NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25862 | 2kcp | 16091 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -12.941 40.752 -34.904 2 H2 GLY 1 2H GLY 1 -12.093 41.910 -34.013 3 H3 GLY 1 3H GLY 1 -13.701 41.557 -33.625 4 HA2 GLY 1 2HA GLY 1 -13.069 39.290 -33.011 5 HA3 GLY 1 3HA GLY 1 -11.400 39.702 -33.355 6 H ASP 2 H ASP 2 -10.229 40.889 -31.895 7 HA ASP 2 HA ASP 2 -9.484 41.306 -29.814 8 HB2 ASP 2 2HB ASP 2 -10.510 43.297 -28.754 9 HB3 ASP 2 3HB ASP 2 -10.149 43.494 -30.461 10 H ARG 3 H ARG 3 -13.023 41.333 -29.108 11 HA ARG 3 HA ARG 3 -12.784 40.490 -26.461 12 HB2 ARG 3 2HB ARG 3 -15.110 39.887 -28.302 13 HB3 ARG 3 3HB ARG 3 -15.150 39.947 -26.544 14 HG2 ARG 3 2HG ARG 3 -14.619 42.273 -28.386 15 HG3 ARG 3 3HG ARG 3 -16.120 41.954 -27.519 16 HD2 ARG 3 2HD ARG 3 -15.104 42.379 -25.414 17 HD3 ARG 3 3HD ARG 3 -13.481 42.324 -26.102 18 HE ARG 3 HE ARG 3 -14.191 44.396 -27.355 19 HH11 ARG 3 1HH1 ARG 3 -15.533 43.584 -24.279 20 HH12 ARG 3 2HH1 ARG 3 -15.836 45.239 -23.865 21 HH21 ARG 3 1HH2 ARG 3 -14.611 46.499 -26.810 22 HH22 ARG 3 2HH2 ARG 3 -15.329 46.864 -25.280 23 H ARG 4 H ARG 4 -11.343 38.766 -26.224 24 HA ARG 4 HA ARG 4 -12.161 36.164 -27.330 25 HB2 ARG 4 2HB ARG 4 -9.583 37.055 -26.018 26 HB3 ARG 4 3HB ARG 4 -9.911 35.402 -26.520 27 HG2 ARG 4 2HG ARG 4 -10.120 36.129 -28.839 28 HG3 ARG 4 3HG ARG 4 -9.831 37.800 -28.348 29 HD2 ARG 4 2HD ARG 4 -7.883 35.529 -27.923 30 HD3 ARG 4 3HD ARG 4 -7.828 36.647 -29.286 31 HE ARG 4 HE ARG 4 -7.418 38.433 -27.664 32 HH11 ARG 4 1HH1 ARG 4 -6.937 35.200 -26.563 33 HH12 ARG 4 2HH1 ARG 4 -5.791 35.673 -25.363 34 HH21 ARG 4 1HH2 ARG 4 -5.953 39.011 -26.115 35 HH22 ARG 4 2HH2 ARG 4 -5.245 37.796 -25.114 36 H VAL 5 H VAL 5 -13.188 34.722 -26.085 37 HA VAL 5 HA VAL 5 -13.464 35.301 -23.213 38 HB VAL 5 HB VAL 5 -15.454 33.852 -23.273 39 HG11 VAL 5 1HG1 VAL 5 -15.718 36.240 -23.700 40 HG12 VAL 5 2HG1 VAL 5 -16.883 35.308 -24.641 41 HG13 VAL 5 3HG1 VAL 5 -15.450 35.978 -25.424 42 HG21 VAL 5 3HG2 VAL 5 -16.325 33.031 -25.434 43 HG22 VAL 5 1HG2 VAL 5 -14.779 32.289 -25.014 44 HG23 VAL 5 2HG2 VAL 5 -14.842 33.570 -26.222 45 H ARG 6 H ARG 6 -14.150 33.035 -22.052 46 HA ARG 6 HA ARG 6 -11.662 31.641 -21.806 47 HB2 ARG 6 2HB ARG 6 -14.346 31.354 -20.466 48 HB3 ARG 6 3HB ARG 6 -13.013 30.262 -20.111 49 HG2 ARG 6 2HG ARG 6 -11.660 32.068 -19.290 50 HG3 ARG 6 3HG ARG 6 -12.847 33.260 -19.823 51 HD2 ARG 6 2HD ARG 6 -13.602 31.120 -17.856 52 HD3 ARG 6 3HD ARG 6 -12.767 32.578 -17.322 53 HE ARG 6 HE ARG 6 -14.703 33.781 -18.464 54 HH11 ARG 6 1HH1 ARG 6 -15.073 30.642 -17.089 55 HH12 ARG 6 2HH1 ARG 6 -16.698 30.949 -16.587 56 HH21 ARG 6 1HH2 ARG 6 -16.781 34.146 -17.813 57 HH22 ARG 6 2HH2 ARG 6 -17.653 32.892 -16.996 58 H LEU 7 H LEU 7 -14.866 30.660 -23.047 59 HA LEU 7 HA LEU 7 -15.448 29.089 -24.596 60 HB2 LEU 7 2HB LEU 7 -12.476 28.616 -24.852 61 HB3 LEU 7 3HB LEU 7 -13.694 27.912 -25.897 62 HG LEU 7 HG LEU 7 -13.213 30.888 -25.635 63 HD11 LEU 7 1HD1 LEU 7 -12.128 30.723 -27.827 64 HD12 LEU 7 2HD1 LEU 7 -12.271 28.965 -27.766 65 HD13 LEU 7 3HD1 LEU 7 -11.253 29.810 -26.599 66 HD21 LEU 7 3HD2 LEU 7 -14.566 31.023 -27.672 67 HD22 LEU 7 1HD2 LEU 7 -15.476 30.309 -26.340 68 HD23 LEU 7 2HD2 LEU 7 -14.828 29.278 -27.617 69 H ILE 8 H ILE 8 -13.330 28.103 -21.997 70 HA ILE 8 HA ILE 8 -13.344 25.357 -22.158 71 HB ILE 8 HB ILE 8 -12.001 26.459 -20.516 72 HG12 ILE 8 2HG1 ILE 8 -12.581 25.188 -18.432 73 HG13 ILE 8 3HG1 ILE 8 -14.115 24.746 -19.171 74 HG21 ILE 8 1HG2 ILE 8 -13.436 28.367 -20.060 75 HG22 ILE 8 2HG2 ILE 8 -12.933 27.597 -18.555 76 HG23 ILE 8 3HG2 ILE 8 -14.561 27.335 -19.181 77 HD11 ILE 8 3HD1 ILE 8 -12.927 23.551 -20.932 78 HD12 ILE 8 1HD1 ILE 8 -12.491 22.948 -19.334 79 HD13 ILE 8 2HD1 ILE 8 -11.387 24.008 -20.207 80 H ARG 9 H ARG 9 -14.873 23.851 -22.167 81 HA ARG 9 HA ARG 9 -17.564 24.466 -21.146 82 HB2 ARG 9 2HB ARG 9 -16.599 22.203 -22.913 83 HB3 ARG 9 3HB ARG 9 -18.266 22.459 -22.422 84 HG2 ARG 9 2HG ARG 9 -18.371 24.518 -23.671 85 HG3 ARG 9 3HG ARG 9 -16.653 24.409 -24.063 86 HD2 ARG 9 2HD ARG 9 -17.029 22.408 -25.366 87 HD3 ARG 9 3HD ARG 9 -18.722 22.360 -24.875 88 HE ARG 9 HE ARG 9 -19.072 24.370 -26.186 89 HH11 ARG 9 1HH1 ARG 9 -16.104 22.699 -26.754 90 HH12 ARG 9 2HH1 ARG 9 -15.951 23.323 -28.360 91 HH21 ARG 9 1HH2 ARG 9 -18.847 25.146 -28.248 92 HH22 ARG 9 2HH2 ARG 9 -17.471 24.676 -29.189 93 H THR 10 H THR 10 -15.628 21.465 -21.328 94 HA THR 10 HA THR 10 -16.838 20.635 -18.764 95 HB THR 10 HB THR 10 -16.361 18.316 -19.463 96 HG1 THR 10 HG1 THR 10 -15.537 17.903 -21.495 97 HG21 THR 10 3HG2 THR 10 -18.543 19.274 -19.981 98 HG22 THR 10 1HG2 THR 10 -18.031 18.187 -21.274 99 HG23 THR 10 2HG2 THR 10 -17.916 19.935 -21.493 100 H ARG 11 H ARG 11 -15.623 19.575 -17.192 101 HA ARG 11 HA ARG 11 -12.836 19.036 -17.375 102 HB2 ARG 11 2HB ARG 11 -12.588 21.434 -17.304 103 HB3 ARG 11 3HB ARG 11 -13.695 21.566 -15.950 104 HG2 ARG 11 2HG ARG 11 -11.230 19.948 -15.552 105 HG3 ARG 11 3HG ARG 11 -11.057 21.701 -15.656 106 HD2 ARG 11 2HD ARG 11 -12.736 20.134 -13.691 107 HD3 ARG 11 3HD ARG 11 -11.306 21.110 -13.343 108 HE ARG 11 HE ARG 11 -13.529 22.526 -14.550 109 HH11 ARG 11 1HH1 ARG 11 -11.887 21.705 -11.642 110 HH12 ARG 11 2HH1 ARG 11 -12.651 22.964 -10.737 111 HH21 ARG 11 1HH2 ARG 11 -14.473 24.133 -13.401 112 HH22 ARG 11 2HH2 ARG 11 -14.103 24.329 -11.722 113 H GLY 12 H GLY 12 -12.508 17.394 -16.007 114 HA2 GLY 12 2HA GLY 12 -12.662 16.807 -13.529 115 HA3 GLY 12 3HA GLY 12 -14.392 17.029 -13.753 116 H GLY 13 H GLY 13 -13.153 14.613 -12.839 117 HA2 GLY 13 2HA GLY 13 -13.032 12.765 -15.077 118 HA3 GLY 13 3HA GLY 13 -12.804 12.375 -13.384 119 H ASN 14 H ASN 14 -14.095 10.517 -13.603 120 HA ASN 14 HA ASN 14 -16.931 10.945 -13.233 121 HB2 ASN 14 2HB ASN 14 -16.431 10.830 -15.794 122 HB3 ASN 14 3HB ASN 14 -16.166 9.116 -15.517 123 HD21 ASN 14 1HD2 ASN 14 -18.510 11.673 -15.590 124 HD22 ASN 14 2HD2 ASN 14 -19.905 10.655 -15.579 125 H THR 15 H THR 15 -17.888 8.360 -13.398 126 HA THR 15 HA THR 15 -16.728 7.029 -11.189 127 HB THR 15 HB THR 15 -18.670 5.967 -13.265 128 HG1 THR 15 HG1 THR 15 -19.736 7.492 -12.117 129 HG21 THR 15 3HG2 THR 15 -17.884 4.786 -10.590 130 HG22 THR 15 1HG2 THR 15 -17.528 4.100 -12.176 131 HG23 THR 15 2HG2 THR 15 -19.196 4.209 -11.616 132 H LYS 16 H LYS 16 -14.842 5.987 -11.160 133 HA LYS 16 HA LYS 16 -13.531 5.149 -13.580 134 HB2 LYS 16 2HB LYS 16 -11.614 4.780 -12.280 135 HB3 LYS 16 3HB LYS 16 -12.412 6.123 -11.478 136 HG2 LYS 16 2HG LYS 16 -12.567 3.239 -10.594 137 HG3 LYS 16 3HG LYS 16 -11.485 4.452 -9.913 138 HD2 LYS 16 2HD LYS 16 -13.428 5.771 -9.183 139 HD3 LYS 16 3HD LYS 16 -14.510 4.553 -9.868 140 HE2 LYS 16 2HE LYS 16 -13.614 2.880 -8.321 141 HE3 LYS 16 3HE LYS 16 -12.506 4.078 -7.652 142 HZ1 LYS 16 3HZ LYS 16 -14.410 3.837 -6.232 143 HZ2 LYS 16 1HZ LYS 16 -15.471 4.152 -7.509 144 HZ3 LYS 16 2HZ LYS 16 -14.449 5.372 -6.938 145 H VAL 17 H VAL 17 -12.714 3.015 -13.996 146 HA VAL 17 HA VAL 17 -14.525 0.871 -13.245 147 HB VAL 17 HB VAL 17 -13.696 1.087 -15.580 148 HG11 VAL 17 1HG1 VAL 17 -11.009 0.338 -14.423 149 HG12 VAL 17 2HG1 VAL 17 -11.445 1.901 -15.114 150 HG13 VAL 17 3HG1 VAL 17 -11.396 0.468 -16.139 151 HG21 VAL 17 3HG2 VAL 17 -12.857 -1.474 -14.209 152 HG22 VAL 17 1HG2 VAL 17 -13.138 -1.279 -15.939 153 HG23 VAL 17 2HG2 VAL 17 -14.472 -1.090 -14.803 154 H ARG 18 H ARG 18 -13.633 -1.244 -12.428 155 HA ARG 18 HA ARG 18 -12.028 -0.897 -10.118 156 HB2 ARG 18 2HB ARG 18 -12.163 -3.298 -9.846 157 HB3 ARG 18 3HB ARG 18 -13.729 -2.692 -10.372 158 HG2 ARG 18 2HG ARG 18 -13.442 -3.538 -12.559 159 HG3 ARG 18 3HG ARG 18 -11.720 -3.827 -12.305 160 HD2 ARG 18 2HD ARG 18 -12.246 -5.573 -10.676 161 HD3 ARG 18 3HD ARG 18 -13.968 -5.272 -10.899 162 HE ARG 18 HE ARG 18 -13.855 -6.272 -13.016 163 HH11 ARG 18 1HH1 ARG 18 -10.777 -6.284 -11.454 164 HH12 ARG 18 2HH1 ARG 18 -10.137 -7.507 -12.488 165 HH21 ARG 18 1HH2 ARG 18 -13.016 -7.809 -14.346 166 HH22 ARG 18 2HH2 ARG 18 -11.385 -8.350 -14.129 167 H LEU 19 H LEU 19 -10.036 -2.214 -9.657 168 HA LEU 19 HA LEU 19 -7.909 -1.734 -11.404 169 HB2 LEU 19 2HB LEU 19 -7.779 -2.227 -8.940 170 HB3 LEU 19 3HB LEU 19 -8.053 -3.917 -9.312 171 HG LEU 19 HG LEU 19 -5.703 -2.438 -10.500 172 HD11 LEU 19 1HD1 LEU 19 -5.539 -2.098 -8.103 173 HD12 LEU 19 2HD1 LEU 19 -4.330 -3.266 -8.634 174 HD13 LEU 19 3HD1 LEU 19 -5.792 -3.819 -7.814 175 HD21 LEU 19 3HD2 LEU 19 -4.713 -4.678 -10.592 176 HD22 LEU 19 1HD2 LEU 19 -6.247 -4.626 -11.459 177 HD23 LEU 19 2HD2 LEU 19 -6.166 -5.361 -9.856 178 H ALA 20 H ALA 20 -8.057 -2.434 -13.435 179 HA ALA 20 HA ALA 20 -7.667 -5.237 -14.013 180 HB1 ALA 20 3HB ALA 20 -9.569 -5.461 -15.544 181 HB2 ALA 20 1HB ALA 20 -10.128 -3.846 -15.092 182 HB3 ALA 20 2HB ALA 20 -10.114 -5.142 -13.896 183 H SER 21 H SER 21 -8.655 -2.186 -15.587 184 HA SER 21 HA SER 21 -6.626 -2.532 -17.665 185 HB2 SER 21 2HB SER 21 -8.653 -0.310 -17.252 186 HB3 SER 21 3HB SER 21 -7.610 -0.496 -18.661 187 HG SER 21 HG SER 21 -9.147 -1.695 -19.424 188 H ASP 22 H ASP 22 -6.205 -1.801 -14.673 189 HA ASP 22 HA ASP 22 -3.964 -0.076 -15.081 190 HB2 ASP 22 2HB ASP 22 -5.709 1.637 -15.036 191 HB3 ASP 22 3HB ASP 22 -6.323 1.005 -13.510 192 H THR 23 H THR 23 -2.690 0.213 -13.090 193 HA THR 23 HA THR 23 -3.393 -1.687 -10.934 194 HB THR 23 HB THR 23 -0.626 -1.390 -12.137 195 HG1 THR 23 HG1 THR 23 -2.521 -2.665 -13.221 196 HG21 THR 23 3HG2 THR 23 -1.666 -3.287 -10.021 197 HG22 THR 23 1HG2 THR 23 -0.564 -1.939 -9.749 198 HG23 THR 23 2HG2 THR 23 -0.047 -3.316 -10.720 199 H ARG 24 H ARG 24 -3.613 -0.524 -9.141 200 HA ARG 24 HA ARG 24 -1.468 1.057 -8.083 201 HB2 ARG 24 2HB ARG 24 -3.852 2.402 -9.261 202 HB3 ARG 24 3HB ARG 24 -3.282 3.019 -7.717 203 HG2 ARG 24 2HG ARG 24 -1.097 3.476 -8.657 204 HG3 ARG 24 3HG ARG 24 -1.573 2.738 -10.188 205 HD2 ARG 24 2HD ARG 24 -2.853 5.188 -8.964 206 HD3 ARG 24 3HD ARG 24 -1.649 5.205 -10.255 207 HE ARG 24 HE ARG 24 -3.844 3.560 -10.958 208 HH11 ARG 24 1HH1 ARG 24 -2.981 6.887 -10.646 209 HH12 ARG 24 2HH1 ARG 24 -4.066 7.385 -11.896 210 HH21 ARG 24 1HH2 ARG 24 -5.237 4.207 -12.501 211 HH22 ARG 24 2HH2 ARG 24 -5.354 5.884 -12.925 212 H ILE 25 H ILE 25 -2.153 2.065 -5.911 213 HA ILE 25 HA ILE 25 -4.323 0.632 -4.572 214 HB ILE 25 HB ILE 25 -2.452 -0.897 -4.314 215 HG12 ILE 25 2HG1 ILE 25 -2.975 0.614 -1.734 216 HG13 ILE 25 3HG1 ILE 25 -4.006 -0.643 -2.408 217 HG21 ILE 25 1HG2 ILE 25 -0.618 0.683 -4.656 218 HG22 ILE 25 2HG2 ILE 25 -0.379 -0.258 -3.184 219 HG23 ILE 25 3HG2 ILE 25 -0.942 1.410 -3.081 220 HD11 ILE 25 3HD1 ILE 25 -2.670 -1.535 -0.619 221 HD12 ILE 25 1HD1 ILE 25 -1.189 -0.986 -1.404 222 HD13 ILE 25 2HD1 ILE 25 -2.165 -2.253 -2.149 223 H ASN 26 H ASN 26 -5.224 1.774 -2.902 224 HA ASN 26 HA ASN 26 -4.420 4.492 -2.459 225 HB2 ASN 26 2HB ASN 26 -6.449 2.801 -0.969 226 HB3 ASN 26 3HB ASN 26 -6.259 4.544 -0.805 227 HD21 ASN 26 1HD2 ASN 26 -8.586 3.075 -1.616 228 HD22 ASN 26 2HD2 ASN 26 -8.989 3.634 -3.199 229 H VAL 27 H VAL 27 -2.610 4.908 -1.343 230 HA VAL 27 HA VAL 27 -1.818 3.159 0.871 231 HB VAL 27 HB VAL 27 -0.248 5.355 -0.497 232 HG11 VAL 27 1HG1 VAL 27 0.528 4.941 1.777 233 HG12 VAL 27 2HG1 VAL 27 1.702 4.351 0.601 234 HG13 VAL 27 3HG1 VAL 27 0.645 3.212 1.438 235 HG21 VAL 27 3HG2 VAL 27 0.967 3.528 -1.604 236 HG22 VAL 27 1HG2 VAL 27 -0.740 3.541 -2.043 237 HG23 VAL 27 2HG2 VAL 27 -0.138 2.360 -0.880 238 H VAL 28 H VAL 28 -2.207 3.734 2.912 239 HA VAL 28 HA VAL 28 -2.698 6.540 3.591 240 HB VAL 28 HB VAL 28 -2.943 4.086 5.353 241 HG11 VAL 28 1HG1 VAL 28 -4.222 5.567 6.849 242 HG12 VAL 28 2HG1 VAL 28 -3.880 6.931 5.785 243 HG13 VAL 28 3HG1 VAL 28 -2.563 6.128 6.638 244 HG21 VAL 28 3HG2 VAL 28 -4.539 3.997 3.510 245 HG22 VAL 28 1HG2 VAL 28 -5.078 5.637 3.873 246 HG23 VAL 28 2HG2 VAL 28 -5.373 4.335 5.026 247 H ASP 29 H ASP 29 -0.989 7.721 4.098 248 HA ASP 29 HA ASP 29 1.522 6.590 4.939 249 HB2 ASP 29 2HB ASP 29 1.275 8.526 3.375 250 HB3 ASP 29 3HB ASP 29 0.666 9.488 4.714 251 HA PRO 30 HA PRO 30 0.301 7.078 9.290 252 HB2 PRO 30 2HB PRO 30 2.131 5.479 10.383 253 HB3 PRO 30 3HB PRO 30 0.849 4.801 9.364 254 HG2 PRO 30 2HG PRO 30 3.691 5.454 8.631 255 HG3 PRO 30 3HG PRO 30 2.767 3.977 8.297 256 HD2 PRO 30 2HD PRO 30 3.080 6.007 6.478 257 HD3 PRO 30 3HD PRO 30 1.679 4.917 6.497 258 H GLU 31 H GLU 31 3.194 8.099 7.760 259 HA GLU 31 HA GLU 31 4.576 9.091 10.088 260 HB2 GLU 31 2HB GLU 31 5.007 9.773 7.166 261 HB3 GLU 31 3HB GLU 31 6.138 10.066 8.478 262 HG2 GLU 31 2HG GLU 31 5.223 7.323 7.636 263 HG3 GLU 31 3HG GLU 31 6.675 8.108 7.018 264 H THR 32 H THR 32 2.522 10.436 7.564 265 HA THR 32 HA THR 32 2.424 13.028 8.997 266 HB THR 32 HB THR 32 1.905 14.068 6.780 267 HG1 THR 32 HG1 THR 32 2.889 11.685 5.593 268 HG21 THR 32 3HG2 THR 32 4.209 13.996 5.923 269 HG22 THR 32 1HG2 THR 32 4.540 12.595 6.944 270 HG23 THR 32 2HG2 THR 32 4.177 14.158 7.679 271 H GLY 33 H GLY 33 0.593 10.477 7.471 272 HA2 GLY 33 2HA GLY 33 -1.651 9.964 7.945 273 HA3 GLY 33 3HA GLY 33 -1.882 11.587 8.564 274 H LYS 34 H LYS 34 -0.414 11.007 5.427 275 HA LYS 34 HA LYS 34 -2.763 12.230 4.149 276 HB2 LYS 34 2HB LYS 34 -1.347 12.762 2.281 277 HB3 LYS 34 3HB LYS 34 -0.515 13.245 3.751 278 HG2 LYS 34 2HG LYS 34 0.944 11.334 3.626 279 HG3 LYS 34 3HG LYS 34 0.034 10.676 2.264 280 HD2 LYS 34 2HD LYS 34 0.653 12.729 0.960 281 HD3 LYS 34 3HD LYS 34 1.700 13.199 2.299 282 HE2 LYS 34 2HE LYS 34 1.948 10.628 0.727 283 HE3 LYS 34 3HE LYS 34 2.917 12.075 0.455 284 HZ1 LYS 34 3HZ LYS 34 3.751 11.869 2.737 285 HZ2 LYS 34 1HZ LYS 34 4.121 10.508 1.803 286 HZ3 LYS 34 2HZ LYS 34 2.872 10.439 2.931 287 H VAL 35 H VAL 35 -3.920 11.232 2.509 288 HA VAL 35 HA VAL 35 -3.310 8.379 2.025 289 HB VAL 35 HB VAL 35 -5.949 9.813 1.608 290 HG11 VAL 35 1HG1 VAL 35 -5.276 6.865 1.556 291 HG12 VAL 35 2HG1 VAL 35 -5.650 7.864 0.153 292 HG13 VAL 35 3HG1 VAL 35 -6.886 7.561 1.373 293 HG21 VAL 35 3HG2 VAL 35 -6.715 8.677 3.635 294 HG22 VAL 35 1HG2 VAL 35 -5.335 9.717 3.992 295 HG23 VAL 35 2HG2 VAL 35 -5.115 7.971 3.860 296 H GLU 36 H GLU 36 -2.291 8.029 0.139 297 HA GLU 36 HA GLU 36 -3.132 9.555 -2.241 298 HB2 GLU 36 2HB GLU 36 -1.091 10.597 -1.412 299 HB3 GLU 36 3HB GLU 36 -0.278 9.038 -1.371 300 HG2 GLU 36 2HG GLU 36 -0.360 8.881 -3.784 301 HG3 GLU 36 3HG GLU 36 -1.303 10.366 -3.879 302 H ILE 37 H ILE 37 -3.141 8.432 -4.166 303 HA ILE 37 HA ILE 37 -3.070 5.539 -3.975 304 HB ILE 37 HB ILE 37 -3.649 7.251 -6.410 305 HG12 ILE 37 2HG1 ILE 37 -5.586 6.087 -4.382 306 HG13 ILE 37 3HG1 ILE 37 -5.171 7.791 -4.525 307 HG21 ILE 37 1HG2 ILE 37 -4.814 5.252 -7.238 308 HG22 ILE 37 2HG2 ILE 37 -4.332 4.366 -5.790 309 HG23 ILE 37 3HG2 ILE 37 -3.108 4.922 -6.933 310 HD11 ILE 37 3HD1 ILE 37 -7.319 7.303 -5.544 311 HD12 ILE 37 1HD1 ILE 37 -6.558 6.136 -6.624 312 HD13 ILE 37 2HD1 ILE 37 -6.156 7.850 -6.750 313 H ALA 38 H ALA 38 -1.173 4.490 -4.181 314 HA ALA 38 HA ALA 38 0.932 5.626 -5.907 315 HB1 ALA 38 3HB ALA 38 1.532 5.246 -3.562 316 HB2 ALA 38 1HB ALA 38 2.499 4.250 -4.652 317 HB3 ALA 38 2HB ALA 38 1.166 3.532 -3.746 318 H GLU 39 H GLU 39 2.211 4.204 -7.238 319 HA GLU 39 HA GLU 39 0.621 2.212 -8.616 320 HB2 GLU 39 2HB GLU 39 3.488 3.046 -9.140 321 HB3 GLU 39 3HB GLU 39 2.431 2.162 -10.233 322 HG2 GLU 39 2HG GLU 39 0.997 4.092 -10.474 323 HG3 GLU 39 3HG GLU 39 1.957 4.986 -9.297 324 H ILE 40 H ILE 40 0.880 0.005 -8.513 325 HA ILE 40 HA ILE 40 2.641 -1.046 -6.461 326 HB ILE 40 HB ILE 40 0.760 -2.533 -8.317 327 HG12 ILE 40 2HG1 ILE 40 0.378 -1.639 -5.441 328 HG13 ILE 40 3HG1 ILE 40 -0.415 -0.936 -6.846 329 HG21 ILE 40 1HG2 ILE 40 2.523 -3.976 -7.446 330 HG22 ILE 40 2HG2 ILE 40 0.969 -4.383 -6.716 331 HG23 ILE 40 3HG2 ILE 40 2.159 -3.455 -5.799 332 HD11 ILE 40 3HD1 ILE 40 -1.569 -3.048 -7.256 333 HD12 ILE 40 1HD1 ILE 40 -1.904 -2.422 -5.642 334 HD13 ILE 40 2HD1 ILE 40 -0.771 -3.758 -5.850 335 H ARG 41 H ARG 41 4.708 -1.364 -6.933 336 HA ARG 41 HA ARG 41 5.649 -1.936 -9.606 337 HB2 ARG 41 2HB ARG 41 7.178 -1.821 -6.990 338 HB3 ARG 41 3HB ARG 41 7.886 -1.827 -8.602 339 HG2 ARG 41 2HG ARG 41 6.887 0.333 -9.083 340 HG3 ARG 41 3HG ARG 41 6.072 0.330 -7.519 341 HD2 ARG 41 2HD ARG 41 8.044 1.736 -7.426 342 HD3 ARG 41 3HD ARG 41 8.261 0.321 -6.396 343 HE ARG 41 HE ARG 41 9.731 -0.591 -8.083 344 HH11 ARG 41 1HH1 ARG 41 8.911 2.732 -8.442 345 HH12 ARG 41 2HH1 ARG 41 10.319 3.092 -9.373 346 HH21 ARG 41 1HH2 ARG 41 11.535 -0.121 -9.271 347 HH22 ARG 41 2HH2 ARG 41 11.780 1.486 -9.862 348 H ASN 42 H ASN 42 5.835 -3.620 -6.458 349 HA ASN 42 HA ASN 42 5.923 -6.182 -7.927 350 HB2 ASN 42 2HB ASN 42 7.341 -5.558 -5.321 351 HB3 ASN 42 3HB ASN 42 7.313 -7.124 -6.124 352 HD21 ASN 42 1HD2 ASN 42 9.618 -5.654 -5.429 353 HD22 ASN 42 2HD2 ASN 42 10.450 -5.268 -6.892 354 H VAL 43 H VAL 43 4.429 -7.654 -7.359 355 HA VAL 43 HA VAL 43 2.500 -6.977 -5.283 356 HB VAL 43 HB VAL 43 1.188 -8.875 -6.150 357 HG11 VAL 43 1HG1 VAL 43 2.212 -7.014 -8.300 358 HG12 VAL 43 2HG1 VAL 43 0.900 -6.684 -7.168 359 HG13 VAL 43 3HG1 VAL 43 0.718 -7.952 -8.381 360 HG21 VAL 43 3HG2 VAL 43 3.034 -10.355 -6.786 361 HG22 VAL 43 1HG2 VAL 43 3.476 -9.258 -8.093 362 HG23 VAL 43 2HG2 VAL 43 1.930 -10.105 -8.136 363 H VAL 44 H VAL 44 5.367 -8.224 -4.913 364 HA VAL 44 HA VAL 44 4.536 -10.108 -2.826 365 HB VAL 44 HB VAL 44 5.122 -11.527 -4.702 366 HG11 VAL 44 1HG1 VAL 44 7.791 -10.115 -4.715 367 HG12 VAL 44 2HG1 VAL 44 6.537 -9.991 -5.951 368 HG13 VAL 44 3HG1 VAL 44 7.367 -11.527 -5.684 369 HG21 VAL 44 3HG2 VAL 44 5.724 -12.329 -2.472 370 HG22 VAL 44 1HG2 VAL 44 7.302 -11.549 -2.603 371 HG23 VAL 44 2HG2 VAL 44 6.889 -12.887 -3.674 372 H GLU 45 H GLU 45 5.681 -9.996 -0.976 373 HA GLU 45 HA GLU 45 7.431 -7.744 -0.603 374 HB2 GLU 45 2HB GLU 45 7.358 -8.454 1.800 375 HB3 GLU 45 3HB GLU 45 5.781 -8.168 1.074 376 HG2 GLU 45 2HG GLU 45 5.623 -10.655 0.699 377 HG3 GLU 45 3HG GLU 45 7.070 -10.815 1.693 378 H ASN 46 H ASN 46 8.570 -9.861 -2.255 379 HA ASN 46 HA ASN 46 10.572 -10.857 -2.637 380 HB2 ASN 46 2HB ASN 46 11.259 -8.519 -1.946 381 HB3 ASN 46 3HB ASN 46 11.599 -9.164 -0.345 382 HD21 ASN 46 1HD2 ASN 46 13.420 -10.431 -0.049 383 HD22 ASN 46 2HD2 ASN 46 14.655 -10.579 -1.248 384 H THR 47 H THR 47 8.763 -12.093 -0.594 385 HA THR 47 HA THR 47 10.545 -13.370 1.304 386 HB THR 47 HB THR 47 8.214 -12.920 1.945 387 HG1 THR 47 HG1 THR 47 7.759 -15.211 2.602 388 HG21 THR 47 3HG2 THR 47 7.107 -13.260 -0.203 389 HG22 THR 47 1HG2 THR 47 6.391 -14.311 1.021 390 HG23 THR 47 2HG2 THR 47 7.514 -14.977 -0.165 391 H ALA 48 H ALA 48 10.481 -15.837 1.479 392 HA ALA 48 HA ALA 48 11.010 -16.969 -1.198 393 HB1 ALA 48 3HB ALA 48 12.939 -16.862 0.331 394 HB2 ALA 48 1HB ALA 48 12.524 -18.521 -0.111 395 HB3 ALA 48 2HB ALA 48 12.074 -17.888 1.473 396 H ASN 49 H ASN 49 9.329 -18.135 -1.922 397 HA ASN 49 HA ASN 49 7.599 -19.598 -2.059 398 HB2 ASN 49 2HB ASN 49 9.438 -21.186 -1.498 399 HB3 ASN 49 3HB ASN 49 9.011 -21.038 0.204 400 HD21 ASN 49 1HD2 ASN 49 8.061 -22.305 -2.883 401 HD22 ASN 49 2HD2 ASN 49 6.823 -23.351 -2.291 402 HA PRO 50 HA PRO 50 5.194 -17.546 1.310 403 HB2 PRO 50 2HB PRO 50 3.081 -17.732 -0.765 404 HB3 PRO 50 3HB PRO 50 3.628 -16.330 0.164 405 HG2 PRO 50 2HG PRO 50 4.224 -16.590 -2.433 406 HG3 PRO 50 3HG PRO 50 5.381 -15.884 -1.290 407 HD2 PRO 50 2HD PRO 50 5.316 -18.646 -2.462 408 HD3 PRO 50 3HD PRO 50 6.706 -17.574 -2.180 409 H HIS 51 H HIS 51 4.710 -19.077 2.827 410 HA HIS 51 HA HIS 51 3.493 -21.593 2.145 411 HB2 HIS 51 2HB HIS 51 4.112 -20.351 4.832 412 HB3 HIS 51 3HB HIS 51 3.514 -21.994 4.610 413 HD1 HIS 51 HD1 HIS 51 6.586 -20.046 4.757 414 HD2 HIS 51 HD2 HIS 51 5.397 -23.676 3.122 415 HE1 HIS 51 HE1 HIS 51 8.703 -21.308 4.308 416 HE2 HIS 51 HE2 HIS 51 7.943 -23.575 3.537 417 H PHE 52 H PHE 52 2.152 -18.590 2.472 418 HA PHE 52 HA PHE 52 -0.401 -19.550 3.546 419 HB2 PHE 52 2HB PHE 52 0.531 -17.344 4.273 420 HB3 PHE 52 3HB PHE 52 0.362 -16.761 2.623 421 HD1 PHE 52 HD2 PHE 52 -1.749 -18.455 5.207 422 HD2 PHE 52 HD1 PHE 52 -1.495 -15.447 2.200 423 HE1 PHE 52 HE2 PHE 52 -4.050 -17.754 5.714 424 HE2 PHE 52 HE1 PHE 52 -3.797 -14.745 2.705 425 HZ PHE 52 HZ PHE 52 -5.078 -15.900 4.463 426 H VAL 53 H VAL 53 0.874 -20.199 0.809 427 HA VAL 53 HA VAL 53 0.200 -20.642 -1.315 428 HB VAL 53 HB VAL 53 -2.632 -20.049 -0.413 429 HG11 VAL 53 1HG1 VAL 53 -2.407 -20.413 -2.812 430 HG12 VAL 53 2HG1 VAL 53 -3.237 -21.775 -2.063 431 HG13 VAL 53 3HG1 VAL 53 -1.542 -21.923 -2.524 432 HG21 VAL 53 3HG2 VAL 53 -1.603 -21.533 1.224 433 HG22 VAL 53 1HG2 VAL 53 -1.064 -22.610 -0.066 434 HG23 VAL 53 2HG2 VAL 53 -2.786 -22.410 0.255 435 H ARG 54 H ARG 54 0.836 -17.855 -0.509 436 HA ARG 54 HA ARG 54 -0.841 -16.151 -2.113 437 HB2 ARG 54 2HB ARG 54 1.813 -15.623 -0.762 438 HB3 ARG 54 3HB ARG 54 0.896 -14.402 -1.635 439 HG2 ARG 54 2HG ARG 54 -0.983 -14.733 -0.067 440 HG3 ARG 54 3HG ARG 54 -0.002 -15.891 0.830 441 HD2 ARG 54 2HD ARG 54 0.727 -12.994 0.369 442 HD3 ARG 54 3HD ARG 54 -0.013 -13.627 1.840 443 HE ARG 54 HE ARG 54 2.239 -15.133 1.510 444 HH11 ARG 54 1HH1 ARG 54 1.593 -11.765 1.756 445 HH12 ARG 54 2HH1 ARG 54 3.120 -11.402 2.480 446 HH21 ARG 54 1HH2 ARG 54 4.193 -14.676 2.464 447 HH22 ARG 54 2HH2 ARG 54 4.580 -13.044 2.891 448 H ARG 55 H ARG 55 -0.573 -17.581 -4.047 449 HA ARG 55 HA ARG 55 1.854 -17.450 -5.563 450 HB2 ARG 55 2HB ARG 55 0.328 -19.281 -5.924 451 HB3 ARG 55 3HB ARG 55 -0.987 -18.184 -6.311 452 HG2 ARG 55 2HG ARG 55 0.145 -17.521 -8.367 453 HG3 ARG 55 3HG ARG 55 1.508 -18.571 -7.964 454 HD2 ARG 55 2HD ARG 55 0.211 -20.526 -8.223 455 HD3 ARG 55 3HD ARG 55 -1.303 -19.621 -8.214 456 HE ARG 55 HE ARG 55 -0.108 -18.639 -10.387 457 HH11 ARG 55 1HH1 ARG 55 -0.432 -21.915 -9.351 458 HH12 ARG 55 2HH1 ARG 55 -0.590 -22.515 -10.967 459 HH21 ARG 55 1HH2 ARG 55 -0.324 -19.422 -12.435 460 HH22 ARG 55 2HH2 ARG 55 -0.549 -21.120 -12.691 461 H ASN 56 H ASN 56 2.201 -15.125 -5.322 462 HA ASN 56 HA ASN 56 2.171 -12.941 -5.953 463 HB2 ASN 56 2HB ASN 56 1.253 -14.225 -8.529 464 HB3 ASN 56 3HB ASN 56 1.671 -12.519 -8.394 465 HD21 ASN 56 1HD2 ASN 56 3.395 -12.698 -9.810 466 HD22 ASN 56 2HD2 ASN 56 4.860 -13.504 -9.388 467 H ILE 57 H ILE 57 -0.440 -14.216 -4.944 468 HA ILE 57 HA ILE 57 -2.432 -12.428 -6.106 469 HB ILE 57 HB ILE 57 -3.153 -14.703 -5.801 470 HG12 ILE 57 2HG1 ILE 57 -4.463 -12.897 -3.745 471 HG13 ILE 57 3HG1 ILE 57 -4.838 -12.941 -5.464 472 HG21 ILE 57 1HG2 ILE 57 -3.303 -15.778 -3.610 473 HG22 ILE 57 2HG2 ILE 57 -2.535 -14.377 -2.863 474 HG23 ILE 57 3HG2 ILE 57 -1.636 -15.367 -4.012 475 HD11 ILE 57 3HD1 ILE 57 -5.635 -15.237 -5.229 476 HD12 ILE 57 1HD1 ILE 57 -6.502 -14.130 -4.164 477 HD13 ILE 57 2HD1 ILE 57 -5.256 -15.190 -3.507 478 H ILE 58 H ILE 58 -2.996 -10.571 -5.242 479 HA ILE 58 HA ILE 58 -1.794 -9.539 -2.885 480 HB ILE 58 HB ILE 58 -4.122 -8.471 -4.506 481 HG12 ILE 58 2HG1 ILE 58 -1.158 -7.803 -4.590 482 HG13 ILE 58 3HG1 ILE 58 -2.021 -8.762 -5.787 483 HG21 ILE 58 1HG2 ILE 58 -3.614 -6.293 -3.478 484 HG22 ILE 58 2HG2 ILE 58 -2.408 -7.065 -2.450 485 HG23 ILE 58 3HG2 ILE 58 -4.112 -7.484 -2.278 486 HD11 ILE 58 3HD1 ILE 58 -3.399 -6.799 -6.328 487 HD12 ILE 58 1HD1 ILE 58 -1.677 -6.526 -6.601 488 HD13 ILE 58 2HD1 ILE 58 -2.462 -5.849 -5.174 489 H THR 59 H THR 59 -2.328 -10.026 -0.854 490 HA THR 59 HA THR 59 -5.137 -10.590 -0.146 491 HB THR 59 HB THR 59 -4.394 -12.482 1.295 492 HG1 THR 59 HG1 THR 59 -1.947 -12.492 -0.131 493 HG21 THR 59 3HG2 THR 59 -5.289 -12.954 -0.933 494 HG22 THR 59 1HG2 THR 59 -4.022 -14.107 -0.513 495 HG23 THR 59 2HG2 THR 59 -3.676 -12.783 -1.626 496 H ARG 60 H ARG 60 -5.597 -10.464 2.155 497 HA ARG 60 HA ARG 60 -4.656 -8.193 3.445 498 HB2 ARG 60 2HB ARG 60 -6.771 -9.264 4.027 499 HB3 ARG 60 3HB ARG 60 -5.916 -10.671 4.650 500 HG2 ARG 60 2HG ARG 60 -4.789 -8.840 6.213 501 HG3 ARG 60 3HG ARG 60 -6.286 -7.974 5.857 502 HD2 ARG 60 2HD ARG 60 -6.502 -9.295 7.904 503 HD3 ARG 60 3HD ARG 60 -7.588 -9.895 6.648 504 HE ARG 60 HE ARG 60 -4.978 -11.180 7.050 505 HH11 ARG 60 1HH1 ARG 60 -8.408 -11.345 7.266 506 HH12 ARG 60 2HH1 ARG 60 -8.429 -13.071 7.359 507 HH21 ARG 60 1HH2 ARG 60 -5.007 -13.379 7.177 508 HH22 ARG 60 2HH2 ARG 60 -6.516 -14.217 7.303 509 H GLY 61 H GLY 61 -2.889 -7.719 4.636 510 HA2 GLY 61 2HA GLY 61 -1.224 -8.111 6.256 511 HA3 GLY 61 3HA GLY 61 -1.462 -9.839 6.067 512 H ALA 62 H ALA 62 -1.278 -9.047 2.994 513 HA ALA 62 HA ALA 62 1.540 -9.665 2.767 514 HB1 ALA 62 3HB ALA 62 1.135 -9.764 0.372 515 HB2 ALA 62 1HB ALA 62 -0.470 -9.068 0.591 516 HB3 ALA 62 2HB ALA 62 -0.107 -10.670 1.238 517 H VAL 63 H VAL 63 3.148 -8.358 1.897 518 HA VAL 63 HA VAL 63 2.525 -5.475 1.861 519 HB VAL 63 HB VAL 63 5.199 -6.814 2.338 520 HG11 VAL 63 1HG1 VAL 63 5.958 -4.580 3.013 521 HG12 VAL 63 2HG1 VAL 63 4.386 -3.911 2.575 522 HG13 VAL 63 3HG1 VAL 63 5.430 -4.598 1.330 523 HG21 VAL 63 3HG2 VAL 63 3.651 -7.236 4.179 524 HG22 VAL 63 1HG2 VAL 63 3.295 -5.511 4.295 525 HG23 VAL 63 2HG2 VAL 63 4.910 -6.106 4.677 526 H VAL 64 H VAL 64 2.633 -4.430 -0.019 527 HA VAL 64 HA VAL 64 4.104 -5.650 -2.270 528 HB VAL 64 HB VAL 64 2.693 -4.306 -3.766 529 HG11 VAL 64 1HG1 VAL 64 1.943 -6.547 -3.169 530 HG12 VAL 64 2HG1 VAL 64 0.563 -5.470 -3.382 531 HG13 VAL 64 3HG1 VAL 64 1.098 -5.909 -1.758 532 HG21 VAL 64 3HG2 VAL 64 0.758 -3.062 -2.881 533 HG22 VAL 64 1HG2 VAL 64 2.287 -2.382 -2.325 534 HG23 VAL 64 2HG2 VAL 64 1.318 -3.377 -1.238 535 H GLU 65 H GLU 65 5.322 -4.276 -3.688 536 HA GLU 65 HA GLU 65 6.570 -2.013 -2.301 537 HB2 GLU 65 2HB GLU 65 8.018 -3.778 -3.254 538 HB3 GLU 65 3HB GLU 65 7.377 -3.437 -4.854 539 HG2 GLU 65 2HG GLU 65 9.555 -2.423 -4.598 540 HG3 GLU 65 3HG GLU 65 8.320 -1.174 -4.748 541 H THR 66 H THR 66 6.387 0.101 -2.974 542 HA THR 66 HA THR 66 4.983 0.658 -5.518 543 HB THR 66 HB THR 66 3.502 2.278 -4.506 544 HG1 THR 66 HG1 THR 66 4.519 1.527 -1.948 545 HG21 THR 66 3HG2 THR 66 3.402 -0.307 -2.939 546 HG22 THR 66 1HG2 THR 66 2.696 -0.038 -4.533 547 HG23 THR 66 2HG2 THR 66 2.072 0.837 -3.132 548 H ASN 67 H ASN 67 4.891 3.232 -5.777 549 HA ASN 67 HA ASN 67 7.585 4.151 -5.853 550 HB2 ASN 67 2HB ASN 67 6.672 6.245 -6.738 551 HB3 ASN 67 3HB ASN 67 5.932 4.855 -7.523 552 HD21 ASN 67 1HD2 ASN 67 5.431 7.540 -5.400 553 HD22 ASN 67 2HD2 ASN 67 3.707 7.444 -5.360 554 H LEU 68 H LEU 68 5.244 4.229 -3.374 555 HA LEU 68 HA LEU 68 6.569 6.434 -1.951 556 HB2 LEU 68 2HB LEU 68 4.056 4.881 -1.308 557 HB3 LEU 68 3HB LEU 68 4.711 6.166 -0.309 558 HG LEU 68 HG LEU 68 3.695 6.484 -3.141 559 HD11 LEU 68 1HD1 LEU 68 1.898 6.094 -1.532 560 HD12 LEU 68 2HD1 LEU 68 1.880 7.757 -2.122 561 HD13 LEU 68 3HD1 LEU 68 2.516 7.398 -0.516 562 HD21 LEU 68 3HD2 LEU 68 4.713 8.548 -1.185 563 HD22 LEU 68 1HD2 LEU 68 3.985 8.886 -2.755 564 HD23 LEU 68 2HD2 LEU 68 5.521 8.030 -2.662 565 H GLY 69 H GLY 69 6.658 3.051 -2.156 566 HA2 GLY 69 2HA GLY 69 8.579 2.102 -0.826 567 HA3 GLY 69 3HA GLY 69 7.790 2.812 0.572 568 H ASN 70 H ASN 70 7.597 0.776 1.604 569 HA ASN 70 HA ASN 70 6.181 -1.382 0.285 570 HB2 ASN 70 2HB ASN 70 7.123 -1.137 3.156 571 HB3 ASN 70 3HB ASN 70 6.543 -2.607 2.382 572 HD21 ASN 70 1HD2 ASN 70 7.912 -1.904 -0.151 573 HD22 ASN 70 2HD2 ASN 70 9.578 -2.248 0.131 574 H VAL 71 H VAL 71 4.031 -1.793 0.419 575 HA VAL 71 HA VAL 71 2.454 -0.321 2.442 576 HB VAL 71 HB VAL 71 1.570 -0.995 -0.375 577 HG11 VAL 71 1HG1 VAL 71 0.212 0.624 1.785 578 HG12 VAL 71 2HG1 VAL 71 -0.296 -0.954 1.185 579 HG13 VAL 71 3HG1 VAL 71 -0.359 0.453 0.125 580 HG21 VAL 71 3HG2 VAL 71 3.294 0.740 -0.387 581 HG22 VAL 71 1HG2 VAL 71 2.381 1.671 0.802 582 HG23 VAL 71 2HG2 VAL 71 1.723 1.416 -0.814 583 H ARG 72 H ARG 72 1.030 -1.475 3.640 584 HA ARG 72 HA ARG 72 0.947 -4.375 3.228 585 HB2 ARG 72 2HB ARG 72 1.557 -3.540 5.450 586 HB3 ARG 72 3HB ARG 72 0.033 -2.678 5.562 587 HG2 ARG 72 2HG ARG 72 -1.202 -4.740 5.617 588 HG3 ARG 72 3HG ARG 72 0.262 -5.675 5.308 589 HD2 ARG 72 2HD ARG 72 -0.169 -3.936 7.740 590 HD3 ARG 72 3HD ARG 72 -0.466 -5.675 7.695 591 HE ARG 72 HE ARG 72 2.059 -5.600 6.907 592 HH11 ARG 72 1HH1 ARG 72 0.540 -3.850 9.449 593 HH12 ARG 72 2HH1 ARG 72 1.955 -3.856 10.445 594 HH21 ARG 72 1HH2 ARG 72 3.870 -5.598 8.181 595 HH22 ARG 72 2HH2 ARG 72 3.823 -4.836 9.731 596 H VAL 73 H VAL 73 -0.728 -5.300 2.243 597 HA VAL 73 HA VAL 73 -3.120 -3.967 1.510 598 HB VAL 73 HB VAL 73 -2.672 -6.960 1.660 599 HG11 VAL 73 1HG1 VAL 73 -5.007 -6.338 1.343 600 HG12 VAL 73 2HG1 VAL 73 -4.356 -7.073 -0.121 601 HG13 VAL 73 3HG1 VAL 73 -4.569 -5.325 -0.033 602 HG21 VAL 73 3HG2 VAL 73 -0.875 -5.889 0.377 603 HG22 VAL 73 1HG2 VAL 73 -2.076 -5.095 -0.644 604 HG23 VAL 73 2HG2 VAL 73 -1.926 -6.853 -0.659 605 H THR 74 H THR 74 -4.656 -3.346 2.938 606 HA THR 74 HA THR 74 -5.057 -4.852 5.417 607 HB THR 74 HB THR 74 -6.436 -3.009 6.174 608 HG1 THR 74 HG1 THR 74 -6.122 -1.232 4.173 609 HG21 THR 74 3HG2 THR 74 -3.946 -1.999 4.787 610 HG22 THR 74 1HG2 THR 74 -4.021 -2.714 6.398 611 HG23 THR 74 2HG2 THR 74 -4.805 -1.167 6.082 612 H SER 75 H SER 75 -6.853 -3.951 2.514 613 HA SER 75 HA SER 75 -9.037 -5.764 3.353 614 HB2 SER 75 2HB SER 75 -9.187 -3.260 1.657 615 HB3 SER 75 3HB SER 75 -10.525 -4.389 1.873 616 HG SER 75 HG SER 75 -9.189 -3.063 4.000 617 H ARG 76 H ARG 76 -10.255 -6.773 1.573 618 HA ARG 76 HA ARG 76 -8.509 -8.148 -0.198 619 HB2 ARG 76 2HB ARG 76 -11.533 -8.075 -0.079 620 HB3 ARG 76 3HB ARG 76 -10.601 -9.200 -1.056 621 HG2 ARG 76 2HG ARG 76 -10.449 -9.007 1.951 622 HG3 ARG 76 3HG ARG 76 -11.427 -10.175 1.062 623 HD2 ARG 76 2HD ARG 76 -9.383 -11.069 0.016 624 HD3 ARG 76 3HD ARG 76 -8.417 -9.917 0.937 625 HE ARG 76 HE ARG 76 -9.743 -11.224 2.876 626 HH11 ARG 76 1HH1 ARG 76 -7.922 -12.348 0.170 627 HH12 ARG 76 2HH1 ARG 76 -7.451 -13.817 0.955 628 HH21 ARG 76 1HH2 ARG 76 -9.109 -13.093 3.887 629 HH22 ARG 76 2HH2 ARG 76 -8.113 -14.233 3.050 630 HA PRO 77 HA PRO 77 -8.459 -5.405 -3.711 631 HB2 PRO 77 2HB PRO 77 -7.974 -7.282 -5.671 632 HB3 PRO 77 3HB PRO 77 -6.733 -6.607 -4.611 633 HG2 PRO 77 2HG PRO 77 -8.212 -9.203 -4.378 634 HG3 PRO 77 3HG PRO 77 -6.489 -8.865 -4.119 635 HD2 PRO 77 2HD PRO 77 -8.189 -9.136 -2.053 636 HD3 PRO 77 3HD PRO 77 -6.850 -7.966 -2.003 637 H GLY 78 H GLY 78 -10.546 -4.660 -3.946 638 HA2 GLY 78 2HA GLY 78 -12.109 -5.193 -6.093 639 HA3 GLY 78 3HA GLY 78 -12.672 -6.379 -4.926 640 H GLN 79 H GLN 79 -12.110 -4.472 -2.690 641 HA GLN 79 HA GLN 79 -14.642 -3.298 -2.409 642 HB2 GLN 79 2HB GLN 79 -12.047 -2.565 -1.022 643 HB3 GLN 79 3HB GLN 79 -13.655 -2.092 -0.486 644 HG2 GLN 79 2HG GLN 79 -12.627 -4.924 -0.679 645 HG3 GLN 79 3HG GLN 79 -12.782 -3.981 0.802 646 HE21 GLN 79 1HE2 GLN 79 -14.044 -6.522 0.058 647 HE22 GLN 79 2HE2 GLN 79 -15.744 -6.252 0.172 648 H ASP 80 H ASP 80 -15.509 -1.554 -3.358 649 HA ASP 80 HA ASP 80 -15.773 0.362 -4.552 650 HB2 ASP 80 2HB ASP 80 -14.563 1.298 -2.532 651 HB3 ASP 80 3HB ASP 80 -13.072 1.207 -3.462 652 H GLY 81 H GLY 81 -13.981 -1.974 -5.518 653 HA2 GLY 81 2HA GLY 81 -13.056 -2.521 -7.566 654 HA3 GLY 81 3HA GLY 81 -13.292 -0.860 -8.081 655 H VAL 82 H VAL 82 -11.625 -1.020 -5.142 656 HA VAL 82 HA VAL 82 -9.001 -0.858 -6.473 657 HB VAL 82 HB VAL 82 -10.002 1.428 -6.162 658 HG11 VAL 82 1HG1 VAL 82 -9.682 0.811 -3.227 659 HG12 VAL 82 2HG1 VAL 82 -11.202 1.047 -4.088 660 HG13 VAL 82 3HG1 VAL 82 -10.074 2.390 -3.909 661 HG21 VAL 82 3HG2 VAL 82 -7.565 1.098 -6.319 662 HG22 VAL 82 1HG2 VAL 82 -7.480 0.944 -4.564 663 HG23 VAL 82 2HG2 VAL 82 -7.985 2.470 -5.292 664 H ILE 83 H ILE 83 -7.179 -0.848 -4.847 665 HA ILE 83 HA ILE 83 -7.785 -2.579 -2.539 666 HB ILE 83 HB ILE 83 -5.086 -2.017 -3.801 667 HG12 ILE 83 2HG1 ILE 83 -6.911 -4.414 -4.170 668 HG13 ILE 83 3HG1 ILE 83 -6.606 -3.167 -5.377 669 HG21 ILE 83 1HG2 ILE 83 -5.943 -4.150 -1.833 670 HG22 ILE 83 2HG2 ILE 83 -4.979 -2.723 -1.453 671 HG23 ILE 83 3HG2 ILE 83 -4.330 -3.965 -2.523 672 HD11 ILE 83 3HD1 ILE 83 -4.568 -5.070 -4.248 673 HD12 ILE 83 1HD1 ILE 83 -4.255 -3.813 -5.447 674 HD13 ILE 83 2HD1 ILE 83 -5.323 -5.161 -5.842 675 H ASN 84 H ASN 84 -7.095 -1.998 -0.462 676 HA ASN 84 HA ASN 84 -6.019 0.737 -0.147 677 HB2 ASN 84 2HB ASN 84 -8.148 -0.625 1.530 678 HB3 ASN 84 3HB ASN 84 -7.401 0.919 1.931 679 HD21 ASN 84 1HD2 ASN 84 -9.599 -0.727 -0.187 680 HD22 ASN 84 2HD2 ASN 84 -10.280 0.684 -0.909 681 H GLY 85 H GLY 85 -4.348 1.015 1.276 682 HA2 GLY 85 2HA GLY 85 -3.685 -1.078 3.199 683 HA3 GLY 85 3HA GLY 85 -2.540 -0.872 1.883 684 H VAL 86 H VAL 86 -1.368 -0.563 4.161 685 HA VAL 86 HA VAL 86 -1.266 2.352 4.705 686 HB VAL 86 HB VAL 86 -0.239 0.320 6.673 687 HG11 VAL 86 1HG1 VAL 86 -0.718 2.099 8.296 688 HG12 VAL 86 2HG1 VAL 86 -1.306 3.125 6.989 689 HG13 VAL 86 3HG1 VAL 86 0.386 2.632 7.029 690 HG21 VAL 86 3HG2 VAL 86 -2.400 0.339 7.839 691 HG22 VAL 86 1HG2 VAL 86 -2.522 -0.384 6.236 692 HG23 VAL 86 2HG2 VAL 86 -3.108 1.258 6.510 693 H LEU 87 H LEU 87 0.728 3.368 4.694 694 HA LEU 87 HA LEU 87 2.906 2.021 3.370 695 HB2 LEU 87 2HB LEU 87 2.336 4.398 2.963 696 HB3 LEU 87 3HB LEU 87 2.793 4.778 4.610 697 HG LEU 87 HG LEU 87 5.124 4.114 4.116 698 HD11 LEU 87 1HD1 LEU 87 4.707 2.471 2.378 699 HD12 LEU 87 2HD1 LEU 87 5.805 3.719 1.794 700 HD13 LEU 87 3HD1 LEU 87 4.112 3.732 1.298 701 HD21 LEU 87 3HD2 LEU 87 4.439 6.453 3.870 702 HD22 LEU 87 1HD2 LEU 87 4.005 6.153 2.184 703 HD23 LEU 87 2HD2 LEU 87 5.688 6.021 2.701 704 H ILE 88 H ILE 88 4.560 0.975 4.313 705 HA ILE 88 HA ILE 88 5.289 1.538 7.104 706 HB ILE 88 HB ILE 88 5.332 -0.848 7.666 707 HG12 ILE 88 2HG1 ILE 88 4.233 -1.187 4.870 708 HG13 ILE 88 3HG1 ILE 88 5.707 -1.868 5.534 709 HG21 ILE 88 1HG2 ILE 88 2.627 0.049 6.661 710 HG22 ILE 88 2HG2 ILE 88 3.335 0.424 8.232 711 HG23 ILE 88 3HG2 ILE 88 2.916 -1.238 7.832 712 HD11 ILE 88 3HD1 ILE 88 4.005 -3.565 5.320 713 HD12 ILE 88 1HD1 ILE 88 2.904 -2.617 6.321 714 HD13 ILE 88 2HD1 ILE 88 4.378 -3.282 7.022 715 H ARG 89 H ARG 89 7.198 -0.219 7.615 716 HA ARG 89 HA ARG 89 9.114 -0.096 5.367 717 HB2 ARG 89 2HB ARG 89 9.482 0.632 8.258 718 HB3 ARG 89 3HB ARG 89 10.849 -0.022 7.370 719 HG2 ARG 89 2HG ARG 89 10.971 2.376 7.363 720 HG3 ARG 89 3HG ARG 89 10.632 1.810 5.730 721 HD2 ARG 89 2HD ARG 89 9.320 3.798 6.309 722 HD3 ARG 89 3HD ARG 89 8.294 2.406 5.976 723 HE ARG 89 HE ARG 89 8.074 2.181 8.442 724 HH11 ARG 89 1HH1 ARG 89 9.093 5.211 7.166 725 HH12 ARG 89 2HH1 ARG 89 8.317 6.124 8.411 726 HH21 ARG 89 1HH2 ARG 89 7.086 3.361 10.043 727 HH22 ARG 89 2HH2 ARG 89 7.160 5.090 10.008 728 H GLU 90 H GLU 90 9.080 -2.210 4.678 729 HA GLU 90 HA GLU 90 9.450 -4.324 6.713 730 HB2 GLU 90 2HB GLU 90 8.271 -4.513 3.933 731 HB3 GLU 90 3HB GLU 90 8.508 -5.878 5.019 732 HG2 GLU 90 2HG GLU 90 6.737 -3.499 5.559 733 HG3 GLU 90 3HG GLU 90 6.192 -5.074 4.990 734 H LEU 91 H LEU 91 10.310 -3.635 3.310 735 HA LEU 91 HA LEU 91 12.497 -5.523 3.392 736 HB2 LEU 91 2HB LEU 91 11.659 -3.566 1.244 737 HB3 LEU 91 3HB LEU 91 12.873 -4.818 1.051 738 HG LEU 91 HG LEU 91 9.919 -5.264 1.539 739 HD11 LEU 91 1HD1 LEU 91 9.923 -6.196 -0.723 740 HD12 LEU 91 2HD1 LEU 91 11.624 -5.774 -0.901 741 HD13 LEU 91 3HD1 LEU 91 10.415 -4.504 -0.724 742 HD21 LEU 91 3HD2 LEU 91 12.158 -7.259 1.171 743 HD22 LEU 91 1HD2 LEU 91 10.436 -7.649 1.206 744 HD23 LEU 91 2HD2 LEU 91 11.220 -6.992 2.640 745 H GLU 92 H GLU 92 14.709 -4.997 2.976 746 HA GLU 92 HA GLU 92 15.585 -2.427 4.059 747 HB2 GLU 92 2HB GLU 92 16.573 -4.736 4.664 748 HB3 GLU 92 3HB GLU 92 17.343 -4.693 3.088 749 HG2 GLU 92 2HG GLU 92 17.759 -2.689 5.305 750 HG3 GLU 92 3HG GLU 92 18.851 -4.006 4.895 751 H HIS 93 H HIS 93 16.609 -0.838 2.821 752 HA HIS 93 HA HIS 93 17.230 -1.375 0.032 753 HB2 HIS 93 2HB HIS 93 14.798 -0.893 0.034 754 HB3 HIS 93 3HB HIS 93 15.122 0.672 0.767 755 HD1 HIS 93 HD1 HIS 93 15.231 2.531 -0.842 756 HD2 HIS 93 HD2 HIS 93 16.185 -1.094 -2.634 757 HE1 HIS 93 HE1 HIS 93 15.559 3.050 -3.273 758 HE2 HIS 93 HE2 HIS 93 15.916 0.814 -4.365 759 H HIS 94 H HIS 94 19.363 -0.834 0.909 760 HA HIS 94 HA HIS 94 19.775 2.096 0.932 761 HB2 HIS 94 2HB HIS 94 21.899 1.764 2.009 762 HB3 HIS 94 3HB HIS 94 20.699 0.848 2.906 763 HD1 HIS 94 HD1 HIS 94 23.534 0.334 0.447 764 HD2 HIS 94 HD2 HIS 94 21.275 -1.826 3.187 765 HE1 HIS 94 HE1 HIS 94 24.630 -1.915 0.601 766 HE2 HIS 94 HE2 HIS 94 23.372 -3.118 2.411 767 H HIS 95 H HIS 95 21.998 2.708 -0.112 768 HA HIS 95 HA HIS 95 21.725 1.939 -2.879 769 HB2 HIS 95 2HB HIS 95 23.722 3.802 -1.566 770 HB3 HIS 95 3HB HIS 95 23.442 3.652 -3.300 771 HD1 HIS 95 HD1 HIS 95 21.427 4.852 -4.273 772 HD2 HIS 95 HD2 HIS 95 21.618 5.089 -0.133 773 HE1 HIS 95 HE1 HIS 95 19.673 6.518 -3.618 774 HE2 HIS 95 HE2 HIS 95 19.647 6.450 -1.102 775 H HIS 96 H HIS 96 23.292 1.005 -4.230 776 HA HIS 96 HA HIS 96 25.345 -0.597 -2.829 777 HB2 HIS 96 2HB HIS 96 23.601 -2.046 -3.661 778 HB3 HIS 96 3HB HIS 96 23.669 -1.296 -5.251 779 HD1 HIS 96 HD1 HIS 96 25.161 -2.366 -6.916 780 HD2 HIS 96 HD2 HIS 96 26.028 -3.580 -3.040 781 HE1 HIS 96 HE1 HIS 96 26.876 -4.181 -7.150 782 HE2 HIS 96 HE2 HIS 96 27.216 -5.040 -4.815 783 H HIS 97 H HIS 97 27.347 0.079 -3.262 784 HA HIS 97 HA HIS 97 28.108 1.689 -5.452 785 HB2 HIS 97 2HB HIS 97 29.416 1.600 -3.380 786 HB3 HIS 97 3HB HIS 97 29.812 -0.088 -3.679 787 HD1 HIS 97 HD1 HIS 97 31.522 -0.574 -5.618 788 HD2 HIS 97 HD2 HIS 97 30.989 3.451 -4.726 789 HE1 HIS 97 HE1 HIS 97 33.434 0.621 -6.719 790 HE2 HIS 97 HE2 HIS 97 33.037 3.062 -6.255 791 H HIS 98 H HIS 98 27.366 0.738 -7.366 792 HA HIS 98 HA HIS 98 27.862 -1.884 -8.213 793 HB2 HIS 98 2HB HIS 98 27.461 -1.006 -10.536 794 HB3 HIS 98 3HB HIS 98 26.208 -0.603 -9.371 795 HD1 HIS 98 HD1 HIS 98 28.861 0.937 -11.508 796 HD2 HIS 98 HD2 HIS 98 25.964 2.137 -8.781 797 HE1 HIS 98 HE1 HIS 98 28.701 3.426 -11.750 798 HE2 HIS 98 HE2 HIS 98 26.814 4.098 -10.234 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -5.660 43.131 -12.072 2 H2 GLY 1 2H GLY 1 -5.107 41.619 -12.583 3 H3 GLY 1 3H GLY 1 -4.012 42.771 -12.011 4 HA2 GLY 1 2HA GLY 1 -4.422 41.055 -10.350 5 HA3 GLY 1 3HA GLY 1 -4.916 42.650 -9.804 6 H ASP 2 H ASP 2 -7.165 43.170 -9.771 7 HA ASP 2 HA ASP 2 -9.274 42.717 -9.054 8 HB2 ASP 2 2HB ASP 2 -9.119 41.044 -11.566 9 HB3 ASP 2 3HB ASP 2 -10.624 41.386 -10.716 10 H ARG 3 H ARG 3 -8.369 41.614 -7.131 11 HA ARG 3 HA ARG 3 -8.476 38.727 -7.036 12 HB2 ARG 3 2HB ARG 3 -8.205 40.742 -4.789 13 HB3 ARG 3 3HB ARG 3 -7.931 39.009 -4.656 14 HG2 ARG 3 2HG ARG 3 -6.339 40.906 -6.381 15 HG3 ARG 3 3HG ARG 3 -5.832 40.267 -4.814 16 HD2 ARG 3 2HD ARG 3 -6.479 38.541 -7.211 17 HD3 ARG 3 3HD ARG 3 -4.854 39.095 -6.811 18 HE ARG 3 HE ARG 3 -5.162 37.864 -4.661 19 HH11 ARG 3 1HH1 ARG 3 -6.988 36.935 -7.435 20 HH12 ARG 3 2HH1 ARG 3 -7.105 35.286 -6.932 21 HH21 ARG 3 1HH2 ARG 3 -5.318 35.756 -4.040 22 HH22 ARG 3 2HH2 ARG 3 -6.185 34.629 -5.030 23 H ARG 4 H ARG 4 -10.813 40.991 -7.157 24 HA ARG 4 HA ARG 4 -12.703 40.150 -5.218 25 HB2 ARG 4 2HB ARG 4 -14.344 41.338 -6.716 26 HB3 ARG 4 3HB ARG 4 -12.961 42.310 -6.233 27 HG2 ARG 4 2HG ARG 4 -11.910 41.923 -8.400 28 HG3 ARG 4 3HG ARG 4 -13.261 40.903 -8.888 29 HD2 ARG 4 2HD ARG 4 -14.774 42.776 -8.816 30 HD3 ARG 4 3HD ARG 4 -13.521 43.817 -8.137 31 HE ARG 4 HE ARG 4 -12.323 43.320 -10.344 32 HH11 ARG 4 1HH1 ARG 4 -15.755 43.481 -10.061 33 HH12 ARG 4 2HH1 ARG 4 -15.966 44.056 -11.677 34 HH21 ARG 4 1HH2 ARG 4 -12.598 44.034 -12.400 35 HH22 ARG 4 2HH2 ARG 4 -14.194 44.366 -12.992 36 H VAL 5 H VAL 5 -14.404 38.715 -5.344 37 HA VAL 5 HA VAL 5 -15.694 36.966 -5.983 38 HB VAL 5 HB VAL 5 -14.876 37.692 -8.807 39 HG11 VAL 5 1HG1 VAL 5 -16.921 36.506 -9.474 40 HG12 VAL 5 2HG1 VAL 5 -17.191 36.035 -7.798 41 HG13 VAL 5 3HG1 VAL 5 -15.779 35.433 -8.666 42 HG21 VAL 5 3HG2 VAL 5 -16.980 38.940 -8.905 43 HG22 VAL 5 1HG2 VAL 5 -15.938 39.569 -7.628 44 HG23 VAL 5 2HG2 VAL 5 -17.309 38.539 -7.219 45 H ARG 6 H ARG 6 -15.294 34.854 -5.741 46 HA ARG 6 HA ARG 6 -12.709 33.803 -6.673 47 HB2 ARG 6 2HB ARG 6 -12.991 32.028 -5.030 48 HB3 ARG 6 3HB ARG 6 -13.171 33.601 -4.268 49 HG2 ARG 6 2HG ARG 6 -15.665 33.286 -4.439 50 HG3 ARG 6 3HG ARG 6 -15.342 31.627 -4.949 51 HD2 ARG 6 2HD ARG 6 -15.763 31.574 -2.602 52 HD3 ARG 6 3HD ARG 6 -14.030 31.328 -2.823 53 HE ARG 6 HE ARG 6 -15.007 34.030 -2.259 54 HH11 ARG 6 1HH1 ARG 6 -13.280 31.235 -1.206 55 HH12 ARG 6 2HH1 ARG 6 -12.597 32.058 0.155 56 HH21 ARG 6 1HH2 ARG 6 -14.146 35.044 -0.502 57 HH22 ARG 6 2HH2 ARG 6 -13.077 34.175 0.545 58 H LEU 7 H LEU 7 -12.656 32.601 -8.442 59 HA LEU 7 HA LEU 7 -15.155 31.403 -9.451 60 HB2 LEU 7 2HB LEU 7 -13.928 33.175 -10.778 61 HB3 LEU 7 3HB LEU 7 -12.632 32.016 -10.995 62 HG LEU 7 HG LEU 7 -14.222 30.504 -12.178 63 HD11 LEU 7 1HD1 LEU 7 -16.135 32.829 -11.936 64 HD12 LEU 7 2HD1 LEU 7 -16.303 31.250 -11.168 65 HD13 LEU 7 3HD1 LEU 7 -16.384 31.387 -12.922 66 HD21 LEU 7 3HD2 LEU 7 -13.987 33.286 -13.333 67 HD22 LEU 7 1HD2 LEU 7 -14.340 31.816 -14.244 68 HD23 LEU 7 2HD2 LEU 7 -12.780 32.004 -13.443 69 H ILE 8 H ILE 8 -12.603 30.402 -7.727 70 HA ILE 8 HA ILE 8 -11.474 28.231 -9.080 71 HB ILE 8 HB ILE 8 -10.544 29.147 -7.001 72 HG12 ILE 8 2HG1 ILE 8 -9.960 26.994 -5.905 73 HG13 ILE 8 3HG1 ILE 8 -11.241 26.198 -6.812 74 HG21 ILE 8 1HG2 ILE 8 -12.613 29.557 -5.784 75 HG22 ILE 8 2HG2 ILE 8 -11.513 28.574 -4.820 76 HG23 ILE 8 3HG2 ILE 8 -12.887 27.822 -5.630 77 HD11 ILE 8 3HD1 ILE 8 -9.049 25.803 -7.795 78 HD12 ILE 8 1HD1 ILE 8 -8.823 27.539 -8.002 79 HD13 ILE 8 2HD1 ILE 8 -10.091 26.704 -8.894 80 H ARG 9 H ARG 9 -12.055 26.135 -9.412 81 HA ARG 9 HA ARG 9 -14.720 25.288 -8.456 82 HB2 ARG 9 2HB ARG 9 -13.178 24.250 -10.848 83 HB3 ARG 9 3HB ARG 9 -14.826 23.828 -10.401 84 HG2 ARG 9 2HG ARG 9 -13.862 26.540 -11.306 85 HG3 ARG 9 3HG ARG 9 -14.823 25.395 -12.245 86 HD2 ARG 9 2HD ARG 9 -16.635 25.584 -10.577 87 HD3 ARG 9 3HD ARG 9 -15.679 26.781 -9.700 88 HE ARG 9 HE ARG 9 -16.116 27.461 -12.456 89 HH11 ARG 9 1HH1 ARG 9 -17.421 27.651 -9.275 90 HH12 ARG 9 2HH1 ARG 9 -18.434 28.998 -9.648 91 HH21 ARG 9 1HH2 ARG 9 -17.417 29.176 -12.931 92 HH22 ARG 9 2HH2 ARG 9 -18.426 29.859 -11.702 93 H THR 10 H THR 10 -14.889 22.774 -8.413 94 HA THR 10 HA THR 10 -12.437 21.469 -7.476 95 HB THR 10 HB THR 10 -13.376 22.223 -5.396 96 HG1 THR 10 HG1 THR 10 -13.101 20.322 -4.502 97 HG21 THR 10 3HG2 THR 10 -15.962 20.934 -6.277 98 HG22 THR 10 1HG2 THR 10 -15.667 22.664 -6.109 99 HG23 THR 10 2HG2 THR 10 -15.659 21.625 -4.683 100 H ARG 11 H ARG 11 -12.868 19.050 -7.084 101 HA ARG 11 HA ARG 11 -14.332 18.108 -9.461 102 HB2 ARG 11 2HB ARG 11 -12.888 16.166 -9.411 103 HB3 ARG 11 3HB ARG 11 -11.905 17.621 -9.309 104 HG2 ARG 11 2HG ARG 11 -11.633 17.300 -6.912 105 HG3 ARG 11 3HG ARG 11 -12.684 15.884 -6.965 106 HD2 ARG 11 2HD ARG 11 -10.421 15.116 -6.916 107 HD3 ARG 11 3HD ARG 11 -11.055 14.822 -8.534 108 HE ARG 11 HE ARG 11 -9.734 17.310 -8.472 109 HH11 ARG 11 1HH1 ARG 11 -9.096 13.927 -8.427 110 HH12 ARG 11 2HH1 ARG 11 -7.487 14.111 -9.030 111 HH21 ARG 11 1HH2 ARG 11 -7.671 17.536 -9.253 112 HH22 ARG 11 2HH2 ARG 11 -6.689 16.133 -9.495 113 H GLY 12 H GLY 12 -15.645 16.216 -9.400 114 HA2 GLY 12 2HA GLY 12 -16.725 15.525 -6.742 115 HA3 GLY 12 3HA GLY 12 -17.509 15.212 -8.282 116 H GLY 13 H GLY 13 -16.716 13.436 -5.935 117 HA2 GLY 13 2HA GLY 13 -14.805 11.614 -7.245 118 HA3 GLY 13 3HA GLY 13 -15.260 11.582 -5.553 119 H ASN 14 H ASN 14 -15.481 9.866 -8.311 120 HA ASN 14 HA ASN 14 -18.060 8.622 -7.548 121 HB2 ASN 14 2HB ASN 14 -16.722 8.640 -10.270 122 HB3 ASN 14 3HB ASN 14 -18.223 7.810 -9.876 123 HD21 ASN 14 1HD2 ASN 14 -19.255 9.941 -8.204 124 HD22 ASN 14 2HD2 ASN 14 -19.700 11.221 -9.276 125 H THR 15 H THR 15 -18.203 6.291 -7.785 126 HA THR 15 HA THR 15 -15.772 4.869 -7.107 127 HB THR 15 HB THR 15 -18.540 3.747 -7.649 128 HG1 THR 15 HG1 THR 15 -19.009 4.180 -5.608 129 HG21 THR 15 3HG2 THR 15 -16.776 2.050 -7.798 130 HG22 THR 15 1HG2 THR 15 -17.763 1.808 -6.356 131 HG23 THR 15 2HG2 THR 15 -16.165 2.539 -6.216 132 H LYS 16 H LYS 16 -14.555 3.578 -8.453 133 HA LYS 16 HA LYS 16 -15.137 3.845 -11.318 134 HB2 LYS 16 2HB LYS 16 -12.591 2.785 -10.086 135 HB3 LYS 16 3HB LYS 16 -12.831 3.388 -11.719 136 HG2 LYS 16 2HG LYS 16 -13.264 5.646 -10.736 137 HG3 LYS 16 3HG LYS 16 -12.803 4.986 -9.168 138 HD2 LYS 16 2HD LYS 16 -11.077 5.241 -11.637 139 HD3 LYS 16 3HD LYS 16 -10.896 6.106 -10.114 140 HE2 LYS 16 2HE LYS 16 -9.239 4.463 -10.013 141 HE3 LYS 16 3HE LYS 16 -10.553 3.776 -9.061 142 HZ1 LYS 16 3HZ LYS 16 -10.137 3.138 -11.931 143 HZ2 LYS 16 1HZ LYS 16 -11.128 2.328 -10.830 144 HZ3 LYS 16 2HZ LYS 16 -9.447 2.230 -10.687 145 H VAL 17 H VAL 17 -14.206 1.960 -12.677 146 HA VAL 17 HA VAL 17 -15.344 -0.569 -11.888 147 HB VAL 17 HB VAL 17 -15.337 0.225 -14.252 148 HG11 VAL 17 1HG1 VAL 17 -12.355 -0.265 -14.122 149 HG12 VAL 17 2HG1 VAL 17 -13.152 1.302 -14.292 150 HG13 VAL 17 3HG1 VAL 17 -13.280 0.104 -15.582 151 HG21 VAL 17 3HG2 VAL 17 -13.847 -2.372 -13.825 152 HG22 VAL 17 1HG2 VAL 17 -14.715 -1.906 -15.290 153 HG23 VAL 17 2HG2 VAL 17 -15.597 -2.159 -13.786 154 H ARG 18 H ARG 18 -13.996 -2.598 -11.865 155 HA ARG 18 HA ARG 18 -11.955 -2.499 -10.007 156 HB2 ARG 18 2HB ARG 18 -11.355 -4.845 -10.904 157 HB3 ARG 18 3HB ARG 18 -12.945 -4.579 -10.214 158 HG2 ARG 18 2HG ARG 18 -13.367 -5.867 -12.096 159 HG3 ARG 18 3HG ARG 18 -13.738 -4.231 -12.629 160 HD2 ARG 18 2HD ARG 18 -11.621 -4.085 -13.789 161 HD3 ARG 18 3HD ARG 18 -11.122 -5.654 -13.151 162 HE ARG 18 HE ARG 18 -13.574 -5.680 -14.682 163 HH11 ARG 18 1HH1 ARG 18 -10.141 -6.016 -14.820 164 HH12 ARG 18 2HH1 ARG 18 -10.196 -6.957 -16.265 165 HH21 ARG 18 1HH2 ARG 18 -13.611 -6.888 -16.533 166 HH22 ARG 18 2HH2 ARG 18 -12.126 -7.460 -17.212 167 H LEU 19 H LEU 19 -9.746 -2.651 -10.020 168 HA LEU 19 HA LEU 19 -8.298 -0.886 -11.382 169 HB2 LEU 19 2HB LEU 19 -7.515 -2.202 -9.460 170 HB3 LEU 19 3HB LEU 19 -7.260 -3.584 -10.505 171 HG LEU 19 HG LEU 19 -5.806 -1.044 -11.149 172 HD11 LEU 19 1HD1 LEU 19 -4.990 -2.944 -8.945 173 HD12 LEU 19 2HD1 LEU 19 -5.484 -1.262 -8.741 174 HD13 LEU 19 3HD1 LEU 19 -3.995 -1.645 -9.604 175 HD21 LEU 19 3HD2 LEU 19 -4.063 -2.603 -11.868 176 HD22 LEU 19 1HD2 LEU 19 -5.602 -2.970 -12.648 177 HD23 LEU 19 2HD2 LEU 19 -5.035 -3.964 -11.303 178 H ALA 20 H ALA 20 -8.235 -0.504 -13.498 179 HA ALA 20 HA ALA 20 -8.230 -2.692 -15.405 180 HB1 ALA 20 3HB ALA 20 -8.574 -0.972 -17.102 181 HB2 ALA 20 1HB ALA 20 -8.303 0.289 -15.897 182 HB3 ALA 20 2HB ALA 20 -9.709 -0.768 -15.768 183 H SER 21 H SER 21 -6.041 -3.384 -14.664 184 HA SER 21 HA SER 21 -3.943 -3.896 -15.361 185 HB2 SER 21 2HB SER 21 -4.354 -1.730 -17.434 186 HB3 SER 21 3HB SER 21 -2.973 -2.827 -17.385 187 HG SER 21 HG SER 21 -4.750 -3.466 -18.800 188 H ASP 22 H ASP 22 -4.465 -0.376 -15.047 189 HA ASP 22 HA ASP 22 -1.793 0.255 -14.352 190 HB2 ASP 22 2HB ASP 22 -4.307 1.725 -13.513 191 HB3 ASP 22 3HB ASP 22 -2.673 2.378 -13.553 192 H THR 23 H THR 23 -0.901 -0.991 -12.725 193 HA THR 23 HA THR 23 -2.370 -1.775 -10.400 194 HB THR 23 HB THR 23 -0.153 -2.529 -9.508 195 HG1 THR 23 HG1 THR 23 1.668 -2.282 -10.776 196 HG21 THR 23 3HG2 THR 23 0.202 -4.298 -11.162 197 HG22 THR 23 1HG2 THR 23 -0.755 -3.400 -12.341 198 HG23 THR 23 2HG2 THR 23 -1.520 -4.032 -10.883 199 H ARG 24 H ARG 24 -2.983 -0.393 -8.899 200 HA ARG 24 HA ARG 24 -1.081 1.369 -7.598 201 HB2 ARG 24 2HB ARG 24 -3.515 2.423 -9.061 202 HB3 ARG 24 3HB ARG 24 -2.679 3.341 -7.812 203 HG2 ARG 24 2HG ARG 24 -0.653 3.374 -9.124 204 HG3 ARG 24 3HG ARG 24 -1.376 2.317 -10.334 205 HD2 ARG 24 2HD ARG 24 -2.997 4.063 -10.897 206 HD3 ARG 24 3HD ARG 24 -2.290 5.119 -9.669 207 HE ARG 24 HE ARG 24 -0.168 4.863 -11.052 208 HH11 ARG 24 1HH1 ARG 24 -3.316 4.773 -12.464 209 HH12 ARG 24 2HH1 ARG 24 -2.745 5.320 -14.001 210 HH21 ARG 24 1HH2 ARG 24 0.528 5.564 -13.002 211 HH22 ARG 24 2HH2 ARG 24 -0.600 5.776 -14.298 212 H ILE 25 H ILE 25 -1.848 2.164 -5.548 213 HA ILE 25 HA ILE 25 -4.217 0.778 -4.490 214 HB ILE 25 HB ILE 25 -2.426 -0.749 -4.029 215 HG12 ILE 25 2HG1 ILE 25 -2.997 0.808 -1.488 216 HG13 ILE 25 3HG1 ILE 25 -4.078 -0.382 -2.204 217 HG21 ILE 25 1HG2 ILE 25 -0.405 -0.117 -2.785 218 HG22 ILE 25 2HG2 ILE 25 -0.930 1.566 -2.799 219 HG23 ILE 25 3HG2 ILE 25 -0.538 0.754 -4.313 220 HD11 ILE 25 3HD1 ILE 25 -2.419 -2.121 -1.843 221 HD12 ILE 25 1HD1 ILE 25 -2.824 -1.303 -0.336 222 HD13 ILE 25 2HD1 ILE 25 -1.312 -0.932 -1.160 223 H ASN 26 H ASN 26 -5.303 1.831 -2.897 224 HA ASN 26 HA ASN 26 -4.665 4.553 -2.252 225 HB2 ASN 26 2HB ASN 26 -6.719 2.693 -1.010 226 HB3 ASN 26 3HB ASN 26 -6.666 4.445 -0.822 227 HD21 ASN 26 1HD2 ASN 26 -8.667 2.556 -1.995 228 HD22 ASN 26 2HD2 ASN 26 -9.003 3.214 -3.555 229 H VAL 27 H VAL 27 -2.916 4.910 -0.966 230 HA VAL 27 HA VAL 27 -2.346 3.017 1.212 231 HB VAL 27 HB VAL 27 -0.517 5.131 0.065 232 HG11 VAL 27 1HG1 VAL 27 0.102 4.409 2.304 233 HG12 VAL 27 2HG1 VAL 27 1.260 3.809 1.119 234 HG13 VAL 27 3HG1 VAL 27 0.048 2.722 1.793 235 HG21 VAL 27 3HG2 VAL 27 -1.092 3.579 -1.697 236 HG22 VAL 27 1HG2 VAL 27 -0.736 2.206 -0.649 237 HG23 VAL 27 2HG2 VAL 27 0.563 3.283 -1.166 238 H VAL 28 H VAL 28 -2.352 3.611 3.313 239 HA VAL 28 HA VAL 28 -2.938 6.393 4.010 240 HB VAL 28 HB VAL 28 -2.855 3.935 5.786 241 HG11 VAL 28 1HG1 VAL 28 -2.403 6.008 7.016 242 HG12 VAL 28 2HG1 VAL 28 -3.974 5.332 7.453 243 HG13 VAL 28 3HG1 VAL 28 -3.883 6.718 6.367 244 HG21 VAL 28 3HG2 VAL 28 -4.660 3.795 4.147 245 HG22 VAL 28 1HG2 VAL 28 -5.218 5.407 4.601 246 HG23 VAL 28 2HG2 VAL 28 -5.314 4.080 5.761 247 H ASP 29 H ASP 29 -1.251 7.682 4.312 248 HA ASP 29 HA ASP 29 1.383 6.714 4.919 249 HB2 ASP 29 2HB ASP 29 0.905 8.670 3.433 250 HB3 ASP 29 3HB ASP 29 0.356 9.568 4.843 251 HA PRO 30 HA PRO 30 0.462 6.886 9.339 252 HB2 PRO 30 2HB PRO 30 2.582 5.508 10.216 253 HB3 PRO 30 3HB PRO 30 1.280 4.716 9.317 254 HG2 PRO 30 2HG PRO 30 3.950 5.671 8.325 255 HG3 PRO 30 3HG PRO 30 3.134 4.123 8.022 256 HD2 PRO 30 2HD PRO 30 3.083 6.213 6.260 257 HD3 PRO 30 3HD PRO 30 1.785 5.012 6.386 258 H GLU 31 H GLU 31 3.019 8.420 7.697 259 HA GLU 31 HA GLU 31 4.244 9.567 10.084 260 HB2 GLU 31 2HB GLU 31 4.832 10.187 7.185 261 HB3 GLU 31 3HB GLU 31 5.833 10.581 8.575 262 HG2 GLU 31 2HG GLU 31 5.225 7.804 7.568 263 HG3 GLU 31 3HG GLU 31 6.725 8.691 7.313 264 H THR 32 H THR 32 2.057 10.504 7.507 265 HA THR 32 HA THR 32 1.864 13.239 8.632 266 HB THR 32 HB THR 32 1.086 13.969 6.401 267 HG1 THR 32 HG1 THR 32 1.939 11.522 5.299 268 HG21 THR 32 3HG2 THR 32 3.479 14.125 6.947 269 HG22 THR 32 1HG2 THR 32 3.235 13.794 5.233 270 HG23 THR 32 2HG2 THR 32 3.730 12.496 6.318 271 H GLY 33 H GLY 33 0.037 10.440 7.518 272 HA2 GLY 33 2HA GLY 33 -2.066 9.839 8.433 273 HA3 GLY 33 3HA GLY 33 -2.338 11.515 8.872 274 H LYS 34 H LYS 34 -1.210 11.150 5.675 275 HA LYS 34 HA LYS 34 -3.842 11.847 4.618 276 HB2 LYS 34 2HB LYS 34 -2.658 12.309 2.513 277 HB3 LYS 34 3HB LYS 34 -1.924 13.163 3.863 278 HG2 LYS 34 2HG LYS 34 -0.015 11.858 3.836 279 HG3 LYS 34 3HG LYS 34 -0.823 10.504 3.047 280 HD2 LYS 34 2HD LYS 34 0.771 11.632 1.551 281 HD3 LYS 34 3HD LYS 34 -0.884 11.718 0.949 282 HE2 LYS 34 2HE LYS 34 -1.069 14.013 1.777 283 HE3 LYS 34 3HE LYS 34 0.574 13.923 2.417 284 HZ1 LYS 34 3HZ LYS 34 1.438 13.708 0.222 285 HZ2 LYS 34 1HZ LYS 34 0.402 15.043 0.230 286 HZ3 LYS 34 2HZ LYS 34 -0.106 13.580 -0.455 287 H VAL 35 H VAL 35 -4.700 10.824 2.665 288 HA VAL 35 HA VAL 35 -3.974 7.977 2.393 289 HB VAL 35 HB VAL 35 -6.452 9.382 1.351 290 HG11 VAL 35 1HG1 VAL 35 -5.749 6.442 1.489 291 HG12 VAL 35 2HG1 VAL 35 -5.863 7.424 0.027 292 HG13 VAL 35 3HG1 VAL 35 -7.307 7.098 0.984 293 HG21 VAL 35 3HG2 VAL 35 -7.654 8.215 3.165 294 HG22 VAL 35 1HG2 VAL 35 -6.461 9.356 3.786 295 HG23 VAL 35 2HG2 VAL 35 -6.115 7.628 3.793 296 H GLU 36 H GLU 36 -2.262 7.988 0.990 297 HA GLU 36 HA GLU 36 -2.457 9.608 -1.468 298 HB2 GLU 36 2HB GLU 36 -0.512 9.920 0.147 299 HB3 GLU 36 3HB GLU 36 0.024 8.312 -0.316 300 HG2 GLU 36 2HG GLU 36 1.263 9.948 -1.550 301 HG3 GLU 36 3HG GLU 36 0.201 9.077 -2.655 302 H ILE 37 H ILE 37 -2.334 8.661 -3.483 303 HA ILE 37 HA ILE 37 -2.668 5.777 -3.605 304 HB ILE 37 HB ILE 37 -2.683 7.834 -5.834 305 HG12 ILE 37 2HG1 ILE 37 -4.980 6.446 -4.408 306 HG13 ILE 37 3HG1 ILE 37 -4.518 8.131 -4.189 307 HG21 ILE 37 1HG2 ILE 37 -3.525 4.927 -5.862 308 HG22 ILE 37 2HG2 ILE 37 -2.103 5.601 -6.660 309 HG23 ILE 37 3HG2 ILE 37 -3.717 6.066 -7.196 310 HD11 ILE 37 3HD1 ILE 37 -6.443 7.949 -5.630 311 HD12 ILE 37 1HD1 ILE 37 -5.560 6.884 -6.722 312 HD13 ILE 37 2HD1 ILE 37 -5.065 8.566 -6.539 313 H ALA 38 H ALA 38 -1.020 4.392 -3.892 314 HA ALA 38 HA ALA 38 1.506 5.384 -5.066 315 HB1 ALA 38 3HB ALA 38 1.054 2.974 -3.305 316 HB2 ALA 38 1HB ALA 38 1.685 4.532 -2.774 317 HB3 ALA 38 2HB ALA 38 2.611 3.547 -3.905 318 H GLU 39 H GLU 39 2.612 4.129 -6.630 319 HA GLU 39 HA GLU 39 0.877 2.390 -8.230 320 HB2 GLU 39 2HB GLU 39 3.612 3.523 -8.889 321 HB3 GLU 39 3HB GLU 39 2.548 2.667 -10.002 322 HG2 GLU 39 2HG GLU 39 0.850 4.480 -9.632 323 HG3 GLU 39 3HG GLU 39 2.083 5.366 -8.735 324 H ILE 40 H ILE 40 1.041 0.234 -8.161 325 HA ILE 40 HA ILE 40 2.982 -0.969 -6.378 326 HB ILE 40 HB ILE 40 0.761 -2.275 -7.968 327 HG12 ILE 40 2HG1 ILE 40 0.822 -1.366 -5.075 328 HG13 ILE 40 3HG1 ILE 40 -0.093 -0.608 -6.374 329 HG21 ILE 40 1HG2 ILE 40 2.403 -3.344 -5.666 330 HG22 ILE 40 2HG2 ILE 40 2.461 -3.890 -7.343 331 HG23 ILE 40 3HG2 ILE 40 1.003 -4.147 -6.383 332 HD11 ILE 40 3HD1 ILE 40 -1.538 -1.969 -5.006 333 HD12 ILE 40 1HD1 ILE 40 -0.518 -3.381 -5.277 334 HD13 ILE 40 2HD1 ILE 40 -1.412 -2.668 -6.620 335 H ARG 41 H ARG 41 4.917 -1.695 -7.037 336 HA ARG 41 HA ARG 41 5.437 -2.366 -9.807 337 HB2 ARG 41 2HB ARG 41 7.177 -2.692 -7.344 338 HB3 ARG 41 3HB ARG 41 7.716 -2.900 -9.004 339 HG2 ARG 41 2HG ARG 41 6.686 -0.321 -7.823 340 HG3 ARG 41 3HG ARG 41 8.385 -0.741 -8.041 341 HD2 ARG 41 2HD ARG 41 6.309 -0.329 -10.193 342 HD3 ARG 41 3HD ARG 41 7.714 0.682 -9.855 343 HE ARG 41 HE ARG 41 7.647 -1.646 -11.465 344 HH11 ARG 41 1HH1 ARG 41 9.699 -0.014 -9.207 345 HH12 ARG 41 2HH1 ARG 41 11.138 -0.625 -9.934 346 HH21 ARG 41 1HH2 ARG 41 9.506 -2.409 -12.368 347 HH22 ARG 41 2HH2 ARG 41 11.035 -1.977 -11.683 348 H ASN 42 H ASN 42 5.563 -4.176 -6.725 349 HA ASN 42 HA ASN 42 4.785 -6.645 -8.108 350 HB2 ASN 42 2HB ASN 42 7.298 -6.383 -6.428 351 HB3 ASN 42 3HB ASN 42 6.619 -7.911 -6.973 352 HD21 ASN 42 1HD2 ASN 42 5.891 -6.916 -9.609 353 HD22 ASN 42 2HD2 ASN 42 7.372 -6.748 -10.474 354 H VAL 43 H VAL 43 3.999 -8.301 -6.689 355 HA VAL 43 HA VAL 43 3.042 -7.325 -4.087 356 HB VAL 43 HB VAL 43 1.422 -8.290 -5.721 357 HG11 VAL 43 1HG1 VAL 43 1.342 -10.704 -6.094 358 HG12 VAL 43 2HG1 VAL 43 2.849 -10.901 -5.198 359 HG13 VAL 43 3HG1 VAL 43 2.835 -10.006 -6.719 360 HG21 VAL 43 3HG2 VAL 43 0.835 -8.266 -3.373 361 HG22 VAL 43 1HG2 VAL 43 1.681 -9.792 -3.113 362 HG23 VAL 43 2HG2 VAL 43 0.233 -9.748 -4.118 363 H VAL 44 H VAL 44 5.825 -8.044 -4.397 364 HA VAL 44 HA VAL 44 6.269 -10.690 -3.387 365 HB VAL 44 HB VAL 44 7.900 -9.680 -4.865 366 HG11 VAL 44 1HG1 VAL 44 9.326 -7.810 -4.189 367 HG12 VAL 44 2HG1 VAL 44 8.397 -7.633 -2.701 368 HG13 VAL 44 3HG1 VAL 44 7.629 -7.336 -4.259 369 HG21 VAL 44 3HG2 VAL 44 8.710 -11.348 -3.306 370 HG22 VAL 44 1HG2 VAL 44 9.022 -10.101 -2.098 371 HG23 VAL 44 2HG2 VAL 44 9.952 -10.131 -3.596 372 H GLU 45 H GLU 45 5.009 -10.705 -1.473 373 HA GLU 45 HA GLU 45 5.445 -8.829 0.647 374 HB2 GLU 45 2HB GLU 45 3.929 -10.357 1.952 375 HB3 GLU 45 3HB GLU 45 3.252 -9.732 0.456 376 HG2 GLU 45 2HG GLU 45 3.484 -11.813 -0.642 377 HG3 GLU 45 3HG GLU 45 4.543 -12.445 0.620 378 H ASN 46 H ASN 46 7.715 -9.026 1.069 379 HA ASN 46 HA ASN 46 9.545 -9.739 2.260 380 HB2 ASN 46 2HB ASN 46 7.460 -11.008 4.056 381 HB3 ASN 46 3HB ASN 46 9.079 -10.488 4.515 382 HD21 ASN 46 1HD2 ASN 46 9.478 -8.293 4.815 383 HD22 ASN 46 2HD2 ASN 46 8.195 -7.144 4.958 384 H THR 47 H THR 47 8.980 -11.470 0.118 385 HA THR 47 HA THR 47 8.602 -14.170 1.002 386 HB THR 47 HB THR 47 8.909 -14.833 -1.331 387 HG1 THR 47 HG1 THR 47 10.453 -12.750 -1.526 388 HG21 THR 47 3HG2 THR 47 7.071 -13.545 -2.317 389 HG22 THR 47 1HG2 THR 47 7.245 -12.322 -1.057 390 HG23 THR 47 2HG2 THR 47 6.728 -13.955 -0.637 391 H ALA 48 H ALA 48 10.419 -14.265 2.528 392 HA ALA 48 HA ALA 48 13.023 -14.803 1.315 393 HB1 ALA 48 3HB ALA 48 12.119 -15.025 4.192 394 HB2 ALA 48 1HB ALA 48 12.947 -13.645 3.467 395 HB3 ALA 48 2HB ALA 48 13.779 -15.195 3.615 396 H ASN 49 H ASN 49 10.168 -16.463 1.922 397 HA ASN 49 HA ASN 49 11.088 -19.055 2.574 398 HB2 ASN 49 2HB ASN 49 8.551 -18.186 1.165 399 HB3 ASN 49 3HB ASN 49 8.843 -19.800 1.804 400 HD21 ASN 49 1HD2 ASN 49 7.127 -19.700 3.204 401 HD22 ASN 49 2HD2 ASN 49 7.122 -18.700 4.615 402 HA PRO 50 HA PRO 50 12.812 -20.066 -1.492 403 HB2 PRO 50 2HB PRO 50 13.574 -22.608 -0.855 404 HB3 PRO 50 3HB PRO 50 14.501 -21.176 -0.392 405 HG2 PRO 50 2HG PRO 50 12.549 -22.773 1.234 406 HG3 PRO 50 3HG PRO 50 14.140 -22.142 1.703 407 HD2 PRO 50 2HD PRO 50 11.847 -20.908 2.411 408 HD3 PRO 50 3HD PRO 50 13.326 -19.995 2.043 409 H HIS 51 H HIS 51 10.304 -21.805 0.244 410 HA HIS 51 HA HIS 51 9.579 -23.363 -2.129 411 HB2 HIS 51 2HB HIS 51 9.612 -24.428 0.128 412 HB3 HIS 51 3HB HIS 51 8.306 -23.360 0.625 413 HD1 HIS 51 HD1 HIS 51 6.056 -24.354 0.410 414 HD2 HIS 51 HD2 HIS 51 8.745 -26.082 -2.239 415 HE1 HIS 51 HE1 HIS 51 4.778 -26.172 -0.751 416 HE2 HIS 51 HE2 HIS 51 6.467 -27.298 -2.232 417 H PHE 52 H PHE 52 9.132 -20.292 -1.514 418 HA PHE 52 HA PHE 52 6.312 -19.929 -1.600 419 HB2 PHE 52 2HB PHE 52 7.798 -18.160 -0.788 420 HB3 PHE 52 3HB PHE 52 8.534 -18.021 -2.380 421 HD1 PHE 52 HD2 PHE 52 5.406 -17.486 -0.475 422 HD2 PHE 52 HD1 PHE 52 7.531 -16.708 -4.088 423 HE1 PHE 52 HE2 PHE 52 3.713 -15.821 -1.112 424 HE2 PHE 52 HE1 PHE 52 5.840 -15.038 -4.724 425 HZ PHE 52 HZ PHE 52 3.925 -14.595 -3.238 426 H VAL 53 H VAL 53 5.215 -20.845 -3.239 427 HA VAL 53 HA VAL 53 5.739 -19.803 -5.936 428 HB VAL 53 HB VAL 53 6.602 -22.043 -6.045 429 HG11 VAL 53 1HG1 VAL 53 3.968 -22.997 -4.908 430 HG12 VAL 53 2HG1 VAL 53 5.518 -22.990 -4.069 431 HG13 VAL 53 3HG1 VAL 53 5.283 -24.026 -5.476 432 HG21 VAL 53 3HG2 VAL 53 5.173 -23.037 -7.759 433 HG22 VAL 53 1HG2 VAL 53 5.292 -21.290 -7.975 434 HG23 VAL 53 2HG2 VAL 53 3.837 -21.996 -7.268 435 H ARG 54 H ARG 54 4.005 -18.670 -6.574 436 HA ARG 54 HA ARG 54 1.309 -19.596 -6.215 437 HB2 ARG 54 2HB ARG 54 1.968 -18.727 -3.925 438 HB3 ARG 54 3HB ARG 54 2.114 -17.132 -4.651 439 HG2 ARG 54 2HG ARG 54 -0.259 -17.184 -5.255 440 HG3 ARG 54 3HG ARG 54 -0.405 -18.789 -4.536 441 HD2 ARG 54 2HD ARG 54 0.393 -17.766 -2.368 442 HD3 ARG 54 3HD ARG 54 0.216 -16.188 -3.139 443 HE ARG 54 HE ARG 54 -2.195 -17.478 -3.483 444 HH11 ARG 54 1HH1 ARG 54 -0.276 -16.412 -0.829 445 HH12 ARG 54 2HH1 ARG 54 -1.632 -16.246 0.226 446 HH21 ARG 54 1HH2 ARG 54 -3.922 -17.256 -2.132 447 HH22 ARG 54 2HH2 ARG 54 -3.688 -16.706 -0.509 448 H ARG 55 H ARG 55 -0.179 -18.426 -7.467 449 HA ARG 55 HA ARG 55 0.921 -16.713 -9.501 450 HB2 ARG 55 2HB ARG 55 -1.988 -17.304 -8.909 451 HB3 ARG 55 3HB ARG 55 -1.348 -16.602 -10.388 452 HG2 ARG 55 2HG ARG 55 -0.051 -18.747 -10.702 453 HG3 ARG 55 3HG ARG 55 -0.996 -19.414 -9.371 454 HD2 ARG 55 2HD ARG 55 -2.011 -18.402 -12.028 455 HD3 ARG 55 3HD ARG 55 -2.038 -20.061 -11.430 456 HE ARG 55 HE ARG 55 -3.540 -18.876 -9.599 457 HH11 ARG 55 1HH1 ARG 55 -3.562 -18.508 -13.021 458 HH12 ARG 55 2HH1 ARG 55 -5.239 -18.109 -13.080 459 HH21 ARG 55 1HH2 ARG 55 -5.704 -18.370 -9.681 460 HH22 ARG 55 2HH2 ARG 55 -6.444 -18.037 -11.209 461 H ASN 56 H ASN 56 -0.903 -14.756 -9.982 462 HA ASN 56 HA ASN 56 -0.195 -12.748 -8.088 463 HB2 ASN 56 2HB ASN 56 -0.442 -12.240 -10.468 464 HB3 ASN 56 3HB ASN 56 -2.149 -12.661 -10.399 465 HD21 ASN 56 1HD2 ASN 56 -2.857 -10.671 -11.043 466 HD22 ASN 56 2HD2 ASN 56 -2.743 -9.260 -10.054 467 H ILE 57 H ILE 57 -1.162 -13.822 -6.152 468 HA ILE 57 HA ILE 57 -3.996 -13.020 -5.864 469 HB ILE 57 HB ILE 57 -2.489 -15.153 -4.327 470 HG12 ILE 57 2HG1 ILE 57 -4.523 -16.527 -5.128 471 HG13 ILE 57 3HG1 ILE 57 -4.825 -15.207 -6.249 472 HG21 ILE 57 1HG2 ILE 57 -5.247 -14.035 -3.804 473 HG22 ILE 57 2HG2 ILE 57 -3.840 -13.920 -2.747 474 HG23 ILE 57 3HG2 ILE 57 -4.586 -15.489 -3.054 475 HD11 ILE 57 3HD1 ILE 57 -2.623 -15.569 -7.248 476 HD12 ILE 57 1HD1 ILE 57 -3.633 -17.011 -7.322 477 HD13 ILE 57 2HD1 ILE 57 -2.343 -16.902 -6.127 478 H ILE 58 H ILE 58 -3.696 -10.907 -5.278 479 HA ILE 58 HA ILE 58 -2.060 -10.154 -3.028 480 HB ILE 58 HB ILE 58 -4.260 -8.618 -4.446 481 HG12 ILE 58 2HG1 ILE 58 -1.241 -8.463 -4.735 482 HG13 ILE 58 3HG1 ILE 58 -2.340 -9.186 -5.903 483 HG21 ILE 58 1HG2 ILE 58 -3.294 -6.620 -3.383 484 HG22 ILE 58 2HG2 ILE 58 -2.178 -7.649 -2.483 485 HG23 ILE 58 3HG2 ILE 58 -3.914 -7.765 -2.193 486 HD11 ILE 58 3HD1 ILE 58 -1.641 -6.988 -6.619 487 HD12 ILE 58 1HD1 ILE 58 -2.241 -6.282 -5.119 488 HD13 ILE 58 2HD1 ILE 58 -3.370 -6.995 -6.271 489 H THR 59 H THR 59 -2.607 -10.313 -0.933 490 HA THR 59 HA THR 59 -5.444 -10.669 -0.200 491 HB THR 59 HB THR 59 -4.632 -12.908 -0.282 492 HG1 THR 59 HG1 THR 59 -4.252 -12.813 2.404 493 HG21 THR 59 3HG2 THR 59 -2.280 -11.976 1.372 494 HG22 THR 59 1HG2 THR 59 -2.237 -12.485 -0.316 495 HG23 THR 59 2HG2 THR 59 -2.625 -13.653 0.949 496 H ARG 60 H ARG 60 -5.763 -10.583 2.222 497 HA ARG 60 HA ARG 60 -4.867 -8.109 3.204 498 HB2 ARG 60 2HB ARG 60 -6.991 -9.316 3.837 499 HB3 ARG 60 3HB ARG 60 -6.017 -10.372 4.850 500 HG2 ARG 60 2HG ARG 60 -5.270 -8.386 6.134 501 HG3 ARG 60 3HG ARG 60 -6.354 -7.391 5.159 502 HD2 ARG 60 2HD ARG 60 -8.226 -8.926 5.932 503 HD3 ARG 60 3HD ARG 60 -7.078 -9.586 7.098 504 HE ARG 60 HE ARG 60 -7.926 -6.761 7.024 505 HH11 ARG 60 1HH1 ARG 60 -6.931 -9.551 8.795 506 HH12 ARG 60 2HH1 ARG 60 -7.118 -8.766 10.323 507 HH21 ARG 60 1HH2 ARG 60 -8.172 -5.795 8.992 508 HH22 ARG 60 2HH2 ARG 60 -7.807 -6.682 10.433 509 H GLY 61 H GLY 61 -3.094 -7.525 4.342 510 HA2 GLY 61 2HA GLY 61 -1.360 -7.793 5.923 511 HA3 GLY 61 3HA GLY 61 -1.567 -9.534 5.835 512 H ALA 62 H ALA 62 -1.574 -8.968 2.734 513 HA ALA 62 HA ALA 62 1.172 -9.639 2.326 514 HB1 ALA 62 3HB ALA 62 -0.915 -8.847 0.290 515 HB2 ALA 62 1HB ALA 62 -0.607 -10.484 0.867 516 HB3 ALA 62 2HB ALA 62 0.632 -9.626 -0.050 517 H VAL 63 H VAL 63 2.876 -8.364 1.835 518 HA VAL 63 HA VAL 63 2.440 -5.465 1.768 519 HB VAL 63 HB VAL 63 4.999 -7.044 2.148 520 HG11 VAL 63 1HG1 VAL 63 5.443 -4.863 1.151 521 HG12 VAL 63 2HG1 VAL 63 5.993 -4.903 2.824 522 HG13 VAL 63 3HG1 VAL 63 4.490 -4.076 2.411 523 HG21 VAL 63 3HG2 VAL 63 3.289 -5.563 4.156 524 HG22 VAL 63 1HG2 VAL 63 4.835 -6.341 4.495 525 HG23 VAL 63 2HG2 VAL 63 3.445 -7.313 4.018 526 H VAL 64 H VAL 64 2.448 -4.439 -0.124 527 HA VAL 64 HA VAL 64 3.807 -5.657 -2.434 528 HB VAL 64 HB VAL 64 2.441 -4.174 -3.842 529 HG11 VAL 64 1HG1 VAL 64 1.597 -6.397 -3.284 530 HG12 VAL 64 2HG1 VAL 64 0.274 -5.246 -3.463 531 HG13 VAL 64 3HG1 VAL 64 0.795 -5.746 -1.854 532 HG21 VAL 64 3HG2 VAL 64 0.624 -2.836 -2.893 533 HG22 VAL 64 1HG2 VAL 64 2.189 -2.289 -2.290 534 HG23 VAL 64 2HG2 VAL 64 1.142 -3.272 -1.264 535 H GLU 65 H GLU 65 5.465 -4.654 -3.472 536 HA GLU 65 HA GLU 65 6.653 -2.314 -2.225 537 HB2 GLU 65 2HB GLU 65 8.076 -4.206 -2.917 538 HB3 GLU 65 3HB GLU 65 7.582 -3.971 -4.589 539 HG2 GLU 65 2HG GLU 65 9.786 -3.049 -4.237 540 HG3 GLU 65 3HG GLU 65 8.642 -1.756 -4.586 541 H THR 66 H THR 66 6.262 -0.294 -2.857 542 HA THR 66 HA THR 66 5.190 0.203 -5.577 543 HB THR 66 HB THR 66 3.660 1.859 -4.712 544 HG1 THR 66 HG1 THR 66 4.453 1.217 -2.058 545 HG21 THR 66 3HG2 THR 66 2.154 0.493 -3.343 546 HG22 THR 66 1HG2 THR 66 3.464 -0.644 -3.019 547 HG23 THR 66 2HG2 THR 66 2.842 -0.460 -4.657 548 H ASN 67 H ASN 67 5.198 2.688 -6.002 549 HA ASN 67 HA ASN 67 7.856 3.606 -6.018 550 HB2 ASN 67 2HB ASN 67 6.941 5.721 -6.875 551 HB3 ASN 67 3HB ASN 67 6.192 4.339 -7.671 552 HD21 ASN 67 1HD2 ASN 67 5.204 7.049 -7.381 553 HD22 ASN 67 2HD2 ASN 67 3.692 6.934 -6.553 554 H LEU 68 H LEU 68 5.277 4.100 -3.694 555 HA LEU 68 HA LEU 68 6.746 6.133 -2.221 556 HB2 LEU 68 2HB LEU 68 4.182 4.675 -1.561 557 HB3 LEU 68 3HB LEU 68 4.856 5.991 -0.619 558 HG LEU 68 HG LEU 68 3.809 6.170 -3.452 559 HD11 LEU 68 1HD1 LEU 68 2.088 7.602 -2.482 560 HD12 LEU 68 2HD1 LEU 68 2.768 7.348 -0.873 561 HD13 LEU 68 3HD1 LEU 68 2.058 5.996 -1.754 562 HD21 LEU 68 3HD2 LEU 68 4.216 8.588 -3.249 563 HD22 LEU 68 1HD2 LEU 68 5.713 7.657 -3.184 564 HD23 LEU 68 2HD2 LEU 68 5.019 8.314 -1.701 565 H GLY 69 H GLY 69 6.428 2.678 -2.202 566 HA2 GLY 69 2HA GLY 69 8.463 1.767 -0.903 567 HA3 GLY 69 3HA GLY 69 7.678 2.522 0.472 568 H ASN 70 H ASN 70 7.471 0.548 1.576 569 HA ASN 70 HA ASN 70 6.155 -1.705 0.303 570 HB2 ASN 70 2HB ASN 70 7.154 -1.337 3.142 571 HB3 ASN 70 3HB ASN 70 6.554 -2.847 2.467 572 HD21 ASN 70 1HD2 ASN 70 7.795 -2.468 -0.113 573 HD22 ASN 70 2HD2 ASN 70 9.487 -2.705 0.115 574 H VAL 71 H VAL 71 3.995 -1.420 0.030 575 HA VAL 71 HA VAL 71 2.435 -0.218 2.204 576 HB VAL 71 HB VAL 71 1.543 -0.934 -0.598 577 HG11 VAL 71 1HG1 VAL 71 -0.302 -0.871 1.018 578 HG12 VAL 71 2HG1 VAL 71 -0.397 0.478 -0.110 579 HG13 VAL 71 3HG1 VAL 71 0.195 0.743 1.531 580 HG21 VAL 71 3HG2 VAL 71 1.707 1.465 -1.069 581 HG22 VAL 71 1HG2 VAL 71 3.273 0.797 -0.615 582 HG23 VAL 71 2HG2 VAL 71 2.350 1.745 0.552 583 H ARG 72 H ARG 72 1.438 -1.497 3.622 584 HA ARG 72 HA ARG 72 1.095 -4.333 3.065 585 HB2 ARG 72 2HB ARG 72 1.980 -3.591 5.242 586 HB3 ARG 72 3HB ARG 72 0.475 -2.740 5.563 587 HG2 ARG 72 2HG ARG 72 -0.751 -4.799 5.669 588 HG3 ARG 72 3HG ARG 72 0.651 -5.719 5.112 589 HD2 ARG 72 2HD ARG 72 0.502 -4.161 7.695 590 HD3 ARG 72 3HD ARG 72 0.300 -5.908 7.548 591 HE ARG 72 HE ARG 72 2.759 -5.108 6.406 592 HH11 ARG 72 1HH1 ARG 72 1.251 -5.500 9.476 593 HH12 ARG 72 2HH1 ARG 72 2.735 -5.872 10.276 594 HH21 ARG 72 1HH2 ARG 72 4.657 -5.572 7.437 595 HH22 ARG 72 2HH2 ARG 72 4.645 -5.910 9.132 596 H VAL 73 H VAL 73 -0.685 -5.117 2.184 597 HA VAL 73 HA VAL 73 -2.985 -3.567 1.622 598 HB VAL 73 HB VAL 73 -2.580 -6.563 1.455 599 HG11 VAL 73 1HG1 VAL 73 -4.763 -4.851 0.248 600 HG12 VAL 73 2HG1 VAL 73 -4.962 -6.060 1.517 601 HG13 VAL 73 3HG1 VAL 73 -4.490 -6.557 -0.107 602 HG21 VAL 73 3HG2 VAL 73 -2.198 -6.147 -0.935 603 HG22 VAL 73 1HG2 VAL 73 -1.018 -5.303 0.069 604 HG23 VAL 73 2HG2 VAL 73 -2.356 -4.410 -0.657 605 H THR 74 H THR 74 -4.649 -3.080 2.887 606 HA THR 74 HA THR 74 -5.229 -4.742 5.261 607 HB THR 74 HB THR 74 -6.398 -2.764 6.164 608 HG1 THR 74 HG1 THR 74 -6.311 -0.801 5.030 609 HG21 THR 74 3HG2 THR 74 -3.584 -2.163 5.226 610 HG22 THR 74 1HG2 THR 74 -4.021 -3.057 6.682 611 HG23 THR 74 2HG2 THR 74 -4.426 -1.346 6.544 612 H SER 75 H SER 75 -6.777 -3.075 2.539 613 HA SER 75 HA SER 75 -9.367 -4.284 3.174 614 HB2 SER 75 2HB SER 75 -8.553 -2.252 1.083 615 HB3 SER 75 3HB SER 75 -10.189 -2.891 1.240 616 HG SER 75 HG SER 75 -10.478 -1.433 2.701 617 H ARG 76 H ARG 76 -10.656 -5.261 1.424 618 HA ARG 76 HA ARG 76 -9.174 -7.355 0.129 619 HB2 ARG 76 2HB ARG 76 -12.120 -6.647 0.029 620 HB3 ARG 76 3HB ARG 76 -11.416 -8.124 -0.617 621 HG2 ARG 76 2HG ARG 76 -10.730 -8.812 1.607 622 HG3 ARG 76 3HG ARG 76 -11.331 -7.299 2.285 623 HD2 ARG 76 2HD ARG 76 -12.915 -9.130 2.654 624 HD3 ARG 76 3HD ARG 76 -13.606 -7.883 1.616 625 HE ARG 76 HE ARG 76 -12.377 -10.053 0.178 626 HH11 ARG 76 1HH1 ARG 76 -15.272 -8.958 1.698 627 HH12 ARG 76 2HH1 ARG 76 -16.290 -9.969 0.734 628 HH21 ARG 76 1HH2 ARG 76 -13.700 -11.344 -1.052 629 HH22 ARG 76 2HH2 ARG 76 -15.412 -11.297 -0.808 630 HA PRO 77 HA PRO 77 -8.198 -5.225 -3.672 631 HB2 PRO 77 2HB PRO 77 -8.566 -7.969 -4.813 632 HB3 PRO 77 3HB PRO 77 -7.234 -6.828 -5.037 633 HG2 PRO 77 2HG PRO 77 -6.948 -8.904 -3.403 634 HG3 PRO 77 3HG PRO 77 -6.290 -7.316 -2.961 635 HD2 PRO 77 2HD PRO 77 -8.729 -8.712 -1.939 636 HD3 PRO 77 3HD PRO 77 -7.589 -7.655 -1.080 637 H GLY 78 H GLY 78 -10.831 -7.626 -3.768 638 HA2 GLY 78 2HA GLY 78 -12.132 -6.135 -5.930 639 HA3 GLY 78 3HA GLY 78 -12.604 -7.705 -5.319 640 H GLN 79 H GLN 79 -12.015 -4.918 -3.249 641 HA GLN 79 HA GLN 79 -14.680 -5.051 -2.166 642 HB2 GLN 79 2HB GLN 79 -12.786 -4.515 -0.725 643 HB3 GLN 79 3HB GLN 79 -12.424 -3.087 -1.684 644 HG2 GLN 79 2HG GLN 79 -14.568 -2.103 -1.005 645 HG3 GLN 79 3HG GLN 79 -14.903 -3.525 -0.020 646 HE21 GLN 79 1HE2 GLN 79 -14.577 -0.693 0.716 647 HE22 GLN 79 2HE2 GLN 79 -13.347 -0.676 1.925 648 H ASP 80 H ASP 80 -13.112 -2.005 -3.115 649 HA ASP 80 HA ASP 80 -15.548 -1.222 -4.572 650 HB2 ASP 80 2HB ASP 80 -13.208 0.430 -3.567 651 HB3 ASP 80 3HB ASP 80 -14.591 1.082 -4.443 652 H GLY 81 H GLY 81 -13.383 -3.041 -5.600 653 HA2 GLY 81 2HA GLY 81 -12.432 -3.421 -7.682 654 HA3 GLY 81 3HA GLY 81 -12.995 -1.835 -8.193 655 H VAL 82 H VAL 82 -11.327 -1.629 -5.300 656 HA VAL 82 HA VAL 82 -8.686 -1.268 -6.485 657 HB VAL 82 HB VAL 82 -9.785 0.927 -6.737 658 HG11 VAL 82 1HG1 VAL 82 -10.417 2.251 -4.770 659 HG12 VAL 82 2HG1 VAL 82 -10.068 0.871 -3.730 660 HG13 VAL 82 3HG1 VAL 82 -11.382 0.780 -4.901 661 HG21 VAL 82 3HG2 VAL 82 -7.617 0.908 -4.627 662 HG22 VAL 82 1HG2 VAL 82 -8.076 2.295 -5.617 663 HG23 VAL 82 2HG2 VAL 82 -7.375 0.866 -6.374 664 H ILE 83 H ILE 83 -6.995 -1.193 -4.915 665 HA ILE 83 HA ILE 83 -7.679 -2.623 -2.450 666 HB ILE 83 HB ILE 83 -4.974 -2.143 -3.732 667 HG12 ILE 83 2HG1 ILE 83 -6.533 -4.728 -3.710 668 HG13 ILE 83 3HG1 ILE 83 -6.673 -3.579 -5.033 669 HG21 ILE 83 1HG2 ILE 83 -5.781 -4.006 -1.492 670 HG22 ILE 83 2HG2 ILE 83 -4.800 -2.549 -1.337 671 HG23 ILE 83 3HG2 ILE 83 -4.188 -3.931 -2.241 672 HD11 ILE 83 3HD1 ILE 83 -4.155 -4.972 -4.136 673 HD12 ILE 83 1HD1 ILE 83 -4.271 -3.812 -5.460 674 HD13 ILE 83 2HD1 ILE 83 -5.114 -5.356 -5.562 675 H ASN 84 H ASN 84 -7.156 -1.869 -0.392 676 HA ASN 84 HA ASN 84 -5.840 0.776 -0.187 677 HB2 ASN 84 2HB ASN 84 -7.964 -0.423 1.619 678 HB3 ASN 84 3HB ASN 84 -7.080 1.055 1.980 679 HD21 ASN 84 1HD2 ASN 84 -8.946 2.284 2.011 680 HD22 ASN 84 2HD2 ASN 84 -9.820 2.679 0.577 681 H GLY 85 H GLY 85 -4.315 1.080 1.510 682 HA2 GLY 85 2HA GLY 85 -3.656 -1.078 3.319 683 HA3 GLY 85 3HA GLY 85 -2.488 -0.878 2.024 684 H VAL 86 H VAL 86 -1.127 -0.548 4.075 685 HA VAL 86 HA VAL 86 -1.114 2.335 4.790 686 HB VAL 86 HB VAL 86 0.176 0.290 6.577 687 HG11 VAL 86 1HG1 VAL 86 0.654 2.642 6.978 688 HG12 VAL 86 2HG1 VAL 86 -0.270 1.954 8.313 689 HG13 VAL 86 3HG1 VAL 86 -1.072 2.983 7.124 690 HG21 VAL 86 3HG2 VAL 86 -1.897 0.135 7.906 691 HG22 VAL 86 1HG2 VAL 86 -2.076 -0.564 6.296 692 HG23 VAL 86 2HG2 VAL 86 -2.755 1.026 6.649 693 H LEU 87 H LEU 87 0.928 3.387 4.912 694 HA LEU 87 HA LEU 87 2.937 2.187 3.169 695 HB2 LEU 87 2HB LEU 87 2.182 4.487 2.761 696 HB3 LEU 87 3HB LEU 87 2.757 4.965 4.345 697 HG LEU 87 HG LEU 87 5.072 4.496 3.662 698 HD11 LEU 87 1HD1 LEU 87 3.893 3.878 0.951 699 HD12 LEU 87 2HD1 LEU 87 4.631 2.713 2.052 700 HD13 LEU 87 3HD1 LEU 87 5.611 3.992 1.339 701 HD21 LEU 87 3HD2 LEU 87 4.223 6.748 3.369 702 HD22 LEU 87 1HD2 LEU 87 3.561 6.325 1.789 703 HD23 LEU 87 2HD2 LEU 87 5.306 6.341 2.037 704 H ILE 88 H ILE 88 4.479 0.953 4.074 705 HA ILE 88 HA ILE 88 6.006 2.081 6.329 706 HB ILE 88 HB ILE 88 6.316 -0.150 7.323 707 HG12 ILE 88 2HG1 ILE 88 4.308 -1.037 5.238 708 HG13 ILE 88 3HG1 ILE 88 5.983 -1.548 5.360 709 HG21 ILE 88 1HG2 ILE 88 3.407 0.627 7.067 710 HG22 ILE 88 2HG2 ILE 88 4.565 1.291 8.217 711 HG23 ILE 88 3HG2 ILE 88 4.091 -0.403 8.326 712 HD11 ILE 88 3HD1 ILE 88 4.486 -3.274 6.163 713 HD12 ILE 88 1HD1 ILE 88 3.803 -2.158 7.345 714 HD13 ILE 88 2HD1 ILE 88 5.487 -2.661 7.480 715 H ARG 89 H ARG 89 8.029 0.358 6.579 716 HA ARG 89 HA ARG 89 9.034 -0.419 3.949 717 HB2 ARG 89 2HB ARG 89 10.418 1.594 5.724 718 HB3 ARG 89 3HB ARG 89 11.301 0.641 4.542 719 HG2 ARG 89 2HG ARG 89 9.066 2.583 3.964 720 HG3 ARG 89 3HG ARG 89 10.786 2.833 3.656 721 HD2 ARG 89 2HD ARG 89 9.012 0.761 2.357 722 HD3 ARG 89 3HD ARG 89 9.624 2.231 1.604 723 HE ARG 89 HE ARG 89 11.842 0.793 2.443 724 HH11 ARG 89 1HH1 ARG 89 9.219 0.334 0.259 725 HH12 ARG 89 2HH1 ARG 89 10.119 -0.686 -0.799 726 HH21 ARG 89 1HH2 ARG 89 12.998 -0.520 1.047 727 HH22 ARG 89 2HH2 ARG 89 12.225 -1.152 -0.361 728 H GLU 90 H GLU 90 8.970 -2.547 4.557 729 HA GLU 90 HA GLU 90 10.638 -3.419 6.799 730 HB2 GLU 90 2HB GLU 90 8.847 -4.983 4.918 731 HB3 GLU 90 3HB GLU 90 9.748 -5.684 6.257 732 HG2 GLU 90 2HG GLU 90 8.490 -4.304 7.839 733 HG3 GLU 90 3HG GLU 90 7.599 -3.580 6.503 734 H LEU 91 H LEU 91 11.005 -2.662 3.597 735 HA LEU 91 HA LEU 91 13.393 -4.380 3.308 736 HB2 LEU 91 2HB LEU 91 11.830 -3.016 1.108 737 HB3 LEU 91 3HB LEU 91 13.170 -4.128 0.901 738 HG LEU 91 HG LEU 91 10.442 -4.829 2.010 739 HD11 LEU 91 1HD1 LEU 91 10.202 -6.136 -0.057 740 HD12 LEU 91 2HD1 LEU 91 11.742 -5.493 -0.633 741 HD13 LEU 91 3HD1 LEU 91 10.371 -4.409 -0.377 742 HD21 LEU 91 3HD2 LEU 91 12.195 -6.179 3.044 743 HD22 LEU 91 1HD2 LEU 91 12.820 -6.608 1.451 744 HD23 LEU 91 2HD2 LEU 91 11.217 -7.148 1.947 745 H GLU 92 H GLU 92 15.032 -3.250 1.733 746 HA GLU 92 HA GLU 92 16.400 -1.299 2.990 747 HB2 GLU 92 2HB GLU 92 16.277 -2.181 0.163 748 HB3 GLU 92 3HB GLU 92 17.100 -0.659 0.459 749 HG2 GLU 92 2HG GLU 92 17.769 -3.267 1.814 750 HG3 GLU 92 3HG GLU 92 18.619 -2.599 0.419 751 H HIS 93 H HIS 93 15.926 0.697 3.647 752 HA HIS 93 HA HIS 93 14.504 2.512 1.787 753 HB2 HIS 93 2HB HIS 93 13.224 2.011 3.851 754 HB3 HIS 93 3HB HIS 93 14.561 2.611 4.822 755 HD1 HIS 93 HD1 HIS 93 14.057 4.856 5.695 756 HD2 HIS 93 HD2 HIS 93 12.424 4.294 1.912 757 HE1 HIS 93 HE1 HIS 93 12.875 7.000 5.148 758 HE2 HIS 93 HE2 HIS 93 11.779 6.587 2.922 759 H HIS 94 H HIS 94 17.472 1.798 2.443 760 HA HIS 94 HA HIS 94 18.570 4.309 3.380 761 HB2 HIS 94 2HB HIS 94 19.930 1.819 2.313 762 HB3 HIS 94 3HB HIS 94 20.766 3.197 3.023 763 HD1 HIS 94 HD1 HIS 94 19.662 -0.047 3.908 764 HD2 HIS 94 HD2 HIS 94 19.680 3.636 5.830 765 HE1 HIS 94 HE1 HIS 94 19.453 -0.561 6.353 766 HE2 HIS 94 HE2 HIS 94 19.683 1.668 7.495 767 H HIS 95 H HIS 95 17.197 3.715 0.546 768 HA HIS 95 HA HIS 95 19.118 4.258 -1.424 769 HB2 HIS 95 2HB HIS 95 16.826 3.366 -1.842 770 HB3 HIS 95 3HB HIS 95 16.178 4.972 -1.531 771 HD1 HIS 95 HD1 HIS 95 15.501 5.897 -3.729 772 HD2 HIS 95 HD2 HIS 95 19.136 3.901 -3.966 773 HE1 HIS 95 HE1 HIS 95 16.282 6.208 -6.088 774 HE2 HIS 95 HE2 HIS 95 18.585 5.208 -6.130 775 H HIS 96 H HIS 96 17.680 6.390 0.869 776 HA HIS 96 HA HIS 96 18.166 8.838 -0.559 777 HB2 HIS 96 2HB HIS 96 16.463 8.765 1.185 778 HB3 HIS 96 3HB HIS 96 17.668 8.309 2.385 779 HD1 HIS 96 HD1 HIS 96 18.711 10.192 3.658 780 HD2 HIS 96 HD2 HIS 96 16.920 11.484 0.136 781 HE1 HIS 96 HE1 HIS 96 18.897 12.693 3.688 782 HE2 HIS 96 HE2 HIS 96 17.655 13.456 1.638 783 H HIS 97 H HIS 97 20.169 6.648 1.080 784 