 HG3 LYS 610 1HG LYS 610 3.900 0.062 8.911 197 HD2 LYS 610 2HD LYS 610 6.236 -0.154 8.157 198 HD3 LYS 610 1HD LYS 610 5.393 1.122 7.294 199 HE2 LYS 610 2HE LYS 610 6.413 2.772 8.768 200 HE3 LYS 610 1HE LYS 610 7.308 1.482 9.594 201 HZ1 LYS 610 3HZ LYS 610 8.321 0.975 7.415 202 HZ2 LYS 610 1HZ LYS 610 8.704 2.526 7.935 203 HZ3 LYS 610 2HZ LYS 610 7.533 2.293 6.743 204 H LYS 611 H LYS 611 3.645 3.642 12.209 205 HA LYS 611 HA LYS 611 2.140 6.034 11.744 206 HB2 LYS 611 2HB LYS 611 4.497 5.390 13.502 207 HB3 LYS 611 1HB LYS 611 3.931 7.027 13.326 208 HG2 LYS 611 2HG LYS 611 3.167 6.041 15.379 209 HG3 LYS 611 1HG LYS 611 1.814 6.430 14.314 210 HD2 LYS 611 2HD LYS 611 2.949 3.641 14.519 211 HD3 LYS 611 1HD LYS 611 1.761 4.213 15.681 212 HE2 LYS 611 2HE LYS 611 0.163 4.601 13.876 213 HE3 LYS 611 1HE LYS 611 1.357 4.111 12.682 214 HZ1 LYS 611 3HZ LYS 611 -0.203 2.305 13.199 215 HZ2 LYS 611 1HZ LYS 611 0.208 2.369 14.805 216 HZ3 LYS 611 2HZ LYS 611 1.357 1.878 13.677 217 H ASP 612 H ASP 612 5.204 4.836 10.940 218 HA ASP 612 HA ASP 612 6.190 7.286 9.705 219 HB2 ASP 612 2HB ASP 612 7.329 4.483 9.457 220 HB3 ASP 612 1HB ASP 612 8.112 5.950 8.899 221 H ALA 613 H ALA 613 4.286 4.680 8.778 222 HA ALA 613 HA ALA 613 3.203 4.011 6.906 223 HB1 ALA 613 1HB ALA 613 2.612 6.386 6.699 224 HB2 ALA 613 2HB ALA 613 2.788 5.604 5.124 225 HB3 ALA 613 3HB ALA 613 4.065 6.655 5.736 226 H TYR 614 H TYR 614 3.552 3.933 4.307 227 HA TYR 614 HA TYR 614 6.260 2.864 3.914 228 HB2 TYR 614 2HB TYR 614 3.614 2.050 2.676 229 HB3 TYR 614 1HB TYR 614 5.179 1.448 2.146 230 HD1 TYR 614 2HD TYR 614 3.013 1.654 5.194 231 HD2 TYR 614 1HD TYR 614 6.034 -0.530 3.108 232 HE1 TYR 614 2HE TYR 614 2.881 -0.070 6.838 233 HE2 TYR 614 1HE TYR 614 5.911 -2.300 4.745 234 HH TYR 614 HH TYR 614 3.381 -2.442 7.070 235 H LYS 615 H LYS 615 7.404 3.610 2.185 236 HA LYS 615 HA LYS 615 5.983 5.389 0.331 237 HB2 LYS 615 2HB LYS 615 7.703 6.655 1.530 238 HB3 LYS 615 1HB LYS 615 8.958 5.555 1.103 239 HG2 LYS 615 2HG LYS 615 8.192 6.075 -1.312 240 HG3 LYS 615 1HG LYS 615 7.466 7.512 -0.604 241 HD2 LYS 615 2HD LYS 615 10.340 6.593 -0.432 242 HD3 LYS 615 1HD LYS 615 9.816 7.942 -1.445 243 HE2 LYS 615 2HE LYS 615 9.223 9.119 0.682 244 HE3 LYS 615 1HE LYS 615 9.902 7.755 1.574 245 HZ1 LYS 615 3HZ LYS 615 11.503 9.558 1.371 246 HZ2 LYS 615 1HZ LYS 615 11.380 9.534 -0.300 247 HZ3 LYS 615 2HZ LYS 615 12.052 8.216 0.509 248 H VAL 616 H VAL 616 5.882 4.756 -1.633 249 HA VAL 616 HA VAL 616 7.571 2.556 -2.630 250 HB VAL 616 HB VAL 616 5.172 3.852 -3.895 251 HG13 VAL 616 1HG VAL 616 6.590 2.676 -5.480 252 HG21 VAL 616 2HG VAL 616 3.834 1.919 -3.151 253 H GLU 617 H GLU 617 8.946 3.022 -4.333 254 HA GLU 617 HA GLU 617 9.015 5.851 -5.094 255 HB2 GLU 617 2HB GLU 617 11.349 4.010 -4.637 256 HB3 GLU 617 1HB GLU 617 11.469 5.642 -5.281 257 HG2 GLU 617 2HG GLU 617 10.531 6.529 -3.218 258 HG3 GLU 617 1HG GLU 617 10.393 4.893 -2.578 259 H THR 618 H THR 618 9.388 6.422 -7.160 260 HA THR 618 HA THR 618 9.802 4.279 -9.085 261 HB THR 618 HB THR 618 8.389 5.598 -10.673 262 HG1 THR 618 1HG THR 618 7.933 7.214 -8.395 263 HG21 THR 618 2HG THR 618 7.285 3.853 -9.300 264 H ASP 619 H ASP 619 10.182 6.229 -11.227 265 HA ASP 619 HA ASP 619 12.854 6.900 -10.561 266 HB2 ASP 619 2HB ASP 619 12.197 6.340 -12.899 267 HB3 ASP 619 1HB ASP 619 11.280 7.851 -12.953 268 H LYS 620 H LYS 620 9.942 8.870 -11.042 269 HA LYS 620 HA LYS 620 11.432 11.005 -9.682 270 HB2 LYS 620 2HB LYS 620 9.443 11.397 -11.888 271 HB3 LYS 620 1HB LYS 620 10.210 12.694 -10.999 272 HG2 LYS 620 2HG LYS 620 12.401 11.873 -11.857 273 HG3 LYS 620 1HG LYS 620 11.517 10.714 -12.849 274 HD2 LYS 620 2HD LYS 620 11.305 13.727 -12.987 275 HD3 LYS 620 1HD LYS 620 12.094 12.647 -14.149 276 HE2 LYS 620 2HE LYS 620 9.972 11.653 -14.728 277 HE3 LYS 620 1HE LYS 620 9.147 12.602 -13.487 278 HZ1 LYS 620 3HZ LYS 620 10.512 13.673 -15.886 279 HZ2 LYS 620 1HZ LYS 620 9.742 14.607 -14.717 280 HZ3 LYS 620 2HZ LYS 620 8.852 13.551 -15.677 281 H TYR 621 H TYR 621 8.876 9.026 -9.276 282 HA TYR 621 HA TYR 621 7.616 11.042 -7.585 283 HB2 TYR 621 2HB TYR 621 6.214 8.920 -9.241 284 HB3 TYR 621 1HB TYR 621 5.419 9.894 -8.007 285 HD1 TYR 621 1HD TYR 621 7.250 10.123 -11.234 286 HD2 TYR 621 2HD TYR 621 4.618 12.052 -8.524 287 HE1 TYR 621 1HE TYR 621 6.889 11.899 -12.881 288 HE2 TYR 621 2HE TYR 621 4.237 13.844 -10.172 289 HH TYR 621 HH TYR 621 5.394 14.831 -12.069 290 H GLU 622 H GLU 622 6.680 10.272 -5.667 291 HA GLU 622 HA GLU 622 7.419 7.578 -4.934 292 HB2 GLU 622 2HB GLU 622 8.193 8.345 -2.750 293 HB3 GLU 622 1HB GLU 622 9.152 9.101 -4.014 294 HG2 GLU 622 2HG GLU 622 7.656 11.099 -3.800 295 HG3 GLU 622 1HG GLU 622 6.910 10.289 -2.466 296 H PHE 623 H PHE 623 5.928 6.653 -3.716 297 HA PHE 623 HA PHE 623 3.533 8.259 -3.356 298 HB2 PHE 623 2HB PHE 623 3.719 5.271 -3.862 299 HB3 PHE 623 1HB PHE 623 2.233 6.166 -3.637 300 HD1 PHE 623 1HD PHE 623 5.208 5.948 -5.885 301 HD2 PHE 623 2HD PHE 623 1.092 7.011 -5.536 302 HE1 PHE 623 1HE PHE 623 5.079 6.298 -8.311 303 HE2 PHE 623 2HE PHE 623 0.982 7.365 -7.944 304 HZ PHE 623 HZ PHE 623 2.973 7.006 -9.344 305 H HIS 624 H HIS 624 2.930 8.459 -1.253 306 HA HIS 624 HA HIS 624 4.002 6.535 0.685 307 HB2 HIS 624 2HB HIS 624 2.929 9.329 1.075 308 HB3 HIS 624 1HB HIS 624 3.340 8.237 2.388 309 HD1 HIS 624 1HD HIS 624 5.787 7.881 2.902 310 HD2 HIS 624 2HD HIS 624 5.107 10.410 -0.314 311 HE1 HIS 624 1HE HIS 624 7.951 8.862 2.416 312 HE2 HIS 624 2HE HIS 624 7.594 10.277 0.312 313 H ILE 625 H ILE 625 2.675 5.156 1.529 314 HA ILE 625 HA ILE 625 -0.152 5.800 1.657 315 HB ILE 625 HB ILE 625 -0.814 3.630 0.801 316 HG12 ILE 625 1HG ILE 625 2.131 3.110 0.466 317 HG23 ILE 625 2HG ILE 625 -0.198 3.811 -1.581 318 HD11 ILE 625 1HD ILE 625 0.872 2.145 -1.475 319 H ASN 626 H ASN 626 -1.168 4.568 3.199 320 HA ASN 626 HA ASN 626 0.571 2.976 4.956 321 HB2 ASN 626 2HB ASN 626 0.187 5.239 5.936 322 HB3 ASN 626 1HB ASN 626 -1.546 4.940 5.880 323 HD21 ASN 626 2HD ASN 626 -1.209 3.988 9.201 324 H VAL 627 H VAL 627 -0.613 1.354 6.143 325 HA VAL 627 HA VAL 627 -2.816 0.272 4.600 326 HB VAL 627 HB VAL 627 -1.575 -0.767 7.161 327 HG13 VAL 627 1HG VAL 627 -2.657 -2.872 6.570 328 HG21 VAL 627 2HG VAL 627 0.067 -0.700 5.374 329 H CYS 628 H CYS 628 -4.622 1.125 4.858 330 HA CYS 628 HA CYS 628 -6.523 1.850 5.582 331 HB2 CYS 628 2HB CYS 628 -7.521 0.994 7.651 332 HB3 CYS 628 1HB CYS 628 -6.719 -0.290 6.768 333 H GLY 629 H GLY 629 -7.527 3.475 6.508 334 HA2 GLY 629 2HA GLY 629 -7.813 5.384 7.867 335 HA3 GLY 629 1HA GLY 629 -6.290 4.994 8.652 336 HA PRO 630 HA PRO 630 -4.987 8.225 5.893 337 HB2 PRO 630 2HB PRO 630 -3.756 9.560 7.962 338 HB3 PRO 630 1HB PRO 630 -5.383 9.836 7.335 339 HG2 PRO 630 2HG PRO 630 -4.723 8.766 9.946 340 HG3 PRO 630 1HG PRO 630 -6.339 8.918 9.219 341 HD2 PRO 630 2HD PRO 630 -4.441 6.668 9.368 342 HD3 PRO 630 1HD PRO 630 -6.225 6.704 9.417 343 H VAL 631 H VAL 631 -2.803 9.080 5.527 344 HA VAL 631 HA VAL 631 -0.752 7.184 6.349 345 HB VAL 631 HB VAL 631 -0.921 7.469 3.897 346 HG13 VAL 631 1HG VAL 631 -1.859 9.618 3.754 347 HG21 VAL 631 2HG VAL 631 1.559 8.727 5.013 348 H SER 632 H SER 632 0.772 7.814 7.665 349 HA SER 632 HA SER 632 0.650 10.566 8.507 350 HB2 SER 632 2HB SER 632 0.278 8.930 10.297 351 HB3 SER 632 1HB SER 632 1.797 8.135 9.921 352 HG SER 632 HG SER 632 2.782 9.513 11.020 353 H VAL 633 H VAL 633 1.742 11.267 6.705 354 HA VAL 633 HA VAL 633 4.601 10.882 7.036 355 HB VAL 633 HB VAL 633 3.931 9.685 5.006 356 HG13 VAL 633 1HG VAL 633 2.915 12.278 3.952 357 HG21 VAL 633 2HG VAL 633 5.527 12.152 4.402 358 H GLY 634 H GLY 634 5.918 12.700 6.921 359 HA2 GLY 634 2HA GLY 634 4.597 15.230 7.281 360 HA3 GLY 634 1HA GLY 634 6.330 14.924 7.354 361 H ALA 635 H ALA 635 3.947 14.433 4.906 362 HA ALA 635 HA ALA 635 5.273 16.331 3.125 363 HB1 ALA 635 1HB ALA 635 6.246 14.157 2.548 364 HB2 ALA 635 2HB ALA 635 5.190 14.742 1.256 365 HB3 ALA 635 3HB ALA 635 4.624 13.484 2.350 366 H CYS 636 H CYS 636 2.526 14.155 3.769 367 HA CYS 636 HA CYS 636 0.869 16.089 2.327 368 HB2 CYS 636 2HB CYS 636 1.391 13.924 1.095 369 HB3 CYS 636 1HB CYS 636 0.478 13.102 2.351 370 HA PRO 637 HA PRO 637 -1.435 16.359 6.091 371 HB2 PRO 637 2HB PRO 637 -3.994 16.626 5.075 372 HB3 PRO 637 1HB PRO 637 -2.818 17.935 5.218 373 HG2 PRO 637 2HG PRO 637 -3.495 16.235 2.852 374 HG3 PRO 637 1HG PRO 637 -3.195 17.981 2.926 375 HD2 PRO 637 2HD PRO 637 -1.342 16.297 2.043 376 HD3 PRO 637 1HD PRO 637 -0.896 17.704 3.037 377 HA PRO 638 HA PRO 638 -2.901 12.333 7.294 378 HB2 PRO 638 2HB PRO 638 -4.628 13.759 9.214 379 HB3 PRO 638 1HB PRO 638 -3.390 12.538 9.506 380 HG2 PRO 638 2HG PRO 638 -2.936 15.081 10.090 381 HG3 PRO 638 1HG PRO 638 -1.660 14.063 9.393 382 HD2 PRO 638 2HD PRO 638 -3.361 16.144 8.080 383 HD3 PRO 638 1HD PRO 638 -1.630 15.798 7.893 384 H ASP 639 H ASP 639 -5.128 14.671 6.092 385 HA ASP 639 HA ASP 639 -7.397 12.957 6.351 386 HB2 ASP 639 2HB ASP 639 -8.539 14.350 4.647 387 HB3 ASP 639 1HB ASP 639 -7.911 15.303 5.990 388 H SER 640 H SER 640 -4.701 12.828 4.372 389 HA SER 640 HA SER 640 -6.086 11.172 2.442 390 HB2 SER 640 2HB SER 640 -4.592 12.942 1.574 391 HB3 SER 640 1HB SER 640 -3.242 12.204 2.439 392 HG SER 640 HG SER 640 -4.670 11.268 0.205 393 H GLY 641 H GLY 641 -5.528 9.032 2.139 394 HA2 GLY 641 2HA GLY 641 -3.941 7.777 4.284 395 HA3 GLY 641 1HA GLY 641 -5.185 6.951 3.351 396 H ALA 642 H ALA 642 -4.140 8.302 0.901 397 HA ALA 642 HA ALA 642 -1.481 7.153 0.593 398 HB1 ALA 642 1HB ALA 642 -2.920 5.379 -0.229 399 HB2 ALA 642 2HB ALA 642 -2.212 6.214 -1.604 400 HB3 ALA 642 3HB ALA 642 -3.881 6.547 -1.158 401 H CYS 643 H CYS 643 -0.298 8.665 -0.230 402 HA CYS 643 HA CYS 643 -1.496 10.645 -1.981 403 HB2 CYS 643 2HB CYS 643 -1.693 11.456 0.349 404 HB3 CYS 643 1HB CYS 643 0.053 11.339 0.508 405 H GLN 644 H GLN 644 -0.098 11.330 -3.524 406 HA GLN 644 HA GLN 644 2.607 10.215 -3.357 407 HB2 GLN 644 2HB GLN 644 2.752 10.745 -5.665 408 HB3 GLN 644 1HB GLN 644 1.685 9.334 -5.364 409 HG2 GLN 644 2HG GLN 644 -0.198 10.824 -5.804 410 HG3 GLN 644 1HG GLN 644 0.890 12.196 -5.945 411 HE21 GLN 644 2HE GLN 644 0.428 9.660 -9.041 412 H VAL 645 H VAL 645 4.343 11.393 -3.886 413 HA VAL 645 HA VAL 645 3.946 14.183 -4.439 414 HB VAL 645 HB VAL 645 4.327 14.265 -2.057 415 HG13 VAL 645 1HG VAL 645 6.720 12.504 -2.461 416 HG21 VAL 645 2HG VAL 645 6.476 15.449 -1.859 417 H SER 646 H SER 646 5.254 14.975 -5.902 418 HA SER 646 HA SER 646 6.923 13.117 -7.285 419 HB2 SER 646 2HB SER 646 7.341 15.036 -8.836 420 HB3 SER 646 1HB SER 646 5.637 14.661 -8.632 421 HG SER 646 HG SER 646 5.704 16.769 -8.427 422 H ARG 647 H ARG 647 8.936 12.751 -6.802 423 HA ARG 647 HA ARG 647 10.304 14.357 -4.873 424 HB2 ARG 647 2HB ARG 647 12.163 12.819 -5.100 425 HB3 ARG 647 1HB ARG 647 10.674 11.900 -5.087 426 HG2 ARG 647 2HG ARG 647 10.821 11.826 -7.589 427 HG3 ARG 647 1HG ARG 647 12.440 12.513 -7.428 428 HD2 ARG 647 2HD ARG 647 11.464 9.912 -6.263 429 HD3 ARG 647 1HD ARG 647 12.558 10.118 -7.623 430 HE ARG 647 HE ARG 647 13.926 11.368 -5.779 431 HH12 ARG 647 1HH ARG 647 13.151 7.657 -4.298 432 HH21 ARG 647 2HH ARG 647 15.038 8.880 -3.540 433 H SER 648 H SER 648 9.878 14.475 -8.179 434 HA SER 648 HA SER 648 12.256 15.895 -8.898 435 HB2 SER 648 2HB SER 648 10.978 14.426 -10.478 436 HB3 SER 648 1HB SER 648 9.633 15.534 -10.353 437 HG SER 648 HG SER 648 12.192 16.332 -11.219 438 H ASP 649 H ASP 649 8.767 16.863 -8.469 439 HA ASP 649 HA ASP 649 9.678 19.661 -8.664 440 HB2 ASP 649 2HB ASP 649 7.964 18.823 -10.313 441 HB3 ASP 649 1HB ASP 649 6.841 18.675 -8.968 442 H ARG 650 H ARG 650 8.366 17.433 -6.561 443 HA ARG 650 HA ARG 650 7.712 17.390 -4.447 444 HB2 ARG 650 2HB ARG 650 8.951 20.134 -4.295 445 HB3 ARG 650 1HB ARG 650 8.231 19.352 -2.891 446 HG2 ARG 650 2HG ARG 650 10.510 18.267 -4.538 447 HG3 ARG 650 1HG ARG 650 10.643 19.023 -2.945 448 HD2 ARG 650 2HD ARG 650 9.305 17.250 -1.956 449 HD3 ARG 650 1HD ARG 650 9.039 16.512 -3.524 450 HE ARG 650 HE ARG 650 11.789 16.771 -2.850 451 HH12 ARG 650 1HH ARG 650 9.803 13.280 -2.260 452 HH21 ARG 650 2HH ARG 650 12.189 13.366 -2.232 453 H LYS 651 H LYS 651 5.945 17.688 -6.190 454 HA LYS 651 HA LYS 651 3.782 19.324 -5.038 455 HB2 LYS 651 2HB LYS 651 4.155 17.720 -7.542 456 HB3 LYS 651 1HB LYS 651 2.592 18.329 -7.036 457 HG2 LYS 651 2HG LYS 651 4.980 20.027 -7.485 458 HG3 LYS 651 1HG LYS 651 3.839 19.620 -8.766 459 HD2 LYS 651 2HD LYS 651 2.048 20.439 -7.333 460 HD3 LYS 651 1HD LYS 651 3.257 21.014 -6.172 461 HE2 LYS 651 2HE LYS 651 4.233 22.371 -8.000 462 HE3 LYS 651 1HE LYS 651 2.881 21.802 -9.007 463 HZ1 LYS 651 3HZ LYS 651 2.544 23.336 -6.499 464 HZ2 LYS 651 1HZ LYS 651 1.331 22.869 -7.578 465 HZ3 LYS 651 2HZ LYS 651 2.470 24.028 -8.042 466 H SER 652 H SER 652 1.986 18.190 -4.078 467 HA SER 652 HA SER 652 2.219 15.293 -4.272 468 HB2 SER 652 2HB SER 652 1.190 16.606 -1.731 469 HB3 SER 652 1HB SER 652 1.638 14.925 -2.141 470 HG SER 652 HG SER 652 3.711 16.123 -2.698 471 H TRP 653 H TRP 653 0.362 14.157 -4.365 472 HA TRP 653 HA TRP 653 -2.087 15.696 -4.827 473 HB2 TRP 653 2HB TRP 653 -1.022 13.433 -6.534 474 HB3 TRP 653 1HB TRP 653 -2.580 14.208 -6.761 475 HD1 TRP 653 HD TRP 653 -2.520 16.766 -7.762 476 HE1 TRP 653 1HE TRP 653 -0.689 17.995 -9.168 477 HE3 TRP 653 3HE TRP 653 1.474 13.686 -6.914 478 HZ2 TRP 653 2HZ TRP 653 1.965 17.692 -9.813 479 HZ3 TRP 653 3HZ TRP 653 3.600 14.214 -7.937 480 HH2 TRP 653 HH TRP 653 3.843 16.234 -9.387 481 H ASN 654 H ASN 654 -3.991 14.533 -4.332 482 HA ASN 654 HA ASN 654 -3.534 12.559 -2.217 483 HB2 ASN 654 2HB ASN 654 -5.121 14.702 -2.048 484 HB3 ASN 654 1HB ASN 654 -6.116 13.772 -3.093 485 HD21 ASN 654 2HD ASN 654 -7.046 13.309 0.488 486 H LEU 655 H LEU 655 -3.944 10.453 -2.588 487 HA LEU 655 HA LEU 655 -5.211 9.742 -5.132 488 HB2 LEU 655 2HB LEU 655 -3.364 8.135 -3.387 489 HB3 LEU 655 1HB LEU 655 -3.939 7.700 -4.978 490 HG LEU 655 HG LEU 655 -2.018 9.912 -4.297 491 HD13 LEU 655 1HD LEU 655 -1.043 7.712 -4.190 492 HD21 LEU 655 2HD LEU 655 -3.178 9.101 -6.951 493 H GLY 656 H GLY 656 -6.075 10.136 -2.080 494 HA2 GLY 656 2HA GLY 656 -8.410 8.948 -2.028 495 HA3 GLY 656 1HA GLY 656 -7.398 7.570 -1.652 496 H ARG 657 H ARG 657 -9.326 9.624 -0.269 497 HA ARG 657 HA ARG 657 -7.708 10.641 1.802 498 HB2 ARG 657 2HB ARG 657 -9.721 11.565 2.677 499 HB3 ARG 657 1HB ARG 657 -9.769 11.681 0.928 500 HG2 ARG 657 2HG ARG 657 -11.914 10.929 1.229 501 HG3 ARG 657 1HG ARG 657 -11.013 9.401 1.226 502 HD2 ARG 657 2HD ARG 657 -12.600 9.440 3.055 503 HD3 ARG 657 1HD ARG 657 -10.932 9.376 3.627 504 HE ARG 657 HE ARG 657 -11.839 12.038 3.440 505 HH12 ARG 657 1HH ARG 657 -12.470 10.011 6.884 506 HH21 ARG 657 2HH ARG 657 -12.770 12.378 6.796 507 H SER 658 H SER 658 -8.397 10.139 4.137 508 HA SER 658 HA SER 658 -7.541 7.579 4.693 509 HB2 SER 658 2HB SER 658 -8.292 8.107 7.036 510 HB3 SER 658 1HB SER 658 -7.183 9.270 6.299 511 HG SER 658 HG SER 658 -8.659 10.683 6.765 512 H ASN 659 H ASN 659 -8.407 5.691 4.773 513 HA ASN 659 HA ASN 659 -11.188 5.211 5.388 514 HB2 ASN 659 2HB ASN 659 -11.234 5.662 2.979 515 HB3 ASN 659 1HB ASN 659 -9.947 4.473 2.753 516 HD21 ASN 659 2HD ASN 659 -12.498 2.330 1.926 517 H ALA 660 H ALA 660 -11.450 3.022 6.050 518 HA ALA 660 HA ALA 660 -8.892 1.591 6.231 519 HB1 ALA 660 1HB ALA 660 -9.430 0.927 8.519 520 HB2 ALA 660 2HB ALA 660 -10.920 1.861 8.442 521 HB3 ALA 660 3HB ALA 660 -9.360 2.681 8.364 522 H LYS 661 H LYS 661 -11.605 1.391 4.693 523 HA LYS 661 HA LYS 661 -12.624 -1.140 5.582 524 HB2 LYS 661 2HB LYS 661 -13.191 0.249 2.963 525 HB3 LYS 661 1HB LYS 661 -14.115 -1.031 3.730 526 HG2 LYS 661 2HG LYS 661 -13.845 1.776 4.705 527 HG3 LYS 661 1HG LYS 661 -15.255 1.039 3.948 528 HD2 LYS 661 2HD LYS 661 -15.227 -0.628 5.869 529 HD3 LYS 661 1HD LYS 661 -14.005 0.454 6.581 530 HE2 LYS 661 2HE LYS 661 -16.737 1.269 5.724 531 HE3 LYS 661 1HE LYS 661 -16.271 0.913 7.397 532 HZ1 LYS 661 3HZ LYS 661 -16.230 3.315 6.885 533 HZ2 LYS 661 1HZ LYS 661 -15.035 3.070 5.727 534 HZ3 LYS 661 2HZ LYS 661 -14.738 2.721 7.349 535 H LEU 662 H LEU 662 -11.623 -2.973 5.173 536 HA LEU 662 HA LEU 662 -9.950 -3.234 2.806 537 HB2 LEU 662 2HB LEU 662 -10.462 -5.028 5.139 538 HB3 LEU 662 1HB LEU 662 -9.477 -5.532 3.771 539 HG LEU 662 HG LEU 662 -8.887 -3.342 5.776 540 HD13 LEU 662 1HD LEU 662 -8.640 -5.613 6.610 541 HD21 LEU 662 2HD LEU 662 -8.036 -2.766 3.550 542 H SER 663 H SER 663 -10.430 -4.524 1.127 543 HA SER 663 HA SER 663 -13.094 -5.742 1.097 544 HB2 SER 663 2HB SER 663 -11.464 -4.638 -1.209 545 HB3 SER 663 1HB SER 663 -13.113 -5.263 -1.294 546 HG SER 663 HG SER 663 -12.737 -3.341 0.597 547 H TYR 664 H TYR 664 -13.168 -7.843 0.430 548 HA TYR 664 HA TYR 664 -10.566 -9.167 0.038 549 HB2 TYR 664 2HB TYR 664 -11.986 -9.660 2.105 550 HB3 TYR 664 1HB TYR 664 -13.154 -10.359 1.003 551 HD1 TYR 664 2HD TYR 664 -11.570 -12.057 -0.781 552 HD2 TYR 664 1HD TYR 664 -11.042 -11.257 3.342 553 HE1 TYR 664 2HE TYR 664 -10.442 -14.213 -0.537 554 HE2 TYR 664 1HE TYR 664 -9.895 -13.438 3.607 555 HH TYR 664 HH TYR 664 -9.902 -15.560 2.468 556 H TYR 665 H TYR 665 -10.284 -10.049 -1.881 557 HA TYR 665 HA TYR 665 -12.575 -10.852 -3.482 558 HB2 TYR 665 2HB TYR 665 -9.824 -9.885 -4.277 559 HB3 TYR 665 1HB TYR 665 -10.943 -10.667 -5.393 560 HD1 TYR 665 1HD TYR 665 -13.027 -9.638 -5.980 561 HD2 TYR 665 2HD TYR 665 -10.208 -7.628 -3.543 562 HE1 TYR 665 1HE TYR 665 -14.197 -7.591 -6.374 563 HE2 TYR 665 2HE TYR 665 -11.385 -5.510 -3.916 564 HH TYR 665 HH TYR 665 -12.902 -4.513 -5.567 565 H ASP 666 H ASP 666 -12.370 -13.065 -4.228 566 HA ASP 666 HA ASP 666 -10.996 -14.789 -2.504 567 HB2 ASP 666 2HB ASP 666 -12.873 -15.518 -3.969 568 HB3 ASP 666 1HB ASP 666 -11.794 -15.419 -5.358 569 H GLY 667 H GLY 667 -8.928 -15.132 -2.251 570 HA2 GLY 667 2HA GLY 667 -6.848 -15.946 -3.173 571 HA3 GLY 667 1HA GLY 667 -7.189 -14.960 -4.589 572 H MET 668 H MET 668 -7.973 -12.537 -3.100 573 HA MET 668 HA MET 668 -5.648 -11.842 -1.592 574 HB2 MET 668 2HB MET 668 -4.819 -10.079 -3.023 575 HB3 MET 668 1HB MET 668 -4.639 -11.648 -3.785 576 HG2 MET 668 2HG MET 668 -6.804 -9.639 -4.436 577 HG3 MET 668 1HG MET 668 -5.314 -9.837 -5.351 578 HE1 MET 668 3HE MET 668 -8.227 -9.889 -6.651 579 HE2 MET 668 1HE MET 668 -8.053 -11.240 -7.775 580 HE3 MET 668 2HE MET 668 -6.736 -10.084 -7.571 581 H ILE 669 H ILE 669 -5.835 -10.042 -0.453 582 HA ILE 669 HA ILE 669 -8.472 -8.853 -0.385 583 HB ILE 669 HB ILE 669 -6.115 -8.621 1.540 584 HG12 ILE 669 1HG ILE 669 -7.719 -9.698 3.197 585 HG23 ILE 669 2HG ILE 669 -7.254 -6.506 1.557 586 HD11 ILE 669 1HD ILE 669 -7.063 -11.419 0.822 587 H GLN 670 H GLN 670 -8.842 -6.723 -0.828 588 HA GLN 670 HA GLN 670 -6.591 -5.118 -1.799 589 HB2 GLN 670 2HB GLN 670 -9.288 -5.536 -3.098 590 HB3 GLN 670 1HB GLN 670 -8.250 -4.177 -3.495 591 HG2 GLN 670 2HG GLN 670 -6.589 -5.599 -4.420 592 HG3 GLN 670 1HG GLN 670 -7.393 -7.074 -3.824 593 HE21 GLN 670 2HE GLN 670 -9.467 -5.125 -6.737 594 H LEU 671 H LEU 671 -6.736 -2.958 -1.342 595 HA LEU 671 HA LEU 671 -9.001 -2.164 0.390 596 HB2 LEU 671 2HB LEU 671 -6.667 -2.410 1.457 597 HB3 LEU 671 1HB LEU 671 -6.182 -1.041 0.488 598 HG LEU 671 HG LEU 671 -8.252 -1.020 2.707 599 HD13 LEU 671 1HD LEU 671 -6.009 -1.305 3.537 600 HD21 LEU 671 2HD LEU 671 -8.766 0.665 1.004 601 H THR 672 H THR 672 -10.117 -0.423 -0.338 602 HA THR 672 HA THR 672 -9.031 0.978 -2.688 603 HB THR 672 HB THR 672 -11.949 0.583 -1.972 604 HG1 THR 672 1HG THR 672 -10.150 -1.144 -2.875 605 HG21 THR 672 2HG THR 672 -10.545 1.348 -4.548 606 H TYR 673 H TYR 673 -8.602 3.066 -2.260 607 HA TYR 673 HA TYR 673 -9.929 4.339 0.008 608 HB2 TYR 673 2HB TYR 673 -7.548 5.061 -1.590 609 HB3 TYR 673 1HB TYR 673 -8.273 6.250 -0.489 610 HD1 TYR 673 1HD TYR 673 -8.376 5.617 1.943 611 HD2 TYR 673 2HD TYR 673 -5.985 3.461 -0.826 612 HE1 TYR 673 1HE TYR 673 -7.088 4.694 3.797 613 HE2 TYR 673 2HE TYR 673 -4.676 2.522 1.044 614 HH TYR 673 HH TYR 673 -4.164 3.124 3.501 615 H ARG 674 H ARG 674 -10.296 6.823 -0.390 616 HA ARG 674 HA ARG 674 -12.484 6.759 -2.270 617 HB2 ARG 674 2HB ARG 674 -11.691 8.857 -0.312 618 HB3 ARG 674 1HB ARG 674 -13.161 8.837 -1.247 619 HG2 ARG 674 2HG ARG 674 -12.386 6.675 0.646 620 HG3 ARG 674 1HG ARG 674 -13.463 8.007 1.102 621 HD2 ARG 674 2HD ARG 674 -13.961 5.978 -1.110 622 HD3 ARG 674 1HD ARG 674 -14.789 6.033 0.444 623 HE ARG 674 HE ARG 674 -15.559 8.295 -0.246 624 HH12 ARG 674 1HH ARG 674 -15.937 6.504 -3.846 625 HH21 ARG 674 2HH ARG 674 -17.144 8.451 -3.362 626 H ASP 675 H ASP 675 -13.037 9.036 -3.109 627 HA ASP 675 HA ASP 675 -11.707 9.453 -5.457 628 HB2 ASP 675 2HB ASP 675 -13.152 11.408 -5.675 629 HB3 ASP 675 1HB ASP 675 -14.025 10.063 -4.969 630 H GLY 676 H GLY 676 -11.337 11.238 -2.486 631 HA2 GLY 676 2HA GLY 676 -9.593 12.570 -1.641 632 HA3 GLY 676 1HA GLY 676 -8.568 11.738 -2.789 633 H THR 677 H THR 677 -7.856 12.823 -4.566 634 HA THR 677 HA THR 677 -8.921 15.480 -5.042 635 HB THR 677 HB THR 677 -6.022 14.684 -4.800 636 HG1 THR 677 1HG THR 677 -7.673 16.576 -3.514 637 HG21 THR 677 2HG THR 677 -6.251 16.108 -6.805 638 HA PRO 678 HA PRO 678 -9.050 13.678 -9.169 639 HB2 PRO 678 2HB PRO 678 -9.955 15.700 -10.558 640 HB3 PRO 678 1HB PRO 678 -11.007 14.880 -9.488 641 HG2 PRO 678 2HG PRO 678 -9.555 17.456 -8.955 642 HG3 PRO 678 1HG PRO 678 -11.228 17.025 -8.550 643 HD2 PRO 678 2HD PRO 678 -9.235 16.952 -6.708 644 HD3 PRO 678 1HD PRO 678 -10.611 15.823 -6.694 645 H TYR 679 H TYR 679 -8.037 13.716 -11.038 646 HA TYR 679 HA TYR 679 -5.391 14.705 -11.254 647 HB2 TYR 679 2HB TYR 679 -7.241 13.904 -13.530 648 HB3 TYR 679 1HB TYR 679 -5.502 14.050 -13.631 649 HD1 TYR 679 1HD TYR 679 -8.290 12.022 -12.435 650 HD2 TYR 679 2HD TYR 679 -4.076 12.236 -12.794 651 HE1 TYR 679 1HE TYR 679 -8.148 9.624 -11.962 652 HE2 TYR 679 2HE TYR 679 -3.924 9.818 -12.310 653 HH TYR 679 HH TYR 679 -5.222 8.089 -11.228 654 H ASN 680 H ASN 680 -4.760 16.114 -13.197 655 HA ASN 680 HA ASN 680 -6.302 18.608 -13.117 656 HB2 ASN 680 2HB ASN 680 -3.521 18.012 -14.187 657 HB3 ASN 680 1HB ASN 680 -4.268 19.600 -14.116 658 HD21 ASN 680 2HD ASN 680 -2.560 17.952 -10.863 659 H ASN 681 H ASN 681 -7.363 16.448 -14.531 660 HA ASN 681 HA ASN 681 -6.726 16.924 -17.316 661 HB2 ASN 681 2HB ASN 681 -8.026 14.859 -17.751 662 HB3 ASN 681 1HB ASN 681 -6.752 14.574 -16.589 663 HD21 ASN 681 2HD ASN 681 -10.053 12.978 -15.618 664 H GLU 682 H GLU 682 -8.466 17.316 -18.798 665 HA GLU 682 HA GLU 682 -10.174 19.422 -18.034 666 HB2 GLU 682 2HB GLU 682 -10.413 17.585 -20.416 667 HB3 GLU 682 1HB GLU 682 -11.222 19.130 -20.232 668 HG2 GLU 682 2HG GLU 682 -9.059 20.261 -20.232 669 HG3 GLU 682 1HG GLU 682 -8.245 18.707 -20.396 670 H LYS 683 H LYS 683 -10.557 16.066 -18.002 671 HA LYS 683 HA LYS 683 -13.393 15.916 -17.878 672 HB2 LYS 683 2HB LYS 683 -11.989 14.169 -18.760 673 HB3 LYS 683 1HB LYS 683 -11.214 13.977 -17.200 674 HG2 LYS 683 2HG LYS 683 -13.296 13.155 -16.268 675 HG3 LYS 683 1HG LYS 683 -14.095 13.402 -17.833 676 HD2 LYS 683 2HD LYS 683 -12.513 11.932 -18.883 677 HD3 LYS 683 1HD LYS 683 -11.708 11.660 -17.339 678 HE2 LYS 683 2HE LYS 683 -13.748 10.661 -16.453 679 HE3 LYS 683 1HE LYS 683 -14.568 10.929 -17.989 680 HZ1 LYS 683 3HZ LYS 683 -12.959 9.445 -19.051 681 HZ2 LYS 683 1HZ LYS 683 -13.741 8.647 -17.792 682 HZ3 LYS 683 2HZ LYS 683 -12.180 9.218 -17.583 683 H ARG 684 H ARG 684 -10.758 16.316 -15.495 684 HA ARG 684 HA ARG 684 -10.678 16.473 -13.228 685 HB2 ARG 684 2HB ARG 684 -12.392 18.305 -13.771 686 HB3 ARG 684 1HB ARG 684 -13.634 17.135 -13.374 687 HG2 ARG 684 2HG ARG 684 -13.319 18.488 -11.461 688 HG3 ARG 684 1HG ARG 684 -12.549 16.939 -11.105 689 HD2 ARG 684 2HD ARG 684 -11.120 18.785 -10.406 690 HD3 ARG 684 1HD ARG 684 -10.365 17.897 -11.726 691 HE ARG 684 HE ARG 684 -11.936 20.038 -12.683 692 HH12 ARG 684 1HH ARG 684 -8.045 20.769 -11.886 693 HH21 ARG 684 2HH ARG 684 -9.241 22.224 -13.195 694 H THR 685 H THR 685 -10.237 14.321 -13.200 695 HA THR 685 HA THR 685 -12.462 12.629 -12.337 696 HB THR 685 HB THR 685 -9.824 11.906 -13.600 697 HG1 THR 685 1HG THR 685 -12.461 12.206 -14.447 698 HG21 THR 685 2HG THR 685 -10.555 10.285 -12.008 699 HA PRO 686 HA PRO 686 -10.439 12.644 -8.308 700 HB2 PRO 686 2HB PRO 686 -11.941 10.578 -7.299 701 HB3 PRO 686 1HB PRO 686 -12.402 12.270 -7.230 702 HG2 PRO 686 2HG PRO 686 -13.323 10.118 -9.068 703 HG3 PRO 686 1HG PRO 686 -14.214 11.514 -8.444 704 HD2 PRO 686 2HD PRO 686 -13.243 11.352 -10.972 705 HD3 PRO 686 1HD PRO 686 -13.459 12.889 -10.118 706 H ARG 687 H ARG 687 -8.865 11.454 -7.373 707 HA ARG 687 HA ARG 687 -7.914 9.119 -8.848 708 HB2 ARG 687 2HB ARG 687 -6.641 10.924 -6.814 709 HB3 ARG 687 1HB ARG 687 -5.865 9.488 -7.461 710 HG2 ARG 687 2HG ARG 687 -5.835 10.479 -9.663 711 HG3 ARG 687 1HG ARG 687 -6.743 11.874 -9.059 712 HD2 ARG 687 2HD ARG 687 -4.955 12.482 -7.588 713 HD3 ARG 687 1HD ARG 687 -4.101 10.992 -7.963 714 HE ARG 687 HE ARG 687 -3.699 11.815 -10.137 715 HH12 ARG 687 1HH ARG 687 -4.114 15.561 -8.614 716 HH21 ARG 687 2HH ARG 687 -2.608 15.145 -10.491 717 H ALA 688 H ALA 688 -7.819 7.135 -7.910 718 HA ALA 688 HA ALA 688 -8.435 6.969 -5.051 719 HB1 ALA 688 1HB ALA 688 -9.498 5.163 -7.230 720 HB2 ALA 688 2HB ALA 688 -10.431 6.366 -6.342 721 HB3 ALA 688 3HB ALA 688 -9.775 4.960 -5.501 722 H THR 689 H THR 689 -7.634 4.983 -4.085 723 HA THR 689 HA THR 689 -5.319 3.886 -5.527 724 HB THR 689 HB THR 689 -5.520 4.497 -2.563 725 HG1 THR 689 1HG THR 689 -5.178 6.292 -3.919 726 HG21 THR 689 2HG THR 689 -3.217 3.366 -4.165 727 H LEU 690 H LEU 690 -5.112 1.734 -5.563 728 HA LEU 690 HA LEU 690 -6.938 0.147 -3.926 729 HB2 LEU 690 2HB LEU 690 -7.485 0.357 -6.414 730 HB3 LEU 690 1HB LEU 690 -5.978 -0.456 -6.735 731 HG LEU 690 HG LEU 690 -7.842 -1.969 -6.996 732 HD13 LEU 690 1HD LEU 690 -5.809 -2.963 -6.179 733 HD21 LEU 690 2HD LEU 690 -9.290 -2.579 -5.142 734 H ILE 691 H ILE 691 -5.691 -0.884 -2.539 735 HA ILE 691 HA ILE 691 -2.958 -1.608 -3.333 736 HB ILE 691 HB ILE 691 -4.193 -1.597 -0.547 737 HG12 ILE 691 1HG ILE 691 -2.226 0.339 -1.779 738 HG23 ILE 691 2HG ILE 691 -1.859 -1.860 0.219 739 HD11 ILE 691 1HD ILE 691 -2.631 1.740 0.163 740 H THR 692 H THR 692 -2.706 -3.619 -3.977 741 HA THR 692 HA THR 692 -4.748 -5.616 -3.363 742 HB THR 692 HB THR 692 -2.454 -5.784 -5.251 743 HG1 THR 692 1HG THR 692 -4.320 -5.182 -6.813 744 HG21 THR 692 2HG THR 692 -5.180 -7.075 -5.268 745 H PHE 693 H PHE 693 -4.196 -7.008 -1.763 746 HA PHE 693 HA PHE 693 -1.410 -7.258 -0.934 747 HB2 PHE 693 2HB PHE 693 -3.981 -8.180 0.278 748 HB3 PHE 693 1HB PHE 693 -2.406 -8.363 1.045 749 HD1 PHE 693 1HD PHE 693 -4.769 -5.770 -0.213 750 HD2 PHE 693 2HD PHE 693 -1.561 -6.628 2.442 751 HE1 PHE 693 1HE PHE 693 -5.049 -3.581 0.826 752 HE2 PHE 693 2HE PHE 693 -1.833 -4.424 3.476 753 HZ PHE 693 HZ PHE 693 -3.598 -2.900 2.654 754 H LEU 694 H LEU 694 -0.283 -8.991 -1.457 755 HA LEU 694 HA LEU 694 -1.699 -11.310 -2.573 756 HB2 LEU 694 2HB LEU 694 1.027 -10.173 -3.157 757 HB3 LEU 694 1HB LEU 694 0.575 -11.790 -3.620 758 HG LEU 694 HG LEU 694 0.493 -10.254 -5.485 759 HD13 LEU 694 1HD LEU 694 -1.726 -10.718 -6.308 760 HD21 LEU 694 2HD LEU 694 -1.699 -8.819 -4.016 761 H CYS 695 H CYS 695 -1.045 -13.272 -2.042 762 HA CYS 695 HA CYS 695 0.300 -13.572 0.523 763 HB2 CYS 695 2HB CYS 695 -1.836 -14.722 0.262 764 HB3 CYS 695 1HB CYS 695 -1.268 -15.482 -1.217 765 H ASP 696 H ASP 696 2.463 -13.841 0.396 766 HA ASP 696 HA ASP 696 3.401 -15.595 -1.732 767 HB2 ASP 696 2HB ASP 696 3.937 -13.199 -2.274 768 HB3 ASP 696 1HB ASP 696 4.936 -13.154 -0.820 769 H ARG 697 H ARG 697 5.097 -16.889 -1.218 770 HA ARG 697 HA ARG 697 5.211 -17.810 1.436 771 HB2 ARG 697 2HB ARG 697 7.113 -18.328 -0.836 772 HB3 ARG 697 1HB ARG 697 7.040 -19.225 0.667 773 HG2 ARG 697 2HG ARG 697 4.840 -20.025 0.131 774 HG3 ARG 697 1HG ARG 697 4.813 -19.050 -1.344 775 HD2 ARG 697 2HD ARG 697 6.787 -21.227 -0.709 776 HD3 ARG 697 1HD ARG 697 5.409 -21.395 -1.797 777 HE ARG 697 HE ARG 697 6.605 -19.384 -2.957 778 HH12 ARG 697 1HH ARG 697 9.473 -22.207 -2.651 779 HH21 ARG 697 2HH ARG 697 9.597 -20.615 -4.314 780 H ASP 698 H ASP 698 7.226 -15.508 -0.334 781 HA ASP 698 HA ASP 698 8.973 -15.389 2.022 782 HB2 ASP 698 2HB ASP 698 9.586 -14.674 -0.858 783 HB3 ASP 698 1HB ASP 698 10.665 -14.382 0.495 784 H ALA 699 H ALA 699 8.368 -13.740 3.225 785 HA ALA 699 HA ALA 699 8.248 -11.091 2.281 786 HB1 ALA 699 1HB ALA 699 5.853 -10.659 2.607 787 HB2 ALA 699 2HB ALA 699 5.578 -12.370 2.921 788 HB3 ALA 699 3HB ALA 699 6.106 -11.842 1.325 789 H GLY 700 H GLY 700 6.760 -9.932 4.095 790 HA2 GLY 700 2HA GLY 700 7.062 -11.008 6.735 791 HA3 GLY 700 1HA GLY 700 8.093 -9.608 6.381 792 H VAL 701 H VAL 701 7.188 -7.640 6.843 793 HA VAL 701 HA VAL 701 4.464 -7.401 7.195 794 HB VAL 701 HB VAL 701 4.909 -4.976 7.044 795 HG13 VAL 701 1HG VAL 701 6.638 -6.579 8.896 796 HG21 VAL 701 2HG VAL 701 7.262 -4.163 7.046 797 H GLY 702 H GLY 702 6.615 -6.738 4.534 798 HA2 GLY 702 2HA GLY 702 5.895 -7.151 2.317 799 HA3 GLY 702 1HA GLY 702 4.276 -6.652 2.802 800 H PHE 703 H PHE 703 6.277 -5.724 0.835 801 HA PHE 703 HA PHE 703 6.115 -2.914 1.559 802 HB2 PHE 703 2HB PHE 703 8.264 -4.247 -0.110 803 HB3 PHE 703 1HB PHE 703 8.174 -2.531 0.276 804 HD1 PHE 703 2HD PHE 703 8.337 -1.831 2.696 805 HD2 PHE 703 1HD PHE 703 9.294 -5.754 1.358 806 HE1 PHE 703 2HE PHE 703 9.595 -2.233 4.767 807 HE2 PHE 703 1HE PHE 703 10.553 -6.157 3.426 808 HZ PHE 703 HZ PHE 703 10.698 -4.390 5.137 809 HA PRO 704 HA PRO 704 3.438 -3.103 -1.953 810 HB2 PRO 704 2HB PRO 704 2.948 -0.435 -2.125 811 HB3 PRO 704 1HB PRO 704 2.166 -1.492 -0.944 812 HG2 PRO 704 2HG PRO 704 4.490 0.358 -0.578 813 HG3 PRO 704 1HG PRO 704 3.135 0.037 0.511 814 HD2 PRO 704 2HD PRO 704 5.572 -1.048 0.870 815 HD3 PRO 704 1HD PRO 704 4.076 -1.872 1.334 816 H GLU 705 H GLU 705 3.653 -2.930 -4.055 817 HA GLU 705 HA GLU 705 5.852 -1.320 -5.155 818 HB2 GLU 705 2HB GLU 705 6.320 -3.695 -5.362 819 HB3 GLU 705 1HB GLU 705 4.725 -3.990 -6.032 820 HG2 GLU 705 2HG GLU 705 6.404 -4.070 -7.755 821 HG3 GLU 705 1HG GLU 705 5.317 -2.716 -8.021 822 H TYR 706 H TYR 706 5.263 0.080 -6.693 823 HA TYR 706 HA TYR 706 2.456 0.462 -7.201 824 HB2 TYR 706 2HB TYR 706 3.781 2.451 -6.964 825 HB3 TYR 706 1HB TYR 706 4.895 1.972 -8.223 826 HD1 TYR 706 2HD TYR 706 1.284 2.731 -7.660 827 HD2 TYR 706 1HD TYR 706 4.545 2.750 -10.397 828 HE1 TYR 706 2HE TYR 706 -0.089 3.877 -9.251 829 HE2 TYR 706 1HE TYR 706 3.167 3.919 -12.031 830 HH TYR 706 HH TYR 706 0.286 5.407 -11.277 831 H GLN 707 H GLN 707 1.344 -0.442 -8.700 832 HA GLN 707 HA GLN 707 2.753 -1.948 -10.712 833 HB2 GLN 707 2HB GLN 707 -0.158 -1.859 -9.948 834 HB3 GLN 707 1HB GLN 707 0.470 -2.829 -11.269 835 HG2 GLN 707 2HG GLN 707 1.274 -3.069 -8.382 836 HG3 GLN 707 1HG GLN 707 0.164 -4.145 -9.237 837 HE21 GLN 707 2HE GLN 707 4.171 -4.480 -9.739 838 H GLU 708 H GLU 708 -0.288 -0.166 -11.057 839 HA GLU 708 HA GLU 708 0.810 1.648 -12.947 840 HB2 GLU 708 2HB GLU 708 -0.423 0.821 -14.906 841 HB3 GLU 708 1HB GLU 708 0.805 -0.315 -14.365 842 HG2 GLU 708 2HG GLU 708 -0.929 -1.666 -13.264 843 HG3 GLU 708 1HG GLU 708 -2.150 -0.517 -13.787 844 H GLU 709 H GLU 709 -0.413 3.380 -12.781 845 HA GLU 709 HA GLU 709 -3.220 3.125 -12.106 846 HB2 GLU 709 2HB GLU 709 -1.809 5.112 -11.390 847 HB3 GLU 709 1HB GLU 709 -1.705 5.580 -13.077 848 HG2 GLU 709 2HG GLU 709 -4.255 5.423 -11.455 849 HG3 GLU 709 1HG GLU 709 -3.357 6.898 -11.772 850 H ASP 710 H ASP 710 -4.711 2.964 -13.578 851 HA ASP 710 HA ASP 710 -4.328 3.566 -16.390 852 HB2 ASP 710 2HB ASP 710 -3.124 1.418 -16.189 853 HB3 ASP 710 1HB ASP 710 -4.545 0.694 -15.461 854 H ASN 711 H ASN 711 -6.067 2.136 -13.803 855 HA ASN 711 HA ASN 711 -8.602 2.257 -15.244 856 HB2 ASN 711 2HB ASN 711 -9.394 0.729 -13.469 857 HB3 ASN 711 1HB ASN 711 -8.012 0.096 -14.358 858 HD21 ASN 711 2HD ASN 711 -5.891 -0.030 -11.555 859 H SER 712 H SER 712 -7.210 4.709 -13.952 860 HA SER 712 HA SER 712 -7.683 6.484 -12.897 861 HB2 SER 712 2HB SER 712 -10.063 7.125 -12.242 862 HB3 SER 712 1HB SER 712 -9.881 6.662 -13.923 863 HG SER 712 HG SER 712 -10.483 4.479 -12.548 864 H THR 713 H THR 713 -7.429 3.755 -11.549 865 HA THR 713 HA THR 713 -7.315 4.847 -8.860 866 HB THR 713 HB THR 713 -7.974 1.995 -9.664 867 HG1 THR 713 1HG THR 713 -9.529 4.210 -9.401 868 HG21 THR 713 2HG THR 713 -6.887 2.167 -7.488 869 H TYR 714 H TYR 714 -5.368 4.509 -7.929 870 HA TYR 714 HA TYR 714 -3.194 3.486 -9.548 871 HB2 TYR 714 2HB TYR 714 -3.244 4.766 -6.800 872 HB3 TYR 714 1HB TYR 714 -1.783 4.307 -7.658 873 HD1 TYR 714 1HD TYR 714 -4.805 6.483 -7.984 874 HD2 TYR 714 2HD TYR 714 -0.736 5.863 -9.053 875 HE1 TYR 714 1HE TYR 714 -4.756 8.682 -9.055 876 HE2 TYR 714 2HE TYR 714 -0.682 8.071 -10.123 877 HH TYR 714 HH TYR 714 -2.228 9.680 -11.093 878 H ASN 715 H ASN 715 -2.608 1.420 -9.408 879 HA ASN 715 HA ASN 715 -3.438 -0.123 -7.052 880 HB2 ASN 715 2HB ASN 715 -2.635 -0.812 -9.794 881 HB3 ASN 715 1HB ASN 715 -2.569 -2.068 -8.556 882 HD21 ASN 715 2HD ASN 715 -6.054 -2.535 -8.457 883 H PHE 716 H PHE 716 -2.156 -0.847 -5.649 884 HA PHE 716 HA PHE 716 0.713 -1.009 -6.211 885 HB2 PHE 716 2HB PHE 716 -0.597 -0.416 -3.536 886 HB3 PHE 716 1HB PHE 716 1.099 -0.711 -3.798 887 HD1 PHE 716 1HD PHE 716 -1.618 1.681 -4.466 888 HD2 PHE 716 2HD PHE 716 2.546 0.888 -4.672 889 HE1 PHE 716 1HE PHE 716 -1.191 4.051 -4.974 890 HE2 PHE 716 2HE PHE 716 2.975 3.242 -5.173 891 HZ PHE 716 HZ PHE 716 1.142 4.813 -5.334 892 H ARG 717 H ARG 717 1.660 -2.832 -5.730 893 HA ARG 717 HA ARG 717 -0.092 -5.026 -4.934 894 HB2 ARG 717 2HB ARG 717 0.889 -5.219 -7.155 895 HB3 ARG 717 1HB ARG 717 2.500 -4.992 -6.494 896 HG2 ARG 717 2HG ARG 717 2.444 -6.993 -5.396 897 HG3 ARG 717 1HG ARG 717 0.718 -7.270 -5.733 898 HD2 ARG 717 2HD ARG 717 2.025 -8.655 -7.226 899 HD3 ARG 717 1HD ARG 717 1.323 -7.347 -8.174 900 HE ARG 717 HE ARG 717 3.903 -6.656 -7.250 901 HH12 ARG 717 1HH ARG 717 3.664 -8.739 -10.706 902 HH21 ARG 717 2HH ARG 717 5.633 -7.516 -10.161 903 H TRP 718 H TRP 718 0.146 -5.717 -2.951 904 HA TRP 718 HA TRP 718 2.612 -5.118 -1.466 905 HB2 TRP 718 2HB TRP 718 0.309 -4.237 -0.697 906 HB3 TRP 718 1HB TRP 718 -0.108 -5.908 -0.396 907 HD1 TRP 718 HD TRP 718 1.772 -7.153 1.386 908 HE1 TRP 718 1HE TRP 718 2.650 -6.141 3.613 909 HE3 TRP 718 3HE TRP 718 0.713 -2.254 0.537 910 HZ2 TRP 718 2HZ TRP 718 2.863 -3.635 4.828 911 HZ3 TRP 718 3HZ TRP 718 1.262 -0.616 2.272 912 HH2 TRP 718 HH TRP 718 2.306 -1.297 4.363 913 H TYR 719 H TYR 719 3.756 -6.856 -0.657 914 HA TYR 719 HA TYR 719 2.691 -9.571 -1.220 915 HB2 TYR 719 2HB TYR 719 5.580 -8.866 -0.690 916 HB3 TYR 719 1HB TYR 719 4.936 -10.304 -1.471 917 HD1 TYR 719 2HD TYR 719 3.924 -10.063 -3.790 918 HD2 TYR 719 1HD TYR 719 6.156 -6.979 -1.899 919 HE1 TYR 719 2HE TYR 719 4.227 -8.973 -5.951 920 HE2 TYR 719 1HE TYR 719 6.478 -5.868 -4.042 921 HH TYR 719 HH TYR 719 6.501 -6.414 -6.340 922 H THR 720 H THR 720 1.801 -10.295 0.726 923 HA THR 720 HA THR 720 3.529 -9.960 3.023 924 HB THR 720 HB THR 720 1.974 -8.068 3.176 925 HG1 THR 720 1HG THR 720 2.336 -8.543 5.164 926 HG21 THR 720 2HG THR 720 0.055 -9.048 1.960 927 H SER 721 H SER 721 3.503 -11.514 4.475 928 HA SER 721 HA SER 721 2.372 -13.998 3.829 929 HB2 SER 721 2HB SER 721 3.415 -14.600 6.050 930 HB3 SER 721 1HB SER 721 4.514 -13.869 4.873 931 HG SER 721 HG SER 721 3.216 -12.521 7.007 932 H TYR 722 H TYR 722 1.315 -11.222 5.650 933 HA TYR 722 HA TYR 722 -0.450 -12.553 7.402 934 HB2 TYR 722 2HB TYR 722 -0.369 -9.646 6.542 935 HB3 TYR 722 1HB TYR 722 -1.339 -10.305 7.837 936 HD1 TYR 722 2HD TYR 722 2.112 -9.544 6.810 937 HD2 TYR 722 1HD TYR 722 -0.393 -10.874 9.974 938 HE1 TYR 722 2HE TYR 722 3.965 -9.253 8.384 939 HE2 TYR 722 1HE TYR 722 1.460 -10.586 11.563 940 HH TYR 722 HH TYR 722 3.878 -10.512 11.533 941 H ALA 723 H ALA 723 -0.596 -11.977 4.102 942 HA ALA 723 HA ALA 723 -3.519 -11.946 4.014 943 HB1 ALA 723 1HB ALA 723 -3.237 -11.677 1.591 944 HB2 ALA 723 2HB ALA 723 -1.492 -11.845 1.771 945 HB3 ALA 723 3HB ALA 723 -2.320 -10.456 2.472 946 H CYS 724 H CYS 724 -1.428 -14.163 4.666 947 HA CYS 724 HA CYS 724 -2.523 -16.230 2.893 948 HB2 CYS 724 2HB CYS 724 -0.076 -16.304 4.670 949 HB3 CYS 724 1HB CYS 724 -0.597 -17.588 3.579 950 HA PRO 725 HA PRO 725 -4.877 -17.480 6.474 951 HB2 PRO 725 2HB PRO 725 -6.002 -19.713 5.414 952 HB3 PRO 725 1HB PRO 725 -6.547 -18.086 5.006 953 HG2 PRO 725 2HG PRO 725 -4.802 -19.944 3.462 954 HG3 PRO 725 1HG PRO 725 -6.037 -18.825 2.873 955 HD2 PRO 725 2HD PRO 725 -3.337 -18.331 2.789 956 HD3 PRO 725 1HD PRO 725 -4.577 -17.066 2.809 Start of MODEL 19 1 H1 GLU 578 1HT GLU 578 -14.581 0.067 -13.962 2 H2 GLU 578 2HT GLU 578 -14.023 1.625 -13.767 3 H3 GLU 578 3HT GLU 578 -15.169 1.261 -14.994 4 HA GLU 578 HA GLU 578 -15.574 1.078 -12.080 5 HB2 GLU 578 2HB GLU 578 -16.731 2.974 -14.120 6 HB3 GLU 578 1HB GLU 578 -17.226 2.876 -12.436 7 HG2 GLU 578 2HG GLU 578 -14.997 3.550 -11.738 8 HG3 GLU 578 1HG GLU 578 -14.486 3.631 -13.424 9 H ALA 579 H ALA 579 -17.301 -0.004 -11.420 10 HA ALA 579 HA ALA 579 -19.429 -0.754 -13.221 11 HB1 ALA 579 1HB ALA 579 -17.840 -2.617 -13.464 12 HB2 ALA 579 2HB ALA 579 -19.242 -3.141 -12.528 13 HB3 ALA 579 3HB ALA 579 -17.728 -2.763 -11.709 14 H GLU 580 H GLU 580 -21.060 -2.062 -11.653 15 HA GLU 580 HA GLU 580 -21.329 -0.274 -9.409 16 HB2 GLU 580 2HB GLU 580 -23.107 -2.528 -10.323 17 HB3 GLU 580 1HB GLU 580 -23.476 -1.449 -8.984 18 HG2 GLU 580 2HG GLU 580 -23.422 0.442 -10.557 19 HG3 GLU 580 1HG GLU 580 -23.138 -0.707 -11.865 20 H ALA 581 H ALA 581 -21.842 -3.754 -9.464 21 HA ALA 581 HA ALA 581 -21.201 -5.440 -8.201 22 HB1 ALA 581 1HB ALA 581 -19.056 -5.483 -7.100 23 HB2 ALA 581 2HB ALA 581 -18.938 -3.727 -7.189 24 HB3 ALA 581 3HB ALA 581 -18.893 -4.687 -8.667 25 H GLU 582 H GLU 582 -22.473 -6.046 -6.739 26 HA GLU 582 HA GLU 582 -23.005 -4.423 -4.387 27 HB2 GLU 582 2HB GLU 582 -23.986 -7.194 -5.140 28 HB3 GLU 582 1HB GLU 582 -24.572 -6.231 -3.798 29 HG2 GLU 582 2HG GLU 582 -24.850 -5.558 -6.713 30 HG3 GLU 582 1HG GLU 582 -26.109 -6.210 -5.665 31 H PHE 583 H PHE 583 -22.226 -7.813 -4.955 32 HA PHE 583 HA PHE 583 -19.788 -7.969 -3.717 33 HB2 PHE 583 2HB PHE 583 -20.358 -9.159 -1.601 34 HB3 PHE 583 1HB PHE 583 -20.938 -7.501 -1.582 35 HD1 PHE 583 2HD PHE 583 -23.341 -7.030 -1.658 36 HD2 PHE 583 1HD PHE 583 -21.871 -11.019 -1.600 37 HE1 PHE 583 2HE PHE 583 -25.576 -7.836 -1.061 38 HE2 PHE 583 1HE PHE 583 -24.112 -11.837 -1.002 39 HZ PHE 583 HZ PHE 583 -25.964 -10.248 -0.733 40 H LEU 584 H LEU 584 -18.951 -9.939 -4.139 41 HA LEU 584 HA LEU 584 -20.539 -12.254 -4.665 42 HB2 LEU 584 2HB LEU 584 -20.866 -10.857 -6.778 43 HB3 LEU 584 1HB LEU 584 -19.154 -10.980 -7.065 44 HG LEU 584 HG LEU 584 -21.115 -13.298 -7.101 45 HD13 LEU 584 1HD LEU 584 -19.767 -11.842 -9.358 46 HD21 LEU 584 2HD LEU 584 -18.203 -13.232 -7.930 47 H SER 585 H SER 585 -17.556 -11.030 -6.103 48 HA SER 585 HA SER 585 -16.119 -13.098 -4.658 49 HB2 SER 585 2HB SER 585 -14.370 -12.730 -6.428 50 HB3 SER 585 1HB SER 585 -15.904 -13.344 -7.046 51 HG SER 585 HG SER 585 -14.900 -11.603 -8.211 52 H ARG 586 H ARG 586 -16.843 -9.927 -4.580 53 HA ARG 586 HA ARG 586 -14.391 -9.233 -3.132 54 HB2 ARG 586 2HB ARG 586 -14.743 -7.826 -5.142 55 HB3 ARG 586 1HB ARG 586 -16.336 -7.386 -4.537 56 HG2 ARG 586 2HG ARG 586 -15.199 -6.432 -2.507 57 HG3 ARG 586 1HG ARG 586 -13.667 -6.693 -3.328 58 HD2 ARG 586 2HD ARG 586 -14.413 -5.233 -5.157 59 HD3 ARG 586 1HD ARG 586 -15.938 -4.968 -4.316 60 HE ARG 586 HE ARG 586 -13.297 -4.015 -3.522 61 HH12 ARG 586 1HH ARG 586 -16.759 -2.618 -1.946 62 HH21 ARG 586 2HH ARG 586 -14.758 -1.517 -1.474 63 H THR 587 H THR 587 -14.688 -8.665 -1.063 64 HA THR 587 HA THR 587 -17.386 -7.942 -0.184 65 HB THR 587 HB THR 587 -16.554 -10.272 0.700 66 HG1 THR 587 1HG THR 587 -17.171 -9.628 2.944 67 HG21 THR 587 2HG THR 587 -14.824 -8.471 2.392 68 H GLU 588 H GLU 588 -17.410 -6.123 1.144 69 HA GLU 588 HA GLU 588 -14.765 -4.941 1.564 70 HB2 GLU 588 2HB GLU 588 -16.349 -3.609 0.142 71 HB3 GLU 588 1HB GLU 588 -17.440 -3.520 1.512 72 HG2 GLU 588 2HG GLU 588 -15.882 -2.189 2.755 73 HG3 GLU 588 1HG GLU 588 -14.629 -2.435 1.546 74 H GLY 589 H GLY 589 -14.047 -4.941 3.556 75 HA2 GLY 589 2HA GLY 589 -15.825 -6.039 5.566 76 HA3 GLY 589 1HA GLY 589 -14.073 -5.967 5.631 77 H ASP 590 H ASP 590 -13.786 -5.032 7.529 78 HA ASP 590 HA ASP 590 -15.179 -2.501 8.045 79 HB2 ASP 590 2HB ASP 590 -15.689 -4.474 9.571 80 HB3 ASP 590 1HB ASP 590 -14.008 -4.445 10.071 81 H ASN 591 H ASN 591 -13.382 -1.875 10.253 82 HA ASN 591 HA ASN 591 -11.357 -0.600 8.676 83 HB2 ASN 591 2HB ASN 591 -11.955 -0.418 11.634 84 HB3 ASN 591 1HB ASN 591 -10.875 0.637 10.730 85 HD21 ASN 591 2HD ASN 591 -14.888 1.205 10.716 86 H CYS 592 H CYS 592 -9.536 -1.540 8.285 87 HA CYS 592 HA CYS 592 -7.558 -2.588 8.474 88 HB2 CYS 592 2HB CYS 592 -8.118 -2.474 11.418 89 HB3 CYS 592 1HB CYS 592 -6.587 -3.027 10.720 90 H THR 593 H THR 593 -10.366 -4.057 9.004 91 HA THR 593 HA THR 593 -9.073 -6.656 9.074 92 HB THR 593 HB THR 593 -11.063 -7.415 10.450 93 HG1 THR 593 1HG THR 593 -11.209 -4.606 10.795 94 HG21 THR 593 2HG THR 593 -9.110 -5.496 11.728 95 H VAL 594 H VAL 594 -10.063 -8.118 7.774 96 HA VAL 594 HA VAL 594 -12.529 -7.261 6.501 97 HB VAL 594 HB VAL 594 -10.673 -6.862 4.925 98 HG13 VAL 594 1HG VAL 594 -10.137 -9.808 5.091 99 HG21 VAL 594 2HG VAL 594 -12.865 -7.396 4.052 100 H PHE 595 H PHE 595 -14.075 -8.706 6.649 101 HA PHE 595 HA PHE 595 -13.218 -11.474 6.864 102 HB2 PHE 595 2HB PHE 595 -14.384 -10.888 8.922 103 HB3 PHE 595 1HB PHE 595 -15.735 -10.229 7.999 104 HD1 PHE 595 2HD PHE 595 -13.783 -13.396 7.921 105 HD2 PHE 595 1HD PHE 595 -17.608 -11.565 8.085 106 HE1 PHE 595 2HE PHE 595 -14.809 -15.596 7.854 107 HE2 PHE 595 1HE PHE 595 -18.661 -13.785 8.027 108 HZ PHE 595 HZ PHE 595 -17.238 -15.815 7.914 109 H ASP 596 H ASP 596 -13.796 -12.801 5.341 110 HA ASP 596 HA ASP 596 -15.721 -11.746 3.410 111 HB2 ASP 596 2HB ASP 596 -13.312 -12.148 2.681 112 HB3 ASP 596 1HB ASP 596 -13.643 -13.839 2.854 113 H SER 597 H SER 597 -17.554 -12.763 3.378 114 HA SER 597 HA SER 597 -18.061 -15.057 4.890 115 HB2 SER 597 2HB SER 597 -20.298 -14.908 3.759 116 HB3 SER 597 1HB SER 597 -19.781 -13.440 4.592 117 HG SER 597 HG SER 597 -20.541 -13.665 2.137 118 H GLN 598 H GLN 598 -17.025 -14.672 1.483 119 HA GLN 598 HA GLN 598 -17.935 -17.293 0.794 120 HB2 GLN 598 2HB GLN 598 -16.699 -16.972 -1.235 121 HB3 GLN 598 1HB GLN 598 -17.752 -15.563 -0.990 122 HG2 GLN 598 2HG GLN 598 -15.735 -14.387 -0.143 123 HG3 GLN 598 1HG GLN 598 -14.789 -15.812 -0.521 124 HE21 GLN 598 2HE GLN 598 -14.596 -13.086 -3.090 125 H ALA 599 H ALA 599 -14.990 -15.751 1.893 126 HA ALA 599 HA ALA 599 -13.415 -18.084 1.328 127 HB1 ALA 599 1HB ALA 599 -11.544 -16.834 2.281 128 HB2 ALA 599 2HB ALA 599 -12.657 -15.658 2.928 129 HB3 ALA 599 3HB ALA 599 -12.459 -15.796 1.172 130 H GLY 600 H GLY 600 -15.180 -16.735 3.950 131 HA2 GLY 600 2HA GLY 600 -15.807 -17.646 5.963 132 HA3 GLY 600 1HA GLY 600 -14.955 -19.116 5.513 133 H PHE 601 H PHE 601 -13.111 -16.214 5.379 134 HA PHE 601 HA PHE 601 -12.024 -16.724 8.039 135 HB2 PHE 601 2HB PHE 601 -10.364 -16.449 5.525 136 HB3 PHE 601 1HB PHE 601 -9.704 -16.360 7.148 137 HD1 PHE 601 2HD PHE 601 -10.067 -18.437 8.647 138 HD2 PHE 601 1HD PHE 601 -10.499 -18.468 4.417 139 HE1 PHE 601 2HE PHE 601 -9.760 -20.874 8.639 140 HE2 PHE 601 1HE PHE 601 -10.191 -20.908 4.399 141 HZ PHE 601 HZ PHE 601 -9.821 -22.116 6.509 142 H SER 602 H SER 602 -11.068 -14.983 9.035 143 HA SER 602 HA SER 602 -11.624 -12.385 7.810 144 HB2 SER 602 2HB SER 602 -13.097 -12.946 9.766 145 HB3 SER 602 1HB SER 602 -11.652 -13.134 10.751 146 HG SER 602 HG SER 602 -12.309 -10.766 9.353 147 H PHE 603 H PHE 603 -9.958 -10.954 7.789 148 HA PHE 603 HA PHE 603 -7.467 -11.804 9.081 149 HB2 PHE 603 2HB PHE 603 -7.790 -10.743 6.273 150 HB3 PHE 603 1HB PHE 603 -6.242 -10.922 7.088 151 HD1 PHE 603 1HD PHE 603 -5.302 -13.110 7.496 152 HD2 PHE 603 2HD PHE 603 -9.043 -12.733 5.424 153 HE1 PHE 603 1HE PHE 603 -5.130 -15.430 6.718 154 HE2 PHE 603 2HE PHE 603 -8.842 -15.030 4.672 155 HZ PHE 603 HZ PHE 603 -6.899 -16.389 5.309 156 H ASP 604 H ASP 604 -6.462 -10.321 10.220 157 HA ASP 604 HA ASP 604 -7.267 -7.459 10.063 158 HB2 ASP 604 2HB ASP 604 -6.383 -7.233 12.317 159 HB3 ASP 604 1HB ASP 604 -7.518 -8.569 12.305 160 H LEU 605 H LEU 605 -6.088 -6.251 8.975 161 HA LEU 605 HA LEU 605 -3.243 -6.930 8.735 162 HB2 LEU 605 2HB LEU 605 -4.934 -5.253 6.883 163 HB3 LEU 605 1HB LEU 605 -3.215 -5.506 6.688 164 HG LEU 605 HG LEU 605 -5.394 -7.580 6.442 165 HD13 LEU 605 1HD LEU 605 -3.373 -6.562 4.493 166 HD21 LEU 605 2HD LEU 605 -3.512 -8.613 7.567 167 H THR 606 H THR 606 -4.740 -5.582 10.742 168 HA THR 606 HA THR 606 -4.404 -2.910 11.021 169 HB THR 606 HB THR 606 -4.171 -4.877 13.273 170 HG1 THR 606 1HG THR 606 -6.497 -5.109 12.976 171 HG21 THR 606 2HG THR 606 -5.806 -3.372 14.236 172 HA PRO 607 HA PRO 607 -0.088 -4.007 13.338 173 HB2 PRO 607 2HB PRO 607 1.152 -6.225 12.222 174 HB3 PRO 607 1HB PRO 607 0.261 -6.216 13.752 175 HG2 PRO 607 2HG PRO 607 -0.674 -7.033 11.032 176 HG3 PRO 607 1HG PRO 607 -0.942 -7.828 12.590 177 HD2 PRO 607 2HD PRO 607 -2.866 -6.354 11.513 178 HD3 PRO 607 1HD PRO 607 -2.525 -6.244 13.254 179 H LEU 608 H LEU 608 -0.872 -4.405 10.025 180 HA LEU 608 HA LEU 608 1.689 -3.902 8.950 181 HB2 LEU 608 2HB LEU 608 -1.057 -3.997 7.832 182 HB3 LEU 608 1HB LEU 608 0.286 -3.439 6.816 183 HG LEU 608 HG LEU 608 1.325 -5.708 7.196 184 HD13 LEU 608 1HD LEU 608 0.235 -6.330 9.238 185 HD21 LEU 608 2HD LEU 608 0.138 -5.188 5.176 186 H THR 609 H THR 609 -0.608 -1.877 10.330 187 HA THR 609 HA THR 609 -0.113 0.579 8.878 188 HB THR 609 HB THR 609 -0.869 0.285 11.798 189 HG1 THR 609 1HG THR 609 -2.574 0.427 9.521 190 HG21 THR 609 2HG THR 609 -1.430 2.435 9.762 191 H LYS 610 H LYS 610 1.480 2.029 8.952 192 HA LYS 610 HA LYS 610 3.428 1.778 11.126 193 HB2 LYS 610 2HB LYS 610 4.046 2.019 8.195 194 HB3 LYS 610 1HB LYS 610 5.195 2.316 9.477 195 HG2 LYS 610 2HG LYS 610 4.861 -0.052 10.199 196 HG3 LYS 610 1HG LYS 610 3.870 -0.281 8.764 197 HD2 LYS 610 2HD LYS 610 5.714 0.309 7.326 198 HD3 LYS 610 1HD LYS 610 6.728 0.681 8.720 199 HE2 LYS 610 2HE LYS 610 5.586 -2.024 8.027 200 HE3 LYS 610 1HE LYS 610 7.247 -1.516 7.740 201 HZ1 LYS 610 3HZ LYS 610 5.940 -1.810 10.404 202 HZ2 LYS 610 1HZ LYS 610 7.508 -1.242 10.141 203 HZ3 LYS 610 2HZ LYS 610 7.131 -2.815 9.747 204 H LYS 611 H LYS 611 4.231 3.657 11.874 205 HA LYS 611 HA LYS 611 3.153 6.160 11.004 206 HB2 LYS 611 2HB LYS 611 5.079 5.318 13.098 207 HB3 LYS 611 1HB LYS 611 5.154 6.992 12.565 208 HG2 LYS 611 2HG LYS 611 3.769 6.713 14.517 209 HG3 LYS 611 1HG LYS 611 2.863 7.308 13.113 210 HD2 LYS 611 2HD LYS 611 2.047 4.987 12.740 211 HD3 LYS 611 1HD LYS 611 2.866 4.499 14.224 212 HE2 LYS 611 2HE LYS 611 0.747 6.609 14.017 213 HE3 LYS 611 1HE LYS 611 0.434 4.957 14.536 214 HZ1 LYS 611 3HZ LYS 611 0.660 6.434 16.424 215 HZ2 LYS 611 1HZ LYS 611 2.180 6.948 15.912 216 HZ3 LYS 611 2HZ LYS 611 1.939 5.352 16.438 217 H ASP 612 H ASP 612 6.004 4.443 10.577 218 HA ASP 612 HA ASP 612 7.513 6.335 9.065 219 HB2 ASP 612 2HB ASP 612 7.545 3.304 8.934 220 HB3 ASP 612 1HB ASP 612 8.703 4.338 8.115 221 H ALA 613 H ALA 613 4.873 4.271 8.395 222 HA ALA 613 HA ALA 613 3.559 3.821 6.667 223 HB1 ALA 613 1HB ALA 613 3.267 6.265 6.639 224 HB2 ALA 613 2HB ALA 613 3.164 5.581 5.017 225 HB3 ALA 613 3HB ALA 613 4.625 6.412 5.528 226 H TYR 614 H TYR 614 3.595 3.732 4.089 227 HA TYR 614 HA TYR 614 6.142 2.458 3.426 228 HB2 TYR 614 2HB TYR 614 3.341 1.848 2.469 229 HB3 TYR 614 1HB TYR 614 4.807 1.092 1.861 230 HD1 TYR 614 2HD TYR 614 2.880 1.585 5.075 231 HD2 TYR 614 1HD TYR 614 5.575 -0.877 2.849 232 HE1 TYR 614 2HE TYR 614 2.708 -0.095 6.748 233 HE2 TYR 614 1HE TYR 614 5.398 -2.599 4.568 234 HH TYR 614 HH TYR 614 3.002 -2.424 7.009 235 H LYS 615 H LYS 615 7.246 3.366 1.736 236 HA LYS 615 HA LYS 615 5.752 5.116 0.015 237 HB2 LYS 615 2HB LYS 615 6.928 6.442 1.464 238 HB3 LYS 615 1HB LYS 615 8.339 5.429 1.468 239 HG2 LYS 615 2HG LYS 615 8.625 6.036 -0.928 240 HG3 LYS 615 1HG LYS 615 7.319 7.225 -0.653 241 HD2 LYS 615 2HD LYS 615 8.575 8.389 0.953 242 HD3 LYS 615 1HD LYS 615 9.710 7.056 1.167 243 HE2 LYS 615 2HE LYS 615 10.514 7.333 -0.957 244 HE3 LYS 615 1HE LYS 615 9.382 8.646 -1.327 245 HZ1 LYS 615 3HZ LYS 615 10.460 9.936 0.511 246 HZ2 LYS 615 1HZ LYS 615 11.526 9.609 -0.736 247 HZ3 LYS 615 2HZ LYS 615 11.631 8.732 0.678 248 H VAL 616 H VAL 616 5.970 4.615 -1.954 249 HA VAL 616 HA VAL 616 8.093 2.773 -2.877 250 HB VAL 616 HB VAL 616 5.528 3.544 -4.240 251 HG13 VAL 616 1HG VAL 616 7.234 2.811 -5.811 252 HG21 VAL 616 2HG VAL 616 4.668 1.289 -3.658 253 H GLU 617 H GLU 617 9.415 3.514 -4.485 254 HA GLU 617 HA GLU 617 9.041 6.340 -5.230 255 HB2 GLU 617 2HB GLU 617 11.591 4.846 -4.673 256 HB3 GLU 617 1HB GLU 617 11.515 6.475 -5.336 257 HG2 GLU 617 2HG GLU 617 10.453 7.290 -3.363 258 HG3 GLU 617 1HG GLU 617 10.328 5.660 -2.705 259 H THR 618 H THR 618 9.106 6.879 -7.355 260 HA THR 618 HA THR 618 9.973 4.784 -9.191 261 HB THR 618 HB THR 618 8.382 5.704 -10.814 262 HG1 THR 618 1HG THR 618 7.461 7.455 -8.795 263 HG21 THR 618 2HG THR 618 7.456 4.055 -9.133 264 H ASP 619 H ASP 619 10.009 6.619 -11.390 265 HA ASP 619 HA ASP 619 12.588 7.706 -11.042 266 HB2 ASP 619 2HB ASP 619 10.568 8.223 -13.231 267 HB3 ASP 619 1HB ASP 619 12.228 8.798 -13.254 268 H LYS 620 H LYS 620 9.393 9.197 -10.997 269 HA LYS 620 HA LYS 620 10.713 11.603 -9.899 270 HB2 LYS 620 2HB LYS 620 8.408 11.627 -11.830 271 HB3 LYS 620 1HB LYS 620 9.110 13.043 -11.074 272 HG2 LYS 620 2HG LYS 620 11.219 12.617 -12.283 273 HG3 LYS 620 1HG LYS 620 10.485 11.197 -13.025 274 HD2 LYS 620 2HD LYS 620 9.516 14.044 -13.336 275 HD3 LYS 620 1HD LYS 620 10.454 13.146 -14.528 276 HE2 LYS 620 2HE LYS 620 7.669 12.460 -13.551 277 HE3 LYS 620 1HE LYS 620 8.093 13.146 -15.110 278 HZ1 LYS 620 3HZ LYS 620 8.845 10.430 -14.131 279 HZ2 LYS 620 1HZ LYS 620 9.379 11.113 -15.580 280 HZ3 LYS 620 2HZ LYS 620 7.758 10.801 -15.352 281 H TYR 621 H TYR 621 8.270 9.309 -9.412 282 HA TYR 621 HA TYR 621 6.999 11.202 -7.556 283 HB2 TYR 621 2HB TYR 621 5.676 9.006 -9.127 284 HB3 TYR 621 1HB TYR 621 4.855 10.129 -8.028 285 HD1 TYR 621 2HD TYR 621 5.116 12.650 -8.640 286 HD2 TYR 621 1HD TYR 621 5.800 9.480 -11.361 287 HE1 TYR 621 2HE TYR 621 4.887 14.225 -10.542 288 HE2 TYR 621 1HE TYR 621 5.562 11.051 -13.254 289 HH TYR 621 HH TYR 621 4.543 13.135 -13.735 290 H GLU 622 H GLU 622 6.611 10.457 -5.553 291 HA GLU 622 HA GLU 622 7.226 7.641 -5.096 292 HB2 GLU 622 2HB GLU 622 7.692 8.150 -2.782 293 HB3 GLU 622 1HB GLU 622 8.636 9.269 -3.753 294 HG2 GLU 622 2HG GLU 622 7.110 11.043 -3.313 295 HG3 GLU 622 1HG GLU 622 5.975 9.948 -2.555 296 H PHE 623 H PHE 623 5.714 6.531 -3.961 297 HA PHE 623 HA PHE 623 3.208 7.983 -3.570 298 HB2 PHE 623 2HB PHE 623 3.654 5.020 -4.037 299 HB3 PHE 623 1HB PHE 623 2.094 5.791 -3.784 300 HD1 PHE 623 1HD PHE 623 4.911 5.410 -6.140 301 HD2 PHE 623 2HD PHE 623 0.970 6.901 -5.573 302 HE1 PHE 623 1HE PHE 623 4.692 5.762 -8.558 303 HE2 PHE 623 2HE PHE 623 0.753 7.256 -7.985 304 HZ PHE 623 HZ PHE 623 2.615 6.686 -9.485 305 H HIS 624 H HIS 624 2.852 8.283 -1.486 306 HA HIS 624 HA HIS 624 4.148 6.470 0.409 307 HB2 HIS 624 2HB HIS 624 4.300 9.200 0.179 308 HB3 HIS 624 1HB HIS 624 2.998 9.005 1.347 309 HD1 HIS 624 1HD HIS 624 6.540 9.249 1.095 310 HD2 HIS 624 2HD HIS 624 3.888 7.256 3.593 311 HE1 HIS 624 1HE HIS 624 7.859 8.619 3.129 312 HE2 HIS 624 2HE HIS 624 6.152 7.766 4.738 313 H ILE 625 H ILE 625 2.768 5.156 1.428 314 HA ILE 625 HA ILE 625 -0.037 5.924 1.693 315 HB ILE 625 HB ILE 625 -0.798 3.732 0.903 316 HG12 ILE 625 1HG ILE 625 2.140 3.178 0.525 317 HG23 ILE 625 2HG ILE 625 1.061 4.964 -1.136 318 HD11 ILE 625 1HD ILE 625 0.887 2.203 -1.414 319 H ASN 626 H ASN 626 -1.050 4.730 3.330 320 HA ASN 626 HA ASN 626 0.712 3.104 5.012 321 HB2 ASN 626 2HB ASN 626 0.558 5.389 5.991 322 HB3 ASN 626 1HB ASN 626 -1.193 5.223 6.055 323 HD21 ASN 626 2HD ASN 626 -0.694 4.268 9.351 324 H VAL 627 H VAL 627 -0.472 1.595 6.332 325 HA VAL 627 HA VAL 627 -2.873 0.665 4.957 326 HB VAL 627 HB VAL 627 -1.427 -0.631 7.277 327 HG13 VAL 627 1HG VAL 627 -2.474 -2.678 6.445 328 HG21 VAL 627 2HG VAL 627 0.149 -0.321 5.487 329 H CYS 628 H CYS 628 -4.676 1.434 5.585 330 HA CYS 628 HA CYS 628 -6.457 1.996 6.809 331 HB2 CYS 628 2HB CYS 628 -4.768 1.371 9.228 332 HB3 CYS 628 1HB CYS 628 -6.434 1.901 9.300 333 H GLY 629 H GLY 629 -7.203 3.829 7.440 334 HA2 GLY 629 2HA GLY 629 -7.365 5.982 8.290 335 HA3 GLY 629 1HA GLY 629 -5.866 5.667 9.150 336 HA PRO 630 HA PRO 630 -4.483 8.578 6.133 337 HB2 PRO 630 2HB PRO 630 -3.214 10.118 7.786 338 HB3 PRO 630 1HB PRO 630 -4.985 10.077 7.757 339 HG2 PRO 630 2HG PRO 630 -3.106 8.738 9.701 340 HG3 PRO 630 1HG PRO 630 -4.634 9.596 10.056 341 HD2 PRO 630 2HD PRO 630 -4.191 6.870 9.759 342 HD3 PRO 630 1HD PRO 630 -5.771 7.685 9.715 343 H VAL 631 H VAL 631 -2.297 9.313 5.650 344 HA VAL 631 HA VAL 631 -0.266 7.413 6.490 345 HB VAL 631 HB VAL 631 -0.537 7.568 4.054 346 HG13 VAL 631 1HG VAL 631 0.084 10.486 4.313 347 HG21 VAL 631 2HG VAL 631 2.020 8.833 4.982 348 H SER 632 H SER 632 1.314 8.081 7.766 349 HA SER 632 HA SER 632 1.209 10.809 8.573 350 HB2 SER 632 2HB SER 632 2.721 9.877 10.450 351 HB3 SER 632 1HB SER 632 1.058 9.310 10.363 352 HG SER 632 HG SER 632 3.423 7.973 9.627 353 H VAL 633 H VAL 633 2.087 11.560 6.627 354 HA VAL 633 HA VAL 633 5.001 11.519 6.744 355 HB VAL 633 HB VAL 633 4.347 10.142 4.811 356 HG13 VAL 633 1HG VAL 633 2.912 12.509 3.729 357 HG21 VAL 633 2HG VAL 633 6.424 11.381 4.637 358 H GLY 634 H GLY 634 5.966 13.453 6.736 359 HA2 GLY 634 2HA GLY 634 4.352 15.832 6.808 360 HA3 GLY 634 1HA GLY 634 6.101 15.756 6.977 361 H ALA 635 H ALA 635 3.673 15.166 4.624 362 HA ALA 635 HA ALA 635 4.829 16.928 2.639 363 HB1 ALA 635 1HB ALA 635 6.095 14.866 2.206 364 HB2 ALA 635 2HB ALA 635 4.937 15.186 0.905 365 HB3 ALA 635 3HB ALA 635 4.580 13.960 2.116 366 H CYS 636 H CYS 636 2.468 14.496 3.631 367 HA CYS 636 HA CYS 636 0.497 16.007 2.111 368 HB2 CYS 636 2HB CYS 636 0.639 13.023 2.532 369 HB3 CYS 636 1HB CYS 636 -0.650 13.879 1.685 370 HA PRO 637 HA PRO 637 -1.527 16.745 5.872 371 HB2 PRO 637 2HB PRO 637 -4.158 16.663 5.104 372 HB3 PRO 637 1HB PRO 637 -3.077 18.022 4.786 373 HG2 PRO 637 2HG PRO 637 -3.830 15.742 2.998 374 HG3 PRO 637 1HG PRO 637 -3.732 17.472 2.615 375 HD2 PRO 637 2HD PRO 637 -1.776 15.817 1.919 376 HD3 PRO 637 1HD PRO 637 -1.415 17.446 2.528 377 HA PRO 638 HA PRO 638 -2.580 12.970 8.014 378 HB2 PRO 638 2HB PRO 638 -4.399 14.730 9.562 379 HB3 PRO 638 1HB PRO 638 -3.145 13.617 10.121 380 HG2 PRO 638 2HG PRO 638 -2.690 16.224 10.142 381 HG3 PRO 638 1HG PRO 638 -1.424 15.089 9.623 382 HD2 PRO 638 2HD PRO 638 -3.187 16.848 7.965 383 HD3 PRO 638 1HD PRO 638 -1.460 16.462 7.795 384 H ASP 639 H ASP 639 -5.006 14.798 6.367 385 HA ASP 639 HA ASP 639 -7.059 12.816 6.931 386 HB2 ASP 639 2HB ASP 639 -8.441 14.087 5.327 387 HB3 ASP 639 1HB ASP 639 -7.897 15.065 6.703 388 H SER 640 H SER 640 -4.444 12.876 4.991 389 HA SER 640 HA SER 640 -5.750 11.410 2.836 390 HB2 SER 640 2HB SER 640 -4.356 13.367 2.198 391 HB3 SER 640 1HB SER 640 -2.981 12.652 3.027 392 HG SER 640 HG SER 640 -4.326 11.671 0.724 393 H GLY 641 H GLY 641 -5.317 9.267 2.587 394 HA2 GLY 641 2HA GLY 641 -3.529 8.000 4.558 395 HA3 GLY 641 1HA GLY 641 -4.851 7.182 3.732 396 H ALA 642 H ALA 642 -4.021 8.456 1.188 397 HA ALA 642 HA ALA 642 -1.425 7.224 0.736 398 HB1 ALA 642 1HB ALA 642 -2.989 5.518 0.051 399 HB2 ALA 642 2HB ALA 642 -2.313 6.267 -1.384 400 HB3 ALA 642 3HB ALA 642 -3.936 6.711 -0.869 401 H CYS 643 H CYS 643 -0.197 8.622 -0.256 402 HA CYS 643 HA CYS 643 -1.409 10.646 -1.933 403 HB2 CYS 643 2HB CYS 643 -1.403 11.625 0.258 404 HB3 CYS 643 1HB CYS 643 0.295 11.225 0.465 405 H GLN 644 H GLN 644 -0.161 11.207 -3.627 406 HA GLN 644 HA GLN 644 2.581 10.175 -3.598 407 HB2 GLN 644 2HB GLN 644 2.529 10.803 -5.928 408 HB3 GLN 644 1HB GLN 644 1.674 9.265 -5.613 409 HG2 GLN 644 2HG GLN 644 -0.408 10.671 -5.788 410 HG3 GLN 644 1HG GLN 644 0.613 12.044 -6.197 411 HE21 GLN 644 2HE GLN 644 1.213 11.014 -9.476 412 H VAL 645 H VAL 645 4.234 11.449 -4.124 413 HA VAL 645 HA VAL 645 3.664 14.191 -4.702 414 HB VAL 645 HB VAL 645 3.944 14.391 -2.326 415 HG13 VAL 645 1HG VAL 645 6.478 12.817 -2.576 416 HG21 VAL 645 2HG VAL 645 5.100 16.129 -3.582 417 H SER 646 H SER 646 4.793 15.013 -6.132 418 HA SER 646 HA SER 646 6.717 13.487 -7.573 419 HB2 SER 646 2HB SER 646 5.200 15.081 -8.703 420 HB3 SER 646 1HB SER 646 5.931 16.400 -7.797 421 HG SER 646 HG SER 646 6.785 16.065 -10.005 422 H ARG 647 H ARG 647 8.713 13.267 -6.900 423 HA ARG 647 HA ARG 647 9.907 15.025 -4.993 424 HB2 ARG 647 2HB ARG 647 11.886 13.626 -5.221 425 HB3 ARG 647 1HB ARG 647 10.464 12.599 -5.231 426 HG2 ARG 647 2HG ARG 647 10.631 12.563 -7.732 427 HG3 ARG 647 1HG ARG 647 12.210 13.336 -7.548 428 HD2 ARG 647 2HD ARG 647 11.338 10.678 -6.433 429 HD3 ARG 647 1HD ARG 647 12.494 10.966 -7.733 430 HE ARG 647 HE ARG 647 13.753 12.221 -5.858 431 HH12 ARG 647 1HH ARG 647 12.887 8.651 -4.131 432 HH21 ARG 647 2HH ARG 647 14.707 9.974 -3.335 433 H SER 648 H SER 648 9.477 14.969 -8.326 434 HA SER 648 HA SER 648 11.687 16.599 -9.126 435 HB2 SER 648 2HB SER 648 10.351 14.826 -10.568 436 HB3 SER 648 1HB SER 648 9.150 16.062 -10.618 437 HG SER 648 HG SER 648 11.755 16.248 -11.636 438 H ASP 649 H ASP 649 8.171 17.032 -8.685 439 HA ASP 649 HA ASP 649 8.406 19.912 -9.300 440 HB2 ASP 649 2HB ASP 649 5.920 18.232 -9.075 441 HB3 ASP 649 1HB ASP 649 5.994 19.907 -9.584 442 H ARG 650 H ARG 650 7.904 17.849 -6.686 443 HA ARG 650 HA ARG 650 7.455 18.020 -4.596 444 HB2 ARG 650 2HB ARG 650 9.036 19.865 -4.616 445 HB3 ARG 650 1HB ARG 650 7.771 20.991 -5.082 446 HG2 ARG 650 2HG ARG 650 8.302 21.217 -2.757 447 HG3 ARG 650 1HG ARG 650 6.664 20.565 -3.117 448 HD2 ARG 650 2HD ARG 650 7.822 19.413 -1.178 449 HD3 ARG 650 1HD ARG 650 7.259 18.379 -2.482 450 HE ARG 650 HE ARG 650 9.957 19.190 -2.823 451 HH12 ARG 650 1HH ARG 650 9.070 15.714 -0.948 452 HH21 ARG 650 2HH ARG 650 11.222 16.065 -1.798 453 H LYS 651 H LYS 651 5.498 18.278 -6.751 454 HA LYS 651 HA LYS 651 3.088 19.421 -5.607 455 HB2 LYS 651 2HB LYS 651 3.725 17.780 -8.054 456 HB3 LYS 651 1HB LYS 651 2.098 18.251 -7.603 457 HG2 LYS 651 2HG LYS 651 4.287 20.189 -7.973 458 HG3 LYS 651 1HG LYS 651 3.398 19.546 -9.349 459 HD2 LYS 651 2HD LYS 651 1.318 20.229 -8.203 460 HD3 LYS 651 1HD LYS 651 2.294 21.046 -6.971 461 HE2 LYS 651 2HE LYS 651 2.336 21.472 -9.878 462 HE3 LYS 651 1HE LYS 651 1.482 22.556 -8.758 463 HZ1 LYS 651 3HZ LYS 651 3.764 22.935 -7.723 464 HZ2 LYS 651 1HZ LYS 651 3.605 23.548 -9.284 465 HZ3 LYS 651 2HZ LYS 651 4.428 22.127 -9.061 466 H SER 652 H SER 652 1.566 18.175 -4.455 467 HA SER 652 HA SER 652 2.001 15.293 -4.557 468 HB2 SER 652 2HB SER 652 0.805 16.647 -2.109 469 HB3 SER 652 1HB SER 652 1.407 15.005 -2.417 470 HG SER 652 HG SER 652 3.065 15.731 -1.472 471 H TRP 653 H TRP 653 0.202 14.051 -4.632 472 HA TRP 653 HA TRP 653 -2.320 15.465 -5.087 473 HB2 TRP 653 2HB TRP 653 -1.252 13.114 -6.685 474 HB3 TRP 653 1HB TRP 653 -2.851 13.823 -6.871 475 HD1 TRP 653 HD TRP 653 -3.014 16.187 -8.136 476 HE1 TRP 653 1HE TRP 653 -1.355 17.445 -9.686 477 HE3 TRP 653 3HE TRP 653 1.256 13.585 -7.087 478 HZ2 TRP 653 2HZ TRP 653 1.350 17.326 -10.369 479 HZ3 TRP 653 3HZ TRP 653 3.314 14.192 -8.196 480 HH2 TRP 653 HH TRP 653 3.371 16.069 -9.838 481 H ASN 654 H ASN 654 -4.157 14.330 -4.450 482 HA ASN 654 HA ASN 654 -3.562 12.562 -2.213 483 HB2 ASN 654 2HB ASN 654 -5.031 14.731 -2.018 484 HB3 ASN 654 1HB ASN 654 -6.107 13.862 -3.010 485 HD21 ASN 654 2HD ASN 654 -7.619 13.202 0.034 486 H LEU 655 H LEU 655 -3.722 10.473 -2.522 487 HA LEU 655 HA LEU 655 -5.250 9.430 -4.785 488 HB2 LEU 655 2HB LEU 655 -3.183 8.125 -3.035 489 HB3 LEU 655 1HB LEU 655 -3.878 7.467 -4.497 490 HG LEU 655 HG LEU 655 -2.039 9.838 -4.299 491 HD13 LEU 655 1HD LEU 655 -0.495 8.404 -5.517 492 HD21 LEU 655 2HD LEU 655 -3.296 8.550 -6.717 493 H GLY 656 H GLY 656 -6.054 10.185 -1.883 494 HA2 GLY 656 2HA GLY 656 -8.275 8.856 -1.542 495 HA3 GLY 656 1HA GLY 656 -7.133 7.605 -1.070 496 H ARG 657 H ARG 657 -9.194 9.624 0.185 497 HA ARG 657 HA ARG 657 -7.654 10.874 2.199 498 HB2 ARG 657 2HB ARG 657 -10.619 10.235 2.341 499 HB3 ARG 657 1HB ARG 657 -9.703 11.500 3.162 500 HG2 ARG 657 2HG ARG 657 -9.302 12.595 0.959 501 HG3 ARG 657 1HG ARG 657 -10.307 11.362 0.230 502 HD2 ARG 657 2HD ARG 657 -11.192 13.318 2.330 503 HD3 ARG 657 1HD ARG 657 -11.531 13.427 0.604 504 HE ARG 657 HE ARG 657 -12.494 11.231 2.311 505 HH12 ARG 657 1HH ARG 657 -14.716 13.257 -0.426 506 HH21 ARG 657 2HH ARG 657 -15.683 11.492 0.809 507 H SER 658 H SER 658 -8.103 10.308 4.510 508 HA SER 658 HA SER 658 -7.147 7.803 5.154 509 HB2 SER 658 2HB SER 658 -7.972 8.385 7.447 510 HB3 SER 658 1HB SER 658 -6.944 9.607 6.684 511 HG SER 658 HG SER 658 -9.757 9.621 6.537 512 H ASN 659 H ASN 659 -8.020 5.838 5.317 513 HA ASN 659 HA ASN 659 -10.804 5.368 5.940 514 HB2 ASN 659 2HB ASN 659 -10.838 5.813 3.493 515 HB3 ASN 659 1HB ASN 659 -9.634 4.548 3.279 516 HD21 ASN 659 2HD ASN 659 -12.288 2.485 2.541 517 H ALA 660 H ALA 660 -11.084 3.084 6.473 518 HA ALA 660 HA ALA 660 -8.530 1.617 6.554 519 HB1 ALA 660 1HB ALA 660 -9.031 0.817 8.799 520 HB2 ALA 660 2HB ALA 660 -10.523 1.751 8.808 521 HB3 ALA 660 3HB ALA 660 -8.965 2.581 8.768 522 H LYS 661 H LYS 661 -11.291 1.532 5.057 523 HA LYS 661 HA LYS 661 -12.316 -1.036 5.871 524 HB2 LYS 661 2HB LYS 661 -13.076 0.520 3.374 525 HB3 LYS 661 1HB LYS 661 -13.962 -0.780 4.158 526 HG2 LYS 661 2HG LYS 661 -13.529 1.960 5.251 527 HG3 LYS 661 1HG LYS 661 -15.027 1.262 4.636 528 HD2 LYS 661 2HD LYS 661 -14.872 -0.468 6.430 529 HD3 LYS 661 1HD LYS 661 -13.472 0.425 7.057 530 HE2 LYS 661 2HE LYS 661 -16.224 1.460 6.684 531 HE3 LYS 661 1HE LYS 661 -15.515 1.000 8.239 532 HZ1 LYS 661 3HZ LYS 661 -15.399 3.398 7.958 533 HZ2 LYS 661 1HZ LYS 661 -14.677 3.261 6.480 534 HZ3 LYS 661 2HZ LYS 661 -13.823 2.810 7.880 535 H LEU 662 H LEU 662 -11.320 -2.806 5.446 536 HA LEU 662 HA LEU 662 -9.597 -3.052 3.127 537 HB2 LEU 662 2HB LEU 662 -10.331 -5.025 5.248 538 HB3 LEU 662 1HB LEU 662 -9.149 -5.351 3.982 539 HG LEU 662 HG LEU 662 -8.983 -3.556 6.384 540 HD13 LEU 662 1HD LEU 662 -8.468 -5.877 6.729 541 HD21 LEU 662 2HD LEU 662 -7.102 -3.621 4.022 542 H SER 663 H SER 663 -9.870 -4.723 1.524 543 HA SER 663 HA SER 663 -12.646 -5.603 1.234 544 HB2 SER 663 2HB SER 663 -10.718 -4.720 -0.928 545 HB3 SER 663 1HB SER 663 -12.405 -5.199 -1.155 546 HG SER 663 HG SER 663 -12.447 -3.367 0.668 547 H TYR 664 H TYR 664 -12.828 -7.758 0.502 548 HA TYR 664 HA TYR 664 -10.247 -9.160 0.158 549 HB2 TYR 664 2HB TYR 664 -12.025 -9.891 2.098 550 HB3 TYR 664 1HB TYR 664 -12.802 -10.572 0.707 551 HD1 TYR 664 2HD TYR 664 -11.356 -12.141 -0.847 552 HD2 TYR 664 1HD TYR 664 -10.480 -11.269 3.217 553 HE1 TYR 664 2HE TYR 664 -10.034 -14.190 -0.709 554 HE2 TYR 664 1HE TYR 664 -9.135 -13.330 3.357 555 HH TYR 664 HH TYR 664 -8.965 -15.513 2.217 556 H TYR 665 H TYR 665 -9.977 -10.050 -1.808 557 HA TYR 665 HA TYR 665 -12.308 -10.212 -3.586 558 HB2 TYR 665 2HB TYR 665 -10.527 -8.514 -4.168 559 HB3 TYR 665 1HB TYR 665 -9.386 -9.854 -4.262 560 HD1 TYR 665 1HD TYR 665 -12.579 -8.621 -5.610 561 HD2 TYR 665 2HD TYR 665 -9.174 -11.067 -6.247 562 HE1 TYR 665 1HE TYR 665 -13.319 -9.005 -7.858 563 HE2 TYR 665 2HE TYR 665 -9.895 -11.479 -8.549 564 HH TYR 665 HH TYR 665 -12.048 -11.447 -9.805 565 H ASP 666 H ASP 666 -12.567 -12.196 -4.487 566 HA ASP 666 HA ASP 666 -11.537 -14.449 -3.218 567 HB2 ASP 666 2HB ASP 666 -13.521 -14.600 -4.637 568 HB3 ASP 666 1HB ASP 666 -12.556 -14.243 -6.065 569 H GLY 667 H GLY 667 -9.581 -15.232 -3.119 570 HA2 GLY 667 2HA GLY 667 -7.682 -16.140 -4.266 571 HA3 GLY 667 1HA GLY 667 -7.799 -14.793 -5.392 572 H MET 668 H MET 668 -8.064 -12.589 -3.556 573 HA MET 668 HA MET 668 -5.755 -12.655 -1.800 574 HB2 MET 668 2HB MET 668 -5.676 -10.929 -4.295 575 HB3 MET 668 1HB MET 668 -4.586 -10.787 -2.928 576 HG2 MET 668 2HG MET 668 -4.832 -13.236 -4.672 577 HG3 MET 668 1HG MET 668 -3.620 -11.982 -4.900 578 HE1 MET 668 3HE MET 668 -1.767 -13.915 -4.857 579 HE2 MET 668 1HE MET 668 -3.019 -15.126 -4.582 580 HE3 MET 668 2HE MET 668 -1.595 -15.078 -3.543 581 H ILE 669 H ILE 669 -5.521 -10.713 -0.598 582 HA ILE 669 HA ILE 669 -8.044 -9.361 -0.176 583 HB ILE 669 HB ILE 669 -5.451 -9.194 1.409 584 HG12 ILE 669 1HG ILE 669 -8.045 -10.610 2.022 585 HG23 ILE 669 2HG ILE 669 -6.804 -8.099 3.160 586 HD11 ILE 669 1HD ILE 669 -6.848 -11.666 3.856 587 H GLN 670 H GLN 670 -8.416 -7.173 -0.425 588 HA GLN 670 HA GLN 670 -6.293 -5.574 -1.638 589 HB2 GLN 670 2HB GLN 670 -9.154 -5.874 -2.558 590 HB3 GLN 670 1HB GLN 670 -8.149 -4.512 -3.034 591 HG2 GLN 670 2HG GLN 670 -6.608 -5.960 -4.166 592 HG3 GLN 670 1HG GLN 670 -7.437 -7.403 -3.567 593 HE21 GLN 670 2HE GLN 670 -9.726 -5.289 -6.169 594 H LEU 671 H LEU 671 -6.667 -3.228 -1.387 595 HA LEU 671 HA LEU 671 -8.469 -2.592 0.868 596 HB2 LEU 671 2HB LEU 671 -5.922 -2.677 1.388 597 HB3 LEU 671 1HB LEU 671 -5.798 -1.220 0.425 598 HG LEU 671 HG LEU 671 -7.258 -1.608 3.024 599 HD13 LEU 671 1HD LEU 671 -4.807 -0.003 2.394 600 HD21 LEU 671 2HD LEU 671 -7.700 0.805 3.041 601 H THR 672 H THR 672 -9.852 -0.964 0.351 602 HA THR 672 HA THR 672 -9.393 0.421 -2.193 603 HB THR 672 HB THR 672 -11.998 0.029 -0.680 604 HG1 THR 672 1HG THR 672 -11.410 -1.993 -1.330 605 HG21 THR 672 2HG THR 672 -11.426 0.837 -3.548 606 H TYR 673 H TYR 673 -8.682 2.519 -1.875 607 HA TYR 673 HA TYR 673 -9.609 3.893 0.507 608 HB2 TYR 673 2HB TYR 673 -7.312 4.323 -1.275 609 HB3 TYR 673 1HB TYR 673 -7.936 5.740 -0.418 610 HD1 TYR 673 1HD TYR 673 -8.203 5.468 2.100 611 HD2 TYR 673 2HD TYR 673 -5.749 2.909 -0.231 612 HE1 TYR 673 1HE TYR 673 -7.001 4.819 4.120 613 HE2 TYR 673 2HE TYR 673 -4.523 2.239 1.809 614 HH TYR 673 HH TYR 673 -4.096 3.222 4.181 615 H ARG 674 H ARG 674 -9.754 6.371 0.128 616 HA ARG 674 HA ARG 674 -12.182 6.623 -1.347 617 HB2 ARG 674 2HB ARG 674 -10.681 8.565 0.366 618 HB3 ARG 674 1HB ARG 674 -12.123 9.007 -0.521 619 HG2 ARG 674 2HG ARG 674 -11.900 6.912 1.611 620 HG3 ARG 674 1HG ARG 674 -12.667 8.499 1.762 621 HD2 ARG 674 2HD ARG 674 -13.568 6.171 0.057 622 HD3 ARG 674 1HD ARG 674 -14.409 6.913 1.409 623 HE ARG 674 HE ARG 674 -14.042 8.922 -0.499 624 HH12 ARG 674 1HH ARG 674 -17.017 6.329 -1.326 625 HH21 ARG 674 2HH ARG 674 -16.867 8.479 -2.446 626 H ASP 675 H ASP 675 -12.554 8.787 -2.350 627 HA ASP 675 HA ASP 675 -11.440 8.768 -4.893 628 HB2 ASP 675 2HB ASP 675 -12.938 10.747 -5.166 629 HB3 ASP 675 1HB ASP 675 -13.722 9.338 -4.470 630 H GLY 676 H GLY 676 -10.947 10.863 -2.145 631 HA2 GLY 676 2HA GLY 676 -9.189 12.294 -1.589 632 HA3 GLY 676 1HA GLY 676 -8.261 11.459 -2.816 633 H THR 677 H THR 677 -7.503 12.745 -4.352 634 HA THR 677 HA THR 677 -8.981 15.163 -4.950 635 HB THR 677 HB THR 677 -5.997 14.675 -5.020 636 HG1 THR 677 1HG THR 677 -7.508 16.590 -3.578 637 HG21 THR 677 2HG THR 677 -6.645 16.123 -6.926 638 HA PRO 678 HA PRO 678 -9.162 13.107 -8.950 639 HB2 PRO 678 2HB PRO 678 -10.401 14.903 -10.418 640 HB3 PRO 678 1HB PRO 678 -11.217 14.088 -9.117 641 HG2 PRO 678 2HG PRO 678 -9.979 16.815 -8.990 642 HG3 PRO 678 1HG PRO 678 -11.597 16.308 -8.458 643 HD2 PRO 678 2HD PRO 678 -9.524 16.512 -6.710 644 HD3 PRO 678 1HD PRO 678 -10.796 15.280 -6.551 645 H TYR 679 H TYR 679 -8.287 13.199 -10.947 646 HA TYR 679 HA TYR 679 -5.625 13.791 -11.229 647 HB2 TYR 679 2HB TYR 679 -7.658 13.731 -13.459 648 HB3 TYR 679 1HB TYR 679 -5.937 13.852 -13.738 649 HD1 TYR 679 1HD TYR 679 -8.221 11.698 -11.716 650 HD2 TYR 679 2HD TYR 679 -4.988 11.899 -14.445 651 HE1 TYR 679 1HE TYR 679 -8.145 9.264 -11.780 652 HE2 TYR 679 2HE TYR 679 -4.915 9.421 -14.515 653 HH TYR 679 HH TYR 679 -5.628 7.522 -13.241 654 H ASN 680 H ASN 680 -7.766 15.573 -13.314 655 HA ASN 680 HA ASN 680 -7.462 18.223 -12.755 656 HB2 ASN 680 2HB ASN 680 -5.572 18.949 -14.196 657 HB3 ASN 680 1HB ASN 680 -5.006 17.983 -12.840 658 HD21 ASN 680 2HD ASN 680 -4.480 16.723 -16.677 659 H ASN 681 H ASN 681 -9.079 16.153 -14.138 660 HA ASN 681 HA ASN 681 -8.799 16.936 -16.922 661 HB2 ASN 681 2HB ASN 681 -9.862 14.784 -17.474 662 HB3 ASN 681 1HB ASN 681 -8.354 14.579 -16.594 663 HD21 ASN 681 2HD ASN 681 -11.144 12.349 -15.358 664 H GLU 682 H GLU 682 -10.932 16.519 -18.119 665 HA GLU 682 HA GLU 682 -12.695 18.537 -17.293 666 HB2 GLU 682 2HB GLU 682 -13.130 16.359 -19.314 667 HB3 GLU 682 1HB GLU 682 -14.077 17.828 -19.179 668 HG2 GLU 682 2HG GLU 682 -12.096 19.152 -19.703 669 HG3 GLU 682 1HG GLU 682 -11.151 17.673 -19.852 670 H LYS 683 H LYS 683 -12.826 15.056 -16.994 671 HA LYS 683 HA LYS 683 -15.543 14.975 -16.079 672 HB2 LYS 683 2HB LYS 683 -14.536 13.141 -17.303 673 HB3 LYS 683 1HB LYS 683 -13.366 12.909 -16.012 674 HG2 LYS 683 2HG LYS 683 -15.165 12.302 -14.480 675 HG3 LYS 683 1HG LYS 683 -16.342 12.567 -15.770 676 HD2 LYS 683 2HD LYS 683 -15.294 10.879 -17.092 677 HD3 LYS 683 1HD LYS 683 -14.095 10.589 -15.830 678 HE2 LYS 683 2HE LYS 683 -15.866 9.897 -14.287 679 HE3 LYS 683 1HE LYS 683 -17.081 10.218 -15.524 680 HZ1 LYS 683 3HZ LYS 683 -16.061 8.508 -16.896 681 HZ2 LYS 683 1HZ LYS 683 -16.561 7.867 -15.426 682 HZ3 LYS 683 2HZ LYS 683 -14.927 8.192 -15.694 683 H ARG 684 H ARG 684 -12.493 15.594 -14.552 684 HA ARG 684 HA ARG 684 -11.717 15.583 -12.486 685 HB2 ARG 684 2HB ARG 684 -14.624 15.830 -11.605 686 HB3 ARG 684 1HB ARG 684 -13.260 15.973 -10.529 687 HG2 ARG 684 2HG ARG 684 -14.092 18.155 -10.974 688 HG3 ARG 684 1HG ARG 684 -12.556 18.001 -11.815 689 HD2 ARG 684 2HD ARG 684 -14.248 19.133 -13.164 690 HD3 ARG 684 1HD ARG 684 -13.725 17.626 -13.912 691 HE ARG 684 HE ARG 684 -15.854 16.777 -12.623 692 HH12 ARG 684 1HH ARG 684 -17.146 19.779 -15.023 693 HH21 ARG 684 2HH ARG 684 -18.625 17.992 -14.379 694 H THR 685 H THR 685 -11.124 13.467 -13.052 695 HA THR 685 HA THR 685 -12.663 11.329 -11.900 696 HB THR 685 HB THR 685 -9.948 11.272 -13.235 697 HG1 THR 685 1HG THR 685 -11.325 10.255 -14.907 698 HG21 THR 685 2HG THR 685 -10.363 9.462 -11.733 699 HA PRO 686 HA PRO 686 -10.437 11.953 -8.022 700 HB2 PRO 686 2HB PRO 686 -11.507 9.790 -6.773 701 HB3 PRO 686 1HB PRO 686 -12.310 11.358 -6.884 702 HG2 PRO 686 2HG PRO 686 -12.728 8.877 -8.494 703 HG3 PRO 686 1HG PRO 686 -13.926 10.032 -7.885 704 HD2 PRO 686 2HD PRO 686 -13.090 10.008 -10.440 705 HD3 PRO 686 1HD PRO 686 -13.567 11.508 -9.611 706 H ARG 687 H ARG 687 -8.557 11.138 -7.240 707 HA ARG 687 HA ARG 687 -7.473 8.759 -8.528 708 HB2 ARG 687 2HB ARG 687 -6.161 10.738 -6.662 709 HB3 ARG 687 1HB ARG 687 -5.339 9.477 -7.545 710 HG2 ARG 687 2HG ARG 687 -5.941 10.616 -9.656 711 HG3 ARG 687 1HG ARG 687 -6.695 11.903 -8.709 712 HD2 ARG 687 2HD ARG 687 -4.494 12.208 -7.549 713 HD3 ARG 687 1HD ARG 687 -3.794 11.097 -8.724 714 HE ARG 687 HE ARG 687 -5.061 13.656 -9.390 715 HH12 ARG 687 1HH ARG 687 -1.756 12.141 -11.203 716 HH21 ARG 687 2HH ARG 687 -2.440 14.295 -11.686 717 H ALA 688 H ALA 688 -7.542 6.898 -7.446 718 HA ALA 688 HA ALA 688 -7.783 6.997 -4.516 719 HB1 ALA 688 1HB ALA 688 -9.306 5.183 -6.391 720 HB2 ALA 688 2HB ALA 688 -9.982 6.529 -5.479 721 HB3 ALA 688 3HB ALA 688 -9.356 5.120 -4.626 722 H THR 689 H THR 689 -7.166 4.937 -3.524 723 HA THR 689 HA THR 689 -5.012 3.663 -5.062 724 HB THR 689 HB THR 689 -5.140 4.207 -2.088 725 HG1 THR 689 1HG THR 689 -4.751 6.035 -3.382 726 HG21 THR 689 2HG THR 689 -2.915 3.035 -3.773 727 H LEU 690 H LEU 690 -5.018 1.510 -5.216 728 HA LEU 690 HA LEU 690 -6.778 -0.022 -3.460 729 HB2 LEU 690 2HB LEU 690 -7.593 0.289 -5.860 730 HB3 LEU 690 1HB LEU 690 -6.177 -0.591 -6.377 731 HG LEU 690 HG LEU 690 -8.141 -2.004 -6.434 732 HD13 LEU 690 1HD LEU 690 -6.354 -2.848 -4.186 733 HD21 LEU 690 2HD LEU 690 -9.517 -0.899 -4.811 734 H ILE 691 H ILE 691 -5.481 -1.220 -2.281 735 HA ILE 691 HA ILE 691 -2.848 -1.925 -3.363 736 HB ILE 691 HB ILE 691 -3.859 -2.128 -0.507 737 HG12 ILE 691 1HG ILE 691 -1.993 -0.091 -1.735 738 HG23 ILE 691 2HG ILE 691 -1.488 -2.441 0.044 739 HD11 ILE 691 1HD ILE 691 -1.517 -0.429 0.618 740 H THR 692 H THR 692 -2.531 -3.986 -4.030 741 HA THR 692 HA THR 692 -4.554 -5.974 -3.325 742 HB THR 692 HB THR 692 -2.482 -6.008 -5.489 743 HG1 THR 692 1HG THR 692 -4.655 -4.542 -5.237 744 HG21 THR 692 2HG THR 692 -5.055 -7.567 -5.148 745 H PHE 693 H PHE 693 -3.902 -7.447 -1.883 746 HA PHE 693 HA PHE 693 -1.089 -7.604 -1.123 747 HB2 PHE 693 2HB PHE 693 -3.605 -8.581 0.143 748 HB3 PHE 693 1HB PHE 693 -2.008 -8.704 0.874 749 HD1 PHE 693 1HD PHE 693 -4.483 -6.203 -0.347 750 HD2 PHE 693 2HD PHE 693 -1.195 -6.930 2.236 751 HE1 PHE 693 1HE PHE 693 -4.814 -4.033 0.676 752 HE2 PHE 693 2HE PHE 693 -1.518 -4.748 3.265 753 HZ PHE 693 HZ PHE 693 -3.325 -3.289 2.493 754 H LEU 694 H LEU 694 0.044 -9.365 -1.457 755 HA LEU 694 HA LEU 694 -1.336 -11.684 -2.612 756 HB2 LEU 694 2HB LEU 694 1.498 -10.762 -3.058 757 HB3 LEU 694 1HB LEU 694 0.817 -12.241 -3.677 758 HG LEU 694 HG LEU 694 0.970 -10.743 -5.421 759 HD13 LEU 694 1HD LEU 694 -1.899 -10.829 -4.568 760 HD21 LEU 694 2HD LEU 694 -0.105 -8.510 -5.485 761 H CYS 695 H CYS 695 -0.861 -13.587 -1.937 762 HA CYS 695 HA CYS 695 0.434 -13.986 0.616 763 HB2 CYS 695 2HB CYS 695 -1.477 -15.366 0.280 764 HB3 CYS 695 1HB CYS 695 -0.927 -15.868 -1.315 765 H ASP 696 H ASP 696 2.622 -14.029 0.686 766 HA ASP 696 HA ASP 696 3.841 -15.802 -1.288 767 HB2 ASP 696 2HB ASP 696 4.579 -13.524 -1.794 768 HB3 ASP 696 1HB ASP 696 5.203 -13.346 -0.153 769 H ARG 697 H ARG 697 5.371 -17.088 -0.745 770 HA ARG 697 HA ARG 697 5.404 -18.668 1.477 771 HB2 ARG 697 2HB ARG 697 7.715 -17.953 -0.301 772 HB3 ARG 697 1HB ARG 697 7.605 -19.371 0.727 773 HG2 ARG 697 2HG ARG 697 6.118 -20.418 -0.638 774 HG3 ARG 697 1HG ARG 697 5.475 -18.901 -1.282 775 HD2 ARG 697 2HD ARG 697 8.222 -19.997 -1.862 776 HD3 ARG 697 1HD ARG 697 6.834 -20.114 -2.953 777 HE ARG 697 HE ARG 697 7.375 -17.436 -2.099 778 HH12 ARG 697 1HH ARG 697 8.736 -18.644 -5.686 779 HH21 ARG 697 2HH ARG 697 8.584 -16.323 -5.124 780 H ASP 698 H ASP 698 7.467 -15.785 0.877 781 HA ASP 698 HA ASP 698 8.212 -15.834 3.694 782 HB2 ASP 698 2HB ASP 698 10.056 -16.920 2.559 783 HB3 ASP 698 1HB ASP 698 10.158 -15.609 1.393 784 H ALA 699 H ALA 699 7.463 -14.034 4.429 785 HA ALA 699 HA ALA 699 8.279 -11.537 3.306 786 HB1 ALA 699 1HB ALA 699 5.990 -10.652 3.090 787 HB2 ALA 699 2HB ALA 699 5.337 -12.246 3.467 788 HB3 ALA 699 3HB ALA 699 6.249 -12.001 1.982 789 H GLY 700 H GLY 700 6.645 -9.927 4.752 790 HA2 GLY 700 2HA GLY 700 6.685 -10.921 7.477 791 HA3 GLY 700 1HA GLY 700 7.623 -9.475 7.088 792 H VAL 701 H VAL 701 6.662 -7.659 7.391 793 HA VAL 701 HA VAL 701 3.857 -7.575 7.898 794 HB VAL 701 HB VAL 701 5.562 -6.141 9.028 795 HG13 VAL 701 1HG VAL 701 6.975 -5.477 7.271 796 HG21 VAL 701 2HG VAL 701 3.231 -5.605 9.245 797 H GLY 702 H GLY 702 5.977 -6.693 5.265 798 HA2 GLY 702 2HA GLY 702 4.581 -7.385 3.202 799 HA3 GLY 702 1HA GLY 702 3.641 -6.004 3.724 800 H PHE 703 H PHE 703 5.258 -6.696 1.429 801 HA PHE 703 HA PHE 703 6.864 -4.213 1.291 802 HB2 PHE 703 2HB PHE 703 7.200 -6.715 -0.394 803 HB3 PHE 703 1HB PHE 703 8.199 -5.275 -0.468 804 HD1 PHE 703 2HD PHE 703 9.771 -4.775 1.373 805 HD2 PHE 703 1HD PHE 703 7.509 -8.380 1.268 806 HE1 PHE 703 2HE PHE 703 11.289 -5.777 3.026 807 HE2 PHE 703 1HE PHE 703 9.020 -9.386 2.920 808 HZ PHE 703 HZ PHE 703 10.913 -8.085 3.802 809 HA PRO 704 HA PRO 704 3.582 -3.449 -1.852 810 HB2 PRO 704 2HB PRO 704 3.560 -0.790 -1.620 811 HB3 PRO 704 1HB PRO 704 2.730 -1.826 -0.454 812 HG2 PRO 704 2HG PRO 704 5.397 -0.487 -0.221 813 HG3 PRO 704 1HG PRO 704 4.095 -0.621 0.973 814 HD2 PRO 704 2HD PRO 704 6.265 -2.249 1.053 815 HD3 PRO 704 1HD PRO 704 4.667 -2.737 1.576 816 H GLU 705 H GLU 705 3.777 -2.895 -3.916 817 HA GLU 705 HA GLU 705 5.997 -1.246 -4.859 818 HB2 GLU 705 2HB GLU 705 6.679 -3.587 -5.119 819 HB3 GLU 705 1HB GLU 705 5.183 -3.947 -5.960 820 HG2 GLU 705 2HG GLU 705 7.098 -3.727 -7.467 821 HG3 GLU 705 1HG GLU 705 5.822 -2.560 -7.802 822 H TYR 706 H TYR 706 5.431 -0.046 -6.708 823 HA TYR 706 HA TYR 706 2.563 0.198 -7.085 824 HB2 TYR 706 2HB TYR 706 3.755 2.275 -6.828 825 HB3 TYR 706 1HB TYR 706 4.824 1.895 -8.170 826 HD1 TYR 706 2HD TYR 706 1.142 2.214 -7.468 827 HD2 TYR 706 1HD TYR 706 4.319 2.872 -10.240 828 HE1 TYR 706 2HE TYR 706 -0.398 3.315 -8.960 829 HE2 TYR 706 1HE TYR 706 2.763 3.987 -11.743 830 HH TYR 706 HH TYR 706 -0.316 4.968 -10.767 831 H GLN 707 H GLN 707 1.507 -0.821 -8.607 832 HA GLN 707 HA GLN 707 3.059 -2.045 -10.703 833 HB2 GLN 707 2HB GLN 707 0.153 -2.340 -9.955 834 HB3 GLN 707 1HB GLN 707 0.911 -3.183 -11.299 835 HG2 GLN 707 2HG GLN 707 1.732 -3.415 -8.413 836 HG3 GLN 707 1HG GLN 707 0.749 -4.586 -9.293 837 HE21 GLN 707 2HE GLN 707 4.774 -4.491 -9.789 838 H GLU 708 H GLU 708 -0.176 -0.566 -10.956 839 HA GLU 708 HA GLU 708 0.717 1.567 -12.559 840 HB2 GLU 708 2HB GLU 708 -0.172 0.871 -14.728 841 HB3 GLU 708 1HB GLU 708 1.134 -0.183 -14.214 842 HG2 GLU 708 2HG GLU 708 -0.524 -1.837 -13.483 843 HG3 GLU 708 1HG GLU 708 -1.810 -0.789 -14.071 844 H GLU 709 H GLU 709 -0.769 3.043 -12.531 845 HA GLU 709 HA GLU 709 -3.468 2.408 -11.741 846 HB2 GLU 709 2HB GLU 709 -2.340 4.487 -10.969 847 HB3 GLU 709 1HB GLU 709 -2.202 5.025 -12.626 848 HG2 GLU 709 2HG GLU 709 -4.829 4.586 -11.210 849 HG3 GLU 709 1HG GLU 709 -3.988 6.128 -11.270 850 H ASP 710 H ASP 710 -5.064 2.104 -13.080 851 HA ASP 710 HA ASP 710 -4.904 2.859 -15.906 852 HB2 ASP 710 2HB ASP 710 -3.873 0.632 -15.812 853 HB3 ASP 710 1HB ASP 710 -5.307 0.004 -15.008 854 H ASN 711 H ASN 711 -6.661 1.567 -13.219 855 HA ASN 711 HA ASN 711 -9.248 1.854 -14.555 856 HB2 ASN 711 2HB ASN 711 -10.075 0.512 -12.621 857 HB3 ASN 711 1HB ASN 711 -8.835 -0.312 -13.557 858 HD21 ASN 711 2HD ASN 711 -6.514 -0.476 -10.923 859 H SER 712 H SER 712 -7.517 4.131 -13.402 860 HA SER 712 HA SER 712 -7.738 6.072 -12.534 861 HB2 SER 712 2HB SER 712 -9.860 7.073 -11.757 862 HB3 SER 712 1HB SER 712 -10.114 6.235 -13.277 863 HG SER 712 HG SER 712 -10.768 4.421 -11.804 864 H THR 713 H THR 713 -7.973 3.356 -10.910 865 HA THR 713 HA THR 713 -7.364 4.643 -8.390 866 HB THR 713 HB THR 713 -8.319 1.820 -8.940 867 HG1 THR 713 1HG THR 713 -9.657 4.239 -8.492 868 HG21 THR 713 2HG THR 713 -8.095 3.411 -6.382 869 H TYR 714 H TYR 714 -5.383 4.248 -7.615 870 HA TYR 714 HA TYR 714 -3.406 3.090 -9.351 871 HB2 TYR 714 2HB TYR 714 -3.236 4.434 -6.640 872 HB3 TYR 714 1HB TYR 714 -1.837 3.900 -7.557 873 HD1 TYR 714 1HD TYR 714 -4.851 6.106 -7.909 874 HD2 TYR 714 2HD TYR 714 -0.778 5.453 -8.945 875 HE1 TYR 714 1HE TYR 714 -4.798 8.282 -9.047 876 HE2 TYR 714 2HE TYR 714 -0.719 7.628 -10.085 877 HH TYR 714 HH TYR 714 -2.241 9.203 -11.093 878 H ASN 715 H ASN 715 -2.915 0.992 -9.273 879 HA ASN 715 HA ASN 715 -3.580 -0.512 -6.864 880 HB2 ASN 715 2HB ASN 715 -3.137 -1.164 -9.691 881 HB3 ASN 715 1HB ASN 715 -2.927 -2.460 -8.509 882 HD21 ASN 715 2HD ASN 715 -6.377 -2.929 -8.032 883 H PHE 716 H PHE 716 -2.208 -1.283 -5.610 884 HA PHE 716 HA PHE 716 0.635 -1.319 -6.320 885 HB2 PHE 716 2HB PHE 716 -0.689 -0.889 -3.637 886 HB3 PHE 716 1HB PHE 716 1.028 -1.197 -3.836 887 HD1 PHE 716 1HD PHE 716 -1.691 1.182 -4.666 888 HD2 PHE 716 2HD PHE 716 2.502 0.506 -4.432 889 HE1 PHE 716 1HE PHE 716 -1.282 3.579 -5.038 890 HE2 PHE 716 2HE PHE 716 2.908 2.895 -4.799 891 HZ PHE 716 HZ PHE 716 1.026 4.428 -5.107 892 H ARG 717 H ARG 717 1.834 -3.023 -5.672 893 HA ARG 717 HA ARG 717 0.376 -5.534 -5.229 894 HB2 ARG 717 2HB ARG 717 1.740 -5.397 -7.260 895 HB3 ARG 717 1HB ARG 717 3.139 -4.925 -6.312 896 HG2 ARG 717 2HG ARG 717 3.218 -7.022 -5.274 897 HG3 ARG 717 1HG ARG 717 1.729 -7.574 -6.075 898 HD2 ARG 717 2HD ARG 717 3.599 -8.516 -7.241 899 HD3 ARG 717 1HD ARG 717 2.939 -7.230 -8.252 900 HE ARG 717 HE ARG 717 5.026 -6.283 -6.581 901 HH12 ARG 717 1HH ARG 717 5.980 -7.754 -10.228 902 HH21 ARG 717 2HH ARG 717 7.549 -6.493 -9.019 903 H TRP 718 H TRP 718 0.498 -6.275 -3.187 904 HA TRP 718 HA TRP 718 2.720 -5.317 -1.496 905 HB2 TRP 718 2HB TRP 718 0.366 -4.420 -1.058 906 HB3 TRP 718 1HB TRP 718 -0.083 -6.053 -0.658 907 HD1 TRP 718 HD TRP 718 1.523 -7.104 1.473 908 HE1 TRP 718 1HE TRP 718 2.067 -5.856 3.674 909 HE3 TRP 718 3HE TRP 718 0.672 -2.327 -0.046 910 HZ2 TRP 718 2HZ TRP 718 2.166 -3.242 4.591 911 HZ3 TRP 718 3HZ TRP 718 0.997 -0.507 1.585 912 HH2 TRP 