HA HIS 97 HA HIS 97 22.260 8.687 1.509 785 HB2 HIS 97 2HB HIS 97 21.547 7.660 3.612 786 HB3 HIS 97 3HB HIS 97 21.840 6.053 2.955 787 HD1 HIS 97 HD1 HIS 97 23.642 9.101 4.209 788 HD2 HIS 97 HD2 HIS 97 24.486 5.210 3.021 789 HE1 HIS 97 HE1 HIS 97 26.045 8.713 4.824 790 HE2 HIS 97 HE2 HIS 97 26.576 6.426 3.933 791 H HIS 98 H HIS 98 24.330 8.299 0.780 792 HA HIS 98 HA HIS 98 25.054 5.675 -0.262 793 HB2 HIS 98 2HB HIS 98 24.040 6.932 -2.189 794 HB3 HIS 98 3HB HIS 98 25.310 8.138 -2.012 795 HD1 HIS 98 HD1 HIS 98 27.783 7.300 -2.533 796 HD2 HIS 98 HD2 HIS 98 24.746 4.674 -3.604 797 HE1 HIS 98 HE1 HIS 98 28.842 5.650 -4.098 798 HE2 HIS 98 HE2 HIS 98 26.978 4.110 -4.782 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 7.301 -12.783 -17.141 2 H2 GLY 1 2H GLY 1 5.669 -12.635 -17.552 3 H3 GLY 1 3H GLY 1 6.119 -12.835 -15.934 4 HA2 GLY 1 2HA GLY 1 5.524 -10.537 -16.353 5 HA3 GLY 1 3HA GLY 1 7.217 -10.692 -15.917 6 H ASP 2 H ASP 2 6.082 -8.481 -17.314 7 HA ASP 2 HA ASP 2 7.915 -8.313 -19.494 8 HB2 ASP 2 2HB ASP 2 6.220 -7.893 -21.280 9 HB3 ASP 2 3HB ASP 2 6.231 -9.553 -20.698 10 H ARG 3 H ARG 3 5.075 -6.902 -17.892 11 HA ARG 3 HA ARG 3 4.460 -4.767 -17.424 12 HB2 ARG 3 2HB ARG 3 7.464 -4.492 -17.434 13 HB3 ARG 3 3HB ARG 3 6.418 -3.128 -17.061 14 HG2 ARG 3 2HG ARG 3 6.472 -5.752 -15.563 15 HG3 ARG 3 3HG ARG 3 7.231 -4.243 -15.038 16 HD2 ARG 3 2HD ARG 3 5.012 -3.163 -15.029 17 HD3 ARG 3 3HD ARG 3 4.275 -4.697 -15.483 18 HE ARG 3 HE ARG 3 5.426 -5.448 -13.257 19 HH11 ARG 3 1HH1 ARG 3 3.921 -2.415 -13.891 20 HH12 ARG 3 2HH1 ARG 3 3.318 -2.237 -12.282 21 HH21 ARG 3 1HH2 ARG 3 4.663 -5.208 -11.164 22 HH22 ARG 3 2HH2 ARG 3 3.733 -3.811 -10.751 23 H ARG 4 H ARG 4 4.671 -5.582 -20.258 24 HA ARG 4 HA ARG 4 5.438 -3.226 -21.753 25 HB2 ARG 4 2HB ARG 4 4.009 -5.760 -22.598 26 HB3 ARG 4 3HB ARG 4 4.559 -4.504 -23.701 27 HG2 ARG 4 2HG ARG 4 6.348 -6.139 -21.904 28 HG3 ARG 4 3HG ARG 4 6.082 -6.434 -23.623 29 HD2 ARG 4 2HD ARG 4 6.966 -4.174 -24.111 30 HD3 ARG 4 3HD ARG 4 7.301 -3.961 -22.391 31 HE ARG 4 HE ARG 4 8.815 -5.942 -22.642 32 HH11 ARG 4 1HH1 ARG 4 8.062 -3.964 -25.352 33 HH12 ARG 4 2HH1 ARG 4 9.549 -4.318 -26.165 34 HH21 ARG 4 1HH2 ARG 4 10.714 -6.401 -23.690 35 HH22 ARG 4 2HH2 ARG 4 11.040 -5.669 -25.227 36 H VAL 5 H VAL 5 3.661 -2.336 -19.960 37 HA VAL 5 HA VAL 5 0.965 -2.345 -21.018 38 HB VAL 5 HB VAL 5 0.429 -0.844 -19.137 39 HG11 VAL 5 1HG1 VAL 5 0.881 -2.434 -17.319 40 HG12 VAL 5 2HG1 VAL 5 2.065 -3.257 -18.337 41 HG13 VAL 5 3HG1 VAL 5 0.359 -3.258 -18.791 42 HG21 VAL 5 3HG2 VAL 5 2.515 0.418 -19.003 43 HG22 VAL 5 1HG2 VAL 5 3.378 -1.030 -18.481 44 HG23 VAL 5 2HG2 VAL 5 2.141 -0.317 -17.443 45 H ARG 6 H ARG 6 -0.091 -0.648 -22.015 46 HA ARG 6 HA ARG 6 1.376 1.165 -23.569 47 HB2 ARG 6 2HB ARG 6 -0.828 2.245 -24.019 48 HB3 ARG 6 3HB ARG 6 -0.827 0.503 -24.250 49 HG2 ARG 6 2HG ARG 6 -1.910 0.210 -22.065 50 HG3 ARG 6 3HG ARG 6 -1.919 1.960 -21.836 51 HD2 ARG 6 2HD ARG 6 -3.341 0.433 -24.025 52 HD3 ARG 6 3HD ARG 6 -4.096 1.169 -22.612 53 HE ARG 6 HE ARG 6 -3.357 3.340 -23.523 54 HH11 ARG 6 1HH1 ARG 6 -3.582 0.653 -25.669 55 HH12 ARG 6 2HH1 ARG 6 -3.800 1.655 -27.060 56 HH21 ARG 6 1HH2 ARG 6 -3.645 4.608 -25.308 57 HH22 ARG 6 2HH2 ARG 6 -3.842 3.872 -26.860 58 H LEU 7 H LEU 7 2.535 2.833 -22.888 59 HA LEU 7 HA LEU 7 2.465 4.020 -20.377 60 HB2 LEU 7 2HB LEU 7 3.460 5.116 -23.011 61 HB3 LEU 7 3HB LEU 7 3.683 5.955 -21.490 62 HG LEU 7 HG LEU 7 4.966 3.957 -20.655 63 HD11 LEU 7 1HD1 LEU 7 4.120 2.246 -22.145 64 HD12 LEU 7 2HD1 LEU 7 5.866 2.388 -22.327 65 HD13 LEU 7 3HD1 LEU 7 4.795 3.086 -23.542 66 HD21 LEU 7 3HD2 LEU 7 6.064 5.331 -23.113 67 HD22 LEU 7 1HD2 LEU 7 7.013 4.519 -21.866 68 HD23 LEU 7 2HD2 LEU 7 6.093 5.969 -21.469 69 H ILE 8 H ILE 8 0.794 4.990 -23.337 70 HA ILE 8 HA ILE 8 -0.525 7.189 -21.948 71 HB ILE 8 HB ILE 8 0.240 7.660 -24.191 72 HG12 ILE 8 2HG1 ILE 8 -1.880 8.441 -25.227 73 HG13 ILE 8 3HG1 ILE 8 -2.783 7.450 -24.085 74 HG21 ILE 8 1HG2 ILE 8 -1.532 5.405 -25.135 75 HG22 ILE 8 2HG2 ILE 8 0.231 5.410 -25.120 76 HG23 ILE 8 3HG2 ILE 8 -0.644 6.523 -26.171 77 HD11 ILE 8 3HD1 ILE 8 -2.725 9.796 -23.420 78 HD12 ILE 8 1HD1 ILE 8 -0.963 9.739 -23.358 79 HD13 ILE 8 2HD1 ILE 8 -1.918 8.768 -22.235 80 H ARG 9 H ARG 9 -1.941 6.267 -20.504 81 HA ARG 9 HA ARG 9 -4.136 4.689 -21.669 82 HB2 ARG 9 2HB ARG 9 -4.250 3.639 -19.259 83 HB3 ARG 9 3HB ARG 9 -3.166 2.999 -20.479 84 HG2 ARG 9 2HG ARG 9 -1.770 3.048 -18.674 85 HG3 ARG 9 3HG ARG 9 -1.427 4.626 -19.367 86 HD2 ARG 9 2HD ARG 9 -3.523 4.316 -17.236 87 HD3 ARG 9 3HD ARG 9 -1.817 4.402 -16.807 88 HE ARG 9 HE ARG 9 -2.682 6.547 -18.510 89 HH11 ARG 9 1HH1 ARG 9 -2.397 5.473 -15.257 90 HH12 ARG 9 2HH1 ARG 9 -2.403 7.073 -14.608 91 HH21 ARG 9 1HH2 ARG 9 -2.725 8.611 -17.659 92 HH22 ARG 9 2HH2 ARG 9 -2.615 8.824 -15.949 93 H THR 10 H THR 10 -5.038 6.876 -21.897 94 HA THR 10 HA THR 10 -6.020 8.184 -19.490 95 HB THR 10 HB THR 10 -7.100 9.774 -21.076 96 HG1 THR 10 HG1 THR 10 -6.718 9.525 -23.297 97 HG21 THR 10 3HG2 THR 10 -5.024 10.737 -21.970 98 HG22 THR 10 1HG2 THR 10 -4.179 9.223 -21.642 99 HG23 THR 10 2HG2 THR 10 -4.811 10.187 -20.306 100 H ARG 11 H ARG 11 -6.935 5.467 -19.975 101 HA ARG 11 HA ARG 11 -9.648 5.573 -20.928 102 HB2 ARG 11 2HB ARG 11 -9.643 3.160 -19.908 103 HB3 ARG 11 3HB ARG 11 -8.745 3.506 -21.374 104 HG2 ARG 11 2HG ARG 11 -7.494 2.070 -19.837 105 HG3 ARG 11 3HG ARG 11 -6.668 3.597 -20.132 106 HD2 ARG 11 2HD ARG 11 -6.599 2.841 -17.760 107 HD3 ARG 11 3HD ARG 11 -7.311 4.436 -17.982 108 HE ARG 11 HE ARG 11 -9.461 2.788 -17.982 109 HH11 ARG 11 1HH1 ARG 11 -6.789 3.102 -15.829 110 HH12 ARG 11 2HH1 ARG 11 -7.750 2.786 -14.430 111 HH21 ARG 11 1HH2 ARG 11 -10.673 2.383 -16.206 112 HH22 ARG 11 2HH2 ARG 11 -9.942 2.367 -14.641 113 H GLY 12 H GLY 12 -9.166 7.351 -18.691 114 HA2 GLY 12 2HA GLY 12 -10.032 6.263 -16.227 115 HA3 GLY 12 3HA GLY 12 -10.026 7.964 -16.653 116 H GLY 13 H GLY 13 -12.008 6.205 -15.203 117 HA2 GLY 13 2HA GLY 13 -14.296 6.483 -14.906 118 HA3 GLY 13 3HA GLY 13 -14.361 7.381 -16.415 119 H ASN 14 H ASN 14 -13.976 5.938 -18.425 120 HA ASN 14 HA ASN 14 -16.011 3.888 -18.299 121 HB2 ASN 14 2HB ASN 14 -15.899 5.509 -20.174 122 HB3 ASN 14 3HB ASN 14 -14.371 4.794 -20.680 123 HD21 ASN 14 1HD2 ASN 14 -17.805 4.265 -20.359 124 HD22 ASN 14 2HD2 ASN 14 -17.890 2.933 -21.455 125 H THR 15 H THR 15 -15.070 2.249 -17.069 126 HA THR 15 HA THR 15 -13.587 0.320 -18.647 127 HB THR 15 HB THR 15 -12.420 1.140 -15.965 128 HG1 THR 15 HG1 THR 15 -11.865 2.032 -18.539 129 HG21 THR 15 3HG2 THR 15 -10.570 -0.350 -16.590 130 HG22 THR 15 1HG2 THR 15 -11.418 -0.776 -18.079 131 HG23 THR 15 2HG2 THR 15 -12.102 -1.222 -16.514 132 H LYS 16 H LYS 16 -15.159 -1.241 -18.424 133 HA LYS 16 HA LYS 16 -16.737 -1.549 -16.077 134 HB2 LYS 16 2HB LYS 16 -17.237 -2.262 -18.532 135 HB3 LYS 16 3HB LYS 16 -16.380 -3.736 -18.118 136 HG2 LYS 16 2HG LYS 16 -18.785 -2.705 -16.611 137 HG3 LYS 16 3HG LYS 16 -18.872 -3.871 -17.930 138 HD2 LYS 16 2HD LYS 16 -17.309 -4.289 -15.376 139 HD3 LYS 16 3HD LYS 16 -18.937 -4.895 -15.659 140 HE2 LYS 16 2HE LYS 16 -16.499 -5.604 -17.299 141 HE3 LYS 16 3HE LYS 16 -17.221 -6.617 -16.049 142 HZ1 LYS 16 3HZ LYS 16 -18.524 -5.756 -18.574 143 HZ2 LYS 16 1HZ LYS 16 -19.269 -6.671 -17.358 144 HZ3 LYS 16 2HZ LYS 16 -17.958 -7.308 -18.218 145 H VAL 17 H VAL 17 -14.019 -3.463 -17.383 146 HA VAL 17 HA VAL 17 -13.938 -5.324 -15.257 147 HB VAL 17 HB VAL 17 -12.850 -5.764 -17.416 148 HG11 VAL 17 1HG1 VAL 17 -10.714 -4.733 -17.998 149 HG12 VAL 17 2HG1 VAL 17 -10.811 -3.702 -16.572 150 HG13 VAL 17 3HG1 VAL 17 -11.987 -3.520 -17.873 151 HG21 VAL 17 3HG2 VAL 17 -10.915 -5.806 -15.093 152 HG22 VAL 17 1HG2 VAL 17 -10.797 -6.785 -16.554 153 HG23 VAL 17 2HG2 VAL 17 -12.143 -7.024 -15.439 154 H ARG 18 H ARG 18 -12.898 -5.339 -13.328 155 HA ARG 18 HA ARG 18 -12.297 -2.933 -12.021 156 HB2 ARG 18 2HB ARG 18 -11.382 -4.406 -10.219 157 HB3 ARG 18 3HB ARG 18 -12.996 -4.845 -10.764 158 HG2 ARG 18 2HG ARG 18 -12.010 -6.619 -12.173 159 HG3 ARG 18 3HG ARG 18 -10.417 -6.205 -11.535 160 HD2 ARG 18 2HD ARG 18 -11.442 -8.152 -10.404 161 HD3 ARG 18 3HD ARG 18 -11.098 -6.817 -9.306 162 HE ARG 18 HE ARG 18 -13.437 -6.347 -9.206 163 HH11 ARG 18 1HH1 ARG 18 -12.695 -9.213 -10.970 164 HH12 ARG 18 2HH1 ARG 18 -14.274 -9.878 -10.756 165 HH21 ARG 18 1HH2 ARG 18 -15.455 -7.200 -8.958 166 HH22 ARG 18 2HH2 ARG 18 -15.825 -8.750 -9.630 167 H LEU 19 H LEU 19 -10.255 -4.944 -13.983 168 HA LEU 19 HA LEU 19 -8.083 -3.040 -13.704 169 HB2 LEU 19 2HB LEU 19 -7.752 -4.753 -11.893 170 HB3 LEU 19 3HB LEU 19 -7.574 -5.971 -13.140 171 HG LEU 19 HG LEU 19 -5.756 -3.573 -13.113 172 HD11 LEU 19 1HD1 LEU 19 -5.344 -6.098 -11.507 173 HD12 LEU 19 2HD1 LEU 19 -5.674 -4.497 -10.846 174 HD13 LEU 19 3HD1 LEU 19 -4.173 -4.796 -11.719 175 HD21 LEU 19 3HD2 LEU 19 -4.188 -5.125 -14.163 176 HD22 LEU 19 1HD2 LEU 19 -5.698 -5.037 -15.069 177 HD23 LEU 19 2HD2 LEU 19 -5.374 -6.425 -14.030 178 H ALA 20 H ALA 20 -7.473 -2.572 -15.714 179 HA ALA 20 HA ALA 20 -7.661 -4.646 -17.800 180 HB1 ALA 20 3HB ALA 20 -7.729 -2.820 -19.420 181 HB2 ALA 20 1HB ALA 20 -7.541 -1.645 -18.119 182 HB3 ALA 20 2HB ALA 20 -8.998 -2.632 -18.210 183 H SER 21 H SER 21 -5.649 -1.706 -17.485 184 HA SER 21 HA SER 21 -3.219 -3.379 -17.731 185 HB2 SER 21 2HB SER 21 -3.739 -2.408 -19.956 186 HB3 SER 21 3HB SER 21 -3.744 -0.796 -19.245 187 HG SER 21 HG SER 21 -1.506 -1.243 -18.637 188 H ASP 22 H ASP 22 -4.807 -1.657 -15.701 189 HA ASP 22 HA ASP 22 -2.678 0.201 -14.861 190 HB2 ASP 22 2HB ASP 22 -5.573 0.260 -13.982 191 HB3 ASP 22 3HB ASP 22 -4.378 1.550 -13.873 192 H THR 23 H THR 23 -1.906 0.107 -12.730 193 HA THR 23 HA THR 23 -3.281 -1.641 -10.813 194 HB THR 23 HB THR 23 -0.308 -1.893 -11.364 195 HG1 THR 23 HG1 THR 23 -2.502 -3.207 -12.370 196 HG21 THR 23 3HG2 THR 23 -2.084 -3.406 -9.433 197 HG22 THR 23 1HG2 THR 23 -0.860 -2.216 -8.991 198 HG23 THR 23 2HG2 THR 23 -0.379 -3.737 -9.742 199 H ARG 24 H ARG 24 -3.690 -0.392 -9.120 200 HA ARG 24 HA ARG 24 -1.615 1.342 -7.993 201 HB2 ARG 24 2HB ARG 24 -4.314 2.329 -8.949 202 HB3 ARG 24 3HB ARG 24 -3.303 3.234 -7.831 203 HG2 ARG 24 2HG ARG 24 -1.607 3.536 -9.466 204 HG3 ARG 24 3HG ARG 24 -2.352 2.365 -10.553 205 HD2 ARG 24 2HD ARG 24 -2.747 4.659 -11.302 206 HD3 ARG 24 3HD ARG 24 -4.256 3.858 -10.880 207 HE ARG 24 HE ARG 24 -4.106 5.122 -8.731 208 HH11 ARG 24 1HH1 ARG 24 -2.438 6.285 -11.510 209 HH12 ARG 24 2HH1 ARG 24 -2.579 7.939 -11.030 210 HH21 ARG 24 1HH2 ARG 24 -4.275 7.270 -8.137 211 HH22 ARG 24 2HH2 ARG 24 -3.602 8.487 -9.161 212 H ILE 25 H ILE 25 -2.372 2.321 -5.861 213 HA ILE 25 HA ILE 25 -4.457 0.834 -4.475 214 HB ILE 25 HB ILE 25 -2.630 -0.708 -4.237 215 HG12 ILE 25 2HG1 ILE 25 -2.925 0.855 -1.653 216 HG13 ILE 25 3HG1 ILE 25 -4.073 -0.341 -2.247 217 HG21 ILE 25 1HG2 ILE 25 -0.997 1.613 -3.205 218 HG22 ILE 25 2HG2 ILE 25 -0.763 0.748 -4.725 219 HG23 ILE 25 3HG2 ILE 25 -0.485 -0.077 -3.189 220 HD11 ILE 25 3HD1 ILE 25 -2.315 -2.059 -2.098 221 HD12 ILE 25 1HD1 ILE 25 -2.676 -1.307 -0.543 222 HD13 ILE 25 2HD1 ILE 25 -1.220 -0.848 -1.427 223 H ASN 26 H ASN 26 -5.453 2.091 -3.011 224 HA ASN 26 HA ASN 26 -4.536 4.700 -2.299 225 HB2 ASN 26 2HB ASN 26 -6.771 2.987 -1.178 226 HB3 ASN 26 3HB ASN 26 -6.480 4.659 -0.709 227 HD21 ASN 26 1HD2 ASN 26 -8.543 5.224 -1.452 228 HD22 ASN 26 2HD2 ASN 26 -8.887 5.369 -3.139 229 H VAL 27 H VAL 27 -2.757 4.887 -1.067 230 HA VAL 27 HA VAL 27 -2.278 2.999 1.134 231 HB VAL 27 HB VAL 27 -0.372 5.022 -0.070 232 HG11 VAL 27 1HG1 VAL 27 1.371 3.732 1.062 233 HG12 VAL 27 2HG1 VAL 27 0.147 2.667 1.755 234 HG13 VAL 27 3HG1 VAL 27 0.201 4.369 2.219 235 HG21 VAL 27 3HG2 VAL 27 -1.021 3.388 -1.750 236 HG22 VAL 27 1HG2 VAL 27 -0.645 2.065 -0.644 237 HG23 VAL 27 2HG2 VAL 27 0.645 3.109 -1.242 238 H VAL 28 H VAL 28 -2.479 3.603 3.201 239 HA VAL 28 HA VAL 28 -2.944 6.417 3.862 240 HB VAL 28 HB VAL 28 -3.221 3.966 5.624 241 HG11 VAL 28 1HG1 VAL 28 -4.509 5.445 7.112 242 HG12 VAL 28 2HG1 VAL 28 -4.146 6.813 6.057 243 HG13 VAL 28 3HG1 VAL 28 -2.843 5.997 6.920 244 HG21 VAL 28 3HG2 VAL 28 -5.645 4.216 5.286 245 HG22 VAL 28 1HG2 VAL 28 -4.804 3.888 3.769 246 HG23 VAL 28 2HG2 VAL 28 -5.350 5.526 4.140 247 H ASP 29 H ASP 29 -1.283 7.612 4.503 248 HA ASP 29 HA ASP 29 1.228 6.518 5.347 249 HB2 ASP 29 2HB ASP 29 0.917 8.634 4.009 250 HB3 ASP 29 3HB ASP 29 0.275 9.394 5.457 251 HA PRO 30 HA PRO 30 -0.177 6.360 9.668 252 HB2 PRO 30 2HB PRO 30 1.892 4.954 10.657 253 HB3 PRO 30 3HB PRO 30 0.668 4.193 9.626 254 HG2 PRO 30 2HG PRO 30 3.394 5.221 8.882 255 HG3 PRO 30 3HG PRO 30 2.631 3.675 8.457 256 HD2 PRO 30 2HD PRO 30 2.679 5.810 6.766 257 HD3 PRO 30 3HD PRO 30 1.359 4.621 6.775 258 H GLU 31 H GLU 31 2.731 7.749 8.406 259 HA GLU 31 HA GLU 31 3.642 8.832 10.944 260 HB2 GLU 31 2HB GLU 31 4.663 9.279 8.125 261 HB3 GLU 31 3HB GLU 31 5.458 9.823 9.597 262 HG2 GLU 31 2HG GLU 31 4.915 6.930 8.932 263 HG3 GLU 31 3HG GLU 31 6.431 7.763 8.594 264 H THR 32 H THR 32 2.210 10.078 7.929 265 HA THR 32 HA THR 32 1.958 12.746 9.179 266 HB THR 32 HB THR 32 1.643 13.672 6.961 267 HG1 THR 32 HG1 THR 32 2.201 11.412 5.509 268 HG21 THR 32 3HG2 THR 32 3.954 11.717 6.997 269 HG22 THR 32 1HG2 THR 32 3.957 13.338 7.692 270 HG23 THR 32 2HG2 THR 32 3.818 13.128 5.947 271 H GLY 33 H GLY 33 0.074 10.038 8.154 272 HA2 GLY 33 2HA GLY 33 -2.163 9.643 8.670 273 HA3 GLY 33 3HA GLY 33 -2.331 11.319 9.157 274 H LYS 34 H LYS 34 -0.937 10.992 6.074 275 HA LYS 34 HA LYS 34 -3.358 12.026 4.818 276 HB2 LYS 34 2HB LYS 34 -1.965 12.617 2.960 277 HB3 LYS 34 3HB LYS 34 -1.090 13.043 4.426 278 HG2 LYS 34 2HG LYS 34 0.286 11.061 4.226 279 HG3 LYS 34 3HG LYS 34 -0.644 10.524 2.829 280 HD2 LYS 34 2HD LYS 34 0.080 12.606 1.644 281 HD3 LYS 34 3HD LYS 34 1.133 12.957 3.018 282 HE2 LYS 34 2HE LYS 34 2.315 10.846 2.658 283 HE3 LYS 34 3HE LYS 34 1.256 10.474 1.297 284 HZ1 LYS 34 3HZ LYS 34 2.099 12.482 0.192 285 HZ2 LYS 34 1HZ LYS 34 3.324 11.360 0.509 286 HZ3 LYS 34 2HZ LYS 34 3.169 12.734 1.480 287 H VAL 35 H VAL 35 -4.105 11.187 2.724 288 HA VAL 35 HA VAL 35 -3.553 8.303 2.352 289 HB VAL 35 HB VAL 35 -5.999 9.861 1.457 290 HG11 VAL 35 1HG1 VAL 35 -6.915 7.661 0.827 291 HG12 VAL 35 2HG1 VAL 35 -5.375 6.905 1.235 292 HG13 VAL 35 3HG1 VAL 35 -5.466 8.054 -0.100 293 HG21 VAL 35 3HG2 VAL 35 -7.204 8.522 3.136 294 HG22 VAL 35 1HG2 VAL 35 -5.962 9.535 3.875 295 HG23 VAL 35 2HG2 VAL 35 -5.677 7.808 3.657 296 H GLU 36 H GLU 36 -2.237 7.889 0.700 297 HA GLU 36 HA GLU 36 -2.326 9.605 -1.704 298 HB2 GLU 36 2HB GLU 36 -0.318 10.129 -0.406 299 HB3 GLU 36 3HB GLU 36 0.123 8.429 -0.360 300 HG2 GLU 36 2HG GLU 36 1.479 9.569 -1.981 301 HG3 GLU 36 3HG GLU 36 0.398 8.450 -2.807 302 H ILE 37 H ILE 37 -2.150 8.547 -3.696 303 HA ILE 37 HA ILE 37 -2.656 5.658 -3.573 304 HB ILE 37 HB ILE 37 -2.929 7.517 -5.950 305 HG12 ILE 37 2HG1 ILE 37 -5.050 6.469 -4.046 306 HG13 ILE 37 3HG1 ILE 37 -4.471 8.131 -4.118 307 HG21 ILE 37 1HG2 ILE 37 -3.926 4.693 -5.513 308 HG22 ILE 37 2HG2 ILE 37 -2.607 5.174 -6.577 309 HG23 ILE 37 3HG2 ILE 37 -4.253 5.693 -6.928 310 HD11 ILE 37 3HD1 ILE 37 -5.345 8.315 -6.404 311 HD12 ILE 37 1HD1 ILE 37 -6.601 7.924 -5.230 312 HD13 ILE 37 2HD1 ILE 37 -5.962 6.667 -6.286 313 H ALA 38 H ALA 38 -1.070 4.243 -3.974 314 HA ALA 38 HA ALA 38 1.304 5.120 -5.491 315 HB1 ALA 38 3HB ALA 38 2.529 3.378 -4.325 316 HB2 ALA 38 1HB ALA 38 1.043 2.824 -3.548 317 HB3 ALA 38 2HB ALA 38 1.698 4.418 -3.168 318 H GLU 39 H GLU 39 2.373 3.535 -6.880 319 HA GLU 39 HA GLU 39 0.472 1.734 -8.236 320 HB2 GLU 39 2HB GLU 39 3.180 2.691 -9.198 321 HB3 GLU 39 3HB GLU 39 1.975 1.826 -10.142 322 HG2 GLU 39 2HG GLU 39 0.471 3.723 -10.019 323 HG3 GLU 39 3HG GLU 39 1.611 4.587 -8.988 324 H ILE 40 H ILE 40 0.684 -0.438 -7.989 325 HA ILE 40 HA ILE 40 2.759 -1.456 -6.267 326 HB ILE 40 HB ILE 40 0.546 -2.932 -7.707 327 HG12 ILE 40 2HG1 ILE 40 0.729 -1.961 -4.838 328 HG13 ILE 40 3HG1 ILE 40 -0.258 -1.225 -6.096 329 HG21 ILE 40 1HG2 ILE 40 0.966 -4.744 -6.101 330 HG22 ILE 40 2HG2 ILE 40 2.337 -3.848 -5.448 331 HG23 ILE 40 3HG2 ILE 40 2.378 -4.434 -7.112 332 HD11 ILE 40 3HD1 ILE 40 -1.562 -3.303 -6.254 333 HD12 ILE 40 1HD1 ILE 40 -1.615 -2.588 -4.643 334 HD13 ILE 40 2HD1 ILE 40 -0.591 -3.993 -4.953 335 H ARG 41 H ARG 41 4.730 -1.868 -7.024 336 HA ARG 41 HA ARG 41 5.225 -2.801 -9.716 337 HB2 ARG 41 2HB ARG 41 7.208 -2.565 -7.448 338 HB3 ARG 41 3HB ARG 41 7.556 -2.618 -9.171 339 HG2 ARG 41 2HG ARG 41 6.388 -0.443 -9.434 340 HG3 ARG 41 3HG ARG 41 6.164 -0.389 -7.684 341 HD2 ARG 41 2HD ARG 41 8.069 0.934 -8.125 342 HD3 ARG 41 3HD ARG 41 8.689 -0.590 -7.491 343 HE ARG 41 HE ARG 41 8.733 0.226 -10.324 344 HH11 ARG 41 1HH1 ARG 41 9.939 -1.750 -7.760 345 HH12 ARG 41 2HH1 ARG 41 11.297 -2.295 -8.679 346 HH21 ARG 41 1HH2 ARG 41 10.466 -0.515 -11.495 347 HH22 ARG 41 2HH2 ARG 41 11.583 -1.618 -10.763 348 H ASN 42 H ASN 42 5.835 -4.141 -6.445 349 HA ASN 42 HA ASN 42 5.656 -6.860 -7.606 350 HB2 ASN 42 2HB ASN 42 7.499 -5.798 -5.478 351 HB3 ASN 42 3HB ASN 42 7.061 -7.502 -5.497 352 HD21 ASN 42 1HD2 ASN 42 8.964 -5.050 -6.937 353 HD22 ASN 42 2HD2 ASN 42 9.793 -6.074 -8.055 354 H VAL 43 H VAL 43 4.646 -8.482 -6.367 355 HA VAL 43 HA VAL 43 3.148 -7.569 -3.992 356 HB VAL 43 HB VAL 43 1.536 -7.845 -5.754 357 HG11 VAL 43 1HG1 VAL 43 2.633 -10.624 -6.182 358 HG12 VAL 43 2HG1 VAL 43 2.825 -9.248 -7.271 359 HG13 VAL 43 3HG1 VAL 43 1.224 -9.931 -6.989 360 HG21 VAL 43 3HG2 VAL 43 0.842 -8.615 -3.545 361 HG22 VAL 43 1HG2 VAL 43 1.426 -10.238 -3.913 362 HG23 VAL 43 2HG2 VAL 43 0.066 -9.562 -4.812 363 H VAL 44 H VAL 44 4.866 -8.327 -2.671 364 HA VAL 44 HA VAL 44 4.659 -10.882 -1.593 365 HB VAL 44 HB VAL 44 5.589 -11.621 -3.795 366 HG11 VAL 44 1HG1 VAL 44 8.083 -10.157 -2.928 367 HG12 VAL 44 2HG1 VAL 44 7.028 -9.711 -4.271 368 HG13 VAL 44 3HG1 VAL 44 7.936 -11.223 -4.328 369 HG21 VAL 44 3HG2 VAL 44 7.307 -13.118 -2.852 370 HG22 VAL 44 1HG2 VAL 44 5.877 -13.015 -1.826 371 HG23 VAL 44 2HG2 VAL 44 7.342 -12.137 -1.386 372 H GLU 45 H GLU 45 5.804 -11.003 0.319 373 HA GLU 45 HA GLU 45 7.556 -8.808 1.047 374 HB2 GLU 45 2HB GLU 45 6.987 -11.294 2.681 375 HB3 GLU 45 3HB GLU 45 7.614 -9.759 3.259 376 HG2 GLU 45 2HG GLU 45 5.412 -9.723 3.959 377 HG3 GLU 45 3HG GLU 45 5.367 -8.783 2.468 378 H ASN 46 H ASN 46 9.787 -8.911 1.289 379 HA ASN 46 HA ASN 46 11.191 -11.097 0.076 380 HB2 ASN 46 2HB ASN 46 12.182 -8.698 1.629 381 HB3 ASN 46 3HB ASN 46 13.244 -9.874 0.858 382 HD21 ASN 46 1HD2 ASN 46 14.124 -8.377 -0.529 383 HD22 ASN 46 2HD2 ASN 46 13.244 -7.682 -1.840 384 H THR 47 H THR 47 10.708 -12.955 1.239 385 HA THR 47 HA THR 47 12.199 -13.402 3.669 386 HB THR 47 HB THR 47 10.213 -12.384 4.639 387 HG1 THR 47 HG1 THR 47 10.033 -13.876 6.168 388 HG21 THR 47 3HG2 THR 47 8.639 -14.554 3.236 389 HG22 THR 47 1HG2 THR 47 8.597 -12.831 2.855 390 HG23 THR 47 2HG2 THR 47 7.991 -13.407 4.408 391 H ALA 48 H ALA 48 12.621 -15.565 4.026 392 HA ALA 48 HA ALA 48 12.207 -17.309 1.785 393 HB1 ALA 48 3HB ALA 48 14.323 -17.260 2.999 394 HB2 ALA 48 1HB ALA 48 13.620 -18.876 2.997 395 HB3 ALA 48 2HB ALA 48 13.518 -17.870 4.441 396 H ASN 49 H ASN 49 10.376 -18.372 1.479 397 HA ASN 49 HA ASN 49 8.464 -19.562 1.783 398 HB2 ASN 49 2HB ASN 49 9.940 -20.760 4.140 399 HB3 ASN 49 3HB ASN 49 8.566 -21.469 3.297 400 HD21 ASN 49 1HD2 ASN 49 11.955 -20.838 3.212 401 HD22 ASN 49 2HD2 ASN 49 12.309 -21.802 1.824 402 HA PRO 50 HA PRO 50 6.724 -16.974 5.243 403 HB2 PRO 50 2HB PRO 50 4.875 -15.658 3.748 404 HB3 PRO 50 3HB PRO 50 6.531 -15.079 3.944 405 HG2 PRO 50 2HG PRO 50 5.303 -16.568 1.657 406 HG3 PRO 50 3HG PRO 50 6.447 -15.215 1.626 407 HD2 PRO 50 2HD PRO 50 7.188 -17.824 1.255 408 HD3 PRO 50 3HD PRO 50 8.270 -16.587 1.930 409 H HIS 51 H HIS 51 4.854 -18.263 2.484 410 HA HIS 51 HA HIS 51 3.425 -20.134 4.131 411 HB2 HIS 51 2HB HIS 51 1.149 -19.221 3.546 412 HB3 HIS 51 3HB HIS 51 2.057 -18.232 4.681 413 HD1 HIS 51 HD1 HIS 51 0.736 -18.240 1.173 414 HD2 HIS 51 HD2 HIS 51 2.749 -15.684 3.761 415 HE1 HIS 51 HE1 HIS 51 0.690 -15.988 0.069 416 HE2 HIS 51 HE2 HIS 51 1.978 -14.476 1.606 417 H PHE 52 H PHE 52 2.223 -21.671 2.860 418 HA PHE 52 HA PHE 52 3.433 -22.214 0.365 419 HB2 PHE 52 2HB PHE 52 1.039 -23.443 1.741 420 HB3 PHE 52 3HB PHE 52 1.686 -24.048 0.217 421 HD1 PHE 52 HD1 PHE 52 2.521 -23.457 3.784 422 HD2 PHE 52 HD2 PHE 52 3.571 -25.460 0.171 423 HE1 PHE 52 HE1 PHE 52 4.153 -24.819 5.016 424 HE2 PHE 52 HE2 PHE 52 5.201 -26.828 1.404 425 HZ PHE 52 HZ PHE 52 5.494 -26.509 3.828 426 H VAL 53 H VAL 53 3.137 -20.782 -1.214 427 HA VAL 53 HA VAL 53 0.457 -20.521 -2.371 428 HB VAL 53 HB VAL 53 0.804 -18.504 -0.977 429 HG11 VAL 53 1HG1 VAL 53 3.180 -17.979 -2.770 430 HG12 VAL 53 2HG1 VAL 53 3.236 -18.379 -1.052 431 HG13 VAL 53 3HG1 VAL 53 2.520 -16.857 -1.578 432 HG21 VAL 53 3HG2 VAL 53 0.848 -17.975 -3.954 433 HG22 VAL 53 1HG2 VAL 53 0.340 -16.821 -2.720 434 HG23 VAL 53 2HG2 VAL 53 -0.576 -18.308 -2.967 435 H ARG 54 H ARG 54 0.458 -20.244 -4.627 436 HA ARG 54 HA ARG 54 3.099 -20.357 -5.948 437 HB2 ARG 54 2HB ARG 54 2.098 -21.864 -7.644 438 HB3 ARG 54 3HB ARG 54 2.128 -22.565 -6.033 439 HG2 ARG 54 2HG ARG 54 -0.243 -22.049 -5.748 440 HG3 ARG 54 3HG ARG 54 -0.283 -21.321 -7.355 441 HD2 ARG 54 2HD ARG 54 -1.177 -23.584 -7.417 442 HD3 ARG 54 3HD ARG 54 0.315 -23.482 -8.348 443 HE ARG 54 HE ARG 54 1.117 -24.323 -5.876 444 HH11 ARG 54 1HH1 ARG 54 -1.110 -25.470 -8.252 445 HH12 ARG 54 2HH1 ARG 54 -0.947 -27.118 -7.755 446 HH21 ARG 54 1HH2 ARG 54 1.337 -26.463 -5.281 447 HH22 ARG 54 2HH2 ARG 54 0.413 -27.671 -6.111 448 H ARG 55 H ARG 55 -0.067 -18.970 -5.899 449 HA ARG 55 HA ARG 55 0.419 -17.580 -8.460 450 HB2 ARG 55 2HB ARG 55 -1.674 -18.900 -8.300 451 HB3 ARG 55 3HB ARG 55 -2.171 -17.928 -6.923 452 HG2 ARG 55 2HG ARG 55 -2.198 -15.930 -8.362 453 HG3 ARG 55 3HG ARG 55 -1.744 -16.933 -9.740 454 HD2 ARG 55 2HD ARG 55 -3.812 -18.236 -9.461 455 HD3 ARG 55 3HD ARG 55 -4.265 -17.214 -8.096 456 HE ARG 55 HE ARG 55 -3.775 -15.818 -10.583 457 HH11 ARG 55 1HH1 ARG 55 -6.155 -17.333 -8.591 458 HH12 ARG 55 2HH1 ARG 55 -7.455 -16.425 -9.276 459 HH21 ARG 55 1HH2 ARG 55 -5.455 -14.694 -11.469 460 HH22 ARG 55 2HH2 ARG 55 -7.068 -14.967 -10.899 461 H ASN 56 H ASN 56 0.175 -15.299 -8.583 462 HA ASN 56 HA ASN 56 0.888 -13.856 -6.203 463 HB2 ASN 56 2HB ASN 56 0.122 -12.787 -8.933 464 HB3 ASN 56 3HB ASN 56 0.908 -11.878 -7.646 465 HD21 ASN 56 1HD2 ASN 56 1.307 -14.291 -10.103 466 HD22 ASN 56 2HD2 ASN 56 3.031 -14.361 -10.022 467 H ILE 57 H ILE 57 -0.596 -13.490 -4.665 468 HA ILE 57 HA ILE 57 -3.206 -12.396 -5.491 469 HB ILE 57 HB ILE 57 -3.640 -14.693 -4.928 470 HG12 ILE 57 2HG1 ILE 57 -5.207 -14.431 -3.012 471 HG13 ILE 57 3HG1 ILE 57 -4.477 -12.872 -2.649 472 HG21 ILE 57 1HG2 ILE 57 -3.090 -15.677 -2.756 473 HG22 ILE 57 2HG2 ILE 57 -2.263 -14.190 -2.290 474 HG23 ILE 57 3HG2 ILE 57 -1.640 -15.166 -3.621 475 HD11 ILE 57 3HD1 ILE 57 -5.228 -12.014 -4.803 476 HD12 ILE 57 1HD1 ILE 57 -6.578 -12.629 -3.847 477 HD13 ILE 57 2HD1 ILE 57 -5.937 -13.584 -5.185 478 H ILE 58 H ILE 58 -3.290 -10.373 -4.774 479 HA ILE 58 HA ILE 58 -1.880 -9.378 -2.505 480 HB ILE 58 HB ILE 58 -4.226 -8.137 -3.974 481 HG12 ILE 58 2HG1 ILE 58 -1.249 -7.745 -4.416 482 HG13 ILE 58 3HG1 ILE 58 -2.319 -8.658 -5.471 483 HG21 ILE 58 1HG2 ILE 58 -2.142 -6.870 -2.192 484 HG22 ILE 58 2HG2 ILE 58 -3.844 -7.110 -1.797 485 HG23 ILE 58 3HG2 ILE 58 -3.389 -6.007 -3.093 486 HD11 ILE 58 3HD1 ILE 58 -2.467 -5.703 -4.913 487 HD12 ILE 58 1HD1 ILE 58 -3.579 -6.607 -5.943 488 HD13 ILE 58 2HD1 ILE 58 -1.876 -6.468 -6.385 489 H THR 59 H THR 59 -2.457 -10.576 -0.670 490 HA THR 59 HA THR 59 -5.315 -10.623 0.063 491 HB THR 59 HB THR 59 -4.296 -12.843 -0.078 492 HG1 THR 59 HG1 THR 59 -4.555 -13.110 2.509 493 HG21 THR 59 3HG2 THR 59 -2.434 -11.866 2.099 494 HG22 THR 59 1HG2 THR 59 -1.978 -12.286 0.448 495 HG23 THR 59 2HG2 THR 59 -2.566 -13.534 1.545 496 H ARG 60 H ARG 60 -5.832 -10.521 2.370 497 HA ARG 60 HA ARG 60 -5.048 -8.140 3.582 498 HB2 ARG 60 2HB ARG 60 -7.162 -9.300 4.021 499 HB3 ARG 60 3HB ARG 60 -6.296 -10.609 4.809 500 HG2 ARG 60 2HG ARG 60 -5.514 -8.958 6.520 501 HG3 ARG 60 3HG ARG 60 -6.580 -7.767 5.768 502 HD2 ARG 60 2HD ARG 60 -7.693 -8.787 7.671 503 HD3 ARG 60 3HD ARG 60 -8.503 -9.259 6.176 504 HE ARG 60 HE ARG 60 -6.667 -11.001 7.700 505 HH11 ARG 60 1HH1 ARG 60 -9.332 -10.605 5.540 506 HH12 ARG 60 2HH1 ARG 60 -9.756 -12.281 5.589 507 HH21 ARG 60 1HH2 ARG 60 -7.219 -13.150 7.724 508 HH22 ARG 60 2HH2 ARG 60 -8.571 -13.701 6.797 509 H GLY 61 H GLY 61 -3.140 -7.626 4.475 510 HA2 GLY 61 2HA GLY 61 -1.632 -7.853 6.329 511 HA3 GLY 61 3HA GLY 61 -1.826 -9.593 6.244 512 H ALA 62 H ALA 62 -1.493 -9.023 3.125 513 HA ALA 62 HA ALA 62 1.294 -9.713 3.066 514 HB1 ALA 62 3HB ALA 62 -0.561 -8.999 0.789 515 HB2 ALA 62 1HB ALA 62 -0.284 -10.619 1.429 516 HB3 ALA 62 2HB ALA 62 1.029 -9.749 0.636 517 H VAL 63 H VAL 63 2.945 -8.521 1.816 518 HA VAL 63 HA VAL 63 2.538 -5.591 1.964 519 HB VAL 63 HB VAL 63 5.132 -7.099 2.399 520 HG11 VAL 63 1HG1 VAL 63 4.540 -4.136 2.549 521 HG12 VAL 63 2HG1 VAL 63 5.516 -4.942 1.320 522 HG13 VAL 63 3HG1 VAL 63 6.066 -4.900 2.994 523 HG21 VAL 63 3HG2 VAL 63 3.391 -5.582 4.355 524 HG22 VAL 63 1HG2 VAL 63 4.968 -6.290 4.716 525 HG23 VAL 63 2HG2 VAL 63 3.608 -7.332 4.295 526 H VAL 64 H VAL 64 2.689 -4.532 0.097 527 HA VAL 64 HA VAL 64 3.938 -5.891 -2.208 528 HB VAL 64 HB VAL 64 2.544 -4.453 -3.643 529 HG11 VAL 64 1HG1 VAL 64 1.696 -6.647 -3.010 530 HG12 VAL 64 2HG1 VAL 64 0.370 -5.496 -3.143 531 HG13 VAL 64 3HG1 VAL 64 0.969 -5.971 -1.554 532 HG21 VAL 64 3HG2 VAL 64 2.330 -2.509 -2.178 533 HG22 VAL 64 1HG2 VAL 64 1.350 -3.448 -1.049 534 HG23 VAL 64 2HG2 VAL 64 0.738 -3.092 -2.669 535 H GLU 65 H GLU 65 5.382 -4.801 -3.549 536 HA GLU 65 HA GLU 65 6.678 -2.434 -2.446 537 HB2 GLU 65 2HB GLU 65 8.096 -4.224 -3.341 538 HB3 GLU 65 3HB GLU 65 7.306 -4.094 -4.906 539 HG2 GLU 65 2HG GLU 65 8.143 -1.687 -4.960 540 HG3 GLU 65 3HG GLU 65 9.163 -2.123 -3.591 541 H THR 66 H THR 66 6.254 -0.400 -3.116 542 HA THR 66 HA THR 66 4.905 -0.002 -5.719 543 HB THR 66 HB THR 66 3.487 1.721 -4.805 544 HG1 THR 66 HG1 THR 66 4.570 1.182 -2.225 545 HG21 THR 66 3HG2 THR 66 2.604 -0.545 -4.594 546 HG22 THR 66 1HG2 THR 66 2.088 0.444 -3.229 547 HG23 THR 66 2HG2 THR 66 3.394 -0.725 -3.028 548 H ASN 67 H ASN 67 4.918 2.463 -6.263 549 HA ASN 67 HA ASN 67 7.578 3.358 -6.502 550 HB2 ASN 67 2HB ASN 67 6.589 5.477 -7.330 551 HB3 ASN 67 3HB ASN 67 5.866 4.060 -8.081 552 HD21 ASN 67 1HD2 ASN 67 4.816 6.788 -7.738 553 HD22 ASN 67 2HD2 ASN 67 3.317 6.603 -6.904 554 H LEU 68 H LEU 68 5.326 3.702 -3.919 555 HA LEU 68 HA LEU 68 6.861 5.889 -2.684 556 HB2 LEU 68 2HB LEU 68 4.253 4.644 -1.799 557 HB3 LEU 68 3HB LEU 68 5.003 6.074 -1.116 558 HG LEU 68 HG LEU 68 3.875 5.832 -3.914 559 HD11 LEU 68 1HD1 LEU 68 2.175 7.395 -3.131 560 HD12 LEU 68 2HD1 LEU 68 2.880 7.368 -1.513 561 HD13 LEU 68 3HD1 LEU 68 2.153 5.907 -2.185 562 HD21 LEU 68 3HD2 LEU 68 4.306 8.233 -4.100 563 HD22 LEU 68 1HD2 LEU 68 5.805 7.338 -3.857 564 HD23 LEU 68 2HD2 LEU 68 5.081 8.227 -2.517 565 H GLY 69 H GLY 69 7.289 2.725 -2.818 566 HA2 GLY 69 2HA GLY 69 8.882 1.656 -1.355 567 HA3 GLY 69 3HA GLY 69 8.173 2.526 -0.004 568 H ASN 70 H ASN 70 7.934 0.522 1.146 569 HA ASN 70 HA ASN 70 6.290 -1.575 0.025 570 HB2 ASN 70 2HB ASN 70 7.336 -1.243 2.848 571 HB3 ASN 70 3HB ASN 70 6.590 -2.697 2.193 572 HD21 ASN 70 1HD2 ASN 70 7.728 -3.886 0.600 573 HD22 ASN 70 2HD2 ASN 70 9.440 -3.734 0.437 574 H VAL 71 H VAL 71 4.175 -2.011 0.421 575 HA VAL 71 HA VAL 71 2.723 -0.272 2.320 576 HB VAL 71 HB VAL 71 1.721 -1.211 -0.381 577 HG11 VAL 71 1HG1 VAL 71 0.388 0.515 1.711 578 HG12 VAL 71 2HG1 VAL 71 -0.082 -1.123 1.244 579 HG13 VAL 71 3HG1 VAL 71 -0.242 0.204 0.090 580 HG21 VAL 71 3HG2 VAL 71 3.375 0.578 -0.587 581 HG22 VAL 71 1HG2 VAL 71 2.465 1.565 0.559 582 HG23 VAL 71 2HG2 VAL 71 1.764 1.158 -1.008 583 H ARG 72 H ARG 72 1.468 -1.311 3.767 584 HA ARG 72 HA ARG 72 1.274 -4.223 3.631 585 HB2 ARG 72 2HB ARG 72 2.040 -3.015 5.696 586 HB3 ARG 72 3HB ARG 72 0.418 -2.360 5.859 587 HG2 ARG 72 2HG ARG 72 -0.475 -4.626 6.125 588 HG3 ARG 72 3HG ARG 72 1.149 -5.292 5.922 589 HD2 ARG 72 2HD ARG 72 0.243 -3.445 8.138 590 HD3 ARG 72 3HD ARG 72 0.538 -5.176 8.288 591 HE ARG 72 HE ARG 72 2.912 -4.609 7.657 592 HH11 ARG 72 1HH1 ARG 72 0.878 -2.304 9.241 593 HH12 ARG 72 2HH1 ARG 72 2.210 -1.471 9.963 594 HH21 ARG 72 1HH2 ARG 72 4.596 -3.554 8.601 595 HH22 ARG 72 2HH2 ARG 72 4.299 -2.176 9.605 596 H VAL 73 H VAL 73 -0.463 -5.131 2.727 597 HA VAL 73 HA VAL 73 -2.688 -3.629 1.828 598 HB VAL 73 HB VAL 73 -2.392 -6.637 1.963 599 HG11 VAL 73 1HG1 VAL 73 -4.213 -4.925 0.257 600 HG12 VAL 73 2HG1 VAL 73 -4.716 -5.933 1.612 601 HG13 VAL 73 3HG1 VAL 73 -4.052 -6.681 0.159 602 HG21 VAL 73 3HG2 VAL 73 -1.613 -6.465 -0.359 603 HG22 VAL 73 1HG2 VAL 73 -0.549 -5.592 0.745 604 HG23 VAL 73 2HG2 VAL 73 -1.698 -4.706 -0.259 605 H THR 74 H THR 74 -4.637 -3.237 2.671 606 HA THR 74 HA THR 74 -5.392 -4.561 5.205 607 HB THR 74 HB THR 74 -6.849 -2.626 5.638 608 HG1 THR 74 HG1 THR 74 -7.149 -1.074 4.182 609 HG21 THR 74 3HG2 THR 74 -4.533 -2.561 6.461 610 HG22 THR 74 1HG2 THR 74 -5.109 -0.947 6.041 611 HG23 THR 74 2HG2 THR 74 -4.017 -1.804 4.951 612 H SER 75 H SER 75 -7.036 -3.069 2.391 613 HA SER 75 HA SER 75 -9.322 -4.855 2.769 614 HB2 SER 75 2HB SER 75 -8.919 -2.529 0.866 615 HB3 SER 75 3HB SER 75 -10.411 -3.456 1.021 616 HG SER 75 HG SER 75 -10.321 -1.467 2.266 617 H ARG 76 H ARG 76 -10.316 -5.948 0.911 618 HA ARG 76 HA ARG 76 -8.362 -7.497 -0.516 619 HB2 ARG 76 2HB ARG 76 -11.380 -7.536 -0.779 620 HB3 ARG 76 3HB ARG 76 -10.267 -8.774 -1.354 621 HG2 ARG 76 2HG ARG 76 -9.591 -9.228 0.968 622 HG3 ARG 76 3HG ARG 76 -10.739 -8.010 1.527 623 HD2 ARG 76 2HD ARG 76 -12.550 -9.363 0.400 624 HD3 ARG 76 3HD ARG 76 -11.344 -10.630 0.158 625 HE ARG 76 HE ARG 76 -11.344 -9.905 2.863 626 HH11 ARG 76 1HH1 ARG 76 -13.307 -11.570 0.576 627 HH12 ARG 76 2HH1 ARG 76 -14.194 -12.411 1.795 628 HH21 ARG 76 1HH2 ARG 76 -12.453 -11.016 4.407 629 HH22 ARG 76 2HH2 ARG 76 -13.703 -12.116 3.940 630 HA PRO 77 HA PRO 77 -8.162 -4.951 -4.139 631 HB2 PRO 77 2HB PRO 77 -6.973 -6.679 -5.842 632 HB3 PRO 77 3HB PRO 77 -6.115 -5.979 -4.461 633 HG2 PRO 77 2HG PRO 77 -7.433 -8.670 -4.697 634 HG3 PRO 77 3HG PRO 77 -5.828 -8.270 -4.056 635 HD2 PRO 77 2HD PRO 77 -7.957 -8.690 -2.443 636 HD3 PRO 77 3HD PRO 77 -6.679 -7.526 -2.036 637 H GLY 78 H GLY 78 -9.508 -4.431 -5.782 638 HA2 GLY 78 2HA GLY 78 -10.595 -5.094 -7.858 639 HA3 GLY 78 3HA GLY 78 -11.060 -6.596 -7.075 640 H GLN 79 H GLN 79 -11.882 -5.242 -4.592 641 HA GLN 79 HA GLN 79 -14.600 -4.831 -5.151 642 HB2 GLN 79 2HB GLN 79 -13.018 -3.822 -2.770 643 HB3 GLN 79 3HB GLN 79 -14.767 -3.984 -2.848 644 HG2 GLN 79 2HG GLN 79 -12.758 -6.230 -2.965 645 HG3 GLN 79 3HG GLN 79 -13.784 -5.814 -1.596 646 HE21 GLN 79 1HE2 GLN 79 -16.001 -6.253 -1.720 647 HE22 GLN 79 2HE2 GLN 79 -16.642 -7.369 -2.872 648 H ASP 80 H ASP 80 -15.588 -3.174 -6.137 649 HA ASP 80 HA ASP 80 -16.071 -1.118 -6.985 650 HB2 ASP 80 2HB ASP 80 -14.491 -0.258 -4.558 651 HB3 ASP 80 3HB ASP 80 -15.289 0.888 -5.628 652 H GLY 81 H GLY 81 -13.288 -2.492 -7.473 653 HA2 GLY 81 2HA GLY 81 -11.541 -2.119 -8.923 654 HA3 GLY 81 3HA GLY 81 -12.321 -0.618 -9.388 655 H VAL 82 H VAL 82 -11.417 -1.346 -6.067 656 HA VAL 82 HA VAL 82 -9.073 0.416 -6.289 657 HB VAL 82 HB VAL 82 -10.967 1.813 -5.551 658 HG11 VAL 82 1HG1 VAL 82 -11.099 -0.036 -3.166 659 HG12 VAL 82 2HG1 VAL 82 -12.313 0.120 -4.440 660 HG13 VAL 82 3HG1 VAL 82 -11.995 1.475 -3.355 661 HG21 VAL 82 3HG2 VAL 82 -9.911 2.796 -3.579 662 HG22 VAL 82 1HG2 VAL 82 -8.707 2.365 -4.793 663 HG23 VAL 82 2HG2 VAL 82 -8.929 1.347 -3.370 664 H ILE 83 H ILE 83 -7.461 0.099 -4.720 665 HA ILE 83 HA ILE 83 -7.778 -2.224 -2.915 666 HB ILE 83 HB ILE 83 -5.179 -1.369 -4.226 667 HG12 ILE 83 2HG1 ILE 83 -7.003 -3.677 -4.982 668 HG13 ILE 83 3HG1 ILE 83 -6.768 -2.209 -5.926 669 HG21 ILE 83 1HG2 ILE 83 -4.897 -2.536 -2.099 670 HG22 ILE 83 2HG2 ILE 83 -4.359 -3.552 -3.433 671 HG23 ILE 83 3HG2 ILE 83 -5.918 -3.855 -2.667 672 HD11 ILE 83 3HD1 ILE 83 -5.498 -4.052 -6.848 673 HD12 ILE 83 1HD1 ILE 83 -4.664 -4.271 -5.309 674 HD13 ILE 83 2HD1 ILE 83 -4.417 -2.796 -6.246 675 H ASN 84 H ASN 84 -6.759 -2.005 -0.821 676 HA ASN 84 HA ASN 84 -5.880 0.746 -0.179 677 HB2 ASN 84 2HB ASN 84 -7.701 -0.964 1.528 678 HB3 ASN 84 3HB ASN 84 -7.134 0.657 1.917 679 HD21 ASN 84 1HD2 ASN 84 -7.930 2.415 0.704 680 HD22 ASN 84 2HD2 ASN 84 -9.400 2.288 -0.194 681 H GLY 85 H GLY 85 -4.317 0.997 1.422 682 HA2 GLY 85 2HA GLY 85 -3.399 -1.215 3.030 683 HA3 GLY 85 3HA GLY 85 -2.300 -0.836 1.715 684 H VAL 86 H VAL 86 -1.072 -0.587 3.971 685 HA VAL 86 HA VAL 86 -1.194 2.268 4.765 686 HB VAL 86 HB VAL 86 -0.035 0.019 6.429 687 HG11 VAL 86 1HG1 VAL 86 0.831 2.260 6.926 688 HG12 VAL 86 2HG1 VAL 86 -0.133 1.627 8.259 689 HG13 VAL 86 3HG1 VAL 86 -0.816 2.842 7.177 690 HG21 VAL 86 3HG2 VAL 86 -2.782 1.264 6.634 691 HG22 VAL 86 1HG2 VAL 86 -2.079 0.127 7.785 692 HG23 VAL 86 2HG2 VAL 86 -2.417 -0.387 6.132 693 H LEU 87 H LEU 87 0.711 3.462 4.815 694 HA LEU 87 HA LEU 87 2.859 2.533 3.138 695 HB2 LEU 87 2HB LEU 87 2.039 4.868 3.105 696 HB3 LEU 87 3HB LEU 87 2.615 5.085 4.745 697 HG LEU 87 HG LEU 87 4.940 4.694 3.956 698 HD11 LEU 87 1HD1 LEU 87 5.402 4.761 1.537 699 HD12 LEU 87 2HD1 LEU 87 3.671 4.676 1.214 700 HD13 LEU 87 3HD1 LEU 87 4.488 3.329 2.002 701 HD21 LEU 87 3HD2 LEU 87 4.077 6.971 4.189 702 HD22 LEU 87 1HD2 LEU 87 3.468 6.920 2.533 703 HD23 LEU 87 2HD2 LEU 87 5.204 6.857 2.837 704 H ILE 88 H ILE 88 4.488 1.276 3.860 705 HA ILE 88 HA ILE 88 5.651 1.841 6.513 706 HB ILE 88 HB ILE 88 5.958 -0.534 6.972 707 HG12 ILE 88 2HG1 ILE 88 4.435 -0.963 4.390 708 HG13 ILE 88 3HG1 ILE 88 6.115 -1.370 4.689 709 HG21 ILE 88 1HG2 ILE 88 3.644 -1.140 7.453 710 HG22 ILE 88 2HG2 ILE 88 3.071 0.094 6.329 711 HG23 ILE 88 3HG2 ILE 88 3.928 0.567 7.798 712 HD11 ILE 88 3HD1 ILE 88 3.755 -2.625 6.073 713 HD12 ILE 88 1HD1 ILE 88 5.451 -3.060 6.289 714 HD13 ILE 88 2HD1 ILE 88 4.661 -3.330 4.733 715 H ARG 89 H ARG 89 7.731 0.266 6.675 716 HA ARG 89 HA ARG 89 9.233 0.389 4.148 717 HB2 ARG 89 2HB ARG 89 10.252 1.385 6.823 718 HB3 ARG 89 3HB ARG 89 11.227 1.231 5.368 719 HG2 ARG 89 2HG ARG 89 8.849 3.057 5.709 720 HG3 ARG 89 3HG ARG 89 10.544 3.541 5.765 721 HD2 ARG 89 2HD ARG 89 10.806 2.746 3.429 722 HD3 ARG 89 3HD ARG 89 9.082 2.375 3.389 723 HE ARG 89 HE ARG 89 10.137 5.104 3.784 724 HH11 ARG 89 1HH1 ARG 89 7.831 2.939 2.432 725 HH12 ARG 89 2HH1 ARG 89 7.059 4.171 1.494 726 HH21 ARG 89 1HH2 ARG 89 9.123 6.685 2.615 727 HH22 ARG 89 2HH2 ARG 89 7.755 6.284 1.635 728 H GLU 90 H GLU 90 9.175 -1.845 3.902 729 HA GLU 90 HA GLU 90 10.352 -3.547 5.969 730 HB2 GLU 90 2HB GLU 90 9.328 -4.281 3.211 731 HB3 GLU 90 3HB GLU 90 9.797 -5.411 4.474 732 HG2 GLU 90 2HG GLU 90 7.498 -3.465 4.625 733 HG3 GLU 90 3HG GLU 90 7.370 -5.191 4.288 734 H LEU 91 H LEU 91 11.078 -2.266 2.788 735 HA LEU 91 HA LEU 91 13.788 -3.400 2.889 736 HB2 LEU 91 2HB LEU 91 12.368 -1.958 0.640 737 HB3 LEU 91 3HB LEU 91 13.953 -2.701 0.543 738 HG LEU 91 HG LEU 91 11.335 -4.163 0.957 739 HD11 LEU 91 1HD1 LEU 91 13.196 -4.040 -1.416 740 HD12 LEU 91 2HD1 LEU 91 11.591 -3.320 -1.306 741 HD13 LEU 91 3HD1 LEU 91 11.772 -5.073 -1.278 742 HD21 LEU 91 3HD2 LEU 91 13.176 -5.267 2.135 743 HD22 LEU 91 1HD2 LEU 91 14.141 -5.252 0.659 744 HD23 LEU 91 2HD2 LEU 91 12.662 -6.209 0.738 745 H GLU 92 H GLU 92 15.578 -2.098 3.065 746 HA GLU 92 HA GLU 92 15.106 0.566 4.093 747 HB2 GLU 92 2HB GLU 92 17.050 -1.383 4.540 748 HB3 GLU 92 3HB GLU 92 17.919 -0.128 3.669 749 HG2 GLU 92 2HG GLU 92 16.285 0.327 6.162 750 HG3 GLU 92 3HG GLU 92 18.030 0.097 6.130 751 H HIS 93 H HIS 93 15.539 2.495 3.096 752 HA HIS 93 HA HIS 93 15.544 2.381 0.234 753 HB2 HIS 93 2HB HIS 93 15.156 4.767 0.276 754 HB3 HIS 93 3HB HIS 93 14.140 3.988 1.478 755 HD1 HIS 93 HD1 HIS 93 15.338 4.099 4.043 756 HD2 HIS 93 HD2 HIS 93 16.381 6.962 1.215 757 HE1 HIS 93 HE1 HIS 93 16.266 6.026 5.349 758 HE2 HIS 93 HE2 HIS 93 16.924 7.734 3.617 759 H HIS 94 H HIS 94 17.657 1.364 0.017 760 HA HIS 94 HA HIS 94 20.063 2.809 0.596 761 HB2 HIS 94 2HB HIS 94 19.602 0.490 -1.297 762 HB3 HIS 94 3HB HIS 94 21.170 1.061 -0.741 763 HD1 HIS 94 HD1 HIS 94 18.380 -1.149 0.157 764 HD2 HIS 94 HD2 HIS 94 21.658 0.555 2.060 765 HE1 HIS 94 HE1 HIS 94 18.687 -2.459 2.273 766 HE2 HIS 94 HE2 HIS 94 20.728 -1.475 3.364 767 H HIS 95 H HIS 95 18.185 2.238 -2.361 768 HA HIS 95 HA HIS 95 19.909 3.853 -4.006 769 HB2 HIS 95 2HB HIS 95 18.693 1.922 -4.927 770 HB3 HIS 95 3HB HIS 95 17.159 2.714 -4.575 771 HD1 HIS 95 HD1 HIS 95 20.105 2.887 -6.892 772 HD2 HIS 95 HD2 HIS 95 16.370 4.647 -6.430 773 HE1 HIS 95 HE1 HIS 95 19.702 4.176 -9.006 774 HE2 HIS 95 HE2 HIS 95 17.521 5.363 -8.630 775 H HIS 96 H HIS 96 19.925 6.009 -3.869 776 HA HIS 96 HA HIS 96 17.622 7.510 -2.934 777 HB2 HIS 96 2HB HIS 96 20.399 8.329 -3.815 778 HB3 HIS 96 3HB HIS 96 19.164 9.497 -3.359 779 HD1 HIS 96 HD1 HIS 96 20.008 10.350 -1.172 780 HD2 HIS 96 HD2 HIS 96 20.088 6.200 -1.372 781 HE1 HIS 96 HE1 HIS 96 20.654 9.581 1.126 782 HE2 HIS 96 HE2 HIS 96 20.827 7.075 0.949 783 H HIS 97 H HIS 97 16.916 9.501 -4.185 784 HA HIS 97 HA HIS 97 16.397 8.693 -6.967 785 HB2 HIS 97 2HB HIS 97 14.545 10.291 -6.931 786 HB3 HIS 97 3HB HIS 97 14.428 9.186 -5.567 787 HD1 HIS 97 HD1 HIS 97 15.398 12.769 -6.346 788 HD2 HIS 97 HD2 HIS 97 14.324 10.399 -3.104 789 HE1 HIS 97 HE1 HIS 97 15.079 14.353 -4.430 790 HE2 HIS 97 HE2 HIS 97 14.280 12.919 -2.527 791 H HIS 98 H HIS 98 15.986 10.792 -8.416 792 HA HIS 98 HA HIS 98 18.500 12.192 -8.596 793 HB2 HIS 98 2HB HIS 98 17.365 11.531 -10.640 794 HB3 HIS 98 3HB HIS 98 15.929 12.441 -10.184 795 HD1 HIS 98 HD1 HIS 98 19.561 13.064 -11.102 796 HD2 HIS 98 HD2 HIS 98 15.886 15.005 -11.104 797 HE1 HIS 98 HE1 HIS 98 19.948 15.238 -12.292 798 HE2 HIS 98 HE2 HIS 98 17.681 16.317 -12.419 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -55.048 -6.440 -20.513 2 H2 GLY 1 2H GLY 1 -54.756 -6.799 -22.139 3 H3 GLY 1 3H GLY 1 -54.518 -5.229 -21.560 4 HA2 GLY 1 2HA GLY 1 -52.705 -5.947 -20.162 5 HA3 GLY 1 3HA GLY 1 -52.971 -7.604 -20.677 6 H ASP 2 H ASP 2 -52.997 -4.707 -22.739 7 HA ASP 2 HA ASP 2 -51.101 -5.913 -24.546 8 HB2 ASP 2 2HB ASP 2 -52.222 -3.099 -24.592 9 HB3 ASP 2 3HB ASP 2 -51.439 -3.941 -25.925 10 H ARG 3 H ARG 3 -49.032 -6.012 -23.831 11 HA ARG 3 HA ARG 3 -47.860 -3.608 -22.569 12 HB2 ARG 3 2HB ARG 3 -47.128 -6.522 -22.183 13 HB3 ARG 3 3HB ARG 3 -46.295 -5.164 -21.433 14 HG2 ARG 3 2HG ARG 3 -48.278 -4.573 -20.187 15 HG3 ARG 3 3HG ARG 3 -49.213 -5.816 -21.021 16 HD2 ARG 3 2HD ARG 3 -47.838 -7.560 -20.008 17 HD3 ARG 3 3HD ARG 3 -46.833 -6.336 -19.230 18 HE ARG 3 HE ARG 3 -48.619 -5.830 -17.766 19 HH11 ARG 3 1HH1 ARG 3 -49.315 -8.500 -19.828 20 HH12 ARG 3 2HH1 ARG 3 -50.664 -9.016 -18.881 21 HH21 ARG 3 1HH2 ARG 3 -50.316 -6.529 -16.541 22 HH22 ARG 3 2HH2 ARG 3 -51.216 -7.922 -17.032 23 H ARG 4 H ARG 4 -46.974 -2.586 -24.331 24 HA ARG 4 HA ARG 4 -45.222 -4.033 -26.153 25 HB2 ARG 4 2HB ARG 4 -46.796 -2.137 -26.823 26 HB3 ARG 4 3HB ARG 4 -45.684 -1.042 -26.023 27 HG2 ARG 4 2HG ARG 4 -44.834 -2.865 -28.270 28 HG3 ARG 4 3HG ARG 4 -45.490 -1.254 -28.545 29 HD2 ARG 4 2HD ARG 4 -43.643 -0.393 -27.024 30 HD3 ARG 4 3HD ARG 4 -42.937 -2.005 -27.128 31 HE ARG 4 HE ARG 4 -43.457 -0.941 -29.714 32 HH11 ARG 4 1HH1 ARG 4 -41.202 -0.869 -27.115 33 HH12 ARG 4 2HH1 ARG 4 -39.928 -0.240 -28.095 34 HH21 ARG 4 1HH2 ARG 4 -41.813 -0.144 -30.958 35 HH22 ARG 4 2HH2 ARG 4 -40.268 0.167 -30.250 36 H VAL 5 H VAL 5 -43.243 -4.556 -25.413 37 HA VAL 5 HA VAL 5 -41.929 -3.334 -23.241 38 HB VAL 5 HB VAL 5 -40.704 -4.988 -25.464 39 HG11 VAL 5 1HG1 VAL 5 -39.013 -3.790 -24.160 40 HG12 VAL 5 2HG1 VAL 5 -38.945 -5.524 -23.845 41 HG13 VAL 5 3HG1 VAL 5 -39.689 -4.442 -22.665 42 HG21 VAL 5 3HG2 VAL 5 -41.819 -5.877 -22.794 43 HG22 VAL 5 1HG2 VAL 5 -41.024 -6.908 -23.985 44 HG23 VAL 5 2HG2 VAL 5 -42.568 -6.150 -24.369 45 H ARG 6 H ARG 6 -41.020 -1.369 -23.153 46 HA ARG 6 HA ARG 6 -39.892 -0.200 -25.622 47 HB2 ARG 6 2HB ARG 6 -40.805 1.189 -23.087 48 HB3 ARG 6 3HB ARG 6 -40.151 1.988 -24.513 49 HG2 ARG 6 2HG ARG 6 -42.056 1.130 -25.839 50 HG3 ARG 6 3HG ARG 6 -42.722 0.412 -24.370 51 HD2 ARG 6 2HD ARG 6 -43.802 2.544 -24.861 52 HD3 ARG 6 3HD ARG 6 -42.888 2.639 -23.356 53 HE ARG 6 HE ARG 6 -41.100 3.605 -25.048 54 HH11 ARG 6 1HH1 ARG 6 -44.483 4.268 -24.915 55 HH12 ARG 6 2HH1 ARG 6 -44.285 5.890 -25.477 56 HH21 ARG 6 1HH2 ARG 6 -40.883 5.677 -25.785 57 HH22 ARG 6 2HH2 ARG 6 -42.285 6.673 -25.971 58 H LEU 7 H LEU 7 -39.283 -0.198 -22.092 59 HA LEU 7 HA LEU 7 -37.384 -0.362 -20.858 60 HB2 LEU 7 2HB LEU 7 -37.160 -2.418 -22.279 61 HB3 LEU 7 3HB LEU 7 -36.124 -1.503 -23.355 62 HG LEU 7 HG LEU 7 -34.522 -1.173 -21.478 63 HD11 LEU 7 1HD1 LEU 7 -36.372 -3.047 -20.004 64 HD12 LEU 7 2HD1 LEU 7 -36.049 -1.358 -19.607 65 HD13 LEU 7 3HD1 LEU 7 -34.767 -2.561 -19.462 66 HD21 LEU 7 3HD2 LEU 7 -34.176 -2.977 -23.080 67 HD22 LEU 7 1HD2 LEU 7 -35.196 -4.050 -22.118 68 HD23 LEU 7 2HD2 LEU 7 -33.661 -3.473 -21.467 69 H ILE 8 H ILE 8 -37.718 1.899 -23.083 70 HA ILE 8 HA ILE 8 -35.226 2.786 -23.910 71 HB ILE 8 HB ILE 8 -37.266 3.685 -24.843 72 HG12 ILE 8 2HG1 ILE 8 -36.727 6.118 -24.821 73 HG13 ILE 8 3HG1 ILE 8 -35.620 5.842 -23.479 74 HG21 ILE 8 1HG2 ILE 8 -38.684 5.276 -23.620 75 HG22 ILE 8 2HG2 ILE 8 -37.730 4.998 -22.162 76 HG23 ILE 8 3HG2 ILE 8 -38.672 3.683 -22.864 77 HD11 ILE 8 3HD1 ILE 8 -34.246 4.419 -24.897 78 HD12 ILE 8 1HD1 ILE 8 -34.447 6.022 -25.602 79 HD13 ILE 8 2HD1 ILE 8 -35.366 4.658 -26.238 80 H ARG 9 H ARG 9 -33.505 3.570 -22.885 81 HA ARG 9 HA ARG 9 -33.819 5.393 -20.642 82 HB2 ARG 9 2HB ARG 9 -32.241 4.204 -19.191 83 HB3 ARG 9 3HB ARG 9 -33.663 3.225 -19.521 84 HG2 ARG 9 2HG ARG 9 -32.363 1.975 -21.219 85 HG3 ARG 9 3HG ARG 9 -30.935 2.914 -20.775 86 HD2 ARG 9 2HD ARG 9 -31.186 2.078 -18.438 87 HD3 ARG 9 3HD ARG 9 -32.510 1.052 -18.989 88 HE ARG 9 HE ARG 9 -30.127 0.624 -20.496 89 HH11 ARG 9 1HH1 ARG 9 -31.741 -0.195 -17.557 90 HH12 ARG 9 2HH1 ARG 9 -30.812 -1.631 -17.319 91 HH21 ARG 9 1HH2 ARG 9 -28.964 -1.233 -20.186 92 HH22 ARG 9 2HH2 ARG 9 -29.269 -2.219 -18.799 93 H THR 10 H THR 10 -32.011 6.760 -20.298 94 HA THR 10 HA THR 10 -30.757 7.538 -22.694 95 HB THR 10 HB THR 10 -31.257 9.149 -20.920 96 HG1 THR 10 HG1 THR 10 -29.686 10.300 -21.736 97 HG21 THR 10 3HG2 THR 10 -28.989 7.837 -19.408 98 HG22 THR 10 1HG2 THR 10 -30.698 7.755 -18.975 99 HG23 THR 10 2HG2 THR 10 -29.846 9.298 -18.922 100 H ARG 11 H ARG 11 -28.372 8.015 -22.885 101 HA ARG 11 HA ARG 11 -26.961 5.481 -22.648 102 HB2 ARG 11 2HB ARG 11 -26.147 8.062 -24.001 103 HB3 ARG 11 3HB ARG 11 -25.291 6.532 -24.123 104 HG2 ARG 11 2HG ARG 11 -28.105 7.043 -25.091 105 HG3 ARG 11 3HG ARG 11 -26.661 6.981 -26.102 106 HD2 ARG 11 2HD ARG 11 -27.724 4.708 -24.421 107 HD3 ARG 11 3HD ARG 11 -27.928 4.875 -26.165 108 HE ARG 11 HE ARG 11 -25.218 4.987 -25.736 109 HH11 ARG 11 1HH1 ARG 11 -27.715 2.724 -25.043 110 HH12 ARG 11 2HH1 ARG 11 -26.670 1.354 -25.202 111 HH21 ARG 11 1HH2 ARG 11 -23.881 3.217 -25.929 112 HH22 ARG 11 2HH2 ARG 11 -24.528 1.630 -25.698 113 H GLY 12 H GLY 12 -25.289 5.050 -21.305 114 HA2 GLY 12 2HA GLY 12 -23.321 6.701 -20.360 115 HA3 GLY 12 3HA GLY 12 -24.628 6.912 -19.207 116 H GLY 13 H GLY 13 -21.920 5.724 -18.881 117 HA2 GLY 13 2HA GLY 13 -21.639 4.147 -17.006 118 HA3 GLY 13 3HA GLY 13 -22.773 3.087 -17.825 119 H ASN 14 H ASN 14 -19.759 4.805 -18.764 120 HA ASN 14 HA ASN 14 -18.880 2.834 -20.578 121 HB2 ASN 14 2HB ASN 14 -18.074 5.221 -20.437 122 HB3 ASN 14 3HB ASN 14 -17.079 4.724 -19.067 123 HD21 ASN 14 1HD2 ASN 14 -15.496 3.101 -19.424 124 HD22 ASN 14 2HD2 ASN 14 -14.818 2.870 -20.991 125 H THR 15 H THR 15 -18.125 0.847 -20.252 126 HA THR 15 HA THR 15 -17.804 -0.219 -17.635 127 HB THR 15 HB THR 15 -17.003 -1.511 -20.256 128 HG1 THR 15 HG1 THR 15 -19.134 -1.273 -20.515 129 HG21 THR 15 3HG2 THR 15 -16.065 -2.649 -18.301 130 HG22 THR 15 1HG2 THR 15 -17.336 -3.623 -19.041 131 HG23 THR 15 2HG2 THR 15 -17.667 -2.721 -17.561 132 H LYS 16 H LYS 16 -16.107 0.380 -16.409 133 HA LYS 16 HA LYS 16 -13.461 0.739 -17.579 134 HB2 LYS 16 2HB LYS 16 -12.792 1.583 -15.396 135 HB3 LYS 16 3HB LYS 16 -14.261 2.381 -15.938 136 HG2 LYS 16 2HG LYS 16 -15.595 1.010 -14.442 137 HG3 LYS 16 3HG LYS 16 -14.154 0.118 -13.942 138 HD2 LYS 16 2HD LYS 16 -13.188 2.212 -13.060 139 HD3 LYS 16 3HD LYS 16 -14.661 3.073 -13.519 140 HE2 LYS 16 2HE LYS 16 -14.530 0.770 -11.563 141 HE3 LYS 16 3HE LYS 16 -14.597 2.475 -11.120 142 HZ1 LYS 16 3HZ LYS 16 -16.749 2.634 -12.212 143 HZ2 LYS 16 1HZ LYS 16 -16.770 1.451 -11.005 144 HZ3 LYS 16 2HZ LYS 16 -16.685 1.000 -12.632 145 H VAL 17 H VAL 17 -11.577 -0.339 -16.841 146 HA VAL 17 HA VAL 17 -12.103 -3.128 -16.132 147 HB VAL 17 HB VAL 17 -10.759 -2.676 -18.151 148 HG11 VAL 17 1HG1 VAL 17 -8.751 -1.496 -16.228 149 HG12 VAL 17 2HG1 VAL 17 -9.651 -0.628 -17.470 150 HG13 VAL 17 3HG1 VAL 17 -8.452 -1.835 -17.933 151 HG21 VAL 17 3HG2 VAL 17 -8.940 -4.252 -17.684 152 HG22 VAL 17 1HG2 VAL 17 -10.453 -4.783 -16.948 153 HG23 VAL 17 2HG2 VAL 17 -9.200 -4.044 -15.952 154 H ARG 18 H ARG 18 -11.246 -4.143 -14.360 155 HA ARG 18 HA ARG 18 -10.375 -2.678 -12.111 156 HB2 ARG 18 2HB ARG 18 -10.021 -4.792 -11.018 157 HB3 ARG 18 3HB ARG 18 -11.476 -4.913 -11.993 158 HG2 ARG 18 2HG ARG 18 -8.786 -5.954 -12.886 159 HG3 ARG 18 3HG ARG 18 -9.975 -6.928 -12.022 160 HD2 ARG 18 2HD ARG 18 -11.597 -6.510 -13.846 161 HD3 ARG 18 3HD ARG 18 -10.352 -5.612 -14.715 162 HE ARG 18 HE ARG 18 -9.399 -8.190 -14.087 163 HH11 ARG 18 1HH1 ARG 18 -11.699 -6.652 -16.144 164 HH12 ARG 18 2HH1 ARG 18 -11.562 -7.849 -17.381 165 HH21 ARG 18 1HH2 ARG 18 -9.225 -9.718 -15.682 166 HH22 ARG 18 2HH2 ARG 18 -10.174 -9.576 -17.122 167 H LEU 19 H LEU 19 -8.229 -3.884 -10.981 168 HA LEU 19 HA LEU 19 -6.083 -2.427 -11.970 169 HB2 LEU 19 2HB LEU 19 -4.717 -3.495 -10.340 170 HB3 LEU 19 3HB LEU 19 -6.311 -3.269 -9.647 171 HG LEU 19 HG LEU 19 -5.429 -5.903 -10.841 172 HD11 LEU 19 1HD1 LEU 19 -5.222 -5.024 -7.963 173 HD12 LEU 19 2HD1 LEU 19 -3.876 -5.317 -9.064 174 HD13 LEU 19 3HD1 LEU 19 -4.920 -6.650 -8.577 175 HD21 LEU 19 3HD2 LEU 19 -7.227 -6.822 -9.437 176 HD22 LEU 19 1HD2 LEU 19 -7.840 -5.634 -10.588 177 HD23 LEU 19 2HD2 LEU 19 -7.632 -5.192 -8.893 178 H ALA 20 H ALA 20 -7.263 -5.136 -13.474 179 HA ALA 20 HA ALA 20 -5.054 -6.662 -14.190 180 HB1 ALA 20 3HB ALA 20 -6.367 -7.368 -16.125 181 HB2 ALA 20 1HB ALA 20 -7.483 -6.029 -15.864 182 HB3 ALA 20 2HB ALA 20 -7.357 -7.316 -14.667 183 H SER 21 H SER 21 -6.320 -3.713 -15.725 184 HA SER 21 HA SER 21 -4.050 -3.670 -17.586 185 HB2 SER 21 2HB SER 21 -6.475 -1.856 -17.443 186 HB3 SER 21 3HB SER 21 -5.241 -1.823 -18.699 187 HG SER 21 HG SER 21 -5.902 -3.837 -19.388 188 H ASP 22 H ASP 22 -5.412 -1.855 -14.891 189 HA ASP 22 HA ASP 22 -2.903 -0.323 -14.737 190 HB2 ASP 22 2HB ASP 22 -4.310 1.576 -13.789 191 HB3 ASP 22 3HB ASP 22 -4.476 1.271 -15.513 192 H THR 23 H THR 23 -1.944 -1.489 -13.155 193 HA THR 23 HA THR 23 -3.329 -2.435 -10.813 194 HB THR 23 HB THR 23 -0.332 -2.244 -11.217 195 HG1 THR 23 HG1 THR 23 -2.244 -4.036 -12.258 196 HG21 THR 23 3HG2 THR 23 -2.000 -4.121 -9.529 197 HG22 THR 23 1HG2 THR 23 -1.047 -2.763 -8.924 198 HG23 THR 23 2HG2 THR 23 -0.242 -4.137 -9.676 199 H ARG 24 H ARG 24 -3.892 -1.130 -9.149 200 HA ARG 24 HA ARG 24 -2.086 0.995 -8.282 201 HB2 ARG 24 2HB ARG 24 -3.570 1.883 -10.117 202 HB3 ARG 24 3HB ARG 24 -4.945 1.593 -9.064 203 HG2 ARG 24 2HG ARG 24 -4.166 3.216 -7.486 204 HG3 ARG 24 3HG ARG 24 -2.637 3.396 -8.353 205 HD2 ARG 24 2HD ARG 24 -5.385 4.138 -9.376 206 HD3 ARG 24 3HD ARG 24 -4.116 5.254 -8.869 207 HE ARG 24 HE ARG 24 -2.926 3.803 -10.831 208 HH11 ARG 24 1HH1 ARG 24 -5.871 5.570 -10.670 209 HH12 ARG 24 2HH1 ARG 24 -5.843 5.984 -12.348 210 HH21 ARG 24 1HH2 ARG 24 -2.903 4.313 -12.978 211 HH22 ARG 24 2HH2 ARG 24 -4.185 5.264 -13.649 212 H ILE 25 H ILE 25 -2.622 1.902 -6.211 213 HA ILE 25 HA ILE 25 -4.684 0.588 -4.624 214 HB ILE 25 HB ILE 25 -2.785 -0.944 -4.424 215 HG12 ILE 25 2HG1 ILE 25 -3.158 0.677 -1.887 216 HG13 ILE 25 3HG1 ILE 25 -4.246 -0.583 -2.453 217 HG21 ILE 25 1HG2 ILE 25 -0.978 0.608 -4.929 218 HG22 ILE 25 2HG2 ILE 25 -0.666 -0.228 -3.409 219 HG23 ILE 25 3HG2 ILE 25 -1.239 1.439 -3.395 220 HD11 ILE 25 3HD1 ILE 25 -2.808 -1.412 -0.699 221 HD12 ILE 25 1HD1 ILE 25 -1.377 -0.955 -1.622 222 HD13 ILE 25 2HD1 ILE 25 -2.443 -2.226 -2.221 223 H ASN 26 H ASN 26 -5.296 1.752 -2.792 224 HA ASN 26 HA ASN 26 -4.249 4.477 -2.562 225 HB2 ASN 26 2HB ASN 26 -6.678 3.181 -1.289 226 HB3 ASN 26 3HB ASN 26 -6.230 4.880 -1.133 227 HD21 ASN 26 1HD2 ASN 26 -7.385 2.421 -3.301 228 HD22 ASN 26 2HD2 ASN 26 -7.970 3.503 -4.516 229 H VAL 27 H VAL 27 -2.663 4.819 -1.172 230 HA VAL 27 HA VAL 27 -2.211 2.894 1.006 231 HB VAL 27 HB VAL 27 -0.281 4.919 -0.144 232 HG11 VAL 27 1HG1 VAL 27 1.441 3.547 0.933 233 HG12 VAL 27 2HG1 VAL 27 0.190 2.501 1.605 234 HG13 VAL 27 3HG1 VAL 27 0.296 4.189 2.110 235 HG21 VAL 27 3HG2 VAL 27 -0.961 3.342 -1.879 236 HG22 VAL 27 1HG2 VAL 27 -0.567 1.989 -0.819 237 HG23 VAL 27 2HG2 VAL 27 0.710 3.059 -1.394 238 H VAL 28 H VAL 28 -2.384 3.487 3.094 239 HA VAL 28 HA VAL 28 -2.842 6.307 3.751 240 HB VAL 28 HB VAL 28 -3.075 3.880 5.551 241 HG11 VAL 28 1HG1 VAL 28 -2.701 5.924 6.820 242 HG12 VAL 28 2HG1 VAL 28 -4.375 5.407 7.011 243 HG13 VAL 28 3HG1 VAL 28 -3.985 6.744 5.932 244 HG21 VAL 28 3HG2 VAL 28 -4.677 3.762 3.717 245 HG22 VAL 28 1HG2 VAL 28 -5.221 5.404 4.064 246 HG23 VAL 28 2HG2 VAL 28 -5.503 4.116 5.235 247 H ASP 29 H ASP 29 -1.247 7.531 4.454 248 HA ASP 29 HA ASP 29 1.337 6.461 5.117 249 HB2 ASP 29 2HB ASP 29 0.843 8.604 3.829 250 HB3 ASP 29 3HB ASP 29 0.402 9.329 5.369 251 HA PRO 30 HA PRO 30 0.275 6.349 9.540 252 HB2 PRO 30 2HB PRO 30 2.356 4.878 10.373 253 HB3 PRO 30 3HB PRO 30 1.055 4.155 9.412 254 HG2 PRO 30 2HG PRO 30 3.760 5.105 8.519 255 HG3 PRO 30 3HG PRO 30 2.915 3.595 8.118 256 HD2 PRO 30 2HD PRO 30 2.944 5.794 6.476 257 HD3 PRO 30 3HD PRO 30 1.630 4.602 6.497 258 H GLU 31 H GLU 31 3.094 7.699 8.034 259 HA GLU 31 HA GLU 31 4.180 8.814 10.500 260 HB2 GLU 31 2HB GLU 31 5.038 9.161 7.613 261 HB3 GLU 31 3HB GLU 31 5.905 9.794 9.004 262 HG2 GLU 31 2HG GLU 31 5.381 6.862 8.541 263 HG3 GLU 31 3HG GLU 31 6.847 7.695 8.026 264 H THR 32 H THR 32 2.575 9.994 7.547 265 HA THR 32 HA THR 32 2.443 12.699 8.731 266 HB THR 32 HB THR 32 2.106 13.599 6.534 267 HG1 THR 32 HG1 THR 32 2.369 11.270 5.090 268 HG21 THR 32 3HG2 THR 32 4.245 11.458 6.428 269 HG22 THR 32 1HG2 THR 32 4.433 13.081 7.097 270 HG23 THR 32 2HG2 THR 32 4.148 12.867 5.367 271 H GLY 33 H GLY 33 0.423 10.068 7.608 272 HA2 GLY 33 2HA GLY 33 -1.776 9.693 8.333 273 HA3 GLY 33 3HA GLY 33 -1.882 11.362 8.848 274 H LYS 34 H LYS 34 -0.736 10.941 5.633 275 HA LYS 34 HA LYS 34 -3.334 11.832 4.587 276 HB2 LYS 34 2HB LYS 34 -2.165 12.537 2.601 277 HB3 LYS 34 3HB LYS 34 -1.285 13.133 4.003 278 HG2 LYS 34 2HG LYS 34 0.428 11.499 3.734 279 HG3 LYS 34 3HG LYS 34 -0.521 10.609 2.544 280 HD2 LYS 34 2HD LYS 34 -0.358 12.529 1.003 281 HD3 LYS 34 3HD LYS 34 0.629 13.384 2.189 282 HE2 LYS 34 2HE LYS 34 2.363 11.706 2.020 283 HE3 LYS 34 3HE LYS 34 1.355 10.719 0.964 284 HZ1 LYS 34 3HZ LYS 34 3.042 11.996 -0.245 285 HZ2 LYS 34 1HZ LYS 34 2.350 13.438 0.302 286 HZ3 LYS 34 2HZ LYS 34 1.473 12.417 -0.721 287 H VAL 35 H VAL 35 -4.511 10.685 3.060 288 HA VAL 35 HA VAL 35 -3.652 7.963 2.453 289 HB VAL 35 HB VAL 35 -6.184 9.406 1.609 290 HG11 VAL 35 1HG1 VAL 35 -5.453 6.474 1.431 291 HG12 VAL 35 2HG1 VAL 35 -5.598 7.590 0.074 292 HG13 VAL 35 3HG1 VAL 35 -7.024 7.171 1.023 293 HG21 VAL 35 3HG2 VAL 35 -5.679 7.439 3.855 294 HG22 VAL 35 1HG2 VAL 35 -7.272 8.003 3.343 295 HG23 VAL 35 2HG2 VAL 35 -6.109 9.142 4.018 296 H GLU 36 H GLU 36 -2.029 7.981 0.998 297 HA GLU 36 HA GLU 36 -2.196 9.716 -1.372 298 HB2 GLU 36 2HB GLU 36 -0.162 9.876 0.021 299 HB3 GLU 36 3HB GLU 36 0.147 8.166 -0.237 300 HG2 GLU 36 2HG GLU 36 1.572 9.492 -1.662 301 HG3 GLU 36 3HG GLU 36 0.423 8.580 -2.640 302 H ILE 37 H ILE 37 -2.222 8.877 -3.443 303 HA ILE 37 HA ILE 37 -2.840 6.023 -3.632 304 HB ILE 37 HB ILE 37 -3.072 8.187 -5.740 305 HG12 ILE 37 2HG1 ILE 37 -5.173 6.878 -3.986 306 HG13 ILE 37 3HG1 ILE 37 -4.622 8.546 -3.875 307 HG21 ILE 37 1HG2 ILE 37 -4.108 5.342 -5.757 308 HG22 ILE 37 2HG2 ILE 37 -2.751 5.952 -6.706 309 HG23 ILE 37 3HG2 ILE 37 -4.377 6.557 -7.009 310 HD11 ILE 37 3HD1 ILE 37 -6.110 7.318 -6.186 311 HD12 ILE 37 1HD1 ILE 37 -5.536 8.984 -6.105 312 HD13 ILE 37 2HD1 ILE 37 -6.768 8.419 -4.976 313 H ALA 38 H ALA 38 -1.468 4.560 -4.403 314 HA ALA 38 HA ALA 38 0.772 5.419 -6.126 315 HB1 ALA 38 3HB ALA 38 2.267 3.876 -4.981 316 HB2 ALA 38 1HB ALA 38 0.970 3.399 -3.885 317 HB3 ALA 38 2HB ALA 38 1.603 5.044 -3.838 318 H GLU 39 H GLU 39 1.643 3.682 -7.486 319 HA GLU 39 HA GLU 39 -0.379 1.610 -8.058 320 HB2 GLU 39 2HB GLU 39 1.733 2.751 -9.911 321 HB3 GLU 39 3HB GLU 39 0.522 1.548 -10.343 322 HG2 GLU 39 2HG GLU 39 -1.234 3.244 -9.719 323 HG3 GLU 39 3HG GLU 39 0.063 4.428 -9.592 324 H ILE 40 H ILE 40 0.188 -0.526 -8.089 325 HA ILE 40 HA ILE 40 2.437 -1.174 -6.456 326 HB ILE 40 HB ILE 40 0.540 -3.044 -7.892 327 HG12 ILE 40 2HG1 ILE 40 0.509 -1.991 -5.047 328 HG13 ILE 40 3HG1 ILE 40 -0.598 -1.511 -6.328 329 HG21 ILE 40 1HG2 ILE 40 2.468 -3.564 -5.620 330 HG22 ILE 40 2HG2 ILE 40 2.604 -4.174 -7.270 331 HG23 ILE 40 3HG2 ILE 40 1.280 -4.714 -6.239 332 HD11 ILE 40 3HD1 ILE 40 -0.366 -4.262 -5.127 333 HD12 ILE 40 1HD1 ILE 40 -1.470 -3.793 -6.424 334 HD13 ILE 40 2HD1 ILE 40 -1.642 -3.084 -4.817 335 H ARG 41 H ARG 41 4.416 -1.315 -7.135 336 HA ARG 41 HA ARG 41 5.159 -1.741 -9.881 337 HB2 ARG 41 2HB ARG 41 6.288 -0.177 -8.231 338 HB3 ARG 41 3HB ARG 41 6.928 -1.592 -7.417 339 HG2 ARG 41 2HG ARG 41 7.495 -1.287 -10.323 340 HG3 ARG 41 3HG ARG 41 8.316 -0.204 -9.203 341 HD2 ARG 41 2HD ARG 41 9.838 -1.906 -9.269 342 HD3 ARG 41 3HD ARG 41 8.836 -2.474 -7.937 343 HE ARG 41 HE ARG 41 7.898 -3.485 -10.417 344 HH11 ARG 41 1HH1 ARG 41 10.300 -3.934 -7.993 345 HH12 ARG 41 2HH1 ARG 41 10.667 -5.546 -8.510 346 HH21 ARG 41 1HH2 ARG 41 8.348 -5.564 -11.036 347 HH22 ARG 41 2HH2 ARG 41 9.547 -6.475 -10.180 348 H ASN 42 H ASN 42 5.248 -3.573 -6.868 349 HA ASN 42 HA ASN 42 5.617 -6.057 -8.391 350 HB2 ASN 42 2HB ASN 42 7.842 -5.364 -7.506 351 HB3 ASN 42 3HB ASN 42 7.179 -5.403 -5.875 352 HD21 ASN 42 1HD2 ASN 42 8.551 -7.017 -5.169 353 HD22 ASN 42 2HD2 ASN 42 8.418 -8.650 -5.706 354 H VAL 43 H VAL 43 3.975 -7.395 -7.877 355 HA VAL 43 HA VAL 43 2.218 -6.810 -5.689 356 HB VAL 43 HB VAL 43 0.929 -8.788 -6.423 357 HG11 VAL 43 1HG1 VAL 43 1.773 -6.961 -8.676 358 HG12 VAL 43 2HG1 VAL 43 0.536 -6.614 -7.465 359 HG13 VAL 43 3HG1 VAL 43 0.294 -7.923 -8.622 360 HG21 VAL 43 3HG2 VAL 43 2.769 -10.230 -7.118 361 HG22 VAL 43 1HG2 VAL 43 3.149 -9.134 -8.447 362 HG23 VAL 43 2HG2 VAL 43 1.622 -10.015 -8.440 363 H VAL 44 H VAL 44 4.876 -9.026 -6.102 364 HA VAL 44 HA VAL 44 4.089 -10.577 -3.750 365 HB VAL 44 HB VAL 44 4.927 -11.809 -5.717 366 HG11 VAL 44 1HG1 VAL 44 7.558 -10.430 -5.171 367 HG12 VAL 44 2HG1 VAL 44 6.514 -10.155 -6.566 368 HG13 VAL 44 3HG1 VAL 44 7.290 -11.723 -6.341 369 HG21 VAL 44 3HG2 VAL 44 5.177 -12.778 -3.474 370 HG22 VAL 44 1HG2 VAL 44 6.765 -12.023 -3.326 371 HG23 VAL 44 2HG2 VAL 44 6.490 -13.272 -4.543 372 H GLU 45 H GLU 45 5.295 -10.680 -1.860 373 HA GLU 45 HA GLU 45 6.479 -8.324 -0.951 374 HB2 GLU 45 2HB GLU 45 6.865 -11.094 0.210 375 HB3 GLU 45 3HB GLU 45 7.069 -9.568 1.060 376 HG2 GLU 45 2HG GLU 45 4.648 -9.115 0.713 377 HG3 GLU 45 3HG GLU 45 4.492 -10.718 -0.003 378 H ASN 46 H ASN 46 8.607 -7.719 -0.485 379 HA ASN 46 HA ASN 46 10.659 -8.684 -2.232 380 HB2 ASN 46 2HB ASN 46 10.888 -6.841 0.166 381 HB3 ASN 46 3HB ASN 46 12.097 -7.049 -1.096 382 HD21 ASN 46 1HD2 ASN 46 11.723 -6.149 -3.129 383 HD22 ASN 46 2HD2 ASN 46 10.534 -4.921 -3.370 384 H THR 47 H THR 47 10.280 -10.992 -1.302 385 HA THR 47 HA THR 47 12.148 -11.490 0.927 386 HB THR 47 HB THR 47 9.853 -11.488 1.836 387 HG1 THR 47 HG1 THR 47 10.903 -12.884 3.052 388 HG21 THR 47 3HG2 THR 47 9.374 -13.773 -0.084 389 HG22 THR 47 1HG2 THR 47 8.629 -12.175 -0.158 390 HG23 THR 47 2HG2 THR 47 8.270 -13.253 1.190 391 H ALA 48 H ALA 48 12.039 -14.181 1.148 392 HA ALA 48 HA ALA 48 13.115 -15.035 -1.452 393 HB1 ALA 48 3HB ALA 48 14.365 -16.711 -0.225 394 HB2 ALA 48 1HB ALA 48 13.547 -16.256 1.271 395 HB3 ALA 48 2HB ALA 48 14.630 -15.114 0.478 396 H ASN 49 H ASN 49 11.618 -16.884 1.235 397 HA ASN 49 HA ASN 49 10.259 -18.695 1.260 398 HB2 ASN 49 2HB ASN 49 9.132 -17.266 -1.143 399 HB3 ASN 49 3HB ASN 49 8.461 -18.795 -0.580 400 HD21 ASN 49 1HD2 ASN 49 7.317 -18.852 1.329 401 HD22 ASN 49 2HD2 ASN 49 6.808 -17.425 2.159 402 HA PRO 50 HA PRO 50 13.145 -21.133 -1.385 403 HB2 PRO 50 2HB PRO 50 12.430 -23.125 0.715 404 HB3 PRO 50 3HB PRO 50 14.019 -22.670 0.086 405 HG2 PRO 50 2HG PRO 50 13.238 -21.843 2.491 406 HG3 PRO 50 3HG PRO 50 14.143 -20.762 1.413 407 HD2 PRO 50 2HD PRO 50 11.205 -20.812 2.020 408 HD3 PRO 50 3HD PRO 50 12.293 -19.419 1.827 409 H HIS 51 H HIS 51 9.912 -21.883 -0.236 410 HA HIS 51 HA HIS 51 9.566 -23.820 -2.431 411 HB2 HIS 51 2HB HIS 51 7.898 -23.329 0.045 412 HB3 HIS 51 3HB HIS 51 7.420 -24.416 -1.254 413 HD1 HIS 51 HD1 HIS 51 7.837 -25.461 1.613 414 HD2 HIS 51 HD2 HIS 51 10.761 -25.511 -1.342 415 HE1 HIS 51 HE1 HIS 51 9.447 -27.265 2.286 416 HE2 HIS 51 HE2 HIS 51 11.255 -27.213 0.536 417 H PHE 52 H PHE 52 7.481 -23.748 -3.606 418 HA PHE 52 HA PHE 52 7.046 -21.282 -4.841 419 HB2 PHE 52 2HB PHE 52 5.097 -22.352 -5.909 420 HB3 PHE 52 3HB PHE 52 6.511 -23.399 -5.929 421 HD1 PHE 52 HD1 PHE 52 6.583 -25.419 -4.547 422 HD2 PHE 52 HD2 PHE 52 3.132 -22.917 -4.610 423 HE1 PHE 52 HE1 PHE 52 5.265 -27.213 -3.502 424 HE2 PHE 52 HE2 PHE 52 1.812 -24.710 -3.565 425 HZ PHE 52 HZ PHE 52 2.880 -26.859 -3.010 426 H VAL 53 H VAL 53 5.767 -22.427 -1.867 427 HA VAL 53 HA VAL 53 3.326 -20.967 -1.855 428 HB VAL 53 HB VAL 53 4.896 -21.982 0.528 429 HG11 VAL 53 1HG1 VAL 53 3.214 -20.358 1.180 430 HG12 VAL 53 2HG1 VAL 53 2.696 -21.974 1.662 431 HG13 VAL 53 3HG1 VAL 53 1.985 -21.207 0.239 432 HG21 VAL 53 3HG2 VAL 53 2.711 -23.342 -1.063 433 HG22 VAL 53 1HG2 VAL 53 3.460 -23.963 0.408 434 HG23 VAL 53 2HG2 VAL 53 4.420 -23.783 -1.060 435 H ARG 54 H ARG 54 3.975 -18.889 -2.562 436 HA ARG 54 HA ARG 54 4.845 -17.162 -0.342 437 HB2 ARG 54 2HB ARG 54 6.141 -15.758 -1.905 438 HB3 ARG 54 3HB ARG 54 6.783 -17.393 -1.819 439 HG2 ARG 54 2HG ARG 54 5.547 -17.923 -3.918 440 HG3 ARG 54 3HG ARG 54 5.101 -16.218 -4.028 441 HD2 ARG 54 2HD ARG 54 7.036 -16.672 -5.423 442 HD3 ARG 54 3HD ARG 54 7.489 -15.617 -4.083 443 HE ARG 54 HE ARG 54 8.692 -17.392 -3.115 444 HH11 ARG 54 1HH1 ARG 54 7.209 -18.321 -6.087 445 HH12 ARG 54 2HH1 ARG 54 8.215 -19.712 -6.279 446 HH21 ARG 54 1HH2 ARG 54 9.964 -19.208 -3.368 447 HH22 ARG 54 2HH2 ARG 54 9.753 -20.203 -4.767 448 H ARG 55 H ARG 55 3.691 -15.215 -0.185 449 HA ARG 55 HA ARG 55 1.179 -15.312 -1.619 450 HB2 ARG 55 2HB ARG 55 0.429 -13.557 -0.088 451 HB3 ARG 55 3HB ARG 55 1.132 -14.919 0.768 452 HG2 ARG 55 2HG ARG 55 3.261 -13.572 0.933 453 HG3 ARG 55 3HG ARG 55 2.336 -12.197 0.324 454 HD2 ARG 55 2HD ARG 55 1.918 -13.734 2.880 455 HD3 ARG 55 3HD ARG 55 2.345 -12.033 2.696 456 HE ARG 55 HE ARG 55 -0.131 -12.531 1.449 457 HH11 ARG 55 1HH1 ARG 55 1.280 -12.171 4.570 458 HH12 ARG 55 2HH1 ARG 55 -0.227 -11.777 5.318 459 HH21 ARG 55 1HH2 ARG 55 -2.049 -12.011 2.414 460 HH22 ARG 55 2HH2 ARG 55 -2.094 -11.675 4.110 461 H ASN 56 H ASN 56 1.845 -14.823 -3.721 462 HA ASN 56 HA ASN 56 2.745 -12.142 -4.372 463 HB2 ASN 56 2HB ASN 56 2.260 -12.958 -6.764 464 HB3 ASN 56 3HB ASN 56 3.535 -13.783 -5.875 465 HD21 ASN 56 1HD2 ASN 56 3.258 -15.568 -7.290 466 HD22 ASN 56 2HD2 ASN 56 1.954 -16.679 -7.062 467 H ILE 57 H ILE 57 -0.253 -13.808 -4.004 468 HA ILE 57 HA ILE 57 -1.893 -11.959 -5.436 469 HB ILE 57 HB ILE 57 -3.792 -13.064 -4.224 470 HG12 ILE 57 2HG1 ILE 57 -1.580 -14.776 -3.042 471 HG13 ILE 57 3HG1 ILE 57 -2.574 -13.636 -2.144 472 HG21 ILE 57 1HG2 ILE 57 -3.532 -15.231 -5.363 473 HG22 ILE 57 2HG2 ILE 57 -1.818 -14.891 -5.601 474 HG23 ILE 57 3HG2 ILE 57 -3.034 -13.883 -6.386 475 HD11 ILE 57 3HD1 ILE 57 -3.320 -15.917 -1.795 476 HD12 ILE 57 1HD1 ILE 57 -3.550 -16.126 -3.532 477 HD13 ILE 57 2HD1 ILE 57 -4.556 -14.984 -2.640 478 H ILE 58 H ILE 58 -2.746 -10.090 -4.818 479 HA ILE 58 HA ILE 58 -1.916 -8.656 -2.576 480 HB ILE 58 HB ILE 58 -4.392 -8.208 -4.264 481 HG12 ILE 58 2HG1 ILE 58 -1.581 -7.102 -4.549 482 HG13 ILE 58 3HG1 ILE 58 -2.312 -8.319 -5.589 483 HG21 ILE 58 1HG2 ILE 58 -4.480 -6.937 -2.178 484 HG22 ILE 58 2HG2 ILE 58 -4.241 -5.870 -3.560 485 HG23 ILE 58 3HG2 ILE 58 -2.884 -6.268 -2.508 486 HD11 ILE 58 3HD1 ILE 58 -2.334 -6.157 -6.659 487 HD12 ILE 58 1HD1 ILE 58 -3.208 -5.461 -5.293 488 HD13 ILE 58 2HD1 ILE 58 -3.984 -6.677 -6.307 489 H THR 59 H THR 59 -2.259 -9.720 -0.623 490 HA THR 59 HA THR 59 -5.071 -10.078 0.228 491 HB THR 59 HB THR 59 -4.267 -12.047 1.613 492 HG1 THR 59 HG1 THR 59 -2.057 -12.098 -0.182 493 HG21 THR 59 3HG2 THR 59 -4.306 -13.631 -0.270 494 HG22 THR 59 1HG2 THR 59 -4.045 -12.297 -1.395 495 HG23 THR 59 2HG2 THR 59 -5.536 -12.379 -0.455 496 H ARG 60 H ARG 60 -5.358 -10.185 2.613 497 HA ARG 60 HA ARG 60 -4.404 -7.863 3.844 498 HB2 ARG 60 2HB ARG 60 -6.494 -8.929 4.505 499 HB3 ARG 60 3HB ARG 60 -5.622 -10.336 5.098 500 HG2 ARG 60 2HG ARG 60 -4.510 -8.852 6.776 501 HG3 ARG 60 3HG ARG 60 -5.570 -7.545 6.241 502 HD2 ARG 60 2HD ARG 60 -6.410 -8.678 8.267 503 HD3 ARG 60 3HD ARG 60 -7.528 -8.811 6.910 504 HE ARG 60 HE ARG 60 -6.377 -11.099 6.611 505 HH11 ARG 60 1HH1 ARG 60 -6.961 -9.607 9.666 506 HH12 ARG 60 2HH1 ARG 60 -7.151 -11.122 10.477 507 HH21 ARG 60 1HH2 ARG 60 -6.621 -13.012 7.664 508 HH22 ARG 60 2HH2 ARG 60 -6.964 -13.026 9.360 509 H GLY 61 H GLY 61 -2.427 -7.413 4.604 510 HA2 GLY 61 2HA GLY 61 -0.681 -7.749 6.200 511 HA3 GLY 61 3HA GLY 61 -0.956 -9.481 6.107 512 H ALA 62 H ALA 62 -1.045 -8.800 2.998 513 HA ALA 62 HA ALA 62 1.664 -9.622 2.514 514 HB1 ALA 62 3HB ALA 62 -0.474 -8.764 0.553 515 HB2 ALA 62 1HB ALA 62 -0.160 -10.416 1.090 516 HB3 ALA 62 2HB ALA 62 1.051 -9.551 0.139 517 H VAL 63 H VAL 63 3.402 -8.395 2.039 518 HA VAL 63 HA VAL 63 3.060 -5.488 1.902 519 HB VAL 63 HB VAL 63 5.599 -7.122 2.100 520 HG11 VAL 63 1HG1 VAL 63 6.657 -5.008 2.768 521 HG12 VAL 63 2HG1 VAL 63 5.137 -4.160 2.484 522 HG13 VAL 63 3HG1 VAL 63 5.989 -4.916 1.138 523 HG21 VAL 63 3HG2 VAL 63 4.211 -7.456 4.059 524 HG22 VAL 63 1HG2 VAL 63 4.023 -5.713 4.255 525 HG23 VAL 63 2HG2 VAL 63 5.607 -6.460 4.468 526 H VAL 64 H VAL 64 2.784 -4.642 -0.080 527 HA VAL 64 HA VAL 64 4.141 -5.871 -2.386 528 HB VAL 64 HB VAL 64 2.597 -4.614 -3.809 529 HG11 VAL 64 1HG1 VAL 64 1.916 -6.829 -3.045 530 HG12 VAL 64 2HG1 VAL 64 0.512 -5.772 -3.201 531 HG13 VAL 64 3HG1 VAL 64 1.179 -6.125 -1.606 532 HG21 VAL 64 3HG2 VAL 64 2.302 -2.622 -2.406 533 HG22 VAL 64 1HG2 VAL 64 1.386 -3.573 -1.234 534 HG23 VAL 64 2HG2 VAL 64 0.744 -3.314 -2.857 535 H GLU 65 H GLU 65 5.361 -4.627 -3.830 536 HA GLU 65 HA GLU 65 6.600 -2.258 -2.639 537 HB2 GLU 65 2HB GLU 65 8.069 -4.035 -3.452 538 HB3 GLU 65 3HB GLU 65 7.364 -3.920 -5.056 539 HG2 GLU 65 2HG GLU 65 8.288 -1.708 -5.353 540 HG3 GLU 65 3HG GLU 65 8.902 -1.710 -3.698 541 H THR 66 H THR 66 6.115 -0.243 -3.272 542 HA THR 66 HA THR 66 4.746 0.164 -5.871 543 HB THR 66 HB THR 66 3.325 1.865 -4.881 544 HG1 THR 66 HG1 THR 66 4.304 1.229 -2.297 545 HG21 THR 66 3HG2 THR 66 1.959 0.498 -3.353 546 HG22 THR 66 1HG2 THR 66 3.283 -0.659 -3.212 547 HG23 THR 66 2HG2 THR 66 2.476 -0.426 -4.763 548 H ASN 67 H ASN 67 4.664 2.650 -6.368 549 HA ASN 67 HA ASN 67 7.320 3.577 -6.665 550 HB2 ASN 67 2HB ASN 67 6.300 5.619 -7.595 551 HB3 ASN 67 3HB ASN 67 5.580 4.160 -8.264 552 HD21 ASN 67 1HD2 ASN 67 5.065 6.977 -6.348 553 HD22 ASN 67 2HD2 ASN 67 3.355 6.800 -6.176 554 H LEU 68 H LEU 68 5.141 3.885 -4.037 555 HA LEU 68 HA LEU 68 6.581 6.140 -2.849 556 HB2 LEU 68 2HB LEU 68 4.332 4.441 -1.755 557 HB3 LEU 68 3HB LEU 68 5.010 5.850 -0.961 558 HG LEU 68 HG LEU 68 3.525 5.862 -3.594 559 HD11 LEU 68 1HD1 LEU 68 1.762 7.003 -2.369 560 HD12 LEU 68 2HD1 LEU 68 2.687 6.865 -0.874 561 HD13 LEU 68 3HD1 LEU 68 2.076 5.414 -1.669 562 HD21 LEU 68 3HD2 LEU 68 3.594 8.323 -3.345 563 HD22 LEU 68 1HD2 LEU 68 5.195 7.616 -3.561 564 HD23 LEU 68 2HD2 LEU 68 4.669 8.130 -1.957 565 H GLY 69 H GLY 69 6.378 2.661 -2.630 566 HA2 GLY 69 2HA GLY 69 8.598 1.805 -1.579 567 HA3 GLY 69 3HA GLY 69 7.962 2.602 -0.145 568 H ASN 70 H ASN 70 7.798 0.665 1.046 569 HA ASN 70 HA ASN 70 6.329 -1.593 -0.007 570 HB2 ASN 70 2HB ASN 70 7.329 -1.112 2.811 571 HB3 ASN 70 3HB ASN 70 6.791 -2.649 2.143 572 HD21 ASN 70 1HD2 ASN 70 8.090 -3.666 0.560 573 HD22 ASN 70 2HD2 ASN 70 9.764 -3.284 0.412 574 H VAL 71 H VAL 71 4.228 -2.034 0.261 575 HA VAL 71 HA VAL 71 2.662 -0.448 2.205 576 HB VAL 71 HB VAL 71 1.777 -1.260 -0.579 577 HG11 VAL 71 1HG1 VAL 71 -0.074 -1.270 1.019 578 HG12 VAL 71 2HG1 VAL 71 -0.233 0.061 -0.128 579 HG13 VAL 71 3HG1 VAL 71 0.334 0.375 1.513 580 HG21 VAL 71 3HG2 VAL 71 3.422 0.570 -0.591 581 HG22 VAL 71 1HG2 VAL 71 2.401 1.490 0.514 582 HG23 VAL 71 2HG2 VAL 71 1.829 1.117 -1.114 583 H ARG 72 H ARG 72 1.466 -1.637 3.596 584 HA ARG 72 HA ARG 72 1.194 -4.513 3.145 585 HB2 ARG 72 2HB ARG 72 1.930 -3.672 5.360 586 HB3 ARG 72 3HB ARG 72 0.394 -2.834 5.534 587 HG2 ARG 72 2HG ARG 72 -0.776 -5.002 5.432 588 HG3 ARG 72 3HG ARG 72 0.785 -5.817 5.342 589 HD2 ARG 72 2HD ARG 72 -0.131 -4.046 7.614 590 HD3 ARG 72 3HD ARG 72 -0.161 -5.809 7.625 591 HE ARG 72 HE ARG 72 2.444 -5.066 7.054 592 HH11 ARG 72 1HH1 ARG 72 0.219 -4.762 9.670 593 HH12 ARG 72 2HH1 ARG 72 1.468 -4.699 10.863 594 HH21 ARG 72 1HH2 ARG 72 4.033 -4.981 8.596 595 HH22 ARG 72 2HH2 ARG 72 3.608 -4.794 10.261 596 H VAL 73 H VAL 73 -0.560 -5.277 2.126 597 HA VAL 73 HA VAL 73 -2.869 -3.737 1.550 598 HB VAL 73 HB VAL 73 -2.589 -6.748 1.440 599 HG11 VAL 73 1HG1 VAL 73 -4.486 -4.887 0.002 600 HG12 VAL 73 2HG1 VAL 73 -4.904 -6.020 1.290 601 HG13 VAL 73 3HG1 VAL 73 -4.349 -6.625 -0.271 602 HG21 VAL 73 3HG2 VAL 73 -0.798 -5.653 0.187 603 HG22 VAL 73 1HG2 VAL 73 -1.988 -4.696 -0.697 604 HG23 VAL 73 2HG2 VAL 73 -1.938 -6.449 -0.901 605 H THR 74 H THR 74 -4.792 -3.506 2.591 606 HA THR 74 HA THR 74 -5.214 -5.051 5.079 607 HB THR 74 HB THR 74 -6.697 -3.196 5.810 608 HG1 THR 74 HG1 THR 74 -6.510 -1.200 4.562 609 HG21 THR 74 3HG2 THR 74 -4.353 -3.185 6.508 610 HG22 THR 74 1HG2 THR 74 -4.927 -1.540 6.238 611 HG23 THR 74 2HG2 THR 74 -3.908 -2.326 5.033 612 H SER 75 H SER 75 -7.420 -3.239 2.933 613 HA SER 75 HA SER 75 -9.550 -5.117 3.326 614 HB2 SER 75 2HB SER 75 -9.305 -2.840 1.333 615 HB3 SER 75 3HB SER 75 -10.789 -3.719 1.695 616 HG SER 75 HG SER 75 -10.730 -1.826 2.906 617 H ARG 76 H ARG 76 -10.815 -5.676 1.094 618 HA ARG 76 HA ARG 76 -8.975 -7.377 -0.417 619 HB2 ARG 76 2HB ARG 76 -11.998 -7.298 -0.355 620 HB3 ARG 76 3HB ARG 76 -11.049 -8.434 -1.301 621 HG2 ARG 76 2HG ARG 76 -10.971 -8.219 1.711 622 HG3 ARG 76 3HG ARG 76 -11.924 -9.395 0.808 623 HD2 ARG 76 2HD ARG 76 -9.887 -10.439 1.575 624 HD3 ARG 76 3HD ARG 76 -9.828 -10.281 -0.179 625 HE ARG 76 HE ARG 76 -8.463 -8.363 1.589 626 HH11 ARG 76 1HH1 ARG 76 -8.407 -10.560 -1.070 627 HH12 ARG 76 2HH1 ARG 76 -6.791 -10.138 -1.526 628 HH21 ARG 76 1HH2 ARG 76 -6.432 -7.766 0.938 629 HH22 ARG 76 2HH2 ARG 76 -5.698 -8.566 -0.410 630 HA PRO 77 HA PRO 77 -8.857 -4.471 -3.741 631 HB2 PRO 77 2HB PRO 77 -7.656 -5.990 -5.620 632 HB3 PRO 77 3HB PRO 77 -6.802 -5.453 -4.167 633 HG2 PRO 77 2HG PRO 77 -8.109 -8.098 -4.714 634 HG3 PRO 77 3HG PRO 77 -6.500 -7.767 -4.040 635 HD2 PRO 77 2HD PRO 77 -8.635 -8.375 -2.479 636 HD3 PRO 77 3HD PRO 77 -7.343 -7.282 -1.939 637 H GLY 78 H GLY 78 -9.958 -3.887 -5.628 638 HA2 GLY 78 2HA GLY 78 -11.117 -4.380 -7.651 639 HA3 GLY 78 3HA GLY 78 -11.559 -5.944 -6.997 640 H GLN 79 H GLN 79 -12.071 -3.464 -4.721 641 HA GLN 79 HA GLN 79 -14.917 -3.692 -4.912 642 HB2 GLN 79 2HB GLN 79 -13.404 -1.561 -3.389 643 HB3 GLN 79 3HB GLN 79 -15.024 -2.157 -3.071 644 HG2 GLN 79 2HG GLN 79 -12.452 -3.685 -2.700 645 HG3 GLN 79 3HG GLN 79 -13.459 -3.002 -1.428 646 HE21 GLN 79 1HE2 GLN 79 -12.623 -5.750 -1.877 647 HE22 GLN 79 2HE2 GLN 79 -14.073 -6.679 -1.978 648 H ASP 80 H ASP 80 -15.255 -3.062 -7.134 649 HA ASP 80 HA ASP 80 -15.703 -1.671 -8.867 650 HB2 ASP 80 2HB ASP 80 -17.053 -0.480 -7.123 651 HB3 ASP 80 3HB ASP 80 -15.672 0.569 -6.826 652 H GLY 81 H GLY 81 -12.871 -1.999 -7.636 653 HA2 GLY 81 2HA GLY 81 -11.006 -1.541 -9.204 654 HA3 GLY 81 3HA GLY 81 -11.573 0.119 -9.253 655 H VAL 82 H VAL 82 -12.068 0.249 -6.358 656 HA VAL 82 HA VAL 82 -9.505 1.259 -5.673 657 HB VAL 82 HB VAL 82 -11.546 2.337 -4.874 658 HG11 VAL 82 1HG1 VAL 82 -12.847 1.375 -3.019 659 HG12 VAL 82 2HG1 VAL 82 -11.911 -0.117 -3.153 660 HG13 VAL 82 3HG1 VAL 82 -12.946 0.399 -4.486 661 HG21 VAL 82 3HG2 VAL 82 -9.474 2.712 -3.637 662 HG22 VAL 82 1HG2 VAL 82 -9.820 1.321 -2.608 663 HG23 VAL 82 2HG2 VAL 82 -10.864 2.744 -2.554 664 H ILE 83 H ILE 83 -7.882 0.457 -4.514 665 HA ILE 83 HA ILE 83 -8.287 -1.969 -2.873 666 HB ILE 83 HB ILE 83 -5.695 -1.147 -4.219 667 HG12 ILE 83 2HG1 ILE 83 -7.682 -3.287 -5.048 668 HG13 ILE 83 3HG1 ILE 83 -7.354 -1.791 -5.916 669 HG21 ILE 83 1HG2 ILE 83 -5.367 -2.457 -2.194 670 HG22 ILE 83 2HG2 ILE 83 -4.956 -3.422 -3.612 671 HG23 ILE 83 3HG2 ILE 83 -6.489 -3.684 -2.780 672 HD11 ILE 83 3HD1 ILE 83 -5.400 -4.037 -5.471 673 HD12 ILE 83 1HD1 ILE 83 -5.071 -2.541 -6.345 674 HD13 ILE 83 2HD1 ILE 83 -6.261 -3.682 -6.966 675 H ASN 84 H ASN 84 -7.177 -1.982 -0.805 676 HA ASN 84 HA ASN 84 -6.302 0.709 0.085 677 HB2 ASN 84 2HB ASN 84 -7.930 -1.303 1.658 678 HB3 ASN 84 3HB ASN 84 -7.379 0.263 2.251 679 HD21 ASN 84 1HD2 ASN 84 -8.366 2.142 1.461 680 HD22 ASN 84 2HD2 ASN 84 -9.880 2.095 0.638 681 H GLY 85 H GLY 85 -4.522 0.876 1.378 682 HA2 GLY 85 2HA GLY 85 -3.441 -1.387 2.826 683 HA3 GLY 85 3HA GLY 85 -2.468 -0.906 1.442 684 H VAL 86 H VAL 86 -1.257 -0.806 3.849 685 HA VAL 86 HA VAL 86 -1.221 2.074 4.561 686 HB VAL 86 HB VAL 86 -0.112 -0.051 6.382 687 HG11 VAL 86 1HG1 VAL 86 -0.571 1.594 8.121 688 HG12 VAL 86 2HG1 VAL 86 -1.285 2.675 6.925 689 HG13 VAL 86 3HG1 VAL 86 0.432 2.286 6.844 690 HG21 VAL 86 3HG2 VAL 86 -2.379 -0.790 5.938 691 HG22 VAL 86 1HG2 VAL 86 -3.003 0.821 6.300 692 HG23 VAL 86 2HG2 VAL 86 -2.262 -0.148 7.576 693 H LEU 87 H LEU 87 0.742 3.148 4.605 694 HA LEU 87 HA LEU 87 2.914 1.966 3.125 695 HB2 LEU 87 2HB LEU 87 2.281 4.331 2.874 696 HB3 LEU 87 3HB LEU 87 2.723 4.631 4.541 697 HG LEU 87 HG LEU 87 5.080 4.090 4.003 698 HD11 LEU 87 1HD1 LEU 87 4.734 2.572 2.138 699 HD12 LEU 87 2HD1 LEU 87 5.769 3.913 1.651 700 HD13 LEU 87 3HD1 LEU 87 4.073 3.885 1.164 701 HD21 LEU 87 3HD2 LEU 87 3.859 6.225 2.248 702 HD22 LEU 87 1HD2 LEU 87 5.552 6.125 2.737 703 HD23 LEU 87 2HD2 LEU 87 4.301 6.409 3.945 704 H ILE 88 H ILE 88 4.442 0.697 4.013 705 HA ILE 88 HA ILE 88 5.426 1.328 6.723 706 HB ILE 88 HB ILE 88 5.607 -1.007 7.321 707 HG12 ILE 88 2HG1 ILE 88 4.444 -1.573 4.586 708 HG13 ILE 88 3HG1 ILE 88 6.063 -1.967 5.134 709 HG21 ILE 88 1HG2 ILE 88 2.832 -0.408 6.291 710 HG22 ILE 88 2HG2 ILE 88 3.494 0.102 7.843 711 HG23 ILE 88 3HG2 ILE 88 3.241 -1.612 7.513 712 HD11 ILE 88 3HD1 ILE 88 4.627 -3.929 5.104 713 HD12 ILE 88 1HD1 ILE 88 3.516 -3.141 6.226 714 HD13 ILE 88 2HD1 ILE 88 5.152 -3.546 6.745 715 H ARG 89 H ARG 89 7.495 -0.077 7.132 716 HA ARG 89 HA ARG 89 9.195 -0.363 4.785 717 HB2 ARG 89 2HB ARG 89 9.697 1.740 6.899 718 HB3 ARG 89 3HB ARG 89 10.977 1.123 5.865 719 HG2 ARG 89 2HG ARG 89 8.461 2.441 4.844 720 HG3 ARG 89 3HG ARG 89 9.994 3.275 5.100 721 HD2 ARG 89 2HD ARG 89 9.646 0.888 3.279 722 HD3 ARG 89 3HD ARG 89 9.600 2.566 2.736 723 HE ARG 89 HE ARG 89 11.957 2.461 4.001 724 HH11 ARG 89 1HH1 ARG 89 10.583 0.305 1.688 725 HH12 ARG 89 2HH1 ARG 89 12.104 -0.036 0.947 726 HH21 ARG 89 1HH2 ARG 89 13.888 1.997 3.070 727 HH22 ARG 89 2HH2 ARG 89 13.966 0.902 1.733 728 H GLU 90 H GLU 90 8.814 -2.558 5.799 729 HA GLU 90 HA GLU 90 10.212 -3.207 8.216 730 HB2 GLU 90 2HB GLU 90 9.146 -5.015 6.033 731 HB3 GLU 90 3HB GLU 90 9.741 -5.559 7.596 732 HG2 GLU 90 2HG GLU 90 7.952 -4.209 8.676 733 HG3 GLU 90 3HG GLU 90 7.314 -3.855 7.071 734 H LEU 91 H LEU 91 11.259 -2.630 5.069 735 HA LEU 91 HA LEU 91 13.569 -4.410 5.174 736 HB2 LEU 91 2HB LEU 91 12.782 -2.341 3.109 737 HB3 LEU 91 3HB LEU 91 14.098 -3.491 2.952 738 HG LEU 91 HG LEU 91 11.157 -4.190 3.110 739 HD11 LEU 91 1HD1 LEU 91 11.399 -4.843 0.771 740 HD12 LEU 91 2HD1 LEU 91 13.074 -4.283 0.780 741 HD13 LEU 91 3HD1 LEU 91 11.755 -3.131 0.998 742 HD21 LEU 91 3HD2 LEU 91 12.536 -5.932 4.116 743 HD22 LEU 91 1HD2 LEU 91 13.563 -5.969 2.682 744 HD23 LEU 91 2HD2 LEU 91 11.877 -6.474 2.573 745 H GLU 92 H GLU 92 15.645 -3.101 4.177 746 HA GLU 92 HA GLU 92 16.683 -1.615 6.304 747 HB2 GLU 92 2HB GLU 92 17.591 -1.885 3.438 748 HB3 GLU 92 3HB GLU 92 18.488 -0.938 4.619 749 HG2 GLU 92 2HG GLU 92 17.887 -3.890 4.777 750 HG3 GLU 92 3HG GLU 92 19.441 -3.155 4.390 751 H HIS 93 H HIS 93 16.624 0.443 6.868 752 HA HIS 93 HA HIS 93 15.001 2.300 5.328 753 HB2 HIS 93 2HB HIS 93 16.396 2.684 7.994 754 HB3 HIS 93 3HB HIS 93 15.127 3.703 7.316 755 HD1 HIS 93 HD1 HIS 93 15.680 0.593 9.238 756 HD2 HIS 93 HD2 HIS 93 12.520 2.485 7.310 757 HE1 HIS 93 HE1 HIS 93 13.612 -0.605 10.006 758 HE2 HIS 93 HE2 HIS 93 11.727 0.472 8.734 759 H HIS 94 H HIS 94 17.465 1.586 4.110 760 HA HIS 94 HA HIS 94 19.489 2.289 3.360 761 HB2 HIS 94 2HB HIS 94 19.328 4.485 2.147 762 HB3 HIS 94 3HB HIS 94 18.070 3.318 1.769 763 HD1 HIS 94 HD1 HIS 94 18.560 6.437 3.873 764 HD2 HIS 94 HD2 HIS 94 15.542 4.283 2.005 765 HE1 HIS 94 HE1 HIS 94 16.491 7.838 4.113 766 HE2 HIS 94 HE2 HIS 94 14.722 6.597 2.821 767 H HIS 95 H HIS 95 20.409 2.201 5.562 768 HA HIS 95 HA HIS 95 21.919 4.677 5.966 769 HB2 HIS 95 2HB HIS 95 20.505 3.190 8.200 770 HB3 HIS 95 3HB HIS 95 21.806 4.344 8.473 771 HD1 HIS 95 HD1 HIS 95 21.229 6.816 7.287 772 HD2 HIS 95 HD2 HIS 95 18.069 4.348 8.373 773 HE1 HIS 95 HE1 HIS 95 19.227 8.315 7.446 774 HE2 HIS 95 HE2 HIS 95 17.388 