718 HH TRP 718 1.724 -0.968 3.832 913 H TYR 719 H TYR 719 4.054 -7.031 -1.106 914 HA TYR 719 HA TYR 719 2.939 -9.749 -0.987 915 HB2 TYR 719 2HB TYR 719 5.790 -8.755 -0.829 916 HB3 TYR 719 1HB TYR 719 5.329 -10.442 -0.671 917 HD1 TYR 719 2HD TYR 719 4.413 -11.644 -2.612 918 HD2 TYR 719 1HD TYR 719 5.929 -7.691 -2.966 919 HE1 TYR 719 2HE TYR 719 4.596 -11.943 -5.038 920 HE2 TYR 719 1HE TYR 719 6.109 -7.978 -5.400 921 HH TYR 719 HH TYR 719 4.649 -10.560 -7.029 922 H THR 720 H THR 720 2.000 -10.255 0.927 923 HA THR 720 HA THR 720 3.628 -9.856 3.287 924 HB THR 720 HB THR 720 2.122 -7.914 3.325 925 HG1 THR 720 1HG THR 720 2.118 -8.236 5.387 926 HG21 THR 720 2HG THR 720 0.271 -8.839 2.011 927 H SER 721 H SER 721 3.469 -11.413 4.772 928 HA SER 721 HA SER 721 2.231 -13.849 4.061 929 HB2 SER 721 2HB SER 721 3.603 -12.907 6.575 930 HB3 SER 721 1HB SER 721 3.143 -14.600 6.281 931 HG SER 721 HG SER 721 4.510 -14.482 4.403 932 H TYR 722 H TYR 722 1.192 -11.057 5.885 933 HA TYR 722 HA TYR 722 -0.698 -12.352 7.545 934 HB2 TYR 722 2HB TYR 722 -0.369 -9.463 6.764 935 HB3 TYR 722 1HB TYR 722 -1.530 -10.033 7.922 936 HD1 TYR 722 1HD TYR 722 -0.716 -11.198 10.026 937 HD2 TYR 722 2HD TYR 722 1.911 -9.103 7.425 938 HE1 TYR 722 1HE TYR 722 0.956 -11.076 11.825 939 HE2 TYR 722 2HE TYR 722 3.596 -8.985 9.229 940 HH TYR 722 HH TYR 722 3.455 -10.863 11.936 941 H ALA 723 H ALA 723 -0.778 -11.640 4.254 942 HA ALA 723 HA ALA 723 -3.708 -11.432 4.219 943 HB1 ALA 723 1HB ALA 723 -3.477 -10.791 1.887 944 HB2 ALA 723 2HB ALA 723 -1.744 -11.070 1.966 945 HB3 ALA 723 3HB ALA 723 -2.468 -9.762 2.908 946 H CYS 724 H CYS 724 -1.707 -13.827 4.477 947 HA CYS 724 HA CYS 724 -2.784 -15.330 2.226 948 HB2 CYS 724 2HB CYS 724 -0.350 -15.151 2.305 949 HB3 CYS 724 1HB CYS 724 -0.352 -15.924 3.888 950 HA PRO 725 HA PRO 725 -4.934 -17.741 5.386 951 HB2 PRO 725 2HB PRO 725 -5.921 -19.345 3.158 952 HB3 PRO 725 1HB PRO 725 -6.843 -18.284 4.224 953 HG2 PRO 725 2HG PRO 725 -6.425 -17.748 1.598 954 HG3 PRO 725 1HG PRO 725 -6.608 -16.477 2.818 955 HD2 PRO 725 2HD PRO 725 -4.115 -17.552 1.561 956 HD3 PRO 725 1HD PRO 725 -4.579 -15.876 1.950 Start of MODEL 20 1 H1 GLU 578 1HT GLU 578 -19.003 -1.873 -3.619 2 H2 GLU 578 2HT GLU 578 -20.007 -0.505 -3.711 3 H3 GLU 578 3HT GLU 578 -18.879 -0.642 -2.474 4 HA GLU 578 HA GLU 578 -18.133 0.869 -4.189 5 HB2 GLU 578 2HB GLU 578 -16.611 -0.676 -2.796 6 HB3 GLU 578 1HB GLU 578 -16.537 -1.715 -4.199 7 HG2 GLU 578 2HG GLU 578 -15.534 1.141 -4.075 8 HG3 GLU 578 1HG GLU 578 -14.540 -0.293 -3.906 9 H ALA 579 H ALA 579 -19.138 1.262 -6.080 10 HA ALA 579 HA ALA 579 -19.730 1.211 -8.255 11 HB1 ALA 579 1HB ALA 579 -17.301 1.029 -8.524 12 HB2 ALA 579 2HB ALA 579 -18.169 0.215 -9.825 13 HB3 ALA 579 3HB ALA 579 -17.438 -0.727 -8.525 14 H GLU 580 H GLU 580 -20.932 -0.836 -6.460 15 HA GLU 580 HA GLU 580 -22.367 -2.561 -6.482 16 HB2 GLU 580 2HB GLU 580 -23.439 -1.454 -8.411 17 HB3 GLU 580 1HB GLU 580 -22.315 -2.244 -9.508 18 HG2 GLU 580 2HG GLU 580 -23.284 -4.406 -8.961 19 HG3 GLU 580 1HG GLU 580 -24.355 -3.650 -7.789 20 H ALA 581 H ALA 581 -22.217 -4.775 -6.295 21 HA ALA 581 HA ALA 581 -19.597 -5.751 -6.864 22 HB1 ALA 581 1HB ALA 581 -20.175 -7.670 -5.515 23 HB2 ALA 581 2HB ALA 581 -21.869 -7.176 -5.492 24 HB3 ALA 581 3HB ALA 581 -20.653 -6.186 -4.688 25 H GLU 582 H GLU 582 -19.614 -5.825 -9.088 26 HA GLU 582 HA GLU 582 -21.297 -7.655 -10.510 27 HB2 GLU 582 2HB GLU 582 -18.641 -6.386 -11.262 28 HB3 GLU 582 1HB GLU 582 -19.629 -7.330 -12.363 29 HG2 GLU 582 2HG GLU 582 -21.415 -5.700 -12.217 30 HG3 GLU 582 1HG GLU 582 -20.502 -4.774 -11.029 31 H PHE 583 H PHE 583 -21.094 -9.782 -10.571 32 HA PHE 583 HA PHE 583 -20.476 -11.854 -9.996 33 HB2 PHE 583 2HB PHE 583 -17.622 -10.792 -10.058 34 HB3 PHE 583 1HB PHE 583 -18.062 -12.493 -9.980 35 HD1 PHE 583 1HD PHE 583 -19.141 -13.557 -11.954 36 HD2 PHE 583 2HD PHE 583 -17.580 -9.607 -12.097 37 HE1 PHE 583 1HE PHE 583 -19.130 -13.654 -14.411 38 HE2 PHE 583 2HE PHE 583 -17.567 -9.694 -14.555 39 HZ PHE 583 HZ PHE 583 -18.342 -11.725 -15.714 40 H LEU 584 H LEU 584 -21.278 -12.235 -8.054 41 HA LEU 584 HA LEU 584 -20.529 -10.716 -5.790 42 HB2 LEU 584 2HB LEU 584 -22.200 -13.227 -5.908 43 HB3 LEU 584 1HB LEU 584 -21.933 -12.321 -4.439 44 HG LEU 584 HG LEU 584 -23.038 -10.354 -5.613 45 HD13 LEU 584 1HD LEU 584 -23.884 -12.484 -7.558 46 HD21 LEU 584 2HD LEU 584 -25.304 -11.200 -5.168 47 H SER 585 H SER 585 -18.543 -10.821 -5.340 48 HA SER 585 HA SER 585 -17.428 -13.189 -4.063 49 HB2 SER 585 2HB SER 585 -15.335 -12.824 -5.446 50 HB3 SER 585 1HB SER 585 -16.715 -13.450 -6.351 51 HG SER 585 HG SER 585 -17.125 -11.434 -7.140 52 H ARG 586 H ARG 586 -18.424 -10.503 -3.349 53 HA ARG 586 HA ARG 586 -15.993 -9.047 -2.557 54 HB2 ARG 586 2HB ARG 586 -18.734 -8.119 -3.276 55 HB3 ARG 586 1HB ARG 586 -17.780 -7.183 -2.158 56 HG2 ARG 586 2HG ARG 586 -17.695 -6.333 -4.456 57 HG3 ARG 586 1HG ARG 586 -16.111 -6.791 -3.848 58 HD2 ARG 586 2HD ARG 586 -16.074 -8.707 -5.118 59 HD3 ARG 586 1HD ARG 586 -17.788 -8.576 -5.601 60 HE ARG 586 HE ARG 586 -16.623 -6.262 -6.405 61 HH12 ARG 586 1HH ARG 586 -15.311 -9.303 -8.710 62 HH21 ARG 586 2HH ARG 586 -15.258 -7.114 -9.493 63 H THR 587 H THR 587 -15.651 -8.655 -0.503 64 HA THR 587 HA THR 587 -17.923 -8.601 1.261 65 HB THR 587 HB THR 587 -16.618 -10.799 1.628 66 HG1 THR 587 1HG THR 587 -16.243 -10.086 4.033 67 HG21 THR 587 2HG THR 587 -14.538 -8.875 2.648 68 H GLU 588 H GLU 588 -17.805 -6.797 2.623 69 HA GLU 588 HA GLU 588 -15.368 -5.229 2.298 70 HB2 GLU 588 2HB GLU 588 -17.417 -4.086 1.492 71 HB3 GLU 588 1HB GLU 588 -18.128 -4.243 3.092 72 HG2 GLU 588 2HG GLU 588 -16.356 -2.832 4.021 73 HG3 GLU 588 1HG GLU 588 -15.634 -2.685 2.425 74 H GLY 589 H GLY 589 -14.103 -5.134 3.920 75 HA2 GLY 589 2HA GLY 589 -14.965 -6.202 6.456 76 HA3 GLY 589 1HA GLY 589 -13.317 -5.952 5.903 77 H ASP 590 H ASP 590 -14.120 -5.196 8.335 78 HA ASP 590 HA ASP 590 -14.703 -2.357 8.286 79 HB2 ASP 590 2HB ASP 590 -14.257 -4.262 10.603 80 HB3 ASP 590 1HB ASP 590 -14.750 -2.574 10.742 81 H ASN 591 H ASN 591 -13.212 -1.655 10.578 82 HA ASN 591 HA ASN 591 -10.971 -0.526 9.459 83 HB2 ASN 591 2HB ASN 591 -11.623 -1.074 12.339 84 HB3 ASN 591 1HB ASN 591 -10.170 -0.210 11.851 85 HD21 ASN 591 2HD ASN 591 -11.779 2.787 11.223 86 H CYS 592 H CYS 592 -9.556 -1.699 8.408 87 HA CYS 592 HA CYS 592 -7.520 -2.681 8.131 88 HB2 CYS 592 2HB CYS 592 -7.656 -2.862 11.078 89 HB3 CYS 592 1HB CYS 592 -6.227 -3.387 10.150 90 H THR 593 H THR 593 -10.174 -4.269 8.688 91 HA THR 593 HA THR 593 -8.787 -6.849 8.746 92 HB THR 593 HB THR 593 -10.683 -7.736 10.135 93 HG1 THR 593 1HG THR 593 -11.902 -5.708 9.664 94 HG21 THR 593 2HG THR 593 -9.779 -6.920 12.283 95 H VAL 594 H VAL 594 -9.703 -8.367 7.491 96 HA VAL 594 HA VAL 594 -12.232 -7.640 6.329 97 HB VAL 594 HB VAL 594 -10.488 -7.108 4.683 98 HG13 VAL 594 1HG VAL 594 -9.809 -10.028 4.764 99 HG21 VAL 594 2HG VAL 594 -12.679 -7.729 3.909 100 H PHE 595 H PHE 595 -13.668 -9.071 6.817 101 HA PHE 595 HA PHE 595 -12.765 -11.824 6.885 102 HB2 PHE 595 2HB PHE 595 -13.669 -11.201 9.061 103 HB3 PHE 595 1HB PHE 595 -15.140 -10.586 8.314 104 HD1 PHE 595 2HD PHE 595 -13.227 -13.749 7.864 105 HD2 PHE 595 1HD PHE 595 -16.917 -11.936 8.933 106 HE1 PHE 595 2HE PHE 595 -14.226 -15.948 8.033 107 HE2 PHE 595 1HE PHE 595 -17.946 -14.164 9.116 108 HZ PHE 595 HZ PHE 595 -16.585 -16.180 8.668 109 H ASP 596 H ASP 596 -13.414 -13.118 5.429 110 HA ASP 596 HA ASP 596 -15.442 -12.162 3.517 111 HB2 ASP 596 2HB ASP 596 -13.023 -12.543 2.800 112 HB3 ASP 596 1HB ASP 596 -13.315 -14.220 3.148 113 H SER 597 H SER 597 -17.298 -13.141 3.548 114 HA SER 597 HA SER 597 -17.755 -15.349 5.223 115 HB2 SER 597 2HB SER 597 -20.076 -15.190 4.208 116 HB3 SER 597 1HB SER 597 -19.478 -13.745 5.023 117 HG SER 597 HG SER 597 -20.470 -13.399 2.972 118 H GLN 598 H GLN 598 -17.149 -15.044 1.770 119 HA GLN 598 HA GLN 598 -18.051 -17.693 1.176 120 HB2 GLN 598 2HB GLN 598 -16.987 -17.320 -0.941 121 HB3 GLN 598 1HB GLN 598 -18.099 -15.966 -0.590 122 HG2 GLN 598 2HG GLN 598 -15.986 -14.824 0.252 123 HG3 GLN 598 1HG GLN 598 -15.113 -16.134 -0.508 124 HE21 GLN 598 2HE GLN 598 -15.322 -13.024 -2.550 125 H ALA 599 H ALA 599 -15.027 -16.146 2.049 126 HA ALA 599 HA ALA 599 -13.540 -18.504 1.430 127 HB1 ALA 599 1HB ALA 599 -11.566 -17.244 2.192 128 HB2 ALA 599 2HB ALA 599 -12.613 -16.060 2.920 129 HB3 ALA 599 3HB ALA 599 -12.573 -16.208 1.155 130 H GLY 600 H GLY 600 -15.144 -17.044 4.056 131 HA2 GLY 600 2HA GLY 600 -15.701 -17.763 6.148 132 HA3 GLY 600 1HA GLY 600 -15.107 -19.352 5.693 133 H PHE 601 H PHE 601 -13.009 -16.574 5.537 134 HA PHE 601 HA PHE 601 -11.810 -17.278 8.078 135 HB2 PHE 601 2HB PHE 601 -10.767 -18.703 6.281 136 HB3 PHE 601 1HB PHE 601 -10.206 -17.225 5.511 137 HD1 PHE 601 2HD PHE 601 -10.075 -19.037 8.753 138 HD2 PHE 601 1HD PHE 601 -8.106 -16.429 6.047 139 HE1 PHE 601 2HE PHE 601 -8.051 -19.132 10.143 140 HE2 PHE 601 1HE PHE 601 -6.086 -16.515 7.422 141 HZ PHE 601 HZ PHE 601 -6.050 -17.869 9.474 142 H SER 602 H SER 602 -10.508 -15.581 8.930 143 HA SER 602 HA SER 602 -11.098 -13.015 7.680 144 HB2 SER 602 2HB SER 602 -10.925 -12.163 10.049 145 HB3 SER 602 1HB SER 602 -12.270 -13.267 9.737 146 HG SER 602 HG SER 602 -9.982 -13.610 11.259 147 H PHE 603 H PHE 603 -9.541 -11.397 7.672 148 HA PHE 603 HA PHE 603 -6.821 -12.127 8.448 149 HB2 PHE 603 2HB PHE 603 -7.680 -10.896 5.816 150 HB3 PHE 603 1HB PHE 603 -6.019 -10.933 6.377 151 HD1 PHE 603 2HD PHE 603 -8.832 -13.002 5.056 152 HD2 PHE 603 1HD PHE 603 -4.730 -12.954 6.285 153 HE1 PHE 603 2HE PHE 603 -8.479 -15.165 3.999 154 HE2 PHE 603 1HE PHE 603 -4.399 -15.131 5.215 155 HZ PHE 603 HZ PHE 603 -6.273 -16.240 4.067 156 H ASP 604 H ASP 604 -5.726 -10.498 9.467 157 HA ASP 604 HA ASP 604 -6.935 -7.779 9.557 158 HB2 ASP 604 2HB ASP 604 -6.347 -7.555 11.849 159 HB3 ASP 604 1HB ASP 604 -7.184 -9.087 11.726 160 H LEU 605 H LEU 605 -5.866 -6.358 8.678 161 HA LEU 605 HA LEU 605 -3.011 -6.744 8.356 162 HB2 LEU 605 2HB LEU 605 -5.004 -5.103 6.800 163 HB3 LEU 605 1HB LEU 605 -3.284 -4.871 6.608 164 HG LEU 605 HG LEU 605 -4.171 -6.184 4.799 165 HD13 LEU 605 1HD LEU 605 -2.702 -8.142 4.897 166 HD21 LEU 605 2HD LEU 605 -5.027 -8.215 6.855 167 H THR 606 H THR 606 -4.606 -5.742 10.606 168 HA THR 606 HA THR 606 -4.505 -3.042 11.110 169 HB THR 606 HB THR 606 -4.144 -5.093 13.256 170 HG1 THR 606 1HG THR 606 -6.039 -6.027 12.774 171 HG21 THR 606 2HG THR 606 -6.121 -2.949 12.700 172 HA PRO 607 HA PRO 607 -0.178 -3.915 13.413 173 HB2 PRO 607 2HB PRO 607 1.246 -6.027 12.363 174 HB3 PRO 607 1HB PRO 607 0.266 -6.115 13.835 175 HG2 PRO 607 2HG PRO 607 -0.413 -6.955 11.052 176 HG3 PRO 607 1HG PRO 607 -0.741 -7.772 12.581 177 HD2 PRO 607 2HD PRO 607 -2.662 -6.396 11.332 178 HD3 PRO 607 1HD PRO 607 -2.511 -6.368 13.101 179 H LEU 608 H LEU 608 -0.854 -4.305 10.098 180 HA LEU 608 HA LEU 608 1.726 -3.693 9.019 181 HB2 LEU 608 2HB LEU 608 -1.030 -3.848 7.846 182 HB3 LEU 608 1HB LEU 608 0.361 -3.385 6.871 183 HG LEU 608 HG LEU 608 -0.235 -5.702 6.473 184 HD13 LEU 608 1HD LEU 608 1.854 -6.792 6.981 185 HD21 LEU 608 2HD LEU 608 -1.315 -6.076 8.675 186 H THR 609 H THR 609 -0.655 -1.798 10.451 187 HA THR 609 HA THR 609 -0.390 0.629 8.873 188 HB THR 609 HB THR 609 -1.271 0.296 11.756 189 HG1 THR 609 1HG THR 609 -2.806 0.224 9.366 190 HG21 THR 609 2HG THR 609 -1.945 2.382 9.677 191 H LYS 610 H LYS 610 1.011 2.244 8.975 192 HA LYS 610 HA LYS 610 2.844 2.302 11.256 193 HB2 LYS 610 2HB LYS 610 3.620 2.601 8.355 194 HB3 LYS 610 1HB LYS 610 4.645 2.974 9.727 195 HG2 LYS 610 2HG LYS 610 4.463 0.608 10.423 196 HG3 LYS 610 1HG LYS 610 3.578 0.283 8.940 197 HD2 LYS 610 2HD LYS 610 5.482 0.979 7.609 198 HD3 LYS 610 1HD LYS 610 6.376 1.409 9.071 199 HE2 LYS 610 2HE LYS 610 5.418 -1.363 8.334 200 HE3 LYS 610 1HE LYS 610 7.075 -0.783 8.194 201 HZ1 LYS 610 3HZ LYS 610 5.527 -1.045 10.709 202 HZ2 LYS 610 1HZ LYS 610 7.089 -0.446 10.603 203 HZ3 LYS 610 2HZ LYS 610 6.781 -2.067 10.213 204 H LYS 611 H LYS 611 3.324 4.315 11.970 205 HA LYS 611 HA LYS 611 1.737 6.516 11.090 206 HB2 LYS 611 2HB LYS 611 2.695 6.057 13.432 207 HB3 LYS 611 1HB LYS 611 4.200 6.657 12.807 208 HG2 LYS 611 2HG LYS 611 3.042 8.451 13.993 209 HG3 LYS 611 1HG LYS 611 3.199 8.826 12.273 210 HD2 LYS 611 2HD LYS 611 0.892 8.102 11.894 211 HD3 LYS 611 1HD LYS 611 0.735 7.681 13.598 212 HE2 LYS 611 2HE LYS 611 1.059 10.029 14.190 213 HE3 LYS 611 1HE LYS 611 1.256 10.435 12.486 214 HZ1 LYS 611 3HZ LYS 611 -1.018 9.697 12.083 215 HZ2 LYS 611 1HZ LYS 611 -1.018 10.875 13.287 216 HZ3 LYS 611 2HZ LYS 611 -1.194 9.265 13.689 217 H ASP 612 H ASP 612 4.981 5.490 10.823 218 HA ASP 612 HA ASP 612 6.100 7.667 9.341 219 HB2 ASP 612 2HB ASP 612 7.542 6.103 10.546 220 HB3 ASP 612 1HB ASP 612 7.005 4.783 9.520 221 H ALA 613 H ALA 613 4.221 4.975 8.514 222 HA ALA 613 HA ALA 613 3.088 4.354 6.678 223 HB1 ALA 613 1HB ALA 613 2.664 6.734 6.327 224 HB2 ALA 613 2HB ALA 613 2.834 5.869 4.794 225 HB3 ALA 613 3HB ALA 613 4.146 6.872 5.389 226 H TYR 614 H TYR 614 3.434 4.019 4.177 227 HA TYR 614 HA TYR 614 6.087 2.834 3.872 228 HB2 TYR 614 2HB TYR 614 3.415 2.115 2.658 229 HB3 TYR 614 1HB TYR 614 4.945 1.383 2.193 230 HD1 TYR 614 2HD TYR 614 2.689 1.881 5.164 231 HD2 TYR 614 1HD TYR 614 5.739 -0.484 3.329 232 HE1 TYR 614 2HE TYR 614 2.431 0.250 6.878 233 HE2 TYR 614 1HE TYR 614 5.478 -2.160 5.074 234 HH TYR 614 HH TYR 614 2.819 -2.026 7.269 235 H LYS 615 H LYS 615 7.284 3.538 2.208 236 HA LYS 615 HA LYS 615 5.974 5.314 0.282 237 HB2 LYS 615 2HB LYS 615 7.618 6.513 1.600 238 HB3 LYS 615 1HB LYS 615 8.876 5.390 1.231 239 HG2 LYS 615 2HG LYS 615 8.250 5.962 -1.205 240 HG3 LYS 615 1HG LYS 615 7.549 7.421 -0.512 241 HD2 LYS 615 2HD LYS 615 10.356 6.346 -0.208 242 HD3 LYS 615 1HD LYS 615 9.955 7.794 -1.146 243 HE2 LYS 615 2HE LYS 615 9.351 8.897 0.954 244 HE3 LYS 615 1HE LYS 615 9.716 7.417 1.845 245 HZ1 LYS 615 3HZ LYS 615 11.525 8.969 1.979 246 HZ2 LYS 615 1HZ LYS 615 11.674 9.038 0.293 247 HZ3 LYS 615 2HZ LYS 615 11.999 7.608 1.128 248 H VAL 616 H VAL 616 5.976 4.633 -1.678 249 HA VAL 616 HA VAL 616 7.762 2.462 -2.544 250 HB VAL 616 HB VAL 616 5.484 3.760 -3.982 251 HG13 VAL 616 1HG VAL 616 6.992 2.581 -5.469 252 HG21 VAL 616 2HG VAL 616 4.602 2.766 -1.960 253 H GLU 617 H GLU 617 9.307 2.990 -3.991 254 HA GLU 617 HA GLU 617 9.423 5.809 -4.819 255 HB2 GLU 617 2HB GLU 617 11.687 3.915 -4.245 256 HB3 GLU 617 1HB GLU 617 11.862 5.559 -4.836 257 HG2 GLU 617 2HG GLU 617 10.849 6.412 -2.811 258 HG3 GLU 617 1HG GLU 617 10.624 4.767 -2.219 259 H THR 618 H THR 618 9.606 6.268 -6.927 260 HA THR 618 HA THR 618 10.281 4.053 -8.664 261 HB THR 618 HB THR 618 8.920 5.227 -10.395 262 HG1 THR 618 1HG THR 618 7.556 6.912 -9.671 263 HG21 THR 618 2HG THR 618 7.829 3.505 -8.995 264 H ASP 619 H ASP 619 10.724 5.732 -10.891 265 HA ASP 619 HA ASP 619 13.348 6.567 -10.292 266 HB2 ASP 619 2HB ASP 619 11.694 7.069 -12.762 267 HB3 ASP 619 1HB ASP 619 13.404 7.453 -12.619 268 H LYS 620 H LYS 620 10.320 8.363 -10.631 269 HA LYS 620 HA LYS 620 11.796 10.705 -9.581 270 HB2 LYS 620 2HB LYS 620 9.602 11.014 -11.638 271 HB3 LYS 620 1HB LYS 620 10.545 12.278 -10.953 272 HG2 LYS 620 2HG LYS 620 11.380 12.070 -13.116 273 HG3 LYS 620 1HG LYS 620 12.556 11.184 -12.152 274 HD2 LYS 620 2HD LYS 620 11.987 9.958 -14.204 275 HD3 LYS 620 1HD LYS 620 11.466 9.075 -12.765 276 HE2 LYS 620 2HE LYS 620 9.170 9.846 -13.093 277 HE3 LYS 620 1HE LYS 620 9.672 10.822 -14.467 278 HZ1 LYS 620 3HZ LYS 620 9.835 7.854 -14.327 279 HZ2 LYS 620 1HZ LYS 620 10.175 8.812 -15.677 280 HZ3 LYS 620 2HZ LYS 620 8.608 8.726 -15.065 281 H TYR 621 H TYR 621 9.344 8.624 -8.945 282 HA TYR 621 HA TYR 621 8.039 10.732 -7.415 283 HB2 TYR 621 2HB TYR 621 6.675 8.478 -8.918 284 HB3 TYR 621 1HB TYR 621 5.870 9.483 -7.723 285 HD1 TYR 621 1HD TYR 621 7.841 9.787 -10.870 286 HD2 TYR 621 2HD TYR 621 4.730 11.402 -8.469 287 HE1 TYR 621 1HE TYR 621 7.379 11.414 -12.606 288 HE2 TYR 621 2HE TYR 621 4.244 13.053 -10.215 289 HH TYR 621 HH TYR 621 5.363 14.133 -12.147 290 H GLU 