6.840 8.315 775 H HIS 96 H HIS 96 24.049 4.250 6.076 776 HA HIS 96 HA HIS 96 25.066 1.616 5.913 777 HB2 HIS 96 2HB HIS 96 27.301 2.686 6.132 778 HB3 HIS 96 3HB HIS 96 26.284 3.451 4.917 779 HD1 HIS 96 HD1 HIS 96 25.264 5.824 5.581 780 HD2 HIS 96 HD2 HIS 96 28.190 4.347 8.135 781 HE1 HIS 96 HE1 HIS 96 26.014 7.787 6.948 782 HE2 HIS 96 HE2 HIS 96 27.617 6.821 8.625 783 H HIS 97 H HIS 97 25.299 0.155 7.477 784 HA HIS 97 HA HIS 97 25.215 0.983 10.282 785 HB2 HIS 97 2HB HIS 97 24.895 -1.427 10.753 786 HB3 HIS 97 3HB HIS 97 23.706 -0.797 9.621 787 HD1 HIS 97 HD1 HIS 97 23.252 -2.382 7.782 788 HD2 HIS 97 HD2 HIS 97 27.173 -2.711 9.125 789 HE1 HIS 97 HE1 HIS 97 24.274 -4.231 6.433 790 HE2 HIS 97 HE2 HIS 97 26.665 -4.346 7.186 791 H HIS 98 H HIS 98 26.625 -0.285 11.857 792 HA HIS 98 HA HIS 98 29.401 -0.208 10.938 793 HB2 HIS 98 2HB HIS 98 28.904 0.970 13.001 794 HB3 HIS 98 3HB HIS 98 28.211 -0.485 13.709 795 HD1 HIS 98 HD1 HIS 98 31.590 0.660 12.358 796 HD2 HIS 98 HD2 HIS 98 29.982 -1.870 15.239 797 HE1 HIS 98 HE1 HIS 98 33.552 -0.244 13.635 798 HE2 HIS 98 HE2 HIS 98 32.566 -1.822 15.324 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 15.404 1.194 -44.328 2 H2 GLY 1 2H GLY 1 16.305 0.481 -45.569 3 H3 GLY 1 3H GLY 1 14.969 -0.328 -44.923 4 HA2 GLY 1 2HA GLY 1 14.891 2.215 -46.457 5 HA3 GLY 1 3HA GLY 1 14.452 0.635 -47.081 6 H ASP 2 H ASP 2 12.396 -0.163 -46.705 7 HA ASP 2 HA ASP 2 10.557 1.778 -45.505 8 HB2 ASP 2 2HB ASP 2 8.777 0.576 -46.744 9 HB3 ASP 2 3HB ASP 2 10.041 1.207 -47.790 10 H ARG 3 H ARG 3 11.057 1.175 -43.312 11 HA ARG 3 HA ARG 3 9.524 -1.209 -42.467 12 HB2 ARG 3 2HB ARG 3 11.802 0.233 -41.092 13 HB3 ARG 3 3HB ARG 3 10.779 -0.938 -40.268 14 HG2 ARG 3 2HG ARG 3 12.518 -1.477 -42.677 15 HG3 ARG 3 3HG ARG 3 12.839 -1.981 -41.016 16 HD2 ARG 3 2HD ARG 3 10.786 -3.342 -41.042 17 HD3 ARG 3 3HD ARG 3 10.486 -2.851 -42.708 18 HE ARG 3 HE ARG 3 13.050 -4.074 -42.380 19 HH11 ARG 3 1HH1 ARG 3 9.691 -4.697 -42.818 20 HH12 ARG 3 2HH1 ARG 3 9.947 -6.288 -43.439 21 HH21 ARG 3 1HH2 ARG 3 13.365 -6.130 -43.199 22 HH22 ARG 3 2HH2 ARG 3 11.997 -7.082 -43.654 23 H ARG 4 H ARG 4 8.292 1.126 -43.280 24 HA ARG 4 HA ARG 4 7.656 2.931 -41.206 25 HB2 ARG 4 2HB ARG 4 7.386 3.427 -43.601 26 HB3 ARG 4 3HB ARG 4 6.108 2.226 -43.708 27 HG2 ARG 4 2HG ARG 4 4.780 3.570 -42.089 28 HG3 ARG 4 3HG ARG 4 6.042 4.806 -42.147 29 HD2 ARG 4 2HD ARG 4 5.692 4.983 -44.598 30 HD3 ARG 4 3HD ARG 4 4.368 3.828 -44.465 31 HE ARG 4 HE ARG 4 4.330 6.426 -43.073 32 HH11 ARG 4 1HH1 ARG 4 2.799 4.019 -45.005 33 HH12 ARG 4 2HH1 ARG 4 1.342 4.930 -45.176 34 HH21 ARG 4 1HH2 ARG 4 2.459 7.578 -43.289 35 HH22 ARG 4 2HH2 ARG 4 1.149 6.928 -44.210 36 H VAL 5 H VAL 5 6.988 1.876 -39.340 37 HA VAL 5 HA VAL 5 4.501 0.318 -39.454 38 HB VAL 5 HB VAL 5 4.894 -0.159 -37.065 39 HG11 VAL 5 1HG1 VAL 5 5.808 -1.690 -38.710 40 HG12 VAL 5 2HG1 VAL 5 6.917 -1.558 -37.346 41 HG13 VAL 5 3HG1 VAL 5 7.270 -0.713 -38.853 42 HG21 VAL 5 3HG2 VAL 5 7.026 0.507 -36.006 43 HG22 VAL 5 1HG2 VAL 5 6.027 1.901 -36.414 44 HG23 VAL 5 2HG2 VAL 5 7.414 1.483 -37.423 45 H ARG 6 H ARG 6 2.663 0.918 -38.140 46 HA ARG 6 HA ARG 6 2.559 3.824 -37.636 47 HB2 ARG 6 2HB ARG 6 0.097 3.629 -37.983 48 HB3 ARG 6 3HB ARG 6 1.062 3.248 -39.401 49 HG2 ARG 6 2HG ARG 6 0.769 0.821 -38.856 50 HG3 ARG 6 3HG ARG 6 -0.360 1.304 -37.585 51 HD2 ARG 6 2HD ARG 6 -1.779 2.400 -39.253 52 HD3 ARG 6 3HD ARG 6 -0.643 1.951 -40.526 53 HE ARG 6 HE ARG 6 -2.010 -0.106 -38.927 54 HH11 ARG 6 1HH1 ARG 6 -1.316 1.339 -41.972 55 HH12 ARG 6 2HH1 ARG 6 -2.030 0.055 -42.874 56 HH21 ARG 6 1HH2 ARG 6 -2.943 -1.747 -40.079 57 HH22 ARG 6 2HH2 ARG 6 -2.938 -1.690 -41.809 58 H LEU 7 H LEU 7 2.499 0.841 -36.049 59 HA LEU 7 HA LEU 7 2.174 0.213 -33.895 60 HB2 LEU 7 2HB LEU 7 3.791 2.265 -33.791 61 HB3 LEU 7 3HB LEU 7 2.428 3.100 -33.077 62 HG LEU 7 HG LEU 7 3.701 0.591 -31.949 63 HD11 LEU 7 1HD1 LEU 7 3.988 3.463 -31.067 64 HD12 LEU 7 2HD1 LEU 7 5.232 2.481 -31.841 65 HD13 LEU 7 3HD1 LEU 7 4.645 2.053 -30.235 66 HD21 LEU 7 3HD2 LEU 7 2.401 1.104 -29.930 67 HD22 LEU 7 1HD2 LEU 7 1.358 0.789 -31.318 68 HD23 LEU 7 2HD2 LEU 7 1.624 2.447 -30.775 69 H ILE 8 H ILE 8 -0.027 -0.378 -34.225 70 HA ILE 8 HA ILE 8 -2.048 1.618 -33.489 71 HB ILE 8 HB ILE 8 -2.304 0.337 -35.615 72 HG12 ILE 8 2HG1 ILE 8 -4.246 1.333 -34.239 73 HG13 ILE 8 3HG1 ILE 8 -4.641 0.178 -35.502 74 HG21 ILE 8 1HG2 ILE 8 -3.070 -1.986 -35.551 75 HG22 ILE 8 2HG2 ILE 8 -2.799 -2.027 -33.809 76 HG23 ILE 8 3HG2 ILE 8 -1.437 -1.811 -34.908 77 HD11 ILE 8 3HD1 ILE 8 -5.972 -0.210 -33.522 78 HD12 ILE 8 1HD1 ILE 8 -4.515 -0.400 -32.549 79 HD13 ILE 8 2HD1 ILE 8 -4.893 -1.574 -33.809 80 H ARG 9 H ARG 9 -2.987 1.624 -31.575 81 HA ARG 9 HA ARG 9 -3.096 -0.843 -29.963 82 HB2 ARG 9 2HB ARG 9 -2.395 1.953 -29.041 83 HB3 ARG 9 3HB ARG 9 -2.867 0.671 -27.933 84 HG2 ARG 9 2HG ARG 9 -0.957 -0.666 -28.637 85 HG3 ARG 9 3HG ARG 9 -0.491 0.587 -29.789 86 HD2 ARG 9 2HD ARG 9 0.019 2.122 -28.041 87 HD3 ARG 9 3HD ARG 9 -0.736 1.091 -26.824 88 HE ARG 9 HE ARG 9 1.138 -0.541 -27.533 89 HH11 ARG 9 1HH1 ARG 9 1.495 2.894 -27.431 90 HH12 ARG 9 2HH1 ARG 9 3.152 2.805 -26.961 91 HH21 ARG 9 1HH2 ARG 9 3.258 -0.626 -26.937 92 HH22 ARG 9 2HH2 ARG 9 4.146 0.837 -26.701 93 H THR 10 H THR 10 -4.972 -1.134 -28.717 94 HA THR 10 HA THR 10 -7.009 0.763 -28.321 95 HB THR 10 HB THR 10 -7.313 0.704 -30.756 96 HG1 THR 10 HG1 THR 10 -9.575 0.103 -30.708 97 HG21 THR 10 3HG2 THR 10 -7.884 -2.248 -30.389 98 HG22 THR 10 1HG2 THR 10 -6.474 -1.563 -31.198 99 HG23 THR 10 2HG2 THR 10 -8.081 -1.338 -31.884 100 H ARG 11 H ARG 11 -9.173 -0.332 -27.799 101 HA ARG 11 HA ARG 11 -9.159 -3.132 -27.183 102 HB2 ARG 11 2HB ARG 11 -9.437 -2.946 -24.751 103 HB3 ARG 11 3HB ARG 11 -7.864 -2.361 -25.261 104 HG2 ARG 11 2HG ARG 11 -10.172 -0.497 -24.749 105 HG3 ARG 11 3HG ARG 11 -9.086 -1.031 -23.466 106 HD2 ARG 11 2HD ARG 11 -7.189 -0.056 -24.616 107 HD3 ARG 11 3HD ARG 11 -8.202 0.371 -25.994 108 HE ARG 11 HE ARG 11 -9.443 1.745 -24.162 109 HH11 ARG 11 1HH1 ARG 11 -6.035 1.312 -24.458 110 HH12 ARG 11 2HH1 ARG 11 -5.669 2.851 -23.767 111 HH21 ARG 11 1HH2 ARG 11 -8.950 3.718 -23.278 112 HH22 ARG 11 2HH2 ARG 11 -7.297 4.192 -23.103 113 H GLY 12 H GLY 12 -10.717 0.023 -26.715 114 HA2 GLY 12 2HA GLY 12 -12.920 0.629 -27.053 115 HA3 GLY 12 3HA GLY 12 -13.259 -1.015 -27.569 116 H GLY 13 H GLY 13 -15.260 -0.189 -26.249 117 HA2 GLY 13 2HA GLY 13 -15.000 -0.411 -23.372 118 HA3 GLY 13 3HA GLY 13 -16.491 -0.196 -24.276 119 H ASN 14 H ASN 14 -13.962 -2.719 -24.182 120 HA ASN 14 HA ASN 14 -16.118 -4.723 -23.937 121 HB2 ASN 14 2HB ASN 14 -13.478 -4.942 -25.404 122 HB3 ASN 14 3HB ASN 14 -14.623 -6.265 -25.196 123 HD21 ASN 14 1HD2 ASN 14 -16.959 -4.521 -25.520 124 HD22 ASN 14 2HD2 ASN 14 -17.034 -4.155 -27.205 125 H THR 15 H THR 15 -14.607 -6.981 -23.469 126 HA THR 15 HA THR 15 -14.183 -6.639 -20.637 127 HB THR 15 HB THR 15 -13.863 -9.159 -22.288 128 HG1 THR 15 HG1 THR 15 -16.070 -9.498 -21.297 129 HG21 THR 15 3HG2 THR 15 -14.301 -8.746 -19.318 130 HG22 THR 15 1HG2 THR 15 -12.827 -9.342 -20.083 131 HG23 THR 15 2HG2 THR 15 -14.303 -10.307 -20.141 132 H LYS 16 H LYS 16 -12.288 -5.706 -20.076 133 HA LYS 16 HA LYS 16 -9.767 -6.493 -21.287 134 HB2 LYS 16 2HB LYS 16 -8.752 -4.903 -19.699 135 HB3 LYS 16 3HB LYS 16 -10.062 -4.162 -20.607 136 HG2 LYS 16 2HG LYS 16 -11.514 -4.184 -18.749 137 HG3 LYS 16 3HG LYS 16 -10.495 -5.315 -17.862 138 HD2 LYS 16 2HD LYS 16 -9.732 -2.469 -18.555 139 HD3 LYS 16 3HD LYS 16 -10.357 -3.000 -16.994 140 HE2 LYS 16 2HE LYS 16 -8.401 -4.619 -16.909 141 HE3 LYS 16 3HE LYS 16 -7.739 -3.754 -18.295 142 HZ1 LYS 16 3HZ LYS 16 -8.347 -2.595 -15.627 143 HZ2 LYS 16 1HZ LYS 16 -7.770 -1.722 -16.955 144 HZ3 LYS 16 2HZ LYS 16 -6.806 -2.915 -16.246 145 H VAL 17 H VAL 17 -7.973 -7.346 -20.018 146 HA VAL 17 HA VAL 17 -8.664 -9.437 -18.202 147 HB VAL 17 HB VAL 17 -5.932 -8.217 -18.713 148 HG11 VAL 17 1HG1 VAL 17 -5.954 -9.551 -16.680 149 HG12 VAL 17 2HG1 VAL 17 -5.066 -10.401 -17.945 150 HG13 VAL 17 3HG1 VAL 17 -6.711 -10.895 -17.540 151 HG21 VAL 17 3HG2 VAL 17 -5.612 -10.045 -20.324 152 HG22 VAL 17 1HG2 VAL 17 -6.945 -8.992 -20.792 153 HG23 VAL 17 2HG2 VAL 17 -7.278 -10.564 -20.065 154 H ARG 18 H ARG 18 -8.296 -9.558 -15.938 155 HA ARG 18 HA ARG 18 -9.194 -7.540 -14.370 156 HB2 ARG 18 2HB ARG 18 -8.077 -8.653 -12.437 157 HB3 ARG 18 3HB ARG 18 -8.957 -9.761 -13.485 158 HG2 ARG 18 2HG ARG 18 -6.926 -10.545 -14.483 159 HG3 ARG 18 3HG ARG 18 -5.977 -9.312 -13.650 160 HD2 ARG 18 2HD ARG 18 -5.770 -11.530 -12.599 161 HD3 ARG 18 3HD ARG 18 -6.464 -10.333 -11.508 162 HE ARG 18 HE ARG 18 -8.684 -11.403 -12.337 163 HH11 ARG 18 1HH1 ARG 18 -5.724 -13.092 -11.784 164 HH12 ARG 18 2HH1 ARG 18 -6.525 -14.536 -11.268 165 HH21 ARG 18 1HH2 ARG 18 -9.684 -13.253 -11.652 166 HH22 ARG 18 2HH2 ARG 18 -8.738 -14.628 -11.200 167 H LEU 19 H LEU 19 -5.803 -8.028 -15.232 168 HA LEU 19 HA LEU 19 -5.212 -5.268 -14.475 169 HB2 LEU 19 2HB LEU 19 -4.700 -6.732 -12.507 170 HB3 LEU 19 3HB LEU 19 -3.555 -7.612 -13.493 171 HG LEU 19 HG LEU 19 -3.262 -4.649 -12.973 172 HD11 LEU 19 1HD1 LEU 19 -2.108 -6.918 -11.339 173 HD12 LEU 19 2HD1 LEU 19 -3.363 -5.797 -10.808 174 HD13 LEU 19 3HD1 LEU 19 -1.737 -5.204 -11.143 175 HD21 LEU 19 3HD2 LEU 19 -0.879 -5.125 -13.453 176 HD22 LEU 19 1HD2 LEU 19 -1.928 -5.507 -14.817 177 HD23 LEU 19 2HD2 LEU 19 -1.301 -6.802 -13.799 178 H ALA 20 H ALA 20 -4.023 -4.318 -16.047 179 HA ALA 20 HA ALA 20 -2.342 -6.032 -17.779 180 HB1 ALA 20 3HB ALA 20 -2.997 -4.704 -19.721 181 HB2 ALA 20 1HB ALA 20 -4.071 -3.734 -18.711 182 HB3 ALA 20 2HB ALA 20 -4.406 -5.449 -18.964 183 H SER 21 H SER 21 -2.992 -2.552 -17.314 184 HA SER 21 HA SER 21 -0.150 -2.065 -16.728 185 HB2 SER 21 2HB SER 21 -0.451 -1.795 -19.193 186 HB3 SER 21 3HB SER 21 -1.672 -0.565 -18.887 187 HG SER 21 HG SER 21 0.951 -0.258 -19.059 188 H ASP 22 H ASP 22 -2.876 -1.970 -15.446 189 HA ASP 22 HA ASP 22 -3.074 0.878 -14.722 190 HB2 ASP 22 2HB ASP 22 -5.467 0.203 -14.109 191 HB3 ASP 22 3HB ASP 22 -5.066 0.238 -15.822 192 H THR 23 H THR 23 -1.379 -1.282 -13.483 193 HA THR 23 HA THR 23 -2.474 -2.173 -11.040 194 HB THR 23 HB THR 23 0.476 -1.697 -11.533 195 HG1 THR 23 HG1 THR 23 0.534 -3.599 -12.654 196 HG21 THR 23 3HG2 THR 23 -0.991 -3.794 -9.914 197 HG22 THR 23 1HG2 THR 23 -0.155 -2.385 -9.255 198 HG23 THR 23 2HG2 THR 23 0.759 -3.648 -10.080 199 H ARG 24 H ARG 24 -3.127 -0.884 -9.401 200 HA ARG 24 HA ARG 24 -1.279 1.058 -8.271 201 HB2 ARG 24 2HB ARG 24 -3.943 1.819 -9.446 202 HB3 ARG 24 3HB ARG 24 -3.261 2.738 -8.110 203 HG2 ARG 24 2HG ARG 24 -1.293 3.256 -9.439 204 HG3 ARG 24 3HG ARG 24 -1.917 2.284 -10.772 205 HD2 ARG 24 2HD ARG 24 -3.765 3.791 -11.083 206 HD3 ARG 24 3HD ARG 24 -3.336 4.690 -9.628 207 HE ARG 24 HE ARG 24 -1.230 5.277 -10.852 208 HH11 ARG 24 1HH1 ARG 24 -4.080 4.442 -12.622 209 HH12 ARG 24 2HH1 ARG 24 -3.666 5.469 -13.953 210 HH21 ARG 24 1HH2 ARG 24 -0.720 6.553 -12.585 211 HH22 ARG 24 2HH2 ARG 24 -1.790 6.629 -13.939 212 H ILE 25 H ILE 25 -1.963 1.869 -6.162 213 HA ILE 25 HA ILE 25 -4.127 0.449 -4.816 214 HB ILE 25 HB ILE 25 -2.187 -1.054 -4.561 215 HG12 ILE 25 2HG1 ILE 25 -2.893 0.326 -1.949 216 HG13 ILE 25 3HG1 ILE 25 -3.905 -0.866 -2.758 217 HG21 ILE 25 1HG2 ILE 25 -0.864 1.278 -3.164 218 HG22 ILE 25 2HG2 ILE 25 -0.398 0.595 -4.722 219 HG23 ILE 25 3HG2 ILE 25 -0.226 -0.366 -3.253 220 HD11 ILE 25 3HD1 ILE 25 -2.661 -1.865 -0.935 221 HD12 ILE 25 1HD1 ILE 25 -1.141 -1.345 -1.665 222 HD13 ILE 25 2HD1 ILE 25 -2.147 -2.541 -2.481 223 H ASN 26 H ASN 26 -4.942 1.533 -3.040 224 HA ASN 26 HA ASN 26 -4.220 4.306 -2.705 225 HB2 ASN 26 2HB ASN 26 -6.270 2.563 -1.312 226 HB3 ASN 26 3HB ASN 26 -6.069 4.284 -0.995 227 HD21 ASN 26 1HD2 ASN 26 -8.324 2.745 -2.112 228 HD22 ASN 26 2HD2 ASN 26 -8.679 3.501 -3.624 229 H VAL 27 H VAL 27 -2.458 4.812 -1.559 230 HA VAL 27 HA VAL 27 -1.568 3.091 0.636 231 HB VAL 27 HB VAL 27 -0.160 5.474 -0.590 232 HG11 VAL 27 1HG1 VAL 27 0.661 4.869 1.635 233 HG12 VAL 27 2HG1 VAL 27 1.860 4.509 0.393 234 HG13 VAL 27 3HG1 VAL 27 0.902 3.205 1.099 235 HG21 VAL 27 3HG2 VAL 27 -0.591 3.789 -2.297 236 HG22 VAL 27 1HG2 VAL 27 0.120 2.545 -1.270 237 HG23 VAL 27 2HG2 VAL 27 1.126 3.848 -1.903 238 H VAL 28 H VAL 28 -2.088 3.586 2.693 239 HA VAL 28 HA VAL 28 -2.615 6.405 3.402 240 HB VAL 28 HB VAL 28 -3.475 3.908 4.891 241 HG11 VAL 28 1HG1 VAL 28 -4.884 5.458 6.204 242 HG12 VAL 28 2HG1 VAL 28 -4.147 6.820 5.361 243 HG13 VAL 28 3HG1 VAL 28 -3.162 5.787 6.398 244 HG21 VAL 28 3HG2 VAL 28 -5.742 4.453 4.105 245 HG22 VAL 28 1HG2 VAL 28 -4.648 4.125 2.759 246 HG23 VAL 28 2HG2 VAL 28 -5.088 5.786 3.153 247 H ASP 29 H ASP 29 -1.028 7.398 4.471 248 HA ASP 29 HA ASP 29 1.213 6.012 5.581 249 HB2 ASP 29 2HB ASP 29 1.210 8.305 4.479 250 HB3 ASP 29 3HB ASP 29 0.496 8.927 5.962 251 HA PRO 30 HA PRO 30 -0.723 5.454 9.648 252 HB2 PRO 30 2HB PRO 30 1.862 4.269 10.407 253 HB3 PRO 30 3HB PRO 30 0.265 3.520 10.340 254 HG2 PRO 30 2HG PRO 30 2.214 2.912 8.570 255 HG3 PRO 30 3HG PRO 30 0.495 2.910 8.126 256 HD2 PRO 30 2HD PRO 30 2.584 5.000 7.609 257 HD3 PRO 30 3HD PRO 30 1.322 4.382 6.523 258 H GLU 31 H GLU 31 2.387 6.979 9.022 259 HA GLU 31 HA GLU 31 2.705 7.866 11.780 260 HB2 GLU 31 2HB GLU 31 4.408 8.435 9.341 261 HB3 GLU 31 3HB GLU 31 4.838 8.804 11.006 262 HG2 GLU 31 2HG GLU 31 4.841 6.411 11.532 263 HG3 GLU 31 3HG GLU 31 4.412 6.048 9.862 264 H THR 32 H THR 32 2.140 9.363 8.601 265 HA THR 32 HA THR 32 1.737 11.979 9.916 266 HB THR 32 HB THR 32 1.894 12.940 7.608 267 HG1 THR 32 HG1 THR 32 2.974 10.470 6.764 268 HG21 THR 32 3HG2 THR 32 4.325 12.622 7.372 269 HG22 THR 32 1HG2 THR 32 4.254 11.271 8.503 270 HG23 THR 32 2HG2 THR 32 3.864 12.904 9.052 271 H GLY 33 H GLY 33 -0.001 9.443 8.422 272 HA2 GLY 33 2HA GLY 33 -2.273 9.154 8.216 273 HA3 GLY 33 3HA GLY 33 -2.492 10.718 8.976 274 H LYS 34 H LYS 34 -0.594 10.414 6.046 275 HA LYS 34 HA LYS 34 -2.701 11.846 4.575 276 HB2 LYS 34 2HB LYS 34 -0.951 12.419 2.945 277 HB3 LYS 34 3HB LYS 34 -0.519 12.932 4.569 278 HG2 LYS 34 2HG LYS 34 1.019 11.080 4.797 279 HG3 LYS 34 3HG LYS 34 0.512 10.429 3.236 280 HD2 LYS 34 2HD LYS 34 1.394 12.388 2.096 281 HD3 LYS 34 3HD LYS 34 1.817 13.129 3.640 282 HE2 LYS 34 2HE LYS 34 2.977 10.552 2.566 283 HE3 LYS 34 3HE LYS 34 3.764 12.128 2.498 284 HZ1 LYS 34 3HZ LYS 34 3.090 10.563 4.923 285 HZ2 LYS 34 1HZ LYS 34 3.615 12.170 4.966 286 HZ3 LYS 34 2HZ LYS 34 4.628 10.964 4.355 287 H VAL 35 H VAL 35 -3.487 11.140 2.576 288 HA VAL 35 HA VAL 35 -2.972 8.294 1.950 289 HB VAL 35 HB VAL 35 -5.439 9.938 1.315 290 HG11 VAL 35 1HG1 VAL 35 -4.926 6.979 0.944 291 HG12 VAL 35 2HG1 VAL 35 -5.041 8.182 -0.342 292 HG13 VAL 35 3HG1 VAL 35 -6.453 7.810 0.647 293 HG21 VAL 35 3HG2 VAL 35 -6.560 8.551 3.010 294 HG22 VAL 35 1HG2 VAL 35 -5.256 9.513 3.707 295 HG23 VAL 35 2HG2 VAL 35 -5.018 7.792 3.403 296 H GLU 36 H GLU 36 -2.266 7.730 -0.038 297 HA GLU 36 HA GLU 36 -2.409 9.603 -2.282 298 HB2 GLU 36 2HB GLU 36 -0.312 10.190 -1.156 299 HB3 GLU 36 3HB GLU 36 0.199 8.510 -1.185 300 HG2 GLU 36 2HG GLU 36 1.377 9.665 -2.898 301 HG3 GLU 36 3HG GLU 36 0.196 8.613 -3.674 302 H ILE 37 H ILE 37 -2.521 8.571 -4.264 303 HA ILE 37 HA ILE 37 -2.689 5.657 -4.227 304 HB ILE 37 HB ILE 37 -3.178 7.594 -6.506 305 HG12 ILE 37 2HG1 ILE 37 -5.115 6.129 -4.685 306 HG13 ILE 37 3HG1 ILE 37 -4.784 7.858 -4.654 307 HG21 ILE 37 1HG2 ILE 37 -4.283 5.674 -7.604 308 HG22 ILE 37 2HG2 ILE 37 -3.741 4.631 -6.289 309 HG23 ILE 37 3HG2 ILE 37 -2.559 5.400 -7.349 310 HD11 ILE 37 3HD1 ILE 37 -6.878 7.385 -5.767 311 HD12 ILE 37 1HD1 ILE 37 -6.053 6.339 -6.921 312 HD13 ILE 37 2HD1 ILE 37 -5.717 8.071 -6.900 313 H ALA 38 H ALA 38 -1.119 4.310 -4.866 314 HA ALA 38 HA ALA 38 1.191 5.420 -6.354 315 HB1 ALA 38 3HB ALA 38 2.658 4.015 -5.041 316 HB2 ALA 38 1HB ALA 38 1.278 3.313 -4.197 317 HB3 ALA 38 2HB ALA 38 1.680 5.013 -3.966 318 H GLU 39 H GLU 39 2.325 4.002 -7.774 319 HA GLU 39 HA GLU 39 0.749 1.765 -8.809 320 HB2 GLU 39 2HB GLU 39 3.309 3.028 -9.828 321 HB3 GLU 39 3HB GLU 39 2.513 1.661 -10.591 322 HG2 GLU 39 2HG GLU 39 1.855 3.510 -11.846 323 HG3 GLU 39 3HG GLU 39 0.472 3.163 -10.811 324 H ILE 40 H ILE 40 1.265 -0.355 -8.546 325 HA ILE 40 HA ILE 40 3.296 -1.000 -6.581 326 HB ILE 40 HB ILE 40 1.404 -2.853 -8.049 327 HG12 ILE 40 2HG1 ILE 40 1.180 -1.617 -5.287 328 HG13 ILE 40 3HG1 ILE 40 0.215 -1.168 -6.689 329 HG21 ILE 40 1HG2 ILE 40 3.094 -3.318 -5.585 330 HG22 ILE 40 2HG2 ILE 40 3.344 -4.039 -7.175 331 HG23 ILE 40 3HG2 ILE 40 1.907 -4.446 -6.241 332 HD11 ILE 40 3HD1 ILE 40 -0.739 -3.431 -6.729 333 HD12 ILE 40 1HD1 ILE 40 -1.052 -2.586 -5.213 334 HD13 ILE 40 2HD1 ILE 40 0.194 -3.832 -5.287 335 H ARG 41 H ARG 41 5.342 -1.324 -7.159 336 HA ARG 41 HA ARG 41 6.154 -1.954 -9.835 337 HB2 ARG 41 2HB ARG 41 7.730 -1.860 -7.250 338 HB3 ARG 41 3HB ARG 41 8.447 -2.059 -8.843 339 HG2 ARG 41 2HG ARG 41 7.621 0.131 -9.514 340 HG3 ARG 41 3HG ARG 41 6.835 0.329 -7.946 341 HD2 ARG 41 2HD ARG 41 8.953 1.548 -8.029 342 HD3 ARG 41 3HD ARG 41 9.012 0.253 -6.835 343 HE ARG 41 HE ARG 41 10.120 -0.981 -8.892 344 HH11 ARG 41 1HH1 ARG 41 10.611 2.251 -7.821 345 HH12 ARG 41 2HH1 ARG 41 12.266 2.289 -8.319 346 HH21 ARG 41 1HH2 ARG 41 12.259 -0.917 -9.546 347 HH22 ARG 41 2HH2 ARG 41 13.182 0.522 -9.276 348 H ASN 42 H ASN 42 6.142 -3.765 -6.764 349 HA ASN 42 HA ASN 42 6.113 -6.268 -8.306 350 HB2 ASN 42 2HB ASN 42 8.480 -5.629 -7.468 351 HB3 ASN 42 3HB ASN 42 7.875 -6.017 -5.864 352 HD21 ASN 42 1HD2 ASN 42 9.971 -7.328 -7.381 353 HD22 ASN 42 2HD2 ASN 42 9.484 -8.977 -7.551 354 H VAL 43 H VAL 43 4.898 -7.914 -7.372 355 HA VAL 43 HA VAL 43 3.311 -7.092 -5.023 356 HB VAL 43 HB VAL 43 2.512 -9.220 -7.012 357 HG11 VAL 43 1HG1 VAL 43 0.250 -8.759 -6.210 358 HG12 VAL 43 2HG1 VAL 43 0.893 -7.558 -5.087 359 HG13 VAL 43 3HG1 VAL 43 1.316 -9.261 -4.895 360 HG21 VAL 43 3HG2 VAL 43 2.861 -7.173 -8.273 361 HG22 VAL 43 1HG2 VAL 43 1.858 -6.276 -7.134 362 HG23 VAL 43 2HG2 VAL 43 1.137 -7.530 -8.145 363 H VAL 44 H VAL 44 5.824 -9.183 -5.730 364 HA VAL 44 HA VAL 44 4.995 -11.558 -4.432 365 HB VAL 44 HB VAL 44 6.946 -11.552 -5.901 366 HG11 VAL 44 1HG1 VAL 44 9.092 -10.631 -5.212 367 HG12 VAL 44 2HG1 VAL 44 8.358 -9.975 -3.750 368 HG13 VAL 44 3HG1 VAL 44 7.877 -9.359 -5.332 369 HG21 VAL 44 3HG2 VAL 44 6.741 -13.323 -4.243 370 HG22 VAL 44 1HG2 VAL 44 7.632 -12.350 -3.068 371 HG23 VAL 44 2HG2 VAL 44 8.438 -12.931 -4.527 372 H GLU 45 H GLU 45 4.205 -11.541 -2.449 373 HA GLU 45 HA GLU 45 4.845 -9.650 -0.446 374 HB2 GLU 45 2HB GLU 45 3.464 -11.067 1.040 375 HB3 GLU 45 3HB GLU 45 2.675 -10.737 -0.499 376 HG2 GLU 45 2HG GLU 45 3.315 -12.957 -1.307 377 HG3 GLU 45 3HG GLU 45 4.110 -13.287 0.230 378 H ASN 46 H ASN 46 5.772 -10.065 1.672 379 HA ASN 46 HA ASN 46 8.312 -11.397 1.402 380 HB2 ASN 46 2HB ASN 46 8.794 -10.408 3.618 381 HB3 ASN 46 3HB ASN 46 8.227 -9.221 2.450 382 HD21 ASN 46 1HD2 ASN 46 8.212 -9.045 5.310 383 HD22 ASN 46 2HD2 ASN 46 6.566 -8.841 5.790 384 H THR 47 H THR 47 6.247 -13.297 1.350 385 HA THR 47 HA THR 47 5.776 -14.569 3.827 386 HB THR 47 HB THR 47 4.330 -15.206 2.077 387 HG1 THR 47 HG1 THR 47 4.369 -17.177 2.817 388 HG21 THR 47 3HG2 THR 47 5.012 -16.203 -0.030 389 HG22 THR 47 1HG2 THR 47 6.705 -16.150 0.455 390 HG23 THR 47 2HG2 THR 47 5.821 -14.650 0.174 391 H ALA 48 H ALA 48 8.137 -15.419 1.280 392 HA ALA 48 HA ALA 48 10.141 -16.465 1.317 393 HB1 ALA 48 3HB ALA 48 11.518 -16.377 3.298 394 HB2 ALA 48 1HB ALA 48 10.113 -15.988 4.295 395 HB3 ALA 48 2HB ALA 48 10.679 -14.840 3.081 396 H ASN 49 H ASN 49 7.435 -17.840 2.603 397 HA ASN 49 HA ASN 49 8.744 -20.460 2.613 398 HB2 ASN 49 2HB ASN 49 7.358 -21.189 4.573 399 HB3 ASN 49 3HB ASN 49 8.598 -20.006 4.961 400 HD21 ASN 49 1HD2 ASN 49 7.952 -17.860 5.424 401 HD22 ASN 49 2HD2 ASN 49 6.337 -17.502 5.911 402 HA PRO 50 HA PRO 50 4.939 -20.587 -0.063 403 HB2 PRO 50 2HB PRO 50 6.767 -22.165 -1.773 404 HB3 PRO 50 3HB PRO 50 5.747 -20.785 -2.197 405 HG2 PRO 50 2HG PRO 50 8.415 -20.552 -2.053 406 HG3 PRO 50 3HG PRO 50 7.341 -19.234 -1.548 407 HD2 PRO 50 2HD PRO 50 8.796 -21.248 0.144 408 HD3 PRO 50 3HD PRO 50 8.610 -19.497 0.392 409 H HIS 51 H HIS 51 3.665 -22.043 0.970 410 HA HIS 51 HA HIS 51 4.673 -24.512 2.020 411 HB2 HIS 51 2HB HIS 51 1.820 -23.511 1.806 412 HB3 HIS 51 3HB HIS 51 2.355 -24.876 2.783 413 HD1 HIS 51 HD1 HIS 51 3.242 -24.359 5.096 414 HD2 HIS 51 HD2 HIS 51 2.806 -20.954 2.748 415 HE1 HIS 51 HE1 HIS 51 3.667 -22.418 6.630 416 HE2 HIS 51 HE2 HIS 51 3.625 -20.401 5.134 417 H PHE 52 H PHE 52 2.572 -23.681 -0.721 418 HA PHE 52 HA PHE 52 3.232 -26.287 -1.896 419 HB2 PHE 52 2HB PHE 52 0.901 -26.611 -2.676 420 HB3 PHE 52 3HB PHE 52 1.054 -26.666 -0.925 421 HD1 PHE 52 HD2 PHE 52 0.297 -24.701 0.433 422 HD2 PHE 52 HD1 PHE 52 -0.499 -25.021 -3.739 423 HE1 PHE 52 HE2 PHE 52 -1.481 -23.015 0.645 424 HE2 PHE 52 HE1 PHE 52 -2.279 -23.337 -3.531 425 HZ PHE 52 HZ PHE 52 -2.773 -22.332 -1.337 426 H VAL 53 H VAL 53 2.643 -22.931 -2.286 427 HA VAL 53 HA VAL 53 3.668 -23.037 -4.991 428 HB VAL 53 HB VAL 53 1.175 -23.321 -5.243 429 HG11 VAL 53 1HG1 VAL 53 -0.269 -21.361 -4.924 430 HG12 VAL 53 2HG1 VAL 53 1.084 -20.480 -4.214 431 HG13 VAL 53 3HG1 VAL 53 0.435 -21.905 -3.402 432 HG21 VAL 53 3HG2 VAL 53 2.524 -22.472 -7.081 433 HG22 VAL 53 1HG2 VAL 53 2.380 -20.830 -6.454 434 HG23 VAL 53 2HG2 VAL 53 0.954 -21.674 -7.055 435 H ARG 54 H ARG 54 4.378 -20.938 -5.772 436 HA ARG 54 HA ARG 54 5.352 -19.244 -3.719 437 HB2 ARG 54 2HB ARG 54 6.347 -17.891 -5.424 438 HB3 ARG 54 3HB ARG 54 6.519 -19.570 -5.898 439 HG2 ARG 54 2HG ARG 54 4.394 -17.728 -6.995 440 HG3 ARG 54 3HG ARG 54 5.965 -17.985 -7.750 441 HD2 ARG 54 2HD ARG 54 5.075 -20.554 -7.420 442 HD3 ARG 54 3HD ARG 54 3.568 -19.691 -7.736 443 HE ARG 54 HE ARG 54 5.885 -19.444 -9.535 444 HH11 ARG 54 1HH1 ARG 54 2.527 -20.105 -9.075 445 HH12 ARG 54 2HH1 ARG 54 2.244 -20.329 -10.763 446 HH21 ARG 54 1HH2 ARG 54 5.496 -19.724 -11.681 447 HH22 ARG 54 2HH2 ARG 54 3.902 -20.124 -12.220 448 H ARG 55 H ARG 55 4.679 -17.275 -2.957 449 HA ARG 55 HA ARG 55 1.891 -16.616 -3.618 450 HB2 ARG 55 2HB ARG 55 3.493 -16.269 -1.094 451 HB3 ARG 55 3HB ARG 55 1.951 -15.459 -1.337 452 HG2 ARG 55 2HG ARG 55 0.901 -17.692 -1.689 453 HG3 ARG 55 3HG ARG 55 2.446 -18.433 -1.263 454 HD2 ARG 55 2HD ARG 55 0.829 -18.300 0.632 455 HD3 ARG 55 3HD ARG 55 2.366 -17.487 0.940 456 HE ARG 55 HE ARG 55 0.872 -15.464 0.045 457 HH11 ARG 55 1HH1 ARG 55 0.177 -17.867 2.422 458 HH12 ARG 55 2HH1 ARG 55 -0.846 -16.807 3.329 459 HH21 ARG 55 1HH2 ARG 55 -0.387 -14.131 1.235 460 HH22 ARG 55 2HH2 ARG 55 -1.158 -14.724 2.670 461 H ASN 56 H ASN 56 1.394 -14.814 -4.558 462 HA ASN 56 HA ASN 56 2.741 -12.305 -3.894 463 HB2 ASN 56 2HB ASN 56 2.833 -11.611 -6.258 464 HB3 ASN 56 3HB ASN 56 3.830 -13.035 -5.980 465 HD21 ASN 56 1HD2 ASN 56 2.786 -12.135 -8.473 466 HD22 ASN 56 2HD2 ASN 56 1.742 -13.377 -9.072 467 H ILE 57 H ILE 57 0.380 -13.303 -2.913 468 HA ILE 57 HA ILE 57 -1.849 -12.426 -4.587 469 HB ILE 57 HB ILE 57 -1.881 -13.818 -1.899 470 HG12 ILE 57 2HG1 ILE 57 -2.257 -14.974 -4.682 471 HG13 ILE 57 3HG1 ILE 57 -0.824 -15.183 -3.680 472 HG21 ILE 57 1HG2 ILE 57 -4.230 -14.338 -2.446 473 HG22 ILE 57 2HG2 ILE 57 -4.100 -13.344 -3.898 474 HG23 ILE 57 3HG2 ILE 57 -3.945 -12.604 -2.306 475 HD11 ILE 57 3HD1 ILE 57 -2.157 -16.386 -2.025 476 HD12 ILE 57 1HD1 ILE 57 -2.239 -17.150 -3.614 477 HD13 ILE 57 2HD1 ILE 57 -3.592 -16.179 -3.033 478 H ILE 58 H ILE 58 -2.603 -10.420 -4.409 479 HA ILE 58 HA ILE 58 -2.019 -8.680 -2.236 480 HB ILE 58 HB ILE 58 -4.149 -8.357 -4.367 481 HG12 ILE 58 2HG1 ILE 58 -1.282 -7.349 -4.331 482 HG13 ILE 58 3HG1 ILE 58 -1.865 -8.690 -5.309 483 HG21 ILE 58 1HG2 ILE 58 -3.940 -5.948 -3.871 484 HG22 ILE 58 2HG2 ILE 58 -2.818 -6.324 -2.564 485 HG23 ILE 58 3HG2 ILE 58 -4.495 -6.866 -2.472 486 HD11 ILE 58 3HD1 ILE 58 -2.709 -5.808 -5.539 487 HD12 ILE 58 1HD1 ILE 58 -3.366 -7.141 -6.491 488 HD13 ILE 58 2HD1 ILE 58 -1.664 -6.698 -6.646 489 H THR 59 H THR 59 -2.731 -9.723 -0.356 490 HA THR 59 HA THR 59 -5.647 -9.610 0.102 491 HB THR 59 HB THR 59 -5.081 -11.975 -0.204 492 HG1 THR 59 HG1 THR 59 -5.802 -12.692 1.926 493 HG21 THR 59 3HG2 THR 59 -2.702 -11.880 0.445 494 HG22 THR 59 1HG2 THR 59 -3.566 -13.137 1.332 495 HG23 THR 59 2HG2 THR 59 -3.177 -11.608 2.123 496 H ARG 60 H ARG 60 -6.060 -9.876 2.607 497 HA ARG 60 HA ARG 60 -5.035 -7.545 3.788 498 HB2 ARG 60 2HB ARG 60 -7.208 -8.687 4.361 499 HB3 ARG 60 3HB ARG 60 -6.282 -9.882 5.260 500 HG2 ARG 60 2HG ARG 60 -5.413 -8.045 6.701 501 HG3 ARG 60 3HG ARG 60 -6.479 -6.928 5.848 502 HD2 ARG 60 2HD ARG 60 -8.406 -8.390 6.532 503 HD3 ARG 60 3HD ARG 60 -7.279 -9.301 7.538 504 HE ARG 60 HE ARG 60 -7.881 -6.438 7.912 505 HH11 ARG 60 1HH1 ARG 60 -7.098 -9.533 9.203 506 HH12 ARG 60 2HH1 ARG 60 -7.212 -8.993 10.841 507 HH21 ARG 60 1HH2 ARG 60 -8.015 -5.759 10.007 508 HH22 ARG 60 2HH2 ARG 60 -7.699 -6.875 11.289 509 H GLY 61 H GLY 61 -3.043 -7.182 4.550 510 HA2 GLY 61 2HA GLY 61 -1.366 -7.588 6.222 511 HA3 GLY 61 3HA GLY 61 -1.678 -9.309 6.080 512 H ALA 62 H ALA 62 -1.660 -8.597 2.983 513 HA ALA 62 HA ALA 62 1.021 -9.499 2.553 514 HB1 ALA 62 3HB ALA 62 0.480 -9.325 0.169 515 HB2 ALA 62 1HB ALA 62 -1.015 -8.482 0.568 516 HB3 ALA 62 2HB ALA 62 -0.790 -10.160 1.060 517 H VAL 63 H VAL 63 2.810 -8.404 1.847 518 HA VAL 63 HA VAL 63 2.653 -5.451 1.842 519 HB VAL 63 HB VAL 63 5.054 -7.200 2.449 520 HG11 VAL 63 1HG1 VAL 63 5.694 -5.046 1.495 521 HG12 VAL 63 2HG1 VAL 63 6.111 -5.114 3.208 522 HG13 VAL 63 3HG1 VAL 63 4.694 -4.206 2.681 523 HG21 VAL 63 3HG2 VAL 63 3.342 -7.370 4.198 524 HG22 VAL 63 1HG2 VAL 63 3.305 -5.612 4.340 525 HG23 VAL 63 2HG2 VAL 63 4.764 -6.503 4.778 526 H VAL 64 H VAL 64 2.901 -4.504 -0.091 527 HA VAL 64 HA VAL 64 4.521 -5.870 -2.161 528 HB VAL 64 HB VAL 64 3.198 -4.702 -3.854 529 HG11 VAL 64 1HG1 VAL 64 1.482 -6.176 -1.848 530 HG12 VAL 64 2HG1 VAL 64 2.432 -6.900 -3.144 531 HG13 VAL 64 3HG1 VAL 64 1.053 -5.874 -3.531 532 HG21 VAL 64 3HG2 VAL 64 1.630 -3.582 -1.519 533 HG22 VAL 64 1HG2 VAL 64 1.172 -3.436 -3.218 534 HG23 VAL 64 2HG2 VAL 64 2.651 -2.669 -2.634 535 H GLU 65 H GLU 65 5.726 -4.489 -3.654 536 HA GLU 65 HA GLU 65 6.760 -2.061 -2.350 537 HB2 GLU 65 2HB GLU 65 8.434 -3.728 -3.029 538 HB3 GLU 65 3HB GLU 65 7.864 -3.650 -4.686 539 HG2 GLU 65 2HG GLU 65 9.822 -2.362 -4.647 540 HG3 GLU 65 3HG GLU 65 8.506 -1.194 -4.667 541 H THR 66 H THR 66 6.268 -0.092 -3.088 542 HA THR 66 HA THR 66 5.150 0.210 -5.819 543 HB THR 66 HB THR 66 3.601 1.894 -5.041 544 HG1 THR 66 HG1 THR 66 4.380 1.435 -2.352 545 HG21 THR 66 3HG2 THR 66 2.830 -0.427 -4.859 546 HG22 THR 66 1HG2 THR 66 2.135 0.578 -3.586 547 HG23 THR 66 2HG2 THR 66 3.470 -0.514 -3.217 548 H ASN 67 H ASN 67 5.078 2.755 -6.317 549 HA ASN 67 HA ASN 67 7.790 3.621 -6.391 550 HB2 ASN 67 2HB ASN 67 6.871 5.714 -7.395 551 HB3 ASN 67 3HB ASN 67 6.312 4.248 -8.191 552 HD21 ASN 67 1HD2 ASN 67 5.171 6.965 -8.013 553 HD22 ASN 67 2HD2 ASN 67 3.563 6.737 -7.430 554 H LEU 68 H LEU 68 5.346 4.010 -4.017 555 HA LEU 68 HA LEU 68 6.727 6.259 -2.733 556 HB2 LEU 68 2HB LEU 68 4.242 4.759 -1.883 557 HB3 LEU 68 3HB LEU 68 4.886 6.190 -1.101 558 HG LEU 68 HG LEU 68 3.733 6.048 -3.896 559 HD11 LEU 68 1HD1 LEU 68 1.970 7.478 -2.974 560 HD12 LEU 68 2HD1 LEU 68 2.704 7.352 -1.375 561 HD13 LEU 68 3HD1 LEU 68 2.039 5.916 -2.158 562 HD21 LEU 68 3HD2 LEU 68 5.567 7.660 -3.798 563 HD22 LEU 68 1HD2 LEU 68 4.830 8.424 -2.388 564 HD23 LEU 68 2HD2 LEU 68 4.013 8.476 -3.950 565 H GLY 69 H GLY 69 6.543 2.824 -2.589 566 HA2 GLY 69 2HA GLY 69 8.488 1.925 -1.175 567 HA3 GLY 69 3HA GLY 69 7.676 2.761 0.143 568 H ASN 70 H ASN 70 7.400 0.740 1.265 569 HA ASN 70 HA ASN 70 5.908 -1.379 -0.016 570 HB2 ASN 70 2HB ASN 70 6.943 -1.053 2.802 571 HB3 ASN 70 3HB ASN 70 6.018 -2.455 2.272 572 HD21 ASN 70 1HD2 ASN 70 7.199 -2.441 -0.398 573 HD22 ASN 70 2HD2 ASN 70 8.806 -3.029 -0.197 574 H VAL 71 H VAL 71 3.801 -1.782 0.107 575 HA VAL 71 HA VAL 71 2.175 -0.224 2.019 576 HB VAL 71 HB VAL 71 1.257 -1.164 -0.709 577 HG11 VAL 71 1HG1 VAL 71 -0.004 0.718 1.297 578 HG12 VAL 71 2HG1 VAL 71 -0.546 -0.918 0.916 579 HG13 VAL 71 3HG1 VAL 71 -0.641 0.351 -0.306 580 HG21 VAL 71 3HG2 VAL 71 2.986 0.520 -0.997 581 HG22 VAL 71 1HG2 VAL 71 2.178 1.584 0.154 582 HG23 VAL 71 2HG2 VAL 71 1.409 1.207 -1.389 583 H ARG 72 H ARG 72 1.258 -1.498 3.517 584 HA ARG 72 HA ARG 72 0.905 -4.352 2.988 585 HB2 ARG 72 2HB ARG 72 1.894 -3.502 5.155 586 HB3 ARG 72 3HB ARG 72 0.306 -2.867 5.559 587 HG2 ARG 72 2HG ARG 72 -0.622 -5.137 5.460 588 HG3 ARG 72 3HG ARG 72 0.973 -5.770 5.055 589 HD2 ARG 72 2HD ARG 72 1.789 -4.773 7.225 590 HD3 ARG 72 3HD ARG 72 0.102 -4.458 7.629 591 HE ARG 72 HE ARG 72 1.243 -7.148 7.187 592 HH11 ARG 72 1HH1 ARG 72 -1.057 -5.074 8.717 593 HH12 ARG 72 2HH1 ARG 72 -1.656 -6.331 9.742 594 HH21 ARG 72 1HH2 ARG 72 0.497 -8.721 8.513 595 HH22 ARG 72 2HH2 ARG 72 -0.766 -8.378 9.650 596 H VAL 73 H VAL 73 -0.939 -5.082 2.194 597 HA VAL 73 HA VAL 73 -3.170 -3.456 1.679 598 HB VAL 73 HB VAL 73 -3.092 -6.481 1.712 599 HG11 VAL 73 1HG1 VAL 73 -4.927 -4.584 0.235 600 HG12 VAL 73 2HG1 VAL 73 -5.368 -5.582 1.621 601 HG13 VAL 73 3HG1 VAL 73 -4.924 -6.344 0.095 602 HG21 VAL 73 3HG2 VAL 73 -1.293 -5.542 0.333 603 HG22 VAL 73 1HG2 VAL 73 -2.469 -4.565 -0.546 604 HG23 VAL 73 2HG2 VAL 73 -2.520 -6.326 -0.663 605 H THR 74 H THR 74 -4.686 -2.735 3.018 606 HA THR 74 HA THR 74 -5.238 -4.148 5.534 607 HB THR 74 HB THR 74 -6.430 -2.104 6.219 608 HG1 THR 74 HG1 THR 74 -5.999 -0.239 4.665 609 HG21 THR 74 3HG2 THR 74 -4.025 -2.245 6.666 610 HG22 THR 74 1HG2 THR 74 -4.502 -0.584 6.323 611 HG23 THR 74 2HG2 THR 74 -3.679 -1.537 5.089 612 H SER 75 H SER 75 -6.974 -2.757 2.761 613 HA SER 75 HA SER 75 -9.396 -4.249 3.532 614 HB2 SER 75 2HB SER 75 -9.048 -2.027 1.492 615 HB3 SER 75 3HB SER 75 -10.577 -2.794 1.917 616 HG SER 75 HG SER 75 -10.093 -0.751 3.008 617 H ARG 76 H ARG 76 -10.297 -5.807 2.249 618 HA ARG 76 HA ARG 76 -8.624 -7.209 0.455 619 HB2 ARG 76 2HB ARG 76 -11.582 -7.439 1.033 620 HB3 ARG 76 3HB ARG 76 -10.725 -8.539 -0.040 621 HG2 ARG 76 2HG ARG 76 -9.318 -9.290 1.775 622 HG3 ARG 76 3HG ARG 76 -10.041 -8.106 2.868 623 HD2 ARG 76 2HD ARG 76 -12.173 -9.212 2.748 624 HD3 ARG 76 3HD ARG 76 -11.593 -10.298 1.486 625 HE ARG 76 HE ARG 76 -9.932 -10.974 3.389 626 HH11 ARG 76 1HH1 ARG 76 -13.279 -10.216 3.752 627 HH12 ARG 76 2HH1 ARG 76 -13.495 -11.335 5.051 628 HH21 ARG 76 1HH2 ARG 76 -10.240 -12.389 5.078 629 HH22 ARG 76 2HH2 ARG 76 -11.809 -12.537 5.791 630 HA PRO 77 HA PRO 77 -9.083 -5.009 -3.393 631 HB2 PRO 77 2HB PRO 77 -8.923 -7.749 -4.571 632 HB3 PRO 77 3HB PRO 77 -7.992 -6.297 -4.958 633 HG2 PRO 77 2HG PRO 77 -6.920 -8.268 -3.529 634 HG3 PRO 77 3HG PRO 77 -6.564 -6.571 -3.153 635 HD2 PRO 77 2HD PRO 77 -8.350 -8.500 -1.729 636 HD3 PRO 77 3HD PRO 77 -7.335 -7.202 -1.067 637 H GLY 78 H GLY 78 -11.179 -4.311 -3.426 638 HA2 GLY 78 2HA GLY 78 -13.039 -5.150 -5.197 639 HA3 GLY 78 3HA GLY 78 -13.396 -6.138 -3.788 640 H GLN 79 H GLN 79 -12.600 -4.090 -1.879 641 HA GLN 79 HA GLN 79 -14.997 -2.678 -1.509 642 HB2 GLN 79 2HB GLN 79 -12.242 -1.997 -0.439 643 HB3 GLN 79 3HB GLN 79 -13.770 -1.409 0.203 644 HG2 GLN 79 2HG GLN 79 -12.916 -4.300 0.132 645 HG3 GLN 79 3HG GLN 79 -12.816 -3.242 1.538 646 HE21 GLN 79 1HE2 GLN 79 -14.318 -5.744 1.096 647 HE22 GLN 79 2HE2 GLN 79 -15.962 -5.352 1.462 648 H ASP 80 H ASP 80 -15.795 -1.110 -2.759 649 HA ASP 80 HA ASP 80 -16.006 0.678 -4.145 650 HB2 ASP 80 2HB ASP 80 -14.676 1.785 -2.293 651 HB3 ASP 80 3HB ASP 80 -13.228 1.508 -3.255 652 H GLY 81 H GLY 81 -14.454 -1.870 -4.871 653 HA2 GLY 81 2HA GLY 81 -13.633 -2.756 -6.834 654 HA3 GLY 81 3HA GLY 81 -13.835 -1.179 -7.584 655 H VAL 82 H VAL 82 -12.020 -0.803 -4.808 656 HA VAL 82 HA VAL 82 -9.492 -0.915 -6.342 657 HB VAL 82 HB VAL 82 -10.406 1.398 -6.109 658 HG11 VAL 82 1HG1 VAL 82 -9.942 0.965 -3.156 659 HG12 VAL 82 2HG1 VAL 82 -11.502 1.178 -3.951 660 HG13 VAL 82 3HG1 VAL 82 -10.341 2.505 -3.918 661 HG21 VAL 82 3HG2 VAL 82 -7.810 0.958 -4.623 662 HG22 VAL 82 1HG2 VAL 82 -8.328 2.450 -5.406 663 HG23 VAL 82 2HG2 VAL 82 -7.992 1.018 -6.377 664 H ILE 83 H ILE 83 -7.527 -0.835 -4.880 665 HA ILE 83 HA ILE 83 -7.944 -2.516 -2.494 666 HB ILE 83 HB ILE 83 -5.364 -2.056 -4.012 667 HG12 ILE 83 2HG1 ILE 83 -7.260 -4.413 -4.240 668 HG13 ILE 83 3HG1 ILE 83 -7.139 -3.120 -5.427 669 HG21 ILE 83 1HG2 ILE 83 -5.063 -2.798 -1.707 670 HG22 ILE 83 2HG2 ILE 83 -4.612 -4.079 -2.832 671 HG23 ILE 83 3HG2 ILE 83 -6.158 -4.155 -1.984 672 HD11 ILE 83 3HD1 ILE 83 -5.914 -5.077 -6.147 673 HD12 ILE 83 1HD1 ILE 83 -4.953 -5.043 -4.669 674 HD13 ILE 83 2HD1 ILE 83 -4.808 -3.737 -5.842 675 H ASN 84 H ASN 84 -7.509 -1.688 -0.501 676 HA ASN 84 HA ASN 84 -5.958 0.829 -0.330 677 HB2 ASN 84 2HB ASN 84 -8.142 -0.209 1.497 678 HB3 ASN 84 3HB ASN 84 -7.179 1.230 1.818 679 HD21 ASN 84 1HD2 ASN 84 -8.953 2.586 1.784 680 HD22 ASN 84 2HD2 ASN 84 -9.793 2.981 0.329 681 H GLY 85 H GLY 85 -4.278 1.010 1.113 682 HA2 GLY 85 2HA GLY 85 -3.787 -1.049 3.111 683 HA3 GLY 85 3HA GLY 85 -2.633 -1.011 1.789 684 H VAL 86 H VAL 86 -1.557 -0.642 4.204 685 HA VAL 86 HA VAL 86 -1.312 2.274 4.584 686 HB VAL 86 HB VAL 86 -0.028 1.519 6.733 687 HG11 VAL 86 1HG1 VAL 86 -2.146 1.504 7.983 688 HG12 VAL 86 2HG1 VAL 86 -3.026 1.307 6.468 689 HG13 VAL 86 3HG1 VAL 86 -2.087 2.774 6.762 690 HG21 VAL 86 3HG2 VAL 86 -1.668 -0.947 6.125 691 HG22 VAL 86 1HG2 VAL 86 -0.915 -0.590 7.678 692 HG23 VAL 86 2HG2 VAL 86 0.088 -0.849 6.252 693 H LEU 87 H LEU 87 0.671 3.275 4.853 694 HA LEU 87 HA LEU 87 2.767 2.245 3.157 695 HB2 LEU 87 2HB LEU 87 2.118 4.570 2.991 696 HB3 LEU 87 3HB LEU 87 2.444 4.822 4.697 697 HG LEU 87 HG LEU 87 4.861 4.388 4.254 698 HD11 LEU 87 1HD1 LEU 87 4.632 3.007 2.255 699 HD12 LEU 87 2HD1 LEU 87 5.684 4.390 1.956 700 HD13 LEU 87 3HD1 LEU 87 4.026 4.397 1.352 701 HD21 LEU 87 3HD2 LEU 87 5.306 6.531 3.138 702 HD22 LEU 87 1HD2 LEU 87 4.040 6.668 4.359 703 HD23 LEU 87 2HD2 LEU 87 3.614 6.620 2.646 704 H ILE 88 H ILE 88 4.084 0.739 4.039 705 HA ILE 88 HA ILE 88 5.391 1.412 6.604 706 HB ILE 88 HB ILE 88 5.715 -0.935 7.071 707 HG12 ILE 88 2HG1 ILE 88 4.394 -1.379 4.390 708 HG13 ILE 88 3HG1 ILE 88 6.007 -1.860 4.876 709 HG21 ILE 88 1HG2 ILE 88 2.833 -0.401 6.322 710 HG22 ILE 88 2HG2 ILE 88 3.619 0.089 7.823 711 HG23 ILE 88 3HG2 ILE 88 3.400 -1.623 7.463 712 HD11 ILE 88 3HD1 ILE 88 4.509 -3.760 4.787 713 HD12 ILE 88 1HD1 ILE 88 3.441 -2.994 5.961 714 HD13 ILE 88 2HD1 ILE 88 5.068 -3.476 6.435 715 H ARG 89 H ARG 89 7.599 0.099 6.714 716 HA ARG 89 HA ARG 89 9.008 0.497 4.152 717 HB2 ARG 89 2HB ARG 89 10.230 1.409 6.760 718 HB3 ARG 89 3HB ARG 89 10.707 1.832 5.124 719 HG2 ARG 89 2HG ARG 89 8.182 2.750 6.505 720 HG3 ARG 89 3HG ARG 89 9.651 3.702 6.313 721 HD2 ARG 89 2HD ARG 89 7.994 2.625 4.029 722 HD3 ARG 89 3HD ARG 89 7.858 4.257 4.677 723 HE ARG 89 HE ARG 89 10.531 3.756 3.952 724 HH11 ARG 89 1HH1 ARG 89 7.439 4.307 2.542 725 HH12 ARG 89 2HH1 ARG 89 8.090 4.995 1.097 726 HH21 ARG 89 1HH2 ARG 89 11.365 4.651 2.092 727 HH22 ARG 89 2HH2 ARG 89 10.288 5.193 0.850 728 H GLU 90 H GLU 90 8.794 -1.924 4.231 729 HA GLU 90 HA GLU 90 10.302 -3.331 6.266 730 HB2 GLU 90 2HB GLU 90 8.984 -4.434 3.777 731 HB3 GLU 90 3HB GLU 90 9.548 -5.363 5.160 732 HG2 GLU 90 2HG GLU 90 7.299 -3.356 5.154 733 HG3 GLU 90 3HG GLU 90 7.129 -5.107 5.198 734 H LEU 91 H LEU 91 10.519 -3.203 2.691 735 HA LEU 91 HA LEU 91 13.001 -4.506 2.502 736 HB2 LEU 91 2HB LEU 91 11.787 -2.497 0.594 737 HB3 LEU 91 3HB LEU 91 13.116 -3.579 0.221 738 HG LEU 91 HG LEU 91 10.275 -4.407 0.856 739 HD11 LEU 91 1HD1 LEU 91 10.214 -5.145 -1.483 740 HD12 LEU 91 2HD1 LEU 91 11.828 -4.477 -1.735 741 HD13 LEU 91 3HD1 LEU 91 10.480 -3.406 -1.349 742 HD21 LEU 91 3HD2 LEU 91 10.995 -6.675 0.304 743 HD22 LEU 91 1HD2 LEU 91 11.887 -6.048 1.688 744 HD23 LEU 91 2HD2 LEU 91 12.653 -6.113 0.102 745 H GLU 92 H GLU 92 15.097 -3.722 2.130 746 HA GLU 92 HA GLU 92 15.962 -1.900 4.024 747 HB2 GLU 92 2HB GLU 92 17.316 -3.719 3.002 748 HB3 GLU 92 3HB GLU 92 17.456 -2.761 1.538 749 HG2 GLU 92 2HG GLU 92 19.473 -2.577 2.856 750 HG3 GLU 92 3HG GLU 92 18.644 -1.023 2.789 751 H HIS 93 H HIS 93 16.771 -1.253 0.603 752 HA HIS 93 HA HIS 93 16.180 1.596 1.120 753 HB2 HIS 93 2HB HIS 93 18.213 0.363 -0.750 754 HB3 HIS 93 3HB HIS 93 17.799 2.072 -0.748 755 HD1 HIS 93 HD1 HIS 93 18.361 3.386 1.531 756 HD2 HIS 93 HD2 HIS 93 20.118 -0.358 1.091 757 HE1 HIS 93 HE1 HIS 93 20.226 3.315 3.209 758 HE2 HIS 93 HE2 HIS 93 21.147 0.981 3.054 759 H HIS 94 H HIS 94 14.429 2.360 0.140 760 HA HIS 94 HA HIS 94 13.222 0.872 -2.053 761 HB2 HIS 94 2HB HIS 94 12.247 3.307 -0.539 762 HB3 HIS 94 3HB HIS 94 11.314 2.430 -1.751 763 HD1 HIS 94 HD1 HIS 94 10.456 0.053 -1.101 764 HD2 HIS 94 HD2 HIS 94 12.413 2.078 1.956 765 HE1 HIS 94 HE1 HIS 94 10.008 -1.263 0.976 766 HE2 HIS 94 HE2 HIS 94 11.443 -0.184 2.735 767 H HIS 95 H HIS 95 15.706 2.669 -2.289 768 HA HIS 95 HA HIS 95 14.875 4.537 -4.361 769 HB2 HIS 95 2HB HIS 95 16.688 5.064 -2.699 770 HB3 HIS 95 3HB HIS 95 17.671 3.805 -3.433 771 HD1 HIS 95 HD1 HIS 95 16.124 7.158 -4.265 772 HD2 HIS 95 HD2 HIS 95 19.104 4.610 -5.636 773 HE1 HIS 95 HE1 HIS 95 17.354 8.449 -6.024 774 HE2 HIS 95 HE2 HIS 95 19.242 6.948 -6.726 775 H HIS 96 H HIS 96 14.437 1.652 -4.695 776 HA HIS 96 HA HIS 96 16.344 0.295 -6.167 777 HB2 HIS 96 2HB HIS 96 13.329 0.076 -6.243 778 HB3 HIS 96 3HB HIS 96 14.405 -1.066 -7.042 779 HD1 HIS 96 HD1 HIS 96 12.437 -1.051 -4.197 780 HD2 HIS 96 HD2 HIS 96 16.473 -1.867 -4.797 781 HE1 HIS 96 HE1 HIS 96 13.141 -2.453 -2.243 782 HE2 HIS 96 HE2 HIS 96 15.592 -2.878 -2.589 783 H HIS 97 H HIS 97 17.355 1.159 -7.878 784 HA HIS 97 HA HIS 97 16.109 2.717 -9.914 785 HB2 HIS 97 2HB HIS 97 18.542 2.810 -9.354 786 HB3 HIS 97 3HB HIS 97 18.732 1.197 -10.031 787 HD1 HIS 97 HD1 HIS 97 19.798 1.367 -12.261 788 HD2 HIS 97 HD2 HIS 97 17.159 4.505 -11.578 789 HE1 HIS 97 HE1 HIS 97 19.858 2.759 -14.345 790 HE2 HIS 97 HE2 HIS 97 18.398 4.739 -13.837 791 H HIS 98 H HIS 98 16.470 -0.683 -9.361 792 HA HIS 98 HA HIS 98 14.866 -1.173 -11.778 793 HB2 HIS 98 2HB HIS 98 16.044 -3.306 -12.195 794 HB3 HIS 98 3HB HIS 98 17.109 -1.917 -12.349 795 HD1 HIS 98 HD1 HIS 98 16.596 -5.035 -10.407 796 HD2 HIS 98 HD2 HIS 98 19.100 -1.725 -10.321 797 HE1 HIS 98 HE1 HIS 98 18.501 -5.676 -8.908 798 HE2 HIS 98 HE2 HIS 98 20.044 -3.686 -8.922 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -32.926 9.584 -21.832 2 H2 GLY 1 2H GLY 1 -32.511 7.973 -22.126 3 H3 GLY 1 3H GLY 1 -33.993 8.344 -21.401 4 HA2 GLY 1 2HA GLY 1 -34.272 7.753 -23.744 5 HA3 GLY 1 3HA GLY 1 -34.794 9.391 -23.390 6 H ASP 2 H ASP 2 -32.347 7.428 -24.968 7 HA ASP 2 HA ASP 2 -30.752 9.672 -25.813 8 HB2 ASP 2 2HB ASP 2 -30.687 6.774 -26.685 9 HB3 ASP 2 3HB ASP 2 -29.486 7.987 -27.116 10 H ARG 3 H ARG 3 -32.768 10.745 -26.773 11 HA ARG 3 HA ARG 3 -32.401 10.540 -29.635 12 HB2 ARG 3 2HB ARG 3 -34.825 10.555 -30.176 13 HB3 ARG 3 3HB ARG 3 -34.282 9.049 -29.464 14 HG2 ARG 3 2HG ARG 3 -35.587 11.173 -27.788 15 HG3 ARG 3 3HG ARG 3 -36.542 10.022 -28.723 16 HD2 ARG 3 2HD ARG 3 -35.456 8.171 -27.547 17 HD3 ARG 3 3HD ARG 3 -34.491 9.318 -26.619 18 HE ARG 3 HE ARG 3 -36.963 10.124 -26.035 19 HH11 ARG 3 1HH1 ARG 3 -35.623 6.953 -26.124 20 HH12 ARG 3 2HH1 ARG 3 -36.626 6.381 -24.836 21 HH21 ARG 3 1HH2 ARG 3 -38.252 9.366 -24.396 22 HH22 ARG 3 2HH2 ARG 3 -38.095 7.723 -23.878 23 H ARG 4 H ARG 4 -31.410 12.512 -29.453 24 HA ARG 4 HA ARG 4 -31.175 14.760 -29.419 25 HB2 ARG 4 2HB ARG 4 -34.172 14.771 -29.832 26 HB3 ARG 4 3HB ARG 4 -33.110 16.154 -30.058 27 HG2 ARG 4 2HG ARG 4 -31.903 14.840 -31.818 28 HG3 ARG 4 3HG ARG 4 -33.151 13.602 -31.661 29 HD2 ARG 4 2HD ARG 4 -33.611 16.488 -32.426 30 HD3 ARG 4 3HD ARG 4 -33.586 15.122 -33.537 31 HE ARG 4 HE ARG 4 -35.573 14.283 -32.318 32 HH11 ARG 4 1HH1 ARG 4 -34.781 17.622 -32.101 33 HH12 ARG 4 2HH1 ARG 4 -36.418 18.113 -31.845 34 HH21 ARG 4 1HH2 ARG 4 -37.671 14.912 -32.013 35 HH22 ARG 4 2HH2 ARG 4 -38.042 16.592 -31.806 36 H VAL 5 H VAL 5 -30.479 14.832 -27.275 37 HA VAL 5 HA VAL 5 -32.445 15.836 -25.312 38 HB VAL 5 HB VAL 5 -30.853 15.166 -23.556 39 HG11 VAL 5 1HG1 VAL 5 -32.562 13.574 -24.199 40 HG12 VAL 5 2HG1 VAL 5 -31.069 12.718 -23.809 41 HG13 VAL 5 3HG1 VAL 5 -31.537 12.951 -25.495 42 HG21 VAL 5 3HG2 VAL 5 -28.763 15.418 -24.806 43 HG22 VAL 5 1HG2 VAL 5 -29.188 14.038 -25.819 44 HG23 VAL 5 2HG2 VAL 5 -28.877 13.808 -24.099 45 H ARG 6 H ARG 6 -31.075 17.197 -23.535 46 HA ARG 6 HA ARG 6 -30.444 19.650 -24.720 47 HB2 ARG 6 2HB ARG 6 -29.560 18.647 -22.001 48 HB3 ARG 6 3HB ARG 6 -29.614 20.330 -22.512 49 HG2 ARG 6 2HG ARG 6 -32.051 20.172 -22.771 50 HG3 ARG 6 3HG ARG 6 -31.994 18.491 -22.241 51 HD2 ARG 6 2HD ARG 6 -32.659 19.879 -20.388 52 HD3 ARG 6 3HD ARG 6 -31.041 19.251 -20.080 53 HE ARG 6 HE ARG 6 -30.392 21.583 -21.093 54 HH11 ARG 6 1HH1 ARG 6 -32.976 20.899 -18.907 55 HH12 ARG 6 2HH1 ARG 6 -32.918 22.479 -18.203 56 HH21 ARG 6 1HH2 ARG 6 -30.347 23.589 -20.172 57 HH22 ARG 6 2HH2 ARG 6 -31.467 23.975 -18.906 58 H LEU 7 H LEU 7 -28.636 20.508 -25.592 59 HA LEU 7 HA LEU 7 -26.439 18.685 -26.119 60 HB2 LEU 7 2HB LEU 7 -27.723 20.480 -27.676 61 HB3 LEU 7 3HB LEU 7 -26.371 21.467 -27.166 62 HG LEU 7 HG LEU 7 -26.161 18.809 -28.606 63 HD11 LEU 7 1HD1 LEU 7 -25.689 21.617 -29.606 64 HD12 LEU 7 2HD1 LEU 7 -27.037 20.568 -30.042 65 HD13 LEU 7 3HD1 LEU 7 -25.396 20.132 -30.513 66 HD21 LEU 7 3HD2 LEU 7 -24.003 20.768 -27.799 67 HD22 LEU 7 1HD2 LEU 7 -23.769 19.364 -28.842 68 HD23 LEU 7 2HD2 LEU 7 -24.241 19.142 -27.160 69 H ILE 8 H ILE 8 -26.365 19.312 -23.469 70 HA ILE 8 HA ILE 8 -24.311 21.292 -22.997 71 HB ILE 8 HB ILE 8 -25.869 20.874 -21.206 72 HG12 ILE 8 2HG1 ILE 8 -23.159 19.717 -20.478 73 HG13 ILE 8 3HG1 ILE 8 -23.556 21.430 -20.546 74 HG21 ILE 8 1HG2 ILE 8 -26.030 18.699 -20.066 75 HG22 ILE 8 2HG2 ILE 8 -24.941 18.003 -21.265 76 HG23 ILE 8 3HG2 ILE 8 -26.521 18.605 -21.757 77 HD11 ILE 8 3HD1 ILE 8 -24.726 19.407 -18.653 78 HD12 ILE 8 1HD1 ILE 8 -25.167 21.113 -18.731 79 HD13 ILE 8 2HD1 ILE 8 -23.533 20.646 -18.264 80 H ARG 9 H ARG 9 -22.114 20.911 -22.646 81 HA ARG 9 HA ARG 9 -20.862 18.993 -24.198 82 HB2 ARG 9 2HB ARG 9 -18.770 19.594 -23.031 83 HB3 ARG 9 3HB ARG 9 -19.708 21.001 -23.510 84 HG2 ARG 9 2HG ARG 9 -20.467 21.342 -21.256 85 HG3 ARG 9 3HG ARG 9 -19.721 19.832 -20.732 86 HD2 ARG 9 2HD ARG 9 -18.396 21.823 -20.112 87 HD3 ARG 9 3HD ARG 9 -17.514 20.714 -21.160 88 HE ARG 9 HE ARG 9 -18.692 22.615 -22.808 89 HH11 ARG 9 1HH1 ARG 9 -16.378 22.568 -20.255 90 HH12 ARG 9 2HH1 ARG 9 -15.490 23.908 -20.886 91 HH21 ARG 9 1HH2 ARG 9 -17.522 24.335 -23.611 92 HH22 ARG 9 2HH2 ARG 9 -16.137 24.897 -22.745 93 H THR 10 H THR 10 -19.286 17.319 -23.521 94 HA THR 10 HA THR 10 -20.600 15.237 -22.156 95 HB THR 10 HB THR 10 -18.514 13.960 -22.383 96 HG1 THR 10 HG1 THR 10 -16.633 14.928 -23.052 97 HG21 THR 10 3HG2 THR 10 -18.270 14.107 -24.834 98 HG22 THR 10 1HG2 THR 10 -19.161 15.631 -24.822 99 HG23 THR 10 2HG2 THR 10 -19.963 14.135 -24.339 100 H ARG 11 H ARG 11 -20.151 14.180 -20.206 101 HA ARG 11 HA ARG 11 -18.606 15.722 -18.210 102 HB2 ARG 11 2HB ARG 11 -20.304 15.206 -16.542 103 HB3 ARG 11 3HB ARG 11 -21.034 16.042 -17.906 104 HG2 ARG 11 2HG ARG 11 -21.709 13.750 -18.773 105 HG3 ARG 11 3HG ARG 11 -21.241 13.124 -17.190 106 HD2 ARG 11 2HD ARG 11 -23.606 13.535 -17.170 107 HD3 ARG 11 3HD ARG 11 -22.830 14.747 -16.150 108 HE ARG 11 HE ARG 11 -23.224 15.612 -18.858 109 HH11 ARG 11 1HH1 ARG 11 -24.672 15.409 -15.738 110 HH12 ARG 11 2HH1 ARG 11 -25.863 16.607 -16.098 111 HH21 ARG 11 1HH2 ARG 11 -24.715 17.153 -19.294 112 HH22 ARG 11 2HH2 ARG 11 -25.865 17.617 -18.084 113 H GLY 12 H GLY 12 -18.538 14.144 -16.086 114 HA2 GLY 12 2HA GLY 12 -16.750 12.061 -16.757 115 HA3 GLY 12 3HA GLY 12 -17.462 12.326 -15.176 116 H GLY 13 H GLY 13 -17.804 10.670 -18.244 117 HA2 GLY 13 2HA GLY 13 -19.491 8.655 -16.904 118 HA3 GLY 13 3HA GLY 13 -20.019 9.331 -18.438 119 H ASN 14 H ASN 14 -16.717 8.512 -17.490 120 HA ASN 14 HA ASN 14 -16.715 6.258 -19.387 121 HB2 ASN 14 2HB ASN 14 -15.816 8.313 -20.505 122 HB3 ASN 14 3HB ASN 14 -14.553 8.381 -19.283 123 HD21 ASN 14 1HD2 ASN 14 -15.843 5.489 -20.841 124 HD22 ASN 14 2HD2 ASN 14 -14.373 5.056 -21.632 125 H THR 15 H THR 15 -16.707 4.861 -17.576 126 HA THR 15 HA THR 15 -14.540 5.158 -15.611 127 HB THR 15 HB THR 15 -16.927 3.288 -15.547 128 HG1 THR 15 HG1 THR 15 -16.818 5.916 -15.136 129 HG21 THR 15 3HG2 THR 15 -14.976 4.060 -13.363 130 HG22 THR 15 1HG2 THR 15 -15.025 2.502 -14.187 131 HG23 THR 15 2HG2 THR 15 -16.379 3.011 -13.178 132 H LYS 16 H LYS 16 -12.751 3.972 -15.754 133 HA LYS 16 HA LYS 16 -12.394 1.840 -17.616 134 HB2 LYS 16 2HB LYS 16 -10.713 2.849 -15.317 135 HB3 LYS 16 3HB LYS 16 -10.204 1.531 -16.361 136 HG2 LYS 16 2HG LYS 16 -10.147 2.984 -18.271 137 HG3 LYS 16 3HG LYS 16 -10.850 4.308 -17.338 138 HD2 LYS 16 2HD LYS 16 -8.392 4.523 -17.639 139 HD3 LYS 16 3HD LYS 16 -8.877 4.440 -15.946 140 HE2 LYS 16 2HE LYS 16 -8.283 2.044 -15.914 141 HE3 LYS 16 3HE LYS 16 -7.758 2.166 -17.593 142 HZ1 LYS 16 3HZ LYS 16 -5.904 2.311 -16.031 143 HZ2 LYS 16 1HZ LYS 16 -6.596 3.682 -15.321 144 HZ3 LYS 16 2HZ LYS 16 -6.067 3.740 -16.925 145 H VAL 17 H VAL 17 -11.725 -0.366 -17.070 146 HA VAL 17 HA VAL 17 -13.148 -1.667 -14.978 147 HB VAL 17 HB VAL 17 -12.434 -2.856 -17.017 148 HG11 VAL 17 1HG1 VAL 17 -10.094 -3.520 -17.340 149 HG12 VAL 17 2HG1 VAL 17 -9.629 -2.545 -15.945 150 HG13 VAL 17 3HG1 VAL 17 -10.291 -1.767 -17.383 151 HG21 VAL 17 3HG2 VAL 17 -11.655 -4.925 -15.979 152 HG22 VAL 17 1HG2 VAL 17 -12.889 -4.156 -14.981 153 HG23 VAL 17 2HG2 VAL 17 -11.189 -4.040 -14.525 154 H ARG 18 H ARG 18 -12.200 -2.734 -13.082 155 HA ARG 18 HA ARG 18 -10.924 -1.078 -11.332 156 HB2 ARG 18 2HB ARG 18 -10.546 -2.994 -9.917 157 HB3 ARG 18 3HB ARG 18 -12.073 -3.210 -10.762 158 HG2 ARG 18 2HG ARG 18 -10.896 -4.677 -12.401 159 HG3 ARG 18 3HG ARG 18 -9.444 -4.546 -11.406 160 HD2 ARG 18 2HD ARG 18 -12.085 -5.798 -10.679 161 HD3 ARG 18 3HD ARG 18 -10.519 -6.586 -10.822 162 HE ARG 18 HE ARG 18 -10.948 -4.543 -8.758 163 HH11 ARG 18 1HH1 ARG 18 -10.236 -7.816 -9.620 164 HH12 ARG 18 2HH1 ARG 18 -9.811 -8.251 -7.997 165 HH21 ARG 18 1HH2 ARG 18 -10.425 -5.140 -6.696 166 HH22 ARG 18 2HH2 ARG 18 -9.953 -6.769 -6.366 167 H LEU 19 H LEU 19 -9.343 -3.180 -13.660 168 HA LEU 19 HA LEU 19 -6.769 -1.944 -13.059 169 HB2 LEU 19 2HB LEU 19 -6.919 -3.968 -11.630 170 HB3 LEU 19 3HB LEU 19 -7.176 -4.948 -13.058 171 HG LEU 19 HG LEU 19 -4.646 -3.330 -12.767 172 HD11 LEU 19 1HD1 LEU 19 -5.153 -6.084 -11.627 173 HD12 LEU 19 2HD1 LEU 19 -4.836 -4.616 -10.704 174 HD13 LEU 19 3HD1 LEU 19 -3.580 -5.292 -11.741 175 HD21 LEU 19 3HD2 LEU 19 -5.333 -5.898 -14.205 176 HD22 LEU 19 1HD2 LEU 19 -3.730 -5.161 -14.153 177 HD23 LEU 19 2HD2 LEU 19 -5.061 -4.322 -14.945 178 H ALA 20 H ALA 20 -6.239 -1.115 -14.992 179 HA ALA 20 HA ALA 20 -6.498 -2.841 -17.385 180 HB1 ALA 20 3HB ALA 20 -6.806 -0.832 -18.731 181 HB2 ALA 20 1HB ALA 20 -6.676 0.174 -17.289 182 HB3 ALA 20 2HB ALA 20 -8.038 -0.932 -17.473 183 H SER 21 H SER 21 -4.367 -3.628 -16.760 184 HA SER 21 HA SER 21 -2.121 -3.788 -16.994 185 HB2 SER 21 2HB SER 21 -2.374 -2.781 -19.215 186 HB3 SER 21 3HB SER 21 -2.295 -1.168 -18.508 187 HG SER 21 HG SER 21 -0.201 -1.321 -18.451 188 H ASP 22 H ASP 22 -3.254 -0.586 -15.943 189 HA ASP 22 HA ASP 22 -0.855 -0.221 -14.328 190 HB2 ASP 22 2HB ASP 22 -1.713 2.016 -13.868 191 HB3 ASP 22 3HB ASP 22 -1.716 1.699 -15.598 192 H THR 23 H THR 23 -0.733 -0.560 -12.203 193 HA THR 23 HA THR 23 -3.111 -1.518 -10.765 194 HB THR 23 HB THR 23 -1.495 -2.346 -9.071 195 HG1 THR 23 HG1 THR 23 0.812 -2.305 -10.020 196 HG21 THR 23 3HG2 THR 23 -0.466 -4.113 -10.440 197 HG22 THR 23 1HG2 THR 23 -0.838 -3.198 -11.902 198 HG23 THR 23 2HG2 THR 23 -2.146 -3.837 -10.904 199 H ARG 24 H ARG 24 -4.166 -0.058 -9.554 200 HA ARG 24 HA ARG 24 -2.644 2.180 -8.367 201 HB2 ARG 24 2HB ARG 24 -5.454 2.149 -9.493 202 HB3 ARG 24 3HB ARG 24 -4.766 3.503 -8.606 203 HG2 ARG 24 2HG ARG 24 -3.399 2.417 -11.048 204 HG3 ARG 24 3HG ARG 24 -4.737 3.559 -11.184 205 HD2 ARG 24 2HD ARG 24 -2.279 4.080 -9.509 206 HD3 ARG 24 3HD ARG 24 -2.418 4.571 -11.198 207 HE ARG 24 HE ARG 24 -4.625 5.647 -10.116 208 HH11 ARG 24 1HH1 ARG 24 -1.331 5.743 -9.099 209 HH12 ARG 24 2HH1 ARG 24 -1.501 7.304 -8.379 210 HH21 ARG 24 1HH2 ARG 24 -4.817 7.631 -9.189 211 HH22 ARG 24 2HH2 ARG 24 -3.443 8.369 -8.434 212 H ILE 25 H ILE 25 -2.569 2.152 -6.220 213 HA ILE 25 HA ILE 25 -4.817 0.968 -4.699 214 HB ILE 25 HB ILE 25 -2.943 -0.591 -4.688 215 HG12 ILE 25 2HG1 ILE 25 -3.240 0.814 -2.013 216 HG13 ILE 25 3HG1 ILE 25 -4.316 -0.425 -2.647 217 HG21 ILE 25 1HG2 ILE 25 -1.317 1.673 -3.520 218 HG22 ILE 25 2HG2 ILE 25 -1.120 0.956 -5.121 219 HG23 ILE 25 3HG2 ILE 25 -0.780 -0.001 -3.680 220 HD11 ILE 25 3HD1 ILE 25 -2.473 -2.040 -2.583 221 HD12 ILE 25 1HD1 ILE 25 -2.814 -1.350 -0.994 222 HD13 ILE 25 2HD1 ILE 25 -1.416 -0.794 -1.918 223 H ASN 26 H ASN 26 -5.576 2.117 -3.002 224 HA ASN 26 HA ASN 26 -4.683 4.771 -2.460 225 HB2 ASN 26 2HB ASN 26 -6.596 2.957 -0.963 226 HB3 ASN 26 3HB ASN 26 -6.327 4.648 -0.556 227 HD21 ASN 26 1HD2 ASN 26 -8.718 3.175 -1.511 228 HD22 ASN 26 2HD2 ASN 26 -9.251 4.047 -2.904 229 H VAL 27 H VAL 27 -2.695 5.030 -1.583 230 HA VAL 27 HA VAL 27 -1.775 3.230 0.534 231 HB VAL 27 HB VAL 27 -0.272 5.420 -0.918 232 HG11 VAL 27 1HG1 VAL 27 1.746 4.381 0.035 233 HG12 VAL 27 2HG1 VAL 27 0.731 3.270 0.957 234 HG13 VAL 27 3HG1 VAL 27 0.671 5.003 1.289 235 HG21 VAL 27 3HG2 VAL 27 -0.918 3.598 -2.414 236 HG22 VAL 27 1HG2 VAL 27 -0.207 2.425 -1.305 237 HG23 VAL 27 2HG2 VAL 27 0.823 3.592 -2.133 238 H VAL 28 H VAL 28 -2.221 3.752 2.562 239 HA VAL 28 HA VAL 28 -2.421 6.576 3.369 240 HB VAL 28 HB VAL 28 -3.204 4.114 4.954 241 HG11 VAL 28 1HG1 VAL 28 -2.758 6.071 6.345 242 HG12 VAL 28 2HG1 VAL 28 -4.481 5.694 6.333 243 HG13 VAL 28 3HG1 VAL 28 -3.866 7.036 5.366 244 HG21 VAL 28 3HG2 VAL 28 -4.554 4.241 2.937 245 HG22 VAL 28 1HG2 VAL 28 -4.942 5.929 3.279 246 HG23 VAL 28 2HG2 VAL 28 -5.524 4.652 4.352 247 H ASP 29 H ASP 29 -0.798 7.488 4.518 248 HA ASP 29 HA ASP 29 1.427 5.878 5.447 249 HB2 ASP 29 2HB ASP 29 1.596 8.195 4.354 250 HB3 ASP 29 3HB ASP 29 1.068 8.842 5.901 251 HA PRO 30 HA PRO 30 -0.423 5.433 9.518 252 HB2 PRO 30 2HB PRO 30 1.642 4.076 10.663 253 HB3 PRO 30 3HB PRO 30 0.523 3.324 9.523 254 HG2 PRO 30 2HG PRO 30 3.262 4.451 9.019 255 HG3 PRO 30 3HG PRO 30 2.569 2.911 8.469 256 HD2 PRO 30 2HD PRO 30 2.692 5.080 6.867 257 HD3 PRO 30 3HD PRO 30 1.353 3.918 6.780 258 H GLU 31 H GLU 31 2.779 6.817 8.942 259 HA GLU 31 HA GLU 31 2.961 7.826 11.670 260 HB2 GLU 31 2HB GLU 31 4.919 8.103 9.382 261 HB3 GLU 31 3HB GLU 31 5.227 8.512 11.065 262 HG2 GLU 31 2HG GLU 31 4.654 5.753 9.985 263 HG3 GLU 31 3HG GLU 31 6.231 6.370 10.469 264 H THR 32 H THR 32 2.747 9.185 8.370 265 HA THR 32 HA THR 32 2.589 11.896 9.514 266 HB THR 32 HB THR 32 2.966 12.789 7.351 267 HG1 THR 32 HG1 THR 32 1.899 11.783 5.819 268 HG21 THR 32 3HG2 THR 32 4.628 10.273 7.594 269 HG22 THR 32 1HG2 THR 32 4.970 11.819 8.371 270 HG23 THR 32 2HG2 THR 32 5.030 11.683 6.616 271 H GLY 33 H GLY 33 0.592 9.565 7.795 272 HA2 GLY 33 2HA GLY 33 -1.748 9.508 7.818 273 HA3 GLY 33 3HA GLY 33 -1.772 11.157 8.411 274 H LYS 34 H LYS 34 0.049 10.253 5.534 275 HA LYS 34 HA LYS 34 -1.682 11.966 3.921 276 HB2 LYS 34 2HB LYS 34 0.017 11.866 2.214 277 HB3 LYS 34 3HB LYS 34 0.803 12.165 3.755 278 HG2 LYS 34 2HG LYS 34 1.498 9.843 3.886 279 HG3 LYS 34 3HG LYS 34 0.637 9.475 2.393 280 HD2 LYS 34 2HD LYS 34 2.931 9.703 1.822 281 HD3 LYS 34 3HD LYS 34 2.126 11.163 1.249 282 HE2 LYS 34 2HE LYS 34 4.216 11.768 2.284 283 HE3 LYS 34 3HE LYS 34 2.894 12.332 3.303 284 HZ1 LYS 34 3HZ LYS 34 4.774 11.256 4.504 285 HZ2 LYS 34 1HZ LYS 34 4.353 9.791 3.778 286 HZ3 LYS 34 2HZ LYS 34 3.268 10.556 4.817 287 H VAL 35 H VAL 35 -3.023 11.274 2.298 288 HA VAL 35 HA VAL 35 -3.146 8.359 1.793 289 HB VAL 35 HB VAL 35 -5.421 10.350 1.549 290 HG11 VAL 35 1HG1 VAL 35 -6.829 8.330 1.296 291 HG12 VAL 35 2HG1 VAL 35 -5.370 7.337 1.274 292 HG13 VAL 35 3HG1 VAL 35 -5.661 8.508 -0.013 293 HG21 VAL 35 3HG2 VAL 35 -6.358 9.239 3.538 294 HG22 VAL 35 1HG2 VAL 35 -4.810 10.012 3.888 295 HG23 VAL 35 2HG2 VAL 35 -4.894 8.262 3.675 296 H GLU 36 H GLU 36 -2.041 8.037 -0.057 297 HA GLU 36 HA GLU 36 -2.768 9.650 -2.424 298 HB2 GLU 36 2HB GLU 36 -0.621 10.478 -1.638 299 HB3 GLU 36 3HB GLU 36 0.023 8.846 -1.554 300 HG2 GLU 36 2HG GLU 36 0.904 9.942 -3.495 301 HG3 GLU 36 3HG GLU 36 -0.193 8.663 -4.010 302 H ILE 37 H ILE 37 -2.943 8.516 -4.352 303 HA ILE 37 HA ILE 37 -3.022 5.612 -4.108 304 HB ILE 37 HB ILE 37 -3.677 7.238 -6.574 305 HG12 ILE 37 2HG1 ILE 37 -5.544 6.399 -4.330 306 HG13 ILE 37 3HG1 ILE 37 -5.034 8.049 -4.673 307 HG21 ILE 37 1HG2 ILE 37 -4.553 4.485 -5.677 308 HG22 ILE 37 2HG2 ILE 37 -3.354 4.833 -6.923 309 HG23 ILE 37 3HG2 ILE 37 -5.037 5.291 -7.171 310 HD11 ILE 37 3HD1 ILE 37 -7.281 7.607 -5.497 311 HD12 ILE 37 1HD1 ILE 37 -6.665 6.297 -6.507 312 HD13 ILE 37 2HD1 ILE 37 -6.175 7.964 -6.825 313 H ALA 38 H ALA 38 -1.372 4.331 -4.694 314 HA ALA 38 HA ALA 38 0.733 5.467 -6.438 315 HB1 ALA 38 3HB ALA 38 1.434 5.180 -4.110 316 HB2 ALA 38 1HB ALA 38 2.354 4.151 -5.205 317 HB3 ALA 38 2HB ALA 38 1.070 3.459 -4.215 318 H GLU 39 H GLU 39 1.810 4.118 -7.914 319 HA GLU 39 HA GLU 39 0.299 1.861 -8.896 320 HB2 GLU 39 2HB GLU 39 2.932 3.001 -9.872 321 HB3 GLU 39 3HB GLU 39 1.991 1.764 -10.692 322 HG2 GLU 39 2HG GLU 39 1.530 3.758 -11.835 323 HG3 GLU 39 3HG GLU 39 0.113 3.459 -10.832 324 H ILE 40 H ILE 40 0.722 -0.262 -8.576 325 HA ILE 40 HA ILE 40 2.820 -0.973 -6.669 326 HB ILE 40 HB ILE 40 0.679 -2.710 -7.923 327 HG12 ILE 40 2HG1 ILE 40 0.784 -1.400 -5.189 328 HG13 ILE 40 3HG1 ILE 40 -0.268 -0.921 -6.516 329 HG21 ILE 40 1HG2 ILE 40 1.217 -4.323 -6.167 330 HG22 ILE 40 2HG2 ILE 40 2.483 -3.258 -5.561 331 HG23 ILE 40 3HG2 ILE 40 2.636 -3.988 -7.159 332 HD11 ILE 40 3HD1 ILE 40 -1.404 -3.075 -6.395 333 HD12 ILE 40 1HD1 ILE 40 -1.464 -2.221 -4.854 334 HD13 ILE 40 2HD1 ILE 40 -0.342 -3.563 -5.073 335 H ARG 41 H ARG 41 4.799 -1.449 -7.440 336 HA ARG 41 HA ARG 41 5.176 -2.534 -10.102 337 HB2 ARG 41 2HB ARG 41 7.139 -1.890 -7.892 338 HB3 ARG 41 3HB ARG 41 7.607 -2.517 -9.467 339 HG2 ARG 41 2HG ARG 41 6.535 -0.510 -10.505 340 HG3 ARG 41 3HG ARG 41 6.283 0.127 -8.879 341 HD2 ARG 41 2HD ARG 41 8.316 1.028 -9.973 342 HD3 ARG 41 3HD ARG 41 8.662 0.171 -8.473 343 HE ARG 41 HE ARG 41 9.110 -1.779 -10.162 344 HH11 ARG 41 1HH1 ARG 41 9.954 1.536 -10.567 345 HH12 ARG 41 2HH1 ARG 41 11.358 1.171 -11.509 346 HH21 ARG 41 1HH2 ARG 41 10.922 -2.227 -11.362 347 HH22 ARG 41 2HH2 ARG 41 11.907 -0.927 -11.939 348 H ASN 42 H ASN 42 5.874 -3.658 -6.779 349 HA ASN 42 HA ASN 42 6.034 -6.420 -7.826 350 HB2 ASN 42 2HB ASN 42 7.679 -5.167 -5.614 351 HB3 ASN 42 3HB ASN 42 7.730 -6.868 -6.067 352 HD21 ASN 42 1HD2 ASN 42 9.751 -4.651 -6.141 353 HD22 ASN 42 2HD2 ASN 42 10.366 -4.690 -7.750 354 H VAL 43 H VAL 43 4.853 -7.948 -6.822 355 HA VAL 43 HA VAL 43 3.396 -7.220 -4.350 356 HB VAL 43 HB VAL 43 1.817 -9.043 -4.972 357 HG11 VAL 43 1HG1 VAL 43 1.293 -6.762 -5.616 358 HG12 VAL 43 2HG1 VAL 43 0.767 -7.877 -6.875 359 HG13 VAL 43 3HG1 VAL 43 2.240 -6.934 -7.094 360 HG21 VAL 43 3HG2 VAL 43 3.338 -10.440 -6.269 361 HG22 VAL 43 1HG2 VAL 43 3.458 -9.189 -7.508 362 HG23 VAL 43 2HG2 VAL 43 1.923 -10.013 -7.232 363 H VAL 44 H VAL 44 6.129 -8.150 -4.273 364 HA VAL 44 HA VAL 44 5.945 -10.992 -3.567 365 HB VAL 44 HB VAL 44 7.612 -10.411 -5.249 366 HG11 VAL 44 1HG1 VAL 44 9.597 -9.088 -4.679 367 HG12 VAL 44 2HG1 VAL 44 8.910 -8.737 -3.093 368 HG13 VAL 44 3HG1 VAL 44 8.122 -8.129 -4.549 369 HG21 VAL 44 3HG2 VAL 44 8.027 -12.330 -3.816 370 HG22 VAL 44 1HG2 VAL 44 8.827 -11.300 -2.628 371 HG23 VAL 44 2HG2 VAL 44 9.542 -11.531 -4.222 372 H GLU 45 H GLU 45 6.372 -11.794 -1.623 373 HA GLU 45 HA GLU 45 6.650 -10.083 0.682 374 HB2 GLU 45 2HB GLU 45 6.425 -13.063 0.275 375 HB3 GLU 45 3HB GLU 45 6.707 -12.367 1.861 376 HG2 GLU 45 2HG GLU 45 4.381 -11.459 0.211 377 HG3 GLU 45 3HG GLU 45 4.297 -12.956 1.138 378 H ASN 46 H ASN 46 8.298 -10.497 2.369 379 HA ASN 46 HA ASN 46 10.954 -10.519 1.325 380 HB2 ASN 46 2HB ASN 46 9.966 -10.660 4.188 381 HB3 ASN 46 3HB ASN 46 11.649 -10.428 3.720 382 HD21 ASN 46 1HD2 ASN 46 12.288 -8.463 2.873 383 HD22 ASN 46 2HD2 ASN 46 11.295 -7.056 2.941 384 H THR 47 H THR 47 11.093 -12.523 0.241 385 HA THR 47 HA THR 47 11.343 -14.906 1.985 386 HB THR 47 HB THR 47 10.687 -16.308 0.088 387 HG1 THR 47 HG1 THR 47 10.054 -13.949 -1.372 388 HG21 THR 47 3HG2 THR 47 8.329 -15.655 -0.104 389 HG22 THR 47 1HG2 THR 47 8.716 -14.051 0.522 390 HG23 THR 47 2HG2 THR 47 8.900 -15.470 1.555 391 H ALA 48 H ALA 48 12.793 -16.634 0.998 392 HA ALA 48 HA ALA 48 15.375 -15.566 0.456 393 HB1 ALA 48 3HB ALA 48 16.080 -17.890 0.213 394 HB2 ALA 48 1HB ALA 48 14.394 -18.409 0.153 395 HB3 ALA 48 2HB ALA 48 15.045 -17.694 1.628 396 H ASN 49 H ASN 49 15.562 -14.410 -1.411 397 HA ASN 49 HA ASN 49 15.757 -13.905 -3.609 398 HB2 ASN 49 2HB ASN 49 15.744 -16.910 -3.991 399 HB3 ASN 49 3HB ASN 49 16.164 -15.734 -5.233 400 HD21 ASN 49 1HD2 ASN 49 17.168 -17.285 -2.314 401 HD22 ASN 49 2HD2 ASN 49 18.801 -16.731 -2.344 402 HA PRO 50 HA PRO 50 11.193 -13.791 -4.181 403 HB2 PRO 50 2HB PRO 50 12.213 -11.570 -5.913 404 HB3 PRO 50 3HB PRO 50 10.839 -11.587 -4.803 405 HG2 PRO 50 2HG PRO 50 13.081 -10.381 -4.090 406 HG3 PRO 50 3HG PRO 50 12.201 -11.378 -2.912 407 HD2 PRO 50 2HD PRO 50 14.686 -12.019 -4.460 408 HD3 PRO 50 3HD PRO 50 14.275 -12.410 -2.776 409 H HIS 51 H HIS 51 10.508 -15.407 -5.526 410 HA HIS 51 HA HIS 51 11.000 -15.073 -8.400 411 HB2 HIS 51 2HB HIS 51 11.515 -17.624 -6.860 412 HB3 HIS 51 3HB HIS 51 11.310 -17.584 -8.611 413 HD1 HIS 51 HD1 HIS 51 13.055 -15.640 -9.744 414 HD2 HIS 51 HD2 HIS 51 14.136 -17.517 -6.193 415 HE1 HIS 51 HE1 HIS 51 15.543 -15.367 -9.566 416 HE2 HIS 51 HE2 HIS 51 16.184 -16.563 -7.450 417 H PHE 52 H PHE 52 9.576 -16.395 -9.759 418 HA PHE 52 HA PHE 52 6.850 -16.054 -8.997 419 HB2 PHE 52 2HB PHE 52 7.771 -15.741 -11.299 420 HB3 PHE 52 3HB PHE 52 7.993 -17.480 -11.415 421 HD1 PHE 52 HD2 PHE 52 5.387 -14.867 -10.920 422 HD2 PHE 52 HD1 PHE 52 6.259 -18.832 -12.220 423 HE1 PHE 52 HE2 PHE 52 3.099 -15.086 -11.794 424 HE2 PHE 52 HE1 PHE 52 3.972 -19.047 -13.097 425 HZ PHE 52 HZ PHE 52 2.392 -17.176 -12.883 426 H VAL 53 H VAL 53 8.928 -18.489 -8.187 427 HA VAL 53 HA VAL 53 7.595 -20.890 -8.596 428 HB VAL 53 HB VAL 53 9.886 -20.754 -7.734 429 HG11 VAL 53 1HG1 VAL 53 8.628 -19.851 -5.140 430 HG12 VAL 53 2HG1 VAL 53 9.631 -18.872 -6.209 431 HG13 VAL 53 3HG1 VAL 53 10.328 -20.258 -5.370 432 HG21 VAL 53 3HG2 VAL 53 8.013 -22.282 -5.916 433 HG22 VAL 53 1HG2 VAL 53 9.750 -22.558 -6.049 434 HG23 VAL 53 2HG2 VAL 53 8.703 -22.853 -7.436 435 H ARG 54 H ARG 54 6.929 -18.393 -6.225 436 HA ARG 54 HA ARG 54 4.864 -20.083 -4.966 437 HB2 ARG 54 2HB ARG 54 6.650 -18.984 -3.529 438 HB3 ARG 54 3HB ARG 54 5.932 -17.436 -3.950 439 HG2 ARG 54 2HG ARG 54 5.167 -18.190 -1.766 440 HG3 ARG 54 3HG ARG 54 3.824 -18.120 -2.909 441 HD2 ARG 54 2HD ARG 54 3.975 -20.537 -3.248 442 HD3 ARG 54 3HD ARG 54 5.346 -20.616 -2.144 443 HE ARG 54 HE ARG 54 3.451 -19.545 -0.588 444 HH11 ARG 54 1HH1 ARG 54 3.318 -22.229 -2.739 445 HH12 ARG 54 2HH1 ARG 54 2.225 -23.116 -1.736 446 HH21 ARG 54 1HH2 ARG 54 2.022 -20.683 0.666 447 HH22 ARG 54 2HH2 ARG 54 1.490 -22.247 0.155 448 H ARG 55 H ARG 55 2.763 -19.002 -4.439 449 HA ARG 55 HA ARG 55 1.764 -17.663 -6.762 450 HB2 ARG 55 2HB ARG 55 0.428 -18.430 -4.168 451 HB3 ARG 55 3HB ARG 55 -0.420 -17.646 -5.494 452 HG2 ARG 55 2HG ARG 55 0.965 -20.325 -5.620 453 HG3 ARG 55 3HG ARG 55 -0.776 -20.059 -5.516 454 HD2 ARG 55 2HD ARG 55 -0.250 -20.529 -7.799 455 HD3 ARG 55 3HD ARG 55 -0.632 -18.813 -7.690 456 HE ARG 55 HE ARG 55 2.173 -19.676 -7.632 457 HH11 ARG 55 1HH1 ARG 55 -0.390 -18.085 -9.293 458 HH12 ARG 55 2HH1 ARG 55 0.679 -17.257 -10.370 459 HH21 ARG 55 1HH2 ARG 55 3.536 -18.587 -8.999 460 HH22 ARG 55 2HH2 ARG 55 2.878 -17.529 -10.196 461 H ASN 56 H ASN 56 2.257 -15.651 -7.128 462 HA ASN 56 HA ASN 56 2.591 -13.625 -5.130 463 HB2 ASN 56 2HB ASN 56 2.719 -12.123 -7.178 464 HB3 ASN 56 3HB ASN 56 3.889 -13.433 -7.116 465 HD21 ASN 56 1HD2 ASN 56 0.998 -12.256 -8.657 466 HD22 ASN 56 2HD2 ASN 56 1.051 -13.336 -10.003 467 H ILE 57 H ILE 57 0.272 -14.313 -4.313 468 HA ILE 57 HA ILE 57 -1.864 -12.883 -5.716 469 HB ILE 57 HB ILE 57 -2.369 -15.153 -4.987 470 HG12 ILE 57 2HG1 ILE 57 -4.452 -14.696 -3.681 471 HG13 ILE 57 3HG1 ILE 57 -3.891 -13.050 -3.412 472 HG21 ILE 57 1HG2 ILE 57 -1.878 -14.171 -2.172 473 HG22 ILE 57 2HG2 ILE 57 -0.865 -15.297 -3.076 474 HG23 ILE 57 3HG2 ILE 57 -2.506 -15.757 -2.622 475 HD11 ILE 57 3HD1 ILE 57 -5.532 -13.162 -5.195 476 HD12 ILE 57 1HD1 ILE 57 -4.509 -14.292 -6.085 477 HD13 ILE 57 2HD1 ILE 57 -3.966 -12.634 -5.816 478 H ILE 58 H ILE 58 -2.857 -11.079 -4.963 479 HA ILE 58 HA ILE 58 -1.621 -9.645 -2.754 480 HB ILE 58 HB ILE 58 -3.868 -8.784 -4.601 481 HG12 ILE 58 2HG1 ILE 58 -0.906 -8.128 -4.699 482 HG13 ILE 58 3HG1 ILE 58 -1.747 -9.214 -5.800 483 HG21 ILE 58 1HG2 ILE 58 -3.879 -7.544 -2.494 484 HG22 ILE 58 2HG2 ILE 58 -3.368 -6.509 -3.824 485 HG23 ILE 58 3HG2 ILE 58 -2.171 -7.153 -2.702 486 HD11 ILE 58 3HD1 ILE 58 -3.083 -7.354 -6.624 487 HD12 ILE 58 1HD1 ILE 58 -1.357 -7.041 -6.807 488 HD13 ILE 58 2HD1 ILE 58 -2.261 -6.262 -5.507 489 H THR 59 H THR 59 -2.290 -10.378 -0.783 490 HA THR 59 HA THR 59 -5.176 -10.245 -0.187 491 HB THR 59 HB THR 59 -4.934 -12.193 1.353 492 HG1 THR 59 HG1 THR 59 -2.571 -12.059 1.490 493 HG21 THR 59 3HG2 THR 59 -5.883 -12.528 -0.866 494 HG22 THR 59 1HG2 THR 59 -4.917 -13.927 -0.395 495 HG23 THR 59 2HG2 THR 59 -4.271 -12.750 -1.540 496 H ARG 60 H ARG 60 -5.660 -9.960 2.127 497 HA ARG 60 HA ARG 60 -4.289 -7.840 3.275 498 HB2 ARG 60 2HB ARG 60 -6.613 -8.563 3.858 499 HB3 ARG 60 3HB ARG 60 -5.929 -9.884 4.794 500 HG2 ARG 60 2HG ARG 60 -4.687 -8.124 6.132 501 HG3 ARG 60 3HG ARG 60 -5.699 -6.930 5.320 502 HD2 ARG 60 2HD ARG 60 -6.654 -7.481 7.477 503 HD3 ARG 60 3HD ARG 60 -7.709 -8.082 6.194 504 HE ARG 60 HE ARG 60 -5.975 -10.142 6.896 505 HH11 ARG 60 1HH1 ARG 60 -8.508 -8.334 8.378 506 HH12 ARG 60 2HH1 ARG 60 -8.968 -9.635 9.420 507 HH21 ARG 60 1HH2 ARG 60 -6.553 -11.780 8.239 508 HH22 ARG 60 2HH2 ARG 60 -7.873 -11.570 9.335 509 H GLY 61 H GLY 61 -2.360 -7.701 4.205 510 HA2 GLY 61 2HA GLY 61 -0.905 -8.405 6.046 511 HA3 GLY 61 3HA GLY 61 -1.228 -10.066 5.576 512 H ALA 62 H ALA 62 -1.014 -9.073 2.668 513 HA ALA 62 HA ALA 62 1.779 -9.722 2.367 514 HB1 ALA 62 3HB ALA 62 -0.279 -8.977 0.284 515 HB2 ALA 62 1HB ALA 62 0.106 -10.612 0.822 516 HB3 ALA 62 2HB ALA 62 1.317 -9.659 -0.035 517 H VAL 63 H VAL 63 3.355 -8.467 1.256 518 HA VAL 63 HA VAL 63 3.001 -5.554 1.565 519 HB VAL 63 HB VAL 63 5.547 -7.194 1.411 520 HG11 VAL 63 1HG1 VAL 63 6.711 -5.106 1.981 521 HG12 VAL 63 2HG1 VAL 63 5.185 -4.229 1.881 522 HG13 VAL 63 3HG1 VAL 63 5.869 -4.974 0.437 523 HG21 VAL 63 3HG2 VAL 63 4.249 -5.765 3.741 524 HG22 VAL 63 1HG2 VAL 63 5.819 -6.574 3.775 525 HG23 VAL 63 2HG2 VAL 63 4.351 -7.513 3.511 526 H VAL 64 H VAL 64 2.525 -4.525 -0.278 527 HA VAL 64 HA VAL 64 3.667 -5.478 -2.816 528 HB VAL 64 HB VAL 64 1.991 -4.008 -3.923 529 HG11 VAL 64 1HG1 VAL 64 1.508 -6.370 -3.567 530 HG12 VAL 64 2HG1 VAL 64 0.036 -5.405 -3.437 531 HG13 VAL 64 3HG1 VAL 64 0.829 -6.008 -1.980 532 HG21 VAL 64 3HG2 VAL 64 0.919 -3.576 -1.125 533 HG22 VAL 64 1HG2 VAL 64 0.139 -3.062 -2.624 534 HG23 VAL 64 2HG2 VAL 64 1.677 -2.352 -2.142 535 H GLU 65 H GLU 65 5.411 -4.475 -3.556 536 HA GLU 65 HA GLU 65 6.333 -1.974 -2.481 537 HB2 GLU 65 2HB GLU 65 7.855 -3.836 -3.109 538 HB3 GLU 65 3HB GLU 65 7.420 -3.600 -4.796 539 HG2 GLU 65 2HG GLU 65 8.333 -1.291 -4.647 540 HG3 GLU 65 3HG GLU 65 8.879 -1.657 -3.012 541 H THR 66 H THR 66 5.376 -0.130 -3.097 542 HA THR 66 HA THR 66 4.508 0.231 -5.895 543 HB THR 66 HB THR 66 3.098 2.020 -5.154 544 HG1 THR 66 HG1 THR 66 4.047 1.748 -2.489 545 HG21 THR 66 3HG2 THR 66 2.218 -0.232 -4.703 546 HG22 THR 66 1HG2 THR 66 1.651 0.935 -3.509 547 HG23 THR 66 2HG2 THR 66 2.943 -0.191 -3.095 548 H ASN 67 H ASN 67 4.761 2.544 -6.731 549 HA ASN 67 HA ASN 67 7.467 3.223 -6.866 550 HB2 ASN 67 2HB ASN 67 6.839 5.144 -8.139 551 HB3 ASN 67 3HB ASN 67 5.723 3.852 -8.551 552 HD21 ASN 67 1HD2 ASN 67 4.077 4.138 -6.176 553 HD22 ASN 67 2HD2 ASN 67 3.211 5.622 -6.362 554 H LEU 68 H LEU 68 5.167 4.123 -4.448 555 HA LEU 68 HA LEU 68 6.775 6.345 -3.447 556 HB2 LEU 68 2HB LEU 68 4.263 5.078 -2.336 557 HB3 LEU 68 3HB LEU 68 5.033 6.518 -1.699 558 HG LEU 68 HG LEU 68 3.756 6.256 -4.430 559 HD11 LEU 68 1HD1 LEU 68 2.067 7.787 -3.554 560 HD12 LEU 68 2HD1 LEU 68 2.854 7.766 -1.976 561 HD13 LEU 68 3HD1 LEU 68 2.123 6.293 -2.616 562 HD21 LEU 68 3HD2 LEU 68 4.128 8.677 -4.616 563 HD22 LEU 68 1HD2 LEU 68 5.648 7.793 -4.495 564 HD23 LEU 68 2HD2 LEU 68 5.017 8.657 -3.093 565 H GLY 69 H GLY 69 6.340 2.965 -2.886 566 HA2 GLY 69 2HA GLY 69 8.456 2.243 -1.492 567 HA3 GLY 69 3HA GLY 69 7.557 3.060 -0.222 568 H ASN 70 H ASN 70 7.950 0.690 0.544 569 HA ASN 70 HA ASN 70 6.243 -1.336 -0.529 570 HB2 ASN 70 2HB ASN 70 7.717 -1.200 2.114 571 HB3 ASN 70 3HB ASN 70 6.915 -2.636 1.478 572 HD21 ASN 70 1HD2 ASN 70 7.809 -3.717 -0.264 573 HD22 ASN 70 2HD2 ASN 70 9.415 -3.412 -0.815 574 H VAL 71 H VAL 71 4.138 -1.545 -0.265 575 HA VAL 71 HA VAL 71 2.797 -0.198 1.998 576 HB VAL 71 HB VAL 71 1.725 -0.859 -0.758 577 HG11 VAL 71 1HG1 VAL 71 -0.046 -1.012 0.913 578 HG12 VAL 71 2HG1 VAL 71 -0.270 0.412 -0.102 579 HG13 VAL 71 3HG1 VAL 71 0.376 0.587 1.529 580 HG21 VAL 71 3HG2 VAL 71 3.332 0.980 -0.772 581 HG22 VAL 71 1HG2 VAL 71 2.419 1.803 0.495 582 HG23 VAL 71 2HG2 VAL 71 1.702 1.567 -1.100 583 H ARG 72 H ARG 72 1.479 -1.392 3.331 584 HA ARG 72 HA ARG 72 1.412 -4.288 2.927 585 HB2 ARG 72 2HB ARG 72 2.031 -3.204 5.146 586 HB3 ARG 72 3HB ARG 72 0.348 -2.721 5.287 587 HG2 ARG 72 2HG ARG 72 -0.247 -5.170 5.070 588 HG3 ARG 72 3HG ARG 72 1.470 -5.514 5.256 589 HD2 ARG 72 2HD ARG 72 -0.300 -4.079 7.238 590 HD3 ARG 72 3HD ARG 72 0.326 -5.719 7.392 591 HE ARG 72 HE ARG 72 2.587 -4.302 7.191 592 HH11 ARG 72 1HH1 ARG 72 -0.230 -3.831 9.123 593 HH12 ARG 72 2HH1 ARG 72 0.647 -3.077 10.409 594 HH21 ARG 72 1HH2 ARG 72 3.699 -3.294 8.848 595 HH22 ARG 72 2HH2 ARG 72 2.834 -2.771 10.251 596 H VAL 73 H VAL 73 -0.355 -5.310 2.121 597 HA VAL 73 HA VAL 73 -2.802 -3.972 1.553 598 HB VAL 73 HB VAL 73 -2.380 -6.969 1.724 599 HG11 VAL 73 1HG1 VAL 73 -4.407 -5.311 0.212 600 HG12 VAL 73 2HG1 VAL 73 -4.720 -6.352 1.600 601 HG13 VAL 73 3HG1 VAL 73 -4.212 -7.059 0.067 602 HG21 VAL 73 3HG2 VAL 73 -0.691 -5.994 0.254 603 HG22 VAL 73 1HG2 VAL 73 -1.947 -5.153 -0.655 604 HG23 VAL 73 2HG2 VAL 73 -1.875 -6.918 -0.672 605 H THR 74 H THR 74 -3.862 -3.154 3.342 606 HA THR 74 HA THR 74 -4.402 -4.972 5.597 607 HB THR 74 HB THR 74 -5.213 -2.921 6.778 608 HG1 THR 74 HG1 THR 74 -4.906 -0.927 5.813 609 HG21 THR 74 3HG2 THR 74 -2.920 -3.734 7.095 610 HG22 THR 74 1HG2 THR 74 -2.971 -1.973 7.147 611 HG23 THR 74 2HG2 THR 74 -2.385 -2.796 5.702 612 H SER 75 H SER 75 -5.969 -3.263 3.002 613 HA SER 75 HA SER 75 -8.614 -4.133 3.951 614 HB2 SER 75 2HB SER 75 -8.418 -1.786 3.212 615 HB3 SER 75 3HB SER 75 -7.883 -2.331 1.625 616 HG SER 75 HG SER 75 -10.314 -1.871 2.296 617 H ARG 76 H ARG 76 -10.033 -4.643 1.767 618 HA ARG 76 HA ARG 76 -8.707 -7.024 0.664 619 HB2 ARG 76 2HB ARG 76 -11.652 -6.318 0.685 620 HB3 ARG 76 3HB ARG 76 -10.951 -7.846 0.166 621 HG2 ARG 76 2HG ARG 76 -10.070 -8.142 2.490 622 HG3 ARG 76 3HG ARG 76 -10.989 -6.709 2.955 623 HD2 ARG 76 2HD ARG 76 -12.225 -8.722 3.500 624 HD3 ARG 76 3HD ARG 76 -13.059 -7.818 2.236 625 HE ARG 76 HE ARG 76 -11.560 -9.596 0.845 626 HH11 ARG 76 1HH1 ARG 76 -13.784 -9.950 3.446 627 HH12 ARG 76 2HH1 ARG 76 -14.270 -11.533 2.950 628 HH21 ARG 76 1HH2 ARG 76 -12.193 -11.614 0.226 629 HH22 ARG 76 2HH2 ARG 76 -13.382 -12.465 1.151 630 HA PRO 77 HA PRO 77 -8.359 -4.944 -3.283 631 HB2 PRO 77 2HB PRO 77 -8.097 -7.657 -4.420 632 HB3 PRO 77 3HB PRO 77 -6.954 -6.311 -4.451 633 HG2 PRO 77 2HG PRO 77 -6.552 -8.492 -2.927 634 HG3 PRO 77 3HG PRO 77 -6.029 -6.877 -2.413 635 HD2 PRO 77 2HD PRO 77 -8.416 -8.471 -1.545 636 HD3 PRO 77 3HD PRO 77 -7.343 -7.434 -0.582 637 H GLY 78 H GLY 78 -10.643 -4.367 -3.219 638 HA2 GLY 78 2HA GLY 78 -12.167 -4.977 -5.372 639 HA3 GLY 78 3HA GLY 78 -12.585 -6.258 -4.249 640 H GLN 79 H GLN 79 -11.987 -3.908 -2.158 641 HA GLN 79 HA GLN 79 -14.653 -3.324 -1.522 642 HB2 GLN 79 2HB GLN 79 -12.224 -1.652 -0.831 643 HB3 GLN 79 3HB GLN 79 -13.756 -1.676 0.030 644 HG2 GLN 79 2HG GLN 79 -11.849 -3.999 -0.196 645 HG3 GLN 79 3HG GLN 79 -11.983 -2.922 1.192 646 HE21 GLN 79 1HE2 GLN 79 -13.748 -3.111 2.546 647 HE22 GLN 79 2HE2 GLN 79 -14.803 -4.476 2.513 648 H ASP 80 H ASP 80 -15.980 -2.355 -2.983 649 HA ASP 80 HA ASP 80 -16.879 -0.821 -4.399 650 HB2 ASP 80 2HB ASP 80 -16.378 0.700 -2.480 651 HB3 ASP 80 3HB ASP 80 -14.826 1.074 -3.218 652 H GLY 81 H GLY 81 -14.488 -2.452 -5.133 653 HA2 GLY 81 2HA GLY 81 -13.580 -2.808 -7.270 654 HA3 GLY 81 3HA GLY 81 -13.906 -1.133 -7.677 655 H VAL 82 H VAL 82 -12.554 -0.354 -5.041 656 HA VAL 82 HA VAL 82 -9.892 -0.171 -6.261 657 HB VAL 82 HB VAL 82 -11.154 1.903 -5.617 658 HG11 VAL 82 1HG1 VAL 82 -10.579 0.983 -2.797 659 HG12 VAL 82 2HG1 VAL 82 -12.167 1.132 -3.551 660 HG13 VAL 82 3HG1 VAL 82 -11.197 2.574 -3.252 661 HG21 VAL 82 3HG2 VAL 82 -8.478 1.535 -4.257 662 HG22 VAL 82 1HG2 VAL 82 -9.221 3.077 -4.679 663 HG23 VAL 82 2HG2 VAL 82 -8.729 1.957 -5.950 664 H ILE 83 H ILE 83 -7.982 -0.151 -4.758 665 HA ILE 83 HA ILE 83 -8.266 -2.137 -2.582 666 HB ILE 83 HB ILE 83 -5.751 -1.582 -4.181 667 HG12 ILE 83 2HG1 ILE 83 -7.747 -3.840 -4.548 668 HG13 ILE 83 3HG1 ILE 83 -7.510 -2.497 -5.661 669 HG21 ILE 83 1HG2 ILE 83 -6.474 -3.872 -2.342 670 HG22 ILE 83 2HG2 ILE 83 -5.389 -2.538 -1.950 671 HG23 ILE 83 3HG2 ILE 83 -4.954 -3.683 -3.220 672 HD11 ILE 83 3HD1 ILE 83 -5.206 -3.263 -6.054 673 HD12 ILE 83 1HD1 ILE 83 -6.411 -4.474 -6.488 674 HD13 ILE 83 2HD1 ILE 83 -5.501 -4.636 -4.988 675 H ASN 84 H ASN 84 -7.483 -1.589 -0.571 676 HA ASN 84 HA ASN 84 -6.081 1.003 -0.321 677 HB2 ASN 84 2HB ASN 84 -8.034 -0.328 1.561 678 HB3 ASN 84 3HB ASN 84 -7.037 1.042 2.027 679 HD21 ASN 84 1HD2 ASN 84 -8.860 2.299 2.403 680 HD22 ASN 84 2HD2 ASN 84 -9.802 2.953 1.112 681 H GLY 85 H GLY 85 -4.281 1.168 0.965 682 HA2 GLY 85 2HA GLY 85 -3.387 -1.108 2.562 683 HA3 GLY 85 3HA GLY 85 -2.384 -0.690 1.183 684 H VAL 86 H VAL 86 -1.091 -0.603 3.487 685 HA VAL 86 HA VAL 86 -1.063 2.250 4.305 686 HB VAL 86 HB VAL 86 -0.137 -0.029 6.060 687 HG11 VAL 86 1HG1 VAL 86 -0.426 1.602 7.864 688 HG12 VAL 86 2HG1 VAL 86 -0.952 2.812 6.691 689 HG13 VAL 86 3HG1 VAL 86 0.700 2.189 6.638 690 HG21 VAL 86 3HG2 VAL 86 -2.290 0.090 7.220 691 HG22 VAL 86 1HG2 VAL 86 -2.477 -0.424 5.543 692 HG23 VAL 86 2HG2 VAL 86 -2.881 1.231 6.008 693 H LEU 87 H LEU 87 0.848 3.332 4.099 694 HA LEU 87 HA LEU 87 3.103 2.082 2.855 695 HB2 LEU 87 2HB LEU 87 2.478 4.440 2.479 696 HB3 LEU 87 3HB LEU 87 2.859 4.808 4.148 697 HG LEU 87 HG LEU 87 5.234 4.193 3.709 698 HD11 LEU 87 1HD1 LEU 87 4.339 4.007 0.829 699 HD12 LEU 87 2HD1 LEU 87 4.897 2.668 1.833 700 HD13 LEU 87 3HD1 LEU 87 6.010 3.965 1.399 701 HD21 LEU 87 3HD2 LEU 87 4.554 6.519 3.639 702 HD22 LEU 87 1HD2 LEU 87 4.082 6.359 1.945 703 HD23 LEU 87 2HD2 LEU 87 5.777 6.208 2.407 704 H ILE 88 H ILE 88 4.363 0.672 3.984 705 HA ILE 88 HA ILE 88 4.812 1.195 6.854 706 HB ILE 88 HB ILE 88 5.319 -1.155 7.120 707 HG12 ILE 88 2HG1 ILE 88 4.976 -1.275 4.122 708 HG13 ILE 88 3HG1 ILE 88 6.415 -1.659 5.039 709 HG21 ILE 88 1HG2 ILE 88 2.976 -0.438 7.256 710 HG22 ILE 88 2HG2 ILE 88 3.107 -2.087 6.635 711 HG23 ILE 88 3HG2 ILE 88 2.779 -0.751 5.527 712 HD11 ILE 88 3HD1 ILE 88 5.342 -3.666 4.238 713 HD12 ILE 88 1HD1 ILE 88 3.847 -3.221 5.061 714 HD13 ILE 88 2HD1 ILE 88 5.293 -3.598 5.998 715 H ARG 89 H ARG 89 6.933 0.134 7.650 716 HA ARG 89 HA ARG 89 9.181 0.750 5.866 717 HB2 ARG 89 2HB ARG 89 8.607 2.173 8.468 718 HB3 ARG 89 3HB ARG 89 10.239 2.053 7.835 719 HG2 ARG 89 2HG ARG 89 9.611 4.111 7.054 720 HG3 ARG 89 3HG ARG 89 9.192 3.093 5.679 721 HD2 ARG 89 2HD ARG 89 6.850 3.084 6.382 722 HD3 ARG 89 3HD ARG 89 7.259 4.041 7.807 723 HE ARG 89 HE ARG 89 8.054 5.302 5.363 724 HH11 ARG 89 1HH1 ARG 89 5.337 4.797 7.431 725 HH12 ARG 89 2HH1 ARG 89 4.561 6.263 6.939 726 HH21 ARG 89 1HH2 ARG 89 7.046 7.154 4.753 727 HH22 ARG 89 2HH2 ARG 89 5.503 7.569 5.427 728 H GLU 90 H GLU 90 7.989 -1.636 7.490 729 HA GLU 90 HA GLU 90 9.949 -2.244 9.486 730 HB2 GLU 90 2HB GLU 90 7.909 -4.044 8.161 731 HB3 GLU 90 3HB GLU 90 8.901 -4.504 9.537 732 HG2 GLU 90 2HG GLU 90 6.831 -3.928 10.453 733 HG3 GLU 90 3HG GLU 90 7.858 -2.531 10.762 734 H LEU 91 H LEU 91 10.036 -2.553 6.102 735 HA LEU 91 HA LEU 91 11.385 -4.990 5.747 736 HB2 LEU 91 2HB LEU 91 11.924 -4.248 3.540 737 HB3 LEU 91 3HB LEU 91 10.298 -3.717 3.925 738 HG LEU 91 HG LEU 91 12.630 -1.843 4.267 739 HD11 LEU 91 1HD1 LEU 91 11.118 -2.334 1.701 740 HD12 LEU 91 2HD1 LEU 91 12.822 -2.684 1.996 741 HD13 LEU 91 3HD1 LEU 91 12.254 -1.015 1.991 742 HD21 LEU 91 3HD2 LEU 91 9.684 -1.439 3.734 743 HD22 LEU 91 1HD2 LEU 91 10.883 -0.144 3.777 744 HD23 LEU 91 2HD2 LEU 91 10.556 -1.087 5.228 745 H GLU 92 H GLU 92 13.639 -4.776 4.415 746 HA GLU 92 HA GLU 92 15.700 -4.705 6.198 747 HB2 GLU 92 2HB GLU 92 15.801 -5.646 3.929 748 HB3 GLU 92 3HB GLU 92 15.827 -4.028 3.249 749 HG2 GLU 92 2HG GLU 92 17.994 -3.603 4.237 750 HG3 GLU 92 3HG GLU 92 17.954 -5.162 5.060 751 H HIS 93 H HIS 93 16.302 -3.099 7.518 752 HA HIS 93 HA HIS 93 15.911 -0.312 6.785 753 HB2 HIS 93 2HB HIS 93 17.064 -1.421 9.357 754 HB3 HIS 93 3HB HIS 93 16.424 0.197 9.091 755 HD1 HIS 93 HD1 HIS 93 13.942 0.520 9.428 756 HD2 HIS 93 HD2 HIS 93 15.059 -3.479 9.440 757 HE1 HIS 93 HE1 HIS 93 11.901 -0.745 10.143 758 HE2 HIS 93 HE2 HIS 93 12.533 -3.157 9.862 759 H HIS 94 H HIS 94 17.452 1.025 6.043 760 HA HIS 94 HA HIS 94 20.207 0.067 5.881 761 HB2 HIS 94 2HB HIS 94 19.169 1.033 3.872 762 HB3 HIS 94 3HB HIS 94 18.918 2.553 4.721 763 HD1 HIS 94 HD1 HIS 94 21.749 0.352 3.482 764 HD2 HIS 94 HD2 HIS 94 21.024 4.303 4.556 765 HE1 HIS 94 HE1 HIS 94 23.846 1.603 2.902 766 HE2 HIS 94 HE2 HIS 94 23.356 4.003 3.470 767 H HIS 95 H HIS 95 20.550 0.216 8.209 768 HA HIS 95 HA HIS 95 21.625 1.126 9.992 769 HB2 HIS 95 2HB HIS 95 23.071 2.207 8.279 770 HB3 HIS 95 3HB HIS 95 22.000 3.602 8.293 771 HD1 HIS 95 HD1 HIS 95 21.856 4.869 10.720 772 HD2 HIS 95 HD2 HIS 95 25.065 2.289 10.135 773 HE1 HIS 95 HE1 HIS 95 23.553 5.503 12.453 774 HE2 HIS 95 HE2 HIS 95 25.531 4.021 11.998 775 H HIS 96 H HIS 96 18.958 2.832 8.604 776 HA HIS 96 HA HIS 96 18.640 4.926 10.444 777 HB2 HIS 96 2HB HIS 96 17.510 4.976 8.314 778 HB3 HIS 96 3HB HIS 96 16.629 3.500 8.690 779 HD1 HIS 96 HD1 HIS 96 14.518 3.708 10.080 780 HD2 HIS 96 HD2 HIS 96 16.549 7.305 9.650 781 HE1 HIS 96 HE1 HIS 96 12.954 5.465 10.938 782 HE2 HIS 96 HE2 HIS 96 14.305 7.583 10.906 783 H HIS 97 H HIS 97 18.554 4.547 12.593 784 HA HIS 97 HA HIS 97 16.640 2.551 13.609 785 HB2 HIS 97 2HB HIS 97 18.843 4.077 15.023 786 HB3 HIS 97 3HB HIS 97 17.719 2.992 15.833 787 HD1 HIS 97 HD1 HIS 97 20.626 2.991 13.461 788 HD2 HIS 97 HD2 HIS 97 18.258 0.271 15.523 789 HE1 HIS 97 HE1 HIS 97 21.802 0.785 13.258 790 HE2 HIS 97 HE2 HIS 97 20.472 -0.782 14.693 791 H HIS 98 H HIS 98 17.482 5.988 13.889 792 HA HIS 98 HA HIS 98 14.697 6.536 14.712 793 HB2 HIS 98 2HB HIS 98 16.137 6.789 16.682 794 HB3 HIS 98 3HB HIS 98 17.192 7.883 15.796 795 HD1 HIS 98 HD1 HIS 98 14.024 7.754 17.702 796 HD2 HIS 98 HD2 HIS 98 16.090 10.485 15.357 797 HE1 HIS 98 HE1 HIS 98 12.917 9.964 18.119 798 HE2 HIS 98 HE2 HIS 98 14.002 11.522 16.471 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -64.165 -2.921 -26.563 2 H2 GLY 1 2H GLY 1 -63.337 -2.981 -28.034 3 H3 GLY 1 3H GLY 1 -62.941 -1.803 -26.889 4 HA2 GLY 1 2HA GLY 1 -62.117 -3.468 -25.371 5 HA3 GLY 1 3HA GLY 1 -62.603 -4.729 -26.494 6 H ASP 2 H ASP 2 -60.266 -2.198 -25.838 7 HA ASP 2 HA ASP 2 -58.841 -2.480 -28.307 8 HB2 ASP 2 2HB ASP 2 -57.196 -0.974 -27.301 9 HB3 ASP 2 3HB ASP 2 -58.830 -0.373 -27.042 10 H ARG 3 H ARG 3 -56.510 -3.016 -28.379 11 HA ARG 3 HA ARG 3 -55.386 -4.686 -26.313 12 HB2 ARG 3 2HB ARG 3 -55.077 -6.691 -27.562 13 HB3 ARG 3 3HB ARG 3 -56.782 -6.289 -27.677 14 HG2 ARG 3 2HG ARG 3 -54.743 -5.693 -29.819 15 HG3 ARG 3 3HG ARG 3 -55.782 -7.118 -29.790 16 HD2 ARG 3 2HD ARG 3 -57.764 -5.670 -29.874 17 HD3 ARG 3 3HD ARG 3 -56.718 -4.247 -29.912 18 HE ARG 3 HE ARG 3 -55.859 -5.134 -32.064 19 HH11 ARG 3 1HH1 ARG 3 -58.947 -6.178 -30.940 20 HH12 ARG 3 2HH1 ARG 3 -59.540 -6.485 -32.533 21 HH21 ARG 3 1HH2 ARG 3 -56.626 -5.560 -34.093 22 HH22 ARG 3 2HH2 ARG 3 -58.235 -6.156 -34.300 23 H ARG 4 H ARG 4 -53.101 -5.158 -26.714 24 HA ARG 4 HA ARG 4 -51.743 -3.888 -28.897 25 HB2 ARG 4 2HB ARG 4 -52.375 -1.890 -27.725 26 HB3 ARG 4 3HB ARG 4 -51.809 -2.539 -26.198 27 HG2 ARG 4 2HG ARG 4 -49.522 -2.347 -26.878 28 HG3 ARG 4 3HG ARG 4 -49.997 -1.932 -28.531 29 HD2 ARG 4 2HD ARG 4 -49.311 -0.022 -26.920 30 HD3 ARG 4 3HD ARG 4 -50.752 0.190 -27.915 31 HE ARG 4 HE ARG 4 -51.393 -0.952 -25.387 32 HH11 ARG 4 1HH1 ARG 4 -50.554 2.047 -26.853 33 HH12 ARG 4 2HH1 ARG 4 -51.452 2.977 -25.705 34 HH21 ARG 4 1HH2 ARG 4 -52.583 0.241 -23.966 35 HH22 ARG 4 2HH2 ARG 4 -52.596 1.967 -24.093 36 H VAL 5 H VAL 5 -50.377 -5.538 -29.206 37 HA VAL 5 HA VAL 5 -49.235 -7.081 -27.089 38 HB VAL 5 HB VAL 5 -47.931 -8.209 -28.865 39 HG11 VAL 5 1HG1 VAL 5 -50.849 -7.806 -29.545 40 HG12 VAL 5 2HG1 VAL 5 -50.201 -8.961 -28.380 41 HG13 VAL 5 3HG1 VAL 5 -49.840 -9.144 -30.096 42 HG21 VAL 5 3HG2 VAL 5 -47.491 -6.298 -30.323 43 HG22 VAL 5 1HG2 VAL 5 -49.207 -6.186 -30.719 44 HG23 VAL 5 2HG2 VAL 5 -48.275 -7.595 -31.225 45 H ARG 6 H ARG 6 -47.316 -6.890 -26.063 46 HA ARG 6 HA ARG 6 -45.421 -4.836 -27.022 47 HB2 ARG 6 2HB ARG 6 -46.154 -5.446 -24.147 48 HB3 ARG 6 3HB ARG 6 -44.910 -4.313 -24.656 49 HG2 ARG 6 2HG ARG 6 -47.797 -4.009 -25.463 50 HG3 ARG 6 3HG ARG 6 -47.155 -3.338 -23.967 51 HD2 ARG 6 2HD ARG 6 -47.181 -1.637 -25.684 52 HD3 ARG 6 3HD ARG 6 -45.516 -2.040 -25.273 53 HE ARG 6 HE ARG 6 -46.333 -3.576 -27.483 54 HH11 ARG 6 1HH1 ARG 6 -45.598 -0.312 -26.677 55 HH12 ARG 6 2HH1 ARG 6 -45.041 0.064 -28.270 56 HH21 ARG 6 1HH2 ARG 6 -45.624 -3.086 -29.507 57 HH22 ARG 6 2HH2 ARG 6 -45.077 -1.485 -29.867 58 H LEU 7 H LEU 7 -43.962 -6.217 -27.969 59 HA LEU 7 HA LEU 7 -42.843 -8.416 -26.367 60 HB2 LEU 7 2HB LEU 7 -42.455 -7.705 -29.285 61 HB3 LEU 7 3HB LEU 7 -41.703 -9.069 -28.483 62 HG LEU 7 HG LEU 7 -43.528 -9.941 -29.719 63 HD11 LEU 7 1HD1 LEU 7 -44.961 -10.919 -28.021 64 HD12 LEU 7 2HD1 LEU 7 -44.444 -9.699 -26.857 65 HD13 LEU 7 3HD1 LEU 7 -43.285 -10.877 -27.473 66 HD21 LEU 7 3HD2 LEU 7 -45.821 -9.128 -29.559 67 HD22 LEU 7 1HD2 LEU 7 -44.742 -7.847 -30.106 68 HD23 LEU 7 2HD2 LEU 7 -45.312 -7.865 -28.438 69 H ILE 8 H ILE 8 -42.244 -5.198 -26.943 70 HA ILE 8 HA ILE 8 -39.441 -5.128 -27.242 71 HB ILE 8 HB ILE 8 -40.715 -3.175 -27.763 72 HG12 ILE 8 2HG1 ILE 8 -39.509 -1.428 -26.462 73 HG13 ILE 8 3HG1 ILE 8 -38.994 -2.662 -25.318 74 HG21 ILE 8 1HG2 ILE 8 -41.911 -1.846 -26.089 75 HG22 ILE 8 2HG2 ILE 8 -41.539 -3.055 -24.862 76 HG23 ILE 8 3HG2 ILE 8 -42.576 -3.472 -26.226 77 HD11 ILE 8 3HD1 ILE 8 -37.223 -2.122 -26.878 78 HD12 ILE 8 1HD1 ILE 8 -38.265 -2.542 -28.238 79 HD13 ILE 8 2HD1 ILE 8 -37.755 -3.787 -27.098 80 H ARG 9 H ARG 9 -38.467 -6.559 -25.825 81 HA ARG 9 HA ARG 9 -38.625 -5.958 -22.949 82 HB2 ARG 9 2HB ARG 9 -37.730 -8.389 -24.487 83 HB3 ARG 9 3HB ARG 9 -37.306 -8.174 -22.795 84 HG2 ARG 9 2HG ARG 9 -40.109 -8.285 -23.913 85 HG3 ARG 9 3HG ARG 9 -39.280 -9.580 -23.041 86 HD2 ARG 9 2HD ARG 9 -39.068 -8.053 -21.088 87 HD3 ARG 9 3HD ARG 9 -40.033 -6.861 -21.957 88 HE ARG 9 HE ARG 9 -41.476 -9.250 -21.870 89 HH11 ARG 9 1HH1 ARG 9 -40.282 -6.856 -19.717 90 HH12 ARG 9 2HH1 ARG 9 -41.557 -7.079 -18.575 91 HH21 ARG 9 1HH2 ARG 9 -43.098 -9.562 -20.395 92 HH22 ARG 9 2HH2 ARG 9 -43.130 -8.619 -18.947 93 H THR 10 H THR 10 -37.031 -4.900 -21.965 94 HA THR 10 HA THR 10 -34.600 -4.238 -23.378 95 HB THR 10 HB THR 10 -35.560 -2.534 -21.953 96 HG1 THR 10 HG1 THR 10 -33.635 -1.884 -21.344 97 HG21 THR 10 3HG2 THR 10 -35.629 -2.765 -19.507 98 HG22 THR 10 1HG2 THR 10 -35.089 -4.437 -19.648 99 HG23 THR 10 2HG2 THR 10 -36.660 -3.961 -20.295 100 H ARG 11 H ARG 11 -32.514 -4.889 -22.914 101 HA ARG 11 HA ARG 11 -32.163 -7.082 -20.966 102 HB2 ARG 11 2HB ARG 11 -32.522 -7.968 -23.300 103 HB3 ARG 11 3HB ARG 11 -31.054 -7.131 -23.785 104 HG2 ARG 11 2HG ARG 11 -29.785 -8.487 -22.142 105 HG3 ARG 11 3HG ARG 11 -31.269 -9.368 -21.770 106 HD2 ARG 11 2HD ARG 11 -31.401 -9.972 -24.215 107 HD3 ARG 11 3HD ARG 11 -29.789 -9.281 -24.402 108 HE ARG 11 HE ARG 11 -30.316 -11.509 -22.548 109 HH11 ARG 11 1HH1 ARG 11 -28.453 -10.099 -25.088 110 HH12 ARG 11 2HH1 ARG 11 -27.387 -11.453 -25.189 111 HH21 ARG 11 1HH2 ARG 11 -28.947 -13.221 -22.692 112 HH22 ARG 11 2HH2 ARG 11 -27.660 -13.202 -23.847 113 H GLY 12 H GLY 12 -30.369 -6.825 -19.716 114 HA2 GLY 12 2HA GLY 12 -27.858 -6.014 -20.428 115 HA3 GLY 12 3HA GLY 12 -28.701 -4.506 -20.132 116 H GLY 13 H GLY 13 -26.423 -5.870 -18.758 117 HA2 GLY 13 2HA GLY 13 -26.767 -4.988 -16.185 118 HA3 GLY 13 3HA GLY 13 -27.361 -6.638 -16.149 119 H ASN 14 H ASN 14 -24.528 -4.612 -16.575 120 HA ASN 14 HA ASN 14 -22.810 -7.019 -16.416 121 HB2 ASN 14 2HB ASN 14 -22.155 -4.346 -17.687 122 HB3 ASN 14 3HB ASN 14 -21.085 -5.743 -17.614 123 HD21 ASN 14 1HD2 ASN 14 -21.574 -7.570 -18.881 124 HD22 ASN 14 2HD2 ASN 14 -22.636 -7.458 -20.240 125 H THR 15 H THR 15 -20.574 -6.502 -15.526 126 HA THR 15 HA THR 15 -20.614 -4.495 -13.374 127 HB THR 15 HB THR 15 -19.965 -7.435 -13.017 128 HG1 THR 15 HG1 THR 15 -21.892 -7.445 -12.156 129 HG21 THR 15 3HG2 THR 15 -19.479 -5.177 -11.054 130 HG22 THR 15 1HG2 THR 15 -18.234 -6.113 -11.882 131 HG23 THR 15 2HG2 THR 15 -19.296 -6.899 -10.715 132 H LYS 16 H LYS 16 -18.656 -3.532 -12.950 133 HA LYS 16 HA LYS 16 -16.641 -3.643 -14.945 134 HB2 LYS 16 2HB LYS 16 -16.634 -2.339 -12.214 135 HB3 LYS 16 3HB LYS 16 -15.396 -2.087 -13.439 136 HG2 LYS 16 2HG LYS 16 -17.071 -1.134 -14.946 137 HG3 LYS 16 3HG LYS 16 -18.322 -1.407 -13.734 138 HD2 LYS 16 2HD LYS 16 -17.592 0.920 -13.705 139 HD3 LYS 16 3HD LYS 16 -17.160 0.118 -12.195 140 HE2 LYS 16 2HE LYS 16 -14.862 -0.165 -12.998 141 HE3 LYS 16 3HE LYS 16 -15.290 0.621 -14.519 142 HZ1 LYS 16 3HZ LYS 16 -15.819 2.631 -13.269 143 HZ2 LYS 16 1HZ LYS 16 -14.215 2.165 -13.021 144 HZ3 LYS 16 2HZ LYS 16 -15.369 1.875 -11.825 145 H VAL 17 H VAL 17 -14.444 -4.241 -14.781 146 HA VAL 17 HA VAL 17 -14.012 -6.706 -13.344 147 HB VAL 17 HB VAL 17 -12.114 -5.156 -15.128 148 HG11 VAL 17 1HG1 VAL 17 -12.030 -8.037 -14.218 149 HG12 VAL 17 2HG1 VAL 17 -10.943 -6.750 -13.697 150 HG13 VAL 17 3HG1 VAL 17 -10.928 -7.291 -15.377 151 HG21 VAL 17 3HG2 VAL 17 -13.939 -7.463 -15.826 152 HG22 VAL 17 1HG2 VAL 17 -12.809 -6.662 -16.916 153 HG23 VAL 17 2HG2 VAL 17 -14.199 -5.779 -16.281 154 H ARG 18 H ARG 18 -12.526 -7.108 -11.703 155 HA ARG 18 HA ARG 18 -12.017 -5.100 -9.826 156 HB2 ARG 18 2HB ARG 18 -10.434 -6.799 -8.786 157 HB3 ARG 18 3HB ARG 18 -12.098 -7.311 -9.022 158 HG2 ARG 18 2HG ARG 18 -10.832 -9.160 -9.663 159 HG3 ARG 18 3HG ARG 18 -11.284 -8.404 -11.187 160 HD2 ARG 18 2HD ARG 18 -9.056 -7.320 -11.263 161 HD3 ARG 18 3HD ARG 18 -8.618 -8.170 -9.781 162 HE ARG 18 HE ARG 18 -9.504 -9.889 -11.916 163 HH11 ARG 18 1HH1 ARG 18 -6.784 -8.345 -10.472 164 HH12 ARG 18 2HH1 ARG 18 -5.653 -9.450 -11.161 165 HH21 ARG 18 1HH2 ARG 18 -8.042 -11.260 -12.841 166 HH22 ARG 18 2HH2 ARG 18 -6.355 -11.060 -12.517 167 H LEU 19 H LEU 19 -10.257 -5.836 -12.659 168 HA LEU 19 HA LEU 19 -8.560 -3.571 -12.295 169 HB2 LEU 19 2HB LEU 19 -7.347 -5.348 -10.990 170 HB3 LEU 19 3HB LEU 19 -7.164 -6.258 -12.477 171 HG LEU 19 HG LEU 19 -6.091 -3.447 -12.264 172 HD11 LEU 19 1HD1 LEU 19 -5.173 -4.649 -10.353 173 HD12 LEU 19 2HD1 LEU 19 -3.929 -4.370 -11.569 174 HD13 LEU 19 3HD1 LEU 19 -4.660 -5.967 -11.407 175 HD21 LEU 19 3HD2 LEU 19 -4.498 -4.245 -13.948 176 HD22 LEU 19 1HD2 LEU 19 -6.163 -4.438 -14.494 177 HD23 LEU 19 2HD2 LEU 19 -5.257 -5.837 -13.919 178 H ALA 20 H ALA 20 -8.978 -2.696 -14.235 179 HA ALA 20 HA ALA 20 -8.682 -4.413 -16.623 180 HB1 ALA 20 3HB ALA 20 -10.507 -3.211 -17.683 181 HB2 ALA 20 1HB ALA 20 -10.684 -2.185 -16.257 182 HB3 ALA 20 2HB ALA 20 -11.040 -3.907 -16.152 183 H SER 21 H SER 21 -6.747 -2.458 -15.313 184 HA SER 21 HA SER 21 -5.920 -1.220 -17.800 185 HB2 SER 21 2HB SER 21 -7.421 0.510 -16.943 186 HB3 SER 21 3HB SER 21 -6.542 0.539 -15.414 187 HG SER 21 HG SER 21 -5.104 1.786 -16.296 188 H ASP 22 H ASP 22 -5.103 -0.471 -14.391 189 HA ASP 22 HA ASP 22 -2.415 -1.557 -14.826 190 HB2 ASP 22 2HB ASP 22 -1.467 0.617 -13.854 191 HB3 ASP 22 3HB ASP 22 -2.028 0.658 -15.522 192 H THR 23 H THR 23 -1.052 -1.082 -12.691 193 HA THR 23 HA THR 23 -2.689 -2.127 -10.469 194 HB THR 23 HB THR 23 -0.496 -2.799 -9.458 195 HG1 THR 23 HG1 THR 23 0.980 -1.459 -10.406 196 HG21 THR 23 3HG2 THR 23 -0.036 -4.656 -10.998 197 HG22 THR 23 1HG2 THR 23 -0.999 -3.862 -12.244 198 HG23 THR 23 2HG2 THR 23 -1.771 -4.428 -10.761 199 H ARG 24 H ARG 24 -3.354 -0.609 -9.084 200 HA ARG 24 HA ARG 24 -1.368 1.164 -7.867 201 HB2 ARG 24 2HB ARG 24 -3.946 2.106 -9.131 202 HB3 ARG 24 3HB ARG 24 -3.120 3.036 -7.888 203 HG2 ARG 24 2HG ARG 24 -1.129 3.179 -9.322 204 HG3 ARG 24 3HG ARG 24 -1.974 2.260 -10.572 205 HD2 ARG 24 2HD ARG 24 -2.884 4.921 -9.459 206 HD3 ARG 24 3HD ARG 24 -2.002 4.710 -10.970 207 HE ARG 24 HE ARG 24 -3.930 3.402 -11.761 208 HH11 ARG 24 1HH1 ARG 24 -4.404 5.595 -9.139 209 HH12 ARG 24 2HH1 ARG 24 -6.099 5.745 -9.438 210 HH21 ARG 24 1HH2 ARG 24 -6.092 3.643 -12.142 211 HH22 ARG 24 2HH2 ARG 24 -7.041 4.660 -11.111 212 H ILE 25 H ILE 25 -2.196 2.166 -5.830 213 HA ILE 25 HA ILE 25 -4.443 0.805 -4.568 214 HB ILE 25 HB ILE 25 -2.599 -0.750 -4.189 215 HG12 ILE 25 2HG1 ILE 25 -3.303 0.770 -1.658 216 HG13 ILE 25 3HG1 ILE 25 -4.304 -0.467 -2.418 217 HG21 ILE 25 1HG2 ILE 25 -1.172 1.557 -2.855 218 HG22 ILE 25 2HG2 ILE 25 -0.731 0.810 -4.391 219 HG23 ILE 25 3HG2 ILE 25 -0.616 -0.119 -2.896 220 HD11 ILE 25 3HD1 ILE 25 -3.099 -1.359 -0.515 221 HD12 ILE 25 1HD1 ILE 25 -1.563 -0.883 -1.240 222 HD13 ILE 25 2HD1 ILE 25 -2.557 -2.126 -2.007 223 H ASN 26 H ASN 26 -5.355 1.955 -2.887 224 HA ASN 26 HA ASN 26 -4.552 4.665 -2.432 225 HB2 ASN 26 2HB ASN 26 -6.563 2.911 -0.993 226 HB3 ASN 26 3HB ASN 26 -6.339 4.628 -0.674 227 HD21 ASN 26 1HD2 ASN 26 -8.493 5.001 -1.251 228 HD22 ASN 26 2HD2 ASN 26 -8.994 5.025 -2.903 229 H VAL 27 H VAL 27 -2.659 4.995 -1.421 230 HA VAL 27 HA VAL 27 -1.787 3.234 0.732 231 HB VAL 27 HB VAL 27 -0.343 5.552 -0.576 232 HG11 VAL 27 1HG1 VAL 27 0.532 5.083 1.644 233 HG12 VAL 27 2HG1 VAL 27 1.681 4.566 0.411 234 HG13 VAL 27 3HG1 VAL 27 0.688 3.371 1.245 235 HG21 VAL 27 3HG2 VAL 27 -0.823 3.790 -2.184 236 HG22 VAL 27 1HG2 VAL 27 -0.128 2.584 -1.098 237 HG23 VAL 27 2HG2 VAL 27 0.901 3.829 -1.808 238 H VAL 28 H VAL 28 -2.459 3.681 2.721 239 HA VAL 28 HA VAL 28 -2.811 6.448 3.605 240 HB VAL 28 HB VAL 28 -3.385 3.875 5.104 241 HG11 VAL 28 1HG1 VAL 28 -3.001 5.773 6.593 242 HG12 VAL 28 2HG1 VAL 28 -4.700 5.301 6.607 243 HG13 VAL 28 3HG1 VAL 28 -4.188 6.726 5.705 244 HG21 VAL 28 3HG2 VAL 28 -4.799 4.069 3.117 245 HG22 VAL 28 1HG2 VAL 28 -5.280 5.695 3.606 246 HG23 VAL 28 2HG2 VAL 28 -5.745 4.305 4.587 247 H ASP 29 H ASP 29 -1.073 7.440 4.374 248 HA ASP 29 HA ASP 29 1.217 6.016 5.364 249 HB2 ASP 29 2HB ASP 29 1.583 7.993 4.051 250 HB3 ASP 29 3HB ASP 29 0.583 8.959 5.134 251 HA PRO 30 HA PRO 30 -0.320 6.158 9.585 252 HB2 PRO 30 2HB PRO 30 1.406 4.414 10.643 253 HB3 PRO 30 3HB PRO 30 0.138 3.889 9.527 254 HG2 PRO 30 2HG PRO 30 3.047 4.374 8.998 255 HG3 PRO 30 3HG PRO 30 2.014 3.053 8.426 256 HD2 PRO 30 2HD PRO 30 2.660 5.286 6.935 257 HD3 PRO 30 3HD PRO 30 1.222 4.280 6.664 258 H GLU 31 H GLU 31 2.550 7.503 8.404 259 HA GLU 31 HA GLU 31 3.706 8.160 10.987 260 HB2 GLU 31 2HB GLU 31 4.440 9.127 8.212 261 HB3 GLU 31 3HB GLU 31 5.353 9.461 9.678 262 HG2 GLU 31 2HG GLU 31 5.660 6.985 9.944 263 HG3 GLU 31 3HG GLU 31 4.939 6.791 8.346 264 H THR 32 H THR 32 1.992 9.924 8.392 265 HA THR 32 HA THR 32 1.522 12.120 10.327 266 HB THR 32 HB THR 32 1.578 13.755 8.553 267 HG1 THR 32 HG1 THR 32 1.496 13.231 6.486 268 HG21 THR 32 3HG2 THR 32 3.966 11.912 8.313 269 HG22 THR 32 1HG2 THR 32 3.743 13.155 9.547 270 HG23 THR 32 2HG2 THR 32 3.921 13.616 7.854 271 H GLY 33 H GLY 33 0.023 9.802 8.333 272 HA2 GLY 33 2HA GLY 33 -2.262 9.314 8.318 273 HA3 GLY 33 3HA GLY 33 -2.590 10.887 9.020 274 H LYS 34 H LYS 34 -0.613 10.689 6.164 275 HA LYS 34 HA LYS 34 -2.708 12.018 4.607 276 HB2 LYS 34 2HB LYS 34 -0.868 12.369 2.940 277 HB3 LYS 34 3HB LYS 34 -0.556 13.078 4.519 278 HG2 LYS 34 2HG LYS 34 0.899 11.221 5.101 279 HG3 LYS 34 3HG LYS 34 0.549 10.441 3.559 280 HD2 LYS 34 2HD LYS 34 1.680 12.151 2.342 281 HD3 LYS 34 3HD LYS 34 1.798 13.181 3.771 282 HE2 LYS 34 2HE LYS 34 3.156 10.498 3.452 283 HE3 LYS 34 3HE LYS 34 3.934 12.062 3.207 284 HZ1 LYS 34 3HZ LYS 34 3.512 12.612 5.508 285 HZ2 LYS 34 1HZ LYS 34 4.371 11.158 5.416 286 HZ3 LYS 34 2HZ LYS 34 2.713 11.142 5.758 287 H VAL 35 H VAL 35 -3.524 11.232 2.644 288 HA VAL 35 HA VAL 35 -2.949 8.383 2.072 289 HB VAL 35 HB VAL 35 -5.542 9.870 1.562 290 HG11 VAL 35 1HG1 VAL 35 -4.883 6.931 1.282 291 HG12 VAL 35 2HG1 VAL 35 -5.125 8.064 -0.046 292 HG13 VAL 35 3HG1 VAL 35 -6.466 7.670 1.029 293 HG21 VAL 35 3HG2 VAL 35 -6.480 8.531 3.379 294 HG22 VAL 35 1HG2 VAL 35 -5.152 9.535 3.958 295 HG23 VAL 35 2HG2 VAL 35 -4.899 7.811 3.681 296 H GLU 36 H GLU 36 -2.302 7.848 0.049 297 HA GLU 36 HA GLU 36 -2.847 9.631 -2.204 298 HB2 GLU 36 2HB GLU 36 -0.696 10.420 -1.255 299 HB3 GLU 36 3HB GLU 36 -0.025 8.809 -1.462 300 HG2 GLU 36 2HG GLU 36 0.705 10.312 -3.230 301 HG3 GLU 36 3HG GLU 36 -0.274 8.996 -3.878 302 H ILE 37 H ILE 37 -2.885 8.572 -4.207 303 HA ILE 37 HA ILE 37 -3.013 5.660 -4.069 304 HB ILE 37 HB ILE 37 -3.566 7.485 -6.425 305 HG12 ILE 37 2HG1 ILE 37 -5.500 6.244 -4.441 306 HG13 ILE 37 3HG1 ILE 37 -5.059 7.947 -4.500 307 HG21 ILE 37 1HG2 ILE 37 -4.795 5.554 -7.330 308 HG22 ILE 37 2HG2 ILE 37 -4.269 4.587 -5.950 309 HG23 ILE 37 3HG2 ILE 37 -3.081 5.198 -7.105 310 HD11 ILE 37 3HD1 ILE 37 -6.518 6.416 -6.646 311 HD12 ILE 37 1HD1 ILE 37 -6.059 8.117 -6.730 312 HD13 ILE 37 2HD1 ILE 37 -7.219 7.576 -5.518 313 H ALA 38 H ALA 38 -1.180 4.520 -4.347 314 HA ALA 38 HA ALA 38 0.914 5.568 -6.156 315 HB1 ALA 38 3HB ALA 38 2.519 4.324 -4.831 316 HB2 ALA 38 1HB ALA 38 1.220 3.633 -3.857 317 HB3 ALA 38 2HB ALA 38 1.554 5.362 -3.784 318 H GLU 39 H GLU 39 2.119 4.056 -7.459 319 HA GLU 39 HA GLU 39 0.433 1.953 -8.535 320 HB2 GLU 39 2HB GLU 39 3.199 2.787 -9.442 321 HB3 GLU 39 3HB GLU 39 2.064 1.783 -10.328 322 HG2 GLU 39 2HG GLU 39 1.740 3.767 -11.392 323 HG3 GLU 39 3HG GLU 39 0.523 3.916 -10.125 324 H ILE 40 H ILE 40 0.546 -0.110 -7.930 325 HA ILE 40 HA ILE 40 2.603 -1.136 -6.217 326 HB ILE 40 HB ILE 40 0.462 -2.651 -7.737 327 HG12 ILE 40 2HG1 ILE 40 0.471 -1.624 -4.880 328 HG13 ILE 40 3HG1 ILE 40 -0.480 -0.957 -6.202 329 HG21 ILE 40 1HG2 ILE 40 2.189 -3.490 -5.400 330 HG22 ILE 40 2HG2 ILE 40 2.272 -4.117 -7.047 331 HG23 ILE 40 3HG2 ILE 40 0.844 -4.424 -6.058 332 HD11 ILE 40 3HD1 ILE 40 -0.758 -3.723 -5.046 333 HD12 ILE 40 1HD1 ILE 40 -1.713 -3.059 -6.373 334 HD13 ILE 40 2HD1 ILE 40 -1.835 -2.356 -4.758 335 H ARG 41 H ARG 41 4.594 -1.736 -6.902 336 HA ARG 41 HA ARG 41 5.104 -2.231 -9.710 337 HB2 ARG 41 2HB ARG 41 6.973 -2.427 -7.329 338 HB3 ARG 41 3HB ARG 41 7.459 -2.453 -9.020 339 HG2 ARG 41 2HG ARG 41 6.687 -0.167 -9.308 340 HG3 ARG 41 3HG ARG 41 6.106 -0.134 -7.640 341 HD2 ARG 41 2HD ARG 41 8.293 0.986 -7.906 342 HD3 ARG 41 3HD ARG 41 8.364 -0.387 -6.802 343 HE ARG 41 HE ARG 41 9.194 -0.685 -9.609 344 HH11 ARG 41 1HH1 ARG 41 9.983 -0.706 -6.250 345 HH12 ARG 41 2HH1 ARG 41 11.474 -1.548 -6.493 346 HH21 ARG 41 1HH2 ARG 41 11.127 -1.710 -9.913 347 HH22 ARG 41 2HH2 ARG 41 12.130 -2.080 -8.553 348 H ASN 42 H ASN 42 5.558 -4.146 -6.715 349 HA ASN 42 HA ASN 42 4.900 -6.580 -8.196 350 HB2 ASN 42 2HB ASN 42 7.505 -6.242 -6.680 351 HB3 ASN 42 3HB ASN 42 6.870 -7.792 -7.220 352 HD21 ASN 42 1HD2 ASN 42 8.465 -4.889 -8.147 353 HD22 ASN 42 2HD2 ASN 42 8.776 -5.344 -9.783 354 H VAL 43 H VAL 43 4.285 -8.360 -6.858 355 HA VAL 43 HA VAL 43 3.141 -7.502 -4.312 356 HB VAL 43 HB VAL 43 1.738 -8.675 -5.997 357 HG11 VAL 43 1HG1 VAL 43 1.996 -11.081 -6.358 358 HG12 VAL 43 2HG1 VAL 43 3.466 -11.072 -5.384 359 HG13 VAL 43 3HG1 VAL 43 3.411 -10.184 -6.906 360 HG21 VAL 43 3HG2 VAL 43 1.075 -8.716 -3.645 361 HG22 VAL 43 1HG2 VAL 43 2.025 -10.180 -3.389 362 HG23 VAL 43 2HG2 VAL 43 0.621 -10.217 -4.453 363 H VAL 44 H VAL 44 6.095 -8.432 -4.919 364 HA VAL 44 HA VAL 44 6.557 -10.717 -3.310 365 HB VAL 44 HB VAL 44 8.226 -10.054 -4.922 366 HG11 VAL 44 1HG1 VAL 44 8.645 -7.542 -3.295 367 HG12 VAL 44 2HG1 VAL 44 7.863 -7.629 -4.874 368 HG13 VAL 44 3HG1 VAL 44 9.572 -8.032 -4.711 369 HG21 VAL 44 3HG2 VAL 44 9.022 -11.272 -2.964 370 HG22 VAL 44 1HG2 VAL 44 9.294 -9.753 -2.108 371 HG23 VAL 44 2HG2 VAL 44 10.254 -10.146 -3.536 372 H GLU 45 H GLU 45 5.762 -10.699 -1.286 373 HA GLU 45 HA GLU 45 5.925 -8.313 0.361 374 HB2 GLU 45 2HB GLU 45 4.765 -10.138 2.007 375 HB3 GLU 45 3HB GLU 45 3.888 -9.142 0.859 376 HG2 GLU 45 2HG GLU 45 3.076 -11.349 0.639 377 HG3 GLU 45 3HG GLU 45 4.061 -11.026 -0.784 378 H ASN 46 H ASN 46 7.521 -11.409 0.174 379 HA ASN 46 HA ASN 46 9.720 -10.522 1.705 380 HB2 ASN 46 2HB ASN 46 9.500 -12.110 3.646 381 HB3 ASN 46 3HB ASN 46 8.354 -10.775 3.660 382 HD21 ASN 46 1HD2 ASN 46 6.195 -11.189 3.344 383 HD22 ASN 46 2HD2 ASN 46 5.525 -12.778 3.370 384 H THR 47 H THR 47 7.945 -13.186 0.288 385 HA THR 47 HA THR 47 9.891 -15.203 0.484 386 HB THR 47 HB THR 47 7.562 -15.642 -0.211 387 HG1 THR 47 HG1 THR 47 8.803 -17.337 -0.743 388 HG21 THR 47 3HG2 THR 47 7.227 -13.748 -1.730 389 HG22 THR 47 1HG2 THR 47 6.899 -15.271 -2.557 390 HG23 THR 47 2HG2 THR 47 8.416 -14.420 -2.849 391 H ALA 48 H ALA 48 11.307 -16.101 -1.134 392 HA ALA 48 HA ALA 48 12.555 -14.101 -2.872 393 HB1 ALA 48 3HB ALA 48 14.354 -15.730 -3.132 394 HB2 ALA 48 1HB ALA 48 13.422 -16.928 -2.236 395 HB3 ALA 48 2HB ALA 48 13.994 -15.469 -1.427 396 H ASN 49 H ASN 49 10.283 -16.593 -3.060 397 HA ASN 49 HA ASN 49 9.233 -17.730 -4.715 398 HB2 ASN 49 2HB ASN 49 8.789 -15.322 -5.321 399 HB3 ASN 49 3HB ASN 49 10.104 -15.437 -6.487 400 HD21 ASN 49 1HD2 ASN 49 6.875 -16.500 -5.703 401 HD22 ASN 49 2HD2 ASN 49 6.491 -17.100 -7.274 402 HA PRO 50 HA PRO 50 13.187 -19.304 -6.747 403 HB2 PRO 50 2HB PRO 50 13.308 -21.513 -4.877 404 HB3 PRO 50 3HB PRO 50 14.488 -20.227 -5.133 405 HG2 PRO 50 2HG PRO 50 12.998 -20.496 -2.845 406 HG3 PRO 50 3HG PRO 50 13.661 -18.955 -3.417 407 HD2 PRO 50 2HD PRO 50 10.876 -20.044 -3.702 408 HD3 PRO 50 3HD PRO 50 11.408 -18.393 -3.307 409 H HIS 51 H HIS 51 10.302 -20.874 -5.506 410 HA HIS 51 HA HIS 51 10.226 -22.609 -7.889 411 HB2 HIS 51 2HB HIS 51 9.406 -23.423 -5.086 412 HB3 HIS 51 3HB HIS 51 9.251 -24.418 -6.532 413 HD1 HIS 51 HD1 HIS 51 11.457 -23.817 -3.761 414 HD2 HIS 51 HD2 HIS 51 11.948 -24.947 -7.734 415 HE1 HIS 51 HE1 HIS 51 13.756 -24.815 -3.900 416 HE2 HIS 51 HE2 HIS 51 14.099 -25.308 -6.344 417 H PHE 52 H PHE 52 8.308 -22.600 -8.972 418 HA PHE 52 HA PHE 52 6.399 -20.591 -8.208 419 HB2 PHE 52 2HB PHE 52 6.425 -22.482 -10.573 420 HB3 PHE 52 3HB PHE 52 5.319 -21.126 -10.372 421 HD1 PHE 52 HD1 PHE 52 6.089 -18.831 -10.626 422 HD2 PHE 52 HD2 PHE 52 8.774 -22.105 -11.118 423 HE1 PHE 52 HE1 PHE 52 7.732 -17.328 -11.680 424 HE2 PHE 52 HE2 PHE 52 10.415 -20.606 -12.167 425 HZ PHE 52 HZ PHE 52 9.897 -18.215 -12.450 426 H VAL 53 H VAL 53 5.849 -21.762 -6.187 427 HA VAL 53 HA VAL 53 3.487 -23.482 -6.653 428 HB VAL 53 HB VAL 53 5.313 -24.788 -5.645 429 HG11 VAL 53 1HG1 VAL 53 6.133 -24.291 -3.396 430 HG12 VAL 53 2HG1 VAL 53 5.169 -22.814 -3.364 431 HG13 VAL 53 3HG1 VAL 53 6.495 -22.976 -4.517 432 HG21 VAL 53 3HG2 VAL 53 3.050 -24.255 -3.713 433 HG22 VAL 53 1HG2 VAL 53 4.088 -25.684 -3.719 434 HG23 VAL 53 2HG2 VAL 53 3.009 -25.370 -5.081 435 H ARG 54 H ARG 54 4.836 -20.708 -5.156 436 HA ARG 54 HA ARG 54 2.848 -20.354 -3.107 437 HB2 ARG 54 2HB ARG 54 5.230 -19.596 -2.956 438 HB3 ARG 54 3HB ARG 54 4.882 -18.388 -4.181 439 HG2 ARG 54 2HG ARG 54 3.312 -17.282 -2.687 440 HG3 ARG 54 3HG ARG 54 3.570 -18.532 -1.463 441 HD2 ARG 54 2HD ARG 54 6.001 -17.924 -1.477 442 HD3 ARG 54 3HD ARG 54 5.603 -16.573 -2.532 443 HE ARG 54 HE ARG 54 4.440 -15.552 -0.729 444 HH11 ARG 54 1HH1 ARG 54 6.017 -18.472 0.181 445 HH12 ARG 54 2HH1 ARG 54 6.202 -17.994 1.826 446 HH21 ARG 54 1HH2 ARG 54 4.704 -14.939 1.405 447 HH22 ARG 54 2HH2 ARG 54 5.470 -16.028 2.511 448 H ARG 55 H ARG 55 0.889 -19.457 -3.374 449 HA ARG 55 HA ARG 55 0.132 -18.249 -5.883 450 HB2 ARG 55 2HB ARG 55 -1.422 -19.722 -4.676 451 HB3 ARG 55 3HB ARG 55 -1.451 -18.598 -3.324 452 HG2 ARG 55 2HG ARG 55 -2.526 -16.913 -4.684 453 HG3 ARG 55 3HG ARG 55 -2.390 -17.933 -6.117 454 HD2 ARG 55 2HD ARG 55 -3.995 -18.583 -3.638 455 HD3 ARG 55 3HD ARG 55 -4.655 -17.990 -5.163 456 HE ARG 55 HE ARG 55 -3.115 -20.399 -5.439 457 HH11 ARG 55 1HH1 ARG 55 -6.238 -19.145 -4.690 458 HH12 ARG 55 2HH1 ARG 55 -7.052 -20.587 -5.199 459 HH21 ARG 55 1HH2 ARG 55 -4.169 -22.244 -6.066 460 HH22 ARG 55 2HH2 ARG 55 -5.895 -22.312 -5.977 461 H ASN 56 H ASN 56 1.440 -16.385 -5.967 462 HA ASN 56 HA ASN 56 1.404 -14.352 -3.978 463 HB2 ASN 56 2HB ASN 56 2.058 -14.074 -6.922 464 HB3 ASN 56 3HB ASN 56 2.518 -12.964 -5.637 465 HD21 ASN 56 1HD2 ASN 56 4.178 -14.406 -7.523 466 HD22 ASN 56 2HD2 ASN 56 5.275 -15.340 -6.576 467 H ILE 57 H ILE 57 -0.513 -13.442 -3.417 468 HA ILE 57 HA ILE 57 -2.091 -12.123 -5.508 469 HB ILE 57 HB ILE 57 -3.190 -14.278 -5.192 470 HG12 ILE 57 2HG1 ILE 57 -4.760 -12.005 -3.935 471 HG13 ILE 57 3HG1 ILE 57 -4.597 -12.312 -5.660 472 HG21 ILE 57 1HG2 ILE 57 -4.189 -14.910 -3.034 473 HG22 ILE 57 2HG2 ILE 57 -3.422 -13.512 -2.280 474 HG23 ILE 57 3HG2 ILE 57 -2.429 -14.807 -2.949 475 HD11 ILE 57 3HD1 ILE 57 -5.761 -14.456 -5.362 476 HD12 ILE 57 1HD1 ILE 57 -6.740 -13.072 -4.874 477 HD13 ILE 57 2HD1 ILE 57 -5.970 -14.082 -3.650 478 H ILE 58 H ILE 58 -3.184 -10.285 -4.850 479 HA ILE 58 HA ILE 58 -2.211 -8.869 -2.607 480 HB ILE 58 HB ILE 58 -4.694 -8.303 -4.252 481 HG12 ILE 58 2HG1 ILE 58 -2.679 -8.473 -5.660 482 HG13 ILE 58 3HG1 ILE 58 -3.254 -6.813 -5.585 483 HG21 ILE 58 1HG2 ILE 58 -3.046 -6.465 -2.505 484 HG22 ILE 58 2HG2 ILE 58 -4.671 -7.060 -2.151 485 HG23 ILE 58 3HG2 ILE 58 -4.408 -5.977 -3.521 486 HD11 ILE 58 3HD1 ILE 58 -0.844 -6.902 -5.455 487 HD12 ILE 58 1HD1 ILE 58 -0.936 -7.960 -4.048 488 HD13 ILE 58 2HD1 ILE 58 -1.516 -6.298 -3.941 489 H THR 59 H THR 59 -2.685 -9.385 -0.529 490 HA THR 59 HA THR 59 -5.494 -9.565 0.262 491 HB THR 59 HB THR 59 -4.931 -11.911 -0.063 492 HG1 THR 59 HG1 THR 59 -5.170 -12.534 2.297 493 HG21 THR 59 3HG2 THR 59 -2.508 -11.809 0.190 494 HG22 THR 59 1HG2 THR 59 -3.188 -13.002 1.295 495 HG23 THR 59 2HG2 THR 59 -2.682 -11.426 1.903 496 H ARG 60 H ARG 60 -5.676 -9.654 2.733 497 HA ARG 60 HA ARG 60 -4.400 -7.356 3.748 498 HB2 ARG 60 2HB ARG 60 -6.611 -8.031 4.510 499 HB3 ARG 60 3HB ARG 60 -5.949 -9.503 5.211 500 HG2 ARG 60 2HG ARG 60 -4.687 -8.201 6.830 501 HG3 ARG 60 3HG ARG 60 -5.256 -6.701 6.093 502 HD2 ARG 60 2HD ARG 60 -6.983 -8.790 7.427 503 HD3 ARG 60 3HD ARG 60 -6.517 -7.235 8.119 504 HE ARG 60 HE ARG 60 -7.749 -6.693 5.704 505 HH11 ARG 60 1HH1 ARG 60 -8.604 -8.103 8.722 506 HH12 ARG 60 2HH1 ARG 60 -10.265 -7.643 8.591 507 HH21 ARG 60 1HH2 ARG 60 -9.860 -6.088 5.551 508 HH22 ARG 60 2HH2 ARG 60 -10.968 -6.492 6.810 509 H GLY 61 H GLY 61 -2.535 -7.064 4.795 510 HA2 GLY 61 2HA GLY 61 -0.835 -7.652 6.358 511 HA3 GLY 61 3HA GLY 61 -1.212 -9.347 6.105 512 H ALA 62 H ALA 62 -1.237 -8.750 3.097 513 HA ALA 62 HA ALA 62 1.500 -9.458 2.623 514 HB1 ALA 62 3HB ALA 62 -0.669 -8.754 0.641 515 HB2 ALA 62 1HB ALA 62 -0.330 -10.366 1.268 516 HB3 ALA 62 2HB ALA 62 0.865 -9.541 0.269 517 H VAL 63 H VAL 63 3.176 -8.184 2.119 518 HA VAL 63 HA VAL 63 2.753 -5.297 1.926 519 HB VAL 63 HB VAL 63 5.332 -6.863 2.230 520 HG11 VAL 63 1HG1 VAL 63 6.331 -4.688 2.826 521 HG12 VAL 63 2HG1 VAL 63 4.801 -3.893 2.447 522 HG13 VAL 63 3HG1 VAL 63 5.715 -4.700 1.173 523 HG21 VAL 63 3HG2 VAL 63 3.881 -7.109 4.177 524 HG22 VAL 63 1HG2 VAL 63 3.706 -5.357 4.287 525 HG23 VAL 63 2HG2 VAL 63 5.278 -6.108 4.566 526 H VAL 64 H VAL 64 2.564 -4.431 -0.056 527 HA VAL 64 HA VAL 64 3.969 -5.691 -2.313 528 HB VAL 64 HB VAL 64 2.464 -4.421 -3.786 529 HG11 VAL 64 1HG1 VAL 64 1.834 -6.669 -3.068 530 HG12 VAL 64 2HG1 VAL 64 0.408 -5.653 -3.284 531 HG13 VAL 64 3HG1 VAL 64 1.004 -5.999 -1.661 532 HG21 VAL 64 3HG2 VAL 64 1.160 -3.453 -1.234 533 HG22 VAL 64 1HG2 VAL 64 0.539 -3.198 -2.866 534 HG23 VAL 64 2HG2 VAL 64 2.067 -2.464 -2.380 535 H GLU 65 H GLU 65 5.651 -4.714 -3.263 536 HA GLU 65 HA GLU 65 6.657 -2.221 -2.236 537 HB2 GLU 65 2HB GLU 65 8.172 -4.056 -2.879 538 HB3 GLU 65 3HB GLU 65 7.634 -3.927 -4.547 539 HG2 GLU 65 2HG GLU 65 9.746 -2.851 -4.384 540 HG3 GLU 65 3HG GLU 65 8.528 -1.593 -4.584 541 H THR 66 H THR 66 5.759 -0.342 -2.837 542 HA THR 66 HA THR 66 4.831 0.011 -5.626 543 HB THR 66 HB THR 66 3.423 1.816 -4.860 544 HG1 THR 66 HG1 THR 66 4.257 1.395 -2.182 545 HG21 THR 66 3HG2 THR 66 2.514 -0.451 -4.563 546 HG22 THR 66 1HG2 THR 66 1.915 0.650 -3.322 547 HG23 THR 66 2HG2 THR 66 3.189 -0.507 -2.934 548 H ASN 67 H ASN 67 4.998 2.370 -6.375 549 HA ASN 67 HA ASN 67 7.661 3.180 -6.559 550 HB2 ASN 67 2HB ASN 67 6.714 5.375 -7.378 551 HB3 ASN 67 3HB ASN 67 6.117 3.946 -8.214 552 HD21 ASN 67 1HD2 ASN 67 4.958 6.647 -7.826 553 HD22 ASN 67 2HD2 ASN 67 3.385 6.354 -7.181 554 H LEU 68 H LEU 68 5.195 4.095 -4.204 555 HA LEU 68 HA LEU 68 6.836 6.136 -2.974 556 HB2 LEU 68 2HB LEU 68 4.256 4.844 -2.075 557 HB3 LEU 68 3HB LEU 68 5.038 6.173 -1.240 558 HG LEU 68 HG LEU 68 3.843 6.245 -4.018 559 HD11 LEU 68 1HD1 LEU 68 2.275 7.838 -3.042 560 HD12 LEU 68 2HD1 LEU 68 3.045 7.650 -1.467 561 HD13 LEU 68 3HD1 LEU 68 2.201 6.287 -2.205 562 HD21 LEU 68 3HD2 LEU 68 4.414 8.627 -4.026 563 HD22 LEU 68 1HD2 LEU 68 5.859 7.619 -3.936 564 HD23 LEU 68 2HD2 LEU 68 5.261 8.433 -2.491 565 H GLY 69 H GLY 69 6.252 2.703 -2.472 566 HA2 GLY 69 2HA GLY 69 8.416 1.934 -1.155 567 HA3 GLY 69 3HA GLY 69 7.587 2.775 0.142 568 H ASN 70 H ASN 70 7.802 0.599 1.137 569 HA ASN 70 HA ASN 70 6.312 -1.621 0.140 570 HB2 ASN 70 2HB ASN 70 7.325 -1.100 2.948 571 HB3 ASN 70 3HB ASN 70 6.777 -2.649 2.324 572 HD21 ASN 70 1HD2 ASN 70 8.067 -2.200 -0.285 573 HD22 ASN 70 2HD2 ASN 70 9.753 -2.433 -0.010 574 H VAL 71 H VAL 71 4.133 -1.293 -0.123 575 HA VAL 71 HA VAL 71 2.600 -0.118 2.091 576 HB VAL 71 HB VAL 71 1.729 -0.753 -0.739 577 HG11 VAL 71 1HG1 VAL 71 -0.138 -0.878 0.848 578 HG12 VAL 71 2HG1 VAL 71 -0.292 0.522 -0.212 579 HG13 VAL 71 3HG1 VAL 71 0.259 0.734 1.449 580 HG21 VAL 71 3HG2 VAL 71 3.360 1.073 -0.624 581 HG22 VAL 71 1HG2 VAL 71 2.364 1.900 0.573 582 HG23 VAL 71 2HG2 VAL 71 1.764 1.675 -1.070 583 H ARG 72 H ARG 72 1.717 -1.453 3.524 584 HA ARG 72 HA ARG 72 1.338 -4.274 2.905 585 HB2 ARG 72 2HB ARG 72 2.307 -3.274 5.091 586 HB3 ARG 72 3HB ARG 72 0.635 -2.941 5.516 587 HG2 ARG 72 2HG ARG 72 0.096 -5.296 5.434 588 HG3 ARG 72 3HG ARG 72 1.721 -5.679 4.853 589 HD2 ARG 72 2HD ARG 72 2.590 -4.618 6.974 590 HD3 ARG 72 3HD ARG 72 0.925 -4.594 7.550 591 HE ARG 72 HE ARG 72 1.910 -7.182 6.690 592 HH11 ARG 72 1HH1 ARG 72 1.462 -5.011 9.335 593 HH12 ARG 72 2HH1 ARG 72 1.554 -6.272 10.517 594 HH21 ARG 72 1HH2 ARG 72 2.081 -8.774 8.249 595 HH22 ARG 72 2HH2 ARG 72 1.897 -8.353 9.916 596 H VAL 73 H VAL 73 -0.522 -5.047 2.155 597 HA VAL 73 HA VAL 73 -2.751 -3.354 1.668 598 HB VAL 73 HB VAL 73 -2.580 -6.362 1.378 599 HG11 VAL 73 1HG1 VAL 73 -4.481 -4.372 0.122 600 HG12 VAL 73 2HG1 VAL 73 -4.888 -5.578 1.341 601 HG13 VAL 73 3HG1 VAL 73 -4.391 -6.090 -0.271 602 HG21 VAL 73 3HG2 VAL 73 -0.813 -5.222 0.118 603 HG22 VAL 73 1HG2 VAL 73 -2.017 -4.185 -0.646 604 HG23 VAL 73 2HG2 VAL 73 -2.015 -5.919 -0.968 605 H THR 74 H THR 74 -4.764 -3.234 2.576 606 HA THR 74 HA THR 74 -5.207 -4.743 5.082 607 HB THR 74 HB THR 74 -6.495 -2.853 5.935 608 HG1 THR 74 HG1 THR 74 -6.916 -1.094 4.741 609 HG21 THR 74 3HG2 THR 74 -4.095 -2.875 6.411 610 HG22 THR 74 1HG2 THR 74 -4.674 -1.221 6.219 611 HG23 THR 74 2HG2 THR 74 -3.775 -1.998 4.913 612 H SER 75 H SER 75 -6.861 -3.304 2.262 613 HA SER 75 HA SER 75 -9.398 -4.520 3.027 614 HB2 SER 75 2HB SER 75 -10.360 -3.361 1.140 615 HB3 SER 75 3HB SER 75 -9.279 -2.240 1.969 616 HG SER 75 HG SER 75 -9.169 -3.204 -0.573 617 H ARG 76 H ARG 76 -10.657 -5.455 0.966 618 HA ARG 76 HA ARG 76 -9.045 -7.711 -0.020 619 HB2 ARG 76 2HB ARG 76 -12.054 -7.364 -0.121 620 HB3 ARG 76 3HB ARG 76 -11.155 -8.842 -0.443 621 HG2 ARG 76 2HG ARG 76 -11.356 -7.430 2.217 622 HG3 ARG 76 3HG ARG 76 -12.213 -8.898 1.751 623 HD2 ARG 76 2HD ARG 76 -9.203 -8.650 1.861 624 HD3 ARG 76 3HD ARG 76 -10.196 -9.286 3.172 625 HE ARG 76 HE ARG 76 -10.891 -10.791 1.005 626 HH11 ARG 76 1HH1 ARG 76 -7.943 -10.076 2.620 627 HH12 ARG 76 2HH1 ARG 76 -7.213 -11.589 2.213 628 HH21 ARG 76 1HH2 ARG 76 -9.972 -12.756 0.526 629 HH22 ARG 76 2HH2 ARG 76 -8.362 -13.101 1.066 630 HA PRO 77 HA PRO 77 -8.949 -5.798 -4.063 631 HB2 PRO 77 2HB PRO 77 -8.048 -7.915 -5.503 632 HB3 PRO 77 3HB PRO 77 -7.010 -6.996 -4.405 633 HG2 PRO 77 2HG PRO 77 -8.417 -9.605 -3.934 634 HG3 PRO 77 3HG PRO 77 -6.748 -9.149 -3.541 635 HD2 PRO 77 2HD PRO 77 -8.722 -9.143 -1.685 636 HD3 PRO 77 3HD PRO 77 -7.377 -7.982 -1.644 637 H GLY 78 H GLY 78 -10.957 -5.354 -4.848 638 HA2 GLY 78 2HA GLY 78 -12.177 -6.605 -6.882 639 HA3 GLY 78 3HA GLY 78 -12.808 -7.513 -5.517 640 H GLN 79 H GLN 79 -12.911 -5.203 -3.737 641 HA GLN 79 HA GLN 79 -15.522 -4.335 -4.217 642 HB2 GLN 79 2HB GLN 79 -13.375 -3.028 -2.526 643 HB3 GLN 79 3HB GLN 79 -15.087 -2.627 -2.458 644 HG2 GLN 79 2HG GLN 79 -13.890 -5.319 -1.812 645 HG3 GLN 79 3HG GLN 79 -14.412 -4.115 -0.635 646 HE21 GLN 79 1HE2 GLN 79 -15.335 -6.857 -1.045 647 HE22 GLN 79 2HE2 GLN 79 -17.036 -6.749 -1.326 648 H ASP 80 H ASP 80 -15.925 -3.434 -6.187 649 HA ASP 80 HA ASP 80 -16.077 -1.871 -7.834 650 HB2 ASP 80 2HB ASP 80 -15.128 -0.020 -5.634 651 HB3 ASP 80 3HB ASP 80 -15.885 0.492 -7.140 652 H GLY 81 H GLY 81 -13.343 -3.150 -7.197 653 HA2 GLY 81 2HA GLY 81 -11.345 -3.217 -8.348 654 HA3 GLY 81 3HA GLY 81 -11.914 -1.877 -9.327 655 H VAL 82 H VAL 82 -11.812 -1.511 -5.854 656 HA VAL 82 HA VAL 82 -9.319 0.060 -6.106 657 HB VAL 82 HB VAL 82 -11.236 1.549 -5.772 658 HG11 VAL 82 1HG1 VAL 82 -12.529 1.519 -3.684 659 HG12 VAL 82 2HG1 VAL 82 -11.698 0.039 -3.197 660 HG13 VAL 82 3HG1 VAL 82 -12.747 0.037 -4.615 661 HG21 VAL 82 3HG2 VAL 82 -9.093 2.220 -4.833 662 HG22 VAL 82 1HG2 VAL 82 -9.456 1.366 -3.334 663 HG23 VAL 82 2HG2 VAL 82 -10.410 2.774 -3.801 664 H ILE 83 H ILE 83 -7.756 -0.175 -4.556 665 HA ILE 83 HA ILE 83 -8.236 -2.176 -2.426 666 HB ILE 83 HB ILE 83 -5.646 -1.742 -3.950 667 HG12 ILE 83 2HG1 ILE 83 -7.580 -4.078 -4.082 668 HG13 ILE 83 3HG1 ILE 83 -7.436 -2.827 -5.311 669 HG21 ILE 83 1HG2 ILE 83 -5.296 -2.462 -1.626 670 HG22 ILE 83 2HG2 ILE 83 -4.837 -3.725 -2.769 671 HG23 ILE 83 3HG2 ILE 83 -6.364 -3.841 -1.893 672 HD11 ILE 83 3HD1 ILE 83 -5.116 -3.521 -5.720 673 HD12 ILE 83 1HD1 ILE 83 -6.267 -4.830 -5.988 674 HD13 ILE 83 2HD1 ILE 83 -5.299 -4.795 -4.516 675 H ASN 84 H ASN 84 -7.290 -1.790 -0.396 676 HA ASN 84 HA ASN 84 -6.122 0.901 0.000 677 HB2 ASN 84 2HB ASN 84 -7.841 -0.640 1.966 678 HB3 ASN 84 3HB ASN 84 -7.209 0.990 2.177 679 HD21 ASN 84 1HD2 ASN 84 -7.787 1.683 -0.646 680 HD22 ASN 84 2HD2 ASN 84 -9.491 1.941 -0.694 681 H GLY 85 H GLY 85 -4.415 1.115 1.491 682 HA2 GLY 85 2HA GLY 85 -3.535 -1.102 3.115 683 HA3 GLY 85 3HA GLY 85 -2.497 -0.823 1.726 684 H VAL 86 H VAL 86 -1.198 -0.595 4.003 685 HA VAL 86 HA VAL 86 -1.072 2.307 4.560 686 HB VAL 86 HB VAL 86 0.181 1.473 6.724 687 HG11 VAL 86 1HG1 VAL 86 -1.940 1.555 7.950 688 HG12 VAL 86 2HG1 VAL 86 -2.825 1.375 6.433 689 HG13 VAL 86 3HG1 VAL 86 -1.845 2.817 6.718 690 HG21 VAL 86 3HG2 VAL 86 -0.788 -0.609 7.618 691 HG22 VAL 86 1HG2 VAL 86 0.175 -0.901 6.168 692 HG23 VAL 86 2HG2 VAL 86 -1.587 -0.893 6.072 693 H LEU 87 H LEU 87 0.880 3.322 4.777 694 HA LEU 87 HA LEU 87 2.990 2.237 3.108 695 HB2 LEU 87 2HB LEU 87 2.228 4.497 2.761 696 HB3 LEU 87 3HB LEU 87 2.568 4.913 4.430 697 HG LEU 87 HG LEU 87 5.000 4.617 3.990 698 HD11 LEU 87 1HD1 LEU 87 4.844 2.968 2.180 699 HD12 LEU 87 2HD1 LEU 87 5.805 4.362 1.691 700 HD13 LEU 87 3HD1 LEU 87 4.146 4.191 1.118 701 HD21 LEU 87 3HD2 LEU 87 3.979 6.835 3.775 702 HD22 LEU 87 1HD2 LEU 87 3.623 6.513 2.076 703 HD23 LEU 87 2HD2 LEU 87 5.297 6.625 2.623 704 H ILE 88 H ILE 88 4.517 0.983 4.014 705 HA ILE 88 HA ILE 88 5.817 1.914 6.489 706 HB ILE 88 HB ILE 88 6.065 -0.358 7.328 707 HG12 ILE 88 2HG1 ILE 88 4.406 -1.186 4.929 708 HG13 ILE 88 3HG1 ILE 88 6.097 -1.573 5.207 709 HG21 ILE 88 1HG2 ILE 88 4.124 0.893 8.080 710 HG22 ILE 88 2HG2 ILE 88 3.730 -0.819 7.950 711 HG23 ILE 88 3HG2 ILE 88 3.183 0.307 6.707 712 HD11 ILE 88 3HD1 ILE 88 4.692 -3.478 5.695 713 HD12 ILE 88 1HD1 ILE 88 3.767 -2.527 6.859 714 HD13 ILE 88 2HD1 ILE 88 5.464 -2.893 7.169 715 H ARG 89 H ARG 89 7.861 0.254 6.779 716 HA ARG 89 HA ARG 89 9.183 -0.110 4.173 717 HB2 ARG 89 2HB ARG 89 10.367 1.332 6.554 718 HB3 ARG 89 3HB ARG 89 11.322 0.755 5.199 719 HG2 ARG 89 2HG ARG 89 9.077 2.758 4.984 720 HG3 ARG 89 3HG ARG 89 10.786 3.171 5.101 721 HD2 ARG 89 2HD ARG 89 11.189 1.867 3.015 722 HD3 ARG 89 3HD ARG 89 9.448 1.612 2.878 723 HE ARG 89 HE ARG 89 9.937 4.359 3.125 724 HH11 ARG 89 1HH1 ARG 89 10.457 1.836 0.822 725 HH12 ARG 89 2HH1 ARG 89 10.393 2.921 -0.517 726 HH21 ARG 89 1HH2 ARG 89 9.869 5.710 1.412 727 HH22 ARG 89 2HH2 ARG 89 10.054 5.096 -0.195 728 H GLU 90 H GLU 90 8.893 -2.354 4.389 729 HA GLU 90 HA GLU 90 10.012 -3.760 6.658 730 HB2 GLU 90 2HB GLU 90 8.888 -4.738 4.020 731 HB3 GLU 90 3HB GLU 90 9.517 -5.811 5.264 732 HG2 GLU 90 2HG GLU 90 7.198 -3.910 5.588 733 HG3 GLU 90 3HG GLU 90 7.078 -5.651 5.336 734 H LEU 91 H LEU 91 11.045 -2.754 3.503 735 HA LEU 91 HA LEU 91 13.454 -4.389 3.602 736 HB2 LEU 91 2HB LEU 91 12.485 -2.391 1.551 737 HB3 LEU 91 3HB LEU 91 13.958 -3.334 1.405 738 HG LEU 91 HG LEU 91 11.146 -4.453 1.501 739 HD11 LEU 91 1HD1 LEU 91 11.543 -5.072 -0.827 740 HD12 LEU 91 2HD1 LEU 91 13.122 -4.284 -0.775 741 HD13 LEU 91 3HD1 LEU 91 11.650 -3.325 -0.603 742 HD21 LEU 91 3HD2 LEU 91 13.802 -5.859 1.175 743 HD22 LEU 91 1HD2 LEU 91 12.216 -6.608 0.977 744 HD23 LEU 91 2HD2 LEU 91 12.706 -5.987 2.552 745 H GLU 92 H GLU 92 15.446 -3.684 4.024 746 HA GLU 92 HA GLU 92 15.998 -1.512 5.636 747 HB2 GLU 92 2HB GLU 92 17.481 -3.384 5.500 748 HB3 GLU 92 3HB GLU 92 17.740 -3.136 3.783 749 HG2 GLU 92 2HG GLU 92 18.926 -1.038 4.290 750 HG3 GLU 92 3HG GLU 92 18.720 -1.366 6.013 751 H HIS 93 H HIS 93 16.875 0.559 5.316 752 HA HIS 93 HA HIS 93 15.793 1.919 3.068 753 HB2 HIS 93 2HB HIS 93 17.659 2.921 5.228 754 HB3 HIS 93 3HB HIS 93 16.787 3.945 4.091 755 HD1 HIS 93 HD1 HIS 93 16.467 2.295 7.333 756 HD2 HIS 93 HD2 HIS 93 13.890 3.810 4.442 757 HE1 HIS 93 HE1 HIS 93 14.241 2.527 8.468 758 HE2 HIS 93 HE2 HIS 93 12.736 3.566 6.746 759 H HIS 94 H HIS 94 18.933 0.592 3.642 760 HA HIS 94 HA HIS 94 19.886 1.774 1.101 761 HB2 HIS 94 2HB HIS 94 22.198 1.587 2.008 762 HB3 HIS 94 3HB HIS 94 21.195 2.705 2.922 763 HD1 HIS 94 HD1 HIS 94 20.723 2.133 5.364 764 HD2 HIS 94 HD2 HIS 94 22.925 -0.777 3.379 765 HE1 HIS 94 HE1 HIS 94 21.553 0.585 7.153 766 HE2 HIS 94 HE2 HIS 94 22.699 -1.274 5.908 767 H HIS 95 H HIS 95 18.376 -0.575 1.209 768 HA HIS 95 HA HIS 95 20.169 -2.856 1.379 769 HB2 HIS 95 2HB HIS 95 17.809 -2.820 2.302 770 HB3 HIS 95 3HB HIS 95 17.242 -2.887 0.637 771 HD1 HIS 95 HD1 HIS 95 19.474 -4.891 2.969 772 HD2 HIS 95 HD2 HIS 95 16.994 -5.409 -0.325 773 HE1 HIS 95 HE1 HIS 95 19.369 -7.375 2.584 774 HE2 HIS 95 HE2 HIS 95 17.957 -7.649 0.517 775 H HIS 96 H HIS 96 21.209 -3.701 -0.290 776 HA HIS 96 HA HIS 96 19.975 -3.890 -2.901 777 HB2 HIS 96 2HB HIS 96 22.001 -2.879 -4.043 778 HB3 HIS 96 3HB HIS 96 20.935 -1.745 -3.226 779 HD1 HIS 96 HD1 HIS 96 21.845 -0.580 -1.093 780 HD2 HIS 96 HD2 HIS 96 24.589 -3.051 -2.999 781 HE1 HIS 96 HE1 HIS 96 24.070 -0.011 -0.087 782 HE2 HIS 96 HE2 HIS 96 25.734 -1.350 -1.417 783 H HIS 97 H HIS 97 21.151 -5.281 -4.377 784 HA HIS 97 HA HIS 97 22.257 -7.179 -4.938 785 HB2 HIS 97 2HB HIS 97 23.888 -6.624 -2.451 786 HB3 HIS 97 3HB HIS 97 24.209 -7.959 -3.556 787 HD1 HIS 97 HD1 HIS 97 25.635 -4.916 -2.854 788 HD2 HIS 97 HD2 HIS 97 24.268 -6.590 -6.404 789 HE1 HIS 97 HE1 HIS 97 26.828 -3.685 -4.686 790 HE2 HIS 97 HE2 HIS 97 26.120 -4.830 -6.801 791 H HIS 98 H HIS 98 19.846 -7.136 -3.224 792 HA HIS 98 HA HIS 98 19.575 -9.937 -3.030 793 HB2 HIS 98 2HB HIS 98 20.948 -9.448 -0.932 794 HB3 HIS 98 3HB HIS 98 19.517 -8.642 -0.298 795 HD1 HIS 98 HD1 HIS 98 18.740 -10.251 1.482 796 HD2 HIS 98 HD2 HIS 98 19.617 -12.156 -2.105 797 HE1 HIS 98 HE1 HIS 98 18.042 -12.640 1.802 798 HE2 HIS 98 HE2 HIS 98 18.782 -13.806 -0.302 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -18.177 20.077 -44.338 2 H2 GLY 1 2H GLY 1 -18.758 21.044 -45.598 3 H3 GLY 1 3H GLY 1 -18.956 19.365 -45.659 4 HA2 GLY 1 2HA GLY 1 -21.032 20.426 -45.064 5 HA3 GLY 1 3HA GLY 1 -20.431 19.412 -43.764 6 H ASP 2 H ASP 2 -22.311 21.440 -43.345 7 HA ASP 2 HA ASP 2 -20.853 23.668 -42.124 8 HB2 ASP 2 2HB ASP 2 -23.819 23.192 -42.525 9 HB3 ASP 2 3HB ASP 2 -23.126 24.638 -41.796 10 H ARG 3 H ARG 3 -22.813 24.246 -40.086 11 HA ARG 3 HA ARG 3 -21.807 22.429 -38.042 12 HB2 ARG 3 2HB ARG 3 -23.345 25.029 -37.890 13 HB3 ARG 3 3HB ARG 3 -22.977 24.061 -36.473 14 HG2 ARG 3 2HG ARG 3 -21.385 25.853 -36.658 15 HG3 ARG 3 3HG ARG 3 -20.567 24.320 -36.949 16 HD2 ARG 3 2HD ARG 3 -19.840 26.071 -38.511 17 HD3 ARG 3 3HD ARG 3 -20.603 24.720 -39.343 18 HE ARG 3 HE ARG 3 -22.529 26.714 -38.823 19 HH11 ARG 3 1HH1 ARG 3 -19.776 26.124 -40.818 20 HH12 ARG 3 2HH1 ARG 3 -20.339 27.156 -42.084 21 HH21 ARG 3 1HH2 ARG 3 -23.238 28.031 -40.476 22 HH22 ARG 3 2HH2 ARG 3 -22.263 28.217 -41.896 23 H ARG 4 H ARG 4 -23.053 20.547 -38.656 24 HA ARG 4 HA ARG 4 -25.845 20.664 -37.680 25 HB2 ARG 4 2HB ARG 4 -24.704 19.115 -40.001 26 HB3 ARG 4 3HB ARG 4 -26.187 18.607 -39.207 27 HG2 ARG 4 2HG ARG 4 -26.884 19.846 -41.061 28 HG3 ARG 4 3HG ARG 4 -27.078 20.940 -39.692 29 HD2 ARG 4 2HD ARG 4 -24.971 22.044 -40.267 30 HD3 ARG 4 3HD ARG 4 -24.743 20.930 -41.614 31 HE ARG 4 HE ARG 4 -26.594 23.164 -41.483 32 HH11 ARG 4 1HH1 ARG 4 -25.524 20.373 -43.194 33 HH12 ARG 4 2HH1 ARG 4 -26.345 20.820 -44.648 34 HH21 ARG 4 1HH2 ARG 4 -27.620 23.732 -43.365 35 HH22 ARG 4 2HH2 ARG 4 -27.496 22.701 -44.749 36 H VAL 5 H VAL 5 -26.642 18.887 -36.543 37 HA VAL 5 HA VAL 5 -26.641 17.280 -34.958 38 HB VAL 5 HB VAL 5 -25.857 15.119 -35.594 39 HG11 VAL 5 1HG1 VAL 5 -27.785 15.921 -36.800 40 HG12 VAL 5 2HG1 VAL 5 -26.793 14.931 -37.870 41 HG13 VAL 5 3HG1 VAL 5 -26.756 16.689 -38.009 42 HG21 VAL 5 3HG2 VAL 5 -23.565 15.653 -36.242 43 HG22 VAL 5 1HG2 VAL 5 -24.148 16.465 -37.695 44 HG23 VAL 5 2HG2 VAL 5 -24.369 14.725 -37.509 45 H ARG 6 H ARG 6 -24.092 19.182 -34.929 46 HA ARG 6 HA ARG 6 -22.256 17.587 -33.355 47 HB2 ARG 6 2HB ARG 6 -22.324 20.572 -33.854 48 HB3 ARG 6 3HB ARG 6 -21.015 19.705 -33.062 49 HG2 ARG 6 2HG ARG 6 -20.680 18.407 -35.159 50 HG3 ARG 6 3HG ARG 6 -21.898 19.424 -35.931 51 HD2 ARG 6 2HD ARG 6 -19.671 20.240 -36.452 52 HD3 ARG 6 3HD ARG 6 -20.530 21.410 -35.449 53 HE ARG 6 HE ARG 6 -18.650 19.515 -34.221 54 HH11 ARG 6 1HH1 ARG 6 -19.621 22.750 -34.877 55 HH12 ARG 6 2HH1 ARG 6 -18.384 23.440 -33.888 56 HH21 ARG 6 1HH2 ARG 6 -17.072 20.408 -32.942 57 HH22 ARG 6 2HH2 ARG 6 -16.960 22.127 -32.802 58 H LEU 7 H LEU 7 -25.193 18.804 -32.633 59 HA LEU 7 HA LEU 7 -24.587 19.975 -30.046 60 HB2 LEU 7 2HB LEU 7 -27.218 19.458 -31.443 61 HB3 LEU 7 3HB LEU 7 -27.069 20.237 -29.879 62 HG LEU 7 HG LEU 7 -25.701 22.036 -31.005 63 HD11 LEU 7 1HD1 LEU 7 -25.915 22.279 -33.437 64 HD12 LEU 7 2HD1 LEU 7 -26.682 20.692 -33.521 65 HD13 LEU 7 3HD1 LEU 7 -25.006 20.836 -32.991 66 HD21 LEU 7 3HD2 LEU 7 -28.544 21.639 -31.945 67 HD22 LEU 7 1HD2 LEU 7 -27.663 23.167 -31.963 68 HD23 LEU 7 2HD2 LEU 7 -28.036 22.384 -30.430 69 H ILE 8 H ILE 8 -24.700 16.866 -31.042 70 HA ILE 8 HA ILE 8 -26.100 15.846 -28.675 71 HB ILE 8 HB ILE 8 -26.738 14.762 -30.736 72 HG12 ILE 8 2HG1 ILE 8 -25.005 12.931 -29.049 73 HG13 ILE 8 3HG1 ILE 8 -26.667 13.386 -28.689 74 HG21 ILE 8 1HG2 ILE 8 -25.166 13.461 -32.093 75 HG22 ILE 8 2HG2 ILE 8 -23.832 14.015 -31.078 76 HG23 ILE 8 3HG2 ILE 8 -24.735 15.172 -32.055 77 HD11 ILE 8 3HD1 ILE 8 -27.414 12.242 -30.710 78 HD12 ILE 8 1HD1 ILE 8 -26.536 11.155 -29.635 79 HD13 ILE 8 2HD1 ILE 8 -25.747 11.796 -31.076 80 H ARG 9 H ARG 9 -24.995 15.405 -26.900 81 HA ARG 9 HA ARG 9 -22.130 14.704 -27.125 82 HB2 ARG 9 2HB ARG 9 -23.518 16.147 -24.851 83 HB3 ARG 9 3HB ARG 9 -21.815 15.709 -24.895 84 HG2 ARG 9 2HG ARG 9 -21.494 17.179 -26.838 85 HG3 ARG 9 3HG ARG 9 -23.198 17.634 -26.762 86 HD2 ARG 9 2HD ARG 9 -21.086 18.145 -24.664 87 HD3 ARG 9 3HD ARG 9 -21.864 19.343 -25.698 88 HE ARG 9 HE ARG 9 -23.777 17.914 -24.154 89 HH11 ARG 9 1HH1 ARG 9 -21.449 20.448 -23.944 90 HH12 ARG 9 2HH1 ARG 9 -22.239 21.199 -22.605 91 HH21 ARG 9 1HH2 ARG 9 -24.778 18.886 -22.456 92 HH22 ARG 9 2HH2 ARG 9 -24.097 20.317 -21.761 93 H THR 10 H THR 10 -21.304 13.097 -25.755 94 HA THR 10 HA THR 10 -23.346 11.178 -24.842 95 HB THR 10 HB THR 10 -21.798 10.316 -26.522 96 HG1 THR 10 HG1 THR 10 -21.354 8.433 -25.449 97 HG21 THR 10 3HG2 THR 10 -19.413 10.035 -26.022 98 HG22 THR 10 1HG2 THR 10 -19.628 10.892 -24.496 99 HG23 THR 10 2HG2 THR 10 -19.864 11.740 -26.023 100 H ARG 11 H ARG 11 -22.324 9.620 -23.094 101 HA ARG 11 HA ARG 11 -21.882 11.192 -20.716 102 HB2 ARG 11 2HB ARG 11 -23.297 9.124 -20.797 103 HB3 ARG 11 3HB ARG 11 -21.841 8.182 -21.062 104 HG2 ARG 11 2HG ARG 11 -22.450 8.008 -18.760 105 HG3 ARG 11 3HG ARG 11 -20.985 8.985 -18.864 106 HD2 ARG 11 2HD ARG 11 -22.639 9.904 -17.269 107 HD3 ARG 11 3HD ARG 11 -22.274 11.017 -18.589 108 HE ARG 11 HE ARG 11 -24.447 9.822 -19.542 109 HH11 ARG 11 1HH1 ARG 11 -23.835 11.024 -16.372 110 HH12 ARG 11 2HH1 ARG 11 -25.487 11.460 -16.108 111 HH21 ARG 11 1HH2 ARG 11 -26.553 10.411 -19.190 112 HH22 ARG 11 2HH2 ARG 11 -27.006 11.115 -17.676 113 H GLY 12 H GLY 12 -19.965 9.247 -22.903 114 HA2 GLY 12 2HA GLY 12 -17.635 9.282 -23.131 115 HA3 GLY 12 3HA GLY 12 -17.502 10.091 -21.577 116 H GLY 13 H GLY 13 -19.179 7.071 -22.369 117 HA2 GLY 13 2HA GLY 13 -18.155 5.766 -20.040 118 HA3 GLY 13 3HA GLY 13 -19.160 5.044 -21.283 119 H ASN 14 H ASN 14 -16.566 4.301 -19.788 120 HA ASN 14 HA ASN 14 -15.302 3.041 -22.090 121 HB2 ASN 14 2HB ASN 14 -14.040 5.137 -21.856 122 HB3 ASN 14 3HB ASN 14 -13.731 4.778 -20.160 123 HD21 ASN 14 1HD2 ASN 14 -12.959 3.951 -23.448 124 HD22 ASN 14 2HD2 ASN 14 -11.549 3.027 -23.086 125 H THR 15 H THR 15 -14.965 0.963 -21.610 126 HA THR 15 HA THR 15 -15.192 0.018 -18.886 127 HB THR 15 HB THR 15 -14.644 -1.537 -21.429 128 HG1 THR 15 HG1 THR 15 -16.673 -0.752 -21.626 129 HG21 THR 15 3HG2 THR 15 -13.927 -2.782 -19.439 130 HG22 THR 15 1HG2 THR 15 -15.374 -3.506 -20.145 131 HG23 THR 15 2HG2 THR 15 -15.505 -2.512 -18.694 132 H LYS 16 H LYS 16 -13.528 -0.193 -17.517 133 HA LYS 16 HA LYS 16 -10.789 -0.203 -18.545 134 HB2 LYS 16 2HB LYS 16 -11.763 -0.103 -15.677 135 HB3 LYS 16 3HB LYS 16 -10.108 0.149 -16.221 136 HG2 LYS 16 2HG LYS 16 -10.901 2.135 -17.511 137 HG3 LYS 16 3HG LYS 16 -12.495 1.908 -16.794 138 HD2 LYS 16 2HD LYS 16 -11.323 3.594 -15.543 139 HD3 LYS 16 3HD LYS 16 -11.462 2.145 -14.542 140 HE2 LYS 16 2HE LYS 16 -9.167 1.532 -15.092 141 HE3 LYS 16 3HE LYS 16 -9.023 2.945 -16.138 142 HZ1 LYS 16 3HZ LYS 16 -9.339 4.360 -14.208 143 HZ2 LYS 16 1HZ LYS 16 -8.019 3.331 -13.978 144 HZ3 LYS 16 2HZ LYS 16 -9.484 3.007 -13.206 145 H VAL 17 H VAL 17 -9.208 -1.678 -17.281 146 HA VAL 17 HA VAL 17 -10.332 -4.414 -17.281 147 HB VAL 17 HB VAL 17 -8.952 -3.933 -19.269 148 HG11 VAL 17 1HG1 VAL 17 -6.700 -3.489 -17.311 149 HG12 VAL 17 2HG1 VAL 17 -7.464 -2.264 -18.324 150 HG13 VAL 17 3HG1 VAL 17 -6.539 -3.570 -19.065 151 HG21 VAL 17 3HG2 VAL 17 -7.453 -5.879 -19.141 152 HG22 VAL 17 1HG2 VAL 17 -9.033 -6.231 -18.439 153 HG23 VAL 17 2HG2 VAL 17 -7.654 -5.917 -17.388 154 H ARG 18 H ARG 18 -8.978 -6.026 -16.066 155 HA ARG 18 HA ARG 18 -8.673 -5.313 -13.374 156 HB2 ARG 18 2HB ARG 18 -7.431 -7.711 -14.745 157 HB3 ARG 18 3HB ARG 18 -7.793 -7.549 -13.032 158 HG2 ARG 18 2HG ARG 18 -10.174 -7.515 -13.509 159 HG3 ARG 18 3HG ARG 18 -9.850 -7.593 -15.240 160 HD2 ARG 18 2HD ARG 18 -10.426 -9.795 -14.558 161 HD3 ARG 18 3HD ARG 18 -8.684 -9.789 -14.816 162 HE ARG 18 HE ARG 18 -9.419 -9.300 -12.082 163 HH11 ARG 18 1HH1 ARG 18 -8.892 -11.773 -14.428 164 HH12 ARG 18 2HH1 ARG 18 -8.566 -12.986 -13.239 165 HH21 ARG 18 1HH2 ARG 18 -9.003 -10.869 -10.565 166 HH22 ARG 18 2HH2 ARG 18 -8.639 -12.483 -11.078 167 H LEU 19 H LEU 19 -6.592 -5.844 -12.100 168 HA LEU 19 HA LEU 19 -4.707 -3.866 -12.653 169 HB2 LEU 19 2HB LEU 19 -3.426 -4.665 -10.798 170 HB3 LEU 19 3HB LEU 19 -5.128 -4.762 -10.396 171 HG LEU 19 HG LEU 19 -3.537 -7.165 -11.310 172 HD11 LEU 19 1HD1 LEU 19 -4.064 -6.257 -8.474 173 HD12 LEU 19 2HD1 LEU 19 -2.499 -6.264 -9.287 174 HD13 LEU 19 3HD1 LEU 19 -3.325 -7.785 -8.954 175 HD21 LEU 19 3HD2 LEU 19 -5.932 -7.432 -11.521 176 HD22 LEU 19 1HD2 LEU 19 -6.174 -6.871 -9.865 177 HD23 LEU 19 2HD2 LEU 19 -5.350 -8.401 -10.171 178 H ALA 20 H ALA 20 -4.904 -6.915 -14.119 179 HA ALA 20 HA ALA 20 -2.289 -7.652 -14.641 180 HB1 ALA 20 3HB ALA 20 -3.129 -8.679 -16.688 181 HB2 ALA 20 1HB ALA 20 -4.607 -7.723 -16.574 182 HB3 ALA 20 2HB ALA 20 -4.249 -8.939 -15.350 183 H SER 21 H SER 21 -4.010 -4.873 -15.815 184 HA SER 21 HA SER 21 -1.813 -4.220 -17.683 185 HB2 SER 21 2HB SER 21 -4.035 -4.212 -18.708 186 HB3 SER 21 3HB SER 21 -4.607 -3.063 -17.505 187 HG SER 21 HG SER 21 -3.989 -2.114 -19.555 188 H ASP 22 H ASP 22 -3.622 -2.997 -14.916 189 HA ASP 22 HA ASP 22 -1.625 -0.866 -14.559 190 HB2 ASP 22 2HB ASP 22 -3.529 0.175 -15.663 191 HB3 ASP 22 3HB ASP 22 -4.634 -0.504 -14.472 192 H THR 23 H THR 23 -0.722 -1.141 -12.613 193 HA THR 23 HA THR 23 -2.332 -2.297 -10.417 194 HB THR 23 HB THR 23 -0.087 -2.825 -9.376 195 HG1 THR 23 HG1 THR 23 1.565 -1.925 -10.343 196 HG21 THR 23 3HG2 THR 23 -1.383 -4.552 -10.536 197 HG22 THR 23 1HG2 THR 23 0.348 -4.782 -10.795 198 HG23 THR 23 2HG2 THR 23 -0.651 -4.082 -12.070 199 H ARG 24 H ARG 24 -3.073 -0.772 -9.080 200 HA ARG 24 HA ARG 24 -1.175 1.096 -7.872 201 HB2 ARG 24 2HB ARG 24 -3.694 1.918 -9.313 202 HB3 ARG 24 3HB ARG 24 -3.044 2.894 -8.002 203 HG2 ARG 24 2HG ARG 24 -0.953 3.186 -9.211 204 HG3 ARG 24 3HG ARG 24 -1.540 2.149 -10.513 205 HD2 ARG 24 2HD ARG 24 -2.935 4.693 -9.684 206 HD3 ARG 24 3HD ARG 24 -1.678 4.646 -10.921 207 HE ARG 24 HE ARG 24 -3.457 2.753 -11.725 208 HH11 ARG 24 1HH1 ARG 24 -3.766 6.097 -10.937 209 HH12 ARG 24 2HH1 ARG 24 -5.033 6.353 -12.080 210 HH21 ARG 24 1HH2 ARG 24 -5.048 3.101 -13.184 211 HH22 ARG 24 2HH2 ARG 24 -5.735 4.679 -13.363 212 H ILE 25 H ILE 25 -1.910 1.982 -5.824 213 HA ILE 25 HA ILE 25 -4.179 0.623 -4.561 214 HB ILE 25 HB ILE 25 -2.330 -0.916 -4.180 215 HG12 ILE 25 2HG1 ILE 25 -2.947 0.645 -1.649 216 HG13 ILE 25 3HG1 ILE 25 -3.980 -0.593 -2.355 217 HG21 ILE 25 1HG2 ILE 25 -0.874 1.431 -2.953 218 HG22 ILE 25 2HG2 ILE 25 -0.467 0.620 -4.465 219 HG23 ILE 25 3HG2 ILE 25 -0.319 -0.243 -2.934 220 HD11 ILE 25 3HD1 ILE 25 -2.227 -2.256 -1.990 221 HD12 ILE 25 1HD1 ILE 25 -2.725 -1.474 -0.488 222 HD13 ILE 25 2HD1 ILE 25 -1.208 -1.013 -1.262 223 H ASN 26 H ASN 26 -5.047 1.721 -2.796 224 HA ASN 26 HA ASN 26 -4.207 4.458 -2.385 225 HB2 ASN 26 2HB ASN 26 -6.427 2.791 -1.185 226 HB3 ASN 26 3HB ASN 26 -6.107 4.449 -0.690 227 HD21 ASN 26 1HD2 ASN 26 -5.700 3.376 -3.999 228 HD22 ASN 26 2HD2 ASN 26 -7.042 4.254 -4.632 229 H VAL 27 H VAL 27 -2.418 4.749 -1.266 230 HA VAL 27 HA VAL 27 -1.709 2.981 0.949 231 HB VAL 27 HB VAL 27 -0.062 5.174 -0.325 232 HG11 VAL 27 1HG1 VAL 27 0.698 4.505 1.888 233 HG12 VAL 27 2HG1 VAL 27 1.835 3.975 0.648 234 HG13 VAL 27 3HG1 VAL 27 0.728 2.815 1.386 235 HG21 VAL 27 3HG2 VAL 27 -0.665 3.556 -2.030 236 HG22 VAL 27 1HG2 VAL 27 -0.149 2.226 -0.991 237 HG23 VAL 27 2HG2 VAL 27 1.037 3.377 -1.608 238 H VAL 28 H VAL 28 -2.089 3.576 2.987 239 HA VAL 28 HA VAL 28 -2.672 6.370 3.632 240 HB VAL 28 HB VAL 28 -2.911 3.914 5.399 241 HG11 VAL 28 1HG1 VAL 28 -4.315 5.346 6.822 242 HG12 VAL 28 2HG1 VAL 28 -3.976 6.720 5.767 243 HG13 VAL 28 3HG1 VAL 28 -2.671 5.965 6.686 244 HG21 VAL 28 3HG2 VAL 28 -4.420 3.731 3.497 245 HG22 VAL 28 1HG2 VAL 28 -5.045 5.349 3.806 246 HG23 VAL 28 2HG2 VAL 28 -5.331 4.057 4.970 247 H ASP 29 H ASP 29 -0.985 7.596 4.194 248 HA ASP 29 HA ASP 29 1.490 6.509 5.140 249 HB2 ASP 29 2HB ASP 29 1.486 8.493 3.732 250 HB3 ASP 29 3HB ASP 29 0.518 9.368 4.916 251 HA PRO 30 HA PRO 30 0.114 6.541 9.427 252 HB2 PRO 30 2HB PRO 30 2.230 5.266 10.498 253 HB3 PRO 30 3HB PRO 30 1.053 4.419 9.485 254 HG2 PRO 30 2HG PRO 30 3.750 5.512 8.740 255 HG3 PRO 30 3HG PRO 30 3.037 3.934 8.348 256 HD2 PRO 30 2HD PRO 30 3.052 6.039 6.610 257 HD3 PRO 30 3HD PRO 30 1.791 4.789 6.610 258 H GLU 31 H GLU 31 2.833 8.183 8.114 259 HA GLU 31 HA GLU 31 3.782 9.296 10.613 260 HB2 GLU 31 2HB GLU 31 4.446 10.033 7.752 261 HB3 GLU 31 3HB GLU 31 5.300 10.609 9.179 262 HG2 GLU 31 2HG GLU 31 5.093 7.708 8.382 263 HG3 GLU 31 3HG GLU 31 6.445 8.758 7.968 264 H THR 32 H THR 32 1.957 10.538 7.808 265 HA THR 32 HA THR 32 1.319 12.976 9.350 266 HB THR 32 HB THR 32 0.732 14.065 7.270 267 HG1 THR 32 HG1 THR 32 1.526 11.813 5.752 268 HG21 THR 32 3HG2 THR 32 3.344 12.560 6.984 269 HG22 THR 32 1HG2 THR 32 3.111 14.079 7.849 270 HG23 THR 32 2HG2 THR 32 2.898 14.019 6.100 271 H GLY 33 H GLY 33 -0.113 10.222 7.722 272 HA2 GLY 33 2HA GLY 33 -2.198 9.297 8.362 273 HA3 GLY 33 3HA GLY 33 -2.689 10.863 8.982 274 H LYS 34 H LYS 34 -1.271 10.901 5.842 275 HA LYS 34 HA LYS 34 -3.842 11.620 4.683 276 HB2 LYS 34 2HB LYS 34 -2.612 12.356 2.749 277 HB3 LYS 34 3HB LYS 34 -1.802 12.958 4.188 278 HG2 LYS 34 2HG LYS 34 -0.045 11.365 3.965 279 HG3 LYS 34 3HG LYS 34 -0.927 10.476 2.719 280 HD2 LYS 34 2HD LYS 34 -0.792 12.488 1.257 281 HD3 LYS 34 3HD LYS 34 0.213 13.267 2.483 282 HE2 LYS 34 2HE LYS 34 1.934 11.601 2.208 283 HE3 LYS 34 3HE LYS 34 0.903 10.653 1.134 284 HZ1 LYS 34 3HZ LYS 34 0.967 12.471 -0.464 285 HZ2 LYS 34 1HZ LYS 34 2.529 11.921 -0.106 286 HZ3 LYS 34 2HZ LYS 34 1.969 13.367 0.565 287 H VAL 35 H VAL 35 -4.800 10.619 2.866 288 HA VAL 35 HA VAL 35 -4.003 7.824 2.416 289 HB VAL 35 HB VAL 35 -6.548 9.239 1.567 290 HG11 VAL 35 1HG1 VAL 35 -5.965 7.376 0.080 291 HG12 VAL 35 2HG1 VAL 35 -7.382 6.988 1.054 292 HG13 VAL 35 3HG1 VAL 35 -5.811 6.304 1.472 293 HG21 VAL 35 3HG2 VAL 35 -7.624 7.934 3.347 294 HG22 VAL 35 1HG2 VAL 35 -6.389 9.014 3.998 295 HG23 VAL 35 2HG2 VAL 35 -6.053 7.290 3.826 296 H GLU 36 H GLU 36 -2.347 7.934 1.013 297 HA GLU 36 HA GLU 36 -2.498 9.564 -1.410 298 HB2 GLU 36 2HB GLU 36 -0.449 9.512 0.034 299 HB3 GLU 36 3HB GLU 36 -0.255 7.812 -0.359 300 HG2 GLU 36 2HG GLU 36 1.243 9.185 -1.671 301 HG3 GLU 36 3HG GLU 36 0.068 8.380 -2.709 302 H ILE 37 H ILE 37 -1.703 8.466 -3.501 303 HA ILE 37 HA ILE 37 -2.513 5.618 -3.616 304 HB ILE 37 HB ILE 37 -3.005 7.715 -5.749 305 HG12 ILE 37 2HG1 ILE 37 -4.888 6.089 -4.008 306 HG13 ILE 37 3HG1 ILE 37 -4.637 7.831 -3.941 307 HG21 ILE 37 1HG2 ILE 37 -4.072 5.896 -7.035 308 HG22 ILE 37 2HG2 ILE 37 -3.541 4.737 -5.815 309 HG23 ILE 37 3HG2 ILE 37 -2.350 5.606 -6.783 310 HD11 ILE 37 3HD1 ILE 37 -5.902 6.276 -6.186 311 HD12 ILE 37 1HD1 ILE 37 -5.571 8.008 -6.221 312 HD13 ILE 37 2HD1 ILE 37 -6.709 7.352 -5.046 313 H ALA 38 H ALA 38 -0.975 4.269 -4.323 314 HA ALA 38 HA ALA 38 1.330 5.405 -5.790 315 HB1 ALA 38 3HB ALA 38 1.881 4.883 -3.457 316 HB2 ALA 38 1HB ALA 38 2.784 3.874 -4.587 317 HB3 ALA 38 2HB ALA 38 1.397 3.209 -3.723 318 H GLU 39 H GLU 39 2.592 3.823 -7.044 319 HA GLU 39 HA GLU 39 0.849 1.985 -8.520 320 HB2 GLU 39 2HB GLU 39 3.748 2.621 -9.103 321 HB3 GLU 39 3HB GLU 39 2.532 2.006 -10.215 322 HG2 GLU 39 2HG GLU 39 1.409 4.121 -10.257 323 HG3 GLU 39 3HG GLU 39 2.440 4.747 -8.970 324 H ILE 40 H ILE 40 0.892 -0.228 -8.067 325 HA ILE 40 HA ILE 40 2.940 -1.265 -6.290 326 HB ILE 40 HB ILE 40 0.775 -2.769 -7.787 327 HG12 ILE 40 2HG1 ILE 40 0.842 -1.730 -4.940 328 HG13 ILE 40 3HG1 ILE 40 -0.155 -1.098 -6.244 329 HG21 ILE 40 1HG2 ILE 40 2.502 -3.638 -5.463 330 HG22 ILE 40 2HG2 ILE 40 2.623 -4.225 -7.122 331 HG23 ILE 40 3HG2 ILE 40 1.181 -4.570 -6.168 332 HD11 ILE 40 3HD1 ILE 40 -0.358 -3.849 -5.040 333 HD12 ILE 40 1HD1 ILE 40 -1.357 -3.223 -6.351 334 HD13 ILE 40 2HD1 ILE 40 -1.449 -2.495 -4.746 335 H ARG 41 H ARG 41 4.907 -1.517 -7.110 336 HA ARG 41 HA ARG 41 5.301 -2.311 -9.875 337 HB2 ARG 41 2HB ARG 41 7.292 -1.456 -7.762 338 HB3 ARG 41 3HB ARG 41 7.672 -1.754 -9.462 339 HG2 ARG 41 2HG ARG 41 6.061 -0.006 -10.115 340 HG3 ARG 41 3HG ARG 41 5.730 0.308 -8.415 341 HD2 ARG 41 2HD ARG 41 8.033 1.043 -8.089 342 HD3 ARG 41 3HD ARG 41 8.400 0.677 -9.779 343 HE ARG 41 HE ARG 41 6.183 2.457 -9.512 344 HH11 ARG 41 1HH1 ARG 41 9.628 2.347 -9.564 345 HH12 ARG 41 2HH1 ARG 41 9.765 3.993 -10.076 346 HH21 ARG 41 1HH2 ARG 41 6.380 4.539 -10.194 347 HH22 ARG 41 2HH2 ARG 41 7.959 5.211 -10.448 348 H ASN 42 H ASN 42 5.927 -3.655 -6.667 349 HA ASN 42 HA ASN 42 6.145 -6.290 -7.959 350 HB2 ASN 42 2HB ASN 42 7.983 -5.187 -5.841 351 HB3 ASN 42 3HB ASN 42 7.733 -6.923 -6.009 352 HD21 ASN 42 1HD2 ASN 42 9.217 -4.126 -7.335 353 HD22 ASN 42 2HD2 ASN 42 10.043 -4.919 -8.625 354 H VAL 43 H VAL 43 5.296 -8.034 -6.819 355 HA VAL 43 HA VAL 43 3.314 -7.234 -4.787 356 HB VAL 43 HB VAL 43 2.064 -9.248 -5.447 357 HG11 VAL 43 1HG1 VAL 43 2.829 -7.503 -7.795 358 HG12 VAL 43 2HG1 VAL 43 1.610 -7.121 -6.578 359 HG13 VAL 43 3HG1 VAL 43 1.370 -8.487 -7.668 360 HG21 VAL 43 3HG2 VAL 43 3.934 -10.672 -6.115 361 HG22 VAL 43 1HG2 VAL 43 4.250 -9.628 -7.503 362 HG23 VAL 43 2HG2 VAL 43 2.748 -10.549 -7.415 363 H VAL 44 H VAL 44 6.277 -8.327 -4.567 364 HA VAL 44 HA VAL 44 5.884 -10.737 -2.993 365 HB VAL 44 HB VAL 44 7.828 -10.594 -4.480 366 HG11 VAL 44 1HG1 VAL 44 8.763 -8.347 -2.688 367 HG12 VAL 44 2HG1 VAL 44 8.259 -8.200 -4.373 368 HG13 VAL 44 3HG1 VAL 44 9.714 -9.108 -3.964 369 HG21 VAL 44 3HG2 VAL 44 7.969 -12.025 -2.496 370 HG22 VAL 44 1HG2 VAL 44 8.613 -10.675 -1.559 371 HG23 VAL 44 2HG2 VAL 44 9.547 -11.345 -2.896 372 H GLU 45 H GLU 45 6.179 -10.945 -0.788 373 HA GLU 45 HA GLU 45 6.336 -8.434 0.767 374 HB2 GLU 45 2HB GLU 45 4.821 -9.465 2.402 375 HB3 GLU 45 3HB GLU 45 4.078 -9.388 0.810 376 HG2 GLU 45 2HG GLU 45 4.593 -11.758 0.455 377 HG3 GLU 45 3HG GLU 45 5.335 -11.834 2.052 378 H ASN 46 H ASN 46 6.958 -8.898 3.149 379 HA ASN 46 HA ASN 46 9.443 -10.223 3.294 380 HB2 ASN 46 2HB ASN 46 7.593 -9.446 5.567 381 HB3 ASN 46 3HB ASN 46 9.288 -9.892 5.738 382 HD21 ASN 46 1HD2 ASN 46 10.197 -8.059 6.389 383 HD22 ASN 46 2HD2 ASN 46 10.135 -6.563 5.534 384 H THR 47 H THR 47 9.486 -12.355 2.784 385 HA THR 47 HA THR 47 8.372 -14.271 4.641 386 HB THR 47 HB THR 47 6.409 -13.947 3.220 387 HG1 THR 47 HG1 THR 47 6.176 -16.147 2.549 388 HG21 THR 47 3HG2 THR 47 8.189 -14.761 0.911 389 HG22 THR 47 1HG2 THR 47 7.537 -13.146 1.187 390 HG23 THR 47 2HG2 THR 47 6.449 -14.487 0.830 391 H ALA 48 H ALA 48 8.916 -16.561 3.962 392 HA ALA 48 HA ALA 48 11.693 -16.641 3.175 393 HB1 ALA 48 3HB ALA 48 11.595 -18.990 3.796 394 HB2 ALA 48 1HB ALA 48 9.836 -18.908 3.907 395 HB3 ALA 48 2HB ALA 48 10.834 -17.997 5.037 396 H ASN 49 H ASN 49 9.485 -16.068 1.130 397 HA ASN 49 HA ASN 49 10.124 -18.208 -0.800 398 HB2 ASN 49 2HB ASN 49 7.744 -16.328 -0.770 399 HB3 ASN 49 3HB ASN 49 8.052 -17.568 -1.982 400 HD21 ASN 49 1HD2 ASN 49 5.822 -17.205 -0.081 401 HD22 ASN 49 2HD2 ASN 49 5.729 -18.690 0.799 402 HA PRO 50 HA PRO 50 12.176 -14.423 -2.467 403 HB2 PRO 50 2HB PRO 50 14.602 -15.475 -2.965 404 HB3 PRO 50 3HB PRO 50 14.107 -14.994 -1.338 405 HG2 PRO 50 2HG PRO 50 14.240 -17.724 -2.549 406 HG3 PRO 50 3HG PRO 50 14.654 -17.204 -0.905 407 HD2 PRO 50 2HD PRO 50 12.259 -18.414 -1.646 408 HD3 PRO 50 3HD PRO 50 12.506 -17.456 -0.175 409 H HIS 51 H HIS 51 13.044 -17.596 -3.934 410 HA HIS 51 HA HIS 51 12.924 -16.391 -6.586 411 HB2 HIS 51 2HB HIS 51 13.885 -19.068 -5.577 412 HB3 HIS 51 3HB HIS 51 13.778 -18.692 -7.293 413 HD1 HIS 51 HD1 HIS 51 15.850 -17.766 -8.274 414 HD2 HIS 51 HD2 HIS 51 15.656 -17.088 -4.178 415 HE1 HIS 51 HE1 HIS 51 18.022 -16.668 -7.670 416 HE2 HIS 51 HE2 HIS 51 17.940 -16.391 -5.175 417 H PHE 52 H PHE 52 10.530 -17.355 -4.767 418 HA PHE 52 HA PHE 52 9.182 -19.162 -6.615 419 HB2 PHE 52 2HB PHE 52 8.297 -17.906 -4.003 420 HB3 PHE 52 3HB PHE 52 7.299 -18.996 -4.957 421 HD1 PHE 52 HD1 PHE 52 10.433 -18.757 -2.998 422 HD2 PHE 52 HD2 PHE 52 7.592 -21.344 -4.844 423 HE1 PHE 52 HE1 PHE 52 11.440 -20.685 -1.848 424 HE2 PHE 52 HE2 PHE 52 8.604 -23.273 -3.699 425 HZ PHE 52 HZ PHE 52 10.528 -22.945 -2.199 426 H VAL 53 H VAL 53 8.017 -18.445 -8.298 427 HA VAL 53 HA VAL 53 7.308 -15.615 -8.473 428 HB VAL 53 HB VAL 53 8.374 -16.898 -10.378 429 HG11 VAL 53 1HG1 VAL 53 5.611 -18.081 -10.678 430 HG12 VAL 53 2HG1 VAL 53 7.067 -18.955 -10.205 431 HG13 VAL 53 3HG1 VAL 53 6.948 -18.254 -11.817 432 HG21 VAL 53 3HG2 VAL 53 7.091 -15.757 -12.116 433 HG22 VAL 53 1HG2 VAL 53 7.307 -14.718 -10.710 434 HG23 VAL 53 2HG2 VAL 53 5.757 -15.510 -10.989 435 H ARG 54 H ARG 54 5.859 -17.889 -6.859 436 HA ARG 54 HA ARG 54 3.132 -17.267 -7.797 437 HB2 ARG 54 2HB ARG 54 4.073 -19.624 -6.139 438 HB3 ARG 54 3HB ARG 54 2.408 -19.321 -6.633 439 HG2 ARG 54 2HG ARG 54 3.282 -19.375 -9.033 440 HG3 ARG 54 3HG ARG 54 4.765 -20.050 -8.358 441 HD2 ARG 54 2HD ARG 54 2.009 -21.228 -8.007 442 HD3 ARG 54 3HD ARG 54 3.187 -21.764 -9.202 443 HE ARG 54 HE ARG 54 4.326 -21.869 -6.619 444 HH11 ARG 54 1HH1 ARG 54 1.937 -23.454 -8.540 445 HH12 ARG 54 2HH1 ARG 54 2.184 -24.983 -7.771 446 HH21 ARG 54 1HH2 ARG 54 4.620 -23.857 -5.642 447 HH22 ARG 54 2HH2 ARG 54 3.681 -25.210 -6.178 448 H ARG 55 H ARG 55 1.594 -17.759 -5.648 449 HA ARG 55 HA ARG 55 0.754 -16.817 -3.749 450 HB2 ARG 55 2HB ARG 55 3.045 -17.319 -2.765 451 HB3 ARG 55 3HB ARG 55 3.500 -15.674 -3.162 452 HG2 ARG 55 2HG ARG 55 1.037 -15.863 -1.572 453 HG3 ARG 55 3HG ARG 55 2.459 -16.521 -0.767 454 HD2 ARG 55 2HD ARG 55 2.485 -14.295 -0.093 455 HD3 ARG 55 3HD ARG 55 3.592 -14.285 -1.464 456 HE ARG 55 HE ARG 55 0.822 -13.636 -2.026 457 HH11 ARG 55 1HH1 ARG 55 3.980 -12.427 -1.378 458 HH12 ARG 55 2HH1 ARG 55 3.660 -10.897 -2.110 459 HH21 ARG 55 1HH2 ARG 55 0.431 -11.666 -2.955 460 HH22 ARG 55 2HH2 ARG 55 1.681 -10.472 -2.986 461 H ASN 56 H ASN 56 2.229 -15.129 -6.249 462 HA ASN 56 HA ASN 56 2.254 -12.477 -5.780 463 HB2 ASN 56 2HB ASN 56 1.212 -13.901 -8.231 464 HB3 ASN 56 3HB ASN 56 1.553 -12.174 -8.183 465 HD21 ASN 56 1HD2 ASN 56 3.139 -12.382 -9.767 466 HD22 ASN 56 2HD2 ASN 56 4.687 -13.065 -9.421 467 H ILE 57 H ILE 57 -0.660 -14.362 -5.780 468 HA ILE 57 HA ILE 57 -2.635 -12.503 -6.319 469 HB ILE 57 HB ILE 57 -2.681 -14.635 -4.169 470 HG12 ILE 57 2HG1 ILE 57 -3.582 -14.767 -7.067 471 HG13 ILE 57 3HG1 ILE 57 -2.107 -15.486 -6.430 472 HG21 ILE 57 1HG2 ILE 57 -4.958 -13.204 -5.553 473 HG22 ILE 57 2HG2 ILE 57 -4.495 -13.050 -3.857 474 HG23 ILE 57 3HG2 ILE 57 -5.132 -14.578 -4.460 475 HD11 ILE 57 3HD1 ILE 57 -3.801 -17.170 -6.688 476 HD12 ILE 57 1HD1 ILE 57 -4.928 -16.239 -5.700 477 HD13 ILE 57 2HD1 ILE 57 -3.475 -16.923 -4.972 478 H ILE 58 H ILE 58 -3.051 -10.552 -5.459 479 HA ILE 58 HA ILE 58 -1.907 -9.684 -2.975 480 HB ILE 58 HB ILE 58 -4.010 -8.317 -4.676 481 HG12 ILE 58 2HG1 ILE 58 -1.937 -8.707 -5.935 482 HG13 ILE 58 3HG1 ILE 58 -2.143 -6.995 -5.591 483 HG21 ILE 58 1HG2 ILE 58 -3.981 -7.436 -2.407 484 HG22 ILE 58 2HG2 ILE 58 -3.302 -6.257 -3.529 485 HG23 ILE 58 3HG2 ILE 58 -2.234 -7.208 -2.495 486 HD11 ILE 58 3HD1 ILE 58 -0.537 -7.190 -3.744 487 HD12 ILE 58 1HD1 ILE 58 0.157 -7.645 -5.300 488 HD13 ILE 58 2HD1 ILE 58 -0.310 -8.893 -4.145 489 H THR 59 H THR 59 -2.791 -9.678 -0.964 490 HA THR 59 HA THR 59 -5.684 -9.868 -0.624 491 HB THR 59 HB THR 59 -5.010 -12.220 -0.669 492 HG1 THR 59 HG1 THR 59 -5.877 -12.767 1.416 493 HG21 THR 59 3HG2 THR 59 -3.245 -11.556 1.699 494 HG22 THR 59 1HG2 THR 59 -2.671 -11.920 0.070 495 HG23 THR 59 2HG2 THR 59 -3.511 -13.158 1.006 496 H ARG 60 H ARG 60 -6.177 -9.943 1.859 497 HA ARG 60 HA ARG 60 -5.101 -7.516 2.920 498 HB2 ARG 60 2HB ARG 60 -7.447 -8.096 3.238 499 HB3 ARG 60 3HB ARG 60 -6.995 -9.548 4.125 500 HG2 ARG 60 2HG ARG 60 -6.077 -8.217 5.922 501 HG3 ARG 60 3HG ARG 60 -6.376 -6.733 5.015 502 HD2 ARG 60 2HD ARG 60 -8.775 -7.113 5.129 503 HD3 ARG 60 3HD ARG 60 -8.514 -8.656 5.945 504 HE ARG 60 HE ARG 60 -7.268 -6.671 7.448 505 HH11 ARG 60 1HH1 ARG 60 -10.480 -7.533 6.509 506 HH12 ARG 60 2HH1 ARG 60 -11.175 -6.907 7.960 507 HH21 ARG 60 1HH2 ARG 60 -8.177 -5.891 9.291 508 HH22 ARG 60 2HH2 ARG 60 -9.886 -5.988 9.519 509 H GLY 61 H GLY 61 -3.295 -7.301 4.082 510 HA2 GLY 61 2HA GLY 61 -2.027 -7.871 6.075 511 HA3 GLY 61 3HA GLY 61 -2.387 -9.561 5.769 512 H ALA 62 H ALA 62 -1.799 -8.756 2.786 513 HA ALA 62 HA ALA 62 0.967 -9.607 2.864 514 HB1 ALA 62 3HB ALA 62 -0.795 -8.971 0.497 515 HB2 ALA 62 1HB ALA 62 -0.594 -10.560 1.235 516 HB3 ALA 62 2HB ALA 62 0.773 -9.777 0.442 517 H VAL 63 H VAL 63 2.764 -8.440 2.241 518 HA VAL 63 HA VAL 63 2.451 -5.532 1.975 519 HB VAL 63 HB VAL 63 4.955 -7.171 2.446 520 HG11 VAL 63 1HG1 VAL 63 6.029 -5.024 2.982 521 HG12 VAL 63 2HG1 VAL 63 4.549 -4.176 2.531 522 HG13 VAL 63 3HG1 VAL 63 5.460 -5.069 1.314 523 HG21 VAL 63 3HG2 VAL 63 3.429 -7.272 4.351 524 HG22 VAL 63 1HG2 VAL 63 3.329 -5.511 4.381 525 HG23 VAL 63 2HG2 VAL 63 4.856 -6.315 4.743 526 H VAL 64 H VAL 64 3.142 -4.396 0.183 527 HA VAL 64 HA VAL 64 4.325 -5.922 -2.057 528 HB VAL 64 HB VAL 64 3.051 -4.534 -3.641 529 HG11 VAL 64 1HG1 VAL 64 2.143 -6.696 -3.013 530 HG12 VAL 64 2HG1 VAL 64 0.834 -5.542 -3.269 531 HG13 VAL 64 3HG1 VAL 64 1.317 -5.978 -1.629 532 HG21 VAL 64 3HG2 VAL 64 2.741 -2.540 -2.257 533 HG22 VAL 64 1HG2 VAL 64 1.650 -3.431 -1.194 534 HG23 VAL 64 2HG2 VAL 64 1.195 -3.124 -2.870 535 H GLU 65 H GLU 65 5.238 -4.332 -3.763 536 HA GLU 65 HA GLU 65 6.719 -2.168 -2.403 537 HB2 GLU 65 2HB GLU 65 8.146 -4.004 -3.230 538 HB3 GLU 65 3HB GLU 65 7.506 -3.772 -4.852 539 HG2 GLU 65 2HG GLU 65 8.435 -1.463 -4.829 540 HG3 GLU 65 3HG GLU 65 9.180 -1.823 -3.273 541 H THR 66 H THR 66 6.605 -0.135 -3.197 542 HA THR 66 HA THR 66 5.198 0.356 -5.739 543 HB THR 66 HB THR 66 3.806 2.089 -4.774 544 HG1 THR 66 HG1 THR 66 4.827 1.395 -2.205 545 HG21 THR 66 3HG2 THR 66 2.334 0.772 -3.331 546 HG22 THR 66 1HG2 THR 66 3.615 -0.418 -3.090 547 HG23 THR 66 2HG2 THR 66 2.904 -0.196 -4.689 548 H ASN 67 H ASN 67 5.189 2.881 -6.115 549 HA ASN 67 HA ASN 67 7.901 3.724 -6.337 550 HB2 ASN 67 2HB ASN 67 6.909 5.831 -7.248 551 HB3 ASN 67 3HB ASN 67 6.329 4.370 -8.036 552 HD21 ASN 67 1HD2 ASN 67 5.127 7.029 -7.841 553 HD22 ASN 67 2HD2 ASN 67 3.560 6.785 -7.153 554 H LEU 68 H LEU 68 5.644 4.045 -3.793 555 HA LEU 68 HA LEU 68 7.050 6.339 -2.612 556 HB2 LEU 68 2HB LEU 68 4.614 4.846 -1.612 557 HB3 LEU 68 3HB LEU 68 5.270 6.326 -0.934 558 HG LEU 68 HG LEU 68 4.009 6.030 -3.667 559 HD11 LEU 68 1HD1 LEU 68 2.241 7.445 -2.755 560 HD12 LEU 68 2HD1 LEU 68 3.045 7.451 -1.184 561 HD13 LEU 68 3HD1 LEU 68 2.395 5.948 -1.837 562 HD21 LEU 68 3HD2 LEU 68 4.256 8.451 -3.848 563 HD22 LEU 68 1HD2 LEU 68 5.827 7.670 -3.685 564 HD23 LEU 68 2HD2 LEU 68 5.106 8.493 -2.303 565 H GLY 69 H GLY 69 7.072 2.943 -2.526 566 HA2 GLY 69 2HA GLY 69 8.972 2.111 -0.999 567 HA3 GLY 69 3HA GLY 69 7.994 2.825 0.279 568 H ASN 70 H ASN 70 7.632 0.809 1.320 569 HA ASN 70 HA ASN 70 6.202 -1.226 -0.230 570 HB2 ASN 70 2HB ASN 70 7.330 -1.289 2.580 571 HB3 ASN 70 3HB ASN 70 6.449 -2.623 1.830 572 HD21 ASN 70 1HD2 ASN 70 7.338 -3.591 -0.048 573 HD22 ASN 70 2HD2 ASN 70 9.043 -3.552 -0.318 574 H VAL 71 H VAL 71 4.150 -2.017 0.359 575 HA VAL 71 HA VAL 71 2.616 -0.340 2.239 576 HB VAL 71 HB VAL 71 1.613 -1.173 -0.493 577 HG11 VAL 71 1HG1 VAL 71 0.363 0.599 1.611 578 HG12 VAL 71 2HG1 VAL 71 -0.159 -1.029 1.174 579 HG13 VAL 71 3HG1 VAL 71 -0.295 0.283 0.004 580 HG21 VAL 71 3HG2 VAL 71 3.325 0.554 -0.710 581 HG22 VAL 71 1HG2 VAL 71 2.482 1.560 0.469 582 HG23 VAL 71 2HG2 VAL 71 1.732 1.208 -1.089 583 H ARG 72 H ARG 72 1.481 -1.529 3.666 584 HA ARG 72 HA ARG 72 1.090 -4.390 3.127 585 HB2 ARG 72 2HB ARG 72 2.118 -3.734 5.280 586 HB3 ARG 72 3HB ARG 72 0.662 -2.843 5.693 587 HG2 ARG 72 2HG ARG 72 -0.633 -4.859 5.746 588 HG3 ARG 72 3HG ARG 72 0.729 -5.809 5.152 589 HD2 ARG 72 2HD ARG 72 0.751 -4.279 7.752 590 HD3 ARG 72 3HD ARG 72 0.295 -5.976 7.624 591 HE ARG 72 HE ARG 72 2.965 -4.991 6.835 592 HH11 ARG 72 1HH1 ARG 72 0.938 -7.242 8.467 593 HH12 ARG 72 2HH1 ARG 72 2.257 -8.236 8.971 594 HH21 ARG 72 1HH2 ARG 72 4.659 -6.268 7.508 595 HH22 ARG 72 2HH2 ARG 72 4.334 -7.683 8.449 596 H VAL 73 H VAL 73 -0.780 -5.046 2.300 597 HA VAL 73 HA VAL 73 -2.958 -3.340 1.818 598 HB VAL 73 HB VAL 73 -2.937 -6.368 1.744 599 HG11 VAL 73 1HG1 VAL 73 -5.206 -5.468 1.708 600 HG12 VAL 73 2HG1 VAL 73 -4.780 -6.122 0.127 601 HG13 VAL 73 3HG1 VAL 73 -4.772 -4.378 0.389 602 HG21 VAL 73 3HG2 VAL 73 -2.410 -6.122 -0.636 603 HG22 VAL 73 1HG2 VAL 73 -1.152 -5.395 0.368 604 HG23 VAL 73 2HG2 VAL 73 -2.335 -4.369 -0.448 605 H THR 74 H THR 74 -4.685 -2.779 2.971 606 HA THR 74 HA THR 74 -5.166 -4.043 5.587 607 HB THR 74 HB THR 74 -6.518 -2.000 6.075 608 HG1 THR 74 HG1 THR 74 -6.691 -0.410 4.596 609 HG21 THR 74 3HG2 THR 74 -4.151 -2.112 6.722 610 HG22 THR 74 1HG2 THR 74 -4.626 -0.468 6.293 611 HG23 THR 74 2HG2 THR 74 -3.694 -1.442 5.155 612 H SER 75 H SER 75 -6.903 -3.075 2.639 613 HA SER 75 HA SER 75 -9.347 -4.373 3.654 614 HB2 SER 75 2HB SER 75 -8.955 -2.495 1.305 615 HB3 SER 75 3HB SER 75 -10.497 -3.217 1.767 616 HG SER 75 HG SER 75 -10.007 -1.024 2.586 617 H ARG 76 H ARG 76 -10.730 -5.312 1.696 618 HA ARG 76 HA ARG 76 -9.103 -7.433 0.545 619 HB2 ARG 76 2HB ARG 76 -12.059 -6.975 0.828 620 HB3 ARG 76 3HB ARG 76 -11.460 -8.190 -0.293 621 HG2 ARG 76 2HG ARG 76 -10.892 -8.104 2.670 622 HG3 ARG 76 3HG ARG 76 -12.059 -9.158 1.868 623 HD2 ARG 76 2HD ARG 76 -9.057 -9.159 1.513 624 HD3 ARG 76 3HD ARG 76 -10.039 -10.405 2.285 625 HE ARG 76 HE ARG 76 -10.917 -10.035 -0.364 626 HH11 ARG 76 1HH1 ARG 76 -8.269 -11.385 1.390 627 HH12 ARG 76 2HH1 ARG 76 -7.847 -12.467 0.114 628 HH21 ARG 76 1HH2 ARG 76 -10.379 -11.440 -1.963 629 HH22 ARG 76 2HH2 ARG 76 -9.044 -12.522 -1.750 630 HA PRO 77 HA PRO 77 -8.722 -5.182 -3.341 631 HB2 PRO 77 2HB PRO 77 -7.602 -7.753 -4.286 632 HB3 PRO 77 3HB PRO 77 -6.869 -6.146 -4.273 633 HG2 PRO 77 2HG PRO 77 -6.081 -8.071 -2.589 634 HG3 PRO 77 3HG PRO 77 -6.106 -6.366 -2.106 635 HD2 PRO 77 2HD PRO 77 -8.042 -8.560 -1.446 636 HD3 PRO 77 3HD PRO 77 -7.433 -7.244 -0.419 637 H GLY 78 H GLY 78 -10.019 -5.080 -5.121 638 HA2 GLY 78 2HA GLY 78 -11.270 -5.940 -6.912 639 HA3 GLY 78 3HA GLY 78 -11.335 -7.494 -6.107 640 H GLN 79 H GLN 79 -12.321 -6.548 -3.581 641 HA GLN 79 HA GLN 79 -15.018 -6.897 -3.812 642 HB2 GLN 79 2HB GLN 79 -13.581 -6.829 -1.707 643 HB3 GLN 79 3HB GLN 79 -13.795 -5.089 -1.716 644 HG2 GLN 79 2HG GLN 79 -15.999 -7.135 -1.476 645 HG3 GLN 79 3HG GLN 79 -15.306 -6.212 -0.151 646 HE21 GLN 79 1HE2 GLN 79 -15.702 -3.934 -0.097 647 HE22 GLN 79 2HE2 GLN 79 -17.089 -3.266 -0.884 648 H ASP 80 H ASP 80 -13.891 -3.640 -2.861 649 HA ASP 80 HA ASP 80 -16.135 -2.398 -4.168 650 HB2 ASP 80 2HB ASP 80 -15.131 -1.549 -2.043 651 HB3 ASP 80 3HB ASP 80 -13.683 -1.103 -2.941 652 H GLY 81 H GLY 81 -13.129 -3.466 -5.219 653 HA2 GLY 81 2HA GLY 81 -12.454 -3.326 -7.519 654 HA3 GLY 81 3HA GLY 81 -13.230 -1.752 -7.620 655 H VAL 82 H VAL 82 -12.033 -0.952 -5.010 656 HA VAL 82 HA VAL 82 -9.354 -0.262 -6.018 657 HB VAL 82 HB VAL 82 -10.843 1.641 -5.531 658 HG11 VAL 82 1HG1 VAL 82 -11.508 2.176 -3.239 659 HG12 VAL 82 2HG1 VAL 82 -10.800 0.664 -2.670 660 HG13 VAL 82 3HG1 VAL 82 -12.190 0.633 -3.756 661 HG21 VAL 82 3HG2 VAL 82 -8.529 1.450 -3.595 662 HG22 VAL 82 1HG2 VAL 82 -9.297 2.937 -4.154 663 HG23 VAL 82 2HG2 VAL 82 -8.417 1.915 -5.293 664 H ILE 83 H ILE 83 -7.517 -0.536 -4.739 665 HA ILE 83 HA ILE 83 -7.802 -2.376 -2.454 666 HB ILE 83 HB ILE 83 -5.268 -1.711 -3.978 667 HG12 ILE 83 2HG1 ILE 83 -7.126 -4.084 -4.353 668 HG13 ILE 83 3HG1 ILE 83 -6.952 -2.744 -5.481 669 HG21 ILE 83 1HG2 ILE 83 -4.931 -2.608 -1.716 670 HG22 ILE 83 2HG2 ILE 83 -4.382 -3.739 -2.949 671 HG23 ILE 83 3HG2 ILE 83 -5.916 -4.012 -2.123 672 HD11 ILE 83 3HD1 ILE 83 -5.729 -4.724 -6.210 673 HD12 ILE 83 1HD1 ILE 83 -4.776 -4.686 -4.728 674 HD13 ILE 83 2HD1 ILE 83 -4.645 -3.370 -5.899 675 H ASN 84 H ASN 84 -6.821 -1.930 -0.458 676 HA ASN 84 HA ASN 84 -5.726 0.794 -0.092 677 HB2 ASN 84 2HB ASN 84 -7.655 -0.681 1.719 678 HB3 ASN 84 3HB ASN 84 -6.875 0.844 2.122 679 HD21 ASN 84 1HD2 ASN 84 -7.610 2.715 1.201 680 HD22 ASN 84 2HD2 ASN 84 -9.049 2.801 0.246 681 H GLY 85 H GLY 85 -4.155 1.054 1.568 682 HA2 GLY 85 2HA GLY 85 -3.331 -1.132 3.243 683 HA3 GLY 85 3HA GLY 85 -2.234 -0.892 1.892 684 H VAL 86 H VAL 86 -1.056 -0.629 4.244 685 HA VAL 86 HA VAL 86 -1.015 2.252 4.918 686 HB VAL 86 HB VAL 86 0.363 0.090 6.516 687 HG11 VAL 86 1HG1 VAL 86 1.063 2.346 7.010 688 HG12 VAL 86 2HG1 VAL 86 0.107 1.723 8.355 689 HG13 VAL 86 3HG1 VAL 86 -0.612 2.860 7.213 690 HG21 VAL 86 3HG2 VAL 86 -1.612 0.031 7.997 691 HG22 VAL 86 1HG2 VAL 86 -1.956 -0.588 6.381 692 HG23 VAL 86 2HG2 VAL 86 -2.489 1.031 6.838 693 H LEU 87 H LEU 87 0.884 3.456 4.793 694 HA LEU 87 HA LEU 87 2.935 2.474 3.029 695 HB2 LEU 87 2HB LEU 87 2.161 4.819 2.984 696 HB3 LEU 87 3HB LEU 87 2.814 5.062 4.593 697 HG LEU 87 HG LEU 87 5.087 4.701 3.753 698 HD11 LEU 87 1HD1 LEU 87 4.596 3.116 1.962 699 HD12 LEU 87 2HD1 LEU 87 5.529 4.485 1.356 700 HD13 LEU 87 3HD1 LEU 87 3.796 4.390 1.039 701 HD21 LEU 87 3HD2 LEU 87 4.206 6.969 3.744 702 HD22 LEU 87 1HD2 LEU 87 3.532 6.723 2.131 703 HD23 LEU 87 2HD2 LEU 87 5.280 6.721 2.369 704 H ILE 88 H ILE 88 4.533 1.213 3.670 705 HA ILE 88 HA ILE 88 5.881 1.724 6.238 706 HB ILE 88 HB ILE 88 6.126 -0.690 6.620 707 HG12 ILE 88 2HG1 ILE 88 4.480 -0.892 4.094 708 HG13 ILE 88 3HG1 ILE 88 6.055 -1.592 4.410 709 HG21 ILE 88 1HG2 ILE 88 3.830 -1.166 7.301 710 HG22 ILE 88 2HG2 ILE 88 3.235 0.122 6.253 711 HG23 ILE 88 3HG2 ILE 88 4.244 0.514 7.648 712 HD11 ILE 88 3HD1 ILE 88 4.335 -3.287 4.415 713 HD12 ILE 88 1HD1 ILE 88 3.474 -2.436 5.696 714 HD13 ILE 88 2HD1 ILE 88 5.066 -3.129 6.011 715 H ARG 89 H ARG 89 7.957 0.148 6.236 716 HA ARG 89 HA ARG 89 9.294 0.315 3.618 717 HB2 ARG 89 2HB ARG 89 10.472 1.468 6.168 718 HB3 ARG 89 3HB ARG 89 11.250 1.431 4.595 719 HG2 ARG 89 2HG ARG 89 8.718 2.955 5.213 720 HG3 ARG 89 3HG ARG 89 10.337 3.650 5.213 721 HD2 ARG 89 2HD ARG 89 9.068 2.315 2.817 722 HD3 ARG 89 3HD ARG 89 9.027 4.052 3.119 723 HE ARG 89 HE ARG 89 11.669 2.855 3.065 724 HH11 ARG 89 1HH1 ARG 89 9.197 4.444 1.244 725 HH12 ARG 89 2HH1 ARG 89 10.305 5.016 0.047 726 HH21 ARG 89 1HH2 ARG 89 13.062 3.607 1.511 727 HH22 ARG 89 2HH2 ARG 89 12.456 4.548 0.187 728 H GLU 90 H GLU 90 8.357 -1.968 5.163 729 HA GLU 90 HA GLU 90 10.339 -3.156 6.745 730 HB2 GLU 90 2HB GLU 90 8.102 -4.402 5.152 731 HB3 GLU 90 3HB GLU 90 9.126 -5.310 6.260 732 HG2 GLU 90 2HG GLU 90 8.407 -3.755 8.080 733 HG3 GLU 90 3HG GLU 90 7.269 -3.033 6.946 734 H LEU 91 H LEU 91 9.613 -3.944 3.291 735 HA LEU 91 HA LEU 91 11.984 -5.456 2.933 736 HB2 LEU 91 2HB LEU 91 10.287 -3.969 0.918 737 HB3 LEU 91 3HB LEU 91 11.639 -4.992 0.474 738 HG LEU 91 HG LEU 91 9.117 -5.910 1.873 739 HD11 LEU 91 1HD1 LEU 91 8.695 -7.132 -0.224 740 HD12 LEU 91 2HD1 LEU 91 10.088 -6.335 -0.952 741 HD13 LEU 91 3HD1 LEU 91 8.693 -5.384 -0.446 742 HD21 LEU 91 3HD2 LEU 91 11.054 -7.211 2.594 743 HD22 LEU 91 1HD2 LEU 91 11.498 -7.507 0.912 744 HD23 LEU 91 2HD2 LEU 91 10.000 -8.176 1.562 745 H GLU 92 H GLU 92 13.994 -4.846 1.937 746 HA GLU 92 HA GLU 92 15.040 -2.563 