622 H GLU 622 6.888 9.960 -5.561 291 HA GLU 622 HA GLU 622 7.664 7.358 -4.638 292 HB2 GLU 622 2HB GLU 622 8.319 8.213 -2.457 293 HB3 GLU 622 1HB GLU 622 9.341 8.935 -3.689 294 HG2 GLU 622 2HG GLU 622 7.816 10.931 -3.603 295 HG3 GLU 622 1HG GLU 622 7.027 10.149 -2.274 296 H PHE 623 H PHE 623 6.056 6.458 -3.591 297 HA PHE 623 HA PHE 623 3.664 8.101 -3.328 298 HB2 PHE 623 2HB PHE 623 3.846 5.105 -3.811 299 HB3 PHE 623 1HB PHE 623 2.357 6.015 -3.652 300 HD1 PHE 623 1HD PHE 623 5.392 5.659 -5.782 301 HD2 PHE 623 2HD PHE 623 1.332 6.955 -5.573 302 HE1 PHE 623 1HE PHE 623 5.363 5.998 -8.212 303 HE2 PHE 623 2HE PHE 623 1.318 7.299 -7.976 304 HZ PHE 623 HZ PHE 623 3.326 6.819 -9.313 305 H HIS 624 H HIS 624 3.000 8.325 -1.227 306 HA HIS 624 HA HIS 624 3.961 6.359 0.718 307 HB2 HIS 624 2HB HIS 624 2.972 9.174 1.110 308 HB3 HIS 624 1HB HIS 624 3.346 8.063 2.417 309 HD1 HIS 624 1HD HIS 624 5.829 7.690 2.976 310 HD2 HIS 624 2HD HIS 624 5.167 10.247 -0.236 311 HE1 HIS 624 1HE HIS 624 7.987 8.712 2.524 312 HE2 HIS 624 2HE HIS 624 7.638 10.152 0.464 313 H ILE 625 H ILE 625 2.551 5.028 1.471 314 HA ILE 625 HA ILE 625 -0.233 5.862 1.652 315 HB ILE 625 HB ILE 625 -1.040 3.710 0.872 316 HG12 ILE 625 1HG ILE 625 1.867 3.009 0.519 317 HG23 ILE 625 2HG ILE 625 0.917 4.839 -1.135 318 HD11 ILE 625 1HD ILE 625 0.519 2.046 -1.368 319 H ASN 626 H ASN 626 -1.299 4.756 3.255 320 HA ASN 626 HA ASN 626 0.387 3.130 5.032 321 HB2 ASN 626 2HB ASN 626 0.116 5.401 5.997 322 HB3 ASN 626 1HB ASN 626 -1.632 5.215 5.920 323 HD21 ASN 626 2HD ASN 626 -1.375 4.270 9.259 324 H VAL 627 H VAL 627 -0.702 1.472 6.107 325 HA VAL 627 HA VAL 627 -3.162 0.577 4.830 326 HB VAL 627 HB VAL 627 -1.574 -0.695 7.085 327 HG13 VAL 627 1HG VAL 627 -3.890 -1.432 6.989 328 HG21 VAL 627 2HG VAL 627 -0.226 -0.529 5.083 329 H CYS 628 H CYS 628 -4.872 1.547 5.465 330 HA CYS 628 HA CYS 628 -6.643 2.089 6.740 331 HB2 CYS 628 2HB CYS 628 -4.967 1.285 9.099 332 HB3 CYS 628 1HB CYS 628 -6.649 1.725 9.201 333 H GLY 629 H GLY 629 -7.304 3.908 7.551 334 HA2 GLY 629 2HA GLY 629 -7.322 6.005 8.570 335 HA3 GLY 629 1HA GLY 629 -5.776 5.611 9.283 336 HA PRO 630 HA PRO 630 -4.678 8.620 6.240 337 HB2 PRO 630 2HB PRO 630 -3.615 10.342 7.916 338 HB3 PRO 630 1HB PRO 630 -5.362 10.183 7.696 339 HG2 PRO 630 2HG PRO 630 -3.656 9.227 9.969 340 HG3 PRO 630 1HG PRO 630 -5.362 9.762 9.990 341 HD2 PRO 630 2HD PRO 630 -4.235 7.164 9.900 342 HD3 PRO 630 1HD PRO 630 -5.951 7.624 9.837 343 H VAL 631 H VAL 631 -2.618 9.457 5.686 344 HA VAL 631 HA VAL 631 -0.399 7.815 6.603 345 HB VAL 631 HB VAL 631 -1.004 7.787 4.181 346 HG13 VAL 631 1HG VAL 631 -0.138 10.666 4.052 347 HG21 VAL 631 2HG VAL 631 1.184 7.147 4.759 348 H SER 632 H SER 632 1.219 8.815 7.729 349 HA SER 632 HA SER 632 0.849 11.659 8.090 350 HB2 SER 632 2HB SER 632 0.908 10.360 10.160 351 HB3 SER 632 1HB SER 632 2.490 9.711 9.738 352 HG SER 632 HG SER 632 3.366 11.433 10.467 353 H VAL 633 H VAL 633 1.649 12.111 6.049 354 HA VAL 633 HA VAL 633 4.595 11.986 5.859 355 HB VAL 633 HB VAL 633 2.717 12.851 3.660 356 HG13 VAL 633 1HG VAL 633 5.051 13.479 3.376 357 HG21 VAL 633 2HG VAL 633 2.074 10.642 4.273 358 H GLY 634 H GLY 634 5.724 13.897 5.846 359 HA2 GLY 634 2HA GLY 634 4.327 16.231 6.773 360 HA3 GLY 634 1HA GLY 634 6.053 16.099 6.482 361 H ALA 635 H ALA 635 4.098 15.116 3.875 362 HA ALA 635 HA ALA 635 4.343 17.753 2.590 363 HB1 ALA 635 1HB ALA 635 6.166 16.317 1.799 364 HB2 ALA 635 2HB ALA 635 5.020 16.666 0.505 365 HB3 ALA 635 3HB ALA 635 4.993 15.095 1.310 366 H CYS 636 H CYS 636 2.235 15.610 3.753 367 HA CYS 636 HA CYS 636 0.285 16.146 1.679 368 HB2 CYS 636 2HB CYS 636 0.825 13.442 2.914 369 HB3 CYS 636 1HB CYS 636 -0.507 13.821 1.833 370 HA PRO 637 HA PRO 637 -2.167 17.202 5.178 371 HB2 PRO 637 2HB PRO 637 -4.677 16.620 4.251 372 HB3 PRO 637 1HB PRO 637 -3.768 18.052 3.754 373 HG2 PRO 637 2HG PRO 637 -4.108 15.434 2.350 374 HG3 PRO 637 1HG PRO 637 -4.140 17.075 1.684 375 HD2 PRO 637 2HD PRO 637 -1.974 15.476 1.487 376 HD3 PRO 637 1HD PRO 637 -1.834 17.238 1.644 377 HA PRO 638 HA PRO 638 -2.697 13.385 7.489 378 HB2 PRO 638 2HB PRO 638 -4.573 14.966 9.140 379 HB3 PRO 638 1HB PRO 638 -3.123 14.088 9.632 380 HG2 PRO 638 2HG PRO 638 -3.124 16.746 9.513 381 HG3 PRO 638 1HG PRO 638 -1.706 15.813 9.005 382 HD2 PRO 638 2HD PRO 638 -3.797 17.152 7.340 383 HD3 PRO 638 1HD PRO 638 -2.035 17.051 7.109 384 H ASP 639 H ASP 639 -5.208 15.054 5.960 385 HA ASP 639 HA ASP 639 -7.297 13.204 6.637 386 HB2 ASP 639 2HB ASP 639 -7.164 15.364 4.542 387 HB3 ASP 639 1HB ASP 639 -8.565 14.326 4.784 388 H SER 640 H SER 640 -4.653 12.983 4.609 389 HA SER 640 HA SER 640 -6.096 11.195 2.819 390 HB2 SER 640 2HB SER 640 -4.106 11.339 1.336 391 HB3 SER 640 1HB SER 640 -4.818 12.918 1.645 392 HG SER 640 HG SER 640 -3.101 13.007 3.404 393 H GLY 641 H GLY 641 -5.528 9.095 2.566 394 HA2 GLY 641 2HA GLY 641 -3.695 7.993 4.599 395 HA3 GLY 641 1HA GLY 641 -4.988 7.096 3.806 396 H ALA 642 H ALA 642 -4.061 8.574 1.291 397 HA ALA 642 HA ALA 642 -1.480 7.309 0.745 398 HB1 ALA 642 1HB ALA 642 -3.073 5.616 0.020 399 HB2 ALA 642 2HB ALA 642 -2.378 6.418 -1.379 400 HB3 ALA 642 3HB ALA 642 -4.005 6.845 -0.865 401 H CYS 643 H CYS 643 -0.270 8.690 -0.130 402 HA CYS 643 HA CYS 643 -1.374 10.764 -1.816 403 HB2 CYS 643 2HB CYS 643 -1.389 11.778 0.352 404 HB3 CYS 643 1HB CYS 643 0.252 11.238 0.670 405 H GLN 644 H GLN 644 -0.053 11.282 -3.451 406 HA GLN 644 HA GLN 644 2.575 9.971 -3.453 407 HB2 GLN 644 2HB GLN 644 2.562 10.389 -5.832 408 HB3 GLN 644 1HB GLN 644 1.330 9.178 -5.368 409 HG2 GLN 644 2HG GLN 644 -0.341 10.952 -5.603 410 HG3 GLN 644 1HG GLN 644 0.916 12.106 -6.001 411 HE21 GLN 644 2HE GLN 644 -0.813 10.700 -9.032 412 H VAL 645 H VAL 645 4.370 11.131 -3.961 413 HA VAL 645 HA VAL 645 4.020 13.890 -4.595 414 HB VAL 645 HB VAL 645 4.252 13.987 -2.168 415 HG13 VAL 645 1HG VAL 645 6.761 12.384 -2.444 416 HG21 VAL 645 2HG VAL 645 5.407 15.752 -3.389 417 H SER 646 H SER 646 5.413 14.620 -5.970 418 HA SER 646 HA SER 646 7.111 12.716 -7.291 419 HB2 SER 646 2HB SER 646 5.883 14.337 -8.641 420 HB3 SER 646 1HB SER 646 6.653 15.673 -7.782 421 HG SER 646 HG SER 646 7.650 15.153 -9.868 422 H ARG 647 H ARG 647 9.095 12.321 -6.655 423 HA ARG 647 HA ARG 647 10.415 13.957 -4.699 424 HB2 ARG 647 2HB ARG 647 12.235 12.343 -4.755 425 HB3 ARG 647 1HB ARG 647 10.730 11.452 -4.939 426 HG2 ARG 647 2HG ARG 647 11.122 11.392 -7.366 427 HG3 ARG 647 1HG ARG 647 12.709 12.103 -7.077 428 HD2 ARG 647 2HD ARG 647 11.692 9.504 -5.940 429 HD3 ARG 647 1HD ARG 647 12.816 9.682 -7.278 430 HE ARG 647 HE ARG 647 14.110 10.971 -5.340 431 HH12 ARG 647 1HH ARG 647 13.492 7.159 -4.098 432 HH21 ARG 647 2HH ARG 647 15.303 8.405 -3.230 433 H SER 648 H SER 648 10.214 13.849 -8.069 434 HA SER 648 HA SER 648 12.591 15.344 -8.643 435 HB2 SER 648 2HB SER 648 11.586 13.673 -10.228 436 HB3 SER 648 1HB SER 648 10.200 14.734 -10.359 437 HG SER 648 HG SER 648 11.421 15.270 -12.026 438 H ASP 649 H ASP 649 9.084 16.004 -8.561 439 HA ASP 649 HA ASP 649 9.580 18.821 -9.264 440 HB2 ASP 649 2HB ASP 649 6.938 17.367 -9.071 441 HB3 ASP 649 1HB ASP 649 7.188 18.996 -9.669 442 H ARG 650 H ARG 650 8.795 16.949 -6.600 443 HA ARG 650 HA ARG 650 8.136 17.337 -4.485 444 HB2 ARG 650 2HB ARG 650 9.144 20.103 -5.104 445 HB3 ARG 650 1HB ARG 650 8.400 19.751 -3.553 446 HG2 ARG 650 2HG ARG 650 10.794 19.626 -3.332 447 HG3 ARG 650 1HG ARG 650 10.111 18.019 -3.156 448 HD2 ARG 650 2HD ARG 650 10.705 17.592 -5.541 449 HD3 ARG 650 1HD ARG 650 11.525 19.154 -5.565 450 HE ARG 650 HE ARG 650 12.281 17.288 -3.489 451 HH12 ARG 650 1HH ARG 650 14.731 18.172 -6.589 452 HH21 ARG 650 2HH ARG 650 15.530 16.934 -4.748 453 H LYS 651 H LYS 651 6.313 17.656 -6.692 454 HA LYS 651 HA LYS 651 4.158 19.146 -5.390 455 HB2 LYS 651 2HB LYS 651 4.180 17.575 -7.939 456 HB3 LYS 651 1HB LYS 651 2.870 18.587 -7.349 457 HG2 LYS 651 2HG LYS 651 4.503 20.494 -7.422 458 HG3 LYS 651 1HG LYS 651 5.587 19.400 -8.209 459 HD2 LYS 651 2HD LYS 651 4.402 20.608 -9.978 460 HD3 LYS 651 1HD LYS 651 4.037 18.872 -9.921 461 HE2 LYS 651 2HE LYS 651 2.034 20.221 -10.375 462 HE3 LYS 651 1HE LYS 651 1.886 19.278 -8.908 463 HZ1 LYS 651 3HZ LYS 651 2.356 21.315 -7.630 464 HZ2 LYS 651 1HZ LYS 651 1.043 21.520 -8.659 465 HZ3 LYS 651 2HZ LYS 651 2.516 22.179 -9.071 466 H SER 652 H SER 652 2.150 18.038 -5.026 467 HA SER 652 HA SER 652 2.360 15.173 -4.822 468 HB2 SER 652 2HB SER 652 1.685 15.088 -2.452 469 HB3 SER 652 1HB SER 652 3.293 15.709 -2.724 470 HG SER 652 HG SER 652 2.121 16.952 -1.180 471 H TRP 653 H TRP 653 0.445 14.056 -4.386 472 HA TRP 653 HA TRP 653 -2.006 15.575 -4.941 473 HB2 TRP 653 2HB TRP 653 -1.090 13.097 -6.439 474 HB3 TRP 653 1HB TRP 653 -2.658 13.866 -6.619 475 HD1 TRP 653 HD TRP 653 -2.798 15.963 -8.208 476 HE1 TRP 653 1HE TRP 653 -1.169 17.066 -9.842 477 HE3 TRP 653 3HE TRP 653 1.529 13.625 -6.752 478 HZ2 TRP 653 2HZ TRP 653 1.616 16.949 -10.454 479 HZ3 TRP 653 3HZ TRP 653 3.592 14.143 -7.877 480 HH2 TRP 653 HH TRP 653 3.663 15.791 -9.716 481 H ASN 654 H ASN 654 -3.894 14.529 -4.188 482 HA ASN 654 HA ASN 654 -3.412 12.588 -2.056 483 HB2 ASN 654 2HB ASN 654 -4.802 14.761 -1.595 484 HB3 ASN 654 1HB ASN 654 -5.813 14.178 -2.817 485 HD21 ASN 654 2HD ASN 654 -7.768 13.239 -0.120 486 H LEU 655 H LEU 655 -3.956 10.524 -2.295 487 HA LEU 655 HA LEU 655 -5.467 9.816 -4.710 488 HB2 LEU 655 2HB LEU 655 -3.391 8.236 -3.223 489 HB3 LEU 655 1HB LEU 655 -4.197 7.757 -4.699 490 HG LEU 655 HG LEU 655 -2.243 10.017 -4.368 491 HD13 LEU 655 1HD LEU 655 -1.203 7.842 -4.362 492 HD21 LEU 655 2HD LEU 655 -3.948 10.663 -5.977 493 H GLY 656 H GLY 656 -6.131 10.285 -1.701 494 HA2 GLY 656 2HA GLY 656 -8.432 8.957 -1.531 495 HA3 GLY 656 1HA GLY 656 -7.270 7.718 -1.076 496 H ARG 657 H ARG 657 -9.388 9.740 0.216 497 HA ARG 657 HA ARG 657 -7.907 10.950 2.282 498 HB2 ARG 657 2HB ARG 657 -10.833 10.164 2.437 499 HB3 ARG 657 1HB ARG 657 -9.992 11.445 3.291 500 HG2 ARG 657 2HG ARG 657 -9.700 12.649 1.156 501 HG3 ARG 657 1HG ARG 657 -10.633 11.392 0.352 502 HD2 ARG 657 2HD ARG 657 -12.495 11.920 2.023 503 HD3 ARG 657 1HD ARG 657 -11.563 13.361 2.436 504 HE ARG 657 HE ARG 657 -12.480 12.762 -0.290 505 HH12 ARG 657 1HH ARG 657 -12.881 16.390 1.467 506 HH21 ARG 657 2HH ARG 657 -13.554 16.023 -0.816 507 H SER 658 H SER 658 -8.450 10.296 4.604 508 HA SER 658 HA SER 658 -7.340 7.846 5.313 509 HB2 SER 658 2HB SER 658 -7.608 9.759 6.819 510 HB3 SER 658 1HB SER 658 -9.369 9.455 6.788 511 HG SER 658 HG SER 658 -9.004 7.503 7.823 512 H ASN 659 H ASN 659 -8.115 5.815 5.543 513 HA ASN 659 HA ASN 659 -10.869 5.266 5.926 514 HB2 ASN 659 2HB ASN 659 -10.848 5.725 3.529 515 HB3 ASN 659 1HB ASN 659 -9.613 4.489 3.291 516 HD21 ASN 659 2HD ASN 659 -12.224 2.386 2.506 517 H ALA 660 H ALA 660 -11.148 2.934 6.400 518 HA ALA 660 HA ALA 660 -8.667 1.359 6.421 519 HB1 ALA 660 1HB ALA 660 -9.102 0.573 8.704 520 HB2 ALA 660 2HB ALA 660 -10.526 1.609 8.796 521 HB3 ALA 660 3HB ALA 660 -8.918 2.322 8.668 522 H LYS 661 H LYS 661 -11.254 1.395 4.845 523 HA LYS 661 HA LYS 661 -12.532 -1.098 5.649 524 HB2 LYS 661 2HB LYS 661 -13.063 0.465 3.109 525 HB3 LYS 661 1HB LYS 661 -14.091 -0.721 3.883 526 HG2 LYS 661 2HG LYS 661 -13.471 2.000 4.919 527 HG3 LYS 661 1HG LYS 661 -14.960 1.471 4.141 528 HD2 LYS 661 2HD LYS 661 -15.253 -0.167 5.989 529 HD3 LYS 661 1HD LYS 661 -13.832 0.555 6.765 530 HE2 LYS 661 2HE LYS 661 -16.278 2.002 5.930 531 HE3 LYS 661 1HE LYS 661 -15.972 1.493 7.594 532 HZ1 LYS 661 3HZ LYS 661 -15.404 3.828 7.254 533 HZ2 LYS 661 1HZ LYS 661 -14.346 3.458 6.009 534 HZ3 LYS 661 2HZ LYS 661 -14.007 2.969 7.596 535 H LEU 662 H LEU 662 -11.622 -2.949 5.053 536 HA LEU 662 HA LEU 662 -10.094 -3.041 2.556 537 HB2 LEU 662 2HB LEU 662 -10.087 -4.899 4.936 538 HB3 LEU 662 1HB LEU 662 -9.341 -5.328 3.415 539 HG LEU 662 HG LEU 662 -7.821 -3.351 3.698 540 HD13 LEU 662 1HD LEU 662 -8.939 -3.205 6.464 541 HD21 LEU 662 2HD LEU 662 -7.729 -5.426 5.861 542 H SER 663 H SER 663 -10.489 -4.761 1.046 543 HA SER 663 HA SER 663 -13.065 -6.076 1.455 544 HB2 SER 663 2HB SER 663 -12.068 -4.847 -1.129 545 HB3 SER 663 1HB SER 663 -13.594 -5.700 -0.924 546 HG SER 663 HG SER 663 -13.423 -3.858 0.964 547 H TYR 664 H TYR 664 -13.214 -8.132 0.472 548 HA TYR 664 HA TYR 664 -10.581 -9.212 -0.258 549 HB2 TYR 664 2HB TYR 664 -11.944 -10.106 1.887 550 HB3 TYR 664 1HB TYR 664 -12.863 -10.921 0.666 551 HD1 TYR 664 2HD TYR 664 -11.166 -12.072 -1.209 552 HD2 TYR 664 1HD TYR 664 -10.408 -11.490 2.928 553 HE1 TYR 664 2HE TYR 664 -9.558 -13.919 -1.255 554 HE2 TYR 664 1HE TYR 664 -8.786 -13.336 2.884 555 HH TYR 664 HH TYR 664 -8.316 -15.347 1.534 556 H TYR 665 H TYR 665 -10.444 -9.998 -2.215 557 HA TYR 665 HA TYR 665 -12.849 -10.330 -3.791 558 HB2 TYR 665 2HB TYR 665 -10.085 -9.388 -4.548 559 HB3 TYR 665 1HB TYR 665 -11.324 -9.826 -5.729 560 HD1 TYR 665 1HD TYR 665 -13.359 -8.548 -5.907 561 HD2 TYR 665 2HD TYR 665 -10.237 -7.341 -3.318 562 HE1 TYR 665 1HE TYR 665 -14.369 -6.389 -5.753 563 HE2 TYR 665 2HE TYR 665 -11.248 -5.110 -3.133 564 HH TYR 665 HH TYR 665 -14.380 -4.443 -4.159 565 H ASP 666 H ASP 666 -12.815 -12.296 -5.016 566 HA ASP 666 HA ASP 666 -11.628 -14.523 -3.867 567 HB2 ASP 666 2HB ASP 666 -13.446 -14.798 -5.417 568 HB3 ASP 666 1HB ASP 666 -12.502 -14.115 -6.732 569 H GLY 667 H GLY 667 -9.613 -15.116 -3.637 570 HA2 GLY 667 2HA GLY 667 -7.552 -15.812 -4.636 571 HA3 GLY 667 1HA GLY 667 -7.710 -14.465 -5.757 572 H MET 668 H MET 668 -8.270 -12.342 -3.918 573 HA MET 668 HA MET 668 -6.088 -12.305 -2.025 574 HB2 MET 668 2HB MET 668 -4.867 -10.458 -2.996 575 HB3 MET 668 1HB MET 668 -4.802 -11.873 -4.038 576 HG2 MET 668 2HG MET 668 -6.565 -9.446 -4.451 577 HG3 MET 668 1HG MET 668 -5.053 -9.766 -5.290 578 HE1 MET 668 3HE MET 668 -7.830 -9.069 -6.743 579 HE2 MET 668 1HE MET 668 -7.808 -10.225 -8.075 580 HE3 MET 668 2HE MET 668 -6.331 -9.374 -7.626 581 H ILE 669 H ILE 669 -5.784 -10.176 -1.029 582 HA ILE 669 HA ILE 669 -8.394 -9.005 -0.451 583 HB ILE 669 HB ILE 669 -5.733 -8.659 0.970 584 HG12 ILE 669 1HG ILE 669 -8.080 -10.389 1.761 585 HG23 ILE 669 2HG ILE 669 -7.255 -6.797 1.355 586 HD11 ILE 669 1HD ILE 669 -6.601 -11.333 3.425 587 H GLN 670 H GLN 670 -8.795 -6.831 -0.860 588 HA GLN 670 HA GLN 670 -6.567 -5.218 -1.775 589 HB2 GLN 670 2HB GLN 670 -9.211 -5.465 -3.231 590 HB3 GLN 670 1HB GLN 670 -8.050 -4.183 -3.531 591 HG2 GLN 670 2HG GLN 670 -6.420 -5.769 -4.302 592 HG3 GLN 670 1HG GLN 670 -7.505 -7.143 -3.955 593 HE21 GLN 670 2HE GLN 670 -9.517 -5.462 -6.766 594 H LEU 671 H LEU 671 -6.762 -3.063 -1.323 595 HA LEU 671 HA LEU 671 -8.968 -2.426 0.536 596 HB2 LEU 671 2HB LEU 671 -6.610 -2.710 1.507 597 HB3 LEU 671 1HB LEU 671 -6.152 -1.294 0.597 598 HG LEU 671 HG LEU 671 -8.129 -1.395 2.898 599 HD13 LEU 671 1HD LEU 671 -6.434 -0.122 4.114 600 HD21 LEU 671 2HD LEU 671 -8.099 1.059 2.829 601 H THR 672 H THR 672 -10.198 -0.846 -0.165 602 HA THR 672 HA THR 672 -9.351 0.746 -2.465 603 HB THR 672 HB THR 672 -12.112 0.380 -1.265 604 HG1 THR 672 1HG THR 672 -11.557 -0.911 -3.662 605 HG21 THR 672 2HG THR 672 -11.201 1.359 -3.985 606 H TYR 673 H TYR 673 -8.824 2.867 -2.048 607 HA TYR 673 HA TYR 673 -9.685 3.966 0.488 608 HB2 TYR 673 2HB TYR 673 -7.427 4.542 -1.290 609 HB3 TYR 673 1HB TYR 673 -8.112 5.952 -0.472 610 HD1 TYR 673 1HD TYR 673 -8.189 5.994 1.974 611 HD2 TYR 673 2HD TYR 673 -6.085 2.942 -0.092 612 HE1 TYR 673 1HE TYR 673 -7.022 5.460 4.038 613 HE2 TYR 673 2HE TYR 673 -4.883 2.367 1.988 614 HH TYR 673 HH TYR 673 -4.291 3.478 4.209 615 H ARG 674 H ARG 674 -9.794 6.553 0.186 616 HA ARG 674 HA ARG 674 -12.418 6.753 -0.983 617 HB2 ARG 674 2HB ARG 674 -10.861 8.759 0.612 618 HB3 ARG 674 1HB ARG 674 -12.551 8.892 0.133 619 HG2 ARG 674 2HG ARG 674 -11.363 6.787 1.930 620 HG3 ARG 674 1HG ARG 674 -12.315 8.169 2.479 621 HD2 ARG 674 2HD ARG 674 -13.294 5.926 0.689 622 HD3 ARG 674 1HD ARG 674 -13.664 6.110 2.396 623 HE ARG 674 HE ARG 674 -14.383 8.462 1.141 624 HH12 ARG 674 1HH ARG 674 -17.031 5.480 0.675 625 HH21 ARG 674 2HH ARG 674 -17.679 7.664 0.383 626 H ASP 675 H ASP 675 -12.914 9.059 -1.763 627 HA ASP 675 HA ASP 675 -12.192 9.256 -4.383 628 HB2 ASP 675 2HB ASP 675 -13.388 11.382 -4.362 629 HB3 ASP 675 1HB ASP 675 -14.207 10.231 -3.324 630 H GLY 676 H GLY 676 -10.840 11.026 -1.678 631 HA2 GLY 676 2HA GLY 676 -8.850 12.225 -1.443 632 HA3 GLY 676 1HA GLY 676 -8.256 11.274 -2.792 633 H THR 677 H THR 677 -7.410 12.594 -4.280 634 HA THR 677 HA THR 677 -8.669 15.126 -4.702 635 HB THR 677 HB THR 677 -5.907 14.118 -5.291 636 HG1 THR 677 1HG THR 677 -7.097 15.721 -3.463 637 HG21 THR 677 2HG THR 677 -6.587 15.416 -7.298 638 HA PRO 678 HA PRO 678 -10.016 13.330 -8.673 639 HB2 PRO 678 2HB PRO 678 -11.181 15.389 -9.794 640 HB3 PRO 678 1HB PRO 678 -11.838 14.703 -8.336 641 HG2 PRO 678 2HG PRO 678 -10.049 17.107 -8.495 642 HG3 PRO 678 1HG PRO 678 -11.605 16.942 -7.652 643 HD2 PRO 678 2HD PRO 678 -9.257 16.620 -6.339 644 HD3 PRO 678 1HD PRO 678 -10.717 15.671 -5.963 645 H TYR 679 H TYR 679 -9.447 13.394 -10.803 646 HA TYR 679 HA TYR 679 -6.766 13.710 -11.428 647 HB2 TYR 679 2HB TYR 679 -8.945 14.096 -13.521 648 HB3 TYR 679 1HB TYR 679 -7.266 13.588 -13.777 649 HD1 TYR 679 2HD TYR 679 -6.581 11.326 -12.679 650 HD2 TYR 679 1HD TYR 679 -10.587 12.540 -13.332 651 HE1 TYR 679 2HE TYR 679 -7.327 8.964 -12.506 652 HE2 TYR 679 1HE TYR 679 -11.323 10.205 -13.168 653 HH TYR 679 HH TYR 679 -9.343 7.790 -11.958 654 H ASN 680 H ASN 680 -9.062 15.877 -12.971 655 HA ASN 680 HA ASN 680 -8.368 18.329 -11.898 656 HB2 ASN 680 2HB ASN 680 -6.841 19.364 -13.509 657 HB3 ASN 680 1HB ASN 680 -6.063 17.931 -12.860 658 HD21 ASN 680 2HD ASN 680 -5.832 16.336 -15.972 659 H ASN 681 H ASN 681 -10.512 16.653 -13.223 660 HA ASN 681 HA ASN 681 -10.941 18.081 -15.675 661 HB2 ASN 681 2HB ASN 681 -12.495 16.258 -16.195 662 HB3 ASN 681 1HB ASN 681 -10.903 15.665 -15.809 663 HD21 ASN 681 2HD ASN 681 -13.684 13.695 -14.135 664 H GLU 682 H GLU 682 -13.216 18.602 -16.155 665 HA GLU 682 HA GLU 682 -14.228 20.420 -14.262 666 HB2 GLU 682 2HB GLU 682 -14.483 20.648 -16.699 667 HB3 GLU 682 1HB GLU 682 -15.527 19.242 -16.726 668 HG2 GLU 682 2HG GLU 682 -17.148 20.455 -15.321 669 HG3 GLU 682 1HG GLU 682 -16.097 21.867 -15.376 670 H LYS 683 H LYS 683 -14.912 17.143 -15.023 671 HA LYS 683 HA LYS 683 -17.349 16.961 -13.562 672 HB2 LYS 683 2HB LYS 683 -16.887 15.488 -15.427 673 HB3 LYS 683 1HB LYS 683 -15.485 14.832 -14.595 674 HG2 LYS 683 2HG LYS 683 -16.906 13.842 -12.924 675 HG3 LYS 683 1HG LYS 683 -18.332 14.583 -13.657 676 HD2 LYS 683 2HD LYS 683 -17.969 13.363 -15.664 677 HD3 LYS 683 1HD LYS 683 -16.488 12.652 -15.013 678 HE2 LYS 683 2HE LYS 683 -17.762 11.526 -13.275 679 HE3 LYS 683 1HE LYS 683 -19.247 12.284 -13.837 680 HZ1 LYS 683 3HZ LYS 683 -19.026 11.077 -15.915 681 HZ2 LYS 683 1HZ LYS 683 -19.025 9.997 -14.600 682 HZ3 LYS 683 2HZ LYS 683 -17.592 10.365 -15.378 683 H ARG 684 H ARG 684 -13.982 16.979 -12.674 684 HA ARG 684 HA ARG 684 -12.912 16.718 -10.724 685 HB2 ARG 684 2HB ARG 684 -15.715 17.085 -9.630 686 HB3 ARG 684 1HB ARG 684 -14.255 17.131 -8.640 687 HG2 ARG 684 2HG ARG 684 -14.774 19.000 -10.945 688 HG3 ARG 684 1HG ARG 684 -15.236 19.355 -9.279 689 HD2 ARG 684 2HD ARG 684 -12.420 18.740 -10.184 690 HD3 ARG 684 1HD ARG 684 -13.064 20.365 -9.946 691 HE ARG 684 HE ARG 684 -13.466 18.741 -7.666 692 HH12 ARG 684 1HH ARG 684 -10.082 20.946 -7.822 693 HH21 ARG 684 2HH ARG 684 -10.877 20.168 -5.794 694 H THR 685 H THR 685 -13.000 14.482 -11.896 695 HA THR 685 HA THR 685 -14.368 12.474 -10.386 696 HB THR 685 HB THR 685 -12.525 12.245 -12.763 697 HG1 THR 685 1HG THR 685 -15.346 12.185 -12.539 698 HG21 THR 685 2HG THR 685 -12.715 10.236 -11.440 699 HA PRO 686 HA PRO 686 -10.982 12.119 -7.531 700 HB2 PRO 686 2HB PRO 686 -11.825 9.874 -6.323 701 HB3 PRO 686 1HB PRO 686 -12.555 11.469 -6.091 702 HG2 PRO 686 2HG PRO 686 -13.442 9.248 -7.894 703 HG3 PRO 686 1HG PRO 686 -14.407 10.191 -6.740 704 HD2 PRO 686 2HD PRO 686 -14.407 10.767 -9.320 705 HD3 PRO 686 1HD PRO 686 -14.426 12.062 -8.100 706 H ARG 687 H ARG 687 -9.020 11.167 -7.408 707 HA ARG 687 HA ARG 687 -8.550 8.724 -8.967 708 HB2 ARG 687 2HB ARG 687 -6.446 10.428 -7.607 709 HB3 ARG 687 1HB ARG 687 -6.213 9.256 -8.890 710 HG2 ARG 687 2HG ARG 687 -7.518 10.794 -10.378 711 HG3 ARG 687 1HG ARG 687 -7.426 11.991 -9.088 712 HD2 ARG 687 2HD ARG 687 -5.614 12.499 -10.523 713 HD3 ARG 687 1HD ARG 687 -4.905 11.636 -9.167 714 HE ARG 687 HE ARG 687 -5.508 9.729 -11.064 715 HH12 ARG 687 1HH ARG 687 -2.271 11.972 -11.976 716 HH21 ARG 687 2HH ARG 687 -2.546 9.874 -12.981 717 H ALA 688 H ALA 688 -7.985 6.900 -7.818 718 HA ALA 688 HA ALA 688 -7.957 7.231 -4.887 719 HB1 ALA 688 1HB ALA 688 -9.542 5.152 -6.396 720 HB2 ALA 688 2HB ALA 688 -10.209 6.573 -5.592 721 HB3 ALA 688 3HB ALA 688 -9.425 5.307 -4.643 722 H THR 689 H THR 689 -7.243 5.262 -3.779 723 HA THR 689 HA THR 689 -5.108 3.908 -5.293 724 HB THR 689 HB THR 689 -5.272 4.363 -2.298 725 HG1 THR 689 1HG THR 689 -5.044 6.296 -3.559 726 HG21 THR 689 2HG THR 689 -2.997 3.527 -4.104 727 H LEU 690 H LEU 690 -5.165 1.754 -5.409 728 HA LEU 690 HA LEU 690 -6.973 0.281 -3.649 729 HB2 LEU 690 2HB LEU 690 -7.825 0.578 -6.013 730 HB3 LEU 690 1HB LEU 690 -6.394 -0.239 -6.588 731 HG LEU 690 HG LEU 690 -8.371 -1.674 -6.667 732 HD13 LEU 690 1HD LEU 690 -6.244 -2.757 -6.333 733 HD21 LEU 690 2HD LEU 690 -8.473 -1.341 -3.682 734 H ILE 691 H ILE 691 -5.715 -0.955 -2.433 735 HA ILE 691 HA ILE 691 -3.074 -1.682 -3.487 736 HB ILE 691 HB ILE 691 -3.984 -1.865 -0.589 737 HG12 ILE 691 1HG ILE 691 -2.263 0.072 -0.298 738 HG23 ILE 691 2HG ILE 691 -1.618 -2.125 -0.072 739 HD11 ILE 691 1HD ILE 691 -3.853 1.846 -0.744 740 H THR 692 H THR 692 -2.705 -3.767 -4.080 741 HA THR 692 HA THR 692 -4.738 -5.715 -3.434 742 HB THR 692 HB THR 692 -2.576 -5.649 -5.485 743 HG1 THR 692 1HG THR 692 -5.238 -5.337 -6.323 744 HG21 THR 692 2HG THR 692 -3.966 -7.356 -6.644 745 H PHE 693 H PHE 693 -4.165 -7.077 -1.910 746 HA PHE 693 HA PHE 693 -1.382 -7.355 -1.080 747 HB2 PHE 693 2HB PHE 693 -3.961 -8.261 0.099 748 HB3 PHE 693 1HB PHE 693 -2.399 -8.470 0.871 749 HD1 PHE 693 1HD PHE 693 -4.692 -5.793 -0.379 750 HD2 PHE 693 2HD PHE 693 -1.555 -6.810 2.310 751 HE1 PHE 693 1HE PHE 693 -4.925 -3.623 0.725 752 HE2 PHE 693 2HE PHE 693 -1.778 -4.639 3.398 753 HZ PHE 693 HZ PHE 693 -3.464 -3.047 2.608 754 H LEU 694 H LEU 694 -0.295 -9.090 -1.689 755 HA LEU 694 HA LEU 694 -1.849 -11.380 -2.632 756 HB2 LEU 694 2HB LEU 694 0.922 -10.542 -3.444 757 HB3 LEU 694 1HB LEU 694 0.014 -11.898 -4.082 758 HG LEU 694 HG LEU 694 -0.675 -9.014 -4.363 759 HD13 LEU 694 1HD LEU 694 -0.157 -9.351 -6.745 760 HD21 LEU 694 2HD LEU 694 -2.688 -10.316 -4.321 761 H CYS 695 H CYS 695 -1.158 -13.309 -2.110 762 HA CYS 695 HA CYS 695 0.381 -13.523 0.347 763 HB2 CYS 695 2HB CYS 695 -1.755 -14.716 0.231 764 HB3 CYS 695 1HB CYS 695 -1.219 -15.572 -1.207 765 H ASP 696 H ASP 696 2.478 -13.994 0.282 766 HA ASP 696 HA ASP 696 3.432 -15.756 -1.849 767 HB2 ASP 696 2HB ASP 696 3.983 -13.386 -2.498 768 HB3 ASP 696 1HB ASP 696 4.938 -13.246 -1.023 769 H ARG 697 H ARG 697 5.153 -17.051 -1.250 770 HA ARG 697 HA ARG 697 5.145 -17.840 1.453 771 HB2 ARG 697 2HB ARG 697 7.130 -18.560 -0.707 772 HB3 ARG 697 1HB ARG 697 6.994 -19.364 0.844 773 HG2 ARG 697 2HG ARG 697 4.721 -20.086 0.265 774 HG3 ARG 697 1HG ARG 697 4.875 -19.288 -1.301 775 HD2 ARG 697 2HD ARG 697 6.792 -20.712 -1.837 776 HD3 ARG 697 1HD ARG 697 6.628 -21.514 -0.277 777 HE ARG 697 HE ARG 697 4.191 -21.783 -1.546 778 HH12 ARG 697 1HH ARG 697 7.140 -24.128 -3.075 779 HH21 ARG 697 2HH ARG 697 4.825 -24.644 -3.483 780 H ASP 698 H ASP 698 7.351 -15.758 -0.337 781 HA ASP 698 HA ASP 698 8.943 -15.468 2.102 782 HB2 ASP 698 2HB ASP 698 10.292 -16.152 0.199 783 HB3 ASP 698 1HB ASP 698 9.630 -14.851 -0.779 784 H ALA 699 H ALA 699 8.335 -13.805 3.275 785 HA ALA 699 HA ALA 699 8.192 -11.179 2.396 786 HB1 ALA 699 1HB ALA 699 5.759 -10.775 2.610 787 HB2 ALA 699 2HB ALA 699 5.491 -12.508 2.793 788 HB3 ALA 699 3HB ALA 699 6.108 -11.868 1.271 789 H GLY 700 H GLY 700 6.695 -10.019 4.191 790 HA2 GLY 700 2HA GLY 700 6.636 -11.338 6.718 791 HA3 GLY 700 1HA GLY 700 7.856 -10.065 6.590 792 H VAL 701 H VAL 701 7.281 -8.031 6.745 793 HA VAL 701 HA VAL 701 4.542 -7.430 7.344 794 HB VAL 701 HB VAL 701 6.343 -6.240 8.508 795 HG13 VAL 701 1HG VAL 701 8.039 -6.108 6.786 796 HG21 VAL 701 2HG VAL 701 4.242 -5.109 8.400 797 H GLY 702 H GLY 702 6.773 -6.762 4.764 798 HA2 GLY 702 2HA GLY 702 6.154 -6.884 2.499 799 HA3 GLY 702 1HA GLY 702 4.498 -6.575 2.976 800 H PHE 703 H PHE 703 6.601 -5.391 1.183 801 HA PHE 703 HA PHE 703 5.931 -2.632 1.829 802 HB2 PHE 703 2HB PHE 703 8.374 -3.700 0.390 803 HB3 PHE 703 1HB PHE 703 7.945 -1.996 0.446 804 HD1 PHE 703 2HD PHE 703 7.984 -0.789 2.606 805 HD2 PHE 703 1HD PHE 703 9.412 -4.780 2.246 806 HE1 PHE 703 2HE PHE 703 9.170 -0.553 4.741 807 HE2 PHE 703 1HE PHE 703 10.597 -4.552 4.387 808 HZ PHE 703 HZ PHE 703 10.478 -2.434 5.638 809 HA PRO 704 HA PRO 704 3.417 -3.012 -1.761 810 HB2 PRO 704 2HB PRO 704 2.906 -0.361 -2.152 811 HB3 PRO 704 1HB PRO 704 2.109 -1.333 -0.910 812 HG2 PRO 704 2HG PRO 704 4.406 0.562 -0.643 813 HG3 PRO 704 1HG PRO 704 3.035 0.311 0.445 814 HD2 PRO 704 2HD PRO 704 5.485 -0.713 0.911 815 HD3 PRO 704 1HD PRO 704 3.993 -1.518 1.438 816 H GLU 705 H GLU 705 3.666 -2.959 -3.894 817 HA GLU 705 HA GLU 705 5.992 -1.538 -4.996 818 HB2 GLU 705 2HB GLU 705 6.057 -4.091 -4.750 819 HB3 GLU 705 1HB GLU 705 4.731 -4.156 -5.882 820 HG2 GLU 705 2HG GLU 705 7.466 -3.056 -6.499 821 HG3 GLU 705 1HG GLU 705 6.936 -4.697 -6.839 822 H TYR 706 H TYR 706 5.446 -0.181 -6.705 823 HA TYR 706 HA TYR 706 2.656 0.307 -7.073 824 HB2 TYR 706 2HB TYR 706 4.017 2.239 -6.912 825 HB3 TYR 706 1HB TYR 706 5.083 1.726 -8.201 826 HD1 TYR 706 2HD TYR 706 1.484 2.459 -7.583 827 HD2 TYR 706 1HD TYR 706 4.739 2.628 -10.313 828 HE1 TYR 706 2HE TYR 706 0.083 3.637 -9.144 829 HE2 TYR 706 1HE TYR 706 3.338 3.840 -11.914 830 HH TYR 706 HH TYR 706 0.421 5.229 -11.081 831 H GLN 707 H GLN 707 1.356 -0.556 -8.431 832 HA GLN 707 HA GLN 707 2.372 -2.179 -10.548 833 HB2 GLN 707 2HB GLN 707 -0.458 -1.580 -9.692 834 HB3 GLN 707 1HB GLN 707 -0.039 -2.668 -11.009 835 HG2 GLN 707 2HG GLN 707 0.834 -2.999 -8.153 836 HG3 GLN 707 1HG GLN 707 -0.525 -3.831 -8.906 837 HE21 GLN 707 2HE GLN 707 3.273 -4.968 -9.685 838 H GLU 708 H GLU 708 -0.413 -0.028 -10.909 839 HA GLU 708 HA GLU 708 0.788 1.640 -12.852 840 HB2 GLU 708 2HB GLU 708 -0.427 0.697 -14.814 841 HB3 GLU 708 1HB GLU 708 0.919 -0.262 -14.211 842 HG2 GLU 708 2HG GLU 708 -0.656 -1.752 -13.063 843 HG3 GLU 708 1HG GLU 708 -2.000 -0.778 -13.640 844 H GLU 709 H GLU 709 -0.359 3.380 -12.460 845 HA GLU 709 HA GLU 709 -3.247 3.168 -12.193 846 HB2 GLU 709 2HB GLU 709 -1.764 4.917 -10.969 847 HB3 GLU 709 1HB GLU 709 -1.687 5.738 -12.516 848 HG2 GLU 709 2HG GLU 709 -4.226 5.150 -10.986 849 HG3 GLU 709 1HG GLU 709 -3.368 6.678 -10.967 850 H ASP 710 H ASP 710 -4.523 3.358 -13.849 851 HA ASP 710 HA ASP 710 -3.845 4.658 -16.313 852 HB2 ASP 710 2HB ASP 710 -2.614 2.525 -16.617 853 HB3 ASP 710 1HB ASP 710 -4.099 1.637 -16.298 854 H ASN 711 H ASN 711 -5.631 2.122 -14.851 855 HA ASN 711 HA ASN 711 -8.033 2.343 -16.184 856 HB2 ASN 711 2HB ASN 711 -9.016 1.122 -14.225 857 HB3 ASN 711 1HB ASN 711 -7.573 0.374 -14.888 858 HD21 ASN 711 2HD ASN 711 -5.671 0.758 -11.944 859 H SER 712 H SER 712 -7.157 3.879 -13.069 860 HA SER 712 HA SER 712 -8.481 6.257 -13.304 861 HB2 SER 712 2HB SER 712 -10.595 5.870 -12.070 862 HB3 SER 712 1HB SER 712 -10.572 4.984 -13.590 863 HG SER 712 HG SER 712 -11.012 3.322 -12.415 864 H THR 713 H THR 713 -7.571 3.506 -11.482 865 HA THR 713 HA THR 713 -7.231 5.021 -9.020 866 HB THR 713 HB THR 713 -8.021 2.152 -9.527 867 HG1 THR 713 1HG THR 713 -9.678 3.525 -10.053 868 HG21 THR 713 2HG THR 713 -8.559 2.112 -7.124 869 H TYR 714 H TYR 714 -5.305 4.652 -7.926 870 HA TYR 714 HA TYR 714 -3.075 3.508 -9.352 871 HB2 TYR 714 2HB TYR 714 -3.333 4.895 -6.670 872 HB3 TYR 714 1HB TYR 714 -1.830 4.177 -7.216 873 HD1 TYR 714 1HD TYR 714 -4.345 6.808 -8.058 874 HD2 TYR 714 2HD TYR 714 -0.384 5.364 -8.619 875 HE1 TYR 714 1HE TYR 714 -3.734 8.894 -9.238 876 HE2 TYR 714 2HE TYR 714 0.219 7.412 -9.796 877 HH TYR 714 HH TYR 714 -0.917 9.160 -11.081 878 H ASN 715 H ASN 715 -2.613 1.437 -9.236 879 HA ASN 715 HA ASN 715 -3.516 -0.113 -6.920 880 HB2 ASN 715 2HB ASN 715 -2.767 -0.808 -9.687 881 HB3 ASN 715 1HB ASN 715 -2.656 -2.063 -8.453 882 HD21 ASN 715 2HD ASN 715 -6.117 -2.593 -8.272 883 H PHE 716 H PHE 716 -2.213 -1.026 -5.546 884 HA PHE 716 HA PHE 716 0.641 -1.139 -6.179 885 HB2 PHE 716 2HB PHE 716 -0.615 -0.523 -3.490 886 HB3 PHE 716 1HB PHE 716 1.076 -0.912 -3.727 887 HD1 PHE 716 1HD PHE 716 -1.523 1.604 -4.428 888 HD2 PHE 716 2HD PHE 716 2.605 0.622 -4.601 889 HE1 PHE 716 1HE PHE 716 -0.984 3.950 -4.945 890 HE2 PHE 716 2HE PHE 716 3.143 2.956 -5.112 891 HZ PHE 716 HZ PHE 716 1.383 4.608 -5.293 892 H ARG 717 H ARG 717 1.676 -2.929 -5.650 893 HA ARG 717 HA ARG 717 0.012 -5.223 -4.932 894 HB2 ARG 717 2HB ARG 717 1.022 -5.416 -7.103 895 HB3 ARG 717 1HB ARG 717 2.587 -4.949 -6.475 896 HG2 ARG 717 2HG ARG 717 2.824 -7.001 -5.333 897 HG3 ARG 717 1HG ARG 717 1.159 -7.469 -5.699 898 HD2 ARG 717 2HD ARG 717 2.811 -8.584 -7.176 899 HD3 ARG 717 1HD ARG 717 1.670 -7.581 -8.067 900 HE ARG 717 HE ARG 717 3.908 -6.030 -7.531 901 HH12 ARG 717 1HH ARG 717 4.344 -8.671 -10.575 902 HH21 ARG 717 2HH ARG 717 5.632 -6.702 -10.508 903 H TRP 718 H TRP 718 0.257 -5.994 -2.980 904 HA TRP 718 HA TRP 718 2.669 -5.251 -1.454 905 HB2 TRP 718 2HB TRP 718 0.334 -4.372 -0.795 906 HB3 TRP 718 1HB TRP 718 -0.031 -6.028 -0.367 907 HD1 TRP 718 HD TRP 718 2.030 -7.041 1.464 908 HE1 TRP 718 1HE TRP 718 2.764 -5.823 3.643 909 HE3 TRP 718 3HE TRP 718 0.463 -2.330 0.345 910 HZ2 TRP 718 2HZ TRP 718 2.672 -3.263 4.702 911 HZ3 TRP 718 3HZ TRP 718 0.812 -0.551 2.000 912 HH2 TRP 718 HH TRP 718 1.892 -1.013 4.127 913 H TYR 719 H TYR 719 3.913 -6.946 -0.791 914 HA TYR 719 HA TYR 719 2.782 -9.656 -0.903 915 HB2 TYR 719 2HB TYR 719 5.657 -8.729 -0.837 916 HB3 TYR 719 1HB TYR 719 5.159 -10.417 -0.820 917 HD1 TYR 719 2HD TYR 719 3.865 -11.278 -2.834 918 HD2 TYR 719 1HD TYR 719 5.962 -7.582 -2.833 919 HE1 TYR 719 2HE TYR 719 3.906 -11.313 -5.282 920 HE2 TYR 719 1HE TYR 719 6.008 -7.604 -5.287 921 HH TYR 719 HH TYR 719 5.879 -9.173 -7.048 922 H THR 720 H THR 720 2.050 -10.249 1.072 923 HA THR 720 HA THR 720 3.761 -9.655 3.340 924 HB THR 720 HB THR 720 2.179 -7.809 3.333 925 HG1 THR 720 1HG THR 720 2.463 -8.167 5.357 926 HG21 THR 720 2HG THR 720 0.372 -8.859 2.057 927 H SER 721 H SER 721 3.748 -11.154 4.916 928 HA SER 721 HA SER 721 2.741 -13.714 4.403 929 HB2 SER 721 2HB SER 721 3.784 -12.432 6.920 930 HB3 SER 721 1HB SER 721 3.616 -14.184 6.677 931 HG SER 721 HG SER 721 5.204 -14.110 5.202 932 H TYR 722 H TYR 722 1.395 -10.883 5.932 933 HA TYR 722 HA TYR 722 -0.497 -12.203 7.568 934 HB2 TYR 722 2HB TYR 722 -0.369 -9.337 6.625 935 HB3 TYR 722 1HB TYR 722 -1.485 -9.971 7.812 936 HD1 TYR 722 2HD TYR 722 2.064 -9.195 7.188 937 HD2 TYR 722 1HD TYR 722 -0.809 -10.454 10.062 938 HE1 TYR 722 2HE TYR 722 3.697 -8.815 8.977 939 HE2 TYR 722 1HE TYR 722 0.828 -10.077 11.861 940 HH TYR 722 HH TYR 722 3.744 -8.384 11.350 941 H ALA 723 H ALA 723 -0.358 -11.714 4.239 942 HA ALA 723 HA ALA 723 -3.262 -11.784 3.915 943 HB1 ALA 723 1HB ALA 723 -2.788 -11.637 1.505 944 HB2 ALA 723 2HB ALA 723 -1.060 -11.749 1.839 945 HB3 ALA 723 3HB ALA 723 -1.973 -10.345 2.389 946 H CYS 724 H CYS 724 -1.017 -13.900 4.740 947 HA CYS 724 HA CYS 724 -2.103 -16.067 3.127 948 HB2 CYS 724 2HB CYS 724 0.510 -15.891 4.644 949 HB3 CYS 724 1HB CYS 724 -0.035 -17.288 3.725 950 HA PRO 725 HA PRO 725 -3.620 -17.514 7.089 951 HB2 PRO 725 2HB PRO 725 -4.669 -19.879 6.217 952 HB3 PRO 725 1HB PRO 725 -5.433 -18.315 5.935 953 HG2 PRO 725 2HG PRO 725 -4.145 -20.090 4.025 954 HG3 PRO 725 1HG PRO 725 -5.140 -18.661 3.713 955 HD2 PRO 725 2HD PRO 725 -2.236 -18.945 3.691 956 HD3 PRO 725 1HD PRO 725 -3.247 -17.601 3.119
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