3.177 747 HB2 GLU 92 2HB GLU 92 16.189 -4.764 2.299 748 HB3 GLU 92 3HB GLU 92 16.468 -3.812 0.849 749 HG2 GLU 92 2HG GLU 92 17.344 -2.996 3.619 750 HG3 GLU 92 3HG GLU 92 18.368 -3.834 2.458 751 H HIS 93 H HIS 93 14.091 -0.667 2.624 752 HA HIS 93 HA HIS 93 14.888 0.499 0.060 753 HB2 HIS 93 2HB HIS 93 12.056 0.420 1.112 754 HB3 HIS 93 3HB HIS 93 12.588 1.663 -0.013 755 HD1 HIS 93 HD1 HIS 93 13.084 0.935 -2.438 756 HD2 HIS 93 HD2 HIS 93 11.660 -2.122 -0.006 757 HE1 HIS 93 HE1 HIS 93 12.426 -0.913 -3.998 758 HE2 HIS 93 HE2 HIS 93 11.648 -2.781 -2.513 759 H HIS 94 H HIS 94 16.339 1.908 0.962 760 HA HIS 94 HA HIS 94 15.995 3.257 3.421 761 HB2 HIS 94 2HB HIS 94 17.793 3.931 1.080 762 HB3 HIS 94 3HB HIS 94 17.897 4.688 2.666 763 HD1 HIS 94 HD1 HIS 94 18.561 3.038 4.675 764 HD2 HIS 94 HD2 HIS 94 19.154 1.561 0.843 765 HE1 HIS 94 HE1 HIS 94 20.113 1.090 4.943 766 HE2 HIS 94 HE2 HIS 94 20.234 0.070 2.655 767 H HIS 95 H HIS 95 14.509 4.775 3.866 768 HA HIS 95 HA HIS 95 13.263 6.414 1.878 769 HB2 HIS 95 2HB HIS 95 12.101 7.477 3.703 770 HB3 HIS 95 3HB HIS 95 12.170 5.750 4.026 771 HD1 HIS 95 HD1 HIS 95 13.910 4.992 5.926 772 HD2 HIS 95 HD2 HIS 95 13.214 9.082 5.630 773 HE1 HIS 95 HE1 HIS 95 14.766 5.979 8.065 774 HE2 HIS 95 HE2 HIS 95 14.189 8.424 7.931 775 H HIS 96 H HIS 96 16.151 6.631 3.659 776 HA HIS 96 HA HIS 96 16.715 9.270 2.467 777 HB2 HIS 96 2HB HIS 96 16.419 9.533 4.911 778 HB3 HIS 96 3HB HIS 96 17.623 8.285 5.193 779 HD1 HIS 96 HD1 HIS 96 20.111 8.955 4.151 780 HD2 HIS 96 HD2 HIS 96 17.438 12.040 4.946 781 HE1 HIS 96 HE1 HIS 96 21.505 11.032 4.298 782 HE2 HIS 96 HE2 HIS 96 19.898 12.842 4.966 783 H HIS 97 H HIS 97 18.461 9.195 1.149 784 HA HIS 97 HA HIS 97 19.713 6.813 0.462 785 HB2 HIS 97 2HB HIS 97 20.741 9.633 0.055 786 HB3 HIS 97 3HB HIS 97 21.336 8.205 -0.786 787 HD1 HIS 97 HD1 HIS 97 19.085 10.909 -1.249 788 HD2 HIS 97 HD2 HIS 97 19.025 6.875 -2.233 789 HE1 HIS 97 HE1 HIS 97 17.363 10.684 -3.054 790 HE2 HIS 97 HE2 HIS 97 17.216 8.219 -3.502 791 H HIS 98 H HIS 98 21.434 5.691 1.156 792 HA HIS 98 HA HIS 98 22.489 6.155 3.724 793 HB2 HIS 98 2HB HIS 98 24.097 4.268 3.134 794 HB3 HIS 98 3HB HIS 98 22.380 3.904 3.035 795 HD1 HIS 98 HD1 HIS 98 25.234 4.849 0.702 796 HD2 HIS 98 HD2 HIS 98 21.650 2.748 0.685 797 HE1 HIS 98 HE1 HIS 98 25.107 3.756 -1.552 798 HE2 HIS 98 HE2 HIS 98 23.009 2.375 -1.489 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 7.976 35.632 -29.717 2 H2 GLY 1 2H GLY 1 6.591 34.686 -29.947 3 H3 GLY 1 3H GLY 1 7.777 34.754 -31.147 4 HA2 GLY 1 2HA GLY 1 7.906 32.670 -29.930 5 HA3 GLY 1 3HA GLY 1 9.362 33.634 -29.752 6 H ASP 2 H ASP 2 6.684 32.181 -28.128 7 HA ASP 2 HA ASP 2 7.080 33.579 -25.630 8 HB2 ASP 2 2HB ASP 2 5.375 31.925 -24.783 9 HB3 ASP 2 3HB ASP 2 4.845 32.918 -26.138 10 H ARG 3 H ARG 3 7.039 31.910 -23.611 11 HA ARG 3 HA ARG 3 9.336 30.078 -23.930 12 HB2 ARG 3 2HB ARG 3 8.943 32.028 -21.640 13 HB3 ARG 3 3HB ARG 3 10.265 30.880 -21.800 14 HG2 ARG 3 2HG ARG 3 9.720 33.155 -23.708 15 HG3 ARG 3 3HG ARG 3 10.893 33.200 -22.391 16 HD2 ARG 3 2HD ARG 3 12.244 31.538 -23.410 17 HD3 ARG 3 3HD ARG 3 10.982 31.116 -24.568 18 HE ARG 3 HE ARG 3 11.399 33.613 -25.266 19 HH11 ARG 3 1HH1 ARG 3 13.788 31.295 -24.377 20 HH12 ARG 3 2HH1 ARG 3 14.962 31.939 -25.470 21 HH21 ARG 3 1HH2 ARG 3 12.905 34.419 -26.648 22 HH22 ARG 3 2HH2 ARG 3 14.464 33.675 -26.755 23 H ARG 4 H ARG 4 9.618 28.801 -21.735 24 HA ARG 4 HA ARG 4 8.850 27.120 -20.425 25 HB2 ARG 4 2HB ARG 4 6.495 28.991 -20.140 26 HB3 ARG 4 3HB ARG 4 6.560 27.445 -19.314 27 HG2 ARG 4 2HG ARG 4 7.240 29.117 -17.770 28 HG3 ARG 4 3HG ARG 4 8.679 28.202 -18.220 29 HD2 ARG 4 2HD ARG 4 9.398 29.959 -19.698 30 HD3 ARG 4 3HD ARG 4 7.889 30.838 -19.459 31 HE ARG 4 HE ARG 4 9.025 30.548 -16.956 32 HH11 ARG 4 1HH1 ARG 4 9.924 32.000 -19.947 33 HH12 ARG 4 2HH1 ARG 4 10.801 33.281 -19.193 34 HH21 ARG 4 1HH2 ARG 4 10.154 32.182 -16.000 35 HH22 ARG 4 2HH2 ARG 4 10.914 33.394 -16.971 36 H VAL 5 H VAL 5 8.866 25.779 -22.346 37 HA VAL 5 HA VAL 5 6.327 25.233 -23.651 38 HB VAL 5 HB VAL 5 7.574 23.598 -24.998 39 HG11 VAL 5 1HG1 VAL 5 7.527 25.929 -25.719 40 HG12 VAL 5 2HG1 VAL 5 9.057 25.168 -26.152 41 HG13 VAL 5 3HG1 VAL 5 8.978 26.264 -24.774 42 HG21 VAL 5 3HG2 VAL 5 9.942 24.372 -23.283 43 HG22 VAL 5 1HG2 VAL 5 10.018 23.382 -24.742 44 HG23 VAL 5 2HG2 VAL 5 9.149 22.796 -23.324 45 H ARG 6 H ARG 6 5.414 23.082 -23.795 46 HA ARG 6 HA ARG 6 4.455 21.239 -22.877 47 HB2 ARG 6 2HB ARG 6 7.200 20.869 -21.646 48 HB3 ARG 6 3HB ARG 6 5.940 19.642 -21.690 49 HG2 ARG 6 2HG ARG 6 6.007 19.698 -24.157 50 HG3 ARG 6 3HG ARG 6 7.329 20.865 -24.076 51 HD2 ARG 6 2HD ARG 6 8.687 19.215 -22.844 52 HD3 ARG 6 3HD ARG 6 7.364 18.053 -22.964 53 HE ARG 6 HE ARG 6 8.463 19.139 -25.446 54 HH11 ARG 6 1HH1 ARG 6 8.122 16.470 -23.296 55 HH12 ARG 6 2HH1 ARG 6 8.793 15.339 -24.420 56 HH21 ARG 6 1HH2 ARG 6 9.270 17.669 -26.899 57 HH22 ARG 6 2HH2 ARG 6 9.411 16.004 -26.444 58 H LEU 7 H LEU 7 4.445 23.820 -21.369 59 HA LEU 7 HA LEU 7 4.535 23.236 -18.574 60 HB2 LEU 7 2HB LEU 7 4.867 25.497 -19.580 61 HB3 LEU 7 3HB LEU 7 3.165 25.529 -19.998 62 HG LEU 7 HG LEU 7 2.600 25.419 -17.578 63 HD11 LEU 7 1HD1 LEU 7 4.351 25.834 -15.919 64 HD12 LEU 7 2HD1 LEU 7 5.577 25.717 -17.182 65 HD13 LEU 7 3HD1 LEU 7 4.605 24.306 -16.763 66 HD21 LEU 7 3HD2 LEU 7 2.690 27.570 -18.722 67 HD22 LEU 7 1HD2 LEU 7 4.415 27.703 -18.367 68 HD23 LEU 7 2HD2 LEU 7 3.237 27.723 -17.053 69 H ILE 8 H ILE 8 2.215 22.574 -20.972 70 HA ILE 8 HA ILE 8 -0.032 22.485 -19.090 71 HB ILE 8 HB ILE 8 -0.351 23.517 -21.332 72 HG12 ILE 8 2HG1 ILE 8 -2.215 22.306 -19.971 73 HG13 ILE 8 3HG1 ILE 8 -2.542 22.765 -21.635 74 HG21 ILE 8 1HG2 ILE 8 0.068 20.717 -22.375 75 HG22 ILE 8 2HG2 ILE 8 1.093 22.123 -22.669 76 HG23 ILE 8 3HG2 ILE 8 -0.546 22.074 -23.322 77 HD11 ILE 8 3HD1 ILE 8 -1.801 20.008 -20.675 78 HD12 ILE 8 1HD1 ILE 8 -2.125 20.463 -22.349 79 HD13 ILE 8 2HD1 ILE 8 -3.408 20.559 -21.143 80 H ARG 9 H ARG 9 -1.029 20.636 -18.438 81 HA ARG 9 HA ARG 9 -0.499 18.075 -19.620 82 HB2 ARG 9 2HB ARG 9 0.358 17.088 -17.421 83 HB3 ARG 9 3HB ARG 9 1.490 18.043 -18.362 84 HG2 ARG 9 2HG ARG 9 1.820 18.646 -16.106 85 HG3 ARG 9 3HG ARG 9 0.951 19.987 -16.848 86 HD2 ARG 9 2HD ARG 9 0.087 19.448 -14.615 87 HD3 ARG 9 3HD ARG 9 -1.133 19.214 -15.864 88 HE ARG 9 HE ARG 9 -0.055 16.746 -15.582 89 HH11 ARG 9 1HH1 ARG 9 -1.403 19.002 -13.359 90 HH12 ARG 9 2HH1 ARG 9 -1.926 17.776 -12.259 91 HH21 ARG 9 1HH2 ARG 9 -0.751 15.184 -14.191 92 HH22 ARG 9 2HH2 ARG 9 -1.546 15.633 -12.717 93 H THR 10 H THR 10 -1.831 16.345 -18.692 94 HA THR 10 HA THR 10 -3.929 17.132 -16.821 95 HB THR 10 HB THR 10 -4.650 16.379 -19.672 96 HG1 THR 10 HG1 THR 10 -5.426 18.803 -18.460 97 HG21 THR 10 3HG2 THR 10 -6.423 17.055 -17.314 98 HG22 THR 10 1HG2 THR 10 -6.257 15.471 -18.075 99 HG23 THR 10 2HG2 THR 10 -6.974 16.811 -18.972 100 H ARG 11 H ARG 11 -4.992 15.394 -15.866 101 HA ARG 11 HA ARG 11 -4.280 12.704 -16.854 102 HB2 ARG 11 2HB ARG 11 -4.480 11.923 -14.463 103 HB3 ARG 11 3HB ARG 11 -3.101 12.942 -14.824 104 HG2 ARG 11 2HG ARG 11 -3.839 13.708 -12.757 105 HG3 ARG 11 3HG ARG 11 -4.504 14.874 -13.895 106 HD2 ARG 11 2HD ARG 11 -6.687 13.949 -13.711 107 HD3 ARG 11 3HD ARG 11 -6.087 12.517 -12.871 108 HE ARG 11 HE ARG 11 -5.416 14.724 -11.322 109 HH11 ARG 11 1HH1 ARG 11 -8.336 13.278 -12.444 110 HH12 ARG 11 2HH1 ARG 11 -9.207 13.678 -11.008 111 HH21 ARG 11 1HH2 ARG 11 -6.539 15.237 -9.502 112 HH22 ARG 11 2HH2 ARG 11 -8.209 14.795 -9.367 113 H GLY 12 H GLY 12 -6.845 14.819 -15.959 114 HA2 GLY 12 2HA GLY 12 -9.113 14.591 -16.285 115 HA3 GLY 12 3HA GLY 12 -8.806 13.023 -17.010 116 H GLY 13 H GLY 13 -9.147 11.182 -15.810 117 HA2 GLY 13 2HA GLY 13 -9.490 9.888 -13.885 118 HA3 GLY 13 3HA GLY 13 -9.535 11.354 -12.922 119 H ASN 14 H ASN 14 -11.365 8.845 -14.105 120 HA ASN 14 HA ASN 14 -13.846 10.151 -13.300 121 HB2 ASN 14 2HB ASN 14 -13.546 10.441 -15.814 122 HB3 ASN 14 3HB ASN 14 -13.686 8.693 -15.952 123 HD21 ASN 14 1HD2 ASN 14 -15.355 11.658 -15.274 124 HD22 ASN 14 2HD2 ASN 14 -16.956 11.005 -15.351 125 H THR 15 H THR 15 -15.705 8.374 -13.409 126 HA THR 15 HA THR 15 -14.959 6.235 -11.723 127 HB THR 15 HB THR 15 -17.500 6.466 -13.366 128 HG1 THR 15 HG1 THR 15 -18.224 7.792 -11.852 129 HG21 THR 15 3HG2 THR 15 -17.193 4.215 -12.473 130 HG22 THR 15 1HG2 THR 15 -18.478 5.041 -11.595 131 HG23 THR 15 2HG2 THR 15 -16.882 4.871 -10.866 132 H LYS 16 H LYS 16 -13.685 4.602 -12.356 133 HA LYS 16 HA LYS 16 -14.210 3.297 -14.954 134 HB2 LYS 16 2HB LYS 16 -11.536 3.754 -13.605 135 HB3 LYS 16 3HB LYS 16 -11.769 2.771 -15.046 136 HG2 LYS 16 2HG LYS 16 -12.299 5.735 -14.807 137 HG3 LYS 16 3HG LYS 16 -10.931 4.980 -15.628 138 HD2 LYS 16 2HD LYS 16 -13.846 4.693 -16.386 139 HD3 LYS 16 3HD LYS 16 -12.648 5.677 -17.228 140 HE2 LYS 16 2HE LYS 16 -11.441 3.750 -17.936 141 HE3 LYS 16 3HE LYS 16 -12.354 2.696 -16.859 142 HZ1 LYS 16 3HZ LYS 16 -13.421 4.110 -19.239 143 HZ2 LYS 16 1HZ LYS 16 -14.340 3.168 -18.176 144 HZ3 LYS 16 2HZ LYS 16 -13.123 2.453 -19.105 145 H VAL 17 H VAL 17 -12.989 1.059 -14.971 146 HA VAL 17 HA VAL 17 -14.160 -0.622 -13.001 147 HB VAL 17 HB VAL 17 -13.713 -1.349 -15.325 148 HG11 VAL 17 1HG1 VAL 17 -11.445 -1.985 -16.016 149 HG12 VAL 17 2HG1 VAL 17 -10.804 -1.328 -14.510 150 HG13 VAL 17 3HG1 VAL 17 -11.571 -0.258 -15.683 151 HG21 VAL 17 3HG2 VAL 17 -14.030 -3.035 -13.570 152 HG22 VAL 17 1HG2 VAL 17 -12.292 -3.057 -13.273 153 HG23 VAL 17 2HG2 VAL 17 -12.930 -3.607 -14.823 154 H ARG 18 H ARG 18 -12.944 -2.128 -11.583 155 HA ARG 18 HA ARG 18 -11.429 -0.925 -9.658 156 HB2 ARG 18 2HB ARG 18 -10.727 -3.202 -8.962 157 HB3 ARG 18 3HB ARG 18 -12.447 -3.082 -9.307 158 HG2 ARG 18 2HG ARG 18 -12.108 -4.129 -11.485 159 HG3 ARG 18 3HG ARG 18 -10.370 -4.203 -11.190 160 HD2 ARG 18 2HD ARG 18 -11.495 -6.360 -10.780 161 HD3 ARG 18 3HD ARG 18 -10.704 -5.722 -9.342 162 HE ARG 18 HE ARG 18 -12.954 -4.985 -8.616 163 HH11 ARG 18 1HH1 ARG 18 -12.736 -7.463 -11.003 164 HH12 ARG 18 2HH1 ARG 18 -14.218 -8.203 -10.510 165 HH21 ARG 18 1HH2 ARG 18 -14.850 -5.932 -8.020 166 HH22 ARG 18 2HH2 ARG 18 -15.407 -7.342 -8.851 167 H LEU 19 H LEU 19 -10.190 -2.317 -12.646 168 HA LEU 19 HA LEU 19 -7.666 -0.994 -12.299 169 HB2 LEU 19 2HB LEU 19 -7.371 -3.052 -10.929 170 HB3 LEU 19 3HB LEU 19 -7.687 -4.026 -12.349 171 HG LEU 19 HG LEU 19 -5.401 -2.068 -12.362 172 HD11 LEU 19 1HD1 LEU 19 -5.131 -3.366 -10.305 173 HD12 LEU 19 2HD1 LEU 19 -3.914 -3.801 -11.500 174 HD13 LEU 19 3HD1 LEU 19 -5.292 -4.865 -11.221 175 HD21 LEU 19 3HD2 LEU 19 -4.417 -3.709 -13.899 176 HD22 LEU 19 1HD2 LEU 19 -5.983 -3.144 -14.474 177 HD23 LEU 19 2HD2 LEU 19 -5.841 -4.734 -13.724 178 H ALA 20 H ALA 20 -7.594 -0.075 -14.274 179 HA ALA 20 HA ALA 20 -8.242 -1.727 -16.629 180 HB1 ALA 20 3HB ALA 20 -8.501 0.361 -17.857 181 HB2 ALA 20 1HB ALA 20 -8.005 1.278 -16.435 182 HB3 ALA 20 2HB ALA 20 -9.510 0.360 -16.412 183 H SER 21 H SER 21 -6.166 -2.809 -16.427 184 HA SER 21 HA SER 21 -4.140 -3.302 -17.322 185 HB2 SER 21 2HB SER 21 -4.562 -0.800 -18.973 186 HB3 SER 21 3HB SER 21 -3.390 -2.073 -19.307 187 HG SER 21 HG SER 21 -4.967 -2.869 -20.446 188 H ASP 22 H ASP 22 -4.421 -1.089 -15.096 189 HA ASP 22 HA ASP 22 -1.530 -0.602 -15.013 190 HB2 ASP 22 2HB ASP 22 -2.851 1.446 -15.890 191 HB3 ASP 22 3HB ASP 22 -3.448 1.599 -14.242 192 H THR 23 H THR 23 -0.679 -0.996 -13.019 193 HA THR 23 HA THR 23 -2.511 -1.977 -10.959 194 HB THR 23 HB THR 23 0.517 -2.100 -11.016 195 HG1 THR 23 HG1 THR 23 0.031 -3.377 -12.669 196 HG21 THR 23 3HG2 THR 23 -1.468 -3.776 -9.465 197 HG22 THR 23 1HG2 THR 23 -0.516 -2.452 -8.788 198 HG23 THR 23 2HG2 THR 23 0.293 -3.891 -9.405 199 H ARG 24 H ARG 24 -3.191 -0.602 -9.424 200 HA ARG 24 HA ARG 24 -1.320 1.419 -8.339 201 HB2 ARG 24 2HB ARG 24 -4.279 1.829 -8.858 202 HB3 ARG 24 3HB ARG 24 -3.172 3.016 -8.181 203 HG2 ARG 24 2HG ARG 24 -2.838 1.846 -10.939 204 HG3 ARG 24 3HG ARG 24 -3.771 3.306 -10.615 205 HD2 ARG 24 2HD ARG 24 -1.804 4.440 -9.790 206 HD3 ARG 24 3HD ARG 24 -0.856 2.955 -9.898 207 HE ARG 24 HE ARG 24 -1.341 3.107 -12.371 208 HH11 ARG 24 1HH1 ARG 24 -1.077 5.926 -10.398 209 HH12 ARG 24 2HH1 ARG 24 -0.612 6.927 -11.725 210 HH21 ARG 24 1HH2 ARG 24 -0.766 4.402 -14.044 211 HH22 ARG 24 2HH2 ARG 24 -0.433 6.077 -13.762 212 H ILE 25 H ILE 25 -2.008 2.249 -6.160 213 HA ILE 25 HA ILE 25 -3.867 0.626 -4.631 214 HB ILE 25 HB ILE 25 -1.818 -0.728 -4.494 215 HG12 ILE 25 2HG1 ILE 25 -2.421 0.677 -1.871 216 HG13 ILE 25 3HG1 ILE 25 -3.376 -0.632 -2.558 217 HG21 ILE 25 1HG2 ILE 25 -0.173 1.044 -4.840 218 HG22 ILE 25 2HG2 ILE 25 0.194 0.123 -3.382 219 HG23 ILE 25 3HG2 ILE 25 -0.549 1.720 -3.255 220 HD11 ILE 25 3HD1 ILE 25 -1.914 -1.439 -0.807 221 HD12 ILE 25 1HD1 ILE 25 -0.506 -0.813 -1.667 222 HD13 ILE 25 2HD1 ILE 25 -1.455 -2.127 -2.366 223 H ASN 26 H ASN 26 -4.724 1.734 -2.909 224 HA ASN 26 HA ASN 26 -3.992 4.507 -2.553 225 HB2 ASN 26 2HB ASN 26 -6.068 2.777 -1.185 226 HB3 ASN 26 3HB ASN 26 -5.856 4.497 -0.873 227 HD21 ASN 26 1HD2 ASN 26 -8.128 3.006 -1.987 228 HD22 ASN 26 2HD2 ASN 26 -8.457 3.760 -3.505 229 H VAL 27 H VAL 27 -2.149 4.852 -1.492 230 HA VAL 27 HA VAL 27 -1.291 3.175 0.707 231 HB VAL 27 HB VAL 27 0.012 5.636 -0.486 232 HG11 VAL 27 1HG1 VAL 27 0.793 5.222 1.780 233 HG12 VAL 27 2HG1 VAL 27 2.057 4.823 0.615 234 HG13 VAL 27 3HG1 VAL 27 1.123 3.536 1.381 235 HG21 VAL 27 3HG2 VAL 27 1.453 4.070 -1.682 236 HG22 VAL 27 1HG2 VAL 27 -0.238 3.804 -2.107 237 HG23 VAL 27 2HG2 VAL 27 0.574 2.706 -0.989 238 H VAL 28 H VAL 28 -1.831 3.535 2.753 239 HA VAL 28 HA VAL 28 -2.682 6.200 3.634 240 HB VAL 28 HB VAL 28 -2.786 3.566 5.134 241 HG11 VAL 28 1HG1 VAL 28 -4.309 4.746 6.663 242 HG12 VAL 28 2HG1 VAL 28 -4.052 6.242 5.761 243 HG13 VAL 28 3HG1 VAL 28 -2.710 5.492 6.631 244 HG21 VAL 28 3HG2 VAL 28 -4.235 3.518 3.167 245 HG22 VAL 28 1HG2 VAL 28 -4.980 5.038 3.659 246 HG23 VAL 28 2HG2 VAL 28 -5.196 3.590 4.644 247 H ASP 29 H ASP 29 -1.089 7.482 4.329 248 HA ASP 29 HA ASP 29 1.410 6.478 5.356 249 HB2 ASP 29 2HB ASP 29 1.182 8.548 3.966 250 HB3 ASP 29 3HB ASP 29 0.340 9.315 5.305 251 HA PRO 30 HA PRO 30 -0.376 6.200 9.487 252 HB2 PRO 30 2HB PRO 30 1.750 5.086 10.737 253 HB3 PRO 30 3HB PRO 30 0.706 4.176 9.640 254 HG2 PRO 30 2HG PRO 30 3.384 5.416 9.108 255 HG3 PRO 30 3HG PRO 30 2.772 3.820 8.625 256 HD2 PRO 30 2HD PRO 30 2.831 5.965 6.938 257 HD3 PRO 30 3HD PRO 30 1.622 4.671 6.817 258 H GLU 31 H GLU 31 2.477 8.024 8.665 259 HA GLU 31 HA GLU 31 2.839 9.077 11.349 260 HB2 GLU 31 2HB GLU 31 4.241 9.816 8.770 261 HB3 GLU 31 3HB GLU 31 4.728 10.315 10.384 262 HG2 GLU 31 2HG GLU 31 4.679 7.479 9.351 263 HG3 GLU 31 3HG GLU 31 6.111 8.488 9.539 264 H THR 32 H THR 32 1.475 10.141 8.293 265 HA THR 32 HA THR 32 0.758 12.744 9.519 266 HB THR 32 HB THR 32 0.606 13.655 7.220 267 HG1 THR 32 HG1 THR 32 1.698 11.123 6.467 268 HG21 THR 32 3HG2 THR 32 3.001 13.766 6.767 269 HG22 THR 32 1HG2 THR 32 3.281 12.376 7.815 270 HG23 THR 32 2HG2 THR 32 2.699 13.895 8.499 271 H GLY 33 H GLY 33 -0.464 9.885 7.996 272 HA2 GLY 33 2HA GLY 33 -2.630 9.073 8.119 273 HA3 GLY 33 3HA GLY 33 -3.155 10.624 8.751 274 H LYS 34 H LYS 34 -1.385 10.488 5.726 275 HA LYS 34 HA LYS 34 -3.735 11.480 4.317 276 HB2 LYS 34 2HB LYS 34 -2.268 11.951 2.469 277 HB3 LYS 34 3HB LYS 34 -1.483 12.494 3.946 278 HG2 LYS 34 2HG LYS 34 0.020 10.661 3.940 279 HG3 LYS 34 3HG LYS 34 -0.898 9.817 2.693 280 HD2 LYS 34 2HD LYS 34 -0.295 11.575 1.080 281 HD3 LYS 34 3HD LYS 34 0.639 12.398 2.331 282 HE2 LYS 34 2HE LYS 34 2.114 10.458 2.522 283 HE3 LYS 34 3HE LYS 34 1.159 9.596 1.320 284 HZ1 LYS 34 3HZ LYS 34 1.856 11.066 -0.362 285 HZ2 LYS 34 1HZ LYS 34 3.251 10.650 0.498 286 HZ3 LYS 34 2HZ LYS 34 2.524 12.158 0.742 287 H VAL 35 H VAL 35 -4.566 10.556 2.384 288 HA VAL 35 HA VAL 35 -3.841 7.731 1.872 289 HB VAL 35 HB VAL 35 -6.518 9.065 1.353 290 HG11 VAL 35 1HG1 VAL 35 -5.666 6.185 0.999 291 HG12 VAL 35 2HG1 VAL 35 -6.029 7.333 -0.291 292 HG13 VAL 35 3HG1 VAL 35 -7.306 6.802 0.803 293 HG21 VAL 35 3HG2 VAL 35 -7.381 7.605 3.138 294 HG22 VAL 35 1HG2 VAL 35 -6.163 8.729 3.742 295 HG23 VAL 35 2HG2 VAL 35 -5.742 7.038 3.462 296 H GLU 36 H GLU 36 -2.651 7.585 0.043 297 HA GLU 36 HA GLU 36 -3.281 9.388 -2.211 298 HB2 GLU 36 2HB GLU 36 -1.422 10.384 -1.004 299 HB3 GLU 36 3HB GLU 36 -0.538 8.866 -1.047 300 HG2 GLU 36 2HG GLU 36 -0.187 9.029 -3.385 301 HG3 GLU 36 3HG GLU 36 -1.335 10.360 -3.535 302 H ILE 37 H ILE 37 -3.152 8.506 -4.217 303 HA ILE 37 HA ILE 37 -2.973 5.643 -4.426 304 HB ILE 37 HB ILE 37 -3.325 7.713 -6.609 305 HG12 ILE 37 2HG1 ILE 37 -5.379 6.041 -5.121 306 HG13 ILE 37 3HG1 ILE 37 -5.126 7.770 -4.913 307 HG21 ILE 37 1HG2 ILE 37 -2.503 5.608 -7.511 308 HG22 ILE 37 2HG2 ILE 37 -4.199 5.823 -7.946 309 HG23 ILE 37 3HG2 ILE 37 -3.756 4.718 -6.644 310 HD11 ILE 37 3HD1 ILE 37 -7.063 7.341 -6.284 311 HD12 ILE 37 1HD1 ILE 37 -6.089 6.401 -7.412 312 HD13 ILE 37 2HD1 ILE 37 -5.806 8.134 -7.236 313 H ALA 38 H ALA 38 -1.228 4.481 -4.853 314 HA ALA 38 HA ALA 38 1.097 5.732 -6.178 315 HB1 ALA 38 3HB ALA 38 1.511 5.157 -3.826 316 HB2 ALA 38 1HB ALA 38 2.514 4.196 -4.915 317 HB3 ALA 38 2HB ALA 38 1.088 3.478 -4.163 318 H GLU 39 H GLU 39 2.553 4.060 -7.261 319 HA GLU 39 HA GLU 39 0.919 2.111 -8.757 320 HB2 GLU 39 2HB GLU 39 3.661 3.203 -9.461 321 HB3 GLU 39 3HB GLU 39 2.657 2.163 -10.466 322 HG2 GLU 39 2HG GLU 39 0.982 3.938 -10.630 323 HG3 GLU 39 3HG GLU 39 1.993 4.986 -9.640 324 H ILE 40 H ILE 40 1.238 -0.032 -8.435 325 HA ILE 40 HA ILE 40 3.273 -0.865 -6.539 326 HB ILE 40 HB ILE 40 1.223 -2.552 -7.991 327 HG12 ILE 40 2HG1 ILE 40 1.188 -1.380 -5.193 328 HG13 ILE 40 3HG1 ILE 40 0.160 -0.887 -6.534 329 HG21 ILE 40 1HG2 ILE 40 3.137 -3.869 -7.241 330 HG22 ILE 40 2HG2 ILE 40 1.703 -4.251 -6.289 331 HG23 ILE 40 3HG2 ILE 40 2.962 -3.219 -5.610 332 HD11 ILE 40 3HD1 ILE 40 -0.858 -3.132 -6.543 333 HD12 ILE 40 1HD1 ILE 40 -1.072 -2.287 -5.010 334 HD13 ILE 40 2HD1 ILE 40 0.135 -3.562 -5.149 335 H ARG 41 H ARG 41 5.224 -1.552 -7.079 336 HA ARG 41 HA ARG 41 5.952 -2.224 -9.789 337 HB2 ARG 41 2HB ARG 41 7.472 -2.211 -7.173 338 HB3 ARG 41 3HB ARG 41 8.202 -2.733 -8.684 339 HG2 ARG 41 2HG ARG 41 8.018 -0.560 -9.628 340 HG3 ARG 41 3HG ARG 41 6.985 -0.004 -8.308 341 HD2 ARG 41 2HD ARG 41 9.557 0.584 -8.354 342 HD3 ARG 41 3HD ARG 41 8.740 0.208 -6.837 343 HE ARG 41 HE ARG 41 9.653 -2.075 -7.074 344 HH11 ARG 41 1HH1 ARG 41 11.193 0.473 -8.805 345 HH12 ARG 41 2HH1 ARG 41 12.720 -0.338 -8.835 346 HH21 ARG 41 1HH2 ARG 41 11.592 -3.083 -7.105 347 HH22 ARG 41 2HH2 ARG 41 12.937 -2.344 -7.910 348 H ASN 42 H ASN 42 5.960 -3.990 -6.678 349 HA ASN 42 HA ASN 42 5.462 -6.504 -8.101 350 HB2 ASN 42 2HB ASN 42 7.770 -6.143 -6.164 351 HB3 ASN 42 3HB ASN 42 7.260 -7.675 -6.866 352 HD21 ASN 42 1HD2 ASN 42 8.929 -4.703 -7.405 353 HD22 ASN 42 2HD2 ASN 42 9.561 -5.106 -8.958 354 H VAL 43 H VAL 43 4.588 -8.174 -6.792 355 HA VAL 43 HA VAL 43 3.669 -7.369 -4.101 356 HB VAL 43 HB VAL 43 2.203 -9.190 -6.037 357 HG11 VAL 43 1HG1 VAL 43 0.361 -9.079 -4.427 358 HG12 VAL 43 2HG1 VAL 43 1.347 -8.083 -3.355 359 HG13 VAL 43 3HG1 VAL 43 1.814 -9.752 -3.687 360 HG21 VAL 43 3HG2 VAL 43 2.128 -6.898 -6.844 361 HG22 VAL 43 1HG2 VAL 43 1.595 -6.331 -5.259 362 HG23 VAL 43 2HG2 VAL 43 0.548 -7.375 -6.223 363 H VAL 44 H VAL 44 5.368 -8.377 -3.028 364 HA VAL 44 HA VAL 44 5.376 -11.258 -2.879 365 HB VAL 44 HB VAL 44 6.674 -11.004 -4.899 366 HG11 VAL 44 1HG1 VAL 44 8.472 -9.135 -3.343 367 HG12 VAL 44 2HG1 VAL 44 7.352 -8.667 -4.621 368 HG13 VAL 44 3HG1 VAL 44 8.737 -9.691 -4.996 369 HG21 VAL 44 3HG2 VAL 44 7.415 -12.733 -3.334 370 HG22 VAL 44 1HG2 VAL 44 8.511 -11.580 -2.570 371 HG23 VAL 44 2HG2 VAL 44 8.771 -12.070 -4.245 372 H GLU 45 H GLU 45 6.300 -12.026 -1.009 373 HA GLU 45 HA GLU 45 8.122 -10.341 0.524 374 HB2 GLU 45 2HB GLU 45 6.813 -10.659 2.623 375 HB3 GLU 45 3HB GLU 45 6.014 -9.641 1.433 376 HG2 GLU 45 2HG GLU 45 4.501 -11.389 0.838 377 HG3 GLU 45 3HG GLU 45 5.395 -12.568 1.796 378 H ASN 46 H ASN 46 9.698 -11.470 1.467 379 HA ASN 46 HA ASN 46 10.918 -13.109 2.430 380 HB2 ASN 46 2HB ASN 46 8.212 -14.294 3.069 381 HB3 ASN 46 3HB ASN 46 9.735 -14.771 3.815 382 HD21 ASN 46 1HD2 ASN 46 7.321 -13.609 5.014 383 HD22 ASN 46 2HD2 ASN 46 7.849 -12.177 5.821 384 H THR 47 H THR 47 9.724 -13.568 -0.459 385 HA THR 47 HA THR 47 9.993 -16.468 -0.670 386 HB THR 47 HB THR 47 9.425 -16.245 -2.996 387 HG1 THR 47 HG1 THR 47 9.197 -14.138 -3.929 388 HG21 THR 47 3HG2 THR 47 7.542 -16.075 -1.448 389 HG22 THR 47 1HG2 THR 47 7.264 -15.074 -2.875 390 HG23 THR 47 2HG2 THR 47 7.757 -14.328 -1.355 391 H ALA 48 H ALA 48 11.252 -16.888 -3.037 392 HA ALA 48 HA ALA 48 14.013 -16.592 -2.401 393 HB1 ALA 48 3HB ALA 48 12.755 -17.508 -4.990 394 HB2 ALA 48 1HB ALA 48 13.129 -18.540 -3.610 395 HB3 ALA 48 2HB ALA 48 14.432 -17.753 -4.502 396 H ASN 49 H ASN 49 11.908 -15.032 -4.813 397 HA ASN 49 HA ASN 49 14.054 -13.076 -5.347 398 HB2 ASN 49 2HB ASN 49 12.183 -14.403 -7.310 399 HB3 ASN 49 3HB ASN 49 13.052 -12.918 -7.692 400 HD21 ASN 49 1HD2 ASN 49 13.223 -15.631 -8.836 401 HD22 ASN 49 2HD2 ASN 49 14.894 -16.055 -8.721 402 HA PRO 50 HA PRO 50 10.821 -10.176 -4.166 403 HB2 PRO 50 2HB PRO 50 12.273 -7.916 -4.369 404 HB3 PRO 50 3HB PRO 50 12.552 -9.084 -3.071 405 HG2 PRO 50 2HG PRO 50 14.054 -8.726 -5.649 406 HG3 PRO 50 3HG PRO 50 14.692 -8.943 -4.007 407 HD2 PRO 50 2HD PRO 50 14.502 -10.979 -5.810 408 HD3 PRO 50 3HD PRO 50 14.378 -11.230 -4.056 409 H HIS 51 H HIS 51 10.426 -11.135 -6.719 410 HA HIS 51 HA HIS 51 9.732 -8.676 -8.201 411 HB2 HIS 51 2HB HIS 51 10.789 -11.234 -9.447 412 HB3 HIS 51 3HB HIS 51 10.213 -9.827 -10.333 413 HD1 HIS 51 HD1 HIS 51 13.243 -11.334 -9.248 414 HD2 HIS 51 HD2 HIS 51 11.892 -7.416 -9.584 415 HE1 HIS 51 HE1 HIS 51 15.308 -9.909 -9.245 416 HE2 HIS 51 HE2 HIS 51 14.478 -7.563 -9.606 417 H PHE 52 H PHE 52 8.228 -9.677 -10.233 418 HA PHE 52 HA PHE 52 5.872 -10.661 -9.008 419 HB2 PHE 52 2HB PHE 52 5.861 -9.343 -11.108 420 HB3 PHE 52 3HB PHE 52 6.610 -10.695 -11.948 421 HD1 PHE 52 HD1 PHE 52 3.544 -9.608 -10.174 422 HD2 PHE 52 HD2 PHE 52 5.298 -12.500 -12.769 423 HE1 PHE 52 HE1 PHE 52 1.314 -10.532 -10.655 424 HE2 PHE 52 HE2 PHE 52 3.071 -13.421 -13.253 425 HZ PHE 52 HZ PHE 52 1.075 -12.439 -12.197 426 H VAL 53 H VAL 53 6.578 -12.494 -7.851 427 HA VAL 53 HA VAL 53 7.161 -14.899 -9.455 428 HB VAL 53 HB VAL 53 8.800 -14.374 -7.684 429 HG11 VAL 53 1HG1 VAL 53 8.185 -14.580 -5.313 430 HG12 VAL 53 2HG1 VAL 53 6.491 -14.743 -5.771 431 HG13 VAL 53 3HG1 VAL 53 7.352 -13.240 -6.097 432 HG21 VAL 53 3HG2 VAL 53 7.187 -16.874 -7.136 433 HG22 VAL 53 1HG2 VAL 53 8.836 -16.580 -6.585 434 HG23 VAL 53 2HG2 VAL 53 8.493 -16.705 -8.310 435 H ARG 54 H ARG 54 5.984 -16.846 -9.023 436 HA ARG 54 HA ARG 54 3.228 -16.572 -8.817 437 HB2 ARG 54 2HB ARG 54 4.901 -19.027 -8.239 438 HB3 ARG 54 3HB ARG 54 3.166 -19.031 -8.538 439 HG2 ARG 54 2HG ARG 54 3.542 -18.159 -10.790 440 HG3 ARG 54 3HG ARG 54 5.280 -18.132 -10.493 441 HD2 ARG 54 2HD ARG 54 3.525 -20.589 -10.472 442 HD3 ARG 54 3HD ARG 54 4.588 -20.100 -11.790 443 HE ARG 54 HE ARG 54 6.154 -20.287 -9.504 444 HH11 ARG 54 1HH1 ARG 54 4.310 -22.348 -11.552 445 HH12 ARG 54 2HH1 ARG 54 5.244 -23.750 -11.168 446 HH21 ARG 54 1HH2 ARG 54 7.373 -22.062 -9.056 447 HH22 ARG 54 2HH2 ARG 54 6.972 -23.590 -9.765 448 H ARG 55 H ARG 55 1.740 -17.514 -7.175 449 HA ARG 55 HA ARG 55 0.821 -17.506 -5.076 450 HB2 ARG 55 2HB ARG 55 2.982 -18.703 -4.419 451 HB3 ARG 55 3HB ARG 55 3.597 -17.138 -3.923 452 HG2 ARG 55 2HG ARG 55 2.854 -18.168 -1.956 453 HG3 ARG 55 3HG ARG 55 1.594 -17.002 -2.360 454 HD2 ARG 55 2HD ARG 55 1.315 -19.793 -3.377 455 HD3 ARG 55 3HD ARG 55 1.031 -19.502 -1.666 456 HE ARG 55 HE ARG 55 -0.679 -17.851 -2.402 457 HH11 ARG 55 1HH1 ARG 55 0.261 -20.389 -4.549 458 HH12 ARG 55 2HH1 ARG 55 -1.297 -20.464 -5.301 459 HH21 ARG 55 1HH2 ARG 55 -2.676 -17.979 -3.404 460 HH22 ARG 55 2HH2 ARG 55 -2.910 -19.133 -4.672 461 H ASN 56 H ASN 56 1.936 -15.119 -6.715 462 HA ASN 56 HA ASN 56 2.234 -12.938 -4.891 463 HB2 ASN 56 2HB ASN 56 2.078 -11.558 -6.981 464 HB3 ASN 56 3HB ASN 56 3.293 -12.833 -7.052 465 HD21 ASN 56 1HD2 ASN 56 0.232 -11.736 -8.255 466 HD22 ASN 56 2HD2 ASN 56 0.115 -12.862 -9.556 467 H ILE 57 H ILE 57 -0.015 -13.948 -3.935 468 HA ILE 57 HA ILE 57 -2.367 -12.853 -5.225 469 HB ILE 57 HB ILE 57 -3.612 -13.825 -3.300 470 HG12 ILE 57 2HG1 ILE 57 -0.902 -14.908 -2.450 471 HG13 ILE 57 3HG1 ILE 57 -1.766 -13.620 -1.618 472 HG21 ILE 57 1HG2 ILE 57 -3.261 -15.111 -5.333 473 HG22 ILE 57 2HG2 ILE 57 -3.213 -16.171 -3.926 474 HG23 ILE 57 3HG2 ILE 57 -1.715 -15.695 -4.725 475 HD11 ILE 57 3HD1 ILE 57 -2.718 -16.455 -1.951 476 HD12 ILE 57 1HD1 ILE 57 -3.583 -15.165 -1.114 477 HD13 ILE 57 2HD1 ILE 57 -2.038 -15.744 -0.487 478 H ILE 58 H ILE 58 -2.921 -10.781 -4.996 479 HA ILE 58 HA ILE 58 -1.995 -9.145 -2.831 480 HB ILE 58 HB ILE 58 -4.143 -8.535 -4.878 481 HG12 ILE 58 2HG1 ILE 58 -1.189 -7.823 -4.867 482 HG13 ILE 58 3HG1 ILE 58 -1.942 -9.028 -5.908 483 HG21 ILE 58 1HG2 ILE 58 -3.731 -6.180 -4.296 484 HG22 ILE 58 2HG2 ILE 58 -2.593 -6.688 -3.048 485 HG23 ILE 58 3HG2 ILE 58 -4.301 -7.101 -2.904 486 HD11 ILE 58 3HD1 ILE 58 -2.488 -6.068 -5.935 487 HD12 ILE 58 1HD1 ILE 58 -3.265 -7.264 -6.971 488 HD13 ILE 58 2HD1 ILE 58 -1.533 -6.970 -7.112 489 H THR 59 H THR 59 -2.736 -9.735 -0.850 490 HA THR 59 HA THR 59 -5.618 -9.475 -0.365 491 HB THR 59 HB THR 59 -5.248 -11.893 -0.599 492 HG1 THR 59 HG1 THR 59 -5.829 -12.317 1.821 493 HG21 THR 59 3HG2 THR 59 -3.325 -11.581 1.718 494 HG22 THR 59 1HG2 THR 59 -2.888 -11.991 0.060 495 HG23 THR 59 2HG2 THR 59 -3.856 -13.110 1.018 496 H ARG 60 H ARG 60 -6.061 -9.511 2.075 497 HA ARG 60 HA ARG 60 -4.678 -7.344 3.218 498 HB2 ARG 60 2HB ARG 60 -6.998 -7.825 3.766 499 HB3 ARG 60 3HB ARG 60 -6.536 -9.352 4.509 500 HG2 ARG 60 2HG ARG 60 -5.256 -8.117 6.213 501 HG3 ARG 60 3HG ARG 60 -5.770 -6.599 5.480 502 HD2 ARG 60 2HD ARG 60 -8.096 -7.136 5.963 503 HD3 ARG 60 3HD ARG 60 -7.608 -8.686 6.650 504 HE ARG 60 HE ARG 60 -6.664 -6.149 7.804 505 HH11 ARG 60 1HH1 ARG 60 -8.262 -9.177 8.141 506 HH12 ARG 60 2HH1 ARG 60 -8.373 -9.049 9.861 507 HH21 ARG 60 1HH2 ARG 60 -6.814 -5.984 9.995 508 HH22 ARG 60 2HH2 ARG 60 -7.570 -7.247 10.906 509 H GLY 61 H GLY 61 -2.854 -7.229 4.378 510 HA2 GLY 61 2HA GLY 61 -1.486 -7.998 6.222 511 HA3 GLY 61 3HA GLY 61 -1.871 -9.651 5.772 512 H ALA 62 H ALA 62 -1.437 -8.898 2.869 513 HA ALA 62 HA ALA 62 1.377 -9.551 2.806 514 HB1 ALA 62 3HB ALA 62 -0.208 -10.610 1.262 515 HB2 ALA 62 1HB ALA 62 1.068 -9.755 0.395 516 HB3 ALA 62 2HB ALA 62 -0.541 -9.043 0.524 517 H VAL 63 H VAL 63 3.068 -8.295 2.068 518 HA VAL 63 HA VAL 63 2.513 -5.410 1.839 519 HB VAL 63 HB VAL 63 4.904 -5.052 2.275 520 HG11 VAL 63 1HG1 VAL 63 3.334 -5.108 4.145 521 HG12 VAL 63 2HG1 VAL 63 4.901 -5.756 4.629 522 HG13 VAL 63 3HG1 VAL 63 3.559 -6.852 4.300 523 HG21 VAL 63 3HG2 VAL 63 5.814 -7.098 1.297 524 HG22 VAL 63 1HG2 VAL 63 5.052 -8.062 2.565 525 HG23 VAL 63 2HG2 VAL 63 6.340 -6.927 2.972 526 H VAL 64 H VAL 64 2.873 -4.286 0.027 527 HA VAL 64 HA VAL 64 4.075 -5.681 -2.278 528 HB VAL 64 HB VAL 64 2.757 -4.224 -3.732 529 HG11 VAL 64 1HG1 VAL 64 1.778 -6.350 -3.026 530 HG12 VAL 64 2HG1 VAL 64 0.531 -5.125 -3.258 531 HG13 VAL 64 3HG1 VAL 64 1.047 -5.561 -1.628 532 HG21 VAL 64 3HG2 VAL 64 1.029 -2.730 -2.822 533 HG22 VAL 64 1HG2 VAL 64 2.647 -2.234 -2.323 534 HG23 VAL 64 2HG2 VAL 64 1.594 -3.077 -1.186 535 H GLU 65 H GLU 65 5.575 -4.635 -3.570 536 HA GLU 65 HA GLU 65 6.936 -2.333 -2.400 537 HB2 GLU 65 2HB GLU 65 8.294 -4.223 -3.176 538 HB3 GLU 65 3HB GLU 65 7.628 -4.059 -4.796 539 HG2 GLU 65 2HG GLU 65 8.647 -1.808 -4.948 540 HG3 GLU 65 3HG GLU 65 9.380 -2.065 -3.367 541 H THR 66 H THR 66 6.236 -0.352 -2.938 542 HA THR 66 HA THR 66 5.099 0.103 -5.638 543 HB THR 66 HB THR 66 3.715 1.861 -4.737 544 HG1 THR 66 HG1 THR 66 4.597 1.355 -2.101 545 HG21 THR 66 3HG2 THR 66 3.594 -0.562 -2.931 546 HG22 THR 66 1HG2 THR 66 2.793 -0.383 -4.493 547 HG23 THR 66 2HG2 THR 66 2.308 0.628 -3.132 548 H ASN 67 H ASN 67 5.204 2.535 -6.239 549 HA ASN 67 HA ASN 67 7.886 3.395 -6.413 550 HB2 ASN 67 2HB ASN 67 6.915 5.508 -7.312 551 HB3 ASN 67 3HB ASN 67 6.243 4.067 -8.068 552 HD21 ASN 67 1HD2 ASN 67 5.115 6.762 -7.839 553 HD22 ASN 67 2HD2 ASN 67 3.602 6.572 -7.028 554 H LEU 68 H LEU 68 5.338 4.143 -4.108 555 HA LEU 68 HA LEU 68 6.855 6.214 -2.763 556 HB2 LEU 68 2HB LEU 68 4.300 4.792 -1.982 557 HB3 LEU 68 3HB LEU 68 5.006 6.129 -1.094 558 HG LEU 68 HG LEU 68 3.926 6.251 -3.919 559 HD11 LEU 68 1HD1 LEU 68 2.205 7.706 -2.947 560 HD12 LEU 68 2HD1 LEU 68 2.869 7.413 -1.338 561 HD13 LEU 68 3HD1 LEU 68 2.159 6.084 -2.256 562 HD21 LEU 68 3HD2 LEU 68 5.088 8.445 -2.195 563 HD22 LEU 68 1HD2 LEU 68 4.315 8.667 -3.764 564 HD23 LEU 68 2HD2 LEU 68 5.824 7.763 -3.645 565 H GLY 69 H GLY 69 6.652 2.781 -2.606 566 HA2 GLY 69 2HA GLY 69 8.693 1.935 -1.334 567 HA3 GLY 69 3HA GLY 69 7.997 2.787 0.032 568 H ASN 70 H ASN 70 7.821 0.949 1.293 569 HA ASN 70 HA ASN 70 6.461 -1.417 0.314 570 HB2 ASN 70 2HB ASN 70 7.427 -0.805 3.117 571 HB3 ASN 70 3HB ASN 70 7.026 -2.390 2.458 572 HD21 ASN 70 1HD2 ASN 70 8.283 -1.942 -0.099 573 HD22 ASN 70 2HD2 ASN 70 9.987 -1.966 0.178 574 H VAL 71 H VAL 71 4.305 -1.656 0.364 575 HA VAL 71 HA VAL 71 2.752 -0.193 2.419 576 HB VAL 71 HB VAL 71 1.879 -0.762 -0.427 577 HG11 VAL 71 1HG1 VAL 71 0.537 0.835 1.761 578 HG12 VAL 71 2HG1 VAL 71 0.000 -0.716 1.117 579 HG13 VAL 71 3HG1 VAL 71 -0.017 0.716 0.091 580 HG21 VAL 71 3HG2 VAL 71 3.635 0.928 -0.381 581 HG22 VAL 71 1HG2 VAL 71 2.744 1.845 0.835 582 HG23 VAL 71 2HG2 VAL 71 2.083 1.657 -0.789 583 H ARG 72 H ARG 72 1.607 -1.506 3.741 584 HA ARG 72 HA ARG 72 1.231 -4.316 3.013 585 HB2 ARG 72 2HB ARG 72 2.111 -3.687 5.256 586 HB3 ARG 72 3HB ARG 72 0.578 -2.905 5.609 587 HG2 ARG 72 2HG ARG 72 -0.583 -5.035 5.434 588 HG3 ARG 72 3HG ARG 72 0.923 -5.842 4.998 589 HD2 ARG 72 2HD ARG 72 0.386 -4.425 7.610 590 HD3 ARG 72 3HD ARG 72 0.333 -6.169 7.368 591 HE ARG 72 HE ARG 72 2.809 -5.667 6.588 592 HH11 ARG 72 1HH1 ARG 72 1.118 -4.390 9.313 593 HH12 ARG 72 2HH1 ARG 72 2.552 -4.269 10.273 594 HH21 ARG 72 1HH2 ARG 72 4.647 -5.466 7.842 595 HH22 ARG 72 2HH2 ARG 72 4.507 -4.853 9.453 596 H VAL 73 H VAL 73 -0.592 -4.952 2.033 597 HA VAL 73 HA VAL 73 -2.831 -3.296 1.600 598 HB VAL 73 HB VAL 73 -2.656 -6.305 1.321 599 HG11 VAL 73 1HG1 VAL 73 -4.595 -4.348 0.072 600 HG12 VAL 73 2HG1 VAL 73 -4.974 -5.531 1.327 601 HG13 VAL 73 3HG1 VAL 73 -4.501 -6.074 -0.283 602 HG21 VAL 73 3HG2 VAL 73 -0.922 -5.189 0.023 603 HG22 VAL 73 1HG2 VAL 73 -2.127 -4.124 -0.705 604 HG23 VAL 73 2HG2 VAL 73 -2.157 -5.854 -1.046 605 H THR 74 H THR 74 -4.737 -3.024 2.633 606 HA THR 74 HA THR 74 -5.306 -4.677 5.023 607 HB THR 74 HB THR 74 -6.449 -2.712 6.002 608 HG1 THR 74 HG1 THR 74 -6.308 -0.707 4.995 609 HG21 THR 74 3HG2 THR 74 -4.095 -3.130 6.559 610 HG22 THR 74 1HG2 THR 74 -4.452 -1.403 6.540 611 HG23 THR 74 2HG2 THR 74 -3.594 -2.141 5.189 612 H SER 75 H SER 75 -7.127 -2.363 2.986 613 HA SER 75 HA SER 75 -9.621 -3.647 3.329 614 HB2 SER 75 2HB SER 75 -8.727 -1.735 1.150 615 HB3 SER 75 3HB SER 75 -10.399 -2.204 1.451 616 HG SER 75 HG SER 75 -9.779 -0.191 2.444 617 H ARG 76 H ARG 76 -10.644 -5.249 2.253 618 HA ARG 76 HA ARG 76 -9.229 -7.091 0.693 619 HB2 ARG 76 2HB ARG 76 -12.226 -6.728 0.909 620 HB3 ARG 76 3HB ARG 76 -11.423 -8.146 0.253 621 HG2 ARG 76 2HG ARG 76 -10.374 -8.537 2.457 622 HG3 ARG 76 3HG ARG 76 -11.261 -7.156 3.100 623 HD2 ARG 76 2HD ARG 76 -13.385 -8.281 2.535 624 HD3 ARG 76 3HD ARG 76 -12.479 -9.669 1.931 625 HE ARG 76 HE ARG 76 -11.759 -9.074 4.610 626 HH11 ARG 76 1HH1 ARG 76 -14.217 -10.572 2.712 627 HH12 ARG 76 2HH1 ARG 76 -14.769 -11.553 4.020 628 HH21 ARG 76 1HH2 ARG 76 -12.445 -10.366 6.255 629 HH22 ARG 76 2HH2 ARG 76 -13.773 -11.449 6.007 630 HA PRO 77 HA PRO 77 -9.256 -4.967 -3.277 631 HB2 PRO 77 2HB PRO 77 -8.393 -7.619 -4.286 632 HB3 PRO 77 3HB PRO 77 -7.601 -6.046 -4.434 633 HG2 PRO 77 2HG PRO 77 -6.659 -7.931 -2.791 634 HG3 PRO 77 3HG PRO 77 -6.582 -6.214 -2.362 635 HD2 PRO 77 2HD PRO 77 -8.474 -8.333 -1.402 636 HD3 PRO 77 3HD PRO 77 -7.710 -7.009 -0.496 637 H GLY 78 H GLY 78 -11.507 -4.768 -3.542 638 HA2 GLY 78 2HA GLY 78 -12.746 -5.695 -5.677 639 HA3 GLY 78 3HA GLY 78 -12.971 -7.069 -4.611 640 H GLN 79 H GLN 79 -13.809 -6.316 -2.323 641 HA GLN 79 HA GLN 79 -16.433 -5.465 -2.612 642 HB2 GLN 79 2HB GLN 79 -14.676 -5.374 -0.153 643 HB3 GLN 79 3HB GLN 79 -16.415 -5.111 -0.126 644 HG2 GLN 79 2HG GLN 79 -16.732 -7.387 -1.047 645 HG3 GLN 79 3HG GLN 79 -14.989 -7.637 -0.941 646 HE21 GLN 79 1HE2 GLN 79 -15.273 -9.360 0.495 647 HE22 GLN 79 2HE2 GLN 79 -15.714 -9.103 2.146 648 H ASP 80 H ASP 80 -13.770 -3.509 -1.230 649 HA ASP 80 HA ASP 80 -15.233 -1.087 -1.199 650 HB2 ASP 80 2HB ASP 80 -13.162 -1.561 0.134 651 HB3 ASP 80 3HB ASP 80 -12.224 -1.430 -1.351 652 H GLY 81 H GLY 81 -13.550 -2.769 -3.714 653 HA2 GLY 81 2HA GLY 81 -13.926 -2.290 -6.025 654 HA3 GLY 81 3HA GLY 81 -14.153 -0.596 -5.611 655 H VAL 82 H VAL 82 -11.713 -0.744 -3.844 656 HA VAL 82 HA VAL 82 -9.605 -0.917 -5.896 657 HB VAL 82 HB VAL 82 -10.338 1.442 -5.733 658 HG11 VAL 82 1HG1 VAL 82 -9.950 2.725 -3.685 659 HG12 VAL 82 2HG1 VAL 82 -9.470 1.250 -2.848 660 HG13 VAL 82 3HG1 VAL 82 -11.125 1.436 -3.426 661 HG21 VAL 82 3HG2 VAL 82 -8.007 0.962 -6.300 662 HG22 VAL 82 1HG2 VAL 82 -7.578 0.967 -4.589 663 HG23 VAL 82 2HG2 VAL 82 -8.132 2.451 -5.365 664 H ILE 83 H ILE 83 -7.407 -0.977 -4.954 665 HA ILE 83 HA ILE 83 -7.367 -2.583 -2.514 666 HB ILE 83 HB ILE 83 -5.110 -1.945 -4.436 667 HG12 ILE 83 2HG1 ILE 83 -6.813 -4.449 -4.272 668 HG13 ILE 83 3HG1 ILE 83 -7.032 -3.180 -5.474 669 HG21 ILE 83 1HG2 ILE 83 -5.329 -4.040 -2.264 670 HG22 ILE 83 2HG2 ILE 83 -4.308 -2.602 -2.229 671 HG23 ILE 83 3HG2 ILE 83 -3.991 -3.881 -3.402 672 HD11 ILE 83 3HD1 ILE 83 -5.802 -5.050 -6.395 673 HD12 ILE 83 1HD1 ILE 83 -4.580 -4.896 -5.132 674 HD13 ILE 83 2HD1 ILE 83 -4.782 -3.613 -6.326 675 H ASN 84 H ASN 84 -6.726 -1.791 -0.575 676 HA ASN 84 HA ASN 84 -5.237 0.764 -0.506 677 HB2 ASN 84 2HB ASN 84 -7.347 -0.271 1.405 678 HB3 ASN 84 3HB ASN 84 -6.347 1.143 1.722 679 HD21 ASN 84 1HD2 ASN 84 -8.130 2.493 1.803 680 HD22 ASN 84 2HD2 ASN 84 -9.031 2.931 0.395 681 H GLY 85 H GLY 85 -3.773 1.071 1.305 682 HA2 GLY 85 2HA GLY 85 -3.116 -1.158 3.020 683 HA3 GLY 85 3HA GLY 85 -1.926 -0.885 1.756 684 H VAL 86 H VAL 86 -0.867 -0.698 4.134 685 HA VAL 86 HA VAL 86 -0.848 2.168 4.894 686 HB VAL 86 HB VAL 86 0.272 -0.075 6.584 687 HG11 VAL 86 1HG1 VAL 86 -0.057 1.522 8.419 688 HG12 VAL 86 2HG1 VAL 86 -0.678 2.711 7.272 689 HG13 VAL 86 3HG1 VAL 86 1.000 2.174 7.168 690 HG21 VAL 86 3HG2 VAL 86 -1.848 -0.077 7.843 691 HG22 VAL 86 1HG2 VAL 86 -2.052 -0.635 6.182 692 HG23 VAL 86 2HG2 VAL 86 -2.555 0.994 6.634 693 H LEU 87 H LEU 87 1.053 3.319 4.888 694 HA LEU 87 HA LEU 87 3.293 2.222 3.414 695 HB2 LEU 87 2HB LEU 87 2.482 4.525 3.050 696 HB3 LEU 87 3HB LEU 87 2.935 4.939 4.690 697 HG LEU 87 HG LEU 87 5.313 4.507 4.132 698 HD11 LEU 87 1HD1 LEU 87 5.009 2.882 2.340 699 HD12 LEU 87 2HD1 LEU 87 5.976 4.247 1.784 700 HD13 LEU 87 3HD1 LEU 87 4.280 4.123 1.316 701 HD21 LEU 87 3HD2 LEU 87 4.418 6.776 3.993 702 HD22 LEU 87 1HD2 LEU 87 3.929 6.494 2.321 703 HD23 LEU 87 2HD2 LEU 87 5.638 6.509 2.749 704 H ILE 88 H ILE 88 4.889 1.119 4.358 705 HA ILE 88 HA ILE 88 5.885 1.903 7.012 706 HB ILE 88 HB ILE 88 5.946 -0.471 7.737 707 HG12 ILE 88 2HG1 ILE 88 4.475 -0.866 5.129 708 HG13 ILE 88 3HG1 ILE 88 5.924 -1.678 5.695 709 HG21 ILE 88 1HG2 ILE 88 3.173 0.529 7.082 710 HG22 ILE 88 2HG2 ILE 88 4.136 1.003 8.481 711 HG23 ILE 88 3HG2 ILE 88 3.584 -0.664 8.316 712 HD11 ILE 88 3HD1 ILE 88 3.156 -2.045 6.814 713 HD12 ILE 88 1HD1 ILE 88 4.615 -2.854 7.385 714 HD13 ILE 88 2HD1 ILE 88 4.016 -3.160 5.756 715 H ARG 89 H ARG 89 7.702 -0.127 7.438 716 HA ARG 89 HA ARG 89 9.466 -0.034 5.068 717 HB2 ARG 89 2HB ARG 89 10.226 0.244 7.990 718 HB3 ARG 89 3HB ARG 89 11.391 0.012 6.695 719 HG2 ARG 89 2HG ARG 89 9.489 2.344 6.867 720 HG3 ARG 89 3HG ARG 89 11.159 2.368 7.441 721 HD2 ARG 89 2HD ARG 89 11.925 1.825 5.158 722 HD3 ARG 89 3HD ARG 89 10.252 1.880 4.599 723 HE ARG 89 HE ARG 89 10.542 4.305 5.694 724 HH11 ARG 89 1HH1 ARG 89 12.564 2.562 3.521 725 HH12 ARG 89 2HH1 ARG 89 13.188 3.993 2.778 726 HH21 ARG 89 1HH2 ARG 89 11.327 6.126 4.738 727 HH22 ARG 89 2HH2 ARG 89 12.468 6.003 3.441 728 H GLU 90 H GLU 90 9.293 -2.058 4.277 729 HA GLU 90 HA GLU 90 9.713 -4.350 6.100 730 HB2 GLU 90 2HB GLU 90 8.113 -4.364 3.528 731 HB3 GLU 90 3HB GLU 90 8.272 -5.689 4.671 732 HG2 GLU 90 2HG GLU 90 7.006 -3.052 5.377 733 HG3 GLU 90 3HG GLU 90 6.101 -4.411 4.720 734 H LEU 91 H LEU 91 9.830 -3.608 2.616 735 HA LEU 91 HA LEU 91 11.993 -5.557 2.274 736 HB2 LEU 91 2HB LEU 91 10.274 -4.165 0.208 737 HB3 LEU 91 3HB LEU 91 11.406 -5.471 -0.102 738 HG LEU 91 HG LEU 91 8.885 -5.698 1.561 739 HD11 LEU 91 1HD1 LEU 91 8.057 -7.078 -0.296 740 HD12 LEU 91 2HD1 LEU 91 9.517 -6.711 -1.217 741 HD13 LEU 91 3HD1 LEU 91 8.386 -5.422 -0.804 742 HD21 LEU 91 3HD2 LEU 91 10.604 -7.211 2.365 743 HD22 LEU 91 1HD2 LEU 91 10.904 -7.791 0.727 744 HD23 LEU 91 2HD2 LEU 91 9.360 -8.117 1.511 745 H GLU 92 H GLU 92 12.926 -4.528 -0.222 746 HA GLU 92 HA GLU 92 15.098 -2.997 0.531 747 HB2 GLU 92 2HB GLU 92 14.156 -4.209 -1.825 748 HB3 GLU 92 3HB GLU 92 14.399 -2.525 -2.257 749 HG2 GLU 92 2HG GLU 92 16.494 -4.261 -0.953 750 HG3 GLU 92 3HG GLU 92 16.357 -4.003 -2.691 751 H HIS 93 H HIS 93 15.681 -0.806 -0.544 752 HA HIS 93 HA HIS 93 13.696 1.082 0.506 753 HB2 HIS 93 2HB HIS 93 16.627 1.519 -0.094 754 HB3 HIS 93 3HB HIS 93 15.572 2.581 0.833 755 HD1 HIS 93 HD1 HIS 93 17.429 -0.665 1.059 756 HD2 HIS 93 HD2 HIS 93 15.136 1.805 3.487 757 HE1 HIS 93 HE1 HIS 93 17.737 -1.542 3.382 758 HE2 HIS 93 HE2 HIS 93 16.191 -0.158 4.801 759 H HIS 94 H HIS 94 13.433 0.056 -2.269 760 HA HIS 94 HA HIS 94 14.326 2.078 -4.085 761 HB2 HIS 94 2HB HIS 94 12.115 0.032 -4.424 762 HB3 HIS 94 3HB HIS 94 12.798 1.015 -5.717 763 HD1 HIS 94 HD1 HIS 94 12.967 -2.272 -4.617 764 HD2 HIS 94 HD2 HIS 94 15.885 0.531 -5.577 765 HE1 HIS 94 HE1 HIS 94 15.030 -3.601 -5.153 766 HE2 HIS 94 HE2 HIS 94 16.807 -1.884 -5.623 767 H HIS 95 H HIS 95 13.691 4.072 -3.269 768 HA HIS 95 HA HIS 95 10.791 4.673 -3.372 769 HB2 HIS 95 2HB HIS 95 12.982 5.803 -1.634 770 HB3 HIS 95 3HB HIS 95 11.489 6.686 -1.909 771 HD1 HIS 95 HD1 HIS 95 9.936 6.411 -0.063 772 HD2 HIS 95 HD2 HIS 95 12.194 2.975 -0.649 773 HE1 HIS 95 HE1 HIS 95 9.220 4.826 1.740 774 HE2 HIS 95 HE2 HIS 95 10.438 2.691 1.237 775 H HIS 96 H HIS 96 10.136 6.161 -4.838 776 HA HIS 96 HA HIS 96 11.525 8.543 -5.384 777 HB2 HIS 96 2HB HIS 96 12.191 8.275 -7.702 778 HB3 HIS 96 3HB HIS 96 13.003 7.061 -6.720 779 HD1 HIS 96 HD1 HIS 96 11.220 7.399 -9.801 780 HD2 HIS 96 HD2 HIS 96 11.535 4.444 -6.895 781 HE1 HIS 96 HE1 HIS 96 10.463 5.284 -10.910 782 HE2 HIS 96 HE2 HIS 96 10.840 3.489 -9.195 783 H HIS 97 H HIS 97 10.027 10.004 -5.864 784 HA HIS 97 HA HIS 97 7.364 9.175 -6.652 785 HB2 HIS 97 2HB HIS 97 7.756 10.952 -4.946 786 HB3 HIS 97 3HB HIS 97 8.461 11.968 -6.201 787 HD1 HIS 97 HD1 HIS 97 6.867 13.495 -7.358 788 HD2 HIS 97 HD2 HIS 97 4.920 10.322 -5.513 789 HE1 HIS 97 HE1 HIS 97 4.420 13.950 -7.648 790 HE2 HIS 97 HE2 HIS 97 3.283 12.160 -6.302 791 H HIS 98 H HIS 98 10.211 10.243 -8.215 792 HA HIS 98 HA HIS 98 8.942 10.142 -10.809 793 HB2 HIS 98 2HB HIS 98 8.594 12.512 -9.881 794 HB3 HIS 98 3HB HIS 98 10.329 12.730 -10.069 795 HD1 HIS 98 HD1 HIS 98 10.979 13.740 -12.238 796 HD2 HIS 98 HD2 HIS 98 7.348 11.743 -12.498 797 HE1 HIS 98 HE1 HIS 98 10.139 14.171 -14.561 798 HE2 HIS 98 HE2 HIS 98 7.886 13.061 -14.651 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -43.485 23.371 -41.641 2 H2 GLY 1 2H GLY 1 -42.183 22.311 -41.824 3 H3 GLY 1 3H GLY 1 -41.927 23.862 -41.199 4 HA2 GLY 1 2HA GLY 1 -43.258 23.320 -39.245 5 HA3 GLY 1 3HA GLY 1 -43.506 21.707 -39.895 6 H ASP 2 H ASP 2 -42.125 22.826 -37.409 7 HA ASP 2 HA ASP 2 -39.499 21.522 -37.790 8 HB2 ASP 2 2HB ASP 2 -39.178 23.867 -37.362 9 HB3 ASP 2 3HB ASP 2 -40.268 23.821 -35.979 10 H ARG 3 H ARG 3 -39.185 19.697 -36.684 11 HA ARG 3 HA ARG 3 -40.025 19.527 -33.924 12 HB2 ARG 3 2HB ARG 3 -41.093 17.281 -34.210 13 HB3 ARG 3 3HB ARG 3 -42.005 18.616 -34.886 14 HG2 ARG 3 2HG ARG 3 -42.223 16.970 -36.495 15 HG3 ARG 3 3HG ARG 3 -40.904 17.953 -37.129 16 HD2 ARG 3 2HD ARG 3 -40.456 15.543 -37.337 17 HD3 ARG 3 3HD ARG 3 -39.277 16.350 -36.306 18 HE ARG 3 HE ARG 3 -41.181 15.398 -34.583 19 HH11 ARG 3 1HH1 ARG 3 -39.151 13.999 -36.986 20 HH12 ARG 3 2HH1 ARG 3 -39.017 12.490 -36.152 21 HH21 ARG 3 1HH2 ARG 3 -41.004 13.474 -33.519 22 HH22 ARG 3 2HH2 ARG 3 -40.072 12.188 -34.206 23 H ARG 4 H ARG 4 -38.782 18.116 -32.689 24 HA ARG 4 HA ARG 4 -36.510 16.861 -34.095 25 HB2 ARG 4 2HB ARG 4 -36.445 18.392 -31.483 26 HB3 ARG 4 3HB ARG 4 -35.083 17.512 -32.167 27 HG2 ARG 4 2HG ARG 4 -35.111 18.988 -34.122 28 HG3 ARG 4 3HG ARG 4 -36.479 19.866 -33.441 29 HD2 ARG 4 2HD ARG 4 -33.769 19.617 -32.134 30 HD3 ARG 4 3HD ARG 4 -34.293 20.996 -33.100 31 HE ARG 4 HE ARG 4 -35.707 20.198 -30.634 32 HH11 ARG 4 1HH1 ARG 4 -34.248 22.615 -32.630 33 HH12 ARG 4 2HH1 ARG 4 -34.574 23.887 -31.501 34 HH21 ARG 4 1HH2 ARG 4 -36.127 21.874 -29.208 35 HH22 ARG 4 2HH2 ARG 4 -35.611 23.477 -29.611 36 H VAL 5 H VAL 5 -35.301 15.323 -32.541 37 HA VAL 5 HA VAL 5 -37.219 13.740 -30.954 38 HB VAL 5 HB VAL 5 -36.984 12.778 -33.246 39 HG11 VAL 5 1HG1 VAL 5 -34.686 13.477 -33.699 40 HG12 VAL 5 2HG1 VAL 5 -34.881 11.740 -33.936 41 HG13 VAL 5 3HG1 VAL 5 -34.093 12.349 -32.481 42 HG21 VAL 5 3HG2 VAL 5 -35.842 11.064 -31.032 43 HG22 VAL 5 1HG2 VAL 5 -36.501 10.461 -32.556 44 HG23 VAL 5 2HG2 VAL 5 -37.549 11.293 -31.406 45 H ARG 6 H ARG 6 -36.113 12.189 -29.460 46 HA ARG 6 HA ARG 6 -33.786 13.350 -28.226 47 HB2 ARG 6 2HB ARG 6 -35.285 10.783 -27.651 48 HB3 ARG 6 3HB ARG 6 -33.950 11.385 -26.677 49 HG2 ARG 6 2HG ARG 6 -35.248 13.388 -26.132 50 HG3 ARG 6 3HG ARG 6 -36.589 12.783 -27.111 51 HD2 ARG 6 2HD ARG 6 -36.838 10.858 -25.653 52 HD3 ARG 6 3HD ARG 6 -35.420 11.344 -24.726 53 HE ARG 6 HE ARG 6 -37.459 13.351 -24.755 54 HH11 ARG 6 1HH1 ARG 6 -36.452 10.423 -23.243 55 HH12 ARG 6 2HH1 ARG 6 -37.277 10.777 -21.767 56 HH21 ARG 6 1HH2 ARG 6 -38.508 13.793 -22.844 57 HH22 ARG 6 2HH2 ARG 6 -38.403 12.666 -21.537 58 H LEU 7 H LEU 7 -31.753 13.012 -28.902 59 HA LEU 7 HA LEU 7 -31.070 10.736 -30.577 60 HB2 LEU 7 2HB LEU 7 -29.451 13.072 -29.542 61 HB3 LEU 7 3HB LEU 7 -28.764 11.790 -30.518 62 HG LEU 7 HG LEU 7 -30.390 12.398 -32.342 63 HD11 LEU 7 1HD1 LEU 7 -30.911 14.801 -30.586 64 HD12 LEU 7 2HD1 LEU 7 -32.073 13.542 -31.008 65 HD13 LEU 7 3HD1 LEU 7 -31.442 14.611 -32.259 66 HD21 LEU 7 3HD2 LEU 7 -29.134 14.352 -33.078 67 HD22 LEU 7 1HD2 LEU 7 -28.061 13.137 -32.383 68 HD23 LEU 7 2HD2 LEU 7 -28.492 14.571 -31.451 69 H ILE 8 H ILE 8 -31.919 9.957 -28.028 70 HA ILE 8 HA ILE 8 -29.762 9.532 -26.216 71 HB ILE 8 HB ILE 8 -32.005 9.638 -25.354 72 HG12 ILE 8 2HG1 ILE 8 -30.903 6.823 -25.090 73 HG13 ILE 8 3HG1 ILE 8 -30.428 8.214 -24.121 74 HG21 ILE 8 1HG2 ILE 8 -32.619 7.185 -27.010 75 HG22 ILE 8 2HG2 ILE 8 -33.222 8.817 -27.298 76 HG23 ILE 8 3HG2 ILE 8 -33.709 7.942 -25.848 77 HD11 ILE 8 3HD1 ILE 8 -31.931 6.794 -22.882 78 HD12 ILE 8 1HD1 ILE 8 -33.142 6.908 -24.160 79 HD13 ILE 8 2HD1 ILE 8 -32.709 8.339 -23.221 80 H ARG 9 H ARG 9 -28.267 7.966 -26.191 81 HA ARG 9 HA ARG 9 -28.479 5.782 -28.139 82 HB2 ARG 9 2HB ARG 9 -26.085 6.526 -26.443 83 HB3 ARG 9 3HB ARG 9 -26.108 5.466 -27.845 84 HG2 ARG 9 2HG ARG 9 -26.548 8.449 -27.831 85 HG3 ARG 9 3HG ARG 9 -25.140 7.584 -28.448 86 HD2 ARG 9 2HD ARG 9 -26.606 6.487 -30.128 87 HD3 ARG 9 3HD ARG 9 -27.952 7.475 -29.549 88 HE ARG 9 HE ARG 9 -25.518 8.782 -30.537 89 HH11 ARG 9 1HH1 ARG 9 -28.892 8.110 -30.932 90 HH12 ARG 9 2HH1 ARG 9 -29.078 9.313 -32.157 91 HH21 ARG 9 1HH2 ARG 9 -25.791 10.305 -32.085 92 HH22 ARG 9 2HH2 ARG 9 -27.350 10.549 -32.800 93 H THR 10 H THR 10 -29.816 4.286 -27.178 94 HA THR 10 HA THR 10 -29.698 3.564 -24.432 95 HB THR 10 HB THR 10 -30.897 1.987 -26.729 96 HG1 THR 10 HG1 THR 10 -32.155 3.821 -24.930 97 HG21 THR 10 3HG2 THR 10 -31.424 1.855 -23.750 98 HG22 THR 10 1HG2 THR 10 -30.611 0.624 -24.714 99 HG23 THR 10 2HG2 THR 10 -32.317 0.973 -24.987 100 H ARG 11 H ARG 11 -27.547 3.057 -23.944 101 HA ARG 11 HA ARG 11 -26.266 0.812 -25.329 102 HB2 ARG 11 2HB ARG 11 -25.236 2.759 -23.254 103 HB3 ARG 11 3HB ARG 11 -24.297 1.411 -23.872 104 HG2 ARG 11 2HG ARG 11 -24.563 2.396 -26.169 105 HG3 ARG 11 3HG ARG 11 -25.270 3.819 -25.399 106 HD2 ARG 11 2HD ARG 11 -22.838 4.053 -25.876 107 HD3 ARG 11 3HD ARG 11 -23.238 4.230 -24.166 108 HE ARG 11 HE ARG 11 -22.616 1.571 -24.527 109 HH11 ARG 11 1HH1 ARG 11 -20.950 4.558 -24.978 110 HH12 ARG 11 2HH1 ARG 11 -19.409 3.865 -24.617 111 HH21 ARG 11 1HH2 ARG 11 -20.665 0.711 -24.063 112 HH22 ARG 11 2HH2 ARG 11 -19.250 1.704 -24.086 113 H GLY 12 H GLY 12 -25.457 -1.011 -24.260 114 HA2 GLY 12 2HA GLY 12 -26.551 -1.526 -21.553 115 HA3 GLY 12 3HA GLY 12 -26.208 -2.775 -22.743 116 H GLY 13 H GLY 13 -24.882 -3.868 -21.175 117 HA2 GLY 13 2HA GLY 13 -22.206 -3.728 -21.471 118 HA3 GLY 13 3HA GLY 13 -22.476 -2.521 -20.225 119 H ASN 14 H ASN 14 -20.952 -4.979 -20.044 120 HA ASN 14 HA ASN 14 -22.314 -6.195 -17.747 121 HB2 ASN 14 2HB ASN 14 -22.750 -7.628 -19.738 122 HB3 ASN 14 3HB ASN 14 -21.016 -7.800 -19.975 123 HD21 ASN 14 1HD2 ASN 14 -23.717 -8.618 -17.927 124 HD22 ASN 14 2HD2 ASN 14 -22.940 -9.932 -17.120 125 H THR 15 H THR 15 -20.706 -7.649 -16.508 126 HA THR 15 HA THR 15 -18.552 -6.262 -15.546 127 HB THR 15 HB THR 15 -18.814 -9.276 -15.681 128 HG1 THR 15 HG1 THR 15 -20.381 -8.862 -14.316 129 HG21 THR 15 3HG2 THR 15 -17.090 -7.552 -13.882 130 HG22 THR 15 1HG2 THR 15 -16.510 -8.637 -15.146 131 HG23 THR 15 2HG2 THR 15 -17.311 -9.292 -13.720 132 H LYS 16 H LYS 16 -16.667 -5.639 -16.362 133 HA LYS 16 HA LYS 16 -15.550 -6.972 -18.729 134 HB2 LYS 16 2HB LYS 16 -14.874 -4.342 -17.390 135 HB3 LYS 16 3HB LYS 16 -14.082 -4.956 -18.833 136 HG2 LYS 16 2HG LYS 16 -16.124 -4.786 -20.097 137 HG3 LYS 16 3HG LYS 16 -17.030 -4.349 -18.646 138 HD2 LYS 16 2HD LYS 16 -16.521 -2.375 -20.020 139 HD3 LYS 16 3HD LYS 16 -15.745 -2.282 -18.438 140 HE2 LYS 16 2HE LYS 16 -13.647 -3.153 -19.516 141 HE3 LYS 16 3HE LYS 16 -14.453 -2.996 -21.076 142 HZ1 LYS 16 3HZ LYS 16 -13.088 -1.076 -20.621 143 HZ2 LYS 16 1HZ LYS 16 -13.897 -0.790 -19.163 144 HZ3 LYS 16 2HZ LYS 16 -14.716 -0.620 -20.634 145 H VAL 17 H VAL 17 -12.902 -6.507 -18.592 146 HA VAL 17 HA VAL 17 -11.877 -8.296 -16.640 147 HB VAL 17 HB VAL 17 -10.737 -8.007 -18.768 148 HG11 VAL 17 1HG1 VAL 17 -10.106 -5.201 -17.848 149 HG12 VAL 17 2HG1 VAL 17 -11.170 -5.652 -19.176 150 HG13 VAL 17 3HG1 VAL 17 -9.443 -5.980 -19.283 151 HG21 VAL 17 3HG2 VAL 17 -9.411 -8.783 -16.867 152 HG22 VAL 17 1HG2 VAL 17 -9.002 -7.116 -16.453 153 HG23 VAL 17 2HG2 VAL 17 -8.423 -7.818 -17.965 154 H ARG 18 H ARG 18 -11.124 -7.951 -14.615 155 HA ARG 18 HA ARG 18 -11.746 -5.495 -13.341 156 HB2 ARG 18 2HB ARG 18 -10.613 -6.583 -11.321 157 HB3 ARG 18 3HB ARG 18 -12.037 -7.363 -11.983 158 HG2 ARG 18 2HG ARG 18 -10.554 -9.104 -11.498 159 HG3 ARG 18 3HG ARG 18 -10.445 -8.891 -13.243 160 HD2 ARG 18 2HD ARG 18 -8.235 -9.224 -12.244 161 HD3 ARG 18 3HD ARG 18 -8.372 -7.624 -12.972 162 HE ARG 18 HE ARG 18 -9.022 -7.224 -10.352 163 HH11 ARG 18 1HH1 ARG 18 -6.318 -8.680 -11.927 164 HH12 ARG 18 2HH1 ARG 18 -5.201 -8.154 -10.712 165 HH21 ARG 18 1HH2 ARG 18 -7.563 -6.571 -8.811 166 HH22 ARG 18 2HH2 ARG 18 -5.890 -6.986 -8.984 167 H LEU 19 H LEU 19 -8.794 -6.620 -14.784 168 HA LEU 19 HA LEU 19 -7.525 -4.120 -14.605 169 HB2 LEU 19 2HB LEU 19 -7.425 -4.875 -12.187 170 HB3 LEU 19 3HB LEU 19 -6.344 -6.152 -12.701 171 HG LEU 19 HG LEU 19 -5.645 -3.279 -13.270 172 HD11 LEU 19 1HD1 LEU 19 -6.196 -3.364 -10.891 173 HD12 LEU 19 2HD1 LEU 19 -4.462 -3.173 -11.134 174 HD13 LEU 19 3HD1 LEU 19 -5.117 -4.745 -10.680 175 HD21 LEU 19 3HD2 LEU 19 -3.355 -4.127 -13.118 176 HD22 LEU 19 1HD2 LEU 19 -4.285 -5.037 -14.310 177 HD23 LEU 19 2HD2 LEU 19 -3.967 -5.736 -12.723 178 H ALA 20 H ALA 20 -5.944 -4.012 -16.115 179 HA ALA 20 HA ALA 20 -4.812 -6.540 -17.149 180 HB1 ALA 20 3HB ALA 20 -4.404 -5.348 -19.246 181 HB2 ALA 20 1HB ALA 20 -5.064 -3.869 -18.542 182 HB3 ALA 20 2HB ALA 20 -6.109 -5.268 -18.794 183 H SER 21 H SER 21 -3.817 -3.108 -16.982 184 HA SER 21 HA SER 21 -1.276 -3.914 -15.716 185 HB2 SER 21 2HB SER 21 0.027 -2.474 -17.216 186 HB3 SER 21 3HB SER 21 -0.839 -3.684 -18.160 187 HG SER 21 HG SER 21 -1.392 -0.924 -17.872 188 H ASP 22 H ASP 22 -3.826 -2.556 -14.958 189 HA ASP 22 HA ASP 22 -3.100 0.248 -14.545 190 HB2 ASP 22 2HB ASP 22 -5.719 -1.061 -13.812 191 HB3 ASP 22 3HB ASP 22 -5.412 0.623 -14.232 192 H THR 23 H THR 23 -1.794 -1.853 -12.921 193 HA THR 23 HA THR 23 -3.113 -2.240 -10.453 194 HB THR 23 HB THR 23 -0.127 -2.409 -10.906 195 HG1 THR 23 HG1 THR 23 -0.459 -4.401 -11.747 196 HG21 THR 23 3HG2 THR 23 -1.940 -3.894 -8.992 197 HG22 THR 23 1HG2 THR 23 -0.890 -2.546 -8.552 198 HG23 THR 23 2HG2 THR 23 -0.188 -4.062 -9.122 199 H ARG 24 H ARG 24 -3.593 -0.716 -9.047 200 HA ARG 24 HA ARG 24 -1.546 1.100 -8.041 201 HB2 ARG 24 2HB ARG 24 -4.167 2.045 -9.227 202 HB3 ARG 24 3HB ARG 24 -3.166 3.038 -8.176 203 HG2 ARG 24 2HG ARG 24 -1.384 3.061 -9.764 204 HG3 ARG 24 3HG ARG 24 -2.192 1.856 -10.768 205 HD2 ARG 24 2HD ARG 24 -3.252 4.624 -10.192 206 HD3 ARG 24 3HD ARG 24 -2.383 4.161 -11.656 207 HE ARG 24 HE ARG 24 -4.767 2.623 -11.037 208 HH11 ARG 24 1HH1 ARG 24 -3.394 5.241 -12.795 209 HH12 ARG 24 2HH1 ARG 24 -4.656 5.259 -13.975 210 HH21 ARG 24 1HH2 ARG 24 -6.391 2.655 -12.543 211 HH22 ARG 24 2HH2 ARG 24 -6.335 3.798 -13.842 212 H ILE 25 H ILE 25 -2.336 2.256 -6.040 213 HA ILE 25 HA ILE 25 -4.509 0.911 -4.629 214 HB ILE 25 HB ILE 25 -2.641 -0.621 -4.288 215 HG12 ILE 25 2HG1 ILE 25 -3.187 0.992 -1.775 216 HG13 ILE 25 3HG1 ILE 25 -4.229 -0.273 -2.417 217 HG21 ILE 25 1HG2 ILE 25 -0.797 0.934 -4.657 218 HG22 ILE 25 2HG2 ILE 25 -0.593 0.082 -3.127 219 HG23 ILE 25 3HG2 ILE 25 -1.163 1.752 -3.136 220 HD11 ILE 25 3HD1 ILE 25 -2.434 -1.907 -2.061 221 HD12 ILE 25 1HD1 ILE 25 -2.913 -1.098 -0.570 222 HD13 ILE 25 2HD1 ILE 25 -1.423 -0.630 -1.386 223 H ASN 26 H ASN 26 -5.392 2.149 -2.989 224 HA ASN 26 HA ASN 26 -4.369 4.821 -2.569 225 HB2 ASN 26 2HB ASN 26 -6.678 3.359 -1.256 226 HB3 ASN 26 3HB ASN 26 -6.291 5.058 -1.004 227 HD21 ASN 26 1HD2 ASN 26 -8.728 3.954 -2.049 228 HD22 ASN 26 2HD2 ASN 26 -8.919 4.592 -3.640 229 H VAL 27 H VAL 27 -2.560 4.975 -1.404 230 HA VAL 27 HA VAL 27 -2.019 3.101 0.762 231 HB VAL 27 HB VAL 27 -0.262 5.265 -0.422 232 HG11 VAL 27 1HG1 VAL 27 0.389 4.691 1.859 233 HG12 VAL 27 2HG1 VAL 27 1.577 4.100 0.702 234 HG13 VAL 27 3HG1 VAL 27 0.426 2.982 1.434 235 HG21 VAL 27 3HG2 VAL 27 0.870 3.434 -1.592 236 HG22 VAL 27 1HG2 VAL 27 -0.828 3.538 -2.057 237 HG23 VAL 27 2HG2 VAL 27 -0.295 2.288 -0.936 238 H VAL 28 H VAL 28 -2.360 3.566 2.827 239 HA VAL 28 HA VAL 28 -2.879 6.323 3.654 240 HB VAL 28 HB VAL 28 -3.168 3.786 5.285 241 HG11 VAL 28 1HG1 VAL 28 -4.602 5.168 6.735 242 HG12 VAL 28 2HG1 VAL 28 -4.226 6.581 5.748 243 HG13 VAL 28 3HG1 VAL 28 -2.949 5.779 6.661 244 HG21 VAL 28 3HG2 VAL 28 -4.643 3.688 3.351 245 HG22 VAL 28 1HG2 VAL 28 -5.267 5.299 3.719 246 HG23 VAL 28 2HG2 VAL 28 -5.581 3.956 4.823 247 H ASP 29 H ASP 29 -1.314 7.501 4.509 248 HA ASP 29 HA ASP 29 1.235 6.398 5.229 249 HB2 ASP 29 2HB ASP 29 0.717 8.657 4.104 250 HB3 ASP 29 3HB ASP 29 0.309 9.234 5.714 251 HA PRO 30 HA PRO 30 0.054 5.981 9.591 252 HB2 PRO 30 2HB PRO 30 2.185 4.586 10.417 253 HB3 PRO 30 3HB PRO 30 0.962 3.853 9.370 254 HG2 PRO 30 2HG PRO 30 3.642 4.988 8.638 255 HG3 PRO 30 3HG PRO 30 2.889 3.475 8.101 256 HD2 PRO 30 2HD PRO 30 2.874 5.794 6.626 257 HD3 PRO 30 3HD PRO 30 1.635 4.530 6.486 258 H GLU 31 H GLU 31 2.852 7.563 8.286 259 HA GLU 31 HA GLU 31 3.827 8.552 10.840 260 HB2 GLU 31 2HB GLU 31 4.649 9.215 8.001 261 HB3 GLU 31 3HB GLU 31 5.481 9.770 9.446 262 HG2 GLU 31 2HG GLU 31 5.152 6.875 8.676 263 HG3 GLU 31 3HG GLU 31 6.574 7.852 8.313 264 H THR 32 H THR 32 2.161 9.865 7.987 265 HA THR 32 HA THR 32 1.760 12.420 9.433 266 HB THR 32 HB THR 32 1.424 13.428 7.149 267 HG1 THR 32 HG1 THR 32 2.759 11.218 6.044 268 HG21 THR 32 3HG2 THR 32 4.100 12.120 7.694 269 HG22 THR 32 1HG2 THR 32 3.557 13.684 8.305 270 HG23 THR 32 2HG2 THR 32 3.828 13.457 6.577 271 H GLY 33 H GLY 33 0.081 9.710 8.262 272 HA2 GLY 33 2HA GLY 33 -2.164 9.214 8.395 273 HA3 GLY 33 3HA GLY 33 -2.421 10.794 9.109 274 H LYS 34 H LYS 34 -0.896 10.634 5.982 275 HA LYS 34 HA LYS 34 -3.358 11.688 4.747 276 HB2 LYS 34 2HB LYS 34 -1.837 12.490 2.933 277 HB3 LYS 34 3HB LYS 34 -1.504 13.188 4.510 278 HG2 LYS 34 2HG LYS 34 0.388 11.690 4.805 279 HG3 LYS 34 3HG LYS 34 0.039 10.914 3.260 280 HD2 LYS 34 2HD LYS 34 0.566 12.911 2.051 281 HD3 LYS 34 3HD LYS 34 0.655 13.857 3.539 282 HE2 LYS 34 2HE LYS 34 2.885 13.312 2.624 283 HE3 LYS 34 3HE LYS 34 2.635 12.652 4.238 284 HZ1 LYS 34 3HZ LYS 34 2.254 11.077 1.759 285 HZ2 LYS 34 1HZ LYS 34 2.314 10.496 3.343 286 HZ3 LYS 34 2HZ LYS 34 3.704 11.119 2.617 287 H VAL 35 H VAL 35 -4.259 10.783 2.921 288 HA VAL 35 HA VAL 35 -3.282 8.105 2.171 289 HB VAL 35 HB VAL 35 -5.985 9.355 1.610 290 HG11 VAL 35 1HG1 VAL 35 -5.375 7.649 -0.029 291 HG12 VAL 35 2HG1 VAL 35 -6.678 7.074 1.011 292 HG13 VAL 35 3HG1 VAL 35 -5.028 6.506 1.269 293 HG21 VAL 35 3HG2 VAL 35 -6.838 7.864 3.373 294 HG22 VAL 35 1HG2 VAL 35 -5.664 9.018 4.005 295 HG23 VAL 35 2HG2 VAL 35 -5.189 7.343 3.727 296 H GLU 36 H GLU 36 -2.192 7.915 0.317 297 HA GLU 36 HA GLU 36 -2.882 9.676 -1.946 298 HB2 GLU 36 2HB GLU 36 -0.452 9.818 -2.512 299 HB3 GLU 36 3HB GLU 36 -0.889 10.637 -1.020 300 HG2 GLU 36 2HG GLU 36 -0.044 8.699 0.258 301 HG3 GLU 36 3HG GLU 36 0.457 7.947 -1.256 302 H ILE 37 H ILE 37 -2.628 8.795 -4.019 303 HA ILE 37 HA ILE 37 -2.887 5.908 -4.092 304 HB ILE 37 HB ILE 37 -3.001 7.887 -6.382 305 HG12 ILE 37 2HG1 ILE 37 -5.242 6.665 -4.739 306 HG13 ILE 37 3HG1 ILE 37 -4.717 8.342 -4.667 307 HG21 ILE 37 1HG2 ILE 37 -4.165 6.097 -7.594 308 HG22 ILE 37 2HG2 ILE 37 -3.948 5.017 -6.216 309 HG23 ILE 37 3HG2 ILE 37 -2.544 5.592 -7.115 310 HD11 ILE 37 3HD1 ILE 37 -6.753 8.085 -5.970 311 HD12 ILE 37 1HD1 ILE 37 -5.921 6.988 -7.071 312 HD13 ILE 37 2HD1 ILE 37 -5.425 8.677 -6.967 313 H ALA 38 H ALA 38 -1.316 4.504 -4.585 314 HA ALA 38 HA ALA 38 1.149 5.507 -5.876 315 HB1 ALA 38 3HB ALA 38 0.918 3.269 -3.867 316 HB2 ALA 38 1HB ALA 38 1.473 4.905 -3.516 317 HB3 ALA 38 2HB ALA 38 2.404 3.872 -4.597 318 H GLU 39 H GLU 39 2.399 3.888 -7.073 319 HA GLU 39 HA GLU 39 0.645 2.045 -8.564 320 HB2 GLU 39 2HB GLU 39 3.392 3.101 -9.294 321 HB3 GLU 39 3HB GLU 39 2.339 2.146 -10.330 322 HG2 GLU 39 2HG GLU 39 0.721 3.952 -10.398 323 HG3 GLU 39 3HG GLU 39 1.703 4.897 -9.279 324 H ILE 40 H ILE 40 0.760 -0.046 -7.928 325 HA ILE 40 HA ILE 40 2.943 -1.028 -6.326 326 HB ILE 40 HB ILE 40 0.683 -2.595 -7.582 327 HG12 ILE 40 2HG1 ILE 40 0.885 -1.413 -4.795 328 HG13 ILE 40 3HG1 ILE 40 -0.146 -0.804 -6.086 329 HG21 ILE 40 1HG2 ILE 40 2.558 -3.296 -5.320 330 HG22 ILE 40 2HG2 ILE 40 2.538 -4.019 -6.930 331 HG23 ILE 40 3HG2 ILE 40 1.176 -4.264 -5.836 332 HD11 ILE 40 3HD1 ILE 40 -1.419 -2.119 -4.497 333 HD12 ILE 40 1HD1 ILE 40 -0.365 -3.506 -4.769 334 HD13 ILE 40 2HD1 ILE 40 -1.395 -2.909 -6.073 335 H ARG 41 H ARG 41 4.855 -1.566 -7.200 336 HA ARG 41 HA ARG 41 5.073 -2.422 -9.959 337 HB2 ARG 41 2HB ARG 41 7.276 -2.342 -7.893 338 HB3 ARG 41 3HB ARG 41 7.450 -2.347 -9.641 339 HG2 ARG 41 2HG ARG 41 6.487 -0.114 -7.871 340 HG3 ARG 41 3HG ARG 41 7.898 -0.144 -8.929 341 HD2 ARG 41 2HD ARG 41 4.990 -0.032 -9.729 342 HD3 ARG 41 3HD ARG 41 6.227 1.198 -9.974 343 HE ARG 41 HE ARG 41 6.918 -1.234 -11.278 344 HH11 ARG 41 1HH1 ARG 41 5.006 1.607 -11.586 345 HH12 ARG 41 2HH1 ARG 41 4.846 1.455 -13.296 346 HH21 ARG 41 1HH2 ARG 41 6.677 -1.447 -13.481 347 HH22 ARG 41 2HH2 ARG 41 5.767 -0.266 -14.358 348 H ASN 42 H ASN 42 5.883 -3.848 -6.790 349 HA ASN 42 HA ASN 42 5.771 -6.528 -8.033 350 HB2 ASN 42 2HB ASN 42 7.620 -5.538 -5.847 351 HB3 ASN 42 3HB ASN 42 7.476 -7.224 -6.336 352 HD21 ASN 42 1HD2 ASN 42 8.258 -7.859 -8.337 353 HD22 ASN 42 2HD2 ASN 42 9.358 -6.885 -9.243 354 H VAL 43 H VAL 43 5.012 -8.264 -6.720 355 HA VAL 43 HA VAL 43 3.422 -7.451 -4.374 356 HB VAL 43 HB VAL 43 1.630 -9.080 -5.179 357 HG11 VAL 43 1HG1 VAL 43 2.126 -6.602 -6.840 358 HG12 VAL 43 2HG1 VAL 43 1.330 -6.656 -5.269 359 HG13 VAL 43 3HG1 VAL 43 0.580 -7.433 -6.662 360 HG21 VAL 43 3HG2 VAL 43 2.969 -10.250 -6.869 361 HG22 VAL 43 1HG2 VAL 43 3.110 -8.761 -7.801 362 HG23 VAL 43 2HG2 VAL 43 1.533 -9.524 -7.595 363 H VAL 44 H VAL 44 4.816 -8.381 -2.910 364 HA VAL 44 HA VAL 44 4.341 -11.040 -2.174 365 HB VAL 44 HB VAL 44 5.799 -11.638 -4.071 366 HG11 VAL 44 1HG1 VAL 44 8.182 -11.087 -4.065 367 HG12 VAL 44 2HG1 VAL 44 7.956 -10.091 -2.628 368 HG13 VAL 44 3HG1 VAL 44 7.190 -9.633 -4.150 369 HG21 VAL 44 3HG2 VAL 44 5.752 -13.102 -2.118 370 HG22 VAL 44 1HG2 VAL 44 7.066 -12.184 -1.379 371 HG23 VAL 44 2HG2 VAL 44 7.353 -13.104 -2.857 372 H GLU 45 H GLU 45 5.013 -11.407 -0.053 373 HA GLU 45 HA GLU 45 6.045 -9.040 1.306 374 HB2 GLU 45 2HB GLU 45 5.339 -10.091 3.372 375 HB3 GLU 45 3HB GLU 45 4.034 -10.144 2.198 376 HG2 GLU 45 2HG GLU 45 5.868 -12.490 2.600 377 HG3 GLU 45 3HG GLU 45 4.484 -12.216 3.654 378 H ASN 46 H ASN 46 7.386 -9.718 3.430 379 HA ASN 46 HA ASN 46 9.959 -10.415 2.655 380 HB2 ASN 46 2HB ASN 46 8.685 -10.584 5.396 381 HB3 ASN 46 3HB ASN 46 10.415 -10.709 5.094 382 HD21 ASN 46 1HD2 ASN 46 10.835 -8.897 6.343 383 HD22 ASN 46 2HD2 ASN 46 10.469 -7.300 5.797 384 H THR 47 H THR 47 10.588 -12.285 1.804 385 HA THR 47 HA THR 47 9.724 -14.804 3.081 386 HB THR 47 HB THR 47 9.806 -15.895 0.835 387 HG1 THR 47 HG1 THR 47 9.572 -13.388 -0.406 388 HG21 THR 47 3HG2 THR 47 7.656 -15.213 1.791 389 HG22 THR 47 1HG2 THR 47 7.651 -15.025 0.039 390 HG23 THR 47 2HG2 THR 47 7.835 -13.611 1.076 391 H ALA 48 H ALA 48 11.283 -16.252 3.533 392 HA ALA 48 HA ALA 48 13.950 -15.962 2.329 393 HB1 ALA 48 3HB ALA 48 15.055 -16.095 4.495 394 HB2 ALA 48 1HB ALA 48 13.490 -16.148 5.311 395 HB3 ALA 48 2HB ALA 48 13.983 -14.695 4.442 396 H ASN 49 H ASN 49 15.027 -17.872 2.032 397 HA ASN 49 HA ASN 49 15.358 -20.088 1.729 398 HB2 ASN 49 2HB ASN 49 13.828 -20.386 4.326 399 HB3 ASN 49 3HB ASN 49 14.790 -21.646 3.557 400 HD21 ASN 49 1HD2 ASN 49 14.859 -18.745 5.420 401 HD22 ASN 49 2HD2 ASN 49 16.555 -18.748 5.741 402 HA PRO 50 HA PRO 50 11.721 -20.563 -0.850 403 HB2 PRO 50 2HB PRO 50 13.188 -23.061 -1.592 404 HB3 PRO 50 3HB PRO 50 12.466 -21.827 -2.632 405 HG2 PRO 50 2HG PRO 50 15.096 -21.897 -2.274 406 HG3 PRO 50 3HG PRO 50 14.236 -20.346 -2.324 407 HD2 PRO 50 2HD PRO 50 15.334 -21.829 0.029 408 HD3 PRO 50 3HD PRO 50 15.276 -20.081 -0.279 409 H HIS 51 H HIS 51 10.052 -21.048 0.609 410 HA HIS 51 HA HIS 51 9.610 -23.944 1.000 411 HB2 HIS 51 2HB HIS 51 8.346 -23.415 3.081 412 HB3 HIS 51 3HB HIS 51 10.055 -23.017 3.173 413 HD1 HIS 51 HD1 HIS 51 10.667 -20.460 3.188 414 HD2 HIS 51 HD2 HIS 51 6.607 -21.292 3.465 415 HE1 HIS 51 HE1 HIS 51 9.597 -18.325 3.947 416 HE2 HIS 51 HE2 HIS 51 7.173 -18.900 4.276 417 H PHE 52 H PHE 52 8.620 -23.699 -1.158 418 HA PHE 52 HA PHE 52 6.792 -23.796 -2.504 419 HB2 PHE 52 2HB PHE 52 6.129 -25.292 -0.595 420 HB3 PHE 52 3HB PHE 52 5.239 -23.942 0.094 421 HD1 PHE 52 HD2 PHE 52 5.495 -25.920 -3.066 422 HD2 PHE 52 HD1 PHE 52 2.983 -23.733 -0.405 423 HE1 PHE 52 HE2 PHE 52 3.526 -26.566 -4.392 424 HE2 PHE 52 HE1 PHE 52 1.015 -24.377 -1.728 425 HZ PHE 52 HZ PHE 52 1.282 -25.792 -3.723 426 H VAL 53 H VAL 53 7.579 -21.031 -1.358 427 HA VAL 53 HA VAL 53 5.050 -19.637 -1.182 428 HB VAL 53 HB VAL 53 7.855 -18.509 -1.182 429 HG11 VAL 53 1HG1 VAL 53 6.799 -16.466 -0.291 430 HG12 VAL 53 2HG1 VAL 53 5.209 -17.190 -0.538 431 HG13 VAL 53 3HG1 VAL 53 6.246 -16.841 -1.922 432 HG21 VAL 53 3HG2 VAL 53 7.518 -18.273 1.239 433 HG22 VAL 53 1HG2 VAL 53 7.422 -19.960 0.738 434 HG23 VAL 53 2HG2 VAL 53 5.947 -19.062 1.098 435 H ARG 54 H ARG 54 3.953 -19.423 -3.020 436 HA ARG 54 HA ARG 54 5.142 -17.621 -5.020 437 HB2 ARG 54 2HB ARG 54 5.028 -19.980 -5.922 438 HB3 ARG 54 3HB ARG 54 3.278 -19.903 -5.750 439 HG2 ARG 54 2HG ARG 54 3.167 -18.082 -7.350 440 HG3 ARG 54 3HG ARG 54 4.927 -18.040 -7.468 441 HD2 ARG 54 2HD ARG 54 3.159 -20.360 -8.260 442 HD3 ARG 54 3HD ARG 54 3.904 -19.209 -9.369 443 HE ARG 54 HE ARG 54 5.667 -20.736 -7.611 444 HH11 ARG 54 1HH1 ARG 54 4.393 -20.225 -10.772 445 HH12 ARG 54 2HH1 ARG 54 5.604 -21.198 -11.536 446 HH21 ARG 54 1HH2 ARG 54 7.226 -21.950 -8.598 447 HH22 ARG 54 2HH2 ARG 54 7.212 -22.140 -10.321 448 H ARG 55 H ARG 55 3.505 -17.283 -2.646 449 HA ARG 55 HA ARG 55 0.795 -16.737 -3.470 450 HB2 ARG 55 2HB ARG 55 1.249 -17.578 -1.234 451 HB3 ARG 55 3HB ARG 55 2.289 -16.207 -0.892 452 HG2 ARG 55 2HG ARG 55 0.360 -14.707 -0.991 453 HG3 ARG 55 3HG ARG 55 -0.690 -16.078 -1.364 454 HD2 ARG 55 2HD ARG 55 -0.242 -17.081 0.772 455 HD3 ARG 55 3HD ARG 55 0.999 -15.883 1.128 456 HE ARG 55 HE ARG 55 -0.861 -14.223 1.141 457 HH11 ARG 55 1HH1 ARG 55 -1.502 -17.554 1.747 458 HH12 ARG 55 2HH1 ARG 55 -2.863 -17.228 2.763 459 HH21 ARG 55 1HH2 ARG 55 -2.594 -13.817 2.472 460 HH22 ARG 55 2HH2 ARG 55 -3.486 -15.125 3.154 461 H ASN 56 H ASN 56 1.579 -15.255 -5.231 462 HA ASN 56 HA ASN 56 2.401 -12.588 -4.373 463 HB2 ASN 56 2HB ASN 56 1.790 -13.631 -7.154 464 HB3 ASN 56 3HB ASN 56 2.552 -12.090 -6.769 465 HD21 ASN 56 1HD2 ASN 56 4.656 -12.118 -5.839 466 HD22 ASN 56 2HD2 ASN 56 5.703 -13.471 -6.084 467 H ILE 57 H ILE 57 -0.304 -13.753 -3.742 468 HA ILE 57 HA ILE 57 -2.169 -12.152 -5.296 469 HB ILE 57 HB ILE 57 -2.667 -13.971 -2.922 470 HG12 ILE 57 2HG1 ILE 57 -3.075 -14.447 -5.893 471 HG13 ILE 57 3HG1 ILE 57 -1.802 -15.160 -4.908 472 HG21 ILE 57 1HG2 ILE 57 -5.035 -13.866 -3.564 473 HG22 ILE 57 2HG2 ILE 57 -4.640 -12.707 -4.834 474 HG23 ILE 57 3HG2 ILE 57 -4.411 -12.270 -3.141 475 HD11 ILE 57 3HD1 ILE 57 -3.502 -16.323 -3.582 476 HD12 ILE 57 1HD1 ILE 57 -3.577 -16.748 -5.292 477 HD13 ILE 57 2HD1 ILE 57 -4.759 -15.631 -4.610 478 H ILE 58 H ILE 58 -2.943 -10.207 -4.711 479 HA ILE 58 HA ILE 58 -1.937 -8.816 -2.439 480 HB ILE 58 HB ILE 58 -4.219 -8.055 -4.287 481 HG12 ILE 58 2HG1 ILE 58 -1.278 -7.302 -4.348 482 HG13 ILE 58 3HG1 ILE 58 -2.082 -8.390 -5.473 483 HG21 ILE 58 1HG2 ILE 58 -3.819 -5.759 -3.513 484 HG22 ILE 58 2HG2 ILE 58 -2.614 -6.356 -2.373 485 HG23 ILE 58 3HG2 ILE 58 -4.305 -6.816 -2.187 486 HD11 ILE 58 3HD1 ILE 58 -1.737 -6.207 -6.455 487 HD12 ILE 58 1HD1 ILE 58 -2.643 -5.450 -5.145 488 HD13 ILE 58 2HD1 ILE 58 -3.460 -6.536 -6.271 489 H THR 59 H THR 59 -2.520 -9.684 -0.511 490 HA THR 59 HA THR 59 -5.379 -9.627 0.216 491 HB THR 59 HB THR 59 -4.904 -11.966 -0.152 492 HG1 THR 59 HG1 THR 59 -5.124 -12.725 2.119 493 HG21 THR 59 3HG2 THR 59 -2.460 -11.892 0.006 494 HG22 THR 59 1HG2 THR 59 -3.122 -13.154 1.046 495 HG23 THR 59 2HG2 THR 59 -2.573 -11.631 1.746 496 H ARG 60 H ARG 60 -5.730 -9.540 2.593 497 HA ARG 60 HA ARG 60 -4.281 -7.426 3.719 498 HB2 ARG 60 2HB ARG 60 -6.597 -7.951 4.352 499 HB3 ARG 60 3HB ARG 60 -6.051 -9.425 5.146 500 HG2 ARG 60 2HG ARG 60 -4.787 -8.130 6.762 501 HG3 ARG 60 3HG ARG 60 -5.214 -6.631 5.935 502 HD2 ARG 60 2HD ARG 60 -6.607 -6.913 7.893 503 HD3 ARG 60 3HD ARG 60 -7.593 -7.065 6.439 504 HE ARG 60 HE ARG 60 -6.759 -9.622 7.229 505 HH11 ARG 60 1HH1 ARG 60 -8.828 -7.087 8.305 506 HH12 ARG 60 2HH1 ARG 60 -9.900 -8.166 9.132 507 HH21 ARG 60 1HH2 ARG 60 -8.119 -10.986 8.302 508 HH22 ARG 60 2HH2 ARG 60 -9.493 -10.347 9.137 509 H GLY 61 H GLY 61 -2.460 -7.298 4.858 510 HA2 GLY 61 2HA GLY 61 -0.931 -8.068 6.546 511 HA3 GLY 61 3HA GLY 61 -1.377 -9.721 6.158 512 H ALA 62 H ALA 62 -1.177 -8.951 3.208 513 HA ALA 62 HA ALA 62 1.579 -9.711 2.864 514 HB1 ALA 62 3HB ALA 62 -0.463 -8.924 0.779 515 HB2 ALA 62 1HB ALA 62 -0.211 -10.557 1.396 516 HB3 ALA 62 2HB ALA 62 1.066 -9.750 0.489 517 H VAL 63 H VAL 63 3.204 -8.523 1.763 518 HA VAL 63 HA VAL 63 2.867 -5.596 1.907 519 HB VAL 63 HB VAL 63 5.445 -7.190 1.907 520 HG11 VAL 63 1HG1 VAL 63 6.511 -5.068 2.531 521 HG12 VAL 63 2HG1 VAL 63 4.961 -4.242 2.375 522 HG13 VAL 63 3HG1 VAL 63 5.725 -4.959 0.955 523 HG21 VAL 63 3HG2 VAL 63 4.174 -7.565 3.961 524 HG22 VAL 63 1HG2 VAL 63 4.017 -5.824 4.197 525 HG23 VAL 63 2HG2 VAL 63 5.606 -6.587 4.282 526 H VAL 64 H VAL 64 2.522 -4.657 -0.012 527 HA VAL 64 HA VAL 64 3.764 -5.806 -2.426 528 HB VAL 64 HB VAL 64 2.208 -4.408 -3.723 529 HG11 VAL 64 1HG1 VAL 64 1.525 -6.669 -3.125 530 HG12 VAL 64 2HG1 VAL 64 0.130 -5.590 -3.151 531 HG13 VAL 64 3HG1 VAL 64 0.836 -6.081 -1.610 532 HG21 VAL 64 3HG2 VAL 64 0.388 -3.187 -2.613 533 HG22 VAL 64 1HG2 VAL 64 1.967 -2.536 -2.173 534 HG23 VAL 64 2HG2 VAL 64 1.092 -3.564 -1.040 535 H GLU 65 H GLU 65 5.225 -4.649 -3.640 536 HA GLU 65 HA GLU 65 6.333 -2.278 -2.351 537 HB2 GLU 65 2HB GLU 65 7.921 -4.007 -2.961 538 HB3 GLU 65 3HB GLU 65 7.389 -3.952 -4.637 539 HG2 GLU 65 2HG GLU 65 8.391 -1.884 -5.025 540 HG3 GLU 65 3HG GLU 65 8.497 -1.500 -3.310 541 H THR 66 H THR 66 5.488 -0.415 -2.876 542 HA THR 66 HA THR 66 4.619 0.118 -5.643 543 HB THR 66 HB THR 66 3.376 2.001 -4.786 544 HG1 THR 66 HG1 THR 66 4.302 1.425 -2.155 545 HG21 THR 66 3HG2 THR 66 3.023 -0.385 -2.957 546 HG22 THR 66 1HG2 THR 66 2.264 -0.156 -4.532 547 HG23 THR 66 2HG2 THR 66 1.846 0.906 -3.187 548 H ASN 67 H ASN 67 5.025 2.428 -6.378 549 HA ASN 67 HA ASN 67 7.739 3.040 -6.509 550 HB2 ASN 67 2HB ASN 67 6.994 5.280 -7.352 551 HB3 ASN 67 3HB ASN 67 6.223 3.920 -8.160 552 HD21 ASN 67 1HD2 ASN 67 5.378 6.726 -7.802 553 HD22 ASN 67 2HD2 ASN 67 3.810 6.640 -7.082 554 H LEU 68 H LEU 68 5.318 4.075 -4.176 555 HA LEU 68 HA LEU 68 6.994 6.075 -2.942 556 HB2 LEU 68 2HB LEU 68 4.445 4.818 -1.905 557 HB3 LEU 68 3HB LEU 68 5.183 6.304 -1.326 558 HG LEU 68 HG LEU 68 3.974 5.882 -4.068 559 HD11 LEU 68 1HD1 LEU 68 2.253 7.432 -3.301 560 HD12 LEU 68 2HD1 LEU 68 3.015 7.511 -1.713 561 HD13 LEU 68 3HD1 LEU 68 2.307 5.995 -2.279 562 HD21 LEU 68 3HD2 LEU 68 5.164 8.365 -2.822 563 HD22 LEU 68 1HD2 LEU 68 4.326 8.289 -4.373 564 HD23 LEU 68 2HD2 LEU 68 5.856 7.437 -4.154 565 H GLY 69 H GLY 69 6.730 2.681 -2.685 566 HA2 GLY 69 2HA GLY 69 8.724 1.808 -1.353 567 HA3 GLY 69 3HA GLY 69 8.009 2.687 -0.013 568 H ASN 70 H ASN 70 8.027 0.590 1.082 569 HA ASN 70 HA ASN 70 6.451 -1.594 0.146 570 HB2 ASN 70 2HB ASN 70 7.323 -0.985 2.983 571 HB3 ASN 70 3HB ASN 70 6.762 -2.539 2.383 572 HD21 ASN 70 1HD2 ASN 70 8.258 -2.182 -0.161 573 HD22 ASN 70 2HD2 ASN 70 9.901 -2.494 0.247 574 H VAL 71 H VAL 71 4.307 -2.045 0.423 575 HA VAL 71 HA VAL 71 2.753 -0.358 2.287 576 HB VAL 71 HB VAL 71 1.930 -1.142 -0.521 577 HG11 VAL 71 1HG1 VAL 71 0.017 -1.239 0.991 578 HG12 VAL 71 2HG1 VAL 71 -0.122 0.135 -0.103 579 HG13 VAL 71 3HG1 VAL 71 0.373 0.389 1.571 580 HG21 VAL 71 3HG2 VAL 71 3.508 0.718 -0.483 581 HG22 VAL 71 1HG2 VAL 71 2.499 1.569 0.687 582 HG23 VAL 71 2HG2 VAL 71 1.901 1.278 -0.946 583 H ARG 72 H ARG 72 1.588 -1.510 3.703 584 HA ARG 72 HA ARG 72 1.280 -4.391 3.331 585 HB2 ARG 72 2HB ARG 72 2.054 -3.394 5.507 586 HB3 ARG 72 3HB ARG 72 0.460 -2.693 5.704 587 HG2 ARG 72 2HG ARG 72 -0.535 -4.908 5.793 588 HG3 ARG 72 3HG ARG 72 1.039 -5.652 5.495 589 HD2 ARG 72 2HD ARG 72 0.343 -3.939 7.888 590 HD3 ARG 72 3HD ARG 72 0.398 -5.702 7.883 591 HE ARG 72 HE ARG 72 2.828 -5.406 7.262 592 HH11 ARG 72 1HH1 ARG 72 1.141 -3.055 9.142 593 HH12 ARG 72 2HH1 ARG 72 2.583 -2.475 9.897 594 HH21 ARG 72 1HH2 ARG 72 4.650 -4.664 8.255 595 HH22 ARG 72 2HH2 ARG 72 4.540 -3.376 9.407 596 H VAL 73 H VAL 73 -0.497 -5.190 2.400 597 HA VAL 73 HA VAL 73 -2.749 -3.600 1.729 598 HB VAL 73 HB VAL 73 -2.541 -6.622 1.685 599 HG11 VAL 73 1HG1 VAL 73 -4.349 -4.743 0.153 600 HG12 VAL 73 2HG1 VAL 73 -4.838 -5.822 1.460 601 HG13 VAL 73 3HG1 VAL 73 -4.261 -6.490 -0.065 602 HG21 VAL 73 3HG2 VAL 73 -0.693 -5.596 0.450 603 HG22 VAL 73 1HG2 VAL 73 -1.838 -4.617 -0.467 604 HG23 VAL 73 2HG2 VAL 73 -1.832 -6.370 -0.653 605 H THR 74 H THR 74 -4.694 -3.312 2.697 606 HA THR 74 HA THR 74 -5.148 -4.638 5.307 607 HB THR 74 HB THR 74 -6.572 -2.706 5.887 608 HG1 THR 74 HG1 THR 74 -7.188 -1.360 4.374 609 HG21 THR 74 3HG2 THR 74 -4.206 -2.623 6.487 610 HG22 THR 74 1HG2 THR 74 -4.789 -1.012 6.063 611 HG23 THR 74 2HG2 THR 74 -3.814 -1.930 4.912 612 H SER 75 H SER 75 -6.912 -3.390 2.472 613 HA SER 75 HA SER 75 -9.198 -5.117 3.173 614 HB2 SER 75 2HB SER 75 -9.706 -2.728 2.876 615 HB3 SER 75 3HB SER 75 -9.057 -2.786 1.238 616 HG SER 75 HG SER 75 -11.222 -3.032 1.025 617 H ARG 76 H ARG 76 -10.480 -5.592 0.914 618 HA ARG 76 HA ARG 76 -8.786 -7.486 -0.464 619 HB2 ARG 76 2HB ARG 76 -11.717 -6.796 -0.670 620 HB3 ARG 76 3HB ARG 76 -10.950 -7.906 -1.793 621 HG2 ARG 76 2HG ARG 76 -12.033 -9.195 -0.120 622 HG3 ARG 76 3HG ARG 76 -10.298 -9.326 0.147 623 HD2 ARG 76 2HD ARG 76 -10.395 -7.820 2.005 624 HD3 ARG 76 3HD ARG 76 -12.073 -7.400 1.650 625 HE ARG 76 HE ARG 76 -11.981 -10.145 2.048 626 HH11 ARG 76 1HH1 ARG 76 -11.362 -7.321 3.953 627 HH12 ARG 76 2HH1 ARG 76 -11.926 -8.069 5.401 628 HH21 ARG 76 1HH2 ARG 76 -12.668 -11.062 3.901 629 HH22 ARG 76 2HH2 ARG 76 -12.630 -10.171 5.381 630 HA PRO 77 HA PRO 77 -7.780 -4.834 -3.921 631 HB2 PRO 77 2HB PRO 77 -7.102 -6.715 -5.758 632 HB3 PRO 77 3HB PRO 77 -6.073 -6.319 -4.375 633 HG2 PRO 77 2HG PRO 77 -8.002 -8.595 -4.714 634 HG3 PRO 77 3HG PRO 77 -6.355 -8.613 -4.053 635 HD2 PRO 77 2HD PRO 77 -8.560 -8.599 -2.473 636 HD3 PRO 77 3HD PRO 77 -7.039 -7.819 -1.990 637 H GLY 78 H GLY 78 -10.469 -6.851 -3.810 638 HA2 GLY 78 2HA GLY 78 -11.433 -5.919 -6.450 639 HA3 GLY 78 3HA GLY 78 -11.922 -7.431 -5.705 640 H GLN 79 H GLN 79 -11.656 -4.524 -3.769 641 HA GLN 79 HA GLN 79 -14.442 -4.607 -3.084 642 HB2 GLN 79 2HB GLN 79 -12.317 -2.527 -2.494 643 HB3 GLN 79 3HB GLN 79 -13.945 -2.496 -1.828 644 HG2 GLN 79 2HG GLN 79 -11.893 -4.658 -1.374 645 HG3 GLN 79 3HG GLN 79 -12.333 -3.390 -0.234 646 HE21 GLN 79 1HE2 GLN 79 -14.344 -3.489 0.793 647 HE22 GLN 79 2HE2 GLN 79 -15.266 -4.946 0.848 648 H ASP 80 H ASP 80 -15.552 -4.366 -5.026 649 HA ASP 80 HA ASP 80 -16.604 -3.348 -6.741 650 HB2 ASP 80 2HB ASP 80 -16.802 -1.555 -4.791 651 HB3 ASP 80 3HB ASP 80 -15.774 -0.612 -5.864 652 H GLY 81 H GLY 81 -13.897 -1.070 -6.273 653 HA2 GLY 81 2HA GLY 81 -12.420 -2.186 -8.487 654 HA3 GLY 81 3HA GLY 81 -13.146 -0.627 -8.852 655 H VAL 82 H VAL 82 -12.025 -1.389 -5.620 656 HA VAL 82 HA VAL 82 -9.747 0.455 -5.990 657 HB VAL 82 HB VAL 82 -11.580 1.745 -5.054 658 HG11 VAL 82 1HG1 VAL 82 -12.568 1.204 -2.871 659 HG12 VAL 82 2HG1 VAL 82 -11.652 -0.302 -2.833 660 HG13 VAL 82 3HG1 VAL 82 -12.887 -0.054 -4.069 661 HG21 VAL 82 3HG2 VAL 82 -9.329 2.293 -4.283 662 HG22 VAL 82 1HG2 VAL 82 -9.489 1.146 -2.952 663 HG23 VAL 82 2HG2 VAL 82 -10.512 2.582 -3.008 664 H ILE 83 H ILE 83 -7.969 0.175 -4.621 665 HA ILE 83 HA ILE 83 -7.962 -2.219 -2.876 666 HB ILE 83 HB ILE 83 -5.564 -1.148 -4.391 667 HG12 ILE 83 2HG1 ILE 83 -7.299 -3.542 -5.071 668 HG13 ILE 83 3HG1 ILE 83 -7.261 -2.031 -5.971 669 HG21 ILE 83 1HG2 ILE 83 -5.982 -3.746 -2.901 670 HG22 ILE 83 2HG2 ILE 83 -5.023 -2.375 -2.340 671 HG23 ILE 83 3HG2 ILE 83 -4.519 -3.278 -3.769 672 HD11 ILE 83 3HD1 ILE 83 -5.969 -3.696 -7.119 673 HD12 ILE 83 1HD1 ILE 83 -5.011 -4.009 -5.671 674 HD13 ILE 83 2HD1 ILE 83 -4.884 -2.453 -6.495 675 H ASN 84 H ASN 84 -6.982 -1.985 -0.836 676 HA ASN 84 HA ASN 84 -6.109 0.753 -0.117 677 HB2 ASN 84 2HB ASN 84 -7.775 -1.115 1.591 678 HB3 ASN 84 3HB ASN 84 -7.254 0.508 2.033 679 HD21 ASN 84 1HD2 ASN 84 -8.235 2.282 1.042 680 HD22 ASN 84 2HD2 ASN 84 -9.730 2.139 0.190 681 H GLY 85 H GLY 85 -4.374 0.977 1.270 682 HA2 GLY 85 2HA GLY 85 -3.338 -1.266 2.785 683 HA3 GLY 85 3HA GLY 85 -2.336 -0.819 1.414 684 H VAL 86 H VAL 86 -1.052 -0.671 3.694 685 HA VAL 86 HA VAL 86 -1.087 2.178 4.520 686 HB VAL 86 HB VAL 86 -0.009 -0.115 6.176 687 HG11 VAL 86 1HG1 VAL 86 -0.128 1.503 8.020 688 HG12 VAL 86 2HG1 VAL 86 -0.695 2.738 6.898 689 HG13 VAL 86 3HG1 VAL 86 0.925 2.065 6.724 690 HG21 VAL 86 3HG2 VAL 86 -2.727 1.189 6.375 691 HG22 VAL 86 1HG2 VAL 86 -2.052 0.030 7.522 692 HG23 VAL 86 2HG2 VAL 86 -2.393 -0.468 5.867 693 H LEU 87 H LEU 87 0.793 3.339 4.341 694 HA LEU 87 HA LEU 87 3.021 2.227 2.916 695 HB2 LEU 87 2HB LEU 87 2.277 4.594 2.709 696 HB3 LEU 87 3HB LEU 87 2.810 4.884 4.352 697 HG LEU 87 HG LEU 87 5.139 4.417 3.689 698 HD11 LEU 87 1HD1 LEU 87 4.687 2.843 1.865 699 HD12 LEU 87 2HD1 LEU 87 5.729 4.160 1.334 700 HD13 LEU 87 3HD1 LEU 87 4.022 4.156 0.892 701 HD21 LEU 87 3HD2 LEU 87 4.287 6.717 3.607 702 HD22 LEU 87 1HD2 LEU 87 3.784 6.472 1.932 703 HD23 LEU 87 2HD2 LEU 87 5.497 6.432 2.356 704 H ILE 88 H ILE 88 4.339 0.797 3.929 705 HA ILE 88 HA ILE 88 5.235 1.418 6.683 706 HB ILE 88 HB ILE 88 5.471 -0.949 7.126 707 HG12 ILE 88 2HG1 ILE 88 4.432 -1.390 4.310 708 HG13 ILE 88 3HG1 ILE 88 6.088 -1.652 4.836 709 HG21 ILE 88 1HG2 ILE 88 2.761 -0.311 5.946 710 HG22 ILE 88 2HG2 ILE 88 3.297 0.037 7.590 711 HG23 ILE 88 3HG2 ILE 88 3.106 -1.634 7.059 712 HD11 ILE 88 3HD1 ILE 88 4.746 -3.718 4.637 713 HD12 ILE 88 1HD1 ILE 88 3.721 -3.133 5.945 714 HD13 ILE 88 2HD1 ILE 88 5.426 -3.459 6.245 715 H ARG 89 H ARG 89 7.296 -0.169 7.089 716 HA ARG 89 HA ARG 89 9.160 0.052 4.832 717 HB2 ARG 89 2HB ARG 89 9.739 1.080 7.629 718 HB3 ARG 89 3HB ARG 89 10.930 0.932 6.346 719 HG2 ARG 89 2HG ARG 89 8.488 2.700 6.237 720 HG3 ARG 89 3HG ARG 89 10.115 3.236 6.650 721 HD2 ARG 89 2HD ARG 89 9.301 1.984 4.020 722 HD3 ARG 89 3HD ARG 89 9.533 3.709 4.296 723 HE ARG 89 HE ARG 89 11.864 2.274 5.018 724 HH11 ARG 89 1HH1 ARG 89 10.107 3.366 2.258 725 HH12 ARG 89 2HH1 ARG 89 11.511 3.395 1.251 726 HH21 ARG 89 1HH2 ARG 89 13.642 2.333 3.714 727 HH22 ARG 89 2HH2 ARG 89 13.479 2.802 2.054 728 H GLU 90 H GLU 90 9.044 -2.215 4.634 729 HA GLU 90 HA GLU 90 9.950 -3.882 6.844 730 HB2 GLU 90 2HB GLU 90 9.243 -4.585 3.984 731 HB3 GLU 90 3HB GLU 90 9.662 -5.753 5.232 732 HG2 GLU 90 2HG GLU 90 7.282 -3.904 5.264 733 HG3 GLU 90 3HG GLU 90 7.253 -5.626 4.890 734 H LEU 91 H LEU 91 11.076 -2.760 3.716 735 HA LEU 91 HA LEU 91 13.840 -3.299 4.535 736 HB2 LEU 91 2HB LEU 91 14.348 -4.011 2.182 737 HB3 LEU 91 3HB LEU 91 13.385 -5.138 3.115 738 HG LEU 91 HG LEU 91 11.361 -3.943 1.914 739 HD11 LEU 91 1HD1 LEU 91 11.882 -3.259 -0.374 740 HD12 LEU 91 2HD1 LEU 91 13.605 -3.425 -0.035 741 HD13 LEU 91 3HD1 LEU 91 12.654 -2.204 0.810 742 HD21 LEU 91 3HD2 LEU 91 13.156 -5.931 0.530 743 HD22 LEU 91 1HD2 LEU 91 11.457 -5.633 0.150 744 HD23 LEU 91 2HD2 LEU 91 11.907 -6.296 1.723 745 H GLU 92 H GLU 92 15.376 -1.828 3.661 746 HA GLU 92 HA GLU 92 14.253 0.767 3.156 747 HB2 GLU 92 2HB GLU 92 16.256 0.405 4.572 748 HB3 GLU 92 3HB GLU 92 17.155 -0.079 3.137 749 HG2 GLU 92 2HG GLU 92 16.888 2.132 2.182 750 HG3 GLU 92 3HG GLU 92 15.885 2.630 3.545 751 H HIS 93 H HIS 93 16.195 -1.513 1.232 752 HA HIS 93 HA HIS 93 15.233 -0.211 -1.211 753 HB2 HIS 93 2HB HIS 93 18.154 -0.749 -0.618 754 HB3 HIS 93 3HB HIS 93 17.529 -0.327 -2.207 755 HD1 HIS 93 HD1 HIS 93 19.170 1.194 0.485 756 HD2 HIS 93 HD2 HIS 93 15.971 2.303 -1.911 757 HE1 HIS 93 HE1 HIS 93 19.007 3.685 0.705 758 HE2 HIS 93 HE2 HIS 93 17.242 4.341 -0.963 759 H HIS 94 H HIS 94 14.534 -1.661 -2.650 760 HA HIS 94 HA HIS 94 14.655 -4.453 -2.096 761 HB2 HIS 94 2HB HIS 94 12.716 -3.411 -3.173 762 HB3 HIS 94 3HB HIS 94 13.696 -3.012 -4.577 763 HD1 HIS 94 HD1 HIS 94 14.351 -4.961 -6.159 764 HD2 HIS 94 HD2 HIS 94 11.829 -6.053 -3.042 765 HE1 HIS 94 HE1 HIS 94 13.485 -7.236 -6.762 766 HE2 HIS 94 HE2 HIS 94 12.154 -7.959 -4.759 767 H HIS 95 H HIS 95 16.836 -5.068 -2.124 768 HA HIS 95 HA HIS 95 17.826 -5.637 -4.832 769 HB2 HIS 95 2HB HIS 95 19.524 -4.518 -2.581 770 HB3 HIS 95 3HB HIS 95 20.176 -5.194 -4.070 771 HD1 HIS 95 HD1 HIS 95 19.592 -3.847 -6.304 772 HD2 HIS 95 HD2 HIS 95 18.716 -1.888 -2.748 773 HE1 HIS 95 HE1 HIS 95 19.235 -1.450 -6.934 774 HE2 HIS 95 HE2 HIS 95 18.466 -0.347 -4.813 775 H HIS 96 H HIS 96 19.935 -7.181 -4.431 776 HA HIS 96 HA HIS 96 18.816 -9.462 -2.972 777 HB2 HIS 96 2HB HIS 96 21.099 -9.350 -4.961 778 HB3 HIS 96 3HB HIS 96 20.445 -10.817 -4.240 779 HD1 HIS 96 HD1 HIS 96 19.894 -8.401 -6.972 780 HD2 HIS 96 HD2 HIS 96 17.815 -11.498 -5.142 781 HE1 HIS 96 HE1 HIS 96 18.002 -8.953 -8.529 782 HE2 HIS 96 HE2 HIS 96 16.671 -10.716 -7.326 783 H HIS 97 H HIS 97 19.369 -9.212 -0.846 784 HA HIS 97 HA HIS 97 22.255 -9.056 -0.224 785 HB2 HIS 97 2HB HIS 97 20.884 -7.166 0.646 786 HB3 HIS 97 3HB HIS 97 19.936 -8.317 1.581 787 HD1 HIS 97 HD1 HIS 97 21.002 -9.258 3.729 788 HD2 HIS 97 HD2 HIS 97 23.495 -6.693 1.615 789 HE1 HIS 97 HE1 HIS 97 22.925 -8.768 5.267 790 HE2 HIS 97 HE2 HIS 97 24.331 -7.089 4.029 791 H HIS 98 H HIS 98 23.095 -10.953 0.357 792 HA HIS 98 HA HIS 98 21.365 -13.114 1.268 793 HB2 HIS 98 2HB HIS 98 23.100 -13.476 -0.487 794 HB3 HIS 98 3HB HIS 98 24.344 -13.155 0.715 795 HD1 HIS 98 HD1 HIS 98 21.757 -15.717 -0.240 796 HD2 HIS 98 HD2 HIS 98 24.935 -15.283 2.402 797 HE1 HIS 98 HE1 HIS 98 22.155 -18.000 0.714 798 HE2 HIS 98 HE2 HIS 98 24.191 -17.748 2.162 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 0.521 30.522 -37.217 2 H2 GLY 1 2H GLY 1 0.215 29.084 -36.380 3 H3 GLY 1 3H GLY 1 1.579 29.216 -37.365 4 HA2 GLY 1 2HA GLY 1 2.158 29.399 -35.008 5 HA3 GLY 1 3HA GLY 1 2.578 30.832 -35.931 6 H ASP 2 H ASP 2 -0.722 30.049 -34.967 7 HA ASP 2 HA ASP 2 -0.688 32.417 -33.214 8 HB2 ASP 2 2HB ASP 2 -2.999 31.140 -34.696 9 HB3 ASP 2 3HB ASP 2 -3.135 32.532 -33.620 10 H ARG 3 H ARG 3 -1.186 32.242 -31.113 11 HA ARG 3 HA ARG 3 -1.222 29.559 -30.018 12 HB2 ARG 3 2HB ARG 3 -0.639 32.294 -29.006 13 HB3 ARG 3 3HB ARG 3 -1.204 31.121 -27.828 14 HG2 ARG 3 2HG ARG 3 1.305 31.379 -28.089 15 HG3 ARG 3 3HG ARG 3 0.668 29.739 -28.132 16 HD2 ARG 3 2HD ARG 3 2.415 30.155 -29.834 17 HD3 ARG 3 3HD ARG 3 0.874 29.664 -30.530 18 HE ARG 3 HE ARG 3 0.650 31.765 -31.475 19 HH11 ARG 3 1HH1 ARG 3 3.378 31.737 -29.388 20 HH12 ARG 3 2HH1 ARG 3 4.062 33.161 -30.085 21 HH21 ARG 3 1HH2 ARG 3 1.523 33.598 -32.365 22 HH22 ARG 3 2HH2 ARG 3 3.029 34.199 -31.765 23 H ARG 4 H ARG 4 -3.105 28.561 -29.869 24 HA ARG 4 HA ARG 4 -5.342 29.892 -28.499 25 HB2 ARG 4 2HB ARG 4 -5.572 28.281 -31.059 26 HB3 ARG 4 3HB ARG 4 -6.940 28.801 -30.081 27 HG2 ARG 4 2HG ARG 4 -6.447 31.117 -30.525 28 HG3 ARG 4 3HG ARG 4 -4.962 30.678 -31.372 29 HD2 ARG 4 2HD ARG 4 -6.248 29.554 -33.102 30 HD3 ARG 4 3HD ARG 4 -7.749 29.889 -32.236 31 HE ARG 4 HE ARG 4 -6.961 32.341 -32.575 32 HH11 ARG 4 1HH1 ARG 4 -6.578 29.779 -34.854 33 HH12 ARG 4 2HH1 ARG 4 -6.705 30.841 -36.210 34 HH21 ARG 4 1HH2 ARG 4 -7.104 33.669 -34.316 35 HH22 ARG 4 2HH2 ARG 4 -6.990 33.010 -35.915 36 H VAL 5 H VAL 5 -5.214 28.739 -26.621 37 HA VAL 5 HA VAL 5 -4.847 25.819 -26.775 38 HB VAL 5 HB VAL 5 -4.224 25.922 -24.399 39 HG11 VAL 5 1HG1 VAL 5 -2.690 27.900 -26.100 40 HG12 VAL 5 2HG1 VAL 5 -2.490 26.148 -26.126 41 HG13 VAL 5 3HG1 VAL 5 -2.079 27.059 -24.673 42 HG21 VAL 5 3HG2 VAL 5 -3.890 28.102 -23.304 43 HG22 VAL 5 1HG2 VAL 5 -5.584 27.823 -23.708 44 HG23 VAL 5 2HG2 VAL 5 -4.608 28.906 -24.699 45 H ARG 6 H ARG 6 -5.987 24.482 -25.132 46 HA ARG 6 HA ARG 6 -8.817 25.166 -25.094 47 HB2 ARG 6 2HB ARG 6 -7.352 22.661 -24.218 48 HB3 ARG 6 3HB ARG 6 -9.103 22.845 -24.235 49 HG2 ARG 6 2HG ARG 6 -9.063 23.142 -26.655 50 HG3 ARG 6 3HG ARG 6 -7.303 23.004 -26.652 51 HD2 ARG 6 2HD ARG 6 -7.478 20.723 -25.788 52 HD3 ARG 6 3HD ARG 6 -9.237 20.860 -25.757 53 HE ARG 6 HE ARG 6 -8.556 21.393 -28.344 54 HH11 ARG 6 1HH1 ARG 6 -7.888 18.775 -26.202 55 HH12 ARG 6 2HH1 ARG 6 -7.909 17.603 -27.474 56 HH21 ARG 6 1HH2 ARG 6 -8.559 19.885 -29.949 57 HH22 ARG 6 2HH2 ARG 6 -8.274 18.223 -29.567 58 H LEU 7 H LEU 7 -8.878 26.846 -23.560 59 HA LEU 7 HA LEU 7 -7.825 26.729 -20.957 60 HB2 LEU 7 2HB LEU 7 -9.158 28.644 -20.457 61 HB3 LEU 7 3HB LEU 7 -8.594 28.798 -22.107 62 HG LEU 7 HG LEU 7 -11.384 27.891 -21.345 63 HD11 LEU 7 1HD1 LEU 7 -10.444 30.609 -22.268 64 HD12 LEU 7 2HD1 LEU 7 -11.009 30.200 -20.647 65 HD13 LEU 7 3HD1 LEU 7 -12.120 30.121 -22.013 66 HD21 LEU 7 3HD2 LEU 7 -10.212 28.707 -24.010 67 HD22 LEU 7 1HD2 LEU 7 -11.913 28.360 -23.702 68 HD23 LEU 7 2HD2 LEU 7 -10.709 27.084 -23.538 69 H ILE 8 H ILE 8 -10.648 25.242 -22.282 70 HA ILE 8 HA ILE 8 -11.792 24.711 -19.642 71 HB ILE 8 HB ILE 8 -13.385 25.398 -21.313 72 HG12 ILE 8 2HG1 ILE 8 -14.962 23.471 -21.258 73 HG13 ILE 8 3HG1 ILE 8 -13.647 22.434 -20.720 74 HG21 ILE 8 1HG2 ILE 8 -13.830 24.095 -23.347 75 HG22 ILE 8 2HG2 ILE 8 -12.455 23.056 -22.974 76 HG23 ILE 8 3HG2 ILE 8 -12.196 24.764 -23.330 77 HD11 ILE 8 3HD1 ILE 8 -13.452 23.734 -18.670 78 HD12 ILE 8 1HD1 ILE 8 -15.087 23.108 -18.880 79 HD13 ILE 8 2HD1 ILE 8 -14.742 24.804 -19.220 80 H ARG 9 H ARG 9 -10.884 23.054 -18.574 81 HA ARG 9 HA ARG 9 -9.893 20.743 -20.080 82 HB2 ARG 9 2HB ARG 9 -8.960 20.107 -17.721 83 HB3 ARG 9 3HB ARG 9 -8.180 21.351 -18.680 84 HG2 ARG 9 2HG ARG 9 -8.235 22.142 -16.455 85 HG3 ARG 9 3HG ARG 9 -9.462 23.056 -17.328 86 HD2 ARG 9 2HD ARG 9 -11.211 21.665 -16.378 87 HD3 ARG 9 3HD ARG 9 -10.009 20.644 -15.592 88 HE ARG 9 HE ARG 9 -9.402 22.712 -14.300 89 HH11 ARG 9 1HH1 ARG 9 -12.560 22.275 -15.598 90 HH12 ARG 9 2HH1 ARG 9 -13.309 23.268 -14.398 91 HH21 ARG 9 1HH2 ARG 9 -10.371 23.954 -12.749 92 HH22 ARG 9 2HH2 ARG 9 -12.083 24.201 -12.792 93 H THR 10 H THR 10 -12.038 19.934 -20.560 94 HA THR 10 HA THR 10 -13.790 19.049 -18.485 95 HB THR 10 HB THR 10 -14.936 17.724 -20.264 96 HG1 THR 10 HG1 THR 10 -12.909 17.382 -21.492 97 HG21 THR 10 3HG2 THR 10 -15.554 20.062 -19.904 98 HG22 THR 10 1HG2 THR 10 -15.666 19.644 -21.614 99 HG23 THR 10 2HG2 THR 10 -14.295 20.583 -21.023 100 H ARG 11 H ARG 11 -12.417 17.892 -17.058 101 HA ARG 11 HA ARG 11 -11.928 15.103 -17.888 102 HB2 ARG 11 2HB ARG 11 -10.006 16.852 -16.322 103 HB3 ARG 11 3HB ARG 11 -9.813 15.119 -16.555 104 HG2 ARG 11 2HG ARG 11 -9.965 17.063 -18.850 105 HG3 ARG 11 3HG ARG 11 -8.449 16.629 -18.063 106 HD2 ARG 11 2HD ARG 11 -10.324 14.574 -19.232 107 HD3 ARG 11 3HD ARG 11 -9.047 15.344 -20.172 108 HE ARG 11 HE ARG 11 -7.769 14.387 -17.959 109 HH11 ARG 11 1HH1 ARG 11 -9.792 12.933 -20.343 110 HH12 ARG 11 2HH1 ARG 11 -8.944 11.427 -20.288 111 HH21 ARG 11 1HH2 ARG 11 -6.703 12.425 -17.911 112 HH22 ARG 11 2HH2 ARG 11 -7.250 11.140 -18.931 113 H GLY 12 H GLY 12 -12.797 13.659 -16.505 114 HA2 GLY 12 2HA GLY 12 -13.617 14.608 -13.819 115 HA3 GLY 12 3HA GLY 12 -14.473 13.387 -14.745 116 H GLY 13 H GLY 13 -13.816 11.258 -14.650 117 HA2 GLY 13 2HA GLY 13 -11.646 9.911 -14.163 118 HA3 GLY 13 3HA GLY 13 -11.799 10.656 -12.582 119 H ASN 14 H ASN 14 -13.526 8.579 -14.902 120 HA ASN 14 HA ASN 14 -14.887 7.288 -12.614 121 HB2 ASN 14 2HB ASN 14 -16.411 8.361 -14.254 122 HB3 ASN 14 3HB ASN 14 -15.753 7.328 -15.518 123 HD21 ASN 14 1HD2 ASN 14 -16.447 6.341 -12.201 124 HD22 ASN 14 2HD2 ASN 14 -17.701 5.234 -12.614 125 H THR 15 H THR 15 -14.092 5.348 -12.086 126 HA THR 15 HA THR 15 -12.803 3.693 -14.162 127 HB THR 15 HB THR 15 -12.560 3.473 -11.145 128 HG1 THR 15 HG1 THR 15 -10.937 4.820 -11.336 129 HG21 THR 15 3HG2 THR 15 -11.030 2.054 -13.338 130 HG22 THR 15 1HG2 THR 15 -12.264 1.318 -12.315 131 HG23 THR 15 2HG2 THR 15 -10.756 1.890 -11.603 132 H LYS 16 H LYS 16 -13.745 1.823 -14.788 133 HA LYS 16 HA LYS 16 -16.383 1.263 -13.640 134 HB2 LYS 16 2HB LYS 16 -15.124 0.332 -16.227 135 HB3 LYS 16 3HB LYS 16 -16.781 0.017 -15.730 136 HG2 LYS 16 2HG LYS 16 -17.248 2.424 -15.766 137 HG3 LYS 16 3HG LYS 16 -15.587 2.733 -16.277 138 HD2 LYS 16 2HD LYS 16 -17.099 2.776 -18.196 139 HD3 LYS 16 3HD LYS 16 -15.972 1.423 -18.320 140 HE2 LYS 16 2HE LYS 16 -18.227 0.732 -18.951 141 HE3 LYS 16 3HE LYS 16 -17.711 -0.097 -17.484 142 HZ1 LYS 16 3HZ LYS 16 -19.459 2.298 -17.553 143 HZ2 LYS 16 1HZ LYS 16 -19.021 1.420 -16.179 144 HZ3 LYS 16 2HZ LYS 16 -20.000 0.711 -17.358 145 H VAL 17 H VAL 17 -13.442 0.086 -12.929 146 HA VAL 17 HA VAL 17 -14.481 -2.551 -12.253 147 HB VAL 17 HB VAL 17 -13.546 -2.849 -14.510 148 HG11 VAL 17 1HG1 VAL 17 -10.909 -2.015 -13.287 149 HG12 VAL 17 2HG1 VAL 17 -11.854 -1.078 -14.447 150 HG13 VAL 17 3HG1 VAL 17 -11.152 -2.622 -14.928 151 HG21 VAL 17 3HG2 VAL 17 -13.493 -4.740 -12.971 152 HG22 VAL 17 1HG2 VAL 17 -11.936 -4.203 -12.337 153 HG23 VAL 17 2HG2 VAL 17 -12.066 -4.756 -14.006 154 H ARG 18 H ARG 18 -13.482 -3.527 -10.525 155 HA ARG 18 HA ARG 18 -12.038 -1.931 -8.707 156 HB2 ARG 18 2HB ARG 18 -11.643 -4.283 -7.572 157 HB3 ARG 18 3HB ARG 18 -13.227 -3.529 -7.582 158 HG2 ARG 18 2HG ARG 18 -13.463 -5.860 -8.074 159 HG3 ARG 18 3HG ARG 18 -13.853 -4.937 -9.519 160 HD2 ARG 18 2HD ARG 18 -12.538 -6.871 -10.122 161 HD3 ARG 18 3HD ARG 18 -11.590 -5.409 -10.394 162 HE ARG 18 HE ARG 18 -10.583 -5.965 -8.119 163 HH11 ARG 18 1HH1 ARG 18 -11.776 -8.397 -10.250 164 HH12 ARG 18 2HH1 ARG 18 -10.613 -9.562 -9.738 165 HH21 ARG 18 1HH2 ARG 18 -9.145 -7.486 -7.431 166 HH22 ARG 18 2HH2 ARG 18 -9.149 -9.060 -8.141 167 H LEU 19 H LEU 19 -10.888 -3.891 -11.301 168 HA LEU 19 HA LEU 19 -8.256 -2.944 -11.129 169 HB2 LEU 19 2HB LEU 19 -8.298 -4.552 -9.148 170 HB3 LEU 19 3HB LEU 19 -8.446 -5.852 -10.311 171 HG LEU 19 HG LEU 19 -6.112 -3.926 -10.330 172 HD11 LEU 19 1HD1 LEU 19 -6.195 -5.011 -8.147 173 HD12 LEU 19 2HD1 LEU 19 -4.834 -5.599 -9.103 174 HD13 LEU 19 3HD1 LEU 19 -6.283 -6.592 -8.926 175 HD21 LEU 19 3HD2 LEU 19 -4.983 -5.760 -11.531 176 HD22 LEU 19 1HD2 LEU 19 -6.403 -5.172 -12.396 177 HD23 LEU 19 2HD2 LEU 19 -6.483 -6.690 -11.501 178 H ALA 20 H ALA 20 -7.443 -3.074 -13.150 179 HA ALA 20 HA ALA 20 -7.652 -5.404 -14.788 180 HB1 ALA 20 3HB ALA 20 -9.270 -3.009 -15.675 181 HB2 ALA 20 1HB ALA 20 -9.930 -4.543 -15.107 182 HB3 ALA 20 2HB ALA 20 -8.996 -4.486 -16.601 183 H SER 21 H SER 21 -5.646 -5.413 -15.530 184 HA SER 21 HA SER 21 -3.836 -4.977 -16.804 185 HB2 SER 21 2HB SER 21 -3.853 -3.377 -18.563 186 HB3 SER 21 3HB SER 21 -5.499 -3.984 -18.431 187 HG SER 21 HG SER 21 -6.158 -2.087 -17.626 188 H ASP 22 H ASP 22 -4.977 -2.077 -15.104 189 HA ASP 22 HA ASP 22 -2.190 -1.285 -14.617 190 HB2 ASP 22 2HB ASP 22 -3.787 0.365 -15.631 191 HB3 ASP 22 3HB ASP 22 -4.723 0.310 -14.142 192 H THR 23 H THR 23 -1.304 -1.630 -12.666 193 HA THR 23 HA THR 23 -3.050 -2.550 -10.468 194 HB THR 23 HB THR 23 -0.076 -2.977 -10.875 195 HG1 THR 23 HG1 THR 23 -1.236 -4.195 -12.359 196 HG21 THR 23 3HG2 THR 23 -1.931 -4.274 -8.868 197 HG22 THR 23 1HG2 THR 23 -0.788 -2.982 -8.494 198 HG23 THR 23 2HG2 THR 23 -0.194 -4.549 -9.041 199 H ARG 24 H ARG 24 -3.479 -1.033 -8.968 200 HA ARG 24 HA ARG 24 -1.286 0.584 -7.885 201 HB2 ARG 24 2HB ARG 24 -3.929 1.788 -8.757 202 HB3 ARG 24 3HB ARG 24 -2.633 2.642 -7.931 203 HG2 ARG 24 2HG ARG 24 -1.164 2.211 -9.886 204 HG3 ARG 24 3HG ARG 24 -2.542 1.477 -10.711 205 HD2 ARG 24 2HD ARG 24 -3.767 3.624 -10.464 206 HD3 ARG 24 3HD ARG 24 -2.311 4.339 -9.766 207 HE ARG 24 HE ARG 24 -2.206 3.157 -12.450 208 HH11 ARG 24 1HH1 ARG 24 -1.966 5.924 -10.415 209 HH12 ARG 24 2HH1 ARG 24 -1.341 6.931 -11.671 210 HH21 ARG 24 1HH2 ARG 24 -1.402 4.455 -14.050 211 HH22 ARG 24 2HH2 ARG 24 -1.048 6.113 -13.716 212 H ILE 25 H ILE 25 -2.054 1.804 -5.863 213 HA ILE 25 HA ILE 25 -4.226 0.504 -4.407 214 HB ILE 25 HB ILE 25 -2.361 -1.008 -3.998 215 HG12 ILE 25 2HG1 ILE 25 -2.841 0.706 -1.540 216 HG13 ILE 25 3HG1 ILE 25 -3.954 -0.521 -2.135 217 HG21 ILE 25 1HG2 ILE 25 -0.523 0.537 -4.454 218 HG22 ILE 25 2HG2 ILE 25 -0.299 -0.272 -2.903 219 HG23 ILE 25 3HG2 ILE 25 -0.862 1.400 -2.953 220 HD11 ILE 25 3HD1 ILE 25 -2.617 -1.325 -0.266 221 HD12 ILE 25 1HD1 ILE 25 -1.142 -1.021 -1.182 222 HD13 ILE 25 2HD1 ILE 25 -2.286 -2.243 -1.735 223 H ASN 26 H ASN 26 -5.031 1.727 -2.694 224 HA ASN 26 HA ASN 26 -4.170 4.479 -2.477 225 HB2 ASN 26 2HB ASN 26 -6.320 2.886 -1.062 226 HB3 ASN 26 3HB ASN 26 -5.969 4.565 -0.669 227 HD21 ASN 26 1HD2 ASN 26 -5.772 3.325 -3.935 228 HD22 ASN 26 2HD2 ASN 26 -7.148 4.178 -4.535 229 H VAL 27 H VAL 27 -2.302 4.823 -1.459 230 HA VAL 27 HA VAL 27 -1.476 3.178 0.798 231 HB VAL 27 HB VAL 27 0.012 5.446 -0.546 232 HG11 VAL 27 1HG1 VAL 27 2.005 4.406 0.448 233 HG12 VAL 27 2HG1 VAL 27 0.978 3.223 1.259 234 HG13 VAL 27 3HG1 VAL 27 0.857 4.932 1.680 235 HG21 VAL 27 3HG2 VAL 27 1.218 3.690 -1.781 236 HG22 VAL 27 1HG2 VAL 27 -0.500 3.719 -2.177 237 HG23 VAL 27 2HG2 VAL 27 0.136 2.477 -1.098 238 H VAL 28 H VAL 28 -1.816 3.750 2.845 239 HA VAL 28 HA VAL 28 -2.341 6.580 3.505 240 HB VAL 28 HB VAL 28 -2.978 4.143 5.188 241 HG11 VAL 28 1HG1 VAL 28 -4.404 5.684 6.463 242 HG12 VAL 28 2HG1 VAL 28 -3.878 7.020 5.440 243 HG13 VAL 28 3HG1 VAL 28 -2.717 6.199 6.485 244 HG21 VAL 28 3HG2 VAL 28 -4.274 4.066 3.133 245 HG22 VAL 28 1HG2 VAL 28 -4.800 5.734 3.376 246 HG23 VAL 28 2HG2 VAL 28 -5.317 4.472 4.495 247 H ASP 29 H ASP 29 -0.628 7.630 4.355 248 HA ASP 29 HA ASP 29 1.605 6.318 5.570 249 HB2 ASP 29 2HB ASP 29 1.639 8.557 4.387 250 HB3 ASP 29 3HB ASP 29 0.850 9.243 5.800 251 HA PRO 30 HA PRO 30 -0.427 5.776 9.531 252 HB2 PRO 30 2HB PRO 30 1.720 4.845 10.935 253 HB3 PRO 30 3HB PRO 30 0.810 3.859 9.787 254 HG2 PRO 30 2HG PRO 30 3.404 5.309 9.390 255 HG3 PRO 30 3HG PRO 30 2.949 3.673 8.876 256 HD2 PRO 30 2HD PRO 30 2.934 5.781 7.176 257 HD3 PRO 30 3HD PRO 30 1.778 4.438 7.035 258 H GLU 31 H GLU 31 2.536 7.677 9.166 259 HA GLU 31 HA GLU 31 2.238 8.812 11.837 260 HB2 GLU 31 2HB GLU 31 4.357 9.319 9.743 261 HB3 GLU 31 3HB GLU 31 4.376 9.942 11.388 262 HG2 GLU 31 2HG GLU 31 4.307 7.523 12.154 263 HG3 GLU 31 3HG GLU 31 4.640 7.086 10.481 264 H THR 32 H THR 32 2.135 9.988 8.455 265 HA THR 32 HA THR 32 1.329 12.643 9.432 266 HB THR 32 HB THR 32 1.702 13.517 7.248 267 HG1 THR 32 HG1 THR 32 1.298 12.317 5.573 268 HG21 THR 32 3HG2 THR 32 4.031 12.846 6.775 269 HG22 THR 32 1HG2 THR 32 3.840 11.476 7.869 270 HG23 THR 32 2HG2 THR 32 3.751 13.123 8.493 271 H GLY 33 H GLY 33 -0.026 9.846 7.851 272 HA2 GLY 33 2HA GLY 33 -2.279 9.322 7.617 273 HA3 GLY 33 3HA GLY 33 -2.688 10.942 8.151 274 H LYS 34 H LYS 34 -0.455 10.641 5.502 275 HA LYS 34 HA LYS 34 -2.324 11.907 3.702 276 HB2 LYS 34 2HB LYS 34 -0.517 12.025 2.117 277 HB3 LYS 34 3HB LYS 34 0.142 12.408 3.701 278 HG2 LYS 34 2HG LYS 34 1.101 10.193 3.877 279 HG3 LYS 34 3HG LYS 34 0.353 9.713 2.356 280 HD2 LYS 34 2HD LYS 34 2.608 10.191 1.835 281 HD3 LYS 34 3HD LYS 34 1.687 11.585 1.268 282 HE2 LYS 34 2HE LYS 34 3.696 12.339 2.376 283 HE3 LYS 34 3HE LYS 34 2.295 12.785 3.347 284 HZ1 LYS 34 3HZ LYS 34 4.179 11.857 4.635 285 HZ2 LYS 34 1HZ LYS 34 3.965 10.379 3.845 286 HZ3 LYS 34 2HZ LYS 34 2.743 10.991 4.840 287 H VAL 35 H VAL 35 -3.504 10.985 2.087 288 HA VAL 35 HA VAL 35 -3.195 8.073 1.655 289 HB VAL 35 HB VAL 35 -5.728 9.707 1.337 290 HG11 VAL 35 1HG1 VAL 35 -5.252 6.725 1.146 291 HG12 VAL 35 2HG1 VAL 35 -5.676 7.809 -0.181 292 HG13 VAL 35 3HG1 VAL 35 -6.834 7.509 1.114 293 HG21 VAL 35 3HG2 VAL 35 -6.528 8.529 3.343 294 HG22 VAL 35 1HG2 VAL 35 -5.103 9.509 3.692 295 HG23 VAL 35 2HG2 VAL 35 -4.949 7.761 3.520 296 H GLU 36 H GLU 36 -1.992 7.901 -0.165 297 HA GLU 36 HA GLU 36 -2.869 9.406 -2.556 298 HB2 GLU 36 2HB GLU 36 -0.769 10.336 -1.671 299 HB3 GLU 36 3HB GLU 36 -0.023 8.747 -1.752 300 HG2 GLU 36 2HG GLU 36 0.664 10.184 -3.606 301 HG3 GLU 36 3HG GLU 36 -0.190 8.747 -4.165 302 H ILE 37 H ILE 37 -2.814 8.326 -4.537 303 HA ILE 37 HA ILE 37 -2.948 5.426 -4.337 304 HB ILE 37 HB ILE 37 -3.429 7.210 -6.738 305 HG12 ILE 37 2HG1 ILE 37 -5.417 5.981 -4.802 306 HG13 ILE 37 3HG1 ILE 37 -4.967 7.682 -4.844 307 HG21 ILE 37 1HG2 ILE 37 -4.591 5.282 -7.685 308 HG22 ILE 37 2HG2 ILE 37 -4.190 4.323 -6.258 309 HG23 ILE 37 3HG2 ILE 37 -2.909 4.886 -7.333 310 HD11 ILE 37 3HD1 ILE 37 -7.100 7.315 -5.925 311 HD12 ILE 37 1HD1 ILE 37 -6.365 6.166 -7.040 312 HD13 ILE 37 2HD1 ILE 37 -5.905 7.868 -7.095 313 H ALA 38 H ALA 38 -1.110 4.282 -4.511 314 HA ALA 38 HA ALA 38 1.003 5.229 -6.353 315 HB1 ALA 38 3HB ALA 38 1.683 5.130 -4.008 316 HB2 ALA 38 1HB ALA 38 2.580 3.965 -4.984 317 HB3 ALA 38 2HB ALA 38 1.261 3.418 -3.949 318 H GLU 39 H GLU 39 2.018 3.782 -7.750 319 HA GLU 39 HA GLU 39 0.439 1.539 -8.650 320 HB2 GLU 39 2HB GLU 39 3.178 2.417 -9.595 321 HB3 GLU 39 3HB GLU 39 2.052 1.373 -10.451 322 HG2 GLU 39 2HG GLU 39 0.517 3.223 -10.759 323 HG3 GLU 39 3HG GLU 39 1.564 4.279 -9.809 324 H ILE 40 H ILE 40 0.784 -0.591 -8.184 325 HA ILE 40 HA ILE 40 2.847 -1.274 -6.268 326 HB ILE 40 HB ILE 40 0.809 -3.044 -7.630 327 HG12 ILE 40 2HG1 ILE 40 0.814 -1.838 -4.846 328 HG13 ILE 40 3HG1 ILE 40 -0.196 -1.302 -6.184 329 HG21 ILE 40 1HG2 ILE 40 2.630 -3.617 -5.293 330 HG22 ILE 40 2HG2 ILE 40 2.720 -4.347 -6.897 331 HG23 ILE 40 3HG2 ILE 40 1.333 -4.673 -5.856 332 HD11 ILE 40 3HD1 ILE 40 -1.324 -3.462 -6.206 333 HD12 ILE 40 1HD1 ILE 40 -1.441 -2.686 -4.626 334 HD13 ILE 40 2HD1 ILE 40 -0.305 -4.012 -4.875 335 H ARG 41 H ARG 41 4.864 -1.672 -6.896 336 HA ARG 41 HA ARG 41 5.475 -2.505 -9.598 337 HB2 ARG 41 2HB ARG 41 7.400 -2.222 -7.279 338 HB3 ARG 41 3HB ARG 41 7.796 -2.220 -8.990 339 HG2 ARG 41 2HG ARG 41 6.226 -0.093 -7.538 340 HG3 ARG 41 3HG ARG 41 7.920 0.016 -8.016 341 HD2 ARG 41 2HD ARG 41 7.230 -0.201 -10.384 342 HD3 ARG 41 3HD ARG 41 5.542 -0.219 -9.864 343 HE ARG 41 HE ARG 41 7.127 2.069 -9.029 344 HH11 ARG 41 1HH1 ARG 41 4.936 0.803 -11.369 345 HH12 ARG 41 2HH1 ARG 41 4.357 2.367 -11.824 346 HH21 ARG 41 1HH2 ARG 41 6.384 4.067 -9.657 347 HH22 ARG 41 2HH2 ARG 41 5.154 4.176 -10.867 348 H ASN 42 H ASN 42 5.892 -3.864 -6.337 349 HA ASN 42 HA ASN 42 6.184 -6.552 -7.540 350 HB2 ASN 42 2HB ASN 42 8.309 -5.522 -6.531 351 HB3 ASN 42 3HB ASN 42 7.524 -5.696 -4.966 352 HD21 ASN 42 1HD2 ASN 42 9.936 -6.949 -5.867 353 HD22 ASN 42 2HD2 ASN 42 9.670 -8.652 -5.796 354 H VAL 43 H VAL 43 5.195 -8.284 -6.395 355 HA VAL 43 HA VAL 43 3.127 -7.377 -4.485 356 HB VAL 43 HB VAL 43 1.627 -9.085 -5.388 357 HG11 VAL 43 1HG1 VAL 43 1.219 -8.064 -7.600 358 HG12 VAL 43 2HG1 VAL 43 2.793 -7.271 -7.511 359 HG13 VAL 43 3HG1 VAL 43 1.527 -6.855 -6.353 360 HG21 VAL 43 3HG2 VAL 43 3.322 -10.719 -6.094 361 HG22 VAL 43 1HG2 VAL 43 3.812 -9.644 -7.405 362 HG23 VAL 43 2HG2 VAL 43 2.196 -10.352 -7.398 363 H VAL 44 H VAL 44 5.894 -9.172 -4.478 364 HA VAL 44 HA VAL 44 4.960 -11.480 -3.036 365 HB VAL 44 HB VAL 44 7.028 -11.622 -4.340 366 HG11 VAL 44 1HG1 VAL 44 8.208 -9.715 -2.315 367 HG12 VAL 44 2HG1 VAL 44 7.880 -9.360 -4.011 368 HG13 VAL 44 3HG1 VAL 44 9.100 -10.558 -3.581 369 HG21 VAL 44 3HG2 VAL 44 6.731 -13.183 -2.499 370 HG22 VAL 44 1HG2 VAL 44 7.462 -12.034 -1.375 371 HG23 VAL 44 2HG2 VAL 44 8.435 -12.753 -2.660 372 H GLU 45 H GLU 45 4.422 -11.583 -0.952 373 HA GLU 45 HA GLU 45 5.107 -9.352 0.825 374 HB2 GLU 45 2HB GLU 45 3.356 -10.155 2.277 375 HB3 GLU 45 3HB GLU 45 2.734 -10.071 0.636 376 HG2 GLU 45 2HG GLU 45 2.774 -12.416 0.386 377 HG3 GLU 45 3HG GLU 45 3.786 -12.626 1.812 378 H ASN 46 H ASN 46 5.126 -10.326 3.291 379 HA ASN 46 HA ASN 46 7.655 -11.597 3.543 380 HB2 ASN 46 2HB ASN 46 6.690 -10.001 5.215 381 HB3 ASN 46 3HB ASN 46 5.532 -11.240 5.684 382 HD21 ASN 46 1HD2 ASN 46 7.510 -9.943 7.323 383 HD22 ASN 46 2HD2 ASN 46 8.545 -11.188 7.926 384 H THR 47 H THR 47 7.551 -13.592 2.470 385 HA THR 47 HA THR 47 6.105 -15.718 3.936 386 HB THR 47 HB THR 47 5.871 -16.968 1.781 387 HG1 THR 47 HG1 THR 47 6.442 -14.507 0.476 388 HG21 THR 47 3HG2 THR 47 3.997 -15.658 0.881 389 HG22 THR 47 1HG2 THR 47 4.537 -14.258 1.805 390 HG23 THR 47 2HG2 THR 47 3.962 -15.698 2.645 391 H ALA 48 H ALA 48 7.072 -17.909 3.570 392 HA ALA 48 HA ALA 48 9.983 -17.790 3.571 393 HB1 ALA 48 3HB ALA 48 9.883 -20.132 4.232 394 HB2 ALA 48 1HB ALA 48 8.144 -20.160 3.949 395 HB3 ALA 48 2HB ALA 48 8.811 -19.163 5.242 396 H ASN 49 H ASN 49 7.362 -18.836 1.511 397 HA ASN 49 HA ASN 49 9.309 -19.742 -0.523 398 HB2 ASN 49 2HB ASN 49 6.475 -20.714 -0.077 399 HB3 ASN 49 3HB ASN 49 7.517 -21.213 -1.404 400 HD21 ASN 49 1HD2 ASN 49 6.878 -21.493 1.993 401 HD22 ASN 49 2HD2 ASN 49 7.972 -22.799 2.288 402 HA PRO 50 HA PRO 50 7.283 -16.201 -2.672 403 HB2 PRO 50 2HB PRO 50 9.838 -16.160 -4.135 404 HB3 PRO 50 3HB PRO 50 9.044 -14.863 -3.237 405 HG2 PRO 50 2HG PRO 50 11.290 -16.044 -2.336 406 HG3 PRO 50 3HG PRO 50 10.028 -15.463 -1.234 407 HD2 PRO 50 2HD PRO 50 10.569 -18.265 -2.185 408 HD3 PRO 50 3HD PRO 50 10.180 -17.689 -0.549 409 H HIS 51 H HIS 51 5.831 -17.551 -3.755 410 HA HIS 51 HA HIS 51 6.817 -18.803 -6.241 411 HB2 HIS 51 2HB HIS 51 6.571 -20.568 -4.579 412 HB3 HIS 51 3HB HIS 51 4.933 -20.042 -4.218 413 HD1 HIS 51 HD1 HIS 51 3.074 -20.844 -5.753 414 HD2 HIS 51 HD2 HIS 51 6.858 -21.949 -7.057 415 HE1 HIS 51 HE1 HIS 51 2.690 -22.482 -7.607 416 HE2 HIS 51 HE2 HIS 51 4.984 -23.027 -8.475 417 H PHE 52 H PHE 52 5.521 -18.622 -8.006 418 HA PHE 52 HA PHE 52 3.811 -18.040 -9.380 419 HB2 PHE 52 2HB PHE 52 2.513 -19.460 -7.677 420 HB3 PHE 52 3HB PHE 52 1.978 -17.941 -6.976 421 HD1 PHE 52 HD1 PHE 52 2.110 -19.706 -10.263 422 HD2 PHE 52 HD2 PHE 52 -0.012 -17.023 -7.724 423 HE1 PHE 52 HE1 PHE 52 0.250 -19.650 -11.873 424 HE2 PHE 52 HE2 PHE 52 -1.867 -16.960 -9.332 425 HZ PHE 52 HZ PHE 52 -1.740 -18.276 -11.410 426 H VAL 53 H VAL 53 5.332 -16.063 -7.516 427 HA VAL 53 HA VAL 53 3.738 -13.779 -7.089 428 HB VAL 53 HB VAL 53 6.728 -13.923 -7.556 429 HG11 VAL 53 1HG1 VAL 53 5.915 -11.640 -7.773 430 HG12 VAL 53 2HG1 VAL 53 6.841 -11.824 -6.286 431 HG13 VAL 53 3HG1 VAL 53 5.080 -11.770 -6.225 432 HG21 VAL 53 3HG2 VAL 53 6.029 -15.387 -5.736 433 HG22 VAL 53 1HG2 VAL 53 5.151 -14.057 -4.982 434 HG23 VAL 53 2HG2 VAL 53 6.908 -13.996 -5.106 435 H ARG 54 H ARG 54 5.126 -15.028 -9.998 436 HA ARG 54 HA ARG 54 5.277 -12.694 -11.559 437 HB2 ARG 54 2HB ARG 54 6.210 -14.877 -12.245 438 HB3 ARG 54 3HB ARG 54 4.583 -15.506 -12.449 439 HG2 ARG 54 2HG ARG 54 5.435 -14.975 -14.609 440 HG3 ARG 54 3HG ARG 54 4.208 -13.772 -14.215 441 HD2 ARG 54 2HD ARG 54 7.191 -13.369 -13.918 442 HD3 ARG 54 3HD ARG 54 6.233 -12.810 -15.285 443 HE ARG 54 HE ARG 54 6.073 -11.777 -12.534 444 HH11 ARG 54 1HH1 ARG 54 5.369 -11.468 -15.893 445 HH12 ARG 54 2HH1 ARG 54 4.820 -9.836 -15.739 446 HH21 ARG 54 1HH2 ARG 54 5.344 -9.682 -12.342 447 HH22 ARG 54 2HH2 ARG 54 4.823 -8.834 -13.759 448 H ARG 55 H ARG 55 2.560 -14.365 -10.320 449 HA ARG 55 HA ARG 55 0.745 -12.765 -12.015 450 HB2 ARG 55 2HB ARG 55 0.610 -15.371 -11.916 451 HB3 ARG 55 3HB ARG 55 -0.112 -15.121 -10.336 452 HG2 ARG 55 2HG ARG 55 -1.207 -13.872 -12.854 453 HG3 ARG 55 3HG ARG 55 -1.698 -15.460 -12.273 454 HD2 ARG 55 2HD ARG 55 -2.421 -14.403 -10.140 455 HD3 ARG 55 3HD ARG 55 -2.027 -12.827 -10.829 456 HE ARG 55 HE ARG 55 -3.787 -13.141 -12.426 457 HH11 ARG 55 1HH1 ARG 55 -3.744 -15.421 -9.845 458 HH12 ARG 55 2HH1 ARG 55 -5.377 -15.917 -10.103 459 HH21 ARG 55 1HH2 ARG 55 -5.866 -13.774 -12.761 460 HH22 ARG 55 2HH2 ARG 55 -6.575 -14.992 -11.754 461 H ASN 56 H ASN 56 -0.160 -11.054 -11.004 462 HA ASN 56 HA ASN 56 0.681 -10.332 -8.433 463 HB2 ASN 56 2HB ASN 56 -1.541 -9.148 -10.106 464 HB3 ASN 56 3HB ASN 56 -0.851 -8.393 -8.671 465 HD21 ASN 56 1HD2 ASN 56 -0.892 -7.350 -11.346 466 HD22 ASN 56 2HD2 ASN 56 0.752 -7.137 -11.821 467 H ILE 57 H ILE 57 0.114 -11.606 -6.746 468 HA ILE 57 HA ILE 57 -2.733 -12.059 -6.166 469 HB ILE 57 HB ILE 57 -0.274 -13.135 -4.756 470 HG12 ILE 57 2HG1 ILE 57 -2.230 -14.508 -6.626 471 HG13 ILE 57 3HG1 ILE 57 -0.573 -14.062 -7.022 472 HG21 ILE 57 1HG2 ILE 57 -3.194 -13.818 -4.346 473 HG22 ILE 57 2HG2 ILE 57 -2.172 -12.922 -3.225 474 HG23 ILE 57 3HG2 ILE 57 -1.829 -14.619 -3.562 475 HD11 ILE 57 3HD1 ILE 57 -0.750 -16.427 -6.526 476 HD12 ILE 57 1HD1 ILE 57 -1.413 -16.065 -4.932 477 HD13 ILE 57 2HD1 ILE 57 0.249 -15.615 -5.322 478 H ILE 58 H ILE 58 -3.539 -10.172 -5.316 479 HA ILE 58 HA ILE 58 -2.075 -8.884 -3.102 480 HB ILE 58 HB ILE 58 -4.419 -7.815 -4.697 481 HG12 ILE 58 2HG1 ILE 58 -2.404 -7.979 -6.079 482 HG13 ILE 58 3HG1 ILE 58 -2.766 -6.294 -5.724 483 HG21 ILE 58 1HG2 ILE 58 -4.370 -6.900 -2.445 484 HG22 ILE 58 2HG2 ILE 58 -3.893 -5.663 -3.611 485 HG23 ILE 58 3HG2 ILE 58 -2.668 -6.472 -2.631 486 HD11 ILE 58 3HD1 ILE 58 -0.678 -7.972 -4.351 487 HD12 ILE 58 1HD1 ILE 58 -1.031 -6.277 -4.014 488 HD13 ILE 58 2HD1 ILE 58 -0.387 -6.747 -5.586 489 H THR 59 H THR 59 -2.754 -9.267 -1.061 490 HA THR 59 HA THR 59 -5.609 -9.581 -0.515 491 HB THR 59 HB THR 59 -4.847 -11.902 -0.852 492 HG1 THR 59 HG1 THR 59 -6.121 -12.477 0.745 493 HG21 THR 59 3HG2 THR 59 -2.487 -11.592 -0.179 494 HG22 THR 59 1HG2 THR 59 -3.249 -12.937 0.672 495 HG23 THR 59 2HG2 THR 59 -3.005 -11.396 1.497 496 H ARG 60 H ARG 60 -5.997 -9.771 1.916 497 HA ARG 60 HA ARG 60 -4.888 -7.520 3.207 498 HB2 ARG 60 2HB ARG 60 -7.137 -8.382 3.707 499 HB3 ARG 60 3HB ARG 60 -6.434 -9.842 4.386 500 HG2 ARG 60 2HG ARG 60 -5.260 -8.332 6.062 501 HG3 ARG 60 3HG ARG 60 -6.314 -7.042 5.479 502 HD2 ARG 60 2HD ARG 60 -7.244 -8.093 7.476 503 HD3 ARG 60 3HD ARG 60 -8.279 -8.375 6.075 504 HE ARG 60 HE ARG 60 -6.526 -10.532 6.286 505 HH11 ARG 60 1HH1 ARG 60 -9.123 -9.157 8.099 506 HH12 ARG 60 2HH1 ARG 60 -9.594 -10.683 8.760 507 HH21 ARG 60 1HH2 ARG 60 -7.148 -12.456 7.134 508 HH22 ARG 60 2HH2 ARG 60 -8.493 -12.533 8.218 509 H GLY 61 H GLY 61 -3.043 -7.294 4.326 510 HA2 GLY 61 2HA GLY 61 -1.503 -7.970 6.029 511 HA3 GLY 61 3HA GLY 61 -1.838 -9.649 5.638 512 H ALA 62 H ALA 62 -1.585 -8.619 2.675 513 HA ALA 62 HA ALA 62 1.156 -9.420 2.371 514 HB1 ALA 62 3HB ALA 62 0.766 -9.109 -0.027 515 HB2 ALA 62 1HB ALA 62 -0.786 -8.343 0.320 516 HB3 ALA 62 2HB ALA 62 -0.532 -10.045 0.721 517 H VAL 63 H VAL 63 2.944 -8.186 1.955 518 HA VAL 63 HA VAL 63 2.617 -5.253 2.026 519 HB VAL 63 HB VAL 63 5.103 -6.891 2.598 520 HG11 VAL 63 1HG1 VAL 63 6.038 -4.790 3.448 521 HG12 VAL 63 2HG1 VAL 63 4.571 -3.939 2.966 522 HG13 VAL 63 3HG1 VAL 63 5.616 -4.656 1.739 523 HG21 VAL 63 3HG2 VAL 63 3.444 -7.261 4.326 524 HG22 VAL 63 1HG2 VAL 63 3.179 -5.524 4.484 525 HG23 VAL 63 2HG2 VAL 63 4.727 -6.226 4.953 526 H VAL 64 H VAL 64 2.695 -4.323 0.071 527 HA VAL 64 HA VAL 64 4.247 -5.625 -2.074 528 HB VAL 64 HB VAL 64 2.832 -4.355 -3.647 529 HG11 VAL 64 1HG1 VAL 64 2.170 -6.610 -2.996 530 HG12 VAL 64 2HG1 VAL 64 0.752 -5.596 -3.263 531 HG13 VAL 64 3HG1 VAL 64 1.272 -5.965 -1.618 532 HG21 VAL 64 3HG2 VAL 64 2.318 -2.407 -2.285 533 HG22 VAL 64 1HG2 VAL 64 1.400 -3.405 -1.156 534 HG23 VAL 64 2HG2 VAL 64 0.823 -3.181 -2.809 535 H GLU 65 H GLU 65 5.813 -4.567 -3.217 536 HA GLU 65 HA GLU 65 6.830 -2.064 -2.157 537 HB2 GLU 65 2HB GLU 65 8.335 -3.927 -2.836 538 HB3 GLU 65 3HB GLU 65 7.817 -3.713 -4.501 539 HG2 GLU 65 2HG GLU 65 9.922 -2.656 -4.284 540 HG3 GLU 65 3HG GLU 65 8.717 -1.378 -4.399 541 H THR 66 H THR 66 6.100 -0.133 -2.835 542 HA THR 66 HA THR 66 5.082 0.151 -5.610 543 HB THR 66 HB THR 66 3.459 1.769 -4.857 544 HG1 THR 66 HG1 THR 66 4.236 1.357 -2.159 545 HG21 THR 66 3HG2 THR 66 2.024 0.407 -3.415 546 HG22 THR 66 1HG2 THR 66 3.396 -0.616 -2.989 547 HG23 THR 66 2HG2 THR 66 2.791 -0.595 -4.643 548 H ASN 67 H ASN 67 4.905 2.685 -6.118 549 HA ASN 67 HA ASN 67 7.551 3.697 -6.177 550 HB2 ASN 67 2HB ASN 67 6.527 5.753 -7.136 551 HB3 ASN 67 3HB ASN 67 6.005 4.274 -7.935 552 HD21 ASN 67 1HD2 ASN 67 5.046 6.943 -5.953 553 HD22 ASN 67 2HD2 ASN 67 3.347 6.635 -6.033 554 H LEU 68 H LEU 68 5.063 4.008 -3.803 555 HA LEU 68 HA LEU 68 6.439 6.213 -2.455 556 HB2 LEU 68 2HB LEU 68 3.922 4.692 -1.769 557 HB3 LEU 68 3HB LEU 68 4.601 5.953 -0.758 558 HG LEU 68 HG LEU 68 3.591 6.331 -3.585 559 HD11 LEU 68 1HD1 LEU 68 1.789 7.610 -2.539 560 HD12 LEU 68 2HD1 LEU 68 2.412 7.193 -0.943 561 HD13 LEU 68 3HD1 LEU 68 1.782 5.930 -2.001 562 HD21 LEU 68 3HD2 LEU 68 4.625 8.345 -1.579 563 HD22 LEU 68 1HD2 LEU 68 3.907 8.723 -3.146 564 HD23 LEU 68 2HD2 LEU 68 5.435 7.848 -3.067 565 H GLY 69 H GLY 69 6.241 2.764 -2.373 566 HA2 GLY 69 2HA GLY 69 8.325 1.902 -1.153 567 HA3 GLY 69 3HA GLY 69 7.605 2.687 0.243 568 H ASN 70 H ASN 70 7.740 0.521 1.207 569 HA ASN 70 HA ASN 70 6.138 -1.625 0.205 570 HB2 ASN 70 2HB ASN 70 7.213 -1.188 3.005 571 HB3 ASN 70 3HB ASN 70 6.556 -2.696 2.382 572 HD21 ASN 70 1HD2 ASN 70 7.839 -2.233 -0.257 573 HD22 ASN 70 2HD2 ASN 70 9.505 -2.603 -0.011 574 H VAL 71 H VAL 71 3.976 -1.665 0.216 575 HA VAL 71 HA VAL 71 2.536 -0.147 2.297 576 HB VAL 71 HB VAL 71 1.502 -1.032 -0.409 577 HG11 VAL 71 1HG1 VAL 71 0.328 0.871 1.627 578 HG12 VAL 71 2HG1 VAL 71 -0.251 -0.758 1.278 579 HG13 VAL 71 3HG1 VAL 71 -0.352 0.498 0.042 580 HG21 VAL 71 3HG2 VAL 71 3.296 0.616 -0.652 581 HG22 VAL 71 1HG2 VAL 71 2.462 1.702 0.461 582 HG23 VAL 71 2HG2 VAL 71 1.735 1.303 -1.096 583 H ARG 72 H ARG 72 1.565 -1.331 3.829 584 HA ARG 72 HA ARG 72 1.166 -4.189 3.460 585 HB2 ARG 72 2HB ARG 72 2.052 -3.224 5.592 586 HB3 ARG 72 3HB ARG 72 0.486 -2.469 5.862 587 HG2 ARG 72 2HG ARG 72 -0.565 -4.693 5.917 588 HG3 ARG 72 3HG ARG 72 1.018 -5.436 5.676 589 HD2 ARG 72 2HD ARG 72 0.208 -3.710 8.017 590 HD3 ARG 72 3HD ARG 72 0.357 -5.466 8.035 591 HE ARG 72 HE ARG 72 2.786 -5.045 7.487 592 HH11 ARG 72 1HH1 ARG 72 0.898 -2.750 9.223 593 HH12 ARG 72 2HH1 ARG 72 2.266 -2.078 10.033 594 HH21 ARG 72 1HH2 ARG 72 4.544 -4.179 8.560 595 HH22 ARG 72 2HH2 ARG 72 4.296 -2.878 9.675 596 H VAL 73 H VAL 73 -0.596 -4.869 2.448 597 HA VAL 73 HA VAL 73 -2.801 -3.215 1.836 598 HB VAL 73 HB VAL 73 -2.601 -6.226 1.573 599 HG11 VAL 73 1HG1 VAL 73 -4.426 -4.250 0.194 600 HG12 VAL 73 2HG1 VAL 73 -4.902 -5.448 1.398 601 HG13 VAL 73 3HG1 VAL 73 -4.309 -5.970 -0.178 602 HG21 VAL 73 3HG2 VAL 73 -0.767 -5.091 0.421 603 HG22 VAL 73 1HG2 VAL 73 -1.919 -4.053 -0.417 604 HG23 VAL 73 2HG2 VAL 73 -1.900 -5.788 -0.736 605 H THR 74 H THR 74 -4.482 -2.691 3.054 606 HA THR 74 HA THR 74 -5.189 -4.249 5.418 607 HB THR 74 HB THR 74 -6.745 -2.409 5.931 608 HG1 THR 74 HG1 THR 74 -6.759 -0.572 4.539 609 HG21 THR 74 3HG2 THR 74 -4.435 -2.211 6.702 610 HG22 THR 74 1HG2 THR 74 -5.073 -0.628 6.265 611 HG23 THR 74 2HG2 THR 74 -3.967 -1.464 5.174 612 H SER 75 H SER 75 -6.638 -3.286 2.328 613 HA SER 75 HA SER 75 -8.828 -5.213 2.830 614 HB2 SER 75 2HB SER 75 -9.665 -2.890 2.902 615 HB3 SER 75 3HB SER 75 -9.025 -2.610 1.282 616 HG SER 75 HG SER 75 -10.975 -4.572 1.957 617 H ARG 76 H ARG 76 -9.403 -6.584 1.196 618 HA ARG 76 HA ARG 76 -7.450 -7.224 -0.749 619 HB2 ARG 76 2HB ARG 76 -10.300 -8.186 -0.440 620 HB3 ARG 76 3HB ARG 76 -9.129 -8.889 -1.548 621 HG2 ARG 76 2HG ARG 76 -7.680 -9.447 0.371 622 HG3 ARG 76 3HG ARG 76 -8.909 -8.805 1.460 623 HD2 ARG 76 2HD ARG 76 -10.509 -10.479 0.608 624 HD3 ARG 76 3HD ARG 76 -9.251 -11.134 -0.440 625 HE ARG 76 HE ARG 76 -8.479 -11.084 2.317 626 HH11 ARG 76 1HH1 ARG 76 -10.248 -12.870 -0.039 627 HH12 ARG 76 2HH1 ARG 76 -10.089 -14.361 0.818 628 HH21 ARG 76 1HH2 ARG 76 -8.266 -13.008 3.397 629 HH22 ARG 76 2HH2 ARG 76 -8.992 -14.437 2.747 630 HA PRO 77 HA PRO 77 -8.390 -4.731 -4.193 631 HB2 PRO 77 2HB PRO 77 -7.622 -6.243 -6.281 632 HB3 PRO 77 3HB PRO 77 -6.469 -5.708 -5.050 633 HG2 PRO 77 2HG PRO 77 -7.878 -8.352 -5.288 634 HG3 PRO 77 3HG PRO 77 -6.153 -8.032 -5.013 635 HD2 PRO 77 2HD PRO 77 -7.856 -8.625 -2.989 636 HD3 PRO 77 3HD PRO 77 -6.472 -7.533 -2.774 637 H GLY 78 H GLY 78 -10.848 -6.091 -3.341 638 HA2 GLY 78 2HA GLY 78 -12.411 -5.584 -5.665 639 HA3 GLY 78 3HA GLY 78 -12.257 -7.311 -5.403 640 H GLN 79 H GLN 79 -12.359 -5.103 -2.680 641 HA GLN 79 HA GLN 79 -14.909 -6.293 -1.874 642 HB2 GLN 79 2HB GLN 79 -13.041 -4.510 -0.290 643 HB3 GLN 79 3HB GLN 79 -14.443 -5.365 0.343 644 HG2 GLN 79 2HG GLN 79 -11.927 -6.613 -0.760 645 HG3 GLN 79 3HG GLN 79 -12.408 -6.535 0.934 646 HE21 GLN 79 1HE2 GLN 79 -11.852 -8.833 -0.828 647 HE22 GLN 79 2HE2 GLN 79 -13.258 -9.831 -0.761 648 H ASP 80 H ASP 80 -13.559 -2.963 -1.670 649 HA ASP 80 HA ASP 80 -16.276 -1.936 -2.180 650 HB2 ASP 80 2HB ASP 80 -14.876 -1.207 -0.155 651 HB3 ASP 80 3HB ASP 80 -13.891 -0.302 -1.300 652 H GLY 81 H GLY 81 -14.183 -2.960 -4.186 653 HA2 GLY 81 2HA GLY 81 -13.814 -2.472 -6.423 654 HA3 GLY 81 3HA GLY 81 -14.640 -0.939 -6.194 655 H VAL 82 H VAL 82 -12.069 -1.624 -4.011 656 HA VAL 82 HA VAL 82 -10.003 -0.342 -5.577 657 HB VAL 82 HB VAL 82 -11.277 1.617 -4.874 658 HG11 VAL 82 1HG1 VAL 82 -11.549 2.187 -2.496 659 HG12 VAL 82 2HG1 VAL 82 -10.854 0.628 -2.049 660 HG13 VAL 82 3HG1 VAL 82 -12.387 0.693 -2.918 661 HG21 VAL 82 3HG2 VAL 82 -8.851 1.859 -5.008 662 HG22 VAL 82 1HG2 VAL 82 -8.689 1.350 -3.327 663 HG23 VAL 82 2HG2 VAL 82 -9.500 2.868 -3.716 664 H ILE 83 H ILE 83 -7.931 -0.534 -4.677 665 HA ILE 83 HA ILE 83 -7.664 -2.436 -2.468 666 HB ILE 83 HB ILE 83 -5.423 -1.246 -4.120 667 HG12 ILE 83 2HG1 ILE 83 -6.965 -3.793 -4.687 668 HG13 ILE 83 3HG1 ILE 83 -7.124 -2.307 -5.608 669 HG21 ILE 83 1HG2 ILE 83 -5.636 -3.814 -2.531 670 HG22 ILE 83 2HG2 ILE 83 -4.744 -2.368 -2.055 671 HG23 ILE 83 3HG2 ILE 83 -4.230 -3.298 -3.463 672 HD11 ILE 83 3HD1 ILE 83 -5.708 -3.899 -6.757 673 HD12 ILE 83 1HD1 ILE 83 -4.636 -3.988 -5.361 674 HD13 ILE 83 2HD1 ILE 83 -4.771 -2.486 -6.272 675 H ASN 84 H ASN 84 -6.830 -1.896 -0.462 676 HA ASN 84 HA ASN 84 -5.831 0.864 -0.070 677 HB2 ASN 84 2HB ASN 84 -7.744 -0.644 1.735 678 HB3 ASN 84 3HB ASN 84 -6.995 0.901 2.132 679 HD21 ASN 84 1HD2 ASN 84 -9.361 -0.711 0.167 680 HD22 ASN 84 2HD2 ASN 84 -10.168 0.714 -0.371 681 H GLY 85 H GLY 85 -4.166 1.144 1.447 682 HA2 GLY 85 2HA GLY 85 -3.335 -1.010 3.182 683 HA3 GLY 85 3HA GLY 85 -2.262 -0.781 1.811 684 H VAL 86 H VAL 86 -1.109 -0.505 4.199 685 HA VAL 86 HA VAL 86 -1.035 2.388 4.821 686 HB VAL 86 HB VAL 86 0.107 0.203 6.565 687 HG11 VAL 86 1HG1 VAL 86 -0.181 1.883 8.343 688 HG12 VAL 86 2HG1 VAL 86 -0.782 3.031 7.144 689 HG13 VAL 86 3HG1 VAL 86 0.883 2.451 7.054 690 HG21 VAL 86 3HG2 VAL 86 -1.978 0.272 7.870 691 HG22 VAL 86 1HG2 VAL 86 -2.240 -0.328 6.232 692 HG23 VAL 86 2HG2 VAL 86 -2.697 1.325 6.650 693 H LEU 87 H LEU 87 0.978 3.468 5.016 694 HA LEU 87 HA LEU 87 3.043 2.407 3.277 695 HB2 LEU 87 2HB LEU 87 2.281 4.736 3.075 696 HB3 LEU 87 3HB LEU 87 2.857 5.065 4.697 697 HG LEU 87 HG LEU 87 5.169 4.648 3.972 698 HD11 LEU 87 1HD1 LEU 87 3.972 4.249 1.229 699 HD12 LEU 87 2HD1 LEU 87 4.755 3.015 2.216 700 HD13 LEU 87 3HD1 LEU 87 5.693 4.369 1.594 701 HD21 LEU 87 3HD2 LEU 87 5.438 6.628 2.560 702 HD22 LEU 87 1HD2 LEU 87 4.288 6.918 3.864 703 HD23 LEU 87 2HD2 LEU 87 3.704 6.625 2.227 704 H ILE 88 H ILE 88 4.723 1.284 3.978 705 HA ILE 88 HA ILE 88 6.039 1.919 6.519 706 HB ILE 88 HB ILE 88 6.174 -0.454 7.167 707 HG12 ILE 88 2HG1 ILE 88 4.394 -0.885 4.760 708 HG13 ILE 88 3HG1 ILE 88 6.021 -1.501 4.990 709 HG21 ILE 88 1HG2 ILE 88 3.856 -0.790 7.894 710 HG22 ILE 88 2HG2 ILE 88 3.325 0.464 6.777 711 HG23 ILE 88 3HG2 ILE 88 4.378 0.878 8.129 712 HD11 ILE 88 3HD1 ILE 88 3.577 -2.313 6.538 713 HD12 ILE 88 1HD1 ILE 88 5.212 -2.909 6.820 714 HD13 ILE 88 2HD1 ILE 88 4.398 -3.250 5.293 715 H ARG 89 H ARG 89 7.996 0.154 6.648 716 HA ARG 89 HA ARG 89 9.051 -0.493 3.992 717 HB2 ARG 89 2HB ARG 89 10.616 1.071 6.062 718 HB3 ARG 89 3HB ARG 89 11.364 0.245 4.707 719 HG2 ARG 89 2HG ARG 89 9.465 2.578 4.600 720 HG3 ARG 89 3HG ARG 89 11.183 2.576 4.209 721 HD2 ARG 89 2HD ARG 89 8.911 1.331 2.671 722 HD3 ARG 89 3HD ARG 89 10.032 2.582 2.145 723 HE ARG 89 HE ARG 89 11.429 0.183 2.724 724 HH11 ARG 89 1HH1 ARG 89 9.504 1.722 0.344 725 HH12 ARG 89 2HH1 ARG 89 9.906 0.584 -0.896 726 HH21 ARG 89 1HH2 ARG 89 11.974 -1.266 1.107 727 HH22 ARG 89 2HH2 ARG 89 11.290 -1.076 -0.473 728 H GLU 90 H GLU 90 8.594 -2.681 4.504 729 HA GLU 90 HA GLU 90 9.673 -3.961 6.820 730 HB2 GLU 90 2HB GLU 90 8.708 -5.122 4.193 731 HB3 GLU 90 3HB GLU 90 9.173 -6.088 5.588 732 HG2 GLU 90 2HG GLU 90 6.921 -4.086 5.495 733 HG3 GLU 90 3HG GLU 90 6.752 -5.839 5.428 734 H LEU 91 H LEU 91 10.863 -3.256 3.640 735 HA LEU 91 HA LEU 91 13.559 -3.944 4.545 736 HB2 LEU 91 2HB LEU 91 14.185 -4.987 2.459 737 HB3 LEU 91 3HB LEU 91 12.821 -5.846 3.145 738 HG LEU 91 HG LEU 91 12.498 -3.786 0.956 739 HD11 LEU 91 1HD1 LEU 91 12.400 -5.649 -0.624 740 HD12 LEU 91 2HD1 LEU 91 12.843 -6.771 0.664 741 HD13 LEU 91 3HD1 LEU 91 13.983 -5.531 0.142 742 HD21 LEU 91 3HD2 LEU 91 10.473 -4.313 2.218 743 HD22 LEU 91 1HD2 LEU 91 10.714 -6.033 1.912 744 HD23 LEU 91 2HD2 LEU 91 10.371 -4.935 0.573 745 H GLU 92 H GLU 92 15.243 -2.802 3.268 746 HA GLU 92 HA GLU 92 14.189 -0.256 2.208 747 HB2 GLU 92 2HB GLU 92 15.780 -0.182 4.151 748 HB3 GLU 92 3HB GLU 92 17.016 -0.868 3.104 749 HG2 GLU 92 2HG GLU 92 16.482 1.150 1.563 750 HG3 GLU 92 3HG GLU 92 15.751 1.844 3.009 751 H HIS 93 H HIS 93 17.007 -2.369 1.630 752 HA HIS 93 HA HIS 93 17.468 -1.251 -0.967 753 HB2 HIS 93 2HB HIS 93 18.707 -3.724 0.266 754 HB3 HIS 93 3HB HIS 93 19.324 -2.818 -1.107 755 HD1 HIS 93 HD1 HIS 93 19.881 -3.217 2.372 756 HD2 HIS 93 HD2 HIS 93 19.892 0.038 -0.213 757 HE1 HIS 93 HE1 HIS 93 21.218 -1.443 3.534 758 HE2 HIS 93 HE2 HIS 93 21.080 0.564 2.026 759 H HIS 94 H HIS 94 15.372 -1.724 -1.957 760 HA HIS 94 HA HIS 94 14.704 -4.452 -2.583 761 HB2 HIS 94 2HB HIS 94 13.089 -3.390 -4.235 762 HB3 HIS 94 3HB HIS 94 12.856 -2.978 -2.542 763 HD1 HIS 94 HD1 HIS 94 14.185 -1.508 -5.755 764 HD2 HIS 94 HD2 HIS 94 12.987 -0.288 -1.966 765 HE1 HIS 94 HE1 HIS 94 14.089 0.998 -5.854 766 HE2 HIS 94 HE2 HIS 94 13.483 1.715 -3.523 767 H HIS 95 H HIS 95 16.878 -4.971 -3.292 768 HA HIS 95 HA HIS 95 17.203 -5.233 -6.071 769 HB2 HIS 95 2HB HIS 95 17.701 -2.813 -6.000 770 HB3 HIS 95 3HB HIS 95 18.944 -3.097 -4.792 771 HD1 HIS 95 HD1 HIS 95 18.327 -3.138 -8.430 772 HD2 HIS 95 HD2 HIS 95 21.319 -4.343 -5.811 773 HE1 HIS 95 HE1 HIS 95 20.341 -3.563 -9.863 774 HE2 HIS 95 HE2 HIS 95 22.173 -4.147 -8.244 775 H HIS 96 H HIS 96 19.039 -4.757 -3.059 776 HA HIS 96 HA HIS 96 20.953 -6.807 -3.526 777 HB2 HIS 96 2HB HIS 96 21.459 -5.083 -1.934 778 HB3 HIS 96 3HB HIS 96 20.006 -5.429 -1.002 779 HD1 HIS 96 HD1 HIS 96 20.134 -7.282 0.729 780 HD2 HIS 96 HD2 HIS 96 23.588 -6.956 -1.559 781 HE1 HIS 96 HE1 HIS 96 21.826 -8.751 1.854 782 HE2 HIS 96 HE2 HIS 96 23.953 -8.369 0.579 783 H HIS 97 H HIS 97 20.392 -8.894 -3.788 784 HA HIS 97 HA HIS 97 18.008 -9.996 -2.589 785 HB2 HIS 97 2HB HIS 97 20.157 -11.223 -4.327 786 HB3 HIS 97 3HB HIS 97 18.751 -12.110 -3.744 787 HD1 HIS 97 HD1 HIS 97 19.790 -9.552 -6.260 788 HD2 HIS 97 HD2 HIS 97 16.303 -11.401 -4.950 789 HE1 HIS 97 HE1 HIS 97 18.048 -9.009 -7.984 790 HE2 HIS 97 HE2 HIS 97 16.004 -10.290 -7.265 791 H HIS 98 H HIS 98 17.991 -11.994 -1.338 792 HA HIS 98 HA HIS 98 20.370 -12.802 0.085 793 HB2 HIS 98 2HB HIS 98 19.701 -10.754 1.315 794 HB3 HIS 98 3HB HIS 98 18.119 -11.463 1.619 795 HD1 HIS 98 HD1 HIS 98 17.898 -12.821 3.697 796 HD2 HIS 98 HD2 HIS 98 21.866 -12.218 2.636 797 HE1 HIS 98 HE1 HIS 98 19.245 -13.715 5.613 798 HE2 HIS 98 HE2 HIS 98 21.617 -13.096 5.055 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -18.269 45.121 -0.045 2 H2 GLY 1 2H GLY 1 -17.111 44.766 1.134 3 H3 GLY 1 3H GLY 1 -18.533 43.854 1.040 4 HA2 GLY 1 2HA GLY 1 -17.880 43.034 -1.155 5 HA3 GLY 1 3HA GLY 1 -16.387 43.949 -1.009 6 H ASP 2 H ASP 2 -18.267 41.352 0.541 7 HA ASP 2 HA ASP 2 -15.929 40.354 1.941 8 HB2 ASP 2 2HB ASP 2 -17.475 38.608 2.777 9 HB3 ASP 2 3HB ASP 2 -18.091 40.236 3.050 10 H ARG 3 H ARG 3 -15.713 37.805 1.826 11 HA ARG 3 HA ARG 3 -15.504 37.069 -1.027 12 HB2 ARG 3 2HB ARG 3 -13.698 36.196 1.243 13 HB3 ARG 3 3HB ARG 3 -13.526 35.742 -0.448 14 HG2 ARG 3 2HG ARG 3 -13.278 38.533 0.667 15 HG3 ARG 3 3HG ARG 3 -11.948 37.492 0.162 16 HD2 ARG 3 2HD ARG 3 -12.758 37.523 -2.133 17 HD3 ARG 3 3HD ARG 3 -14.155 38.486 -1.649 18 HE ARG 3 HE ARG 3 -12.459 40.230 -1.001 19 HH11 ARG 3 1HH1 ARG 3 -11.819 37.923 -3.487 20 HH12 ARG 3 2HH1 ARG 3 -10.685 38.955 -4.286 21 HH21 ARG 3 1HH2 ARG 3 -11.020 41.531 -2.055 22 HH22 ARG 3 2HH2 ARG 3 -10.250 40.966 -3.498 23 H ARG 4 H ARG 4 -17.452 35.964 -1.173 24 HA ARG 4 HA ARG 4 -18.061 33.834 0.708 25 HB2 ARG 4 2HB ARG 4 -19.851 35.271 -0.212 26 HB3 ARG 4 3HB ARG 4 -19.508 34.656 -1.824 27 HG2 ARG 4 2HG ARG 4 -20.144 32.404 -1.101 28 HG3 ARG 4 3HG ARG 4 -20.473 33.017 0.520 29 HD2 ARG 4 2HD ARG 4 -22.184 34.538 -0.475 30 HD3 ARG 4 3HD ARG 4 -21.918 33.748 -2.030 31 HE ARG 4 HE ARG 4 -22.479 31.741 -0.207 32 HH11 ARG 4 1HH1 ARG 4 -24.099 34.456 -1.584 33 HH12 ARG 4 2HH1 ARG 4 -25.669 33.794 -1.307 34 HH21 ARG 4 1HH2 ARG 4 -24.496 30.908 0.135 35 HH22 ARG 4 2HH2 ARG 4 -25.894 31.815 -0.330 36 H VAL 5 H VAL 5 -17.488 31.759 0.474 37 HA VAL 5 HA VAL 5 -16.095 30.918 -1.933 38 HB VAL 5 HB VAL 5 -15.132 30.323 0.221 39 HG11 VAL 5 1HG1 VAL 5 -17.182 30.172 1.543 40 HG12 VAL 5 2HG1 VAL 5 -16.201 28.719 1.728 41 HG13 VAL 5 3HG1 VAL 5 -17.631 28.691 0.698 42 HG21 VAL 5 3HG2 VAL 5 -16.139 27.897 -1.280 43 HG22 VAL 5 1HG2 VAL 5 -14.785 27.912 -0.150 44 HG23 VAL 5 2HG2 VAL 5 -14.690 28.829 -1.651 45 H ARG 6 H ARG 6 -16.880 29.626 -3.504 46 HA ARG 6 HA ARG 6 -19.656 28.845 -3.440 47 HB2 ARG 6 2HB ARG 6 -19.274 28.020 -5.728 48 HB3 ARG 6 3HB ARG 6 -18.713 29.671 -5.521 49 HG2 ARG 6 2HG ARG 6 -16.394 28.805 -5.292 50 HG3 ARG 6 3HG ARG 6 -17.005 27.187 -5.642 51 HD2 ARG 6 2HD ARG 6 -16.114 28.126 -7.673 52 HD3 ARG 6 3HD ARG 6 -17.870 28.042 -7.817 53 HE ARG 6 HE ARG 6 -16.841 30.575 -6.881 54 HH11 ARG 6 1HH1 ARG 6 -17.820 28.723 -9.620 55 HH12 ARG 6 2HH1 ARG 6 -18.031 30.117 -10.618 56 HH21 ARG 6 1HH2 ARG 6 -17.105 32.345 -8.169 57 HH22 ARG 6 2HH2 ARG 6 -17.622 32.146 -9.808 58 H LEU 7 H LEU 7 -20.296 27.120 -2.345 59 HA LEU 7 HA LEU 7 -18.506 24.904 -1.800 60 HB2 LEU 7 2HB LEU 7 -19.989 25.785 -0.050 61 HB3 LEU 7 3HB LEU 7 -21.391 25.360 -1.010 62 HG LEU 7 HG LEU 7 -20.795 22.961 -0.806 63 HD11 LEU 7 1HD1 LEU 7 -19.086 22.267 0.795 64 HD12 LEU 7 2HD1 LEU 7 -18.631 23.948 1.057 65 HD13 LEU 7 3HD1 LEU 7 -18.380 23.202 -0.521 66 HD21 LEU 7 3HD2 LEU 7 -22.375 23.975 0.757 67 HD22 LEU 7 1HD2 LEU 7 -21.046 24.418 1.830 68 HD23 LEU 7 2HD2 LEU 7 -21.421 22.718 1.543 69 H ILE 8 H ILE 8 -21.085 25.637 -3.992 70 HA ILE 8 HA ILE 8 -22.084 23.186 -4.727 71 HB ILE 8 HB ILE 8 -22.964 25.191 -5.709 72 HG12 ILE 8 2HG1 ILE 8 -21.725 23.448 -7.866 73 HG13 ILE 8 3HG1 ILE 8 -23.237 23.123 -7.023 74 HG21 ILE 8 1HG2 ILE 8 -21.758 26.531 -7.357 75 HG22 ILE 8 2HG2 ILE 8 -20.335 25.508 -7.163 76 HG23 ILE 8 3HG2 ILE 8 -20.900 26.497 -5.815 77 HD11 ILE 8 3HD1 ILE 8 -24.208 25.140 -7.995 78 HD12 ILE 8 1HD1 ILE 8 -23.633 24.027 -9.236 79 HD13 ILE 8 2HD1 ILE 8 -22.691 25.463 -8.837 80 H ARG 9 H ARG 9 -21.210 21.350 -5.433 81 HA ARG 9 HA ARG 9 -19.176 21.242 -7.454 82 HB2 ARG 9 2HB ARG 9 -17.485 20.042 -6.093 83 HB3 ARG 9 3HB ARG 9 -17.718 21.703 -5.566 84 HG2 ARG 9 2HG ARG 9 -19.195 20.869 -3.748 85 HG3 ARG 9 3HG ARG 9 -18.797 19.219 -4.234 86 HD2 ARG 9 2HD ARG 9 -17.435 20.023 -2.327 87 HD3 ARG 9 3HD ARG 9 -16.462 19.585 -3.733 88 HE ARG 9 HE ARG 9 -16.823 22.235 -4.069 89 HH11 ARG 9 1HH1 ARG 9 -15.815 20.429 -1.316 90 HH12 ARG 9 2HH1 ARG 9 -14.742 21.667 -0.772 91 HH21 ARG 9 1HH2 ARG 9 -15.451 23.819 -3.335 92 HH22 ARG 9 2HH2 ARG 9 -14.552 23.554 -1.882 93 H THR 10 H THR 10 -19.038 19.202 -8.416 94 HA THR 10 HA THR 10 -20.633 17.027 -7.225 95 HB THR 10 HB THR 10 -21.527 16.467 -9.492 96 HG1 THR 10 HG1 THR 10 -21.344 18.020 -11.133 97 HG21 THR 10 3HG2 THR 10 -23.250 18.205 -9.547 98 HG22 THR 10 1HG2 THR 10 -22.260 19.237 -8.516 99 HG23 THR 10 2HG2 THR 10 -22.908 17.724 -7.886 100 H ARG 11 H ARG 11 -20.206 14.904 -8.237 101 HA ARG 11 HA ARG 11 -17.384 14.465 -8.530 102 HB2 ARG 11 2HB ARG 11 -18.790 12.869 -7.327 103 HB3 ARG 11 3HB ARG 11 -19.728 12.562 -8.783 104 HG2 ARG 11 2HG ARG 11 -17.758 11.591 -9.862 105 HG3 ARG 11 3HG ARG 11 -16.803 11.917 -8.412 106 HD2 ARG 11 2HD ARG 11 -19.248 10.146 -8.507 107 HD3 ARG 11 3HD ARG 11 -17.585 9.563 -8.573 108 HE ARG 11 HE ARG 11 -17.745 11.088 -6.285 109 HH11 ARG 11 1HH1 ARG 11 -19.412 8.328 -7.503 110 HH12 ARG 11 2HH1 ARG 11 -19.634 7.635 -5.933 111 HH21 ARG 11 1HH2 ARG 11 -18.074 10.216 -4.276 112 HH22 ARG 11 2HH2 ARG 11 -18.887 8.693 -4.129 113 H GLY 12 H GLY 12 -20.139 13.705 -10.685 114 HA2 GLY 12 2HA GLY 12 -20.307 13.544 -12.966 115 HA3 GLY 12 3HA GLY 12 -19.039 14.757 -13.029 116 H GLY 13 H GLY 13 -19.084 11.327 -11.990 117 HA2 GLY 13 2HA GLY 13 -17.270 10.621 -14.161 118 HA3 GLY 13 3HA GLY 13 -16.567 10.572 -12.552 119 H ASN 14 H ASN 14 -16.571 8.309 -14.059 120 HA ASN 14 HA ASN 14 -18.251 6.517 -12.499 121 HB2 ASN 14 2HB ASN 14 -19.653 7.178 -14.476 122 HB3 ASN 14 3HB ASN 14 -18.421 6.491 -15.528 123 HD21 ASN 14 1HD2 ASN 14 -20.924 5.794 -13.216 124 HD22 ASN 14 2HD2 ASN 14 -21.039 4.108 -13.568 125 H THR 15 H THR 15 -16.964 4.877 -11.877 126 HA THR 15 HA THR 15 -14.344 4.577 -13.046 127 HB THR 15 HB THR 15 -14.604 4.385 -10.617 128 HG1 THR 15 HG1 THR 15 -13.884 1.769 -11.253 129 HG21 THR 15 3HG2 THR 15 -16.169 1.865 -11.211 130 HG22 THR 15 1HG2 THR 15 -16.826 3.356 -10.531 131 HG23 THR 15 2HG2 THR 15 -15.659 2.406 -9.614 132 H LYS 16 H LYS 16 -13.419 2.531 -13.760 133 HA LYS 16 HA LYS 16 -15.388 0.922 -15.248 134 HB2 LYS 16 2HB LYS 16 -12.451 1.427 -15.762 135 HB3 LYS 16 3HB LYS 16 -13.416 0.269 -16.674 136 HG2 LYS 16 2HG LYS 16 -14.914 2.075 -17.387 137 HG3 LYS 16 3HG LYS 16 -13.952 3.236 -16.478 138 HD2 LYS 16 2HD LYS 16 -12.680 1.543 -18.609 139 HD3 LYS 16 3HD LYS 16 -13.588 2.989 -19.041 140 HE2 LYS 16 2HE LYS 16 -11.285 3.595 -18.887 141 HE3 LYS 16 3HE LYS 16 -12.113 4.290 -17.496 142 HZ1 LYS 16 3HZ LYS 16 -11.257 2.504 -16.128 143 HZ2 LYS 16 1HZ LYS 16 -9.983 3.302 -16.902 144 HZ3 LYS 16 2HZ LYS 16 -10.502 1.795 -17.461 145 H VAL 17 H VAL 17 -14.130 -1.359 -15.826 146 HA VAL 17 HA VAL 17 -14.732 -2.830 -13.515 147 HB VAL 17 HB VAL 17 -15.186 -3.756 -15.675 148 HG11 VAL 17 1HG1 VAL 17 -12.200 -3.828 -16.133 149 HG12 VAL 17 2HG1 VAL 17 -13.362 -2.788 -16.957 150 HG13 VAL 17 3HG1 VAL 17 -13.419 -4.534 -17.195 151 HG21 VAL 17 3HG2 VAL 17 -14.268 -6.024 -15.411 152 HG22 VAL 17 1HG2 VAL 17 -14.827 -5.359 -13.877 153 HG23 VAL 17 2HG2 VAL 17 -13.103 -5.411 -14.239 154 H ARG 18 H ARG 18 -13.279 -1.962 -11.934 155 HA ARG 18 HA ARG 18 -11.651 -2.279 -10.400 156 HB2 ARG 18 2HB ARG 18 -11.545 -4.937 -11.813 157 HB3 ARG 18 3HB ARG 18 -10.565 -4.590 -10.397 158 HG2 ARG 18 2HG ARG 18 -12.673 -4.088 -9.151 159 HG3 ARG 18 3HG ARG 18 -13.573 -4.654 -10.561 160 HD2 ARG 18 2HD ARG 18 -12.580 -6.847 -10.368 161 HD3 ARG 18 3HD ARG 18 -11.525 -6.297 -9.069 162 HE ARG 18 HE ARG 18 -14.054 -5.817 -8.149 163 HH11 ARG 18 1HH1 ARG 18 -12.432 -8.599 -9.370 164 HH12 ARG 18 2HH1 ARG 18 -13.249 -9.680 -8.294 165 HH21 ARG 18 1HH2 ARG 18 -15.097 -7.219 -6.768 166 HH22 ARG 18 2HH2 ARG 18 -14.732 -8.911 -6.841 167 H LEU 19 H LEU 19 -9.283 -3.324 -10.166 168 HA LEU 19 HA LEU 19 -7.516 -1.785 -11.827 169 HB2 LEU 19 2HB LEU 19 -7.080 -2.013 -9.458 170 HB3 LEU 19 3HB LEU 19 -7.057 -3.759 -9.576 171 HG LEU 19 HG LEU 19 -5.002 -2.127 -11.059 172 HD11 LEU 19 1HD1 LEU 19 -3.515 -2.291 -9.116 173 HD12 LEU 19 2HD1 LEU 19 -4.838 -2.959 -8.158 174 HD13 LEU 19 3HD1 LEU 19 -4.935 -1.304 -8.763 175 HD21 LEU 19 3HD2 LEU 19 -3.629 -4.150 -10.678 176 HD22 LEU 19 1HD2 LEU 19 -5.109 -4.506 -11.570 177 HD23 LEU 19 2HD2 LEU 19 -4.995 -4.905 -9.857 178 H ALA 20 H ALA 20 -6.521 -2.436 -13.618 179 HA ALA 20 HA ALA 20 -5.702 -5.183 -14.010 180 HB1 ALA 20 3HB ALA 20 -6.831 -5.471 -16.164 181 HB2 ALA 20 1HB ALA 20 -7.640 -3.918 -15.957 182 HB3 ALA 20 2HB ALA 20 -7.999 -5.251 -14.861 183 H SER 21 H SER 21 -6.295 -2.643 -16.439 184 HA SER 21 HA SER 21 -3.465 -2.525 -17.089 185 HB2 SER 21 2HB SER 21 -5.817 -0.943 -18.168 186 HB3 SER 21 3HB SER 21 -4.172 -0.859 -18.797 187 HG SER 21 HG SER 21 -6.111 -2.695 -19.276 188 H ASP 22 H ASP 22 -5.829 -0.627 -15.351 189 HA ASP 22 HA ASP 22 -3.913 1.498 -14.764 190 HB2 ASP 22 2HB ASP 22 -6.401 1.883 -15.242 191 HB3 ASP 22 3HB ASP 22 -6.718 1.181 -13.661 192 H THR 23 H THR 23 -2.342 0.514 -13.461 193 HA THR 23 HA THR 23 -3.229 -1.063 -11.145 194 HB THR 23 HB THR 23 -0.447 -0.729 -12.303 195 HG1 THR 23 HG1 THR 23 -1.106 -3.196 -12.517 196 HG21 THR 23 3HG2 THR 23 -1.422 -2.567 -10.106 197 HG22 THR 23 1HG2 THR 23 -0.380 -1.160 -9.882 198 HG23 THR 23 2HG2 THR 23 0.201 -2.550 -10.799 199 H ARG 24 H ARG 24 -3.518 0.001 -9.296 200 HA ARG 24 HA ARG 24 -1.466 1.597 -8.123 201 HB2 ARG 24 2HB ARG 24 -3.222 2.976 -9.836 202 HB3 ARG 24 3HB ARG 24 -3.784 3.357 -8.215 203 HG2 ARG 24 2HG ARG 24 -1.709 4.324 -7.615 204 HG3 ARG 24 3HG ARG 24 -0.902 3.652 -9.034 205 HD2 ARG 24 2HD ARG 24 -3.125 5.698 -9.152 206 HD3 ARG 24 3HD ARG 24 -1.407 6.090 -9.215 207 HE ARG 24 HE ARG 24 -1.269 5.063 -11.332 208 HH11 ARG 24 1HH1 ARG 24 -4.501 5.178 -10.134 209 HH12 ARG 24 2HH1 ARG 24 -5.188 4.740 -11.660 210 HH21 ARG 24 1HH2 ARG 24 -2.174 4.594 -13.286 211 HH22 ARG 24 2HH2 ARG 24 -3.895 4.461 -13.430 212 H ILE 25 H ILE 25 -2.015 2.288 -5.911 213 HA ILE 25 HA ILE 25 -4.299 0.822 -4.754 214 HB ILE 25 HB ILE 25 -2.414 -0.650 -4.488 215 HG12 ILE 25 2HG1 ILE 25 -2.949 0.779 -1.864 216 HG13 ILE 25 3HG1 ILE 25 -3.952 -0.487 -2.565 217 HG21 ILE 25 1HG2 ILE 25 -0.605 0.928 -4.806 218 HG22 ILE 25 2HG2 ILE 25 -0.359 0.032 -3.309 219 HG23 ILE 25 3HG2 ILE 25 -0.957 1.690 -3.255 220 HD11 ILE 25 3HD1 ILE 25 -2.553 -1.356 -0.790 221 HD12 ILE 25 1HD1 ILE 25 -1.105 -0.801 -1.635 222 HD13 ILE 25 2HD1 ILE 25 -2.111 -2.070 -2.340 223 H ASN 26 H ASN 26 -5.258 1.745 -2.961 224 HA ASN 26 HA ASN 26 -4.622 4.480 -2.301 225 HB2 ASN 26 2HB ASN 26 -6.665 2.512 -1.268 226 HB3 ASN 26 3HB ASN 26 -6.452 4.098 -0.535 227 HD21 ASN 26 1HD2 ASN 26 -6.072 3.571 -3.971 228 HD22 ASN 26 2HD2 ASN 26 -7.497 4.430 -4.436 229 H VAL 27 H VAL 27 -2.805 4.807 -1.175 230 HA VAL 27 HA VAL 27 -2.113 2.996 1.038 231 HB VAL 27 HB VAL 27 -0.354 5.013 -0.381 232 HG11 VAL 27 1HG1 VAL 27 1.494 3.818 0.723 233 HG12 VAL 27 2HG1 VAL 27 0.320 2.829 1.592 234 HG13 VAL 27 3HG1 VAL 27 0.396 4.566 1.884 235 HG21 VAL 27 3HG2 VAL 27 0.671 3.091 -1.496 236 HG22 VAL 27 1HG2 VAL 27 -1.042 3.212 -1.891 237 HG23 VAL 27 2HG2 VAL 27 -0.490 2.013 -0.722 238 H VAL 28 H VAL 28 -2.354 3.679 3.062 239 HA VAL 28 HA VAL 28 -2.817 6.518 3.606 240 HB VAL 28 HB VAL 28 -3.098 4.140 5.472 241 HG11 VAL 28 1HG1 VAL 28 -2.701 6.213 6.690 242 HG12 VAL 28 2HG1 VAL 28 -4.376 5.699 6.896 243 HG13 VAL 28 3HG1 VAL 28 -3.989 7.015 5.789 244 HG21 VAL 28 3HG2 VAL 28 -4.688 4.011 3.616 245 HG22 VAL 28 1HG2 VAL 28 -5.217 5.661 3.937 246 HG23 VAL 28 2HG2 VAL 28 -5.521 4.392 5.122 247 H ASP 29 H ASP 29 -1.151 7.738 4.198 248 HA ASP 29 HA ASP 29 1.347 6.674 5.128 249 HB2 ASP 29 2HB ASP 29 1.038 8.765 3.726 250 HB3 ASP 29 3HB ASP 29 0.420 9.559 5.167 251 HA PRO 30 HA PRO 30 -0.249 6.651 9.372 252 HB2 PRO 30 2HB PRO 30 1.699 5.163 10.484 253 HB3 PRO 30 3HB PRO 30 0.490 4.446 9.405 254 HG2 PRO 30 2HG PRO 30 3.305 5.295 8.798 255 HG3 PRO 30 3HG PRO 30 2.460 3.810 8.320 256 HD2 PRO 30 2HD PRO 30 2.759 5.976 6.671 257 HD3 PRO 30 3HD PRO 30 1.403 4.836 6.554 258 H GLU 31 H GLU 31 2.680 8.025 8.198 259 HA GLU 31 HA GLU 31 3.571 9.006 10.795 260 HB2 GLU 31 2HB GLU 31 4.719 9.662 8.074 261 HB3 GLU 31 3HB GLU 31 5.505 9.828 9.639 262 HG2 GLU 31 2HG GLU 31 4.748 7.238 8.290 263 HG3 GLU 31 3HG GLU 31 6.371 7.908 8.422 264 H THR 32 H THR 32 2.286 10.347 7.752 265 HA THR 32 HA THR 32 1.911 12.957 9.090 266 HB THR 32 HB THR 32 1.766 13.999 6.944 267 HG1 THR 32 HG1 THR 32 1.278 12.948 5.170 268 HG21 THR 32 3HG2 THR 32 3.938 13.450 5.947 269 HG22 THR 32 1HG2 THR 32 3.994 11.952 6.881 270 HG23 THR 32 2HG2 THR 32 4.043 13.508 7.707 271 H GLY 33 H GLY 33 0.171 10.235 7.964 272 HA2 GLY 33 2HA GLY 33 -2.064 9.757 8.306 273 HA3 GLY 33 3HA GLY 33 -2.306 11.398 8.873 274 H LYS 34 H LYS 34 -0.838 11.063 5.755 275 HA LYS 34 HA LYS 34 -3.273 12.131 4.525 276 HB2 LYS 34 2HB LYS 34 -1.883 12.661 2.593 277 HB3 LYS 34 3HB LYS 34 -1.165 13.293 4.068 278 HG2 LYS 34 2HG LYS 34 0.486 11.557 4.096 279 HG3 LYS 34 3HG LYS 34 -0.312 10.709 2.769 280 HD2 LYS 34 2HD LYS 34 0.230 12.469 1.229 281 HD3 LYS 34 3HD LYS 34 0.840 13.491 2.532 282 HE2 LYS 34 2HE LYS 34 2.040 10.849 1.682 283 HE3 LYS 34 3HE LYS 34 2.648 12.438 1.220 284 HZ1 LYS 34 3HZ LYS 34 3.938 11.700 3.035 285 HZ2 LYS 34 1HZ LYS 34 2.582 11.254 3.940 286 HZ3 LYS 34 2HZ LYS 34 2.910 12.888 3.654 287 H VAL 35 H VAL 35 -4.060 11.321 2.459 288 HA VAL 35 HA VAL 35 -3.647 8.419 2.122 289 HB VAL 35 HB VAL 35 -5.936 10.122 1.100 290 HG11 VAL 35 1HG1 VAL 35 -5.575 7.122 1.136 291 HG12 VAL 35 2HG1 VAL 35 -5.511 8.157 -0.290 292 HG13 VAL 35 3HG1 VAL 35 -7.020 7.978 0.603 293 HG21 VAL 35 3HG2 VAL 35 -6.005 9.994 3.527 294 HG22 VAL 35 1HG2 VAL 35 -5.826 8.242 3.464 295 HG23 VAL 35 2HG2 VAL 35 -7.288 9.001 2.837 296 H GLU 36 H GLU 36 -2.154 8.020 0.598 297 HA GLU 36 HA GLU 36 -2.198 9.608 -1.902 298 HB2 GLU 36 2HB GLU 36 -0.129 9.985 -0.683 299 HB3 GLU 36 3HB GLU 36 0.131 8.255 -0.511 300 HG2 GLU 36 2HG GLU 36 1.590 9.080 -2.212 301 HG3 GLU 36 3HG GLU 36 0.355 8.082 -2.971 302 H ILE 37 H ILE 37 -2.174 8.512 -3.861 303 HA ILE 37 HA ILE 37 -2.727 5.625 -3.690 304 HB ILE 37 HB ILE 37 -3.221 7.470 -6.043 305 HG12 ILE 37 2HG1 ILE 37 -5.148 6.518 -3.895 306 HG13 ILE 37 3HG1 ILE 37 -4.550 8.163 -4.086 307 HG21 ILE 37 1HG2 ILE 37 -4.691 5.668 -6.831 308 HG22 ILE 37 2HG2 ILE 37 -4.231 4.686 -5.438 309 HG23 ILE 37 3HG2 ILE 37 -3.025 5.116 -6.652 310 HD11 ILE 37 3HD1 ILE 37 -5.666 8.302 -6.265 311 HD12 ILE 37 1HD1 ILE 37 -6.793 7.972 -4.950 312 HD13 ILE 37 2HD1 ILE 37 -6.298 6.671 -6.032 313 H ALA 38 H ALA 38 -0.958 4.406 -3.941 314 HA ALA 38 HA ALA 38 1.297 5.414 -5.526 315 HB1 ALA 38 3HB ALA 38 1.208 3.114 -3.574 316 HB2 ALA 38 1HB ALA 38 1.702 4.764 -3.194 317 HB3 ALA 38 2HB ALA 38 2.649 3.800 -4.325 318 H GLU 39 H GLU 39 2.428 4.125 -7.031 319 HA GLU 39 HA GLU 39 0.778 2.243 -8.519 320 HB2 GLU 39 2HB GLU 39 3.590 3.208 -9.111 321 HB3 GLU 39 3HB GLU 39 2.514 2.373 -10.224 322 HG2 GLU 39 2HG GLU 39 0.981 4.283 -10.176 323 HG3 GLU 39 3HG GLU 39 2.060 5.121 -9.062 324 H ILE 40 H ILE 40 0.968 0.057 -8.406 325 HA ILE 40 HA ILE 40 2.853 -1.066 -6.507 326 HB ILE 40 HB ILE 40 0.738 -2.469 -8.158 327 HG12 ILE 40 2HG1 ILE 40 0.634 -1.462 -5.294 328 HG13 ILE 40 3HG1 ILE 40 -0.219 -0.753 -6.662 329 HG21 ILE 40 1HG2 ILE 40 2.284 -3.408 -5.733 330 HG22 ILE 40 2HG2 ILE 40 2.463 -4.002 -7.382 331 HG23 ILE 40 3HG2 ILE 40 0.960 -4.283 -6.505 332 HD11 ILE 40 3HD1 ILE 40 -1.719 -2.094 -5.336 333 HD12 ILE 40 1HD1 ILE 40 -0.666 -3.497 -5.509 334 HD13 ILE 40 2HD1 ILE 40 -1.491 -2.837 -6.920 335 H ARG 41 H ARG 41 4.875 -1.559 -7.146 336 HA ARG 41 HA ARG 41 5.484 -2.357 -9.868 337 HB2 ARG 41 2HB ARG 41 7.391 -2.462 -7.524 338 HB3 ARG 41 3HB ARG 41 7.779 -2.311 -9.233 339 HG2 ARG 41 2HG ARG 41 6.597 -0.048 -9.134 340 HG3 ARG 41 3HG ARG 41 6.649 -0.230 -7.378 341 HD2 ARG 41 2HD ARG 41 8.950 -0.010 -9.308 342 HD3 ARG 41 3HD ARG 41 8.549 1.051 -7.960 343 HE ARG 41 HE ARG 41 9.204 -1.679 -7.240 344 HH11 ARG 41 1HH1 ARG 41 10.329 1.567 -7.589 345 HH12 ARG 41 2HH1 ARG 41 11.789 1.258 -6.722 346 HH21 ARG 41 1HH2 ARG 41 11.082 -2.054 -6.145 347 HH22 ARG 41 2HH2 ARG 41 12.213 -0.764 -5.908 348 H ASN 42 H ASN 42 5.805 -3.875 -6.651 349 HA ASN 42 HA ASN 42 5.605 -6.530 -7.937 350 HB2 ASN 42 2HB ASN 42 7.833 -6.197 -6.963 351 HB3 ASN 42 3HB ASN 42 7.112 -5.774 -5.414 352 HD21 ASN 42 1HD2 ASN 42 8.155 -7.429 -4.340 353 HD22 ASN 42 2HD2 ASN 42 7.691 -9.082 -4.528 354 H VAL 43 H VAL 43 4.385 -8.137 -6.835 355 HA VAL 43 HA VAL 43 2.256 -6.953 -5.159 356 HB VAL 43 HB VAL 43 0.760 -8.674 -6.088 357 HG11 VAL 43 1HG1 VAL 43 2.195 -7.054 -8.202 358 HG12 VAL 43 2HG1 VAL 43 0.877 -6.486 -7.175 359 HG13 VAL 43 3HG1 VAL 43 0.586 -7.760 -8.360 360 HG21 VAL 43 3HG2 VAL 43 2.376 -10.433 -6.548 361 HG22 VAL 43 1HG2 VAL 43 3.143 -9.436 -7.788 362 HG23 VAL 43 2HG2 VAL 43 1.496 -10.024 -8.020 363 H VAL 44 H VAL 44 4.873 -8.632 -4.503 364 HA VAL 44 HA VAL 44 3.573 -10.211 -2.406 365 HB VAL 44 HB VAL 44 3.809 -11.799 -4.237 366 HG11 VAL 44 1HG1 VAL 44 6.764 -11.172 -4.156 367 HG12 VAL 44 2HG1 VAL 44 5.647 -10.752 -5.455 368 HG13 VAL 44 3HG1 VAL 44 6.007 -12.446 -5.112 369 HG21 VAL 44 3HG2 VAL 44 4.067 -12.646 -1.967 370 HG22 VAL 44 1HG2 VAL 44 5.800 -12.307 -2.016 371 HG23 VAL 44 2HG2 VAL 44 5.112 -13.538 -3.076 372 H GLU 45 H GLU 45 4.664 -10.231 -0.517 373 HA GLU 45 HA GLU 45 7.152 -8.763 -0.287 374 HB2 GLU 45 2HB GLU 45 6.842 -9.034 2.133 375 HB3 GLU 45 3HB GLU 45 5.365 -8.448 1.377 376 HG2 GLU 45 2HG GLU 45 4.437 -10.710 1.426 377 HG3 GLU 45 3HG GLU 45 5.919 -11.299 2.175 378 H ASN 46 H ASN 46 8.780 -9.767 1.408 379 HA ASN 46 HA ASN 46 9.718 -12.287 0.300 380 HB2 ASN 46 2HB ASN 46 11.723 -11.882 1.697 381 HB3 ASN 46 3HB ASN 46 11.332 -10.493 0.694 382 HD21 ASN 46 1HD2 ASN 46 10.540 -8.615 1.676 383 HD22 ASN 46 2HD2 ASN 46 10.685 -8.350 3.379 384 H THR 47 H THR 47 7.315 -12.641 1.622 385 HA THR 47 HA THR 47 7.396 -13.118 4.381 386 HB THR 47 HB THR 47 5.290 -12.813 3.247 387 HG1 THR 47 HG1 THR 47 4.643 -13.950 4.906 388 HG21 THR 47 3HG2 THR 47 5.823 -13.895 1.112 389 HG22 THR 47 1HG2 THR 47 4.323 -14.530 1.793 390 HG23 THR 47 2HG2 THR 47 5.809 -15.471 1.905 391 H ALA 48 H ALA 48 8.294 -15.241 1.730 392 HA ALA 48 HA ALA 48 9.211 -17.255 3.608 393 HB1 ALA 48 3HB ALA 48 7.074 -17.946 1.588 394 HB2 ALA 48 1HB ALA 48 6.837 -17.822 3.330 395 HB3 ALA 48 2HB ALA 48 7.888 -19.074 2.671 396 H ASN 49 H ASN 49 10.400 -19.009 2.590 397 HA ASN 49 HA ASN 49 11.285 -18.482 -0.181 398 HB2 ASN 49 2HB ASN 49 13.514 -19.473 0.511 399 HB3 ASN 49 3HB ASN 49 13.150 -17.894 1.196 400 HD21 ASN 49 1HD2 ASN 49 14.927 -20.086 2.114 401 HD22 ASN 49 2HD2 ASN 49 14.430 -20.405 3.738 402 HA PRO 50 HA PRO 50 9.572 -22.745 0.159 403 HB2 PRO 50 2HB PRO 50 7.594 -22.565 -1.605 404 HB3 PRO 50 3HB PRO 50 7.477 -21.746 -0.042 405 HG2 PRO 50 2HG PRO 50 8.114 -20.605 -2.735 406 HG3 PRO 50 3HG PRO 50 7.131 -19.920 -1.427 407 HD2 PRO 50 2HD PRO 50 9.824 -19.315 -1.961 408 HD3 PRO 50 3HD PRO 50 8.946 -18.930 -0.470 409 H HIS 51 H HIS 51 8.720 -24.191 -1.895 410 HA HIS 51 HA HIS 51 11.049 -24.601 -3.550 411 HB2 HIS 51 2HB HIS 51 8.369 -26.010 -3.433 412 HB3 HIS 51 3HB HIS 51 9.713 -26.531 -4.444 413 HD1 HIS 51 HD1 HIS 51 10.122 -28.741 -3.289 414 HD2 HIS 51 HD2 HIS 51 10.207 -25.522 -0.667 415 HE1 HIS 51 HE1 HIS 51 10.965 -29.667 -1.118 416 HE2 HIS 51 HE2 HIS 51 10.811 -27.745 0.501 417 H PHE 52 H PHE 52 9.755 -25.524 -5.935 418 HA PHE 52 HA PHE 52 9.546 -23.084 -7.386 419 HB2 PHE 52 2HB PHE 52 8.723 -25.835 -8.352 420 HB3 PHE 52 3HB PHE 52 9.221 -24.462 -9.332 421 HD1 PHE 52 HD2 PHE 52 11.625 -23.630 -9.082 422 HD2 PHE 52 HD1 PHE 52 10.302 -27.403 -7.610 423 HE1 PHE 52 HE2 PHE 52 13.956 -24.419 -9.005 424 HE2 PHE 52 HE1 PHE 52 12.629 -28.192 -7.534 425 HZ PHE 52 HZ PHE 52 14.458 -26.700 -8.235 426 H VAL 53 H VAL 53 7.773 -22.166 -6.003 427 HA VAL 53 HA VAL 53 5.217 -22.428 -7.281 428 HB VAL 53 HB VAL 53 5.044 -24.369 -5.813 429 HG11 VAL 53 1HG1 VAL 53 5.612 -22.461 -3.538 430 HG12 VAL 53 2HG1 VAL 53 6.666 -23.754 -4.109 431 HG13 VAL 53 3HG1 VAL 53 5.117 -24.147 -3.361 432 HG21 VAL 53 3HG2 VAL 53 3.013 -23.069 -6.207 433 HG22 VAL 53 1HG2 VAL 53 3.366 -22.066 -4.797 434 HG23 VAL 53 2HG2 VAL 53 2.999 -23.780 -4.591 435 H ARG 54 H ARG 54 4.079 -20.570 -7.108 436 HA ARG 54 HA ARG 54 3.973 -18.896 -4.835 437 HB2 ARG 54 2HB ARG 54 5.255 -16.982 -5.474 438 HB3 ARG 54 3HB ARG 54 6.322 -18.365 -5.647 439 HG2 ARG 54 2HG ARG 54 4.857 -17.031 -7.923 440 HG3 ARG 54 3HG ARG 54 6.529 -16.709 -7.472 441 HD2 ARG 54 2HD ARG 54 5.442 -19.384 -8.359 442 HD3 ARG 54 3HD ARG 54 6.335 -18.257 -9.378 443 HE ARG 54 HE ARG 54 7.646 -19.203 -6.945 444 HH11 ARG 54 1HH1 ARG 54 7.366 -19.336 -10.383 445 HH12 ARG 54 2HH1 ARG 54 8.877 -20.159 -10.576 446 HH21 ARG 54 1HH2 ARG 54 9.570 -20.267 -7.222 447 HH22 ARG 54 2HH2 ARG 54 10.094 -20.700 -8.814 448 H ARG 55 H ARG 55 2.890 -16.666 -5.491 449 HA ARG 55 HA ARG 55 1.475 -16.828 -8.035 450 HB2 ARG 55 2HB ARG 55 -0.728 -16.793 -7.220 451 HB3 ARG 55 3HB ARG 55 0.073 -18.065 -6.313 452 HG2 ARG 55 2HG ARG 55 -0.420 -15.275 -5.275 453 HG3 ARG 55 3HG ARG 55 -1.477 -16.649 -4.976 454 HD2 ARG 55 2HD ARG 55 -0.262 -17.030 -3.144 455 HD3 ARG 55 3HD ARG 55 1.029 -17.569 -4.215 456 HE ARG 55 HE ARG 55 1.972 -15.342 -4.073 457 HH11 ARG 55 1HH1 ARG 55 -0.534 -16.049 -1.810 458 HH12 ARG 55 2HH1 ARG 55 0.031 -14.887 -0.656 459 HH21 ARG 55 1HH2 ARG 55 2.679 -13.854 -2.584 460 HH22 ARG 55 2HH2 ARG 55 1.827 -13.659 -1.090 461 H ASN 56 H ASN 56 0.300 -14.892 -8.610 462 HA ASN 56 HA ASN 56 1.659 -12.496 -7.581 463 HB2 ASN 56 2HB ASN 56 0.960 -11.454 -9.704 464 HB3 ASN 56 3HB ASN 56 1.854 -12.945 -9.982 465 HD21 ASN 56 1HD2 ASN 56 -0.058 -11.553 -11.698 466 HD22 ASN 56 2HD2 ASN 56 -1.304 -12.697 -12.043 467 H ILE 57 H ILE 57 -0.779 -13.839 -6.365 468 HA ILE 57 HA ILE 57 -2.896 -11.878 -6.748 469 HB ILE 57 HB ILE 57 -2.807 -14.289 -4.914 470 HG12 ILE 57 2HG1 ILE 57 -4.109 -13.934 -7.634 471 HG13 ILE 57 3HG1 ILE 57 -2.662 -14.884 -7.312 472 HG21 ILE 57 1HG2 ILE 57 -5.249 -14.008 -4.777 473 HG22 ILE 57 2HG2 ILE 57 -5.128 -12.536 -5.741 474 HG23 ILE 57 3HG2 ILE 57 -4.393 -12.604 -4.140 475 HD11 ILE 57 3HD1 ILE 57 -5.416 -15.436 -6.229 476 HD12 ILE 57 1HD1 ILE 57 -3.967 -16.384 -5.898 477 HD13 ILE 57 2HD1 ILE 57 -4.612 -16.300 -7.539 478 H ILE 58 H ILE 58 -2.926 -10.042 -5.610 479 HA ILE 58 HA ILE 58 -1.375 -9.617 -3.241 480 HB ILE 58 HB ILE 58 -3.607 -7.884 -4.345 481 HG12 ILE 58 2HG1 ILE 58 -0.628 -7.781 -4.916 482 HG13 ILE 58 3HG1 ILE 58 -1.863 -8.322 -6.046 483 HG21 ILE 58 1HG2 ILE 58 -2.460 -6.068 -3.151 484 HG22 ILE 58 2HG2 ILE 58 -1.297 -7.226 -2.509 485 HG23 ILE 58 3HG2 ILE 58 -2.995 -7.338 -2.049 486 HD11 ILE 58 3HD1 ILE 58 -1.159 -6.070 -6.563 487 HD12 ILE 58 1HD1 ILE 58 -1.566 -5.540 -4.931 488 HD13 ILE 58 2HD1 ILE 58 -2.841 -6.072 -6.030 489 H THR 59 H THR 59 -1.942 -10.059 -1.177 490 HA THR 59 HA THR 59 -4.772 -10.716 -0.608 491 HB THR 59 HB THR 59 -4.022 -12.405 0.979 492 HG1 THR 59 HG1 THR 59 -1.488 -12.749 0.543 493 HG21 THR 59 3HG2 THR 59 -2.610 -12.678 -1.680 494 HG22 THR 59 1HG2 THR 59 -4.285 -13.115 -1.348 495 HG23 THR 59 2HG2 THR 59 -2.973 -14.003 -0.574 496 H ARG 60 H ARG 60 -5.464 -10.464 1.640 497 HA ARG 60 HA ARG 60 -4.841 -7.904 2.674 498 HB2 ARG 60 2HB ARG 60 -7.034 -9.004 2.956 499 HB3 ARG 60 3HB ARG 60 -6.295 -10.195 4.018 500 HG2 ARG 60 2HG ARG 60 -5.687 -8.357 5.579 501 HG3 ARG 60 3HG ARG 60 -6.567 -7.236 4.537 502 HD2 ARG 60 2HD ARG 60 -8.608 -8.626 4.866 503 HD3 ARG 60 3HD ARG 60 -7.703 -9.606 6.021 504 HE ARG 60 HE ARG 60 -7.693 -6.804 6.650 505 HH11 ARG 60 1HH1 ARG 60 -9.431 -9.762 6.977 506 HH12 ARG 60 2HH1 ARG 60 -10.304 -9.226 8.367 507 HH21 ARG 60 1HH2 ARG 60 -8.826 -6.122 8.431 508 HH22 ARG 60 2HH2 ARG 60 -9.974 -7.177 9.172 509 H GLY 61 H GLY 61 -3.524 -7.240 4.321 510 HA2 GLY 61 2HA GLY 61 -2.054 -7.405 6.118 511 HA3 GLY 61 3HA GLY 61 -2.236 -9.149 6.088 512 H ALA 62 H ALA 62 -1.593 -8.761 3.021 513 HA ALA 62 HA ALA 62 1.203 -9.386 3.302 514 HB1 ALA 62 3HB ALA 62 -0.468 -9.070 0.806 515 HB2 ALA 62 1HB ALA 62 -0.203 -10.576 1.686 516 HB3 ALA 62 2HB ALA 62 1.149 -9.770 0.890 517 H VAL 63 H VAL 63 2.957 -8.238 2.444 518 HA VAL 63 HA VAL 63 2.493 -5.352 2.113 519 HB VAL 63 HB VAL 63 5.087 -6.819 2.665 520 HG11 VAL 63 1HG1 VAL 63 5.463 -4.715 1.499 521 HG12 VAL 63 2HG1 VAL 63 5.986 -4.586 3.178 522 HG13 VAL 63 3HG1 VAL 63 4.458 -3.862 2.674 523 HG21 VAL 63 3HG2 VAL 63 3.551 -7.010 4.548 524 HG22 VAL 63 1HG2 VAL 63 3.289 -5.264 4.540 525 HG23 VAL 63 2HG2 VAL 63 4.877 -5.919 4.949 526 H VAL 64 H VAL 64 2.503 -4.547 0.109 527 HA VAL 64 HA VAL 64 3.902 -5.996 -2.038 528 HB VAL 64 HB VAL 64 2.535 -4.699 -3.610 529 HG11 VAL 64 1HG1 VAL 64 1.675 -6.833 -2.798 530 HG12 VAL 64 2HG1 VAL 64 0.353 -5.698 -3.085 531 HG13 VAL 64 3HG1 VAL 64 0.899 -6.019 -1.438 532 HG21 VAL 64 3HG2 VAL 64 2.296 -2.636 -2.312 533 HG22 VAL 64 1HG2 VAL 64 1.266 -3.473 -1.149 534 HG23 VAL 64 2HG2 VAL 64 0.719 -3.248 -2.811 535 H GLU 65 H GLU 65 5.094 -4.763 -3.645 536 HA GLU 65 HA GLU 65 6.571 -2.548 -2.399 537 HB2 GLU 65 2HB GLU 65 7.876 -4.476 -3.207 538 HB3 GLU 65 3HB GLU 65 7.248 -4.224 -4.829 539 HG2 GLU 65 2HG GLU 65 8.320 -1.985 -4.846 540 HG3 GLU 65 3HG GLU 65 9.034 -2.357 -3.277 541 H THR 66 H THR 66 5.655 -0.626 -2.850 542 HA THR 66 HA THR 66 4.632 -0.096 -5.567 543 HB THR 66 HB THR 66 3.435 1.790 -4.642 544 HG1 THR 66 HG1 THR 66 4.331 1.177 -2.029 545 HG21 THR 66 3HG2 THR 66 3.128 -0.611 -2.824 546 HG22 THR 66 1HG2 THR 66 2.365 -0.411 -4.406 547 HG23 THR 66 2HG2 THR 66 1.933 0.664 -3.074 548 H ASN 67 H ASN 67 4.922 2.247 -6.288 549 HA ASN 67 HA ASN 67 7.620 2.850 -6.666 550 HB2 ASN 67 2HB ASN 67 6.809 5.029 -7.547 551 HB3 ASN 67 3HB ASN 67 5.905 3.659 -8.184 552 HD21 ASN 67 1HD2 ASN 67 5.115 6.445 -7.980 553 HD22 ASN 67 2HD2 ASN 67 3.664 6.464 -7.042 554 H LEU 68 H LEU 68 5.401 3.904 -4.156 555 HA LEU 68 HA LEU 68 7.194 5.853 -3.023 556 HB2 LEU 68 2HB LEU 68 4.778 4.503 -1.802 557 HB3 LEU 68 3HB LEU 68 5.618 5.889 -1.129 558 HG LEU 68 HG LEU 68 4.068 5.828 -3.725 559 HD11 LEU 68 1HD1 LEU 68 2.527 7.330 -2.589 560 HD12 LEU 68 2HD1 LEU 68 3.484 7.217 -1.109 561 HD13 LEU 68 3HD1 LEU 68 2.655 5.789 -1.736 562 HD21 LEU 68 3HD2 LEU 68 4.479 8.239 -3.824 563 HD22 LEU 68 1HD2 LEU 68 5.986 7.328 -3.902 564 HD23 LEU 68 2HD2 LEU 68 5.517 8.128 -2.402 565 H GLY 69 H GLY 69 6.469 2.449 -2.475 566 HA2 GLY 69 2HA GLY 69 8.722 1.449 -1.523 567 HA3 GLY 69 3HA GLY 69 8.205 2.358 -0.110 568 H ASN 70 H ASN 70 7.970 0.494 1.164 569 HA ASN 70 HA ASN 70 6.377 -1.736 0.304 570 HB2 ASN 70 2HB ASN 70 7.406 -1.039 3.068 571 HB3 ASN 70 3HB ASN 70 6.757 -2.601 2.572 572 HD21 ASN 70 1HD2 ASN 70 8.038 -2.542 -0.041 573 HD22 ASN 70 2HD2 ASN 70 9.712 -2.842 0.247 574 H VAL 71 H VAL 71 4.236 -2.033 0.522 575 HA VAL 71 HA VAL 71 2.738 -0.319 2.408 576 HB VAL 71 HB VAL 71 1.892 -1.045 -0.411 577 HG11 VAL 71 1HG1 VAL 71 -0.024 -1.038 1.100 578 HG12 VAL 71 2HG1 VAL 71 -0.084 0.351 0.018 579 HG13 VAL 71 3HG1 VAL 71 0.426 0.561 1.691 580 HG21 VAL 71 3HG2 VAL 71 2.006 1.368 -0.839 581 HG22 VAL 71 1HG2 VAL 71 3.578 0.720 -0.364 582 HG23 VAL 71 2HG2 VAL 71 2.611 1.631 0.798 583 H ARG 72 H ARG 72 1.442 -1.425 3.767 584 HA ARG 72 HA ARG 72 1.087 -4.307 3.325 585 HB2 ARG 72 2HB ARG 72 2.046 -3.508 5.473 586 HB3 ARG 72 3HB ARG 72 0.545 -2.663 5.812 587 HG2 ARG 72 2HG ARG 72 -0.665 -4.748 5.927 588 HG3 ARG 72 3HG ARG 72 0.770 -5.647 5.430 589 HD2 ARG 72 2HD ARG 72 0.576 -3.992 7.952 590 HD3 ARG 72 3HD ARG 72 0.311 -5.733 7.878 591 HE ARG 72 HE ARG 72 2.775 -5.430 6.795 592 HH11 ARG 72 1HH1 ARG 72 1.358 -4.335 9.740 593 HH12 ARG 72 2HH1 ARG 72 2.836 -4.463 10.627 594 HH21 ARG 72 1HH2 ARG 72 4.690 -5.583 7.959 595 HH22 ARG 72 2HH2 ARG 72 4.695 -5.147 9.630 596 H VAL 73 H VAL 73 -0.774 -5.088 2.574 597 HA VAL 73 HA VAL 73 -3.014 -3.467 1.979 598 HB VAL 73 HB VAL 73 -2.986 -6.489 2.131 599 HG11 VAL 73 1HG1 VAL 73 -4.661 -4.613 0.458 600 HG12 VAL 73 2HG1 VAL 73 -5.209 -5.474 1.897 601 HG13 VAL 73 3HG1 VAL 73 -4.743 -6.376 0.454 602 HG21 VAL 73 3HG2 VAL 73 -1.098 -5.698 0.777 603 HG22 VAL 73 1HG2 VAL 73 -2.206 -4.737 -0.205 604 HG23 VAL 73 2HG2 VAL 73 -2.319 -6.500 -0.215 605 H THR 74 H THR 74 -4.888 -3.051 3.056 606 HA THR 74 HA THR 74 -5.166 -4.091 5.790 607 HB THR 74 HB THR 74 -6.824 -2.298 6.123 608 HG1 THR 74 HG1 THR 74 -7.550 -1.116 4.485 609 HG21 THR 74 3HG2 THR 74 -4.252 -1.304 4.869 610 HG22 THR 74 1HG2 THR 74 -4.452 -1.807 6.548 611 HG23 THR 74 2HG2 THR 74 -5.298 -0.381 5.949 612 H SER 75 H SER 75 -7.216 -3.623 2.901 613 HA SER 75 HA SER 75 -9.163 -5.539 4.021 614 HB2 SER 75 2HB SER 75 -9.456 -3.486 1.809 615 HB3 SER 75 3HB SER 75 -10.719 -4.621 2.283 616 HG SER 75 HG SER 75 -11.126 -2.781 3.409 617 H ARG 76 H ARG 76 -10.474 -6.457 1.821 618 HA ARG 76 HA ARG 76 -8.555 -8.254 0.602 619 HB2 ARG 76 2HB ARG 76 -11.555 -8.045 0.556 620 HB3 ARG 76 3HB ARG 76 -10.732 -9.035 -0.639 621 HG2 ARG 76 2HG ARG 76 -11.454 -10.419 1.182 622 HG3 ARG 76 3HG ARG 76 -9.694 -10.337 1.183 623 HD2 ARG 76 2HD ARG 76 -10.580 -10.176 3.449 624 HD3 ARG 76 3HD ARG 76 -9.772 -8.679 2.987 625 HE ARG 76 HE ARG 76 -12.404 -8.270 2.373 626 HH11 ARG 76 1HH1 ARG 76 -10.743 -9.225 5.228 627 HH12 ARG 76 2HH1 ARG 76 -11.849 -8.403 6.274 628 HH21 ARG 76 1HH2 ARG 76 -13.828 -7.258 3.707 629 HH22 ARG 76 2HH2 ARG 76 -13.591 -7.306 5.420 630 HA PRO 77 HA PRO 77 -7.842 -5.276 -2.706 631 HB2 PRO 77 2HB PRO 77 -6.301 -7.544 -3.848 632 HB3 PRO 77 3HB PRO 77 -5.789 -5.888 -3.509 633 HG2 PRO 77 2HG PRO 77 -4.990 -7.902 -1.975 634 HG3 PRO 77 3HG PRO 77 -5.394 -6.329 -1.267 635 HD2 PRO 77 2HD PRO 77 -7.009 -8.856 -1.332 636 HD3 PRO 77 3HD PRO 77 -6.796 -7.689 -0.005 637 H GLY 78 H GLY 78 -9.705 -5.061 -3.863 638 HA2 GLY 78 2HA GLY 78 -10.135 -5.779 -6.348 639 HA3 GLY 78 3HA GLY 78 -10.606 -7.279 -5.570 640 H GLN 79 H GLN 79 -11.759 -5.957 -3.247 641 HA GLN 79 HA GLN 79 -14.415 -5.716 -4.125 642 HB2 GLN 79 2HB GLN 79 -13.153 -4.764 -1.545 643 HB3 GLN 79 3HB GLN 79 -14.885 -4.887 -1.830 644 HG2 GLN 79 2HG GLN 79 -12.923 -7.179 -1.856 645 HG3 GLN 79 3HG GLN 79 -14.049 -6.791 -0.557 646 HE21 GLN 79 1HE2 GLN 79 -13.806 -9.210 -2.171 647 HE22 GLN 79 2HE2 GLN 79 -15.352 -9.449 -2.900 648 H ASP 80 H ASP 80 -15.655 -4.055 -4.756 649 HA ASP 80 HA ASP 80 -16.247 -2.038 -5.609 650 HB2 ASP 80 2HB ASP 80 -14.363 -0.856 -3.556 651 HB3 ASP 80 3HB ASP 80 -15.733 -0.055 -4.323 652 H GLY 81 H GLY 81 -13.452 -3.365 -6.264 653 HA2 GLY 81 2HA GLY 81 -12.020 -3.026 -8.053 654 HA3 GLY 81 3HA GLY 81 -12.750 -1.452 -8.311 655 H VAL 82 H VAL 82 -11.891 -1.591 -5.095 656 HA VAL 82 HA VAL 82 -9.378 -0.148 -5.693 657 HB VAL 82 HB VAL 82 -11.169 1.337 -4.917 658 HG11 VAL 82 1HG1 VAL 82 -12.025 1.182 -2.614 659 HG12 VAL 82 2HG1 VAL 82 -11.142 -0.326 -2.391 660 HG13 VAL 82 3HG1 VAL 82 -12.450 -0.237 -3.569 661 HG21 VAL 82 3HG2 VAL 82 -9.936 2.439 -3.095 662 HG22 VAL 82 1HG2 VAL 82 -8.860 1.923 -4.394 663 HG23 VAL 82 2HG2 VAL 82 -8.945 0.995 -2.897 664 H ILE 83 H ILE 83 -7.575 -0.473 -4.440 665 HA ILE 83 HA ILE 83 -7.715 -2.574 -2.365 666 HB ILE 83 HB ILE 83 -5.280 -1.740 -3.978 667 HG12 ILE 83 2HG1 ILE 83 -5.501 -4.188 -4.816 668 HG13 ILE 83 3HG1 ILE 83 -7.163 -4.087 -4.251 669 HG21 ILE 83 1HG2 ILE 83 -5.646 -3.934 -1.933 670 HG22 ILE 83 2HG2 ILE 83 -4.656 -2.481 -1.764 671 HG23 ILE 83 3HG2 ILE 83 -4.214 -3.718 -2.941 672 HD11 ILE 83 3HD1 ILE 83 -5.884 -2.333 -6.335 673 HD12 ILE 83 1HD1 ILE 83 -7.551 -2.206 -5.767 674 HD13 ILE 83 2HD1 ILE 83 -7.016 -3.655 -6.622 675 H ASN 84 H ASN 84 -7.368 -1.924 -0.322 676 HA ASN 84 HA ASN 84 -6.156 0.715 0.163 677 HB2 ASN 84 2HB ASN 84 -7.931 -1.059 1.843 678 HB3 ASN 84 3HB ASN 84 -7.127 0.363 2.497 679 HD21 ASN 84 1HD2 ASN 84 -9.182 1.225 2.953 680 HD22 ASN 84 2HD2 ASN 84 -10.148 1.942 1.715 681 H GLY 85 H GLY 85 -4.382 1.015 1.506 682 HA2 GLY 85 2HA GLY 85 -3.249 -1.187 3.023 683 HA3 GLY 85 3HA GLY 85 -2.307 -0.722 1.616 684 H VAL 86 H VAL 86 -0.992 -0.532 3.919 685 HA VAL 86 HA VAL 86 -1.090 2.328 4.692 686 HB VAL 86 HB VAL 86 0.148 0.128 6.358 687 HG11 VAL 86 1HG1 VAL 86 -0.715 2.939 7.045 688 HG12 VAL 86 2HG1 VAL 86 0.943 2.368 6.856 689 HG13 VAL 86 3HG1 VAL 86 -0.051 1.763 8.180 690 HG21 VAL 86 3HG2 VAL 86 -2.655 1.237 6.597 691 HG22 VAL 86 1HG2 VAL 86 -1.877 0.138 7.739 692 HG23 VAL 86 2HG2 VAL 86 -2.217 -0.398 6.095 693 H LEU 87 H LEU 87 0.779 3.551 4.587 694 HA LEU 87 HA LEU 87 2.964 2.514 3.003 695 HB2 LEU 87 2HB LEU 87 2.103 4.816 2.715 696 HB3 LEU 87 3HB LEU 87 2.629 5.207 4.341 697 HG LEU 87 HG LEU 87 4.974 4.834 3.667 698 HD11 LEU 87 1HD1 LEU 87 4.621 3.201 1.895 699 HD12 LEU 87 2HD1 LEU 87 5.545 4.582 1.300 700 HD13 LEU 87 3HD1 LEU 87 3.834 4.430 0.901 701 HD21 LEU 87 3HD2 LEU 87 4.030 7.080 3.570 702 HD22 LEU 87 1HD2 LEU 87 3.479 6.792 1.918 703 HD23 LEU 87 2HD2 LEU 87 5.207 6.837 2.279 704 H ILE 88 H ILE 88 4.442 1.224 3.982 705 HA ILE 88 HA ILE 88 5.619 2.118 6.540 706 HB ILE 88 HB ILE 88 5.697 -0.185 7.363 707 HG12 ILE 88 2HG1 ILE 88 4.125 -0.865 4.861 708 HG13 ILE 88 3HG1 ILE 88 5.769 -1.375 5.221 709 HG21 ILE 88 1HG2 ILE 88 3.789 1.233 7.968 710 HG22 ILE 88 2HG2 ILE 88 3.338 -0.472 7.895 711 HG23 ILE 88 3HG2 ILE 88 2.894 0.616 6.579 712 HD11 ILE 88 3HD1 ILE 88 4.219 -3.178 5.601 713 HD12 ILE 88 1HD1 ILE 88 3.287 -2.181 6.717 714 HD13 ILE 88 2HD1 ILE 88 4.932 -2.663 7.131 715 H ARG 89 H ARG 89 7.502 0.278 6.973 716 HA ARG 89 HA ARG 89 9.015 -0.160 4.497 717 HB2 ARG 89 2HB ARG 89 10.074 1.226 6.968 718 HB3 ARG 89 3HB ARG 89 11.125 0.512 5.753 719 HG2 ARG 89 2HG ARG 89 9.168 2.769 5.324 720 HG3 ARG 89 3HG ARG 89 10.927 2.892 5.394 721 HD2 ARG 89 2HD ARG 89 11.057 1.403 3.409 722 HD3 ARG 89 3HD ARG 89 9.297 1.433 3.309 723 HE ARG 89 HE ARG 89 11.126 3.648 2.739 724 HH11 ARG 89 1HH1 ARG 89 7.864 2.519 2.940 725 HH12 ARG 89 2HH1 ARG 89 7.273 3.755 1.885 726 HH21 ARG 89 1HH2 ARG 89 10.354 5.188 1.380 727 HH22 ARG 89 2HH2 ARG 89 8.663 5.237 0.995 728 H GLU 90 H GLU 90 9.105 -2.308 4.425 729 HA GLU 90 HA GLU 90 9.672 -3.845 6.870 730 HB2 GLU 90 2HB GLU 90 8.663 -4.773 4.166 731 HB3 GLU 90 3HB GLU 90 8.907 -5.806 5.566 732 HG2 GLU 90 2HG GLU 90 6.992 -3.481 5.500 733 HG3 GLU 90 3HG GLU 90 6.539 -5.143 5.140 734 H LEU 91 H LEU 91 11.082 -2.805 3.915 735 HA LEU 91 HA LEU 91 13.171 -4.859 3.977 736 HB2 LEU 91 2HB LEU 91 12.598 -2.683 1.959 737 HB3 LEU 91 3HB LEU 91 13.873 -3.879 1.810 738 HG LEU 91 HG LEU 91 10.902 -4.471 1.846 739 HD11 LEU 91 1HD1 LEU 91 11.208 -5.074 -0.502 740 HD12 LEU 91 2HD1 LEU 91 12.898 -4.579 -0.419 741 HD13 LEU 91 3HD1 LEU 91 11.618 -3.383 -0.220 742 HD21 LEU 91 3HD2 LEU 91 13.259 -6.321 1.448 743 HD22 LEU 91 1HD2 LEU 91 11.561 -6.762 1.276 744 HD23 LEU 91 2HD2 LEU 91 12.191 -6.284 2.851 745 H GLU 92 H GLU 92 15.379 -3.702 3.069 746 HA GLU 92 HA GLU 92 16.513 -2.513 5.344 747 HB2 GLU 92 2HB GLU 92 17.868 -3.786 3.791 748 HB3 GLU 92 3HB GLU 92 17.529 -2.642 2.498 749 HG2 GLU 92 2HG GLU 92 18.696 -0.888 3.865 750 HG3 GLU 92 3HG GLU 92 19.179 -2.167 4.977 751 H HIS 93 H HIS 93 17.016 -0.454 5.913 752 HA HIS 93 HA HIS 93 16.053 1.778 4.292 753 HB2 HIS 93 2HB HIS 93 17.418 1.754 7.004 754 HB3 HIS 93 3HB HIS 93 16.723 3.170 6.221 755 HD1 HIS 93 HD1 HIS 93 15.670 -0.124 7.755 756 HD2 HIS 93 HD2 HIS 93 14.026 3.522 6.645 757 HE1 HIS 93 HE1 HIS 93 13.327 -0.151 8.645 758 HE2 HIS 93 HE2 HIS 93 12.461 2.169 8.187 759 H HIS 94 H HIS 94 17.388 2.138 2.585 760 HA HIS 94 HA HIS 94 20.098 1.365 2.506 761 HB2 HIS 94 2HB HIS 94 18.642 3.300 0.690 762 HB3 HIS 94 3HB HIS 94 20.173 2.508 0.329 763 HD1 HIS 94 HD1 HIS 94 19.824 -0.323 0.679 764 HD2 HIS 94 HD2 HIS 94 16.627 2.021 -0.565 765 HE1 HIS 94 HE1 HIS 94 18.232 -1.901 -0.442 766 HE2 HIS 94 HE2 HIS 94 16.225 -0.494 -1.001 767 H HIS 95 H HIS 95 21.865 2.321 3.314 768 HA HIS 95 HA HIS 95 22.120 5.214 3.262 769 HB2 HIS 95 2HB HIS 95 22.705 5.424 5.641 770 HB3 HIS 95 3HB HIS 95 21.054 4.857 5.436 771 HD1 HIS 95 HD1 HIS 95 20.996 2.003 5.538 772 HD2 HIS 95 HD2 HIS 95 23.993 4.051 7.562 773 HE1 HIS 95 HE1 HIS 95 21.840 0.410 7.282 774 HE2 HIS 95 HE2 HIS 95 23.557 1.715 8.574 775 H HIS 96 H HIS 96 23.739 4.721 1.714 776 HA HIS 96 HA HIS 96 26.237 3.593 2.786 777 HB2 HIS 96 2HB HIS 96 25.472 2.743 0.596 778 HB3 HIS 96 3HB HIS 96 25.500 4.377 -0.054 779 HD1 HIS 96 HD1 HIS 96 27.774 1.575 0.982 780 HD2 HIS 96 HD2 HIS 96 28.034 5.319 -0.801 781 HE1 HIS 96 HE1 HIS 96 30.105 1.726 0.078 782 HE2 HIS 96 HE2 HIS 96 30.285 4.035 -0.887 783 H HIS 97 H HIS 97 27.411 5.096 3.864 784 HA HIS 97 HA HIS 97 27.175 7.871 3.559 785 HB2 HIS 97 2HB HIS 97 28.081 6.897 5.594 786 HB3 HIS 97 3HB HIS 97 29.468 6.260 4.711 787 HD1 HIS 97 HD1 HIS 97 27.994 9.526 5.915 788 HD2 HIS 97 HD2 HIS 97 31.557 8.041 4.369 789 HE1 HIS 97 HE1 HIS 97 29.646 11.406 6.100 790 HE2 HIS 97 HE2 HIS 97 31.760 10.524 5.065 791 H HIS 98 H HIS 98 27.906 9.251 2.083 792 HA HIS 98 HA HIS 98 29.931 8.462 0.141 793 HB2 HIS 98 2HB HIS 98 27.985 9.618 -0.710 794 HB3 HIS 98 3HB HIS 98 28.215 10.943 0.424 795 HD1 HIS 98 HD1 HIS 98 29.873 12.764 -0.210 796 HD2 HIS 98 HD2 HIS 98 29.759 9.636 -2.943 797 HE1 HIS 98 HE1 HIS 98 31.143 13.577 -2.213 798 HE2 HIS 98 HE2 HIS 98 30.965 11.718 -3.894 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -62.311 7.760 -14.410 2 H2 GLY 1 2H GLY 1 -62.542 7.857 -16.084 3 H3 GLY 1 3H GLY 1 -61.622 9.030 -15.290 4 HA2 GLY 1 2HA GLY 1 -60.898 6.161 -15.509 5 HA3 GLY 1 3HA GLY 1 -60.226 7.445 -16.503 6 H ASP 2 H ASP 2 -58.308 6.163 -15.340 7 HA ASP 2 HA ASP 2 -57.724 7.341 -12.718 8 HB2 ASP 2 2HB ASP 2 -57.404 4.865 -13.217 9 HB3 ASP 2 3HB ASP 2 -56.057 5.333 -14.249 10 H ARG 3 H ARG 3 -56.479 9.109 -12.552 11 HA ARG 3 HA ARG 3 -54.804 9.890 -14.859 12 HB2 ARG 3 2HB ARG 3 -55.899 11.650 -12.651 13 HB3 ARG 3 3HB ARG 3 -55.005 12.190 -14.064 14 HG2 ARG 3 2HG ARG 3 -57.753 10.943 -14.052 15 HG3 ARG 3 3HG ARG 3 -57.362 12.639 -14.337 16 HD2 ARG 3 2HD ARG 3 -56.669 10.276 -16.083 17 HD3 ARG 3 3HD ARG 3 -57.779 11.594 -16.458 18 HE ARG 3 HE ARG 3 -54.953 12.220 -16.010 19 HH11 ARG 3 1HH1 ARG 3 -57.652 12.078 -18.147 20 HH12 ARG 3 2HH1 ARG 3 -56.790 12.827 -19.445 21 HH21 ARG 3 1HH2 ARG 3 -53.877 13.193 -17.670 22 HH22 ARG 3 2HH2 ARG 3 -54.673 13.443 -19.185 23 H ARG 4 H ARG 4 -54.254 8.261 -12.177 24 HA ARG 4 HA ARG 4 -52.403 9.886 -10.727 25 HB2 ARG 4 2HB ARG 4 -53.010 6.932 -10.645 26 HB3 ARG 4 3HB ARG 4 -51.817 7.688 -9.594 27 HG2 ARG 4 2HG ARG 4 -53.531 9.122 -8.632 28 HG3 ARG 4 3HG ARG 4 -54.739 8.443 -9.725 29 HD2 ARG 4 2HD ARG 4 -53.192 6.853 -7.672 30 HD3 ARG 4 3HD ARG 4 -54.817 7.494 -7.424 31 HE ARG 4 HE ARG 4 -54.855 5.981 -9.760 32 HH11 ARG 4 1HH1 ARG 4 -54.393 5.481 -6.382 33 HH12 ARG 4 2HH1 ARG 4 -55.014 3.867 -6.430 34 HH21 ARG 4 1HH2 ARG 4 -55.672 3.949 -9.803 35 HH22 ARG 4 2HH2 ARG 4 -55.754 3.015 -8.347 36 H VAL 5 H VAL 5 -50.140 9.451 -10.389 37 HA VAL 5 HA VAL 5 -48.773 9.244 -12.932 38 HB VAL 5 HB VAL 5 -47.617 9.803 -10.186 39 HG11 VAL 5 1HG1 VAL 5 -45.915 9.126 -11.791 40 HG12 VAL 5 2HG1 VAL 5 -45.759 10.842 -11.416 41 HG13 VAL 5 3HG1 VAL 5 -46.489 10.334 -12.942 42 HG21 VAL 5 3HG2 VAL 5 -47.741 12.182 -10.820 43 HG22 VAL 5 1HG2 VAL 5 -49.337 11.436 -10.721 44 HG23 VAL 5 2HG2 VAL 5 -48.600 11.733 -12.294 45 H ARG 6 H ARG 6 -46.927 7.912 -13.347 46 HA ARG 6 HA ARG 6 -47.169 5.203 -12.579 47 HB2 ARG 6 2HB ARG 6 -45.108 4.846 -13.848 48 HB3 ARG 6 3HB ARG 6 -46.196 5.912 -14.728 49 HG2 ARG 6 2HG ARG 6 -44.893 7.849 -14.077 50 HG3 ARG 6 3HG ARG 6 -43.852 6.842 -13.070 51 HD2 ARG 6 2HD ARG 6 -42.737 7.331 -15.159 52 HD3 ARG 6 3HD ARG 6 -43.129 5.614 -15.081 53 HE ARG 6 HE ARG 6 -45.112 7.192 -16.440 54 HH11 ARG 6 1HH1 ARG 6 -42.145 5.476 -16.809 55 HH12 ARG 6 2HH1 ARG 6 -42.373 5.249 -18.507 56 HH21 ARG 6 1HH2 ARG 6 -45.387 6.893 -18.610 57 HH22 ARG 6 2HH2 ARG 6 -44.183 6.039 -19.515 58 H LEU 7 H LEU 7 -45.940 3.897 -11.225 59 HA LEU 7 HA LEU 7 -44.262 5.300 -9.234 60 HB2 LEU 7 2HB LEU 7 -45.820 2.728 -8.909 61 HB3 LEU 7 3HB LEU 7 -44.900 3.542 -7.657 62 HG LEU 7 HG LEU 7 -47.402 4.595 -8.994 63 HD11 LEU 7 1HD1 LEU 7 -48.438 4.288 -6.802 64 HD12 LEU 7 2HD1 LEU 7 -46.940 3.590 -6.185 65 HD13 LEU 7 3HD1 LEU 7 -47.845 2.760 -7.453 66 HD21 LEU 7 3HD2 LEU 7 -47.291 6.429 -7.383 67 HD22 LEU 7 1HD2 LEU 7 -45.865 6.415 -8.421 68 HD23 LEU 7 2HD2 LEU 7 -45.758 5.810 -6.766 69 H ILE 8 H ILE 8 -43.912 3.416 -11.877 70 HA ILE 8 HA ILE 8 -42.029 1.468 -10.846 71 HB ILE 8 HB ILE 8 -43.474 0.809 -12.673 72 HG12 ILE 8 2HG1 ILE 8 -41.773 -0.042 -14.289 73 HG13 ILE 8 3HG1 ILE 8 -40.575 1.018 -13.552 74 HG21 ILE 8 1HG2 ILE 8 -43.811 2.969 -13.732 75 HG22 ILE 8 2HG2 ILE 8 -43.279 1.774 -14.914 76 HG23 ILE 8 3HG2 ILE 8 -42.140 2.972 -14.297 77 HD11 ILE 8 3HD1 ILE 8 -40.832 -0.180 -11.437 78 HD12 ILE 8 1HD1 ILE 8 -40.345 -1.253 -12.751 79 HD13 ILE 8 2HD1 ILE 8 -42.019 -1.244 -12.191 80 H ARG 9 H ARG 9 -39.915 1.776 -10.573 81 HA ARG 9 HA ARG 9 -38.562 3.890 -12.131 82 HB2 ARG 9 2HB ARG 9 -36.773 3.667 -10.245 83 HB3 ARG 9 3HB ARG 9 -38.235 4.593 -9.951 84 HG2 ARG 9 2HG ARG 9 -38.093 1.706 -9.154 85 HG3 ARG 9 3HG ARG 9 -37.375 2.959 -8.138 86 HD2 ARG 9 2HD ARG 9 -39.539 4.108 -8.026 87 HD3 ARG 9 3HD ARG 9 -40.259 2.862 -9.044 88 HE ARG 9 HE ARG 9 -39.468 1.341 -7.091 89 HH11 ARG 9 1HH1 ARG 9 -40.672 4.552 -6.763 90 HH12 ARG 9 2HH1 ARG 9 -41.418 4.233 -5.238 91 HH21 ARG 9 1HH2 ARG 9 -40.431 0.952 -5.135 92 HH22 ARG 9 2HH2 ARG 9 -41.301 2.215 -4.337 93 H THR 10 H THR 10 -36.067 3.400 -12.279 94 HA THR 10 HA THR 10 -35.985 0.958 -13.871 95 HB THR 10 HB THR 10 -33.884 1.839 -14.800 96 HG1 THR 10 HG1 THR 10 -33.783 4.303 -13.947 97 HG21 THR 10 3HG2 THR 10 -34.813 3.826 -15.905 98 HG22 THR 10 1HG2 THR 10 -36.100 3.898 -14.696 99 HG23 THR 10 2HG2 THR 10 -36.006 2.528 -15.808 100 H ARG 11 H ARG 11 -33.350 2.419 -11.961 101 HA ARG 11 HA ARG 11 -31.842 1.573 -10.499 102 HB2 ARG 11 2HB ARG 11 -33.908 0.760 -9.323 103 HB3 ARG 11 3HB ARG 11 -33.726 -0.774 -10.155 104 HG2 ARG 11 2HG ARG 11 -31.494 0.306 -8.468 105 HG3 ARG 11 3HG ARG 11 -32.865 -0.508 -7.720 106 HD2 ARG 11 2HD ARG 11 -32.423 -2.508 -9.056 107 HD3 ARG 11 3HD ARG 11 -31.073 -1.694 -9.848 108 HE ARG 11 HE ARG 11 -30.496 -1.537 -7.185 109 HH11 ARG 11 1HH1 ARG 11 -31.184 -4.140 -9.338 110 HH12 ARG 11 2HH1 ARG 11 -30.160 -5.244 -8.494 111 HH21 ARG 11 1HH2 ARG 11 -29.239 -2.969 -6.088 112 HH22 ARG 11 2HH2 ARG 11 -29.096 -4.601 -6.646 113 H GLY 12 H GLY 12 -29.915 0.759 -11.019 114 HA2 GLY 12 2HA GLY 12 -29.298 -1.824 -11.798 115 HA3 GLY 12 3HA GLY 12 -29.566 -0.944 -13.296 116 H GLY 13 H GLY 13 -27.107 -1.994 -12.994 117 HA2 GLY 13 2HA GLY 13 -25.327 0.014 -13.463 118 HA3 GLY 13 3HA GLY 13 -25.297 -0.130 -11.713 119 H ASN 14 H ASN 14 -23.306 -0.738 -13.951 120 HA ASN 14 HA ASN 14 -22.760 -3.568 -13.307 121 HB2 ASN 14 2HB ASN 14 -21.820 -1.867 -15.627 122 HB3 ASN 14 3HB ASN 14 -21.250 -3.506 -15.313 123 HD21 ASN 14 1HD2 ASN 14 -23.784 -4.534 -14.419 124 HD22 ASN 14 2HD2 ASN 14 -24.799 -4.633 -15.809 125 H THR 15 H THR 15 -20.371 -4.145 -13.252 126 HA THR 15 HA THR 15 -19.003 -2.172 -11.515 127 HB THR 15 HB THR 15 -18.892 -5.194 -11.264 128 HG1 THR 15 HG1 THR 15 -20.941 -4.002 -10.658 129 HG21 THR 15 3HG2 THR 15 -17.821 -2.994 -9.480 130 HG22 THR 15 1HG2 THR 15 -16.864 -4.119 -10.445 131 HG23 THR 15 2HG2 THR 15 -17.821 -4.714 -9.088 132 H LYS 16 H LYS 16 -16.975 -1.608 -12.042 133 HA LYS 16 HA LYS 16 -15.574 -3.004 -14.179 134 HB2 LYS 16 2HB LYS 16 -15.139 -0.411 -12.724 135 HB3 LYS 16 3HB LYS 16 -13.821 -1.127 -13.643 136 HG2 LYS 16 2HG LYS 16 -16.534 -0.489 -14.797 137 HG3 LYS 16 3HG LYS 16 -15.129 0.577 -14.898 138 HD2 LYS 16 2HD LYS 16 -13.895 -1.120 -16.137 139 HD3 LYS 16 3HD LYS 16 -15.235 -2.253 -15.966 140 HE2 LYS 16 2HE LYS 16 -15.357 0.381 -17.439 141 HE3 LYS 16 3HE LYS 16 -15.160 -1.197 -18.196 142 HZ1 LYS 16 3HZ LYS 16 -17.436 -0.634 -18.333 143 HZ2 LYS 16 1HZ LYS 16 -17.515 -0.190 -16.705 144 HZ3 LYS 16 2HZ LYS 16 -17.326 -1.813 -17.126 145 H VAL 17 H VAL 17 -13.559 -3.998 -13.988 146 HA VAL 17 HA VAL 17 -13.134 -5.380 -11.530 147 HB VAL 17 HB VAL 17 -12.757 -6.483 -13.670 148 HG11 VAL 17 1HG1 VAL 17 -10.426 -4.592 -14.022 149 HG12 VAL 17 2HG1 VAL 17 -11.922 -4.582 -14.957 150 HG13 VAL 17 3HG1 VAL 17 -10.819 -5.951 -15.073 151 HG21 VAL 17 3HG2 VAL 17 -11.576 -7.335 -11.708 152 HG22 VAL 17 1HG2 VAL 17 -10.219 -6.256 -12.042 153 HG23 VAL 17 2HG2 VAL 17 -10.609 -7.558 -13.167 154 H ARG 18 H ARG 18 -11.618 -5.175 -10.010 155 HA ARG 18 HA ARG 18 -10.443 -2.705 -9.469 156 HB2 ARG 18 2HB ARG 18 -9.131 -4.099 -7.702 157 HB3 ARG 18 3HB ARG 18 -10.877 -3.956 -7.579 158 HG2 ARG 18 2HG ARG 18 -10.253 -6.220 -7.118 159 HG3 ARG 18 3HG ARG 18 -11.104 -6.179 -8.657 160 HD2 ARG 18 2HD ARG 18 -8.886 -6.215 -9.807 161 HD3 ARG 18 3HD ARG 18 -8.122 -6.420 -8.229 162 HE ARG 18 HE ARG 18 -10.111 -8.392 -8.633 163 HH11 ARG 18 1HH1 ARG 18 -6.902 -7.563 -9.599 164 HH12 ARG 18 2HH1 ARG 18 -6.475 -9.200 -9.957 165 HH21 ARG 18 1HH2 ARG 18 -9.551 -10.472 -9.121 166 HH22 ARG 18 2HH2 ARG 18 -7.965 -10.812 -9.721 167 H LEU 19 H LEU 19 -9.270 -4.933 -11.703 168 HA LEU 19 HA LEU 19 -6.796 -3.465 -11.934 169 HB2 LEU 19 2HB LEU 19 -6.413 -5.302 -10.195 170 HB3 LEU 19 3HB LEU 19 -6.572 -6.447 -11.509 171 HG LEU 19 HG LEU 19 -4.503 -4.243 -11.551 172 HD11 LEU 19 1HD1 LEU 19 -4.147 -5.575 -9.534 173 HD12 LEU 19 2HD1 LEU 19 -2.877 -5.867 -10.722 174 HD13 LEU 19 3HD1 LEU 19 -4.164 -7.054 -10.496 175 HD21 LEU 19 3HD2 LEU 19 -3.354 -5.764 -13.121 176 HD22 LEU 19 1HD2 LEU 19 -4.940 -5.267 -13.706 177 HD23 LEU 19 2HD2 LEU 19 -4.721 -6.876 -13.021 178 H ALA 20 H ALA 20 -6.789 -3.012 -14.018 179 HA ALA 20 HA ALA 20 -6.802 -5.182 -15.967 180 HB1 ALA 20 3HB ALA 20 -8.422 -4.100 -17.433 181 HB2 ALA 20 1HB ALA 20 -8.673 -2.829 -16.237 182 HB3 ALA 20 2HB ALA 20 -9.150 -4.487 -15.875 183 H SER 21 H SER 21 -4.771 -4.850 -16.678 184 HA SER 21 HA SER 21 -3.078 -3.995 -17.931 185 HB2 SER 21 2HB SER 21 -4.889 -1.618 -18.433 186 HB3 SER 21 3HB SER 21 -3.377 -1.953 -19.276 187 HG SER 21 HG SER 21 -4.298 -3.793 -20.159 188 H ASP 22 H ASP 22 -4.579 -1.545 -15.842 189 HA ASP 22 HA ASP 22 -1.889 -0.581 -15.104 190 HB2 ASP 22 2HB ASP 22 -3.336 1.118 -16.125 191 HB3 ASP 22 3HB ASP 22 -4.572 0.817 -14.909 192 H THR 23 H THR 23 -1.424 -0.186 -12.869 193 HA THR 23 HA THR 23 -3.158 -1.696 -10.999 194 HB THR 23 HB THR 23 -0.124 -1.700 -11.022 195 HG1 THR 23 HG1 THR 23 -0.356 -3.871 -11.644 196 HG21 THR 23 3HG2 THR 23 -2.072 -3.180 -9.241 197 HG22 THR 23 1HG2 THR 23 -1.018 -1.854 -8.750 198 HG23 THR 23 2HG2 THR 23 -0.322 -3.394 -9.252 199 H ARG 24 H ARG 24 -3.950 -0.344 -9.504 200 HA ARG 24 HA ARG 24 -2.200 1.773 -8.409 201 HB2 ARG 24 2HB ARG 24 -5.169 1.955 -8.966 202 HB3 ARG 24 3HB ARG 24 -4.223 3.185 -8.137 203 HG2 ARG 24 2HG ARG 24 -2.901 3.543 -10.161 204 HG3 ARG 24 3HG ARG 24 -3.826 2.289 -10.992 205 HD2 ARG 24 2HD ARG 24 -5.876 3.595 -10.693 206 HD3 ARG 24 3HD ARG 24 -4.961 4.842 -9.844 207 HE ARG 24 HE ARG 24 -3.737 4.558 -12.290 208 HH11 ARG 24 1HH1 ARG 24 -6.908 5.351 -11.190 209 HH12 ARG 24 2HH1 ARG 24 -7.238 6.367 -12.549 210 HH21 ARG 24 1HH2 ARG 24 -4.159 5.891 -13.999 211 HH22 ARG 24 2HH2 ARG 24 -5.685 6.696 -14.108 212 H ILE 25 H ILE 25 -2.450 2.276 -6.201 213 HA ILE 25 HA ILE 25 -4.384 0.756 -4.616 214 HB ILE 25 HB ILE 25 -2.398 -0.677 -4.620 215 HG12 ILE 25 2HG1 ILE 25 -2.807 0.731 -1.963 216 HG13 ILE 25 3HG1 ILE 25 -3.786 -0.594 -2.585 217 HG21 ILE 25 1HG2 ILE 25 -0.278 0.060 -3.636 218 HG22 ILE 25 2HG2 ILE 25 -0.926 1.689 -3.451 219 HG23 ILE 25 3HG2 ILE 25 -0.693 1.012 -5.061 220 HD11 ILE 25 3HD1 ILE 25 -2.227 -1.379 -0.915 221 HD12 ILE 25 1HD1 ILE 25 -0.873 -0.733 -1.839 222 HD13 ILE 25 2HD1 ILE 25 -1.831 -2.066 -2.488 223 H ASN 26 H ASN 26 -5.114 1.843 -2.846 224 HA ASN 26 HA ASN 26 -4.325 4.585 -2.438 225 HB2 ASN 26 2HB ASN 26 -6.276 2.842 -0.906 226 HB3 ASN 26 3HB ASN 26 -6.091 4.580 -0.698 227 HD21 ASN 26 1HD2 ASN 26 -8.379 2.906 -1.567 228 HD22 ASN 26 2HD2 ASN 26 -8.876 3.578 -3.079 229 H VAL 27 H VAL 27 -2.380 4.873 -1.460 230 HA VAL 27 HA VAL 27 -1.556 3.102 0.718 231 HB VAL 27 HB VAL 27 -0.011 5.327 -0.632 232 HG11 VAL 27 1HG1 VAL 27 0.849 4.825 1.582 233 HG12 VAL 27 2HG1 VAL 27 1.966 4.239 0.352 234 HG13 VAL 27 3HG1 VAL 27 0.911 3.106 1.196 235 HG21 VAL 27 3HG2 VAL 27 -0.598 3.573 -2.225 236 HG22 VAL 27 1HG2 VAL 27 0.066 2.350 -1.141 237 HG23 VAL 27 2HG2 VAL 27 1.130 3.551 -1.874 238 H VAL 28 H VAL 28 -2.165 3.652 2.716 239 HA VAL 28 HA VAL 28 -2.540 6.459 3.464 240 HB VAL 28 HB VAL 28 -3.062 3.992 5.147 241 HG11 VAL 28 1HG1 VAL 28 -2.833 6.020 6.461 242 HG12 VAL 28 2HG1 VAL 28 -4.522 5.507 6.443 243 HG13 VAL 28 3HG1 VAL 28 -3.997 6.852 5.430 244 HG21 VAL 28 3HG2 VAL 28 -5.425 4.224 4.528 245 HG22 VAL 28 1HG2 VAL 28 -4.416 3.887 3.120 246 HG23 VAL 28 2HG2 VAL 28 -5.006 5.525 3.411 247 H ASP 29 H ASP 29 -0.869 7.533 4.339 248 HA ASP 29 HA ASP 29 1.463 6.176 5.324 249 HB2 ASP 29 2HB ASP 29 1.564 8.331 4.105 250 HB3 ASP 29 3HB ASP 29 0.757 9.119 5.457 251 HA PRO 30 HA PRO 30 -0.099 5.796 9.479 252 HB2 PRO 30 2HB PRO 30 2.075 4.726 10.657 253 HB3 PRO 30 3HB PRO 30 1.102 3.824 9.489 254 HG2 PRO 30 2HG PRO 30 3.699 5.262 9.080 255 HG3 PRO 30 3HG PRO 30 3.197 3.667 8.482 256 HD2 PRO 30 2HD PRO 30 3.129 5.946 6.959 257 HD3 PRO 30 3HD PRO 30 2.050 4.560 6.701 258 H GLU 31 H GLU 31 2.698 7.738 8.713 259 HA GLU 31 HA GLU 31 3.006 8.725 11.438 260 HB2 GLU 31 2HB GLU 31 4.479 9.586 8.943 261 HB3 GLU 31 3HB GLU 31 4.961 9.873 10.610 262 HG2 GLU 31 2HG GLU 31 5.270 7.465 10.936 263 HG3 GLU 31 3HG GLU 31 4.796 7.178 9.262 264 H THR 32 H THR 32 1.810 9.860 8.333 265 HA THR 32 HA THR 32 1.137 12.491 9.496 266 HB THR 32 HB THR 32 0.859 13.272 7.163 267 HG1 THR 32 HG1 THR 32 2.053 10.873 6.256 268 HG21 THR 32 3HG2 THR 32 3.230 13.223 6.518 269 HG22 THR 32 1HG2 THR 32 3.521 11.927 7.680 270 HG23 THR 32 2HG2 THR 32 3.046 13.530 8.245 271 H GLY 33 H GLY 33 -0.225 9.663 7.906 272 HA2 GLY 33 2HA GLY 33 -2.430 8.900 8.156 273 HA3 GLY 33 3HA GLY 33 -2.896 10.480 8.758 274 H LYS 34 H LYS 34 -1.091 10.706 5.885 275 HA LYS 34 HA LYS 34 -3.417 11.620 4.445 276 HB2 LYS 34 2HB LYS 34 -1.855 12.267 2.685 277 HB3 LYS 34 3HB LYS 34 -1.283 12.813 4.254 278 HG2 LYS 34 2HG LYS 34 0.287 10.913 4.323 279 HG3 LYS 34 3HG LYS 34 -0.264 10.421 2.719 280 HD2 LYS 34 2HD LYS 34 0.519 12.531 1.778 281 HD3 LYS 34 3HD LYS 34 0.995 13.092 3.380 282 HE2 LYS 34 2HE LYS 34 2.956 12.345 2.215 283 HE3 LYS 34 3HE LYS 34 2.604 11.198 3.506 284 HZ1 LYS 34 3HZ LYS 34 1.570 9.749 1.845 285 HZ2 LYS 34 1HZ LYS 34 3.196 10.047 1.496 286 HZ3 LYS 34 2HZ LYS 34 1.984 10.839 0.621 287 H VAL 35 H VAL 35 -4.481 10.669 2.785 288 HA VAL 35 HA VAL 35 -3.770 7.905 2.081 289 HB VAL 35 HB VAL 35 -6.288 9.459 1.414 290 HG11 VAL 35 1HG1 VAL 35 -5.702 6.501 1.180 291 HG12 VAL 35 2HG1 VAL 35 -5.827 7.636 -0.164 292 HG13 VAL 35 3HG1 VAL 35 -7.240 7.286 0.828 293 HG21 VAL 35 3HG2 VAL 35 -7.365 8.106 3.171 294 HG22 VAL 35 1HG2 VAL 35 -6.094 9.145 3.819 295 HG23 VAL 35 2HG2 VAL 35 -5.795 7.422 3.594 296 H GLU 36 H GLU 36 -2.394 7.779 0.406 297 HA GLU 36 HA GLU 36 -2.787 9.560 -1.916 298 HB2 GLU 36 2HB GLU 36 -0.941 10.385 -0.541 299 HB3 GLU 36 3HB GLU 36 -0.165 8.811 -0.600 300 HG2 GLU 36 2HG GLU 36 0.338 9.045 -2.908 301 HG3 GLU 36 3HG GLU 36 -0.702 10.461 -3.061 302 H ILE 37 H ILE 37 -2.698 8.612 -3.881 303 HA ILE 37 HA ILE 37 -2.724 5.724 -3.976 304 HB ILE 37 HB ILE 37 -3.056 7.715 -6.237 305 HG12 ILE 37 2HG1 ILE 37 -5.163 6.323 -4.554 306 HG13 ILE 37 3HG1 ILE 37 -4.724 8.024 -4.425 307 HG21 ILE 37 1HG2 ILE 37 -4.160 5.860 -7.411 308 HG22 ILE 37 2HG2 ILE 37 -3.792 4.790 -6.062 309 HG23 ILE 37 3HG2 ILE 37 -2.484 5.473 -7.024 310 HD11 ILE 37 3HD1 ILE 37 -6.776 7.743 -5.681 311 HD12 ILE 37 1HD1 ILE 37 -5.951 6.690 -6.831 312 HD13 ILE 37 2HD1 ILE 37 -5.501 8.392 -6.711 313 H ALA 38 H ALA 38 -1.282 4.365 -4.944 314 HA ALA 38 HA ALA 38 0.952 5.434 -6.519 315 HB1 ALA 38 3HB ALA 38 1.332 3.610 -4.136 316 HB2 ALA 38 1HB ALA 38 1.792 5.310 -4.221 317 HB3 ALA 38 2HB ALA 38 2.595 4.127 -5.252 318 H GLU 39 H GLU 39 2.201 3.612 -7.609 319 HA GLU 39 HA GLU 39 0.333 1.491 -8.431 320 HB2 GLU 39 2HB GLU 39 3.013 2.105 -9.687 321 HB3 GLU 39 3HB GLU 39 1.702 1.155 -10.367 322 HG2 GLU 39 2HG GLU 39 1.494 3.107 -11.546 323 HG3 GLU 39 3HG GLU 39 0.375 3.404 -10.217 324 H ILE 40 H ILE 40 0.769 -0.685 -8.190 325 HA ILE 40 HA ILE 40 2.839 -1.397 -6.270 326 HB ILE 40 HB ILE 40 0.703 -3.113 -7.557 327 HG12 ILE 40 2HG1 ILE 40 0.869 -1.856 -4.799 328 HG13 ILE 40 3HG1 ILE 40 -0.220 -1.365 -6.092 329 HG21 ILE 40 1HG2 ILE 40 2.575 -3.739 -5.267 330 HG22 ILE 40 2HG2 ILE 40 2.619 -4.464 -6.875 331 HG23 ILE 40 3HG2 ILE 40 1.244 -4.761 -5.809 332 HD11 ILE 40 3HD1 ILE 40 -1.338 -3.534 -5.966 333 HD12 ILE 40 1HD1 ILE 40 -1.373 -2.685 -4.420 334 HD13 ILE 40 2HD1 ILE 40 -0.243 -4.017 -4.666 335 H ARG 41 H ARG 41 4.821 -1.863 -6.952 336 HA ARG 41 HA ARG 41 5.389 -2.793 -9.630 337 HB2 ARG 41 2HB ARG 41 7.329 -2.623 -7.311 338 HB3 ARG 41 3HB ARG 41 7.710 -2.603 -9.027 339 HG2 ARG 41 2HG ARG 41 6.253 -0.429 -7.526 340 HG3 ARG 41 3HG ARG 41 7.950 -0.394 -7.997 341 HD2 ARG 41 2HD ARG 41 7.271 -0.505 -10.369 342 HD3 ARG 41 3HD ARG 41 5.579 -0.492 -9.866 343 HE ARG 41 HE ARG 41 7.317 1.737 -9.072 344 HH11 ARG 41 1HH1 ARG 41 4.768 0.578 -11.075 345 HH12 ARG 41 2HH1 ARG 41 4.133 2.157 -11.366 346 HH21 ARG 41 1HH2 ARG 41 6.518 3.757 -9.484 347 HH22 ARG 41 2HH2 ARG 41 5.090 3.942 -10.449 348 H ASN 42 H ASN 42 5.881 -4.122 -6.346 349 HA ASN 42 HA ASN 42 5.947 -6.843 -7.509 350 HB2 ASN 42 2HB ASN 42 7.467 -5.758 -5.126 351 HB3 ASN 42 3HB ASN 42 7.398 -7.463 -5.554 352 HD21 ASN 42 1HD2 ASN 42 8.575 -8.202 -7.295 353 HD22 ASN 42 2HD2 ASN 42 9.734 -7.231 -8.126 354 H VAL 43 H VAL 43 4.523 -8.294 -6.758 355 HA VAL 43 HA VAL 43 2.517 -7.449 -4.851 356 HB VAL 43 HB VAL 43 1.873 -8.619 -6.906 357 HG11 VAL 43 1HG1 VAL 43 3.322 -11.007 -5.746 358 HG12 VAL 43 2HG1 VAL 43 3.811 -10.080 -7.164 359 HG13 VAL 43 3HG1 VAL 43 2.317 -11.019 -7.196 360 HG21 VAL 43 3HG2 VAL 43 0.390 -8.768 -4.970 361 HG22 VAL 43 1HG2 VAL 43 1.234 -10.214 -4.416 362 HG23 VAL 43 2HG2 VAL 43 0.321 -10.250 -5.924 363 H VAL 44 H VAL 44 5.357 -9.436 -4.699 364 HA VAL 44 HA VAL 44 4.411 -10.880 -2.330 365 HB VAL 44 HB VAL 44 5.483 -12.190 -4.124 366 HG11 VAL 44 1HG1 VAL 44 7.890 -12.012 -4.536 367 HG12 VAL 44 2HG1 VAL 44 7.984 -10.629 -3.446 368 HG13 VAL 44 3HG1 VAL 44 7.061 -10.511 -4.944 369 HG21 VAL 44 3HG2 VAL 44 5.566 -13.025 -1.830 370 HG22 VAL 44 1HG2 VAL 44 7.070 -12.147 -1.547 371 HG23 VAL 44 2HG2 VAL 44 7.026 -13.472 -2.710 372 H GLU 45 H GLU 45 5.464 -10.826 -0.331 373 HA GLU 45 HA GLU 45 7.131 -8.450 0.143 374 HB2 GLU 45 2HB GLU 45 6.531 -8.658 2.489 375 HB3 GLU 45 3HB GLU 45 5.081 -8.666 1.498 376 HG2 GLU 45 2HG GLU 45 6.306 -11.259 2.346 377 HG3 GLU 45 3HG GLU 45 5.332 -10.335 3.485 378 H ASN 46 H ASN 46 8.315 -9.148 2.546 379 HA ASN 46 HA ASN 46 10.595 -10.618 1.710 380 HB2 ASN 46 2HB ASN 46 11.308 -10.383 4.112 381 HB3 ASN 46 3HB ASN 46 10.908 -8.870 3.309 382 HD21 ASN 46 1HD2 ASN 46 10.958 -9.576 6.145 383 HD22 ASN 46 2HD2 ASN 46 9.388 -9.195 6.750 384 H THR 47 H THR 47 10.549 -12.740 1.369 385 HA THR 47 HA THR 47 8.749 -14.491 2.822 386 HB THR 47 HB THR 47 9.612 -16.272 1.333 387 HG1 THR 47 HG1 THR 47 11.184 -15.811 -0.179 388 HG21 THR 47 3HG2 THR 47 7.732 -14.865 0.591 389 HG22 THR 47 1HG2 THR 47 8.734 -15.373 -0.769 390 HG23 THR 47 2HG2 THR 47 8.872 -13.734 -0.138 391 H ALA 48 H ALA 48 9.315 -16.149 4.223 392 HA ALA 48 HA ALA 48 11.882 -15.828 5.566 393 HB1 ALA 48 3HB ALA 48 10.926 -17.260 7.299 394 HB2 ALA 48 1HB ALA 48 9.512 -17.555 6.286 395 HB3 ALA 48 2HB ALA 48 9.836 -15.934 6.899 396 H ASN 49 H ASN 49 10.605 -17.830 3.160 397 HA ASN 49 HA ASN 49 12.943 -19.575 3.298 398 HB2 ASN 49 2HB ASN 49 11.215 -20.802 4.545 399 HB3 ASN 49 3HB ASN 49 10.113 -20.661 3.178 400 HD21 ASN 49 1HD2 ASN 49 9.920 -22.879 2.954 401 HD22 ASN 49 2HD2 ASN 49 11.197 -23.862 2.336 402 HA PRO 50 HA PRO 50 12.238 -18.366 -1.070 403 HB2 PRO 50 2HB PRO 50 15.130 -18.798 -1.315 404 HB3 PRO 50 3HB PRO 50 14.198 -17.324 -1.588 405 HG2 PRO 50 2HG PRO 50 15.878 -17.601 0.513 406 HG3 PRO 50 3HG PRO 50 14.390 -16.638 0.605 407 HD2 PRO 50 2HD PRO 50 14.898 -19.434 1.589 408 HD3 PRO 50 3HD PRO 50 14.044 -18.096 2.391 409 H HIS 51 H HIS 51 12.705 -19.484 -3.108 410 HA HIS 51 HA HIS 51 12.986 -21.252 -4.505 411 HB2 HIS 51 2HB HIS 51 14.420 -22.529 -2.167 412 HB3 HIS 51 3HB HIS 51 14.314 -23.242 -3.771 413 HD1 HIS 51 HD1 HIS 51 16.068 -22.570 -5.410 414 HD2 HIS 51 HD2 HIS 51 15.934 -20.028 -2.128 415 HE1 HIS 51 HE1 HIS 51 18.033 -21.037 -5.669 416 HE2 HIS 51 HE2 HIS 51 18.057 -19.666 -3.567 417 H PHE 52 H PHE 52 11.215 -21.499 -1.616 418 HA PHE 52 HA PHE 52 9.787 -23.869 -2.636 419 HB2 PHE 52 2HB PHE 52 11.255 -24.526 -0.759 420 HB3 PHE 52 3HB PHE 52 10.467 -23.336 0.270 421 HD1 PHE 52 HD2 PHE 52 9.691 -26.326 -1.831 422 HD2 PHE 52 HD1 PHE 52 8.666 -23.999 1.593 423 HE1 PHE 52 HE2 PHE 52 8.014 -28.012 -1.185 424 HE2 PHE 52 HE1 PHE 52 6.995 -25.681 2.239 425 HZ PHE 52 HZ PHE 52 6.663 -27.688 0.850 426 H VAL 53 H VAL 53 7.901 -23.089 -3.292 427 HA VAL 53 HA VAL 53 5.786 -22.287 -3.251 428 HB VAL 53 HB VAL 53 6.212 -21.949 -0.274 429 HG11 VAL 53 1HG1 VAL 53 4.378 -20.542 -1.063 430 HG12 VAL 53 2HG1 VAL 53 3.764 -21.893 -0.110 431 HG13 VAL 53 3HG1 VAL 53 3.642 -21.929 -1.869 432 HG21 VAL 53 3HG2 VAL 53 4.981 -24.060 -0.074 433 HG22 VAL 53 1HG2 VAL 53 6.459 -24.267 -1.010 434 HG23 VAL 53 2HG2 VAL 53 4.899 -24.188 -1.830 435 H ARG 54 H ARG 54 4.858 -20.388 -3.786 436 HA ARG 54 HA ARG 54 5.745 -17.879 -2.617 437 HB2 ARG 54 2HB ARG 54 6.320 -16.831 -4.752 438 HB3 ARG 54 3HB ARG 54 7.381 -18.188 -4.418 439 HG2 ARG 54 2HG ARG 54 4.993 -18.368 -6.248 440 HG3 ARG 54 3HG ARG 54 6.621 -17.968 -6.798 441 HD2 ARG 54 2HD ARG 54 7.437 -20.114 -5.947 442 HD3 ARG 54 3HD ARG 54 5.814 -20.515 -5.383 443 HE ARG 54 HE ARG 54 5.721 -19.929 -8.129 444 HH11 ARG 54 1HH1 ARG 54 6.877 -22.373 -5.988 445 HH12 ARG 54 2HH1 ARG 54 6.759 -23.617 -7.179 446 HH21 ARG 54 1HH2 ARG 54 5.541 -21.531 -9.620 447 HH22 ARG 54 2HH2 ARG 54 6.006 -23.146 -9.219 448 H ARG 55 H ARG 55 4.297 -16.116 -3.059 449 HA ARG 55 HA ARG 55 1.659 -17.038 -4.025 450 HB2 ARG 55 2HB ARG 55 2.005 -16.490 -1.531 451 HB3 ARG 55 3HB ARG 55 2.071 -14.807 -2.039 452 HG2 ARG 55 2HG ARG 55 -0.170 -14.908 -2.894 453 HG3 ARG 55 3HG ARG 55 -0.241 -16.652 -2.626 454 HD2 ARG 55 2HD ARG 55 0.161 -16.126 -0.161 455 HD3 ARG 55 3HD ARG 55 -0.190 -14.448 -0.576 456 HE ARG 55 HE ARG 55 -2.309 -15.844 -1.571 457 HH11 ARG 55 1HH1 ARG 55 -0.829 -15.635 1.531 458 HH12 ARG 55 2HH1 ARG 55 -2.308 -15.931 2.376 459 HH21 ARG 55 1HH2 ARG 55 -4.189 -16.251 -0.480 460 HH22 ARG 55 2HH2 ARG 55 -4.189 -16.271 1.250 461 H ASN 56 H ASN 56 0.511 -15.777 -5.458 462 HA ASN 56 HA ASN 56 1.958 -13.435 -6.553 463 HB2 ASN 56 2HB ASN 56 0.936 -14.074 -8.756 464 HB3 ASN 56 3HB ASN 56 2.083 -15.247 -8.118 465 HD21 ASN 56 1HD2 ASN 56 1.169 -16.909 -9.363 466 HD22 ASN 56 2HD2 ASN 56 -0.359 -17.604 -8.967 467 H ILE 57 H ILE 57 -0.621 -13.975 -4.718 468 HA ILE 57 HA ILE 57 -2.381 -12.075 -6.140 469 HB ILE 57 HB ILE 57 -3.450 -14.245 -5.838 470 HG12 ILE 57 2HG1 ILE 57 -4.604 -12.124 -3.995 471 HG13 ILE 57 3HG1 ILE 57 -4.882 -12.251 -5.729 472 HG21 ILE 57 1HG2 ILE 57 -3.927 -15.163 -3.624 473 HG22 ILE 57 2HG2 ILE 57 -3.025 -13.845 -2.873 474 HG23 ILE 57 3HG2 ILE 57 -2.190 -15.019 -3.893 475 HD11 ILE 57 3HD1 ILE 57 -6.036 -14.378 -5.383 476 HD12 ILE 57 1HD1 ILE 57 -6.783 -13.070 -4.466 477 HD13 ILE 57 2HD1 ILE 57 -5.754 -14.245 -3.647 478 H ILE 58 H ILE 58 -3.169 -10.289 -5.100 479 HA ILE 58 HA ILE 58 -1.814 -9.379 -2.719 480 HB ILE 58 HB ILE 58 -4.045 -8.065 -4.299 481 HG12 ILE 58 2HG1 ILE 58 -1.045 -7.629 -4.448 482 HG13 ILE 58 3HG1 ILE 58 -2.008 -8.490 -5.645 483 HG21 ILE 58 1HG2 ILE 58 -2.150 -6.906 -2.250 484 HG22 ILE 58 2HG2 ILE 58 -3.881 -7.171 -2.044 485 HG23 ILE 58 3HG2 ILE 58 -3.306 -5.985 -3.214 486 HD11 ILE 58 3HD1 ILE 58 -1.514 -6.247 -6.390 487 HD12 ILE 58 1HD1 ILE 58 -2.255 -5.574 -4.939 488 HD13 ILE 58 2HD1 ILE 58 -3.244 -6.433 -6.118 489 H THR 59 H THR 59 -2.575 -9.476 -0.650 490 HA THR 59 HA THR 59 -5.452 -9.612 -0.154 491 HB THR 59 HB THR 59 -4.817 -11.981 -0.257 492 HG1 THR 59 HG1 THR 59 -5.216 -12.184 2.308 493 HG21 THR 59 3HG2 THR 59 -2.441 -11.747 0.363 494 HG22 THR 59 1HG2 THR 59 -3.260 -12.945 1.366 495 HG23 THR 59 2HG2 THR 59 -2.917 -11.341 2.012 496 H ARG 60 H ARG 60 -5.932 -9.467 2.236 497 HA ARG 60 HA ARG 60 -4.625 -7.196 3.310 498 HB2 ARG 60 2HB ARG 60 -6.984 -7.686 3.767 499 HB3 ARG 60 3HB ARG 60 -6.525 -9.130 4.662 500 HG2 ARG 60 2HG ARG 60 -5.375 -7.738 6.321 501 HG3 ARG 60 3HG ARG 60 -5.827 -6.292 5.417 502 HD2 ARG 60 2HD ARG 60 -7.343 -6.617 7.285 503 HD3 ARG 60 3HD ARG 60 -8.200 -6.833 5.758 504 HE ARG 60 HE ARG 60 -7.248 -9.122 7.352 505 HH11 ARG 60 1HH1 ARG 60 -9.712 -7.530 5.551 506 HH12 ARG 60 2HH1 ARG 60 -10.870 -8.785 5.817 507 HH21 ARG 60 1HH2 ARG 60 -8.733 -10.735 7.664 508 HH22 ARG 60 2HH2 ARG 60 -10.314 -10.597 6.980 509 H GLY 61 H GLY 61 -3.045 -6.966 4.809 510 HA2 GLY 61 2HA GLY 61 -1.670 -7.669 6.623 511 HA3 GLY 61 3HA GLY 61 -2.013 -9.342 6.210 512 H ALA 62 H ALA 62 -1.510 -8.722 3.309 513 HA ALA 62 HA ALA 62 1.257 -9.427 3.265 514 HB1 ALA 62 3HB ALA 62 1.001 -9.427 0.834 515 HB2 ALA 62 1HB ALA 62 -0.573 -8.644 0.993 516 HB3 ALA 62 2HB ALA 62 -0.333 -10.279 1.613 517 H VAL 63 H VAL 63 2.964 -8.276 2.128 518 HA VAL 63 HA VAL 63 2.632 -5.333 2.205 519 HB VAL 63 HB VAL 63 5.179 -6.871 2.779 520 HG11 VAL 63 1HG1 VAL 63 5.612 -4.694 1.783 521 HG12 VAL 63 2HG1 VAL 63 6.063 -4.686 3.487 522 HG13 VAL 63 3HG1 VAL 63 4.561 -3.917 2.970 523 HG21 VAL 63 3HG2 VAL 63 3.538 -7.164 4.576 524 HG22 VAL 63 1HG2 VAL 63 3.348 -5.414 4.699 525 HG23 VAL 63 2HG2 VAL 63 4.891 -6.166 5.107 526 H VAL 64 H VAL 64 2.656 -4.502 0.208 527 HA VAL 64 HA VAL 64 4.152 -5.886 -1.919 528 HB VAL 64 HB VAL 64 2.759 -4.622 -3.507 529 HG11 VAL 64 1HG1 VAL 64 1.975 -6.806 -2.784 530 HG12 VAL 64 2HG1 VAL 64 0.606 -5.719 -3.023 531 HG13 VAL 64 3HG1 VAL 64 1.168 -6.080 -1.392 532 HG21 VAL 64 3HG2 VAL 64 2.385 -2.598 -2.188 533 HG22 VAL 64 1HG2 VAL 64 1.394 -3.508 -1.045 534 HG23 VAL 64 2HG2 VAL 64 0.849 -3.291 -2.709 535 H GLU 65 H GLU 65 5.422 -4.668 -3.447 536 HA GLU 65 HA GLU 65 6.665 -2.291 -2.269 537 HB2 GLU 65 2HB GLU 65 8.158 -4.066 -3.070 538 HB3 GLU 65 3HB GLU 65 7.474 -3.931 -4.686 539 HG2 GLU 65 2HG GLU 65 8.366 -1.710 -4.941 540 HG3 GLU 65 3HG GLU 65 8.920 -1.698 -3.268 541 H THR 66 H THR 66 6.272 -0.279 -2.963 542 HA THR 66 HA THR 66 5.020 0.142 -5.609 543 HB THR 66 HB THR 66 3.579 1.875 -4.715 544 HG1 THR 66 HG1 THR 66 4.507 1.259 -2.093 545 HG21 THR 66 3HG2 THR 66 3.376 -0.596 -2.981 546 HG22 THR 66 1HG2 THR 66 2.693 -0.415 -4.599 547 HG23 THR 66 2HG2 THR 66 2.088 0.574 -3.269 548 H ASN 67 H ASN 67 5.075 2.646 -6.097 549 HA ASN 67 HA ASN 67 7.785 3.458 -6.206 550 HB2 ASN 67 2HB ASN 67 6.855 5.606 -7.100 551 HB3 ASN 67 3HB ASN 67 6.257 4.168 -7.924 552 HD21 ASN 67 1HD2 ASN 67 5.450 6.822 -5.862 553 HD22 ASN 67 2HD2 ASN 67 3.739 6.596 -5.916 554 H LEU 68 H LEU 68 5.252 4.124 -3.883 555 HA LEU 68 HA LEU 68 6.712 6.246 -2.556 556 HB2 LEU 68 2HB LEU 68 4.266 4.678 -1.707 557 HB3 LEU 68 3HB LEU 68 4.927 6.039 -0.821 558 HG LEU 68 HG LEU 68 3.773 6.153 -3.616 559 HD11 LEU 68 1HD1 LEU 68 1.959 7.433 -2.590 560 HD12 LEU 68 2HD1 LEU 68 2.678 7.192 -0.998 561 HD13 LEU 68 3HD1 LEU 68 2.061 5.810 -1.905 562 HD21 LEU 68 3HD2 LEU 68 4.013 8.577 -3.403 563 HD22 LEU 68 1HD2 LEU 68 5.578 7.773 -3.305 564 HD23 LEU 68 2HD2 LEU 68 4.801 8.371 -1.839 565 H GLY 69 H GLY 69 6.605 2.809 -2.430 566 HA2 GLY 69 2HA GLY 69 8.697 1.991 -1.154 567 HA3 GLY 69 3HA GLY 69 7.898 2.738 0.222 568 H ASN 70 H ASN 70 7.778 0.729 1.320 569 HA ASN 70 HA ASN 70 6.287 -1.456 0.105 570 HB2 ASN 70 2HB ASN 70 7.469 -1.181 2.880 571 HB3 ASN 70 3HB ASN 70 6.768 -2.651 2.210 572 HD21 ASN 70 1HD2 ASN 70 7.852 -2.259 -0.447 573 HD22 ASN 70 2HD2 ASN 70 9.551 -2.546 -0.334 574 H VAL 71 H VAL 71 4.183 -1.926 0.463 575 HA VAL 71 HA VAL 71 2.712 -0.265 2.413 576 HB VAL 71 HB VAL 71 1.743 -1.136 -0.321 577 HG11 VAL 71 1HG1 VAL 71 -0.076 -0.997 1.316 578 HG12 VAL 71 2HG1 VAL 71 -0.196 0.288 0.115 579 HG13 VAL 71 3HG1 VAL 71 0.416 0.646 1.729 580 HG21 VAL 71 3HG2 VAL 71 3.433 0.597 -0.518 581 HG22 VAL 71 1HG2 VAL 71 2.593 1.589 0.676 582 HG23 VAL 71 2HG2 VAL 71 1.843 1.264 -0.888 583 H ARG 72 H ARG 72 1.693 -1.428 3.935 584 HA ARG 72 HA ARG 72 1.223 -4.277 3.566 585 HB2 ARG 72 2HB ARG 72 2.114 -3.360 5.712 586 HB3 ARG 72 3HB ARG 72 0.583 -2.532 5.959 587 HG2 ARG 72 2HG ARG 72 -0.579 -4.686 6.021 588 HG3 ARG 72 3HG ARG 72 0.953 -5.522 5.765 589 HD2 ARG 72 2HD ARG 72 0.292 -3.753 8.122 590 HD3 ARG 72 3HD ARG 72 0.270 -5.517 8.132 591 HE ARG 72 HE ARG 72 2.771 -5.075 7.383 592 HH11 ARG 72 1HH1 ARG 72 0.935 -3.558 9.878 593 HH12 ARG 72 2HH1 ARG 72 2.334 -3.237 10.846 594 HH21 ARG 72 1HH2 ARG 72 4.544 -4.673 8.670 595 HH22 ARG 72 2HH2 ARG 72 4.326 -3.850 10.178 596 H VAL 73 H VAL 73 -0.577 -4.947 2.599 597 HA VAL 73 HA VAL 73 -2.695 -3.231 1.879 598 HB VAL 73 HB VAL 73 -2.671 -6.257 1.823 599 HG11 VAL 73 1HG1 VAL 73 -4.309 -4.269 0.239 600 HG12 VAL 73 2HG1 VAL 73 -4.906 -5.332 1.515 601 HG13 VAL 73 3HG1 VAL 73 -4.305 -6.019 0.004 602 HG21 VAL 73 3HG2 VAL 73 -0.721 -5.347 0.669 603 HG22 VAL 73 1HG2 VAL 73 -1.758 -4.281 -0.277 604 HG23 VAL 73 2HG2 VAL 73 -1.862 -6.028 -0.487 605 H THR 74 H THR 74 -4.502 -2.662 2.898 606 HA THR 74 HA THR 74 -5.325 -4.083 5.351 607 HB THR 74 HB THR 74 -6.685 -2.064 5.833 608 HG1 THR 74 HG1 THR 74 -6.544 -0.282 4.474 609 HG21 THR 74 3HG2 THR 74 -3.775 -1.482 5.233 610 HG22 THR 74 1HG2 THR 74 -4.407 -2.198 6.717 611 HG23 THR 74 2HG2 THR 74 -4.813 -0.534 6.301 612 H SER 75 H SER 75 -6.458 -3.104 2.179 613 HA SER 75 HA SER 75 -9.166 -4.083 2.723 614 HB2 SER 75 2HB SER 75 -8.933 -1.917 1.569 615 HB3 SER 75 3HB SER 75 -8.048 -2.704 0.263 616 HG SER 75 HG SER 75 -10.515 -2.305 0.185 617 H ARG 76 H ARG 76 -10.103 -5.089 0.498 618 HA ARG 76 HA ARG 76 -8.355 -7.365 -0.216 619 HB2 ARG 76 2HB ARG 76 -10.326 -7.864 1.351 620 HB3 ARG 76 3HB ARG 76 -11.375 -7.494 -0.006 621 HG2 ARG 76 2HG ARG 76 -11.185 -9.833 0.023 622 HG3 ARG 76 3HG ARG 76 -10.126 -9.303 -1.285 623 HD2 ARG 76 2HD ARG 76 -8.182 -9.510 0.200 624 HD3 ARG 76 3HD ARG 76 -9.240 -10.025 1.517 625 HE ARG 76 HE ARG 76 -9.138 -11.589 -0.965 626 HH11 ARG 76 1HH1 ARG 76 -8.590 -11.374 2.440 627 HH12 ARG 76 2HH1 ARG 76 -8.246 -13.059 2.593 628 HH21 ARG 76 1HH2 ARG 76 -8.724 -13.756 -0.728 629 HH22 ARG 76 2HH2 ARG 76 -8.324 -14.385 0.836 630 HA PRO 77 HA PRO 77 -8.657 -5.698 -4.363 631 HB2 PRO 77 2HB PRO 77 -8.480 -8.594 -5.099 632 HB3 PRO 77 3HB PRO 77 -7.571 -7.213 -5.728 633 HG2 PRO 77 2HG PRO 77 -6.473 -8.889 -3.986 634 HG3 PRO 77 3HG PRO 77 -6.142 -7.152 -3.907 635 HD2 PRO 77 2HD PRO 77 -7.849 -8.842 -2.142 636 HD3 PRO 77 3HD PRO 77 -6.918 -7.380 -1.753 637 H GLY 78 H GLY 78 -10.761 -4.998 -4.512 638 HA2 GLY 78 2HA GLY 78 -12.516 -5.872 -6.289 639 HA3 GLY 78 3HA GLY 78 -12.906 -6.937 -4.951 640 H GLN 79 H GLN 79 -12.258 -4.824 -2.971 641 HA GLN 79 HA GLN 79 -14.834 -3.832 -2.524 642 HB2 GLN 79 2HB GLN 79 -12.253 -2.644 -1.468 643 HB3 GLN 79 3HB GLN 79 -13.853 -2.489 -0.755 644 HG2 GLN 79 2HG GLN 79 -12.299 -5.058 -1.024 645 HG3 GLN 79 3HG GLN 79 -12.447 -4.097 0.444 646 HE21 GLN 79 1HE2 GLN 79 -13.241 -6.864 -0.156 647 HE22 GLN 79 2HE2 GLN 79 -14.919 -6.956 0.236 648 H ASP 80 H ASP 80 -15.859 -2.536 -3.948 649 HA ASP 80 HA ASP 80 -16.378 -0.794 -5.310 650 HB2 ASP 80 2HB ASP 80 -14.349 0.643 -3.583 651 HB3 ASP 80 3HB ASP 80 -15.484 1.436 -4.673 652 H GLY 81 H GLY 81 -14.007 -2.552 -5.989 653 HA2 GLY 81 2HA GLY 81 -12.692 -2.764 -7.873 654 HA3 GLY 81 3HA GLY 81 -13.272 -1.194 -8.401 655 H VAL 82 H VAL 82 -11.791 -1.323 -5.267 656 HA VAL 82 HA VAL 82 -9.189 -0.499 -6.362 657 HB VAL 82 HB VAL 82 -10.606 1.541 -5.940 658 HG11 VAL 82 1HG1 VAL 82 -10.972 2.271 -3.634 659 HG12 VAL 82 2HG1 VAL 82 -10.316 0.744 -3.041 660 HG13 VAL 82 3HG1 VAL 82 -11.814 0.759 -3.973 661 HG21 VAL 82 3HG2 VAL 82 -8.175 1.696 -5.997 662 HG22 VAL 82 1HG2 VAL 82 -8.090 1.294 -4.282 663 HG23 VAL 82 2HG2 VAL 82 -8.836 2.806 -4.798 664 H ILE 83 H ILE 83 -7.469 -0.403 -4.681 665 HA ILE 83 HA ILE 83 -7.970 -2.245 -2.418 666 HB ILE 83 HB ILE 83 -5.394 -1.967 -3.994 667 HG12 ILE 83 2HG1 ILE 83 -7.421 -4.225 -4.002 668 HG13 ILE 83 3HG1 ILE 83 -7.183 -3.067 -5.305 669 HG21 ILE 83 1HG2 ILE 83 -5.010 -2.570 -1.659 670 HG22 ILE 83 2HG2 ILE 83 -4.645 -3.928 -2.722 671 HG23 ILE 83 3HG2 ILE 83 -6.150 -3.908 -1.804 672 HD11 ILE 83 3HD1 ILE 83 -5.183 -5.103 -4.340 673 HD12 ILE 83 1HD1 ILE 83 -4.897 -3.911 -5.609 674 HD13 ILE 83 2HD1 ILE 83 -6.118 -5.164 -5.832 675 H ASN 84 H ASN 84 -7.061 -1.695 -0.417 676 HA ASN 84 HA ASN 84 -5.685 0.918 -0.255 677 HB2 ASN 84 2HB ASN 84 -7.637 -0.306 1.715 678 HB3 ASN 84 3HB ASN 84 -6.710 1.160 2.015 679 HD21 ASN 84 1HD2 ASN 84 -8.469 2.481 2.211 680 HD22 ASN 84 2HD2 ASN 84 -9.512 2.884 0.892 681 H GLY 85 H GLY 85 -4.076 1.166 1.384 682 HA2 GLY 85 2HA GLY 85 -3.288 -1.068 3.047 683 HA3 GLY 85 3HA GLY 85 -2.183 -0.759 1.717 684 H VAL 86 H VAL 86 -0.981 -0.547 4.041 685 HA VAL 86 HA VAL 86 -0.938 2.337 4.724 686 HB VAL 86 HB VAL 86 0.140 0.158 6.516 687 HG11 VAL 86 1HG1 VAL 86 -0.789 2.977 7.080 688 HG12 VAL 86 2HG1 VAL 86 0.889 2.438 6.966 689 HG13 VAL 86 3HG1 VAL 86 -0.144 1.840 8.269 690 HG21 VAL 86 3HG2 VAL 86 -1.965 0.223 7.775 691 HG22 VAL 86 1HG2 VAL 86 -2.204 -0.368 6.132 692 HG23 VAL 86 2HG2 VAL 86 -2.665 1.282 6.552 693 H LEU 87 H LEU 87 1.017 3.427 4.668 694 HA LEU 87 HA LEU 87 3.155 2.195 3.167 695 HB2 LEU 87 2HB LEU 87 2.453 4.534 2.796 696 HB3 LEU 87 3HB LEU 87 2.999 4.946 4.410 697 HG LEU 87 HG LEU 87 5.318 4.398 3.771 698 HD11 LEU 87 1HD1 LEU 87 4.839 2.696 2.083 699 HD12 LEU 87 2HD1 LEU 87 5.898 3.954 1.448 700 HD13 LEU 87 3HD1 LEU 87 4.190 3.937 1.009 701 HD21 LEU 87 3HD2 LEU 87 5.696 6.292 2.266 702 HD22 LEU 87 1HD2 LEU 87 4.534 6.694 3.531 703 HD23 LEU 87 2HD2 LEU 87 3.972 6.345 1.895 704 H ILE 88 H ILE 88 4.461 0.803 4.226 705 HA ILE 88 HA ILE 88 5.675 1.686 6.775 706 HB ILE 88 HB ILE 88 5.890 -0.616 7.479 707 HG12 ILE 88 2HG1 ILE 88 4.631 -1.313 4.813 708 HG13 ILE 88 3HG1 ILE 88 6.261 -1.696 5.334 709 HG21 ILE 88 1HG2 ILE 88 3.782 0.538 7.997 710 HG22 ILE 88 2HG2 ILE 88 3.554 -1.201 7.824 711 HG23 ILE 88 3HG2 ILE 88 3.067 -0.114 6.522 712 HD11 ILE 88 3HD1 ILE 88 4.828 -3.642 5.441 713 HD12 ILE 88 1HD1 ILE 88 3.732 -2.795 6.535 714 HD13 ILE 88 2HD1 ILE 88 5.375 -3.176 7.050 715 H ARG 89 H ARG 89 7.762 0.202 7.133 716 HA ARG 89 HA ARG 89 9.358 0.306 4.649 717 HB2 ARG 89 2HB ARG 89 10.227 1.013 7.467 718 HB3 ARG 89 3HB ARG 89 11.340 0.813 6.126 719 HG2 ARG 89 2HG ARG 89 11.022 3.129 6.359 720 HG3 ARG 89 3HG ARG 89 10.076 2.661 4.947 721 HD2 ARG 89 2HD ARG 89 8.861 4.247 6.366 722 HD3 ARG 89 3HD ARG 89 8.036 2.694 6.283 723 HE ARG 89 HE ARG 89 9.215 2.278 8.519 724 HH11 ARG 89 1HH1 ARG 89 8.208 5.399 7.457 725 HH12 ARG 89 2HH1 ARG 89 7.914 5.970 9.063 726 HH21 ARG 89 1HH2 ARG 89 8.856 3.010 10.561 727 HH22 ARG 89 2HH2 ARG 89 8.264 4.619 10.809 728 H GLU 90 H GLU 90 9.870 -1.705 4.013 729 HA GLU 90 HA GLU 90 10.549 -3.719 6.073 730 HB2 GLU 90 2HB GLU 90 9.071 -4.106 3.461 731 HB3 GLU 90 3HB GLU 90 9.712 -5.434 4.415 732 HG2 GLU 90 2HG GLU 90 7.674 -3.444 5.393 733 HG3 GLU 90 3HG GLU 90 7.299 -5.044 4.757 734 H LEU 91 H LEU 91 10.857 -3.553 2.516 735 HA LEU 91 HA LEU 91 13.578 -4.637 2.761 736 HB2 LEU 91 2HB LEU 91 11.717 -4.510 0.383 737 HB3 LEU 91 3HB LEU 91 13.314 -5.235 0.374 738 HG LEU 91 HG LEU 91 10.967 -6.194 2.026 739 HD11 LEU 91 1HD1 LEU 91 10.967 -8.130 0.514 740 HD12 LEU 91 2HD1 LEU 91 12.224 -7.362 -0.459 741 HD13 LEU 91 3HD1 LEU 91 10.625 -6.625 -0.343 742 HD21 LEU 91 3HD2 LEU 91 12.386 -8.111 2.563 743 HD22 LEU 91 1HD2 LEU 91 13.121 -6.608 3.120 744 HD23 LEU 91 2HD2 LEU 91 13.717 -7.394 1.657 745 H GLU 92 H GLU 92 14.819 -3.993 0.527 746 HA GLU 92 HA GLU 92 15.591 -1.268 0.890 747 HB2 GLU 92 2HB GLU 92 16.341 -3.163 -1.350 748 HB3 GLU 92 3HB GLU 92 17.210 -1.712 -0.867 749 HG2 GLU 92 2HG GLU 92 17.795 -2.722 1.257 750 HG3 GLU 92 3HG GLU 92 16.839 -4.152 0.869 751 H HIS 93 H HIS 93 15.097 0.542 -0.330 752 HA HIS 93 HA HIS 93 12.886 0.203 -2.262 753 HB2 HIS 93 2HB HIS 93 13.760 2.779 -0.942 754 HB3 HIS 93 3HB HIS 93 12.247 2.461 -1.784 755 HD1 HIS 93 HD1 HIS 93 11.379 -0.137 -0.378 756 HD2 HIS 93 HD2 HIS 93 12.939 3.174 1.590 757 HE1 HIS 93 HE1 HIS 93 10.579 -0.321 1.994 758 HE2 HIS 93 HE2 HIS 93 11.726 1.566 3.203 759 H HIS 94 H HIS 94 16.207 0.966 -2.203 760 HA HIS 94 HA HIS 94 16.368 2.940 -4.198 761 HB2 HIS 94 2HB HIS 94 18.730 2.259 -4.460 762 HB3 HIS 94 3HB HIS 94 18.272 2.461 -2.775 763 HD1 HIS 94 HD1 HIS 94 19.242 0.718 -1.346 764 HD2 HIS 94 HD2 HIS 94 18.458 -0.732 -5.158 765 HE1 HIS 94 HE1 HIS 94 20.045 -1.656 -1.338 766 HE2 HIS 94 HE2 HIS 94 19.397 -2.565 -3.593 767 H HIS 95 H HIS 95 16.990 2.815 -6.413 768 HA HIS 95 HA HIS 95 15.697 0.845 -7.968 769 HB2 HIS 95 2HB HIS 95 17.925 2.751 -8.750 770 HB3 HIS 95 3HB HIS 95 16.948 1.822 -9.883 771 HD1 HIS 95 HD1 HIS 95 14.630 2.717 -10.442 772 HD2 HIS 95 HD2 HIS 95 16.549 4.892 -7.471 773 HE1 HIS 95 HE1 HIS 95 13.207 4.742 -10.070 774 HE2 HIS 95 HE2 HIS 95 14.467 6.119 -8.390 775 H HIS 96 H HIS 96 16.261 -1.215 -8.250 776 HA HIS 96 HA HIS 96 18.422 -2.339 -6.906 777 HB2 HIS 96 2HB HIS 96 16.776 -3.565 -9.132 778 HB3 HIS 96 3HB HIS 96 17.809 -4.458 -8.019 779 HD1 HIS 96 HD1 HIS 96 17.010 -4.524 -5.478 780 HD2 HIS 96 HD2 HIS 96 14.262 -2.932 -8.163 781 HE1 HIS 96 HE1 HIS 96 14.815 -4.492 -4.264 782 HE2 HIS 96 HE2 HIS 96 13.150 -3.659 -5.946 783 H HIS 97 H HIS 97 18.094 -2.694 -10.462 784 HA HIS 97 HA HIS 97 20.991 -2.939 -10.621 785 HB2 HIS 97 2HB HIS 97 20.608 -3.493 -13.014 786 HB3 HIS 97 3HB HIS 97 19.712 -4.531 -11.910 787 HD1 HIS 97 HD1 HIS 97 19.255 -1.892 -14.516 788 HD2 HIS 97 HD2 HIS 97 16.915 -4.322 -12.091 789 HE1 HIS 97 HE1 HIS 97 16.921 -1.697 -15.417 790 HE2 HIS 97 HE2 HIS 97 15.505 -3.050 -13.842 791 H HIS 98 H HIS 98 22.087 -1.077 -10.538 792 HA HIS 98 HA HIS 98 21.371 1.047 -12.451 793 HB2 HIS 98 2HB HIS 98 22.044 2.743 -10.697 794 HB3 HIS 98 3HB HIS 98 20.540 1.886 -10.384 795 HD1 HIS 98 HD1 HIS 98 20.708 -0.080 -8.540 796 HD2 HIS 98 HD2 HIS 98 23.889 2.592 -8.665 797 HE1 HIS 98 HE1 HIS 98 21.921 -0.378 -6.371 798 HE2 HIS 98 HE2 HIS 98 23.926 1.124 -6.535 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -17.239 42.474 -16.183 2 H2 GLY 1 2H GLY 1 -16.219 41.797 -17.346 3 H3 GLY 1 3H GLY 1 -15.626 42.969 -16.283 4 HA2 GLY 1 2HA GLY 1 -14.867 40.775 -15.626 5 HA3 GLY 1 3HA GLY 1 -15.914 41.488 -14.409 6 H ASP 2 H ASP 2 -15.326 38.663 -14.850 7 HA ASP 2 HA ASP 2 -17.666 37.503 -16.079 8 HB2 ASP 2 2HB ASP 2 -15.267 36.374 -14.650 9 HB3 ASP 2 3HB ASP 2 -16.622 35.346 -15.109 10 H ARG 3 H ARG 3 -18.792 35.653 -14.779 11 HA ARG 3 HA ARG 3 -19.673 36.820 -12.215 12 HB2 ARG 3 2HB ARG 3 -21.914 35.661 -12.757 13 HB3 ARG 3 3HB ARG 3 -21.524 37.159 -13.583 14 HG2 ARG 3 2HG ARG 3 -20.992 34.482 -14.849 15 HG3 ARG 3 3HG ARG 3 -22.569 35.265 -14.946 16 HD2 ARG 3 2HD ARG 3 -21.392 37.283 -15.899 17 HD3 ARG 3 3HD ARG 3 -19.933 36.298 -15.994 18 HE ARG 3 HE ARG 3 -22.402 35.496 -17.381 19 HH11 ARG 3 1HH1 ARG 3 -19.031 36.195 -17.443 20 HH12 ARG 3 2HH1 ARG 3 -18.872 35.821 -19.121 21 HH21 ARG 3 1HH2 ARG 3 -22.197 35.033 -19.526 22 HH22 ARG 3 2HH2 ARG 3 -20.653 35.181 -20.295 23 H ARG 4 H ARG 4 -19.528 35.592 -10.466 24 HA ARG 4 HA ARG 4 -18.424 32.907 -10.773 25 HB2 ARG 4 2HB ARG 4 -17.859 35.052 -9.087 26 HB3 ARG 4 3HB ARG 4 -18.682 33.916 -8.034 27 HG2 ARG 4 2HG ARG 4 -16.250 33.276 -9.705 28 HG3 ARG 4 3HG ARG 4 -16.225 33.693 -7.992 29 HD2 ARG 4 2HD ARG 4 -17.754 31.717 -7.607 30 HD3 ARG 4 3HD ARG 4 -17.449 31.255 -9.285 31 HE ARG 4 HE ARG 4 -15.013 31.670 -7.889 32 HH11 ARG 4 1HH1 ARG 4 -17.561 29.375 -8.242 33 HH12 ARG 4 2HH1 ARG 4 -16.574 28.054 -7.732 34 HH21 ARG 4 1HH2 ARG 4 -13.777 29.961 -7.231 35 HH22 ARG 4 2HH2 ARG 4 -14.462 28.370 -7.196 36 H VAL 5 H VAL 5 -21.477 33.918 -10.668 37 HA VAL 5 HA VAL 5 -22.611 32.454 -8.510 38 HB VAL 5 HB VAL 5 -23.844 34.300 -9.460 39 HG11 VAL 5 1HG1 VAL 5 -24.841 34.231 -11.692 40 HG12 VAL 5 2HG1 VAL 5 -24.045 32.689 -12.008 41 HG13 VAL 5 3HG1 VAL 5 -23.081 34.146 -11.775 42 HG21 VAL 5 3HG2 VAL 5 -25.302 31.699 -9.977 43 HG22 VAL 5 1HG2 VAL 5 -26.053 33.276 -9.729 44 HG23 VAL 5 2HG2 VAL 5 -25.155 32.513 -8.419 45 H ARG 6 H ARG 6 -21.716 30.373 -8.584 46 HA ARG 6 HA ARG 6 -21.580 28.161 -9.094 47 HB2 ARG 6 2HB ARG 6 -24.358 28.833 -10.049 48 HB3 ARG 6 3HB ARG 6 -23.720 27.204 -10.219 49 HG2 ARG 6 2HG ARG 6 -25.046 27.335 -8.220 50 HG3 ARG 6 3HG ARG 6 -23.354 27.106 -7.784 51 HD2 ARG 6 2HD ARG 6 -23.191 29.558 -7.364 52 HD3 ARG 6 3HD ARG 6 -24.922 29.687 -7.677 53 HE ARG 6 HE ARG 6 -24.461 27.739 -5.696 54 HH11 ARG 6 1HH1 ARG 6 -24.441 31.168 -6.109 55 HH12 ARG 6 2HH1 ARG 6 -24.719 31.471 -4.434 56 HH21 ARG 6 1HH2 ARG 6 -24.823 28.151 -3.568 57 HH22 ARG 6 2HH2 ARG 6 -24.930 29.784 -3.007 58 H LEU 7 H LEU 7 -20.073 29.569 -10.785 59 HA LEU 7 HA LEU 7 -20.722 29.050 -13.557 60 HB2 LEU 7 2HB LEU 7 -19.546 31.102 -12.856 61 HB3 LEU 7 3HB LEU 7 -18.192 30.135 -12.303 62 HG LEU 7 HG LEU 7 -17.799 29.381 -14.637 63 HD11 LEU 7 1HD1 LEU 7 -18.928 30.556 -16.482 64 HD12 LEU 7 2HD1 LEU 7 -20.003 31.328 -15.315 65 HD13 LEU 7 3HD1 LEU 7 -20.039 29.577 -15.525 66 HD21 LEU 7 3HD2 LEU 7 -17.847 32.385 -14.295 67 HD22 LEU 7 1HD2 LEU 7 -16.881 31.489 -15.467 68 HD23 LEU 7 2HD2 LEU 7 -16.570 31.301 -13.742 69 H ILE 8 H ILE 8 -18.261 27.843 -11.257 70 HA ILE 8 HA ILE 8 -17.124 26.056 -13.207 71 HB ILE 8 HB ILE 8 -15.706 27.021 -11.466 72 HG12 ILE 8 2HG1 ILE 8 -14.557 24.937 -10.736 73 HG13 ILE 8 3HG1 ILE 8 -15.956 24.004 -11.256 74 HG21 ILE 8 1HG2 ILE 8 -17.325 27.127 -9.648 75 HG22 ILE 8 2HG2 ILE 8 -15.859 26.293 -9.132 76 HG23 ILE 8 3HG2 ILE 8 -17.313 25.368 -9.514 77 HD11 ILE 8 3HD1 ILE 8 -14.175 23.899 -12.894 78 HD12 ILE 8 1HD1 ILE 8 -14.169 25.658 -13.032 79 HD13 ILE 8 2HD1 ILE 8 -15.577 24.736 -13.561 80 H ARG 9 H ARG 9 -17.508 23.916 -13.526 81 HA ARG 9 HA ARG 9 -19.571 22.606 -11.855 82 HB2 ARG 9 2HB ARG 9 -20.606 21.727 -13.904 83 HB3 ARG 9 3HB ARG 9 -20.614 23.489 -13.884 84 HG2 ARG 9 2HG ARG 9 -18.772 23.576 -15.428 85 HG3 ARG 9 3HG ARG 9 -18.568 21.823 -15.349 86 HD2 ARG 9 2HD ARG 9 -20.982 23.280 -16.419 87 HD3 ARG 9 3HD ARG 9 -19.726 22.506 -17.386 88 HE ARG 9 HE ARG 9 -20.800 20.608 -15.622 89 HH11 ARG 9 1HH1 ARG 9 -21.739 22.416 -18.408 90 HH12 ARG 9 2HH1 ARG 9 -22.862 21.206 -18.931 91 HH21 ARG 9 1HH2 ARG 9 -22.249 19.087 -16.304 92 HH22 ARG 9 2HH2 ARG 9 -23.153 19.357 -17.757 93 H THR 10 H THR 10 -16.616 22.284 -12.010 94 HA THR 10 HA THR 10 -15.505 20.263 -13.365 95 HB THR 10 HB THR 10 -15.235 20.582 -10.367 96 HG1 THR 10 HG1 THR 10 -13.854 22.174 -10.810 97 HG21 THR 10 3HG2 THR 10 -13.363 19.301 -12.373 98 HG22 THR 10 1HG2 THR 10 -14.287 18.452 -11.133 99 HG23 THR 10 2HG2 THR 10 -13.006 19.570 -10.668 100 H ARG 11 H ARG 11 -16.460 18.418 -14.020 101 HA ARG 11 HA ARG 11 -17.148 16.395 -12.036 102 HB2 ARG 11 2HB ARG 11 -19.298 17.470 -12.371 103 HB3 ARG 11 3HB ARG 11 -19.117 17.384 -14.117 104 HG2 ARG 11 2HG ARG 11 -20.660 15.696 -13.456 105 HG3 ARG 11 3HG ARG 11 -19.165 14.894 -13.933 106 HD2 ARG 11 2HD ARG 11 -18.542 14.793 -11.505 107 HD3 ARG 11 3HD ARG 11 -20.152 15.410 -11.125 108 HE ARG 11 HE ARG 11 -19.917 12.963 -12.717 109 HH11 ARG 11 1HH1 ARG 11 -20.841 14.493 -9.764 110 HH12 ARG 11 2HH1 ARG 11 -21.630 13.075 -9.166 111 HH21 ARG 11 1HH2 ARG 11 -20.939 11.188 -11.949 112 HH22 ARG 11 2HH2 ARG 11 -21.689 11.222 -10.390 113 H GLY 12 H GLY 12 -16.527 14.393 -12.677 114 HA2 GLY 12 2HA GLY 12 -16.762 13.047 -14.970 115 HA3 GLY 12 3HA GLY 12 -15.390 14.075 -15.347 116 H GLY 13 H GLY 13 -15.624 11.110 -15.072 117 HA2 GLY 13 2HA GLY 13 -13.680 9.768 -14.622 118 HA3 GLY 13 3HA GLY 13 -13.322 10.791 -13.244 119 H ASN 14 H ASN 14 -15.136 8.070 -14.414 120 HA ASN 14 HA ASN 14 -15.562 7.177 -11.665 121 HB2 ASN 14 2HB ASN 14 -17.659 8.339 -12.313 122 HB3 ASN 14 3HB ASN 14 -17.821 7.246 -13.686 123 HD21 ASN 14 1HD2 ASN 14 -17.853 7.474 -10.203 124 HD22 ASN 14 2HD2 ASN 14 -18.730 6.011 -9.928 125 H THR 15 H THR 15 -14.618 5.245 -11.571 126 HA THR 15 HA THR 15 -13.868 3.764 -13.875 127 HB THR 15 HB THR 15 -12.501 3.684 -11.852 128 HG1 THR 15 HG1 THR 15 -12.439 1.258 -11.705 129 HG21 THR 15 3HG2 THR 15 -14.821 2.172 -10.631 130 HG22 THR 15 1HG2 THR 15 -14.270 3.783 -10.165 131 HG23 THR 15 2HG2 THR 15 -13.234 2.382 -9.892 132 H LYS 16 H LYS 16 -14.282 1.472 -14.227 133 HA LYS 16 HA LYS 16 -17.014 0.601 -13.493 134 HB2 LYS 16 2HB LYS 16 -16.827 1.238 -15.886 135 HB3 LYS 16 3HB LYS 16 -15.527 0.075 -16.088 136 HG2 LYS 16 2HG LYS 16 -17.554 -0.856 -16.967 137 HG3 LYS 16 3HG LYS 16 -17.110 -1.743 -15.509 138 HD2 LYS 16 2HD LYS 16 -19.486 -1.345 -15.471 139 HD3 LYS 16 3HD LYS 16 -18.730 -0.346 -14.230 140 HE2 LYS 16 2HE LYS 16 -20.408 0.945 -15.400 141 HE3 LYS 16 3HE LYS 16 -18.809 1.581 -15.783 142 HZ1 LYS 16 3HZ LYS 16 -20.083 1.463 -17.776 143 HZ2 LYS 16 1HZ LYS 16 -20.497 -0.154 -17.495 144 HZ3 LYS 16 2HZ LYS 16 -18.900 0.258 -17.860 145 H VAL 17 H VAL 17 -13.760 -0.005 -13.129 146 HA VAL 17 HA VAL 17 -14.187 -2.853 -12.519 147 HB VAL 17 HB VAL 17 -13.234 -2.746 -14.791 148 HG11 VAL 17 1HG1 VAL 17 -10.953 -1.905 -15.155 149 HG12 VAL 17 2HG1 VAL 17 -10.905 -1.326 -13.490 150 HG13 VAL 17 3HG1 VAL 17 -12.052 -0.626 -14.633 151 HG21 VAL 17 3HG2 VAL 17 -12.681 -4.670 -13.411 152 HG22 VAL 17 1HG2 VAL 17 -11.303 -3.810 -12.719 153 HG23 VAL 17 2HG2 VAL 17 -11.306 -4.242 -14.427 154 H ARG 18 H ARG 18 -12.794 -3.728 -10.949 155 HA ARG 18 HA ARG 18 -11.897 -1.985 -8.918 156 HB2 ARG 18 2HB ARG 18 -11.070 -4.000 -7.819 157 HB3 ARG 18 3HB ARG 18 -12.655 -4.297 -8.524 158 HG2 ARG 18 2HG ARG 18 -11.423 -5.291 -10.517 159 HG3 ARG 18 3HG ARG 18 -9.977 -5.254 -9.506 160 HD2 ARG 18 2HD ARG 18 -10.970 -7.437 -9.363 161 HD3 ARG 18 3HD ARG 18 -11.184 -6.618 -7.816 162 HE ARG 18 HE ARG 18 -13.474 -6.089 -9.218 163 HH11 ARG 18 1HH1 ARG 18 -11.835 -8.961 -8.232 164 HH12 ARG 18 2HH1 ARG 18 -13.296 -9.879 -8.123 165 HH21 ARG 18 1HH2 ARG 18 -15.334 -7.279 -9.064 166 HH22 ARG 18 2HH2 ARG 18 -15.250 -8.944 -8.607 167 H LEU 19 H LEU 19 -10.201 -3.521 -11.584 168 HA LEU 19 HA LEU 19 -8.028 -1.721 -11.532 169 HB2 LEU 19 2HB LEU 19 -7.512 -3.169 -9.506 170 HB3 LEU 19 3HB LEU 19 -7.300 -4.516 -10.604 171 HG LEU 19 HG LEU 19 -5.645 -2.000 -10.876 172 HD11 LEU 19 1HD1 LEU 19 -5.007 -4.416 -9.175 173 HD12 LEU 19 2HD1 LEU 19 -5.363 -2.792 -8.583 174 HD13 LEU 19 3HD1 LEU 19 -3.908 -3.083 -9.536 175 HD21 LEU 19 3HD2 LEU 19 -4.044 -3.514 -11.949 176 HD22 LEU 19 1HD2 LEU 19 -5.603 -3.554 -12.773 177 HD23 LEU 19 2HD2 LEU 19 -5.140 -4.871 -11.694 178 H ALA 20 H ALA 20 -7.223 -1.668 -13.569 179 HA ALA 20 HA ALA 20 -7.023 -4.062 -15.187 180 HB1 ALA 20 3HB ALA 20 -8.468 -3.312 -16.990 181 HB2 ALA 20 1HB ALA 20 -8.881 -1.853 -16.085 182 HB3 ALA 20 2HB ALA 20 -9.387 -3.434 -15.489 183 H SER 21 H SER 21 -5.242 -3.926 -16.364 184 HA SER 21 HA SER 21 -3.595 -3.186 -17.737 185 HB2 SER 21 2HB SER 21 -5.296 -1.835 -18.919 186 HB3 SER 21 3HB SER 21 -5.046 -0.523 -17.770 187 HG SER 21 HG SER 21 -3.340 0.055 -18.841 188 H ASP 22 H ASP 22 -4.485 -0.661 -15.390 189 HA ASP 22 HA ASP 22 -1.624 -0.235 -14.817 190 HB2 ASP 22 2HB ASP 22 -3.249 1.681 -15.549 191 HB3 ASP 22 3HB ASP 22 -3.835 1.593 -13.892 192 H THR 23 H THR 23 -0.839 -0.940 -12.914 193 HA THR 23 HA THR 23 -2.725 -1.995 -10.913 194 HB THR 23 HB THR 23 0.271 -2.432 -11.128 195 HG1 THR 23 HG1 THR 23 -0.775 -3.425 -12.858 196 HG21 THR 23 3HG2 THR 23 -0.642 -2.726 -8.841 197 HG22 THR 23 1HG2 THR 23 -0.062 -4.240 -9.537 198 HG23 THR 23 2HG2 THR 23 -1.792 -3.904 -9.472 199 H ARG 24 H ARG 24 -3.227 -0.665 -9.272 200 HA ARG 24 HA ARG 24 -1.104 0.914 -7.993 201 HB2 ARG 24 2HB ARG 24 -3.782 2.080 -8.819 202 HB3 ARG 24 3HB ARG 24 -2.535 2.914 -7.897 203 HG2 ARG 24 2HG ARG 24 -1.009 2.734 -9.809 204 HG3 ARG 24 3HG ARG 24 -2.274 1.921 -10.732 205 HD2 ARG 24 2HD ARG 24 -3.696 3.944 -10.462 206 HD3 ARG 24 3HD ARG 24 -2.335 4.750 -9.676 207 HE ARG 24 HE ARG 24 -1.595 3.699 -12.208 208 HH11 ARG 24 1HH1 ARG 24 -3.236 6.327 -10.725 209 HH12 ARG 24 2HH1 ARG 24 -3.005 7.384 -12.068 210 HH21 ARG 24 1HH2 ARG 24 -1.314 5.033 -13.942 211 HH22 ARG 24 2HH2 ARG 24 -1.928 6.649 -13.889 212 H ILE 25 H ILE 25 -1.934 1.953 -5.922 213 HA ILE 25 HA ILE 25 -4.099 0.542 -4.584 214 HB ILE 25 HB ILE 25 -2.227 -0.989 -4.238 215 HG12 ILE 25 2HG1 ILE 25 -2.834 0.576 -1.704 216 HG13 ILE 25 3HG1 ILE 25 -3.858 -0.680 -2.394 217 HG21 ILE 25 1HG2 ILE 25 -0.201 -0.304 -3.036 218 HG22 ILE 25 2HG2 ILE 25 -0.774 1.364 -3.016 219 HG23 ILE 25 3HG2 ILE 25 -0.386 0.582 -4.549 220 HD11 ILE 25 3HD1 ILE 25 -2.075 -2.318 -2.033 221 HD12 ILE 25 1HD1 ILE 25 -2.572 -1.534 -0.533 222 HD13 ILE 25 2HD1 ILE 25 -1.070 -1.054 -1.322 223 H ASN 26 H ASN 26 -4.978 1.721 -2.896 224 HA ASN 26 HA ASN 26 -4.098 4.432 -2.502 225 HB2 ASN 26 2HB ASN 26 -6.268 2.788 -1.183 226 HB3 ASN 26 3HB ASN 26 -5.949 4.472 -0.772 227 HD21 ASN 26 1HD2 ASN 26 -8.329 3.292 -1.887 228 HD22 ASN 26 2HD2 ASN 26 -8.620 4.112 -3.380 229 H VAL 27 H VAL 27 -2.251 4.692 -1.463 230 HA VAL 27 HA VAL 27 -1.473 3.039 0.787 231 HB VAL 27 HB VAL 27 -0.048 5.424 -0.422 232 HG11 VAL 27 1HG1 VAL 27 1.956 4.460 0.617 233 HG12 VAL 27 2HG1 VAL 27 0.967 3.191 1.343 234 HG13 VAL 27 3HG1 VAL 27 0.733 4.875 1.819 235 HG21 VAL 27 3HG2 VAL 27 -0.411 3.715 -2.120 236 HG22 VAL 27 1HG2 VAL 27 0.259 2.482 -1.050 237 HG23 VAL 27 2HG2 VAL 27 1.292 3.774 -1.664 238 H VAL 28 H VAL 28 -1.505 3.644 2.904 239 HA VAL 28 HA VAL 28 -2.508 6.343 3.550 240 HB VAL 28 HB VAL 28 -2.648 3.851 5.274 241 HG11 VAL 28 1HG1 VAL 28 -4.171 5.174 6.670 242 HG12 VAL 28 2HG1 VAL 28 -3.909 6.575 5.631 243 HG13 VAL 28 3HG1 VAL 28 -2.573 5.915 6.575 244 HG21 VAL 28 3HG2 VAL 28 -4.084 3.606 3.322 245 HG22 VAL 28 1HG2 VAL 28 -4.810 5.185 3.630 246 HG23 VAL 28 2HG2 VAL 28 -5.062 3.860 4.767 247 H ASP 29 H ASP 29 -0.744 7.581 3.911 248 HA ASP 29 HA ASP 29 1.651 6.733 5.140 249 HB2 ASP 29 2HB ASP 29 1.514 8.748 3.750 250 HB3 ASP 29 3HB ASP 29 0.476 9.516 4.946 251 HA PRO 30 HA PRO 30 -0.088 6.500 9.288 252 HB2 PRO 30 2HB PRO 30 2.059 5.411 10.526 253 HB3 PRO 30 3HB PRO 30 1.002 4.481 9.458 254 HG2 PRO 30 2HG PRO 30 3.672 5.709 8.875 255 HG3 PRO 30 3HG PRO 30 3.049 4.113 8.415 256 HD2 PRO 30 2HD PRO 30 3.095 6.252 6.715 257 HD3 PRO 30 3HD PRO 30 1.898 4.947 6.605 258 H GLU 31 H GLU 31 2.584 8.439 8.309 259 HA GLU 31 HA GLU 31 3.099 9.584 10.918 260 HB2 GLU 31 2HB GLU 31 3.974 10.463 8.157 261 HB3 GLU 31 3HB GLU 31 4.537 11.175 9.664 262 HG2 GLU 31 2HG GLU 31 5.519 9.041 10.319 263 HG3 GLU 31 3HG GLU 31 4.937 8.305 8.826 264 H THR 32 H THR 32 1.403 10.586 7.976 265 HA THR 32 HA THR 32 0.391 13.002 9.334 266 HB THR 32 HB THR 32 -0.358 13.739 7.117 267 HG1 THR 32 HG1 THR 32 0.920 11.480 5.974 268 HG21 THR 32 3HG2 THR 32 2.504 12.751 7.053 269 HG22 THR 32 1HG2 THR 32 1.955 14.254 7.795 270 HG23 THR 32 2HG2 THR 32 1.826 14.034 6.049 271 H GLY 33 H GLY 33 -0.637 9.932 8.038 272 HA2 GLY 33 2HA GLY 33 -2.653 8.819 8.479 273 HA3 GLY 33 3HA GLY 33 -3.334 10.322 9.084 274 H LYS 34 H LYS 34 -1.767 10.649 6.076 275 HA LYS 34 HA LYS 34 -4.292 11.208 4.761 276 HB2 LYS 34 2HB LYS 34 -2.993 12.146 2.988 277 HB3 LYS 34 3HB LYS 34 -2.214 12.625 4.491 278 HG2 LYS 34 2HG LYS 34 -0.539 10.883 4.205 279 HG3 LYS 34 3HG LYS 34 -1.342 10.333 2.735 280 HD2 LYS 34 2HD LYS 34 0.547 11.672 2.112 281 HD3 LYS 34 3HD LYS 34 -0.919 12.576 1.734 282 HE2 LYS 34 2HE LYS 34 -0.628 13.996 3.617 283 HE3 LYS 34 3HE LYS 34 0.641 12.967 4.284 284 HZ1 LYS 34 3HZ LYS 34 1.584 14.911 3.255 285 HZ2 LYS 34 1HZ LYS 34 0.822 14.561 1.788 286 HZ3 LYS 34 2HZ LYS 34 2.031 13.537 2.382 287 H VAL 35 H VAL 35 -4.793 10.348 2.592 288 HA VAL 35 HA VAL 35 -3.718 7.632 2.147 289 HB VAL 35 HB VAL 35 -6.443 8.664 1.328 290 HG11 VAL 35 1HG1 VAL 35 -5.219 5.908 1.141 291 HG12 VAL 35 2HG1 VAL 35 -5.654 6.968 -0.201 292 HG13 VAL 35 3HG1 VAL 35 -6.914 6.283 0.824 293 HG21 VAL 35 3HG2 VAL 35 -7.325 7.138 3.062 294 HG22 VAL 35 1HG2 VAL 35 -6.339 8.435 3.739 295 HG23 VAL 35 2HG2 VAL 35 -5.672 6.808 3.586 296 H GLU 36 H GLU 36 -2.069 8.117 0.717 297 HA GLU 36 HA GLU 36 -2.713 9.583 -1.747 298 HB2 GLU 36 2HB GLU 36 -0.282 9.277 -2.286 299 HB3 GLU 36 3HB GLU 36 -0.591 10.204 -0.830 300 HG2 GLU 36 2HG GLU 36 -0.141 7.288 -0.502 301 HG3 GLU 36 3HG GLU 36 1.246 8.271 -0.966 302 H ILE 37 H ILE 37 -1.771 8.581 -3.846 303 HA ILE 37 HA ILE 37 -2.479 5.707 -3.917 304 HB ILE 37 HB ILE 37 -2.587 7.724 -6.178 305 HG12 ILE 37 2HG1 ILE 37 -4.830 6.384 -4.632 306 HG13 ILE 37 3HG1 ILE 37 -4.359 8.074 -4.490 307 HG21 ILE 37 1HG2 ILE 37 -3.409 4.816 -6.106 308 HG22 ILE 37 2HG2 ILE 37 -2.049 5.497 -6.997 309 HG23 ILE 37 3HG2 ILE 37 -3.700 5.925 -7.445 310 HD11 ILE 37 3HD1 ILE 37 -5.481 6.756 -6.955 311 HD12 ILE 37 1HD1 ILE 37 -5.010 8.449 -6.815 312 HD13 ILE 37 2HD1 ILE 37 -6.348 7.823 -5.853 313 H ALA 38 H ALA 38 -0.999 4.250 -4.644 314 HA ALA 38 HA ALA 38 1.433 5.268 -5.983 315 HB1 ALA 38 3HB ALA 38 1.937 4.825 -3.628 316 HB2 ALA 38 1HB ALA 38 2.807 3.726 -4.697 317 HB3 ALA 38 2HB ALA 38 1.383 3.163 -3.821 318 H GLU 39 H GLU 39 2.511 3.789 -7.361 319 HA GLU 39 HA GLU 39 0.744 1.797 -8.570 320 HB2 GLU 39 2HB GLU 39 3.419 2.910 -9.473 321 HB3 GLU 39 3HB GLU 39 2.436 1.776 -10.395 322 HG2 GLU 39 2HG GLU 39 0.705 3.393 -10.686 323 HG3 GLU 39 3HG GLU 39 1.469 4.503 -9.549 324 H ILE 40 H ILE 40 1.001 -0.360 -8.276 325 HA ILE 40 HA ILE 40 3.010 -1.262 -6.401 326 HB ILE 40 HB ILE 40 0.923 -2.869 -7.892 327 HG12 ILE 40 2HG1 ILE 40 0.887 -1.738 -5.078 328 HG13 ILE 40 3HG1 ILE 40 -0.069 -1.144 -6.434 329 HG21 ILE 40 1HG2 ILE 40 2.603 -3.615 -5.495 330 HG22 ILE 40 2HG2 ILE 40 2.768 -4.266 -7.125 331 HG23 ILE 40 3HG2 ILE 40 1.311 -4.593 -6.190 332 HD11 ILE 40 3HD1 ILE 40 -1.405 -2.515 -4.947 333 HD12 ILE 40 1HD1 ILE 40 -0.297 -3.868 -5.168 334 HD13 ILE 40 2HD1 ILE 40 -1.252 -3.278 -6.530 335 H ARG 41 H ARG 41 5.009 -1.718 -7.045 336 HA ARG 41 HA ARG 41 5.616 -2.531 -9.754 337 HB2 ARG 41 2HB ARG 41 7.436 -2.238 -7.349 338 HB3 ARG 41 3HB ARG 41 7.960 -2.444 -9.016 339 HG2 ARG 41 2HG ARG 41 6.862 -0.301 -9.591 340 HG3 ARG 41 3HG ARG 41 6.447 -0.088 -7.888 341 HD2 ARG 41 2HD ARG 41 9.266 -0.392 -8.932 342 HD3 ARG 41 3HD ARG 41 8.487 1.157 -8.623 343 HE ARG 41 HE ARG 41 8.259 -0.094 -6.244 344 HH11 ARG 41 1HH1 ARG 41 10.944 0.333 -8.360 345 HH12 ARG 41 2HH1 ARG 41 12.077 0.499 -7.064 346 HH21 ARG 41 1HH2 ARG 41 9.735 0.115 -4.577 347 HH22 ARG 41 2HH2 ARG 41 11.406 0.377 -4.961 348 H ASN 42 H ASN 42 5.895 -3.975 -6.512 349 HA ASN 42 HA ASN 42 5.798 -6.656 -7.718 350 HB2 ASN 42 2HB ASN 42 7.839 -5.730 -5.680 351 HB3 ASN 42 3HB ASN 42 7.541 -7.420 -6.069 352 HD21 ASN 42 1HD2 ASN 42 8.929 -4.444 -7.139 353 HD22 ASN 42 2HD2 ASN 42 9.752 -5.092 -8.512 354 H VAL 43 H VAL 43 5.309 -8.368 -6.096 355 HA VAL 43 HA VAL 43 3.579 -7.326 -3.927 356 HB VAL 43 HB VAL 43 2.401 -8.460 -5.839 357 HG11 VAL 43 1HG1 VAL 43 4.059 -10.157 -6.363 358 HG12 VAL 43 2HG1 VAL 43 2.500 -10.903 -6.011 359 HG13 VAL 43 3HG1 VAL 43 3.785 -10.936 -4.804 360 HG21 VAL 43 3HG2 VAL 43 1.330 -8.296 -3.660 361 HG22 VAL 43 1HG2 VAL 43 2.122 -9.780 -3.131 362 HG23 VAL 43 2HG2 VAL 43 0.922 -9.833 -4.422 363 H VAL 44 H VAL 44 6.492 -8.698 -4.349 364 HA VAL 44 HA VAL 44 6.426 -10.919 -2.575 365 HB VAL 44 HB VAL 44 8.150 -10.815 -4.247 366 HG11 VAL 44 1HG1 VAL 44 9.164 -8.329 -2.863 367 HG12 VAL 44 2HG1 VAL 44 8.403 -8.406 -4.452 368 HG13 VAL 44 3HG1 VAL 44 9.970 -9.169 -4.189 369 HG21 VAL 44 3HG2 VAL 44 8.684 -12.010 -2.185 370 HG22 VAL 44 1HG2 VAL 44 9.356 -10.536 -1.490 371 HG23 VAL 44 2HG2 VAL 44 10.132 -11.286 -2.885 372 H GLU 45 H GLU 45 5.703 -10.545 -0.561 373 HA GLU 45 HA GLU 45 6.429 -8.303 1.053 374 HB2 GLU 45 2HB GLU 45 5.350 -9.583 2.890 375 HB3 GLU 45 3HB GLU 45 4.337 -9.460 1.456 376 HG2 GLU 45 2HG GLU 45 4.851 -11.731 0.830 377 HG3 GLU 45 3HG GLU 45 6.028 -11.864 2.136 378 H ASN 46 H ASN 46 7.082 -9.340 3.536 379 HA ASN 46 HA ASN 46 9.880 -9.709 3.335 380 HB2 ASN 46 2HB ASN 46 8.766 -8.646 5.277 381 HB3 ASN 46 3HB ASN 46 8.093 -10.206 5.734 382 HD21 ASN 46 1HD2 ASN 46 9.442 -11.746 6.665 383 HD22 ASN 46 2HD2 ASN 46 11.028 -11.357 7.232 384 H THR 47 H THR 47 10.143 -11.509 1.967 385 HA THR 47 HA THR 47 10.435 -14.010 3.367 386 HB THR 47 HB THR 47 8.068 -14.204 2.683 387 HG1 THR 47 HG1 THR 47 8.724 -16.084 1.012 388 HG21 THR 47 3HG2 THR 47 8.124 -12.744 0.701 389 HG22 THR 47 1HG2 THR 47 7.453 -14.329 0.314 390 HG23 THR 47 2HG2 THR 47 9.109 -13.938 -0.150 391 H ALA 48 H ALA 48 11.142 -15.759 1.576 392 HA ALA 48 HA ALA 48 13.502 -14.775 0.356 393 HB1 ALA 48 3HB ALA 48 13.760 -17.030 -0.535 394 HB2 ALA 48 1HB ALA 48 12.088 -17.400 -0.115 395 HB3 ALA 48 2HB ALA 48 13.266 -17.077 1.157 396 H ASN 49 H ASN 49 13.991 -15.400 -2.050 397 HA ASN 49 HA ASN 49 12.134 -13.954 -3.723 398 HB2 ASN 49 2HB ASN 49 14.772 -15.303 -4.322 399 HB3 ASN 49 3HB ASN 49 13.819 -14.459 -5.540 400 HD21 ASN 49 1HD2 ASN 49 15.811 -14.118 -2.729 401 HD22 ASN 49 2HD2 ASN 49 16.000 -12.404 -2.829 402 HA PRO 50 HA PRO 50 9.849 -17.596 -4.888 403 HB2 PRO 50 2HB PRO 50 8.595 -16.004 -7.001 404 HB3 PRO 50 3HB PRO 50 7.886 -16.652 -5.520 405 HG2 PRO 50 2HG PRO 50 8.306 -14.000 -5.904 406 HG3 PRO 50 3HG PRO 50 8.367 -14.760 -4.303 407 HD2 PRO 50 2HD PRO 50 10.629 -13.968 -6.113 408 HD3 PRO 50 3HD PRO 50 10.471 -13.773 -4.352 409 H HIS 51 H HIS 51 10.192 -19.254 -6.246 410 HA HIS 51 HA HIS 51 11.316 -18.710 -8.927 411 HB2 HIS 51 2HB HIS 51 11.789 -21.110 -7.140 412 HB3 HIS 51 3HB HIS 51 12.342 -20.985 -8.807 413 HD1 HIS 51 HD1 HIS 51 14.599 -19.994 -9.137 414 HD2 HIS 51 HD2 HIS 51 13.022 -19.063 -5.409 415 HE1 HIS 51 HE1 HIS 51 16.418 -18.770 -7.926 416 HE2 HIS 51 HE2 HIS 51 15.499 -18.359 -5.623 417 H PHE 52 H PHE 52 9.253 -20.919 -7.048 418 HA PHE 52 HA PHE 52 7.912 -21.761 -9.526 419 HB2 PHE 52 2HB PHE 52 7.743 -22.911 -6.726 420 HB3 PHE 52 3HB PHE 52 6.929 -23.563 -8.145 421 HD1 PHE 52 HD2 PHE 52 8.264 -24.577 -9.985 422 HD2 PHE 52 HD1 PHE 52 10.052 -23.352 -6.310 423 HE1 PHE 52 HE2 PHE 52 10.251 -25.928 -10.501 424 HE2 PHE 52 HE1 PHE 52 12.047 -24.698 -6.834 425 HZ PHE 52 HZ PHE 52 12.146 -25.986 -8.928 426 H VAL 53 H VAL 53 6.551 -20.066 -9.968 427 HA VAL 53 HA VAL 53 4.067 -19.967 -8.547 428 HB VAL 53 HB VAL 53 5.401 -18.463 -7.100 429 HG11 VAL 53 1HG1 VAL 53 5.751 -16.798 -9.595 430 HG12 VAL 53 2HG1 VAL 53 7.017 -17.655 -8.714 431 HG13 VAL 53 3HG1 VAL 53 6.185 -16.294 -7.961 432 HG21 VAL 53 3HG2 VAL 53 3.281 -17.039 -8.721 433 HG22 VAL 53 1HG2 VAL 53 3.877 -16.531 -7.137 434 HG23 VAL 53 2HG2 VAL 53 3.011 -18.060 -7.305 435 H ARG 54 H ARG 54 2.412 -18.929 -9.775 436 HA ARG 54 HA ARG 54 3.204 -18.481 -12.569 437 HB2 ARG 54 2HB ARG 54 0.523 -19.205 -11.379 438 HB3 ARG 54 3HB ARG 54 0.758 -18.804 -13.074 439 HG2 ARG 54 2HG ARG 54 0.799 -21.126 -13.068 440 HG3 ARG 54 3HG ARG 54 2.509 -20.694 -13.075 441 HD2 ARG 54 2HD ARG 54 2.167 -22.480 -11.495 442 HD3 ARG 54 3HD ARG 54 2.541 -21.004 -10.602 443 HE ARG 54 HE ARG 54 -0.236 -21.209 -10.819 444 HH11 ARG 54 1HH1 ARG 54 2.359 -22.888 -9.290 445 HH12 ARG 54 2HH1 ARG 54 1.356 -23.442 -7.993 446 HH21 ARG 54 1HH2 ARG 54 -1.490 -21.939 -9.169 447 HH22 ARG 54 2HH2 ARG 54 -0.786 -22.914 -7.926 448 H ARG 55 H ARG 55 1.081 -16.988 -10.080 449 HA ARG 55 HA ARG 55 1.444 -14.430 -11.492 450 HB2 ARG 55 2HB ARG 55 -0.902 -13.865 -11.362 451 HB3 ARG 55 3HB ARG 55 -0.713 -15.375 -12.240 452 HG2 ARG 55 2HG ARG 55 -1.478 -16.650 -10.359 453 HG3 ARG 55 3HG ARG 55 -1.454 -15.225 -9.319 454 HD2 ARG 55 2HD ARG 55 -3.195 -14.203 -10.760 455 HD3 ARG 55 3HD ARG 55 -3.259 -15.694 -11.695 456 HE ARG 55 HE ARG 55 -3.985 -16.793 -9.591 457 HH11 ARG 55 1HH1 ARG 55 -4.411 -13.397 -9.979 458 HH12 ARG 55 2HH1 ARG 55 -5.745 -13.328 -8.883 459 HH21 ARG 55 1HH2 ARG 55 -5.704 -16.700 -8.206 460 HH22 ARG 55 2HH2 ARG 55 -6.478 -15.186 -7.892 461 H ASN 56 H ASN 56 0.341 -12.608 -10.160 462 HA ASN 56 HA ASN 56 1.460 -12.731 -7.468 463 HB2 ASN 56 2HB ASN 56 0.990 -10.213 -7.561 464 HB3 ASN 56 3HB ASN 56 2.183 -10.840 -8.694 465 HD21 ASN 56 1HD2 ASN 56 -1.019 -9.527 -8.360 466 HD22 ASN 56 2HD2 ASN 56 -1.272 -9.219 -10.040 467 H ILE 57 H ILE 57 0.099 -13.526 -5.951 468 HA ILE 57 HA ILE 57 -2.752 -12.969 -6.028 469 HB ILE 57 HB ILE 57 -1.095 -14.516 -4.016 470 HG12 ILE 57 2HG1 ILE 57 -2.450 -16.461 -4.960 471 HG13 ILE 57 3HG1 ILE 57 -2.954 -15.377 -6.249 472 HG21 ILE 57 1HG2 ILE 57 -4.094 -14.165 -4.125 473 HG22 ILE 57 2HG2 ILE 57 -3.009 -13.542 -2.881 474 HG23 ILE 57 3HG2 ILE 57 -3.234 -15.281 -3.064 475 HD11 ILE 57 3HD1 ILE 57 -0.132 -16.228 -5.630 476 HD12 ILE 57 1HD1 ILE 57 -0.603 -15.103 -6.904 477 HD13 ILE 57 2HD1 ILE 57 -1.132 -16.782 -6.973 478 H ILE 58 H ILE 58 -3.189 -10.868 -5.550 479 HA ILE 58 HA ILE 58 -1.949 -9.612 -3.209 480 HB ILE 58 HB ILE 58 -3.801 -8.413 -5.287 481 HG12 ILE 58 2HG1 ILE 58 -0.791 -8.185 -4.957 482 HG13 ILE 58 3HG1 ILE 58 -1.621 -9.076 -6.228 483 HG21 ILE 58 1HG2 ILE 58 -3.100 -6.240 -4.341 484 HG22 ILE 58 2HG2 ILE 58 -2.220 -7.093 -3.074 485 HG23 ILE 58 3HG2 ILE 58 -3.974 -7.230 -3.172 486 HD11 ILE 58 3HD1 ILE 58 -0.804 -6.962 -7.058 487 HD12 ILE 58 1HD1 ILE 58 -1.696 -6.095 -5.808 488 HD13 ILE 58 2HD1 ILE 58 -2.567 -6.976 -7.065 489 H THR 59 H THR 59 -2.918 -9.844 -1.304 490 HA THR 59 HA THR 59 -5.802 -9.452 -1.055 491 HB THR 59 HB THR 59 -5.591 -11.892 -1.282 492 HG1 THR 59 HG1 THR 59 -6.463 -12.367 0.960 493 HG21 THR 59 3HG2 THR 59 -3.826 -11.726 1.167 494 HG22 THR 59 1HG2 THR 59 -3.303 -12.167 -0.459 495 HG23 THR 59 2HG2 THR 59 -4.416 -13.213 0.424 496 H ARG 60 H ARG 60 -6.308 -9.737 1.497 497 HA ARG 60 HA ARG 60 -4.966 -7.592 2.760 498 HB2 ARG 60 2HB ARG 60 -7.270 -8.096 3.313 499 HB3 ARG 60 3HB ARG 60 -6.825 -9.695 3.893 500 HG2 ARG 60 2HG ARG 60 -5.525 -8.657 5.712 501 HG3 ARG 60 3HG ARG 60 -6.030 -7.064 5.145 502 HD2 ARG 60 2HD ARG 60 -8.351 -7.601 5.604 503 HD3 ARG 60 3HD ARG 60 -7.906 -9.248 6.061 504 HE ARG 60 HE ARG 60 -6.433 -7.561 7.680 505 HH11 ARG 60 1HH1 ARG 60 -9.776 -8.213 7.144 506 HH12 ARG 60 2HH1 ARG 60 -10.215 -7.799 8.765 507 HH21 ARG 60 1HH2 ARG 60 -7.019 -7.051 9.747 508 HH22 ARG 60 2HH2 ARG 60 -8.682 -7.163 10.217 509 H GLY 61 H GLY 61 -3.308 -7.503 4.207 510 HA2 GLY 61 2HA GLY 61 -1.938 -8.382 5.954 511 HA3 GLY 61 3HA GLY 61 -2.283 -10.004 5.383 512 H ALA 62 H ALA 62 -1.730 -8.925 2.560 513 HA ALA 62 HA ALA 62 1.062 -9.655 2.533 514 HB1 ALA 62 3HB ALA 62 -0.732 -8.792 0.260 515 HB2 ALA 62 1HB ALA 62 -0.480 -10.452 0.800 516 HB3 ALA 62 2HB ALA 62 0.859 -9.539 0.107 517 H VAL 63 H VAL 63 2.780 -8.385 1.674 518 HA VAL 63 HA VAL 63 2.360 -5.463 1.857 519 HB VAL 63 HB VAL 63 4.946 -7.004 2.216 520 HG11 VAL 63 1HG1 VAL 63 5.842 -4.857 3.035 521 HG12 VAL 63 2HG1 VAL 63 4.317 -4.074 2.612 522 HG13 VAL 63 3HG1 VAL 63 5.333 -4.768 1.348 523 HG21 VAL 63 3HG2 VAL 63 3.430 -7.446 4.063 524 HG22 VAL 63 1HG2 VAL 63 3.145 -5.718 4.277 525 HG23 VAL 63 2HG2 VAL 63 4.742 -6.398 4.600 526 H VAL 64 H VAL 64 2.424 -4.397 -0.027 527 HA VAL 64 HA VAL 64 3.700 -5.693 -2.345 528 HB VAL 64 HB VAL 64 2.328 -4.172 -3.741 529 HG11 VAL 64 1HG1 VAL 64 1.513 -6.414 -3.216 530 HG12 VAL 64 2HG1 VAL 64 0.171 -5.273 -3.322 531 HG13 VAL 64 3HG1 VAL 64 0.751 -5.809 -1.743 532 HG21 VAL 64 3HG2 VAL 64 1.078 -3.326 -1.118 533 HG22 VAL 64 1HG2 VAL 64 0.504 -2.884 -2.725 534 HG23 VAL 64 2HG2 VAL 64 2.075 -2.313 -2.163 535 H GLU 65 H GLU 65 5.414 -4.849 -3.324 536 HA GLU 65 HA GLU 65 6.691 -2.464 -2.316 537 HB2 GLU 65 2HB GLU 65 8.094 -4.331 -2.910 538 HB3 GLU 65 3HB GLU 65 7.400 -4.412 -4.521 539 HG2 GLU 65 2HG GLU 65 9.579 -3.461 -4.684 540 HG3 GLU 65 3HG GLU 65 8.401 -2.199 -5.022 541 H THR 66 H THR 66 5.694 -0.588 -2.890 542 HA THR 66 HA THR 66 4.854 -0.180 -5.685 543 HB THR 66 HB THR 66 3.556 1.699 -4.937 544 HG1 THR 66 HG1 THR 66 4.456 1.336 -2.269 545 HG21 THR 66 3HG2 THR 66 2.033 0.676 -3.326 546 HG22 THR 66 1HG2 THR 66 3.257 -0.523 -2.908 547 HG23 THR 66 2HG2 THR 66 2.548 -0.511 -4.525 548 H ASN 67 H ASN 67 5.178 2.208 -6.439 549 HA ASN 67 HA ASN 67 7.938 2.722 -6.624 550 HB2 ASN 67 2HB ASN 67 7.277 4.884 -7.667 551 HB3 ASN 67 3HB ASN 67 6.449 3.492 -8.355 552 HD21 ASN 67 1HD2 ASN 67 5.743 6.355 -8.243 553 HD22 ASN 67 2HD2 ASN 67 4.162 6.405 -7.553 554 H LEU 68 H LEU 68 5.546 3.878 -4.344 555 HA LEU 68 HA LEU 68 7.276 5.873 -3.170 556 HB2 LEU 68 2HB LEU 68 4.686 4.664 -2.178 557 HB3 LEU 68 3HB LEU 68 5.510 6.012 -1.420 558 HG LEU 68 HG LEU 68 4.294 6.011 -4.189 559 HD11 LEU 68 1HD1 LEU 68 2.616 6.044 -2.421 560 HD12 LEU 68 2HD1 LEU 68 2.693 7.597 -3.252 561 HD13 LEU 68 3HD1 LEU 68 3.429 7.412 -1.657 562 HD21 LEU 68 3HD2 LEU 68 4.812 8.410 -4.196 563 HD22 LEU 68 1HD2 LEU 68 6.272 7.425 -4.116 564 HD23 LEU 68 2HD2 LEU 68 5.669 8.227 -2.665 565 H GLY 69 H GLY 69 6.558 2.480 -2.640 566 HA2 GLY 69 2HA GLY 69 8.654 1.576 -1.312 567 HA3 GLY 69 3HA GLY 69 7.891 2.494 -0.023 568 H ASN 70 H ASN 70 7.799 0.398 1.084 569 HA ASN 70 HA ASN 70 6.126 -1.686 -0.021 570 HB2 ASN 70 2HB ASN 70 7.344 -1.455 2.742 571 HB3 ASN 70 3HB ASN 70 6.634 -2.904 2.036 572 HD21 ASN 70 1HD2 ASN 70 7.773 -2.303 -0.617 573 HD22 ASN 70 2HD2 ASN 70 9.450 -2.687 -0.497 574 H VAL 71 H VAL 71 3.994 -1.749 0.130 575 HA VAL 71 HA VAL 71 2.647 -0.241 2.277 576 HB VAL 71 HB VAL 71 1.558 -0.975 -0.448 577 HG11 VAL 71 1HG1 VAL 71 -0.189 -0.780 1.249 578 HG12 VAL 71 2HG1 VAL 71 -0.278 0.552 0.098 579 HG13 VAL 71 3HG1 VAL 71 0.412 0.815 1.700 580 HG21 VAL 71 3HG2 VAL 71 1.800 1.399 -0.992 581 HG22 VAL 71 1HG2 VAL 71 3.359 0.663 -0.628 582 HG23 VAL 71 2HG2 VAL 71 2.565 1.687 0.570 583 H ARG 72 H ARG 72 1.659 -1.461 3.793 584 HA ARG 72 HA ARG 72 1.159 -4.286 3.284 585 HB2 ARG 72 2HB ARG 72 2.171 -3.700 5.410 586 HB3 ARG 72 3HB ARG 72 0.840 -2.623 5.792 587 HG2 ARG 72 2HG ARG 72 -0.633 -4.370 6.216 588 HG3 ARG 72 3HG ARG 72 0.324 -5.535 5.299 589 HD2 ARG 72 2HD ARG 72 1.364 -4.257 7.815 590 HD3 ARG 72 3HD ARG 72 0.354 -5.703 7.860 591 HE ARG 72 HE ARG 72 2.119 -6.717 6.381 592 HH11 ARG 72 1HH1 ARG 72 2.881 -4.235 8.659 593 HH12 ARG 72 2HH1 ARG 72 4.532 -4.732 8.799 594 HH21 ARG 72 1HH2 ARG 72 4.220 -7.346 6.590 595 HH22 ARG 72 2HH2 ARG 72 5.292 -6.459 7.619 596 H VAL 73 H VAL 73 -0.692 -4.985 2.494 597 HA VAL 73 HA VAL 73 -2.912 -3.279 2.036 598 HB VAL 73 HB VAL 73 -2.775 -6.294 1.784 599 HG11 VAL 73 1HG1 VAL 73 -4.711 -4.290 0.607 600 HG12 VAL 73 2HG1 VAL 73 -5.075 -5.521 1.817 601 HG13 VAL 73 3HG1 VAL 73 -4.639 -6.000 0.177 602 HG21 VAL 73 3HG2 VAL 73 -2.289 -5.886 -0.585 603 HG22 VAL 73 1HG2 VAL 73 -1.045 -5.187 0.451 604 HG23 VAL 73 2HG2 VAL 73 -2.266 -4.148 -0.286 605 H THR 74 H THR 74 -4.197 -2.589 3.632 606 HA THR 74 HA THR 74 -4.935 -4.291 5.883 607 HB THR 74 HB THR 74 -6.228 -2.301 6.658 608 HG1 THR 74 HG1 THR 74 -6.326 -0.487 5.438 609 HG21 THR 74 3HG2 THR 74 -3.887 -2.548 7.338 610 HG22 THR 74 1HG2 THR 74 -4.303 -0.848 7.112 611 HG23 THR 74 2HG2 THR 74 -3.368 -1.698 5.882 612 H SER 75 H SER 75 -6.731 -2.353 3.495 613 HA SER 75 HA SER 75 -9.080 -4.058 3.811 614 HB2 SER 75 2HB SER 75 -8.672 -1.573 2.123 615 HB3 SER 75 3HB SER 75 -10.198 -2.425 2.325 616 HG SER 75 HG SER 75 -8.708 -0.995 4.271 617 H ARG 76 H ARG 76 -9.211 -5.860 2.665 618 HA ARG 76 HA ARG 76 -7.623 -6.626 0.528 619 HB2 ARG 76 2HB ARG 76 -8.820 -8.266 1.795 620 HB3 ARG 76 3HB ARG 76 -10.371 -7.554 1.380 621 HG2 ARG 76 2HG ARG 76 -10.154 -8.278 -0.907 622 HG3 ARG 76 3HG ARG 76 -8.514 -8.856 -0.608 623 HD2 ARG 76 2HD ARG 76 -9.302 -10.609 0.806 624 HD3 ARG 76 3HD ARG 76 -10.930 -9.932 0.845 625 HE ARG 76 HE ARG 76 -11.185 -10.582 -1.461 626 HH11 ARG 76 1HH1 ARG 76 -8.441 -11.927 0.135 627 HH12 ARG 76 2HH1 ARG 76 -8.325 -13.258 -0.960 628 HH21 ARG 76 1HH2 ARG 76 -11.031 -12.298 -2.848 629 HH22 ARG 76 2HH2 ARG 76 -9.779 -13.469 -2.624 630 HA PRO 77 HA PRO 77 -8.784 -4.501 -3.227 631 HB2 PRO 77 2HB PRO 77 -9.034 -6.997 -4.666 632 HB3 PRO 77 3HB PRO 77 -7.727 -5.816 -4.737 633 HG2 PRO 77 2HG PRO 77 -7.920 -8.319 -3.173 634 HG3 PRO 77 3HG PRO 77 -6.479 -7.447 -3.730 635 HD2 PRO 77 2HD PRO 77 -7.185 -7.466 -1.143 636 HD3 PRO 77 3HD PRO 77 -6.490 -6.012 -1.893 637 H GLY 78 H GLY 78 -10.813 -3.671 -3.090 638 HA2 GLY 78 2HA GLY 78 -12.955 -4.530 -4.461 639 HA3 GLY 78 3HA GLY 78 -13.148 -5.411 -2.953 640 H GLN 79 H GLN 79 -12.107 -3.317 -1.262 641 HA GLN 79 HA GLN 79 -14.374 -1.828 -0.645 642 HB2 GLN 79 2HB GLN 79 -11.461 -1.220 -0.087 643 HB3 GLN 79 3HB GLN 79 -12.803 -0.364 0.658 644 HG2 GLN 79 2HG GLN 79 -12.362 -3.335 0.905 645 HG3 GLN 79 3HG GLN 79 -11.781 -2.149 2.070 646 HE21 GLN 79 1HE2 GLN 79 -13.290 -1.032 3.346 647 HE22 GLN 79 2HE2 GLN 79 -14.904 -1.614 3.550 648 H ASP 80 H ASP 80 -15.390 -0.338 -1.840 649 HA ASP 80 HA ASP 80 -15.844 1.389 -3.246 650 HB2 ASP 80 2HB ASP 80 -14.391 2.605 -1.602 651 HB3 ASP 80 3HB ASP 80 -13.017 2.314 -2.660 652 H GLY 81 H GLY 81 -14.284 -1.099 -4.167 653 HA2 GLY 81 2HA GLY 81 -13.665 -1.943 -6.224 654 HA3 GLY 81 3HA GLY 81 -14.029 -0.376 -6.928 655 H VAL 82 H VAL 82 -11.738 -0.917 -4.301 656 HA VAL 82 HA VAL 82 -9.428 -0.779 -6.056 657 HB VAL 82 HB VAL 82 -10.139 1.600 -5.797 658 HG11 VAL 82 1HG1 VAL 82 -9.853 2.717 -3.623 659 HG12 VAL 82 2HG1 VAL 82 -9.545 1.152 -2.871 660 HG13 VAL 82 3HG1 VAL 82 -11.122 1.493 -3.586 661 HG21 VAL 82 3HG2 VAL 82 -7.784 1.066 -6.214 662 HG22 VAL 82 1HG2 VAL 82 -7.494 0.966 -4.478 663 HG23 VAL 82 2HG2 VAL 82 -7.946 2.506 -5.211 664 H ILE 83 H ILE 83 -7.356 -0.861 -4.770 665 HA ILE 83 HA ILE 83 -7.658 -2.492 -2.343 666 HB ILE 83 HB ILE 83 -5.124 -1.888 -3.895 667 HG12 ILE 83 2HG1 ILE 83 -6.891 -4.339 -4.122 668 HG13 ILE 83 3HG1 ILE 83 -6.881 -3.026 -5.291 669 HG21 ILE 83 1HG2 ILE 83 -5.780 -4.050 -1.883 670 HG22 ILE 83 2HG2 ILE 83 -4.734 -2.655 -1.612 671 HG23 ILE 83 3HG2 ILE 83 -4.261 -3.902 -2.766 672 HD11 ILE 83 3HD1 ILE 83 -4.549 -4.810 -4.613 673 HD12 ILE 83 1HD1 ILE 83 -4.535 -3.497 -5.792 674 HD13 ILE 83 2HD1 ILE 83 -5.558 -4.912 -6.054 675 H ASN 84 H ASN 84 -6.663 -1.897 -0.344 676 HA ASN 84 HA ASN 84 -5.498 0.811 -0.197 677 HB2 ASN 84 2HB ASN 84 -7.606 -0.200 1.728 678 HB3 ASN 84 3HB ASN 84 -6.858 1.391 1.723 679 HD21 ASN 84 1HD2 ASN 84 -9.123 -0.706 0.114 680 HD22 ASN 84 2HD2 ASN 84 -9.904 0.526 -0.807 681 H GLY 85 H GLY 85 -3.906 1.099 1.395 682 HA2 GLY 85 2HA GLY 85 -3.429 -0.898 3.436 683 HA3 GLY 85 3HA GLY 85 -2.271 -0.970 2.119 684 H VAL 86 H VAL 86 -1.116 -0.543 4.435 685 HA VAL 86 HA VAL 86 -0.922 2.348 4.964 686 HB VAL 86 HB VAL 86 0.460 0.189 6.555 687 HG11 VAL 86 1HG1 VAL 86 1.203 2.456 6.977 688 HG12 VAL 86 2HG1 VAL 86 0.321 1.836 8.371 689 HG13 VAL 86 3HG1 VAL 86 -0.458 2.974 7.272 690 HG21 VAL 86 3HG2 VAL 86 -1.473 0.197 8.094 691 HG22 VAL 86 1HG2 VAL 86 -1.858 -0.466 6.505 692 HG23 VAL 86 2HG2 VAL 86 -2.372 1.169 6.927 693 H LEU 87 H LEU 87 0.988 3.505 4.791 694 HA LEU 87 HA LEU 87 3.116 2.414 3.167 695 HB2 LEU 87 2HB LEU 87 2.361 4.758 2.951 696 HB3 LEU 87 3HB LEU 87 2.901 5.081 4.584 697 HG LEU 87 HG LEU 87 5.233 4.650 3.902 698 HD11 LEU 87 1HD1 LEU 87 4.083 4.329 1.127 699 HD12 LEU 87 2HD1 LEU 87 4.822 3.059 2.103 700 HD13 LEU 87 3HD1 LEU 87 5.799 4.411 1.532 701 HD21 LEU 87 3HD2 LEU 87 4.360 6.932 3.830 702 HD22 LEU 87 1HD2 LEU 87 3.809 6.680 2.172 703 HD23 LEU 87 2HD2 LEU 87 5.534 6.666 2.543 704 H ILE 88 H ILE 88 4.484 0.992 4.129 705 HA ILE 88 HA ILE 88 5.727 1.794 6.688 706 HB ILE 88 HB ILE 88 5.874 -0.524 7.391 707 HG12 ILE 88 2HG1 ILE 88 4.486 -1.152 4.771 708 HG13 ILE 88 3HG1 ILE 88 6.116 -1.617 5.233 709 HG21 ILE 88 1HG2 ILE 88 3.038 0.101 6.541 710 HG22 ILE 88 2HG2 ILE 88 3.836 0.730 7.983 711 HG23 ILE 88 3HG2 ILE 88 3.528 -1.000 7.831 712 HD11 ILE 88 3HD1 ILE 88 4.613 -3.499 5.389 713 HD12 ILE 88 1HD1 ILE 88 3.565 -2.605 6.492 714 HD13 ILE 88 2HD1 ILE 88 5.197 -3.050 6.991 715 H ARG 89 H ARG 89 7.760 0.210 7.002 716 HA ARG 89 HA ARG 89 9.260 0.133 4.459 717 HB2 ARG 89 2HB ARG 89 10.408 1.082 7.097 718 HB3 ARG 89 3HB ARG 89 11.236 1.032 5.546 719 HG2 ARG 89 2HG ARG 89 8.846 2.758 6.175 720 HG3 ARG 89 3HG ARG 89 10.525 3.302 6.194 721 HD2 ARG 89 2HD ARG 89 10.740 2.863 3.825 722 HD3 ARG 89 3HD ARG 89 9.129 2.144 3.772 723 HE ARG 89 HE ARG 89 8.474 4.542 4.582 724 HH11 ARG 89 1HH1 ARG 89 10.868 3.735 2.233 725 HH12 ARG 89 2HH1 ARG 89 10.640 5.210 1.355 726 HH21 ARG 89 1HH2 ARG 89 8.175 6.396 3.423 727 HH22 ARG 89 2HH2 ARG 89 9.129 6.685 2.007 728 H GLU 90 H GLU 90 8.850 -2.145 4.430 729 HA GLU 90 HA GLU 90 10.049 -3.821 6.479 730 HB2 GLU 90 2HB GLU 90 8.879 -4.555 3.780 731 HB3 GLU 90 3HB GLU 90 9.349 -5.698 5.032 732 HG2 GLU 90 2HG GLU 90 7.213 -3.596 5.364 733 HG3 GLU 90 3HG GLU 90 6.904 -5.263 4.884 734 H LEU 91 H LEU 91 10.726 -2.766 3.221 735 HA LEU 91 HA LEU 91 13.514 -3.706 3.460 736 HB2 LEU 91 2HB LEU 91 11.956 -3.389 0.879 737 HB3 LEU 91 3HB LEU 91 13.560 -4.072 1.067 738 HG LEU 91 HG LEU 91 11.004 -5.319 2.103 739 HD11 LEU 91 1HD1 LEU 91 12.712 -6.082 -0.264 740 HD12 LEU 91 2HD1 LEU 91 11.107 -5.354 -0.333 741 HD13 LEU 91 3HD1 LEU 91 11.312 -6.971 0.336 742 HD21 LEU 91 3HD2 LEU 91 12.917 -5.910 3.485 743 HD22 LEU 91 1HD2 LEU 91 13.832 -6.381 2.052 744 HD23 LEU 91 2HD2 LEU 91 12.401 -7.297 2.527 745 H GLU 92 H GLU 92 15.110 -2.225 2.615 746 HA GLU 92 HA GLU 92 14.304 0.557 2.657 747 HB2 GLU 92 2HB GLU 92 16.469 -0.308 3.614 748 HB3 GLU 92 3HB GLU 92 17.027 -0.581 1.970 749 HG2 GLU 92 2HG GLU 92 16.881 1.796 1.490 750 HG3 GLU 92 3HG GLU 92 16.216 2.101 3.095 751 H HIS 93 H HIS 93 12.795 -0.125 0.767 752 HA HIS 93 HA HIS 93 12.164 -0.182 -1.410 753 HB2 HIS 93 2HB HIS 93 14.556 1.648 -1.659 754 HB3 HIS 93 3HB HIS 93 13.502 1.278 -3.016 755 HD1 HIS 93 HD1 HIS 93 14.005 3.890 -0.811 756 HD2 HIS 93 HD2 HIS 93 10.599 1.811 -1.964 757 HE1 HIS 93 HE1 HIS 93 12.085 5.426 -0.327 758 HE2 HIS 93 HE2 HIS 93 10.066 4.233 -1.226 759 H HIS 94 H HIS 94 14.590 -1.957 -0.366 760 HA HIS 94 HA HIS 94 15.852 -2.739 -2.835 761 HB2 HIS 94 2HB HIS 94 17.058 -2.818 -0.666 762 HB3 HIS 94 3HB HIS 94 15.967 -4.091 -0.127 763 HD1 HIS 94 HD1 HIS 94 16.425 -6.452 -0.936 764 HD2 HIS 94 HD2 HIS 94 18.896 -3.620 -2.708 765 HE1 HIS 94 HE1 HIS 94 18.167 -7.762 -2.184 766 HE2 HIS 94 HE2 HIS 94 19.710 -6.029 -3.155 767 H HIS 95 H HIS 95 13.658 -3.069 -3.778 768 HA HIS 95 HA HIS 95 11.912 -5.120 -3.132 769 HB2 HIS 95 2HB HIS 95 11.300 -5.036 -5.604 770 HB3 HIS 95 3HB HIS 95 11.216 -3.516 -4.725 771 HD1 HIS 95 HD1 HIS 95 12.989 -1.694 -5.311 772 HD2 HIS 95 HD2 HIS 95 13.213 -5.125 -7.650 773 HE1 HIS 95 HE1 HIS 95 14.435 -1.087 -7.266 774 HE2 HIS 95 HE2 HIS 95 14.737 -3.235 -8.530 775 H HIS 96 H HIS 96 12.041 -7.280 -3.172 776 HA HIS 96 HA HIS 96 14.380 -8.657 -3.962 777 HB2 HIS 96 2HB HIS 96 11.609 -9.713 -3.354 778 HB3 HIS 96 3HB HIS 96 13.039 -10.723 -3.543 779 HD1 HIS 96 HD1 HIS 96 11.839 -11.119 -0.936 780 HD2 HIS 96 HD2 HIS 96 14.389 -7.904 -1.596 781 HE1 HIS 96 HE1 HIS 96 12.646 -10.422 1.331 782 HE2 HIS 96 HE2 HIS 96 14.315 -8.601 0.893 783 H HIS 97 H HIS 97 14.846 -9.915 -5.747 784 HA HIS 97 HA HIS 97 13.016 -9.737 -8.040 785 HB2 HIS 97 2HB HIS 97 14.444 -7.821 -8.303 786 HB3 HIS 97 3HB HIS 97 15.884 -8.777 -7.974 787 HD1 HIS 97 HD1 HIS 97 17.038 -9.784 -9.933 788 HD2 HIS 97 HD2 HIS 97 13.202 -8.499 -10.866 789 HE1 HIS 97 HE1 HIS 97 16.831 -10.035 -12.414 790 HE2 HIS 97 HE2 HIS 97 14.434 -9.489 -12.910 791 H HIS 98 H HIS 98 12.936 -11.514 -9.258 792 HA HIS 98 HA HIS 98 14.414 -13.866 -8.615 793 HB2 HIS 98 2HB HIS 98 12.146 -14.049 -9.447 794 HB3 HIS 98 3HB HIS 98 12.576 -13.217 -10.937 795 HD1 HIS 98 HD1 HIS 98 13.821 -14.569 -12.743 796 HD2 HIS 98 HD2 HIS 98 12.870 -16.773 -9.348 797 HE1 HIS 98 HE1 HIS 98 14.196 -16.971 -13.373 798 HE2 HIS 98 HE2 HIS 98 13.700 -18.281 -11.283 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 17.369 33.275 -21.616 2 H2 GLY 1 2H GLY 1 18.915 32.637 -21.858 3 H3 GLY 1 3H GLY 1 18.322 32.845 -20.287 4 HA2 GLY 1 2HA GLY 1 17.241 30.966 -22.313 5 HA3 GLY 1 3HA GLY 1 18.243 30.515 -20.943 6 H ASP 2 H ASP 2 16.122 29.114 -20.843 7 HA ASP 2 HA ASP 2 14.481 30.288 -18.750 8 HB2 ASP 2 2HB ASP 2 12.356 29.808 -19.861 9 HB3 ASP 2 3HB ASP 2 13.310 30.935 -20.823 10 H ARG 3 H ARG 3 13.467 28.780 -17.426 11 HA ARG 3 HA ARG 3 13.590 25.958 -18.127 12 HB2 ARG 3 2HB ARG 3 14.677 25.293 -16.016 13 HB3 ARG 3 3HB ARG 3 15.730 26.261 -17.029 14 HG2 ARG 3 2HG ARG 3 14.210 27.328 -14.650 15 HG3 ARG 3 3HG ARG 3 15.880 26.769 -14.602 16 HD2 ARG 3 2HD ARG 3 14.799 29.085 -16.211 17 HD3 ARG 3 3HD ARG 3 15.813 29.187 -14.772 18 HE ARG 3 HE ARG 3 17.098 27.666 -16.790 19 HH11 ARG 3 1HH1 ARG 3 16.324 30.910 -15.922 20 HH12 ARG 3 2HH1 ARG 3 17.641 31.579 -16.822 21 HH21 ARG 3 1HH2 ARG 3 18.782 28.538 -17.926 22 HH22 ARG 3 2HH2 ARG 3 19.010 30.254 -17.946 23 H ARG 4 H ARG 4 11.323 26.225 -18.234 24 HA ARG 4 HA ARG 4 9.884 26.915 -15.808 25 HB2 ARG 4 2HB ARG 4 7.857 26.260 -17.370 26 HB3 ARG 4 3HB ARG 4 8.679 27.799 -17.532 27 HG2 ARG 4 2HG ARG 4 8.374 27.039 -19.720 28 HG3 ARG 4 3HG ARG 4 10.065 26.708 -19.368 29 HD2 ARG 4 2HD ARG 4 9.518 24.360 -18.938 30 HD3 ARG 4 3HD ARG 4 7.814 24.695 -19.255 31 HE ARG 4 HE ARG 4 9.761 25.250 -21.369 32 HH11 ARG 4 1HH1 ARG 4 7.194 23.292 -20.164 33 HH12 ARG 4 2HH1 ARG 4 6.911 22.538 -21.693 34 HH21 ARG 4 1HH2 ARG 4 9.382 24.278 -23.327 35 HH22 ARG 4 2HH2 ARG 4 8.135 23.088 -23.460 36 H VAL 5 H VAL 5 10.428 25.316 -14.385 37 HA VAL 5 HA VAL 5 10.226 22.525 -15.018 38 HB VAL 5 HB VAL 5 10.738 22.181 -12.596 39 HG11 VAL 5 1HG1 VAL 5 12.548 24.131 -14.037 40 HG12 VAL 5 2HG1 VAL 5 12.529 22.381 -14.253 41 HG13 VAL 5 3HG1 VAL 5 13.016 23.072 -12.706 42 HG21 VAL 5 3HG2 VAL 5 10.803 25.209 -12.494 43 HG22 VAL 5 1HG2 VAL 5 11.308 24.118 -11.203 44 HG23 VAL 5 2HG2 VAL 5 9.617 24.177 -11.695 45 H ARG 6 H ARG 6 7.774 23.269 -15.657 46 HA ARG 6 HA ARG 6 5.934 22.980 -13.430 47 HB2 ARG 6 2HB ARG 6 5.346 23.042 -16.401 48 HB3 ARG 6 3HB ARG 6 4.164 23.180 -15.109 49 HG2 ARG 6 2HG ARG 6 6.353 25.164 -15.724 50 HG3 ARG 6 3HG ARG 6 4.646 25.342 -16.126 51 HD2 ARG 6 2HD ARG 6 4.178 25.157 -13.635 52 HD3 ARG 6 3HD ARG 6 5.919 25.318 -13.390 53 HE ARG 6 HE ARG 6 4.408 27.368 -14.862 54 HH11 ARG 6 1HH1 ARG 6 6.435 26.505 -12.199 55 HH12 ARG 6 2HH1 ARG 6 6.727 28.154 -11.766 56 HH21 ARG 6 1HH2 ARG 6 4.775 29.451 -14.275 57 HH22 ARG 6 2HH2 ARG 6 5.804 29.802 -12.927 58 H LEU 7 H LEU 7 7.066 20.828 -12.948 59 HA LEU 7 HA LEU 7 6.387 18.566 -14.588 60 HB2 LEU 7 2HB LEU 7 8.403 18.737 -13.101 61 HB3 LEU 7 3HB LEU 7 7.342 18.605 -11.716 62 HG LEU 7 HG LEU 7 7.457 16.433 -13.813 63 HD11 LEU 7 1HD1 LEU 7 9.096 15.265 -12.431 64 HD12 LEU 7 2HD1 LEU 7 9.198 16.659 -11.351 65 HD13 LEU 7 3HD1 LEU 7 9.744 16.795 -13.025 66 HD21 LEU 7 3HD2 LEU 7 6.712 15.006 -11.954 67 HD22 LEU 7 1HD2 LEU 7 5.579 16.324 -12.259 68 HD23 LEU 7 2HD2 LEU 7 6.683 16.413 -10.888 69 H ILE 8 H ILE 8 5.072 20.075 -11.700 70 HA ILE 8 HA ILE 8 3.361 18.022 -10.866 71 HB ILE 8 HB ILE 8 4.000 19.909 -9.440 72 HG12 ILE 8 2HG1 ILE 8 1.790 18.567 -9.121 73 HG13 ILE 8 3HG1 ILE 8 2.037 20.027 -8.179 74 HG21 ILE 8 1HG2 ILE 8 2.190 21.578 -11.186 75 HG22 ILE 8 2HG2 ILE 8 3.943 21.713 -11.051 76 HG23 ILE 8 3HG2 ILE 8 2.920 22.107 -9.669 77 HD11 ILE 8 3HD1 ILE 8 -0.238 19.881 -8.993 78 HD12 ILE 8 1HD1 ILE 8 0.338 19.790 -10.656 79 HD13 ILE 8 2HD1 ILE 8 0.588 21.261 -9.715 80 H ARG 9 H ARG 9 1.557 17.233 -11.671 81 HA ARG 9 HA ARG 9 -0.134 18.893 -13.434 82 HB2 ARG 9 2HB ARG 9 0.416 15.916 -13.605 83 HB3 ARG 9 3HB ARG 9 -0.830 16.740 -14.534 84 HG2 ARG 9 2HG ARG 9 0.896 18.105 -15.625 85 HG3 ARG 9 3HG ARG 9 2.138 17.257 -14.701 86 HD2 ARG 9 2HD ARG 9 0.203 15.892 -16.579 87 HD3 ARG 9 3HD ARG 9 1.819 16.417 -17.045 88 HE ARG 9 HE ARG 9 2.636 14.862 -15.265 89 HH11 ARG 9 1HH1 ARG 9 -0.446 14.336 -16.717 90 HH12 ARG 9 2HH1 ARG 9 -0.386 12.627 -16.482 91 HH21 ARG 9 1HH2 ARG 9 2.711 12.652 -15.000 92 HH22 ARG 9 2HH2 ARG 9 1.381 11.683 -15.547 93 H THR 10 H THR 10 -2.459 17.935 -13.524 94 HA THR 10 HA THR 10 -3.642 17.953 -10.989 95 HB THR 10 HB THR 10 -4.998 18.443 -12.922 96 HG1 THR 10 HG1 THR 10 -6.723 16.760 -12.513 97 HG21 THR 10 3HG2 THR 10 -4.620 15.554 -13.742 98 HG22 THR 10 1HG2 THR 10 -3.910 16.952 -14.547 99 HG23 THR 10 2HG2 THR 10 -5.658 16.729 -14.546 100 H ARG 11 H ARG 11 -4.498 16.357 -9.653 101 HA ARG 11 HA ARG 11 -3.286 13.693 -9.918 102 HB2 ARG 11 2HB ARG 11 -3.031 14.971 -7.794 103 HB3 ARG 11 3HB ARG 11 -4.776 14.932 -7.585 104 HG2 ARG 11 2HG ARG 11 -4.637 12.435 -7.536 105 HG3 ARG 11 3HG ARG 11 -2.879 12.590 -7.551 106 HD2 ARG 11 2HD ARG 11 -3.681 12.293 -5.272 107 HD3 ARG 11 3HD ARG 11 -2.987 13.903 -5.470 108 HE ARG 11 HE ARG 11 -5.869 13.671 -5.797 109 HH11 ARG 11 1HH1 ARG 11 -3.240 14.524 -3.731 110 HH12 ARG 11 2HH1 ARG 11 -4.248 15.441 -2.671 111 HH21 ARG 11 1HH2 ARG 11 -7.135 14.838 -4.434 112 HH22 ARG 11 2HH2 ARG 11 -6.432 15.616 -3.057 113 H GLY 12 H GLY 12 -6.284 15.331 -10.213 114 HA2 GLY 12 2HA GLY 12 -7.893 13.712 -11.483 115 HA3 GLY 12 3HA GLY 12 -7.893 12.884 -9.930 116 H GLY 13 H GLY 13 -10.115 13.252 -9.586 117 HA2 GLY 13 2HA GLY 13 -10.692 15.692 -8.205 118 HA3 GLY 13 3HA GLY 13 -11.503 15.639 -9.763 119 H ASN 14 H ASN 14 -12.894 13.730 -10.178 120 HA ASN 14 HA ASN 14 -14.430 13.019 -7.809 121 HB2 ASN 14 2HB ASN 14 -14.888 12.250 -10.705 122 HB3 ASN 14 3HB ASN 14 -16.031 12.044 -9.380 123 HD21 ASN 14 1HD2 ASN 14 -15.276 14.681 -8.226 124 HD22 ASN 14 2HD2 ASN 14 -16.044 15.846 -9.242 125 H THR 15 H THR 15 -15.350 10.503 -8.248 126 HA THR 15 HA THR 15 -13.143 8.850 -7.528 127 HB THR 15 HB THR 15 -15.953 8.027 -8.310 128 HG1 THR 15 HG1 THR 15 -16.445 8.319 -6.226 129 HG21 THR 15 3HG2 THR 15 -15.432 5.946 -7.049 130 HG22 THR 15 1HG2 THR 15 -13.754 6.476 -6.919 131 HG23 THR 15 2HG2 THR 15 -14.449 6.124 -8.501 132 H LYS 16 H LYS 16 -11.627 8.321 -8.945 133 HA LYS 16 HA LYS 16 -11.966 8.276 -11.753 134 HB2 LYS 16 2HB LYS 16 -9.674 7.515 -11.882 135 HB3 LYS 16 3HB LYS 16 -9.799 8.757 -10.647 136 HG2 LYS 16 2HG LYS 16 -9.840 5.819 -9.974 137 HG3 LYS 16 3HG LYS 16 -8.341 6.731 -10.133 138 HD2 LYS 16 2HD LYS 16 -10.583 7.435 -8.231 139 HD3 LYS 16 3HD LYS 16 -9.139 6.525 -7.784 140 HE2 LYS 16 2HE LYS 16 -7.743 8.444 -8.447 141 HE3 LYS 16 3HE LYS 16 -9.199 9.350 -8.861 142 HZ1 LYS 16 3HZ LYS 16 -8.306 9.889 -6.647 143 HZ2 LYS 16 1HZ LYS 16 -8.601 8.298 -6.148 144 HZ3 LYS 16 2HZ LYS 16 -9.886 9.301 -6.585 145 H VAL 17 H VAL 17 -11.239 6.337 -13.100 146 HA VAL 17 HA VAL 17 -13.073 4.209 -12.755 147 HB VAL 17 HB VAL 17 -12.276 4.947 -14.963 148 HG11 VAL 17 1HG1 VAL 17 -9.947 5.414 -14.451 149 HG12 VAL 17 2HG1 VAL 17 -10.049 4.263 -15.783 150 HG13 VAL 17 3HG1 VAL 17 -9.638 3.700 -14.163 151 HG21 VAL 17 3HG2 VAL 17 -11.650 2.043 -14.398 152 HG22 VAL 17 1HG2 VAL 17 -11.986 2.739 -15.984 153 HG23 VAL 17 2HG2 VAL 17 -13.243 2.715 -14.748 154 H ARG 18 H ARG 18 -12.783 2.054 -12.195 155 HA ARG 18 HA ARG 18 -10.986 1.412 -10.162 156 HB2 ARG 18 2HB ARG 18 -11.653 -1.037 -10.806 157 HB3 ARG 18 3HB ARG 18 -12.842 0.058 -10.127 158 HG2 ARG 18 2HG ARG 18 -13.774 -1.236 -11.959 159 HG3 ARG 18 3HG ARG 18 -13.751 0.481 -12.348 160 HD2 ARG 18 2HD ARG 18 -13.093 -0.852 -14.277 161 HD3 ARG 18 3HD ARG 18 -11.753 0.144 -13.722 162 HE ARG 18 HE ARG 18 -10.601 -1.765 -13.115 163 HH11 ARG 18 1HH1 ARG 18 -13.833 -2.601 -13.957 164 HH12 ARG 18 2HH1 ARG 18 -13.466 -4.280 -14.148 165 HH21 ARG 18 1HH2 ARG 18 -10.129 -3.923 -13.391 166 HH22 ARG 18 2HH2 ARG 18 -11.391 -5.015 -13.859 167 H LEU 19 H LEU 19 -9.500 -0.543 -10.179 168 HA LEU 19 HA LEU 19 -7.256 -0.007 -11.778 169 HB2 LEU 19 2HB LEU 19 -7.373 -1.184 -9.521 170 HB3 LEU 19 3HB LEU 19 -7.829 -2.630 -10.393 171 HG LEU 19 HG LEU 19 -5.227 -1.170 -10.909 172 HD11 LEU 19 1HD1 LEU 19 -4.141 -2.825 -9.484 173 HD12 LEU 19 2HD1 LEU 19 -5.711 -3.511 -9.063 174 HD13 LEU 19 3HD1 LEU 19 -5.304 -1.869 -8.565 175 HD21 LEU 19 3HD2 LEU 19 -4.518 -3.327 -11.855 176 HD22 LEU 19 1HD2 LEU 19 -5.915 -2.673 -12.706 177 HD23 LEU 19 2HD2 LEU 19 -6.124 -3.988 -11.551 178 H ALA 20 H ALA 20 -6.933 -0.414 -13.863 179 HA ALA 20 HA ALA 20 -7.665 -2.982 -15.020 180 HB1 ALA 20 3HB ALA 20 -8.857 -2.002 -16.923 181 HB2 ALA 20 1HB ALA 20 -8.710 -0.400 -16.197 182 HB3 ALA 20 2HB ALA 20 -9.677 -1.644 -15.401 183 H SER 21 H SER 21 -6.600 0.274 -16.070 184 HA SER 21 HA SER 21 -4.671 -0.851 -17.912 185 HB2 SER 21 2HB SER 21 -5.112 2.041 -17.112 186 HB3 SER 21 3HB SER 21 -4.125 1.483 -18.463 187 HG SER 21 HG SER 21 -5.950 1.752 -19.503 188 H ASP 22 H ASP 22 -4.453 1.144 -14.953 189 HA ASP 22 HA ASP 22 -1.613 0.356 -14.712 190 HB2 ASP 22 2HB ASP 22 -2.999 2.687 -13.363 191 HB3 ASP 22 3HB ASP 22 -1.274 2.339 -13.360 192 H THR 23 H THR 23 -0.928 -0.735 -12.907 193 HA THR 23 HA THR 23 -2.896 -1.680 -10.995 194 HB THR 23 HB THR 23 0.114 -2.097 -10.948 195 HG1 THR 23 HG1 THR 23 -1.214 -4.270 -11.779 196 HG21 THR 23 3HG2 THR 23 -1.061 -2.604 -8.829 197 HG22 THR 23 1HG2 THR 23 -0.392 -4.050 -9.584 198 HG23 THR 23 2HG2 THR 23 -2.120 -3.712 -9.700 199 H ARG 24 H ARG 24 -3.491 -0.435 -9.278 200 HA ARG 24 HA ARG 24 -1.481 1.329 -8.033 201 HB2 ARG 24 2HB ARG 24 -4.302 2.170 -8.751 202 HB3 ARG 24 3HB ARG 24 -3.101 3.165 -7.938 203 HG2 ARG 24 2HG ARG 24 -1.680 3.049 -9.958 204 HG3 ARG 24 3HG ARG 24 -2.947 2.123 -10.764 205 HD2 ARG 24 2HD ARG 24 -4.497 4.033 -10.433 206 HD3 ARG 24 3HD ARG 24 -3.167 4.959 -9.733 207 HE ARG 24 HE ARG 24 -3.526 4.245 -12.533 208 HH11 ARG 24 1HH1 ARG 24 -1.519 5.684 -10.125 209 HH12 ARG 24 2HH1 ARG 24 -0.536 6.501 -11.290 210 HH21 ARG 24 1HH2 ARG 24 -2.248 5.291 -14.007 211 HH22 ARG 24 2HH2 ARG 24 -0.943 6.284 -13.454 212 H ILE 25 H ILE 25 -2.221 2.230 -5.912 213 HA ILE 25 HA ILE 25 -4.236 0.693 -4.479 214 HB ILE 25 HB ILE 25 -2.327 -0.768 -4.243 215 HG12 ILE 25 2HG1 ILE 25 -2.703 0.804 -1.672 216 HG13 ILE 25 3HG1 ILE 25 -3.800 -0.440 -2.263 217 HG21 ILE 25 1HG2 ILE 25 -0.217 -0.027 -3.213 218 HG22 ILE 25 2HG2 ILE 25 -0.818 1.631 -3.193 219 HG23 ILE 25 3HG2 ILE 25 -0.540 0.813 -4.731 220 HD11 ILE 25 3HD1 ILE 25 -2.360 -1.315 -0.539 221 HD12 ILE 25 1HD1 ILE 25 -0.930 -0.842 -1.458 222 HD13 ILE 25 2HD1 ILE 25 -2.007 -2.091 -2.083 223 H ASN 26 H ASN 26 -5.256 1.966 -3.023 224 HA ASN 26 HA ASN 26 -4.373 4.628 -2.453 225 HB2 ASN 26 2HB ASN 26 -6.589 2.970 -1.206 226 HB3 ASN 26 3HB ASN 26 -6.324 4.685 -0.892 227 HD21 ASN 26 1HD2 ASN 26 -8.338 5.250 -1.722 228 HD22 ASN 26 2HD2 ASN 26 -8.672 5.215 -3.414 229 H VAL 27 H VAL 27 -2.600 4.897 -1.254 230 HA VAL 27 HA VAL 27 -1.979 3.053 0.934 231 HB VAL 27 HB VAL 27 -0.256 5.221 -0.287 232 HG11 VAL 27 1HG1 VAL 27 0.461 4.685 1.958 233 HG12 VAL 27 2HG1 VAL 27 1.603 4.001 0.803 234 HG13 VAL 27 3HG1 VAL 27 0.423 2.959 1.598 235 HG21 VAL 27 3HG2 VAL 27 0.901 3.353 -1.431 236 HG22 VAL 27 1HG2 VAL 27 -0.772 3.547 -1.954 237 HG23 VAL 27 2HG2 VAL 27 -0.342 2.253 -0.839 238 H VAL 28 H VAL 28 -2.264 3.577 3.001 239 HA VAL 28 HA VAL 28 -2.745 6.365 3.783 240 HB VAL 28 HB VAL 28 -3.082 3.846 5.436 241 HG11 VAL 28 1HG1 VAL 28 -4.436 5.276 6.911 242 HG12 VAL 28 2HG1 VAL 28 -4.047 6.672 5.904 243 HG13 VAL 28 3HG1 VAL 28 -2.769 5.844 6.792 244 HG21 VAL 28 3HG2 VAL 28 -4.592 3.798 3.525 245 HG22 VAL 28 1HG2 VAL 28 -5.158 5.425 3.907 246 HG23 VAL 28 2HG2 VAL 28 -5.491 4.091 5.012 247 H ASP 29 H ASP 29 -0.993 7.463 4.417 248 HA ASP 29 HA ASP 29 1.400 6.202 5.366 249 HB2 ASP 29 2HB ASP 29 1.688 8.152 4.059 250 HB3 ASP 29 3HB ASP 29 0.534 9.069 5.022 251 HA PRO 30 HA PRO 30 0.123 6.313 9.680 252 HB2 PRO 30 2HB PRO 30 2.142 4.911 10.710 253 HB3 PRO 30 3HB PRO 30 0.978 4.142 9.621 254 HG2 PRO 30 2HG PRO 30 3.732 5.175 9.021 255 HG3 PRO 30 3HG PRO 30 2.977 3.649 8.520 256 HD2 PRO 30 2HD PRO 30 3.119 5.904 6.933 257 HD3 PRO 30 3HD PRO 30 1.897 4.629 6.752 258 H GLU 31 H GLU 31 2.851 7.882 8.338 259 HA GLU 31 HA GLU 31 4.038 8.832 10.772 260 HB2 GLU 31 2HB GLU 31 4.320 9.752 7.905 261 HB3 GLU 31 3HB GLU 31 5.267 10.396 9.238 262 HG2 GLU 31 2HG GLU 31 5.261 7.519 8.337 263 HG3 GLU 31 3HG GLU 31 6.485 8.718 7.925 264 H THR 32 H THR 32 1.847 10.252 8.363 265 HA THR 32 HA THR 32 1.220 12.404 10.298 266 HB THR 32 HB THR 32 0.856 13.970 8.526 267 HG1 THR 32 HG1 THR 32 0.341 13.317 6.588 268 HG21 THR 32 3HG2 THR 32 3.400 12.445 7.926 269 HG22 THR 32 1HG2 THR 32 3.206 13.665 9.185 270 HG23 THR 32 2HG2 THR 32 3.067 14.121 7.488 271 H GLY 33 H GLY 33 -0.016 10.094 7.973 272 HA2 GLY 33 2HA GLY 33 -2.216 9.133 8.346 273 HA3 GLY 33 3HA GLY 33 -2.769 10.713 8.875 274 H LYS 34 H LYS 34 -0.796 11.144 6.232 275 HA LYS 34 HA LYS 34 -2.959 11.943 4.543 276 HB2 LYS 34 2HB LYS 34 -1.153 12.424 2.883 277 HB3 LYS 34 3HB LYS 34 -0.895 13.172 4.453 278 HG2 LYS 34 2HG LYS 34 0.712 11.427 5.040 279 HG3 LYS 34 3HG LYS 34 0.436 10.641 3.486 280 HD2 LYS 34 2HD LYS 34 1.346 12.550 2.309 281 HD3 LYS 34 3HD LYS 34 1.496 13.452 3.819 282 HE2 LYS 34 2HE LYS 34 2.948 10.870 3.217 283 HE3 LYS 34 3HE LYS 34 3.643 12.478 3.009 284 HZ1 LYS 34 3HZ LYS 34 3.364 12.878 5.362 285 HZ2 LYS 34 1HZ LYS 34 4.279 11.477 5.119 286 HZ3 LYS 34 2HZ LYS 34 2.655 11.358 5.579 287 H VAL 35 H VAL 35 -3.740 11.040 2.644 288 HA VAL 35 HA VAL 35 -2.928 8.250 2.095 289 HB VAL 35 HB VAL 35 -5.634 9.520 1.590 290 HG11 VAL 35 1HG1 VAL 35 -4.709 6.655 1.281 291 HG12 VAL 35 2HG1 VAL 35 -5.114 7.765 -0.028 292 HG13 VAL 35 3HG1 VAL 35 -6.369 7.225 1.086 293 HG21 VAL 35 3HG2 VAL 35 -6.430 8.074 3.418 294 HG22 VAL 35 1HG2 VAL 35 -5.224 9.231 3.978 295 HG23 VAL 35 2HG2 VAL 35 -4.774 7.546 3.716 296 H GLU 36 H GLU 36 -2.149 7.782 0.132 297 HA GLU 36 HA GLU 36 -2.796 9.492 -2.172 298 HB2 GLU 36 2HB GLU 36 -0.671 10.346 -1.302 299 HB3 GLU 36 3HB GLU 36 0.016 8.729 -1.333 300 HG2 GLU 36 2HG GLU 36 0.848 9.979 -3.206 301 HG3 GLU 36 3HG GLU 36 -0.215 8.703 -3.792 302 H ILE 37 H ILE 37 -2.703 8.417 -4.186 303 HA ILE 37 HA ILE 37 -2.958 5.519 -3.963 304 HB ILE 37 HB ILE 37 -3.488 7.322 -6.339 305 HG12 ILE 37 2HG1 ILE 37 -5.393 6.039 -4.354 306 HG13 ILE 37 3HG1 ILE 37 -4.986 7.751 -4.423 307 HG21 ILE 37 1HG2 ILE 37 -4.146 4.403 -5.906 308 HG22 ILE 37 2HG2 ILE 37 -2.974 5.052 -7.050 309 HG23 ILE 37 3HG2 ILE 37 -4.693 5.379 -7.269 310 HD11 ILE 37 3HD1 ILE 37 -6.443 6.171 -6.529 311 HD12 ILE 37 1HD1 ILE 37 -5.983 7.868 -6.668 312 HD13 ILE 37 2HD1 ILE 37 -7.135 7.367 -5.430 313 H ALA 38 H ALA 38 -1.040 4.498 -3.971 314 HA ALA 38 HA ALA 38 1.170 5.420 -5.618 315 HB1 ALA 38 3HB ALA 38 1.592 4.715 -3.326 316 HB2 ALA 38 1HB ALA 38 2.464 3.691 -4.465 317 HB3 ALA 38 2HB ALA 38 0.990 3.100 -3.695 318 H GLU 39 H GLU 39 2.450 3.818 -6.863 319 HA GLU 39 HA GLU 39 0.695 2.100 -8.490 320 HB2 GLU 39 2HB GLU 39 3.437 3.230 -9.118 321 HB3 GLU 39 3HB GLU 39 2.430 2.301 -10.225 322 HG2 GLU 39 2HG GLU 39 0.760 4.058 -10.230 323 HG3 GLU 39 3HG GLU 39 1.683 4.974 -9.039 324 H ILE 40 H ILE 40 0.905 -0.063 -8.375 325 HA ILE 40 HA ILE 40 2.852 -1.174 -6.533 326 HB ILE 40 HB ILE 40 0.620 -2.521 -8.061 327 HG12 ILE 40 2HG1 ILE 40 0.773 -1.643 -5.161 328 HG13 ILE 40 3HG1 ILE 40 -0.156 -0.840 -6.421 329 HG21 ILE 40 1HG2 ILE 40 0.932 -4.387 -6.472 330 HG22 ILE 40 2HG2 ILE 40 2.355 -3.575 -5.821 331 HG23 ILE 40 3HG2 ILE 40 2.344 -4.131 -7.496 332 HD11 ILE 40 3HD1 ILE 40 -1.527 -2.851 -6.674 333 HD12 ILE 40 1HD1 ILE 40 -1.585 -2.207 -5.036 334 HD13 ILE 40 2HD1 ILE 40 -0.606 -3.630 -5.386 335 H ARG 41 H ARG 41 4.825 -1.721 -7.233 336 HA ARG 41 HA ARG 41 5.327 -2.718 -9.904 337 HB2 ARG 41 2HB ARG 41 7.192 -2.670 -7.518 338 HB3 ARG 41 3HB ARG 41 7.651 -2.901 -9.199 339 HG2 ARG 41 2HG ARG 41 6.962 -0.609 -9.709 340 HG3 ARG 41 3HG ARG 41 6.477 -0.380 -8.025 341 HD2 ARG 41 2HD ARG 41 8.815 -0.871 -7.336 342 HD3 ARG 41 3HD ARG 41 9.264 -0.954 -9.039 343 HE ARG 41 HE ARG 41 8.523 1.432 -9.158 344 HH11 ARG 41 1HH1 ARG 41 9.534 0.051 -6.168 345 HH12 ARG 41 2HH1 ARG 41 10.065 1.561 -5.519 346 HH21 ARG 41 1HH2 ARG 41 9.221 3.365 -8.324 347 HH22 ARG 41 2HH2 ARG 41 9.898 3.417 -6.732 348 H ASN 42 H ASN 42 5.556 -4.081 -6.591 349 HA ASN 42 HA ASN 42 5.400 -6.799 -7.744 350 HB2 ASN 42 2HB ASN 42 7.278 -5.971 -5.514 351 HB3 ASN 42 3HB ASN 42 7.090 -7.598 -6.161 352 HD21 ASN 42 1HD2 ASN 42 8.456 -4.479 -6.644 353 HD22 ASN 42 2HD2 ASN 42 9.416 -4.886 -8.020 354 H VAL 43 H VAL 43 4.972 -8.488 -6.040 355 HA VAL 43 HA VAL 43 3.330 -7.518 -3.808 356 HB VAL 43 HB VAL 43 1.664 -9.344 -4.275 357 HG11 VAL 43 1HG1 VAL 43 1.961 -7.218 -6.399 358 HG12 VAL 43 2HG1 VAL 43 1.160 -7.036 -4.839 359 HG13 VAL 43 3HG1 VAL 43 0.486 -8.122 -6.056 360 HG21 VAL 43 3HG2 VAL 43 1.549 -10.290 -6.536 361 HG22 VAL 43 1HG2 VAL 43 3.050 -10.753 -5.732 362 HG23 VAL 43 2HG2 VAL 43 3.060 -9.483 -6.957 363 H VAL 44 H VAL 44 4.687 -8.125 -2.208 364 HA VAL 44 HA VAL 44 5.324 -10.981 -1.884 365 HB VAL 44 HB VAL 44 7.223 -9.794 -3.048 366 HG11 VAL 44 1HG1 VAL 44 8.670 -8.300 -1.736 367 HG12 VAL 44 2HG1 VAL 44 7.495 -8.328 -0.422 368 HG13 VAL 44 3HG1 VAL 44 7.060 -7.626 -1.978 369 HG21 VAL 44 3HG2 VAL 44 7.546 -11.865 -1.674 370 HG22 VAL 44 1HG2 VAL 44 8.035 -10.834 -0.330 371 HG23 VAL 44 2HG2 VAL 44 8.979 -10.850 -1.816 372 H GLU 45 H GLU 45 6.498 -11.215 0.435 373 HA GLU 45 HA GLU 45 5.615 -9.136 2.305 374 HB2 GLU 45 2HB GLU 45 4.826 -10.847 3.910 375 HB3 GLU 45 3HB GLU 45 3.879 -10.824 2.429 376 HG2 GLU 45 2HG GLU 45 5.087 -12.784 1.614 377 HG3 GLU 45 3HG GLU 45 6.052 -12.805 3.089 378 H ASN 46 H ASN 46 6.604 -9.537 4.552 379 HA ASN 46 HA ASN 46 9.405 -9.506 4.284 380 HB2 ASN 46 2HB ASN 46 9.378 -9.531 6.832 381 HB3 ASN 46 3HB ASN 46 8.483 -8.233 6.051 382 HD21 ASN 46 1HD2 ASN 46 6.241 -8.252 6.110 383 HD22 ASN 46 2HD2 ASN 46 5.360 -9.243 7.219 384 H THR 47 H THR 47 10.027 -11.460 3.293 385 HA THR 47 HA THR 47 10.324 -13.689 5.200 386 HB THR 47 HB THR 47 8.512 -14.292 3.632 387 HG1 THR 47 HG1 THR 47 9.273 -16.311 3.362 388 HG21 THR 47 3HG2 THR 47 10.636 -14.059 1.487 389 HG22 THR 47 1HG2 THR 47 9.248 -12.988 1.681 390 HG23 THR 47 2HG2 THR 47 9.002 -14.684 1.261 391 H ALA 48 H ALA 48 12.120 -15.140 4.714 392 HA ALA 48 HA ALA 48 14.411 -13.725 3.612 393 HB1 ALA 48 3HB ALA 48 15.724 -15.579 4.523 394 HB2 ALA 48 1HB ALA 48 14.238 -16.437 4.936 395 HB3 ALA 48 2HB ALA 48 14.629 -14.917 5.739 396 H ASN 49 H ASN 49 15.181 -14.009 1.597 397 HA ASN 49 HA ASN 49 15.422 -14.744 -0.538 398 HB2 ASN 49 2HB ASN 49 14.688 -17.459 0.589 399 HB3 ASN 49 3HB ASN 49 15.416 -17.165 -0.986 400 HD21 ASN 49 1HD2 ASN 49 16.399 -18.728 1.267 401 HD22 ASN 49 2HD2 ASN 49 17.941 -18.061 1.669 402 HA PRO 50 HA PRO 50 10.947 -14.166 -1.190 403 HB2 PRO 50 2HB PRO 50 11.140 -12.465 -3.279 404 HB3 PRO 50 3HB PRO 50 11.451 -11.960 -1.614 405 HG2 PRO 50 2HG PRO 50 13.409 -12.711 -3.761 406 HG3 PRO 50 3HG PRO 50 13.457 -11.340 -2.636 407 HD2 PRO 50 2HD PRO 50 14.880 -13.625 -2.238 408 HD3 PRO 50 3HD PRO 50 14.267 -12.630 -0.901 409 H HIS 51 H HIS 51 12.107 -16.601 -2.204 410 HA HIS 51 HA HIS 51 11.216 -16.760 -4.988 411 HB2 HIS 51 2HB HIS 51 12.403 -18.872 -3.169 412 HB3 HIS 51 3HB HIS 51 12.007 -19.113 -4.868 413 HD1 HIS 51 HD1 HIS 51 13.502 -17.818 -6.619 414 HD2 HIS 51 HD2 HIS 51 14.820 -17.625 -2.680 415 HE1 HIS 51 HE1 HIS 51 15.866 -16.985 -6.739 416 HE2 HIS 51 HE2 HIS 51 16.592 -16.745 -4.341 417 H PHE 52 H PHE 52 9.625 -16.703 -2.169 418 HA PHE 52 HA PHE 52 7.948 -19.055 -2.505 419 HB2 PHE 52 2HB PHE 52 7.751 -16.831 -0.460 420 HB3 PHE 52 3HB PHE 52 6.902 -18.374 -0.405 421 HD1 PHE 52 HD2 PHE 52 8.526 -20.490 -0.588 422 HD2 PHE 52 HD1 PHE 52 9.666 -16.634 0.817 423 HE1 PHE 52 HE2 PHE 52 10.421 -21.492 0.617 424 HE2 PHE 52 HE1 PHE 52 11.566 -17.635 2.021 425 HZ PHE 52 HZ PHE 52 11.944 -20.064 1.922 426 H VAL 53 H VAL 53 7.941 -16.156 -4.025 427 HA VAL 53 HA VAL 53 5.195 -15.425 -3.965 428 HB VAL 53 HB VAL 53 7.194 -14.959 -6.198 429 HG11 VAL 53 1HG1 VAL 53 5.736 -13.073 -6.809 430 HG12 VAL 53 2HG1 VAL 53 4.600 -13.549 -5.548 431 HG13 VAL 53 3HG1 VAL 53 4.888 -14.615 -6.921 432 HG21 VAL 53 3HG2 VAL 53 7.999 -14.082 -4.050 433 HG22 VAL 53 1HG2 VAL 53 6.492 -13.187 -3.847 434 HG23 VAL 53 2HG2 VAL 53 7.593 -12.777 -5.164 435 H ARG 54 H ARG 54 3.810 -17.110 -4.296 436 HA ARG 54 HA ARG 54 4.428 -19.119 -6.303 437 HB2 ARG 54 2HB ARG 54 3.758 -19.811 -4.055 438 HB3 ARG 54 3HB ARG 54 2.213 -18.998 -4.250 439 HG2 ARG 54 2HG ARG 54 1.490 -20.560 -5.885 440 HG3 ARG 54 3HG ARG 54 3.111 -21.241 -6.043 441 HD2 ARG 54 2HD ARG 54 1.442 -21.365 -3.526 442 HD3 ARG 54 3HD ARG 54 1.551 -22.659 -4.720 443 HE ARG 54 HE ARG 54 4.047 -21.717 -3.520 444 HH11 ARG 54 1HH1 ARG 54 1.589 -24.135 -3.621 445 HH12 ARG 54 2HH1 ARG 54 2.575 -25.321 -2.845 446 HH21 ARG 54 1HH2 ARG 54 5.313 -23.263 -2.581 447 HH22 ARG 54 2HH2 ARG 54 4.673 -24.845 -2.293 448 H ARG 55 H ARG 55 1.433 -17.282 -5.510 449 HA ARG 55 HA ARG 55 0.725 -17.486 -8.371 450 HB2 ARG 55 2HB ARG 55 -0.451 -19.192 -6.988 451 HB3 ARG 55 3HB ARG 55 -1.194 -17.894 -6.068 452 HG2 ARG 55 2HG ARG 55 -2.515 -17.207 -7.884 453 HG3 ARG 55 3HG ARG 55 -1.539 -18.106 -9.047 454 HD2 ARG 55 2HD ARG 55 -3.747 -19.153 -8.557 455 HD3 ARG 55 3HD ARG 55 -2.370 -20.203 -8.218 456 HE ARG 55 HE ARG 55 -3.025 -18.873 -5.859 457 HH11 ARG 55 1HH1 ARG 55 -4.408 -21.206 -7.984 458 HH12 ARG 55 2HH1 ARG 55 -5.338 -21.951 -6.732 459 HH21 ARG 55 1HH2 ARG 55 -4.201 -19.848 -4.260 460 HH22 ARG 55 2HH2 ARG 55 -5.235 -21.184 -4.645 461 H ASN 56 H ASN 56 1.533 -15.329 -6.142 462 HA ASN 56 HA ASN 56 1.453 -13.055 -6.104 463 HB2 ASN 56 2HB ASN 56 0.100 -13.428 -8.784 464 HB3 ASN 56 3HB ASN 56 0.693 -11.890 -8.168 465 HD21 ASN 56 1HD2 ASN 56 2.115 -11.653 -9.870 466 HD22 ASN 56 2HD2 ASN 56 3.550 -12.603 -10.016 467 H ILE 57 H ILE 57 -1.042 -14.689 -5.211 468 HA ILE 57 HA ILE 57 -3.310 -13.059 -5.671 469 HB ILE 57 HB ILE 57 -2.777 -15.013 -3.422 470 HG12 ILE 57 2HG1 ILE 57 -4.285 -15.255 -6.043 471 HG13 ILE 57 3HG1 ILE 57 -2.797 -16.087 -5.601 472 HG21 ILE 57 1HG2 ILE 57 -5.391 -13.714 -4.226 473 HG22 ILE 57 2HG2 ILE 57 -4.486 -13.392 -2.747 474 HG23 ILE 57 3HG2 ILE 57 -5.197 -14.982 -3.015 475 HD11 ILE 57 3HD1 ILE 57 -5.507 -16.498 -4.353 476 HD12 ILE 57 1HD1 ILE 57 -4.021 -17.312 -3.862 477 HD13 ILE 57 2HD1 ILE 57 -4.684 -17.585 -5.473 478 H ILE 58 H ILE 58 -3.277 -10.955 -5.169 479 HA ILE 58 HA ILE 58 -2.015 -9.840 -2.862 480 HB ILE 58 HB ILE 58 -4.146 -8.594 -4.628 481 HG12 ILE 58 2HG1 ILE 58 -1.121 -8.417 -4.818 482 HG13 ILE 58 3HG1 ILE 58 -2.159 -9.323 -5.912 483 HG21 ILE 58 1HG2 ILE 58 -3.262 -6.447 -3.814 484 HG22 ILE 58 2HG2 ILE 58 -2.148 -7.307 -2.751 485 HG23 ILE 58 3HG2 ILE 58 -3.890 -7.430 -2.491 486 HD11 ILE 58 3HD1 ILE 58 -3.234 -7.224 -6.600 487 HD12 ILE 58 1HD1 ILE 58 -1.499 -7.233 -6.914 488 HD13 ILE 58 2HD1 ILE 58 -2.140 -6.337 -5.538 489 H THR 59 H THR 59 -2.745 -9.977 -0.829 490 HA THR 59 HA THR 59 -5.591 -9.673 -0.256 491 HB THR 59 HB THR 59 -5.363 -12.097 -0.446 492 HG1 THR 59 HG1 THR 59 -5.721 -12.446 2.052 493 HG21 THR 59 3HG2 THR 59 -3.264 -11.870 1.723 494 HG22 THR 59 1HG2 THR 59 -2.956 -12.275 0.034 495 HG23 THR 59 2HG2 THR 59 -3.901 -13.366 1.043 496 H ARG 60 H ARG 60 -5.896 -9.716 2.260 497 HA ARG 60 HA ARG 60 -4.505 -7.537 3.314 498 HB2 ARG 60 2HB ARG 60 -5.966 -9.677 4.882 499 HB3 ARG 60 3HB ARG 60 -5.571 -8.061 5.453 500 HG2 ARG 60 2HG ARG 60 -7.008 -7.151 3.609 501 HG3 ARG 60 3HG ARG 60 -7.518 -8.810 3.284 502 HD2 ARG 60 2HD ARG 60 -7.881 -7.291 5.874 503 HD3 ARG 60 3HD ARG 60 -9.142 -7.693 4.709 504 HE ARG 60 HE ARG 60 -8.535 -10.099 5.272 505 HH11 ARG 60 1HH1 ARG 60 -8.186 -7.519 7.529 506 HH12 ARG 60 2HH1 ARG 60 -8.429 -8.544 8.902 507 HH21 ARG 60 1HH2 ARG 60 -8.857 -11.404 7.059 508 HH22 ARG 60 2HH2 ARG 60 -8.797 -10.701 8.639 509 H GLY 61 H GLY 61 -2.766 -7.292 4.687 510 HA2 GLY 61 2HA GLY 61 -1.128 -7.999 6.234 511 HA3 GLY 61 3HA GLY 61 -1.478 -9.670 5.826 512 H ALA 62 H ALA 62 -1.257 -8.997 2.884 513 HA ALA 62 HA ALA 62 1.583 -9.465 2.666 514 HB1 ALA 62 3HB ALA 62 0.019 -10.656 1.214 515 HB2 ALA 62 1HB ALA 62 1.166 -9.704 0.272 516 HB3 ALA 62 2HB ALA 62 -0.487 -9.127 0.492 517 H VAL 63 H VAL 63 3.022 -8.195 1.283 518 HA VAL 63 HA VAL 63 2.415 -5.310 1.489 519 HB VAL 63 HB VAL 63 5.117 -6.672 1.639 520 HG11 VAL 63 1HG1 VAL 63 4.372 -3.764 1.988 521 HG12 VAL 63 2HG1 VAL 63 5.295 -4.454 0.653 522 HG13 VAL 63 3HG1 VAL 63 5.968 -4.457 2.284 523 HG21 VAL 63 3HG2 VAL 63 3.483 -5.354 3.816 524 HG22 VAL 63 1HG2 VAL 63 5.103 -6.028 4.000 525 HG23 VAL 63 2HG2 VAL 63 3.743 -7.089 3.628 526 H VAL 64 H VAL 64 2.390 -4.158 -0.334 527 HA VAL 64 HA VAL 64 3.502 -5.342 -2.782 528 HB VAL 64 HB VAL 64 2.110 -3.691 -4.007 529 HG11 VAL 64 1HG1 VAL 64 1.246 -5.936 -3.589 530 HG12 VAL 64 2HG1 VAL 64 -0.058 -4.753 -3.544 531 HG13 VAL 64 3HG1 VAL 64 0.587 -5.411 -2.041 532 HG21 VAL 64 3HG2 VAL 64 1.987 -1.931 -2.311 533 HG22 VAL 64 1HG2 VAL 64 1.034 -2.987 -1.265 534 HG23 VAL 64 2HG2 VAL 64 0.369 -2.434 -2.803 535 H GLU 65 H GLU 65 5.278 -4.528 -3.686 536 HA GLU 65 HA GLU 65 6.624 -2.240 -2.563 537 HB2 GLU 65 2HB GLU 65 7.897 -4.180 -3.389 538 HB3 GLU 65 3HB GLU 65 7.274 -3.910 -5.011 539 HG2 GLU 65 2HG GLU 65 9.471 -3.048 -4.992 540 HG3 GLU 65 3HG GLU 65 8.394 -1.656 -4.958 541 H THR 66 H THR 66 6.004 -0.214 -3.054 542 HA THR 66 HA THR 66 4.877 0.327 -5.743 543 HB THR 66 HB THR 66 3.522 2.086 -4.777 544 HG1 THR 66 HG1 THR 66 4.373 1.402 -2.166 545 HG21 THR 66 3HG2 THR 66 2.619 -0.211 -4.669 546 HG22 THR 66 1HG2 THR 66 2.038 0.793 -3.341 547 HG23 THR 66 2HG2 THR 66 3.310 -0.395 -3.057 548 H ASN 67 H ASN 67 4.953 2.772 -6.253 549 HA ASN 67 HA ASN 67 7.592 3.688 -6.462 550 HB2 ASN 67 2HB ASN 67 6.579 5.862 -7.146 551 HB3 ASN 67 3HB ASN 67 5.887 4.479 -7.987 552 HD21 ASN 67 1HD2 ASN 67 4.725 7.094 -7.589 553 HD22 ASN 67 2HD2 ASN 67 3.251 6.845 -6.724 554 H LEU 68 H LEU 68 5.182 4.227 -3.967 555 HA LEU 68 HA LEU 68 6.811 6.120 -2.504 556 HB2 LEU 68 2HB LEU 68 4.376 4.547 -1.628 557 HB3 LEU 68 3HB LEU 68 5.113 5.864 -0.733 558 HG LEU 68 HG LEU 68 3.750 6.092 -3.427 559 HD11 LEU 68 1HD1 LEU 68 2.919 7.058 -0.692 560 HD12 LEU 68 2HD1 LEU 68 2.165 5.763 -1.622 561 HD13 LEU 68 3HD1 LEU 68 2.090 7.425 -2.204 562 HD21 LEU 68 3HD2 LEU 68 4.082 8.507 -3.197 563 HD22 LEU 68 1HD2 LEU 68 5.624 7.654 -3.255 564 HD23 LEU 68 2HD2 LEU 68 5.002 8.246 -1.714 565 H GLY 69 H GLY 69 6.343 2.663 -2.587 566 HA2 GLY 69 2HA GLY 69 8.469 1.508 -1.811 567 HA3 GLY 69 3HA GLY 69 8.183 2.344 -0.292 568 H ASN 70 H ASN 70 8.038 0.425 0.869 569 HA ASN 70 HA ASN 70 6.361 -1.759 0.202 570 HB2 ASN 70 2HB ASN 70 7.626 -0.884 2.805 571 HB3 ASN 70 3HB ASN 70 6.728 -2.386 2.628 572 HD21 ASN 70 1HD2 ASN 70 8.558 -1.371 -0.121 573 HD22 ASN 70 2HD2 ASN 70 9.847 -2.496 0.088 574 H VAL 71 H VAL 71 4.193 -1.840 0.247 575 HA VAL 71 HA VAL 71 2.755 -0.262 2.299 576 HB VAL 71 HB VAL 71 1.818 -0.824 -0.527 577 HG11 VAL 71 1HG1 VAL 71 0.516 0.778 1.682 578 HG12 VAL 71 2HG1 VAL 71 -0.040 -0.774 1.053 579 HG13 VAL 71 3HG1 VAL 71 -0.064 0.655 0.021 580 HG21 VAL 71 3HG2 VAL 71 3.597 0.849 -0.477 581 HG22 VAL 71 1HG2 VAL 71 2.720 1.764 0.752 582 HG23 VAL 71 2HG2 VAL 71 2.049 1.600 -0.871 583 H ARG 72 H ARG 72 1.587 -1.490 3.670 584 HA ARG 72 HA ARG 72 1.188 -4.318 3.049 585 HB2 ARG 72 2HB ARG 72 2.098 -3.540 5.261 586 HB3 ARG 72 3HB ARG 72 0.525 -2.842 5.604 587 HG2 ARG 72 2HG ARG 72 -0.499 -5.058 5.480 588 HG3 ARG 72 3HG ARG 72 1.074 -5.771 5.111 589 HD2 ARG 72 2HD ARG 72 0.322 -4.313 7.650 590 HD3 ARG 72 3HD ARG 72 0.513 -6.056 7.472 591 HE ARG 72 HE ARG 72 2.922 -5.365 6.788 592 HH11 ARG 72 1HH1 ARG 72 0.989 -3.842 9.201 593 HH12 ARG 72 2HH1 ARG 72 2.349 -3.374 10.160 594 HH21 ARG 72 1HH2 ARG 72 4.669 -4.752 8.009 595 HH22 ARG 72 2HH2 ARG 72 4.418 -3.887 9.489 596 H VAL 73 H VAL 73 -0.647 -5.024 2.167 597 HA VAL 73 HA VAL 73 -2.905 -3.416 1.684 598 HB VAL 73 HB VAL 73 -2.738 -6.439 1.610 599 HG11 VAL 73 1HG1 VAL 73 -4.682 -4.557 0.257 600 HG12 VAL 73 2HG1 VAL 73 -5.053 -5.635 1.605 601 HG13 VAL 73 3HG1 VAL 73 -4.613 -6.308 0.034 602 HG21 VAL 73 3HG2 VAL 73 -2.280 -6.148 -0.793 603 HG22 VAL 73 1HG2 VAL 73 -1.025 -5.420 0.208 604 HG23 VAL 73 2HG2 VAL 73 -2.238 -4.398 -0.566 605 H THR 74 H THR 74 -4.680 -2.960 2.829 606 HA THR 74 HA THR 74 -5.153 -4.387 5.377 607 HB THR 74 HB THR 74 -6.376 -2.356 6.107 608 HG1 THR 74 HG1 THR 74 -6.519 -0.601 4.817 609 HG21 THR 74 3HG2 THR 74 -4.034 -2.578 6.717 610 HG22 THR 74 1HG2 THR 74 -4.404 -0.890 6.365 611 HG23 THR 74 2HG2 THR 74 -3.540 -1.870 5.177 612 H SER 75 H SER 75 -7.106 -2.508 3.034 613 HA SER 75 HA SER 75 -9.482 -4.024 3.657 614 HB2 SER 75 2HB SER 75 -9.699 -1.663 3.076 615 HB3 SER 75 3HB SER 75 -8.971 -1.956 1.499 616 HG SER 75 HG SER 75 -11.012 -2.136 0.956 617 H ARG 76 H ARG 76 -10.731 -5.254 2.093 618 HA ARG 76 HA ARG 76 -9.171 -7.220 0.801 619 HB2 ARG 76 2HB ARG 76 -11.664 -7.250 1.718 620 HB3 ARG 76 3HB ARG 76 -12.050 -6.845 0.054 621 HG2 ARG 76 2HG ARG 76 -10.504 -9.276 0.962 622 HG3 ARG 76 3HG ARG 76 -12.199 -9.252 0.481 623 HD2 ARG 76 2HD ARG 76 -11.592 -8.639 -1.784 624 HD3 ARG 76 3HD ARG 76 -9.896 -8.486 -1.328 625 HE ARG 76 HE ARG 76 -11.116 -11.088 -0.910 626 HH11 ARG 76 1HH1 ARG 76 -9.233 -9.098 -3.005 627 HH12 ARG 76 2HH1 ARG 76 -8.467 -10.444 -3.770 628 HH21 ARG 76 1HH2 ARG 76 -10.137 -12.810 -1.924 629 HH22 ARG 76 2HH2 ARG 76 -8.976 -12.519 -3.174 630 HA PRO 77 HA PRO 77 -8.303 -4.681 -2.843 631 HB2 PRO 77 2HB PRO 77 -6.836 -6.614 -4.143 632 HB3 PRO 77 3HB PRO 77 -6.185 -5.549 -2.892 633 HG2 PRO 77 2HG PRO 77 -7.191 -8.364 -2.644 634 HG3 PRO 77 3HG PRO 77 -5.736 -7.630 -1.940 635 HD2 PRO 77 2HD PRO 77 -7.944 -8.003 -0.478 636 HD3 PRO 77 3HD PRO 77 -6.940 -6.553 -0.264 637 H GLY 78 H GLY 78 -9.632 -4.372 -4.529 638 HA2 GLY 78 2HA GLY 78 -10.647 -4.947 -6.567 639 HA3 GLY 78 3HA GLY 78 -10.491 -6.646 -6.153 640 H GLN 79 H GLN 79 -11.777 -5.801 -3.416 641 HA GLN 79 HA GLN 79 -14.360 -6.724 -3.992 642 HB2 GLN 79 2HB GLN 79 -13.321 -6.782 -1.737 643 HB3 GLN 79 3HB GLN 79 -13.522 -5.039 -1.620 644 HG2 GLN 79 2HG GLN 79 -15.975 -5.349 -1.836 645 HG3 GLN 79 3HG GLN 79 -15.721 -7.093 -1.831 646 HE21 GLN 79 1HE2 GLN 79 -16.924 -7.384 0.029 647 HE22 GLN 79 2HE2 GLN 79 -16.367 -6.888 1.585 648 H ASP 80 H ASP 80 -13.228 -3.385 -3.468 649 HA ASP 80 HA ASP 80 -15.777 -2.405 -4.589 650 HB2 ASP 80 2HB ASP 80 -15.012 -1.572 -2.323 651 HB3 ASP 80 3HB ASP 80 -13.654 -0.802 -3.136 652 H GLY 81 H GLY 81 -13.452 -3.540 -6.098 653 HA2 GLY 81 2HA GLY 81 -12.416 -3.137 -8.116 654 HA3 GLY 81 3HA GLY 81 -13.279 -1.610 -8.195 655 H VAL 82 H VAL 82 -11.522 -1.902 -5.328 656 HA VAL 82 HA VAL 82 -9.167 -0.515 -6.414 657 HB VAL 82 HB VAL 82 -10.824 1.171 -5.642 658 HG11 VAL 82 1HG1 VAL 82 -10.432 -0.071 -2.916 659 HG12 VAL 82 2HG1 VAL 82 -11.909 -0.114 -3.879 660 HG13 VAL 82 3HG1 VAL 82 -11.310 1.422 -3.251 661 HG21 VAL 82 3HG2 VAL 82 -8.303 1.028 -3.983 662 HG22 VAL 82 1HG2 VAL 82 -9.297 2.468 -4.204 663 HG23 VAL 82 2HG2 VAL 82 -8.470 1.747 -5.583 664 H ILE 83 H ILE 83 -7.336 -0.454 -4.903 665 HA ILE 83 HA ILE 83 -7.401 -2.594 -2.859 666 HB ILE 83 HB ILE 83 -4.969 -1.617 -4.389 667 HG12 ILE 83 2HG1 ILE 83 -6.589 -4.156 -4.770 668 HG13 ILE 83 3HG1 ILE 83 -6.537 -2.797 -5.886 669 HG21 ILE 83 1HG2 ILE 83 -4.455 -2.499 -2.167 670 HG22 ILE 83 2HG2 ILE 83 -3.861 -3.586 -3.421 671 HG23 ILE 83 3HG2 ILE 83 -5.337 -3.982 -2.538 672 HD11 ILE 83 3HD1 ILE 83 -5.156 -4.624 -6.668 673 HD12 ILE 83 1HD1 ILE 83 -4.226 -4.590 -5.169 674 HD13 ILE 83 2HD1 ILE 83 -4.161 -3.218 -6.278 675 H ASN 84 H ASN 84 -6.584 -2.112 -0.804 676 HA ASN 84 HA ASN 84 -5.646 0.661 -0.357 677 HB2 ASN 84 2HB ASN 84 -7.516 -0.885 1.459 678 HB3 ASN 84 3HB ASN 84 -6.945 0.762 1.707 679 HD21 ASN 84 1HD2 ASN 84 -7.766 2.411 0.411 680 HD22 ASN 84 2HD2 ASN 84 -9.223 2.217 -0.495 681 H GLY 85 H GLY 85 -4.101 0.973 1.291 682 HA2 GLY 85 2HA GLY 85 -3.268 -1.199 3.001 683 HA3 GLY 85 3HA GLY 85 -2.138 -0.901 1.690 684 H VAL 86 H VAL 86 -0.954 -0.626 3.966 685 HA VAL 86 HA VAL 86 -1.023 2.245 4.711 686 HB VAL 86 HB VAL 86 0.221 0.039 6.366 687 HG11 VAL 86 1HG1 VAL 86 1.022 2.279 6.863 688 HG12 VAL 86 2HG1 VAL 86 0.036 1.671 8.193 689 HG13 VAL 86 3HG1 VAL 86 -0.636 2.851 7.065 690 HG21 VAL 86 3HG2 VAL 86 -1.811 0.114 7.777 691 HG22 VAL 86 1HG2 VAL 86 -2.113 -0.513 6.155 692 HG23 VAL 86 2HG2 VAL 86 -2.584 1.139 6.564 693 H LEU 87 H LEU 87 0.839 3.454 4.585 694 HA LEU 87 HA LEU 87 3.059 2.443 3.073 695 HB2 LEU 87 2HB LEU 87 2.326 4.776 2.878 696 HB3 LEU 87 3HB LEU 87 2.721 5.057 4.561 697 HG LEU 87 HG LEU 87 5.114 4.630 4.050 698 HD11 LEU 87 1HD1 LEU 87 4.836 3.179 2.110 699 HD12 LEU 87 2HD1 LEU 87 5.864 4.557 1.727 700 HD13 LEU 87 3HD1 LEU 87 4.189 4.529 1.176 701 HD21 LEU 87 3HD2 LEU 87 4.248 6.919 4.086 702 HD22 LEU 87 1HD2 LEU 87 3.838 6.801 2.372 703 HD23 LEU 87 2HD2 LEU 87 5.525 6.740 2.883 704 H ILE 88 H ILE 88 4.421 1.024 4.011 705 HA ILE 88 HA ILE 88 5.486 1.675 6.696 706 HB ILE 88 HB ILE 88 5.714 -0.705 7.175 707 HG12 ILE 88 2HG1 ILE 88 4.400 -1.093 4.476 708 HG13 ILE 88 3HG1 ILE 88 6.039 -1.553 4.915 709 HG21 ILE 88 1HG2 ILE 88 3.336 -1.285 7.430 710 HG22 ILE 88 2HG2 ILE 88 2.905 0.014 6.316 711 HG23 ILE 88 3HG2 ILE 88 3.648 0.395 7.871 712 HD11 ILE 88 3HD1 ILE 88 5.162 -3.199 6.480 713 HD12 ILE 88 1HD1 ILE 88 4.562 -3.476 4.846 714 HD13 ILE 88 2HD1 ILE 88 3.516 -2.732 6.053 715 H ARG 89 H ARG 89 7.542 0.127 7.011 716 HA ARG 89 HA ARG 89 9.192 0.137 4.585 717 HB2 ARG 89 2HB ARG 89 10.044 1.441 7.186 718 HB3 ARG 89 3HB ARG 89 11.073 1.212 5.782 719 HG2 ARG 89 2HG ARG 89 8.572 2.898 5.828 720 HG3 ARG 89 3HG ARG 89 10.212 3.517 6.012 721 HD2 ARG 89 2HD ARG 89 10.782 2.725 3.776 722 HD3 ARG 89 3HD ARG 89 9.170 2.030 3.595 723 HE ARG 89 HE ARG 89 9.044 4.813 4.177 724 HH11 ARG 89 1HH1 ARG 89 9.690 2.603 1.618 725 HH12 ARG 89 2HH1 ARG 89 9.159 3.700 0.393 726 HH21 ARG 89 1HH2 ARG 89 8.381 6.218 2.572 727 HH22 ARG 89 2HH2 ARG 89 8.450 5.709 0.920 728 H GLU 90 H GLU 90 8.558 -2.216 5.062 729 HA GLU 90 HA GLU 90 10.032 -3.560 7.131 730 HB2 GLU 90 2HB GLU 90 8.659 -4.649 4.655 731 HB3 GLU 90 3HB GLU 90 9.341 -5.641 5.942 732 HG2 GLU 90 2HG GLU 90 7.787 -4.601 7.543 733 HG3 GLU 90 3HG GLU 90 7.091 -3.656 6.231 734 H LEU 91 H LEU 91 10.530 -2.874 3.704 735 HA LEU 91 HA LEU 91 13.306 -3.758 3.874 736 HB2 LEU 91 2HB LEU 91 11.811 -2.313 1.670 737 HB3 LEU 91 3HB LEU 91 13.473 -2.865 1.557 738 HG LEU 91 HG LEU 91 11.039 -4.636 1.874 739 HD11 LEU 91 1HD1 LEU 91 11.537 -5.371 -0.400 740 HD12 LEU 91 2HD1 LEU 91 12.860 -4.209 -0.497 741 HD13 LEU 91 3HD1 LEU 91 11.195 -3.642 -0.346 742 HD21 LEU 91 3HD2 LEU 91 12.953 -5.622 2.997 743 HD22 LEU 91 1HD2 LEU 91 13.956 -5.366 1.569 744 HD23 LEU 91 2HD2 LEU 91 12.607 -6.500 1.511 745 H GLU 92 H GLU 92 15.063 -2.159 3.390 746 HA GLU 92 HA GLU 92 14.895 -0.107 5.344 747 HB2 GLU 92 2HB GLU 92 16.943 -1.463 4.684 748 HB3 GLU 92 3HB GLU 92 17.077 -0.413 3.281 749 HG2 GLU 92 2HG GLU 92 17.355 1.523 4.728 750 HG3 GLU 92 3HG GLU 92 17.160 0.503 6.153 751 H HIS 93 H HIS 93 15.494 2.186 4.987 752 HA HIS 93 HA HIS 93 13.668 3.476 3.306 753 HB2 HIS 93 2HB HIS 93 16.177 4.635 4.539 754 HB3 HIS 93 3HB HIS 93 14.801 5.554 3.944 755 HD1 HIS 93 HD1 HIS 93 16.140 4.758 7.012 756 HD2 HIS 93 HD2 HIS 93 12.327 4.266 5.441 757 HE1 HIS 93 HE1 HIS 93 14.622 4.536 8.993 758 HE2 HIS 93 HE2 HIS 93 12.371 3.997 8.015 759 H HIS 94 H HIS 94 13.686 3.498 1.146 760 HA HIS 94 HA HIS 94 16.161 3.007 -0.284 761 HB2 HIS 94 2HB HIS 94 13.447 2.341 -0.695 762 HB3 HIS 94 3HB HIS 94 13.888 3.393 -2.031 763 HD1 HIS 94 HD1 HIS 94 13.803 -0.045 -1.226 764 HD2 HIS 94 HD2 HIS 94 16.544 2.390 -3.187 765 HE1 HIS 94 HE1 HIS 94 15.231 -1.597 -2.588 766 HE2 HIS 94 HE2 HIS 94 16.778 -0.089 -3.878 767 H HIS 95 H HIS 95 16.968 5.206 0.396 768 HA HIS 95 HA HIS 95 16.678 6.941 -1.935 769 HB2 HIS 95 2HB HIS 95 16.213 7.870 0.902 770 HB3 HIS 95 3HB HIS 95 16.762 8.982 -0.345 771 HD1 HIS 95 HD1 HIS 95 13.774 8.032 1.219 772 HD2 HIS 95 HD2 HIS 95 14.851 8.682 -2.738 773 HE1 HIS 95 HE1 HIS 95 11.623 8.467 0.004 774 HE2 HIS 95 HE2 HIS 95 12.318 9.021 -2.350 775 H HIS 96 H HIS 96 18.615 7.449 -2.703 776 HA HIS 96 HA HIS 96 21.013 6.747 -1.279 777 HB2 HIS 96 2HB HIS 96 20.783 6.406 -3.706 778 HB3 HIS 96 3HB HIS 96 20.617 8.140 -3.944 779 HD1 HIS 96 HD1 HIS 96 23.192 5.602 -2.796 780 HD2 HIS 96 HD2 HIS 96 22.982 9.467 -4.307 781 HE1 HIS 96 HE1 HIS 96 25.562 6.270 -3.268 782 HE2 HIS 96 HE2 HIS 96 25.396 8.548 -4.310 783 H HIS 97 H HIS 97 20.300 8.341 0.510 784 HA HIS 97 HA HIS 97 20.650 10.208 1.736 785 HB2 HIS 97 2HB HIS 97 22.762 10.786 -0.354 786 HB3 HIS 97 3HB HIS 97 22.577 11.685 1.149 787 HD1 HIS 97 HD1 HIS 97 23.171 10.413 3.364 788 HD2 HIS 97 HD2 HIS 97 24.064 8.342 -0.126 789 HE1 HIS 97 HE1 HIS 97 24.675 8.536 4.066 790 HE2 HIS 97 HE2 HIS 97 25.053 7.197 1.974 791 H HIS 98 H HIS 98 21.105 11.498 -1.575 792 HA HIS 98 HA HIS 98 18.646 13.069 -1.251 793 HB2 HIS 98 2HB HIS 98 20.461 14.557 -0.589 794 HB3 HIS 98 3HB HIS 98 21.326 14.213 -2.081 795 HD1 HIS 98 HD1 HIS 98 17.981 15.707 -1.032 796 HD2 HIS 98 HD2 HIS 98 20.836 16.033 -4.036 797 HE1 HIS 98 HE1 HIS 98 17.221 17.608 -2.478 798 HE2 HIS 98 HE2 HIS 98 19.041 17.886 -4.188 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 9.555 39.759 -15.407 2 H2 GLY 1 2H GLY 1 10.153 39.333 -16.925 3 H3 GLY 1 3H GLY 1 10.698 38.518 -15.549 4 HA2 GLY 1 2HA GLY 1 7.951 38.434 -16.674 5 HA3 GLY 1 3HA GLY 1 9.137 37.143 -16.758 6 H ASP 2 H ASP 2 7.791 39.251 -14.191 7 HA ASP 2 HA ASP 2 7.808 36.956 -12.358 8 HB2 ASP 2 2HB ASP 2 7.313 39.897 -11.810 9 HB3 ASP 2 3HB ASP 2 7.487 38.636 -10.592 10 H ARG 3 H ARG 3 5.797 37.149 -14.482 11 HA ARG 3 HA ARG 3 3.332 37.981 -13.178 12 HB2 ARG 3 2HB ARG 3 3.729 36.777 -15.926 13 HB3 ARG 3 3HB ARG 3 2.265 37.543 -15.327 14 HG2 ARG 3 2HG ARG 3 4.916 38.913 -15.776 15 HG3 ARG 3 3HG ARG 3 3.503 39.015 -16.828 16 HD2 ARG 3 2HD ARG 3 3.627 39.943 -13.952 17 HD3 ARG 3 3HD ARG 3 3.716 40.987 -15.369 18 HE ARG 3 HE ARG 3 1.354 39.331 -15.233 19 HH11 ARG 3 1HH1 ARG 3 2.754 42.375 -14.450 20 HH12 ARG 3 2HH1 ARG 3 1.222 43.155 -14.278 21 HH21 ARG 3 1HH2 ARG 3 -0.602 40.340 -15.007 22 HH22 ARG 3 2HH2 ARG 3 -0.656 42.009 -14.551 23 H ARG 4 H ARG 4 3.081 36.432 -11.516 24 HA ARG 4 HA ARG 4 2.640 33.654 -12.299 25 HB2 ARG 4 2HB ARG 4 2.131 33.277 -9.872 26 HB3 ARG 4 3HB ARG 4 3.747 33.880 -10.188 27 HG2 ARG 4 2HG ARG 4 1.556 35.783 -9.444 28 HG3 ARG 4 3HG ARG 4 2.372 34.834 -8.204 29 HD2 ARG 4 2HD ARG 4 4.515 35.773 -8.845 30 HD3 ARG 4 3HD ARG 4 3.762 36.648 -10.180 31 HE ARG 4 HE ARG 4 2.416 37.534 -8.000 32 HH11 ARG 4 1HH1 ARG 4 5.778 37.347 -8.760 33 HH12 ARG 4 2HH1 ARG 4 6.165 38.746 -7.820 34 HH21 ARG 4 1HH2 ARG 4 2.939 39.320 -6.818 35 HH22 ARG 4 2HH2 ARG 4 4.587 39.847 -6.748 36 H VAL 5 H VAL 5 0.790 33.320 -13.377 37 HA VAL 5 HA VAL 5 -1.552 34.985 -12.778 38 HB VAL 5 HB VAL 5 -2.450 34.197 -14.925 39 HG11 VAL 5 1HG1 VAL 5 -1.031 36.181 -14.912 40 HG12 VAL 5 2HG1 VAL 5 -0.796 35.264 -16.400 41 HG13 VAL 5 3HG1 VAL 5 0.406 35.178 -15.111 42 HG21 VAL 5 3HG2 VAL 5 -1.486 31.935 -14.919 43 HG22 VAL 5 1HG2 VAL 5 0.121 32.617 -15.163 44 HG23 VAL 5 2HG2 VAL 5 -1.108 32.789 -16.414 45 H ARG 6 H ARG 6 -0.588 32.197 -11.478 46 HA ARG 6 HA ARG 6 -2.924 30.566 -11.942 47 HB2 ARG 6 2HB ARG 6 -0.580 30.265 -10.070 48 HB3 ARG 6 3HB ARG 6 -1.929 29.137 -10.086 49 HG2 ARG 6 2HG ARG 6 -1.479 28.649 -12.455 50 HG3 ARG 6 3HG ARG 6 -0.102 29.752 -12.408 51 HD2 ARG 6 2HD ARG 6 1.023 28.365 -10.792 52 HD3 ARG 6 3HD ARG 6 -0.396 27.330 -10.631 53 HE ARG 6 HE ARG 6 0.064 26.928 -13.155 54 HH11 ARG 6 1HH1 ARG 6 2.476 27.367 -10.736 55 HH12 ARG 6 2HH1 ARG 6 3.585 26.280 -11.502 56 HH21 ARG 6 1HH2 ARG 6 1.502 25.541 -14.122 57 HH22 ARG 6 2HH2 ARG 6 3.046 25.264 -13.384 58 H LEU 7 H LEU 7 -4.563 32.079 -11.324 59 HA LEU 7 HA LEU 7 -4.894 32.572 -8.455 60 HB2 LEU 7 2HB LEU 7 -5.343 34.375 -10.102 61 HB3 LEU 7 3HB LEU 7 -6.629 33.402 -10.794 62 HG LEU 7 HG LEU 7 -7.862 33.526 -8.651 63 HD11 LEU 7 1HD1 LEU 7 -5.641 35.383 -7.797 64 HD12 LEU 7 2HD1 LEU 7 -5.991 33.790 -7.125 65 HD13 LEU 7 3HD1 LEU 7 -7.147 35.104 -6.920 66 HD21 LEU 7 3HD2 LEU 7 -7.083 36.213 -9.792 67 HD22 LEU 7 1HD2 LEU 7 -8.522 35.873 -8.829 68 HD23 LEU 7 2HD2 LEU 7 -8.332 35.138 -10.421 69 H ILE 8 H ILE 8 -6.131 30.545 -11.002 70 HA ILE 8 HA ILE 8 -8.472 29.631 -9.613 71 HB ILE 8 HB ILE 8 -8.184 29.660 -12.117 72 HG12 ILE 8 2HG1 ILE 8 -9.318 27.441 -12.482 73 HG13 ILE 8 3HG1 ILE 8 -8.980 27.048 -10.798 74 HG21 ILE 8 1HG2 ILE 8 -7.021 27.783 -13.185 75 HG22 ILE 8 2HG2 ILE 8 -6.452 27.238 -11.608 76 HG23 ILE 8 3HG2 ILE 8 -5.918 28.792 -12.249 77 HD11 ILE 8 3HD1 ILE 8 -11.260 27.836 -11.105 78 HD12 ILE 8 1HD1 ILE 8 -10.658 29.355 -11.767 79 HD13 ILE 8 2HD1 ILE 8 -10.340 28.940 -10.081 80 H ARG 9 H ARG 9 -8.808 27.369 -8.883 81 HA ARG 9 HA ARG 9 -6.352 25.903 -8.230 82 HB2 ARG 9 2HB ARG 9 -7.106 25.486 -5.916 83 HB3 ARG 9 3HB ARG 9 -6.772 27.180 -6.220 84 HG2 ARG 9 2HG ARG 9 -9.565 26.057 -6.308 85 HG3 ARG 9 3HG ARG 9 -8.818 26.624 -4.815 86 HD2 ARG 9 2HD ARG 9 -8.435 28.831 -5.952 87 HD3 ARG 9 3HD ARG 9 -9.400 28.234 -7.302 88 HE ARG 9 HE ARG 9 -10.470 28.469 -4.563 89 HH11 ARG 9 1HH1 ARG 9 -10.782 28.908 -7.963 90 HH12 ARG 9 2HH1 ARG 9 -12.335 29.648 -7.847 91 HH21 ARG 9 1HH2 ARG 9 -12.501 29.381 -4.426 92 HH22 ARG 9 2HH2 ARG 9 -13.299 29.905 -5.867 93 H THR 10 H THR 10 -6.875 23.658 -7.316 94 HA THR 10 HA THR 10 -9.204 22.549 -8.778 95 HB THR 10 HB THR 10 -7.153 22.115 -10.055 96 HG1 THR 10 HG1 THR 10 -8.551 20.467 -10.351 97 HG21 THR 10 3HG2 THR 10 -5.400 20.656 -9.168 98 HG22 THR 10 1HG2 THR 10 -6.220 20.601 -7.608 99 HG23 THR 10 2HG2 THR 10 -5.544 22.119 -8.194 100 H ARG 11 H ARG 11 -9.390 20.066 -8.170 101 HA ARG 11 HA ARG 11 -8.822 19.286 -5.491 102 HB2 ARG 11 2HB ARG 11 -10.517 21.011 -5.009 103 HB3 ARG 11 3HB ARG 11 -11.653 20.205 -6.083 104 HG2 ARG 11 2HG ARG 11 -11.688 18.260 -4.606 105 HG3 ARG 11 3HG ARG 11 -10.516 19.043 -3.541 106 HD2 ARG 11 2HD ARG 11 -13.315 20.007 -4.158 107 HD3 ARG 11 3HD ARG 11 -12.765 19.279 -2.647 108 HE ARG 11 HE ARG 11 -11.141 21.454 -3.035 109 HH11 ARG 11 1HH1 ARG 11 -14.524 20.924 -2.658 110 HH12 ARG 11 2HH1 ARG 11 -14.811 22.511 -2.038 111 HH21 ARG 11 1HH2 ARG 11 -11.519 23.475 -2.212 112 HH22 ARG 11 2HH2 ARG 11 -13.125 23.931 -1.759 113 H GLY 12 H GLY 12 -9.390 17.085 -5.118 114 HA2 GLY 12 2HA GLY 12 -11.319 15.605 -6.458 115 HA3 GLY 12 3HA GLY 12 -9.883 15.518 -7.461 116 H GLY 13 H GLY 13 -11.404 13.471 -5.882 117 HA2 GLY 13 2HA GLY 13 -9.349 12.498 -4.025 118 HA3 GLY 13 3HA GLY 13 -10.936 11.788 -4.282 119 H ASN 14 H ASN 14 -10.783 11.666 -7.137 120 HA ASN 14 HA ASN 14 -8.446 9.975 -7.714 121 HB2 ASN 14 2HB ASN 14 -10.434 8.525 -7.146 122 HB3 ASN 14 3HB ASN 14 -11.276 9.231 -8.522 123 HD21 ASN 14 1HD2 ASN 14 -8.838 7.017 -7.495 124 HD22 ASN 14 2HD2 ASN 14 -8.520 6.332 -9.048 125 H THR 15 H THR 15 -8.002 9.810 -10.085 126 HA THR 15 HA THR 15 -9.204 12.033 -11.596 127 HB THR 15 HB THR 15 -6.218 11.546 -11.528 128 HG1 THR 15 HG1 THR 15 -7.164 13.873 -10.375 129 HG21 THR 15 3HG2 THR 15 -7.826 13.900 -12.550 130 HG22 THR 15 1HG2 THR 15 -7.022 12.690 -13.550 131 HG23 THR 15 2HG2 THR 15 -6.068 13.772 -12.541 132 H LYS 16 H LYS 16 -8.774 8.834 -11.702 133 HA LYS 16 HA LYS 16 -9.114 8.565 -14.486 134 HB2 LYS 16 2HB LYS 16 -6.790 9.315 -14.604 135 HB3 LYS 16 3HB LYS 16 -6.294 7.997 -13.555 136 HG2 LYS 16 2HG LYS 16 -6.959 6.375 -15.259 137 HG3 LYS 16 3HG LYS 16 -7.488 7.692 -16.311 138 HD2 LYS 16 2HD LYS 16 -4.663 7.249 -15.316 139 HD3 LYS 16 3HD LYS 16 -5.257 6.876 -16.936 140 HE2 LYS 16 2HE LYS 16 -5.711 9.227 -17.345 141 HE3 LYS 16 3HE LYS 16 -5.244 9.631 -15.693 142 HZ1 LYS 16 3HZ LYS 16 -3.486 10.098 -17.289 143 HZ2 LYS 16 1HZ LYS 16 -3.436 8.469 -17.741 144 HZ3 LYS 16 2HZ LYS 16 -3.006 8.922 -16.172 145 H VAL 17 H VAL 17 -10.702 7.120 -13.708 146 HA VAL 17 HA VAL 17 -11.621 5.070 -13.430 147 HB VAL 17 HB VAL 17 -10.353 4.914 -15.620 148 HG11 VAL 17 1HG1 VAL 17 -8.480 3.196 -13.996 149 HG12 VAL 17 2HG1 VAL 17 -8.087 4.726 -14.777 150 HG13 VAL 17 3HG1 VAL 17 -8.496 3.318 -15.756 151 HG21 VAL 17 3HG2 VAL 17 -10.895 2.298 -14.213 152 HG22 VAL 17 1HG2 VAL 17 -10.864 2.570 -15.956 153 HG23 VAL 17 2HG2 VAL 17 -12.115 3.326 -14.966 154 H ARG 18 H ARG 18 -11.447 2.798 -12.559 155 HA ARG 18 HA ARG 18 -9.873 2.735 -10.129 156 HB2 ARG 18 2HB ARG 18 -11.082 0.556 -9.736 157 HB3 ARG 18 3HB ARG 18 -12.114 1.966 -9.896 158 HG2 ARG 18 2HG ARG 18 -13.234 0.329 -11.101 159 HG3 ARG 18 3HG ARG 18 -12.396 1.244 -12.350 160 HD2 ARG 18 2HD ARG 18 -10.675 -0.457 -12.497 161 HD3 ARG 18 3HD ARG 18 -11.382 -1.332 -11.137 162 HE ARG 18 HE ARG 18 -13.217 -0.981 -13.311 163 HH11 ARG 18 1HH1 ARG 18 -10.615 -2.922 -12.162 164 HH12 ARG 18 2HH1 ARG 18 -11.130 -4.324 -13.023 165 HH21 ARG 18 1HH2 ARG 18 -13.864 -2.797 -14.443 166 HH22 ARG 18 2HH2 ARG 18 -12.937 -4.252 -14.315 167 H LEU 19 H LEU 19 -9.177 0.133 -9.740 168 HA LEU 19 HA LEU 19 -6.843 -0.135 -11.391 169 HB2 LEU 19 2HB LEU 19 -6.945 -0.692 -8.949 170 HB3 LEU 19 3HB LEU 19 -7.937 -2.079 -9.342 171 HG LEU 19 HG LEU 19 -5.143 -1.754 -10.460 172 HD11 LEU 19 1HD1 LEU 19 -4.351 -3.186 -8.641 173 HD12 LEU 19 2HD1 LEU 19 -5.944 -3.116 -7.889 174 HD13 LEU 19 3HD1 LEU 19 -4.974 -1.652 -8.035 175 HD21 LEU 19 3HD2 LEU 19 -6.908 -4.174 -10.037 176 HD22 LEU 19 1HD2 LEU 19 -5.251 -4.211 -10.643 177 HD23 LEU 19 2HD2 LEU 19 -6.516 -3.420 -11.584 178 H ALA 20 H ALA 20 -7.092 -0.797 -13.438 179 HA ALA 20 HA ALA 20 -8.230 -3.476 -13.854 180 HB1 ALA 20 3HB ALA 20 -8.767 -1.124 -15.679 181 HB2 ALA 20 1HB ALA 20 -9.941 -1.888 -14.608 182 HB3 ALA 20 2HB ALA 20 -9.268 -2.791 -15.965 183 H SER 21 H SER 21 -6.870 -1.045 -16.070 184 HA SER 21 HA SER 21 -4.719 -2.893 -16.803 185 HB2 SER 21 2HB SER 21 -5.887 -1.717 -18.618 186 HB3 SER 21 3HB SER 21 -5.440 -0.162 -17.920 187 HG SER 21 HG SER 21 -3.898 -2.003 -19.339 188 H ASP 22 H ASP 22 -5.270 0.026 -15.017 189 HA ASP 22 HA ASP 22 -2.415 0.526 -14.622 190 HB2 ASP 22 2HB ASP 22 -4.813 2.080 -13.609 191 HB3 ASP 22 3HB ASP 22 -3.131 2.593 -13.532 192 H THR 23 H THR 23 -1.663 -1.030 -13.182 193 HA THR 23 HA THR 23 -3.107 -1.884 -10.872 194 HB THR 23 HB THR 23 -0.132 -2.077 -11.445 195 HG1 THR 23 HG1 THR 23 -2.162 -3.310 -12.604 196 HG21 THR 23 3HG2 THR 23 -0.590 -2.357 -9.058 197 HG22 THR 23 1HG2 THR 23 -0.129 -3.896 -9.791 198 HG23 THR 23 2HG2 THR 23 -1.824 -3.565 -9.427 199 H ARG 24 H ARG 24 -3.534 -0.667 -9.142 200 HA ARG 24 HA ARG 24 -1.546 1.192 -8.066 201 HB2 ARG 24 2HB ARG 24 -4.306 2.017 -9.007 202 HB3 ARG 24 3HB ARG 24 -3.300 3.005 -7.955 203 HG2 ARG 24 2HG ARG 24 -1.659 3.303 -9.658 204 HG3 ARG 24 3HG ARG 24 -2.423 2.092 -10.690 205 HD2 ARG 24 2HD ARG 24 -3.697 4.707 -9.861 206 HD3 ARG 24 3HD ARG 24 -2.891 4.424 -11.406 207 HE ARG 24 HE ARG 24 -4.801 2.452 -11.193 208 HH11 ARG 24 1HH1 ARG 24 -4.775 5.897 -11.276 209 HH12 ARG 24 2HH1 ARG 24 -6.350 5.991 -11.988 210 HH21 ARG 24 1HH2 ARG 24 -6.838 2.611 -12.113 211 HH22 ARG 24 2HH2 ARG 24 -7.498 4.179 -12.424 212 H ILE 25 H ILE 25 -2.241 2.100 -5.936 213 HA ILE 25 HA ILE 25 -4.294 0.580 -4.522 214 HB ILE 25 HB ILE 25 -2.340 -0.847 -4.281 215 HG12 ILE 25 2HG1 ILE 25 -2.852 0.667 -1.700 216 HG13 ILE 25 3HG1 ILE 25 -3.881 -0.607 -2.343 217 HG21 ILE 25 1HG2 ILE 25 -0.284 -0.082 -3.196 218 HG22 ILE 25 2HG2 ILE 25 -0.930 1.556 -3.109 219 HG23 ILE 25 3HG2 ILE 25 -0.596 0.822 -4.677 220 HD11 ILE 25 3HD1 ILE 25 -2.437 -1.420 -0.565 221 HD12 ILE 25 1HD1 ILE 25 -1.012 -0.936 -1.485 222 HD13 ILE 25 2HD1 ILE 25 -2.067 -2.209 -2.098 223 H ASN 26 H ASN 26 -5.285 1.759 -2.969 224 HA ASN 26 HA ASN 26 -4.503 4.466 -2.443 225 HB2 ASN 26 2HB ASN 26 -6.589 2.735 -1.081 226 HB3 ASN 26 3HB ASN 26 -6.404 4.473 -0.857 227 HD21 ASN 26 1HD2 ASN 26 -8.668 2.955 -1.860 228 HD22 ASN 26 2HD2 ASN 26 -9.009 3.586 -3.429 229 H VAL 27 H VAL 27 -2.688 4.769 -1.314 230 HA VAL 27 HA VAL 27 -1.987 3.012 0.914 231 HB VAL 27 HB VAL 27 -0.387 5.244 -0.365 232 HG11 VAL 27 1HG1 VAL 27 1.536 4.232 0.773 233 HG12 VAL 27 2HG1 VAL 27 0.465 3.061 1.546 234 HG13 VAL 27 3HG1 VAL 27 0.320 4.778 1.925 235 HG21 VAL 27 3HG2 VAL 27 0.870 3.434 -1.471 236 HG22 VAL 27 1HG2 VAL 27 -0.824 3.468 -1.966 237 HG23 VAL 27 2HG2 VAL 27 -0.266 2.258 -0.811 238 H VAL 28 H VAL 28 -1.683 3.720 3.005 239 HA VAL 28 HA VAL 28 -2.551 6.467 3.656 240 HB VAL 28 HB VAL 28 -2.755 4.011 5.423 241 HG11 VAL 28 1HG1 VAL 28 -2.474 6.048 6.717 242 HG12 VAL 28 2HG1 VAL 28 -4.129 5.456 6.876 243 HG13 VAL 28 3HG1 VAL 28 -3.779 6.828 5.821 244 HG21 VAL 28 3HG2 VAL 28 -4.311 3.862 3.548 245 HG22 VAL 28 1HG2 VAL 28 -4.927 5.476 3.912 246 HG23 VAL 28 2HG2 VAL 28 -5.179 4.157 5.056 247 H ASP 29 H ASP 29 -0.715 7.618 3.983 248 HA ASP 29 HA ASP 29 1.696 6.541 5.054 249 HB2 ASP 29 2HB ASP 29 1.633 8.516 3.568 250 HB3 ASP 29 3HB ASP 29 0.799 9.430 4.819 251 HA PRO 30 HA PRO 30 0.126 6.760 9.301 252 HB2 PRO 30 2HB PRO 30 1.945 5.168 10.450 253 HB3 PRO 30 3HB PRO 30 0.724 4.516 9.349 254 HG2 PRO 30 2HG PRO 30 3.597 5.188 8.805 255 HG3 PRO 30 3HG PRO 30 2.676 3.753 8.314 256 HD2 PRO 30 2HD PRO 30 3.144 5.912 6.673 257 HD3 PRO 30 3HD PRO 30 1.758 4.816 6.497 258 H GLU 31 H GLU 31 3.161 7.901 8.130 259 HA GLU 31 HA GLU 31 4.220 8.813 10.639 260 HB2 GLU 31 2HB GLU 31 4.949 9.741 7.850 261 HB3 GLU 31 3HB GLU 31 5.912 9.934 9.307 262 HG2 GLU 31 2HG GLU 31 5.269 7.362 7.875 263 HG3 GLU 31 3HG GLU 31 6.836 8.161 7.982 264 H THR 32 H THR 32 2.345 10.240 8.034 265 HA THR 32 HA THR 32 2.055 12.745 9.575 266 HB THR 32 HB THR 32 1.360 13.813 7.497 267 HG1 THR 32 HG1 THR 32 1.892 11.373 6.128 268 HG21 THR 32 3HG2 THR 32 3.432 13.662 6.211 269 HG22 THR 32 1HG2 THR 32 3.857 12.167 7.043 270 HG23 THR 32 2HG2 THR 32 3.783 13.682 7.940 271 H GLY 33 H GLY 33 0.309 10.101 8.052 272 HA2 GLY 33 2HA GLY 33 -1.845 9.358 8.637 273 HA3 GLY 33 3HA GLY 33 -2.144 10.892 9.440 274 H LYS 34 H LYS 34 -1.064 10.239 6.110 275 HA LYS 34 HA LYS 34 -3.540 11.538 5.128 276 HB2 LYS 34 2HB LYS 34 -2.287 12.397 3.243 277 HB3 LYS 34 3HB LYS 34 -1.485 12.875 4.734 278 HG2 LYS 34 2HG LYS 34 0.183 11.147 4.442 279 HG3 LYS 34 3HG LYS 34 -0.652 10.546 3.009 280 HD2 LYS 34 2HD LYS 34 1.251 11.894 2.349 281 HD3 LYS 34 3HD LYS 34 -0.245 12.708 1.888 282 HE2 LYS 34 2HE LYS 34 -0.066 14.164 3.843 283 HE3 LYS 34 3HE LYS 34 1.406 13.328 4.343 284 HZ1 LYS 34 3HZ LYS 34 2.464 14.067 2.294 285 HZ2 LYS 34 1HZ LYS 34 1.914 15.383 3.206 286 HZ3 LYS 34 2HZ LYS 34 1.053 14.884 1.841 287 H VAL 35 H VAL 35 -4.246 10.830 2.941 288 HA VAL 35 HA VAL 35 -3.494 8.027 2.366 289 HB VAL 35 HB VAL 35 -6.210 9.300 1.948 290 HG11 VAL 35 1HG1 VAL 35 -5.293 6.454 1.491 291 HG12 VAL 35 2HG1 VAL 35 -5.725 7.623 0.241 292 HG13 VAL 35 3HG1 VAL 35 -6.956 7.029 1.357 293 HG21 VAL 35 3HG2 VAL 35 -6.973 7.765 3.716 294 HG22 VAL 35 1HG2 VAL 35 -5.764 8.903 4.310 295 HG23 VAL 35 2HG2 VAL 35 -5.308 7.236 3.962 296 H GLU 36 H GLU 36 -2.317 7.945 0.559 297 HA GLU 36 HA GLU 36 -3.107 9.657 -1.731 298 HB2 GLU 36 2HB GLU 36 -0.740 9.388 -2.530 299 HB3 GLU 36 3HB GLU 36 -0.912 10.317 -1.050 300 HG2 GLU 36 2HG GLU 36 -0.318 7.391 -0.885 301 HG3 GLU 36 3HG GLU 36 0.971 8.520 -1.299 302 H ILE 37 H ILE 37 -2.430 8.685 -3.903 303 HA ILE 37 HA ILE 37 -3.068 5.802 -3.945 304 HB ILE 37 HB ILE 37 -3.305 7.806 -6.210 305 HG12 ILE 37 2HG1 ILE 37 -5.460 6.538 -4.483 306 HG13 ILE 37 3HG1 ILE 37 -4.952 8.223 -4.416 307 HG21 ILE 37 1HG2 ILE 37 -4.545 5.992 -7.356 308 HG22 ILE 37 2HG2 ILE 37 -4.156 4.908 -6.017 309 HG23 ILE 37 3HG2 ILE 37 -2.866 5.560 -7.027 310 HD11 ILE 37 3HD1 ILE 37 -5.750 8.557 -6.696 311 HD12 ILE 37 1HD1 ILE 37 -7.033 7.972 -5.636 312 HD13 ILE 37 2HD1 ILE 37 -6.255 6.866 -6.768 313 H ALA 38 H ALA 38 -1.366 4.495 -4.274 314 HA ALA 38 HA ALA 38 0.970 5.527 -5.765 315 HB1 ALA 38 3HB ALA 38 1.423 5.003 -3.419 316 HB2 ALA 38 1HB ALA 38 2.332 3.952 -4.506 317 HB3 ALA 38 2HB ALA 38 0.892 3.342 -3.687 318 H GLU 39 H GLU 39 2.159 4.052 -7.096 319 HA GLU 39 HA GLU 39 0.458 2.071 -8.436 320 HB2 GLU 39 2HB GLU 39 3.143 3.207 -9.275 321 HB3 GLU 39 3HB GLU 39 2.102 2.180 -10.253 322 HG2 GLU 39 2HG GLU 39 0.399 3.922 -10.303 323 HG3 GLU 39 3HG GLU 39 1.404 4.946 -9.278 324 H ILE 40 H ILE 40 0.750 -0.067 -8.092 325 HA ILE 40 HA ILE 40 2.821 -0.983 -6.323 326 HB ILE 40 HB ILE 40 0.848 -2.628 -7.923 327 HG12 ILE 40 2HG1 ILE 40 0.679 -1.635 -5.058 328 HG13 ILE 40 3HG1 ILE 40 -0.262 -1.011 -6.409 329 HG21 ILE 40 1HG2 ILE 40 2.524 -3.358 -5.514 330 HG22 ILE 40 2HG2 ILE 40 2.754 -3.946 -7.162 331 HG23 ILE 40 3HG2 ILE 40 1.303 -4.389 -6.262 332 HD11 ILE 40 3HD1 ILE 40 -1.598 -2.505 -5.077 333 HD12 ILE 40 1HD1 ILE 40 -0.405 -3.792 -5.263 334 HD13 ILE 40 2HD1 ILE 40 -1.312 -3.220 -6.665 335 H ARG 41 H ARG 41 4.845 -1.311 -6.967 336 HA ARG 41 HA ARG 41 5.517 -1.927 -9.714 337 HB2 ARG 41 2HB ARG 41 7.349 -1.770 -7.305 338 HB3 ARG 41 3HB ARG 41 7.832 -1.734 -8.996 339 HG2 ARG 41 2HG ARG 41 6.192 0.375 -7.589 340 HG3 ARG 41 3HG ARG 41 7.907 0.489 -7.984 341 HD2 ARG 41 2HD ARG 41 5.661 0.209 -9.987 342 HD3 ARG 41 3HD ARG 41 6.493 1.711 -9.587 343 HE ARG 41 HE ARG 41 7.981 -0.576 -10.687 344 HH11 ARG 41 1HH1 ARG 41 6.903 2.684 -10.966 345 HH12 ARG 41 2HH1 ARG 41 7.986 3.037 -12.267 346 HH21 ARG 41 1HH2 ARG 41 9.331 -0.109 -12.382 347 HH22 ARG 41 2HH2 ARG 41 9.330 1.483 -13.060 348 H ASN 42 H ASN 42 5.701 -3.587 -6.569 349 HA ASN 42 HA ASN 42 5.803 -6.168 -7.976 350 HB2 ASN 42 2HB ASN 42 7.644 -5.413 -5.687 351 HB3 ASN 42 3HB ASN 42 7.493 -7.027 -6.376 352 HD21 ASN 42 1HD2 ASN 42 8.748 -3.840 -6.820 353 HD22 ASN 42 2HD2 ASN 42 9.713 -4.197 -8.206 354 H VAL 43 H VAL 43 4.814 -7.887 -6.895 355 HA VAL 43 HA VAL 43 3.207 -7.131 -4.528 356 HB VAL 43 HB VAL 43 1.645 -8.915 -5.174 357 HG11 VAL 43 1HG1 VAL 43 0.745 -7.861 -7.215 358 HG12 VAL 43 2HG1 VAL 43 2.261 -6.976 -7.408 359 HG13 VAL 43 3HG1 VAL 43 1.233 -6.672 -6.005 360 HG21 VAL 43 3HG2 VAL 43 3.190 -10.454 -6.262 361 HG22 VAL 43 1HG2 VAL 43 3.457 -9.296 -7.567 362 HG23 VAL 43 2HG2 VAL 43 1.871 -10.042 -7.359 363 H VAL 44 H VAL 44 6.025 -8.320 -4.732 364 HA VAL 44 HA VAL 44 5.675 -10.917 -3.441 365 HB VAL 44 HB VAL 44 7.316 -10.833 -5.210 366 HG11 VAL 44 1HG1 VAL 44 7.920 -8.488 -5.148 367 HG12 VAL 44 2HG1 VAL 44 9.370 -9.487 -5.046 368 HG13 VAL 44 3HG1 VAL 44 8.730 -8.709 -3.597 369 HG21 VAL 44 3HG2 VAL 44 9.237 -11.794 -4.083 370 HG22 VAL 44 1HG2 VAL 44 7.747 -12.335 -3.308 371 HG23 VAL 44 2HG2 VAL 44 8.731 -11.079 -2.554 372 H GLU 45 H GLU 45 5.278 -10.864 -1.317 373 HA GLU 45 HA GLU 45 6.444 -8.845 0.430 374 HB2 GLU 45 2HB GLU 45 5.106 -9.892 2.197 375 HB3 GLU 45 3HB GLU 45 4.112 -9.571 0.781 376 HG2 GLU 45 2HG GLU 45 4.121 -11.876 0.159 377 HG3 GLU 45 3HG GLU 45 5.341 -12.257 1.369 378 H ASN 46 H ASN 46 8.218 -10.754 -0.893 379 HA ASN 46 HA ASN 46 9.933 -12.185 -0.576 380 HB2 ASN 46 2HB ASN 46 10.619 -10.425 1.039 381 HB3 ASN 46 3HB ASN 46 9.782 -11.297 2.318 382 HD21 ASN 46 1HD2 ASN 46 10.667 -13.208 3.100 383 HD22 ASN 46 2HD2 ASN 46 12.300 -13.663 2.768 384 H THR 47 H THR 47 8.232 -13.835 -1.040 385 HA THR 47 HA THR 47 7.556 -15.606 1.184 386 HB THR 47 HB THR 47 6.417 -16.993 -0.556 387 HG1 THR 47 HG1 THR 47 6.228 -15.963 -2.680 388 HG21 THR 47 3HG2 THR 47 4.625 -15.402 -1.075 389 HG22 THR 47 1HG2 THR 47 5.678 -14.060 -0.629 390 HG23 THR 47 2HG2 THR 47 5.165 -15.224 0.594 391 H ALA 48 H ALA 48 8.761 -16.464 -2.044 392 HA ALA 48 HA ALA 48 10.854 -18.156 -0.896 393 HB1 ALA 48 3HB ALA 48 9.528 -19.019 -2.780 394 HB2 ALA 48 1HB ALA 48 11.229 -18.865 -3.221 395 HB3 ALA 48 2HB ALA 48 10.062 -17.669 -3.781 396 H ASN 49 H ASN 49 12.516 -17.542 -3.417 397 HA ASN 49 HA ASN 49 14.071 -15.379 -2.422 398 HB2 ASN 49 2HB ASN 49 14.044 -16.595 -5.195 399 HB3 ASN 49 3HB ASN 49 15.317 -15.573 -4.525 400 HD21 ASN 49 1HD2 ASN 49 16.695 -16.421 -2.965 401 HD22 ASN 49 2HD2 ASN 49 16.803 -18.118 -2.659 402 HA PRO 50 HA PRO 50 11.925 -11.778 -3.486 403 HB2 PRO 50 2HB PRO 50 13.908 -10.233 -4.723 404 HB3 PRO 50 3HB PRO 50 13.611 -10.356 -2.988 405 HG2 PRO 50 2HG PRO 50 15.615 -11.800 -4.676 406 HG3 PRO 50 3HG PRO 50 15.788 -11.147 -3.035 407 HD2 PRO 50 2HD PRO 50 15.456 -13.768 -3.437 408 HD3 PRO 50 3HD PRO 50 14.667 -12.951 -2.067 409 H HIS 51 H HIS 51 13.678 -13.219 -6.209 410 HA HIS 51 HA HIS 51 11.991 -11.706 -8.094 411 HB2 HIS 51 2HB HIS 51 14.498 -13.322 -8.606 412 HB3 HIS 51 3HB HIS 51 13.614 -12.396 -9.819 413 HD1 HIS 51 HD1 HIS 51 16.403 -12.109 -7.595 414 HD2 HIS 51 HD2 HIS 51 13.488 -9.502 -8.999 415 HE1 HIS 51 HE1 HIS 51 17.293 -9.801 -7.157 416 HE2 HIS 51 HE2 HIS 51 15.425 -8.259 -7.828 417 H PHE 52 H PHE 52 11.562 -14.445 -6.505 418 HA PHE 52 HA PHE 52 10.582 -15.981 -8.826 419 HB2 PHE 52 2HB PHE 52 11.303 -16.793 -6.010 420 HB3 PHE 52 3HB PHE 52 10.326 -17.834 -7.042 421 HD1 PHE 52 HD2 PHE 52 13.579 -16.013 -6.964 422 HD2 PHE 52 HD1 PHE 52 11.368 -19.306 -8.524 423 HE1 PHE 52 HE2 PHE 52 15.622 -16.889 -8.011 424 HE2 PHE 52 HE1 PHE 52 13.414 -20.185 -9.571 425 HZ PHE 52 HZ PHE 52 15.544 -18.975 -9.315 426 H VAL 53 H VAL 53 9.107 -13.754 -8.187 427 HA VAL 53 HA VAL 53 6.859 -14.565 -6.532 428 HB VAL 53 HB VAL 53 7.538 -12.279 -6.291 429 HG11 VAL 53 1HG1 VAL 53 8.615 -11.959 -8.463 430 HG12 VAL 53 2HG1 VAL 53 7.484 -10.652 -8.115 431 HG13 VAL 53 3HG1 VAL 53 7.037 -11.925 -9.249 432 HG21 VAL 53 3HG2 VAL 53 5.437 -11.096 -6.764 433 HG22 VAL 53 1HG2 VAL 53 5.142 -12.700 -6.093 434 HG23 VAL 53 2HG2 VAL 53 4.933 -12.415 -7.821 435 H ARG 54 H ARG 54 5.765 -16.181 -7.560 436 HA ARG 54 HA ARG 54 4.813 -15.764 -10.297 437 HB2 ARG 54 2HB ARG 54 4.696 -18.153 -8.451 438 HB3 ARG 54 3HB ARG 54 3.885 -18.109 -10.010 439 HG2 ARG 54 2HG ARG 54 6.853 -17.799 -9.576 440 HG3 ARG 54 3HG ARG 54 6.041 -19.265 -10.128 441 HD2 ARG 54 2HD ARG 54 5.225 -18.043 -12.111 442 HD3 ARG 54 3HD ARG 54 6.075 -16.601 -11.557 443 HE ARG 54 HE ARG 54 7.663 -19.008 -11.979 444 HH11 ARG 54 1HH1 ARG 54 6.608 -15.966 -13.203 445 HH12 ARG 54 2HH1 ARG 54 7.938 -15.824 -14.298 446 HH21 ARG 54 1HH2 ARG 54 9.352 -18.821 -13.392 447 HH22 ARG 54 2HH2 ARG 54 9.478 -17.422 -14.398 448 H ARG 55 H ARG 55 3.491 -16.234 -7.017 449 HA ARG 55 HA ARG 55 0.772 -16.150 -7.822 450 HB2 ARG 55 2HB ARG 55 0.206 -15.947 -5.494 451 HB3 ARG 55 3HB ARG 55 1.555 -17.067 -5.629 452 HG2 ARG 55 2HG ARG 55 3.092 -15.472 -4.796 453 HG3 ARG 55 3HG ARG 55 1.929 -14.157 -4.965 454 HD2 ARG 55 2HD ARG 55 0.502 -15.341 -3.247 455 HD3 ARG 55 3HD ARG 55 1.866 -16.432 -2.980 456 HE ARG 55 HE ARG 55 2.988 -14.008 -2.669 457 HH11 ARG 55 1HH1 ARG 55 0.168 -15.421 -1.259 458 HH12 ARG 55 2HH1 ARG 55 0.291 -14.463 0.175 459 HH21 ARG 55 1HH2 ARG 55 3.088 -12.773 -0.866 460 HH22 ARG 55 2HH2 ARG 55 1.906 -12.956 0.384 461 H ASN 56 H ASN 56 -0.465 -14.480 -8.417 462 HA ASN 56 HA ASN 56 0.399 -11.743 -7.745 463 HB2 ASN 56 2HB ASN 56 -1.286 -11.089 -9.555 464 HB3 ASN 56 3HB ASN 56 0.172 -11.916 -10.094 465 HD21 ASN 56 1HD2 ASN 56 -0.798 -12.631 -11.974 466 HD22 ASN 56 2HD2 ASN 56 -1.984 -13.887 -11.986 467 H ILE 57 H ILE 57 -1.228 -13.861 -6.192 468 HA ILE 57 HA ILE 57 -3.781 -12.558 -5.787 469 HB ILE 57 HB ILE 57 -2.541 -14.868 -4.261 470 HG12 ILE 57 2HG1 ILE 57 -4.341 -16.189 -5.530 471 HG13 ILE 57 3HG1 ILE 57 -4.477 -14.787 -6.586 472 HG21 ILE 57 1HG2 ILE 57 -5.359 -13.779 -4.215 473 HG22 ILE 57 2HG2 ILE 57 -4.183 -13.714 -2.901 474 HG23 ILE 57 3HG2 ILE 57 -4.831 -15.267 -3.428 475 HD11 ILE 57 3HD1 ILE 57 -1.976 -16.398 -6.132 476 HD12 ILE 57 1HD1 ILE 57 -2.151 -15.033 -7.233 477 HD13 ILE 57 2HD1 ILE 57 -3.047 -16.520 -7.528 478 H ILE 58 H ILE 58 -3.471 -10.567 -4.886 479 HA ILE 58 HA ILE 58 -1.699 -10.153 -2.648 480 HB ILE 58 HB ILE 58 -3.781 -8.302 -3.843 481 HG12 ILE 58 2HG1 ILE 58 -0.786 -8.456 -4.312 482 HG13 ILE 58 3HG1 ILE 58 -2.028 -8.941 -5.461 483 HG21 ILE 58 1HG2 ILE 58 -3.207 -7.679 -1.556 484 HG22 ILE 58 2HG2 ILE 58 -2.558 -6.510 -2.704 485 HG23 ILE 58 3HG2 ILE 58 -1.493 -7.703 -1.965 486 HD11 ILE 58 3HD1 ILE 58 -2.813 -6.623 -5.572 487 HD12 ILE 58 1HD1 ILE 58 -1.119 -6.774 -6.031 488 HD13 ILE 58 2HD1 ILE 58 -1.546 -6.149 -4.442 489 H THR 59 H THR 59 -2.277 -11.014 -0.716 490 HA THR 59 HA THR 59 -5.101 -11.096 0.068 491 HB THR 59 HB THR 59 -3.803 -13.158 0.367 492 HG1 THR 59 HG1 THR 59 -4.860 -13.576 2.165 493 HG21 THR 59 3HG2 THR 59 -2.161 -11.555 2.345 494 HG22 THR 59 1HG2 THR 59 -1.594 -12.190 0.799 495 HG23 THR 59 2HG2 THR 59 -2.051 -13.299 2.094 496 H ARG 60 H ARG 60 -5.786 -10.386 2.200 497 HA ARG 60 HA ARG 60 -4.937 -7.758 2.801 498 HB2 ARG 60 2HB ARG 60 -7.221 -8.539 3.206 499 HB3 ARG 60 3HB ARG 60 -6.636 -9.665 4.424 500 HG2 ARG 60 2HG ARG 60 -5.847 -7.748 5.770 501 HG3 ARG 60 3HG ARG 60 -6.534 -6.654 4.569 502 HD2 ARG 60 2HD ARG 60 -8.758 -7.571 4.996 503 HD3 ARG 60 3HD ARG 60 -8.078 -8.693 6.175 504 HE ARG 60 HE ARG 60 -8.118 -5.760 6.495 505 HH11 ARG 60 1HH1 ARG 60 -8.145 -8.936 7.813 506 HH12 ARG 60 2HH1 ARG 60 -8.403 -8.380 9.428 507 HH21 ARG 60 1HH2 ARG 60 -8.462 -5.054 8.584 508 HH22 ARG 60 2HH2 ARG 60 -8.580 -6.218 9.859 509 H GLY 61 H GLY 61 -3.152 -7.154 3.862 510 HA2 GLY 61 2HA GLY 61 -1.891 -7.168 5.956 511 HA3 GLY 61 3HA GLY 61 -2.068 -8.917 5.986 512 H ALA 62 H ALA 62 -1.549 -8.693 2.921 513 HA ALA 62 HA ALA 62 1.212 -9.355 3.000 514 HB1 ALA 62 3HB ALA 62 -0.504 -8.675 0.604 515 HB2 ALA 62 1HB ALA 62 -0.337 -10.275 1.330 516 HB3 ALA 62 2HB ALA 62 1.055 -9.503 0.570 517 H VAL 63 H VAL 63 3.001 -8.261 2.088 518 HA VAL 63 HA VAL 63 2.745 -5.327 2.073 519 HB VAL 63 HB VAL 63 5.242 -7.016 2.389 520 HG11 VAL 63 1HG1 VAL 63 6.327 -4.908 3.047 521 HG12 VAL 63 2HG1 VAL 63 4.843 -4.032 2.673 522 HG13 VAL 63 3HG1 VAL 63 5.732 -4.849 1.387 523 HG21 VAL 63 3HG2 VAL 63 3.729 -7.235 4.307 524 HG22 VAL 63 1HG2 VAL 63 3.670 -5.479 4.469 525 HG23 VAL 63 2HG2 VAL 63 5.185 -6.340 4.742 526 H VAL 64 H VAL 64 2.622 -4.427 0.115 527 HA VAL 64 HA VAL 64 3.992 -5.707 -2.160 528 HB VAL 64 HB VAL 64 2.550 -4.334 -3.617 529 HG11 VAL 64 1HG1 VAL 64 1.831 -6.581 -2.969 530 HG12 VAL 64 2HG1 VAL 64 0.450 -5.506 -3.182 531 HG13 VAL 64 3HG1 VAL 64 1.002 -5.916 -1.559 532 HG21 VAL 64 3HG2 VAL 64 2.196 -2.405 -2.167 533 HG22 VAL 64 1HG2 VAL 64 1.267 -3.396 -1.040 534 HG23 VAL 64 2HG2 VAL 64 0.648 -3.088 -2.664 535 H GLU 65 H GLU 65 5.434 -4.604 -3.445 536 HA GLU 65 HA GLU 65 6.663 -2.212 -2.317 537 HB2 GLU 65 2HB GLU 65 8.085 -4.074 -3.079 538 HB3 GLU 65 3HB GLU 65 7.433 -3.917 -4.704 539 HG2 GLU 65 2HG GLU 65 9.581 -2.908 -4.686 540 HG3 GLU 65 3HG GLU 65 8.388 -1.619 -4.800 541 H THR 66 H THR 66 5.995 -0.231 -2.934 542 HA THR 66 HA THR 66 4.772 0.094 -5.616 543 HB THR 66 HB THR 66 3.387 1.874 -4.762 544 HG1 THR 66 HG1 THR 66 4.380 1.457 -2.138 545 HG21 THR 66 3HG2 THR 66 1.984 0.675 -3.156 546 HG22 THR 66 1HG2 THR 66 3.300 -0.456 -2.833 547 HG23 THR 66 2HG2 THR 66 2.542 -0.417 -4.425 548 H ASN 67 H ASN 67 4.771 2.548 -6.243 549 HA ASN 67 HA ASN 67 7.463 3.322 -6.658 550 HB2 ASN 67 2HB ASN 67 6.497 5.360 -7.690 551 HB3 ASN 67 3HB ASN 67 5.738 3.881 -8.272 552 HD21 ASN 67 1HD2 ASN 67 4.719 6.599 -8.252 553 HD22 ASN 67 2HD2 ASN 67 3.247 6.555 -7.357 554 H LEU 68 H LEU 68 5.422 3.854 -3.988 555 HA LEU 68 HA LEU 68 7.024 6.145 -3.043 556 HB2 LEU 68 2HB LEU 68 4.444 5.004 -1.947 557 HB3 LEU 68 3HB LEU 68 5.262 6.435 -1.347 558 HG LEU 68 HG LEU 68 4.010 6.142 -4.088 559 HD11 LEU 68 1HD1 LEU 68 2.388 7.792 -3.271 560 HD12 LEU 68 2HD1 LEU 68 3.133 7.732 -1.672 561 HD13 LEU 68 3HD1 LEU 68 2.337 6.301 -2.331 562 HD21 LEU 68 3HD2 LEU 68 4.481 8.546 -4.325 563 HD22 LEU 68 1HD2 LEU 68 5.958 7.594 -4.171 564 HD23 LEU 68 2HD2 LEU 68 5.358 8.518 -2.792 565 H GLY 69 H GLY 69 6.600 2.773 -2.614 566 HA2 GLY 69 2HA GLY 69 8.627 1.931 -1.244 567 HA3 GLY 69 3HA GLY 69 7.846 2.810 0.061 568 H ASN 70 H ASN 70 7.807 0.722 1.168 569 HA ASN 70 HA ASN 70 6.234 -1.433 0.089 570 HB2 ASN 70 2HB ASN 70 7.095 -1.105 2.965 571 HB3 ASN 70 3HB ASN 70 6.701 -2.596 2.120 572 HD21 ASN 70 1HD2 ASN 70 8.237 -1.691 -0.291 573 HD22 ASN 70 2HD2 ASN 70 9.888 -1.931 0.149 574 H VAL 71 H VAL 71 4.123 -1.960 0.527 575 HA VAL 71 HA VAL 71 2.625 -0.232 2.403 576 HB VAL 71 HB VAL 71 1.677 -1.092 -0.344 577 HG11 VAL 71 1HG1 VAL 71 -0.160 -0.986 1.257 578 HG12 VAL 71 2HG1 VAL 71 -0.265 0.339 0.096 579 HG13 VAL 71 3HG1 VAL 71 0.331 0.642 1.728 580 HG21 VAL 71 3HG2 VAL 71 1.777 1.285 -0.921 581 HG22 VAL 71 1HG2 VAL 71 3.368 0.672 -0.464 582 HG23 VAL 71 2HG2 VAL 71 2.439 1.648 0.674 583 H ARG 72 H ARG 72 1.417 -1.345 3.855 584 HA ARG 72 HA ARG 72 1.064 -4.229 3.481 585 HB2 ARG 72 2HB ARG 72 1.917 -3.289 5.662 586 HB3 ARG 72 3HB ARG 72 0.328 -2.581 5.912 587 HG2 ARG 72 2HG ARG 72 -0.681 -4.808 5.876 588 HG3 ARG 72 3HG ARG 72 0.904 -5.530 5.602 589 HD2 ARG 72 2HD ARG 72 -0.003 -4.005 8.046 590 HD3 ARG 72 3HD ARG 72 0.320 -5.735 7.939 591 HE ARG 72 HE ARG 72 2.242 -3.619 8.258 592 HH11 ARG 72 1HH1 ARG 72 1.823 -6.838 7.090 593 HH12 ARG 72 2HH1 ARG 72 3.461 -7.281 7.413 594 HH21 ARG 72 1HH2 ARG 72 4.347 -4.194 8.633 595 HH22 ARG 72 2HH2 ARG 72 4.881 -5.798 8.269 596 H VAL 73 H VAL 73 -0.709 -4.914 2.493 597 HA VAL 73 HA VAL 73 -2.923 -3.309 1.870 598 HB VAL 73 HB VAL 73 -2.781 -6.330 1.876 599 HG11 VAL 73 1HG1 VAL 73 -4.597 -4.464 0.342 600 HG12 VAL 73 2HG1 VAL 73 -5.076 -5.511 1.674 601 HG13 VAL 73 3HG1 VAL 73 -4.526 -6.215 0.156 602 HG21 VAL 73 3HG2 VAL 73 -2.133 -6.092 -0.488 603 HG22 VAL 73 1HG2 VAL 73 -0.950 -5.370 0.598 604 HG23 VAL 73 2HG2 VAL 73 -2.076 -4.343 -0.289 605 H THR 74 H THR 74 -4.567 -2.651 3.067 606 HA THR 74 HA THR 74 -5.192 -3.975 5.608 607 HB THR 74 HB THR 74 -6.527 -1.961 6.103 608 HG1 THR 74 HG1 THR 74 -6.536 -0.247 4.611 609 HG21 THR 74 3HG2 THR 74 -4.150 -1.984 6.702 610 HG22 THR 74 1HG2 THR 74 -4.673 -0.361 6.249 611 HG23 THR 74 2HG2 THR 74 -3.737 -1.335 5.114 612 H SER 75 H SER 75 -6.657 -3.271 2.492 613 HA SER 75 HA SER 75 -9.219 -4.421 3.423 614 HB2 SER 75 2HB SER 75 -9.360 -2.113 2.536 615 HB3 SER 75 3HB SER 75 -8.698 -2.668 0.999 616 HG SER 75 HG SER 75 -11.039 -2.502 1.091 617 H ARG 76 H ARG 76 -10.438 -5.210 1.197 618 HA ARG 76 HA ARG 76 -8.802 -7.467 0.273 619 HB2 ARG 76 2HB ARG 76 -11.769 -6.965 0.388 620 HB3 ARG 76 3HB ARG 76 -11.113 -8.244 -0.623 621 HG2 ARG 76 2HG ARG 76 -10.728 -8.003 2.361 622 HG3 ARG 76 3HG ARG 76 -11.870 -9.079 1.552 623 HD2 ARG 76 2HD ARG 76 -9.815 -10.006 0.311 624 HD3 ARG 76 3HD ARG 76 -8.863 -9.177 1.539 625 HE ARG 76 HE ARG 76 -10.036 -10.572 3.198 626 HH11 ARG 76 1HH1 ARG 76 -9.998 -11.575 -0.093 627 HH12 ARG 76 2HH1 ARG 76 -10.218 -13.245 0.296 628 HH21 ARG 76 1HH2 ARG 76 -10.337 -12.726 3.688 629 HH22 ARG 76 2HH2 ARG 76 -10.412 -13.888 2.409 630 HA PRO 77 HA PRO 77 -8.229 -5.260 -3.655 631 HB2 PRO 77 2HB PRO 77 -7.178 -7.956 -4.376 632 HB3 PRO 77 3HB PRO 77 -6.447 -6.362 -4.605 633 HG2 PRO 77 2HG PRO 77 -5.570 -7.986 -2.704 634 HG3 PRO 77 3HG PRO 77 -5.699 -6.244 -2.411 635 HD2 PRO 77 2HD PRO 77 -7.499 -8.463 -1.494 636 HD3 PRO 77 3HD PRO 77 -6.979 -7.001 -0.626 637 H GLY 78 H GLY 78 -9.905 -5.022 -4.986 638 HA2 GLY 78 2HA GLY 78 -10.973 -6.228 -6.945 639 HA3 GLY 78 3HA GLY 78 -11.489 -7.407 -5.751 640 H GLN 79 H GLN 79 -12.037 -5.410 -3.705 641 HA GLN 79 HA GLN 79 -14.748 -4.873 -4.236 642 HB2 GLN 79 2HB GLN 79 -12.959 -3.519 -2.198 643 HB3 GLN 79 3HB GLN 79 -14.716 -3.560 -2.169 644 HG2 GLN 79 2HG GLN 79 -12.898 -5.952 -1.913 645 HG3 GLN 79 3HG GLN 79 -13.730 -5.142 -0.587 646 HE21 GLN 79 1HE2 GLN 79 -13.912 -7.912 -1.536 647 HE22 GLN 79 2HE2 GLN 79 -15.577 -8.180 -1.895 648 H ASP 80 H ASP 80 -15.563 -3.436 -5.628 649 HA ASP 80 HA ASP 80 -15.836 -1.628 -6.983 650 HB2 ASP 80 2HB ASP 80 -14.182 -0.250 -4.847 651 HB3 ASP 80 3HB ASP 80 -15.055 0.584 -6.130 652 H GLY 81 H GLY 81 -13.305 -3.369 -7.068 653 HA2 GLY 81 2HA GLY 81 -11.465 -3.572 -8.419 654 HA3 GLY 81 3HA GLY 81 -12.072 -2.193 -9.320 655 H VAL 82 H VAL 82 -11.088 -2.266 -5.896 656 HA VAL 82 HA VAL 82 -8.625 -0.826 -6.556 657 HB VAL 82 HB VAL 82 -10.429 0.888 -6.259 658 HG11 VAL 82 1HG1 VAL 82 -11.268 1.365 -4.012 659 HG12 VAL 82 2HG1 VAL 82 -10.436 -0.060 -3.391 660 HG13 VAL 82 3HG1 VAL 82 -11.753 -0.243 -4.550 661 HG21 VAL 82 3HG2 VAL 82 -8.092 1.478 -5.910 662 HG22 VAL 82 1HG2 VAL 82 -8.193 0.954 -4.226 663 HG23 VAL 82 2HG2 VAL 82 -9.123 2.350 -4.774 664 H ILE 83 H ILE 83 -7.157 -0.576 -4.702 665 HA ILE 83 HA ILE 83 -7.577 -2.595 -2.578 666 HB ILE 83 HB ILE 83 -4.899 -1.872 -3.802 667 HG12 ILE 83 2HG1 ILE 83 -6.626 -4.308 -4.352 668 HG13 ILE 83 3HG1 ILE 83 -6.325 -2.990 -5.480 669 HG21 ILE 83 1HG2 ILE 83 -5.709 -4.143 -1.974 670 HG22 ILE 83 2HG2 ILE 83 -4.800 -2.706 -1.501 671 HG23 ILE 83 3HG2 ILE 83 -4.093 -3.862 -2.627 672 HD11 ILE 83 3HD1 ILE 83 -4.271 -4.905 -4.399 673 HD12 ILE 83 1HD1 ILE 83 -3.944 -3.564 -5.495 674 HD13 ILE 83 2HD1 ILE 83 -4.959 -4.904 -6.021 675 H ASN 84 H ASN 84 -6.805 -2.047 -0.483 676 HA ASN 84 HA ASN 84 -5.823 0.726 -0.135 677 HB2 ASN 84 2HB ASN 84 -7.644 -0.856 1.702 678 HB3 ASN 84 3HB ASN 84 -6.956 0.718 2.087 679 HD21 ASN 84 1HD2 ASN 84 -7.713 2.536 1.016 680 HD22 ASN 84 2HD2 ASN 84 -9.208 2.535 0.156 681 H GLY 85 H GLY 85 -4.217 1.090 1.483 682 HA2 GLY 85 2HA GLY 85 -3.271 -1.026 3.176 683 HA3 GLY 85 3HA GLY 85 -2.224 -0.798 1.786 684 H VAL 86 H VAL 86 -1.201 -0.488 4.305 685 HA VAL 86 HA VAL 86 -1.042 2.412 4.830 686 HB VAL 86 HB VAL 86 0.117 0.158 6.490 687 HG11 VAL 86 1HG1 VAL 86 1.149 2.342 6.882 688 HG12 VAL 86 2HG1 VAL 86 0.211 1.823 8.281 689 HG13 VAL 86 3HG1 VAL 86 -0.439 3.046 7.190 690 HG21 VAL 86 3HG2 VAL 86 -1.822 0.403 7.962 691 HG22 VAL 86 1HG2 VAL 86 -2.300 -0.103 6.342 692 HG23 VAL 86 2HG2 VAL 86 -2.527 1.573 6.844 693 H LEU 87 H LEU 87 0.888 3.570 4.644 694 HA LEU 87 HA LEU 87 2.984 2.382 3.052 695 HB2 LEU 87 2HB LEU 87 2.255 4.725 2.735 696 HB3 LEU 87 3HB LEU 87 2.865 5.118 4.330 697 HG LEU 87 HG LEU 87 5.154 4.577 3.597 698 HD11 LEU 87 1HD1 LEU 87 3.899 4.115 0.888 699 HD12 LEU 87 2HD1 LEU 87 4.647 2.889 1.911 700 HD13 LEU 87 3HD1 LEU 87 5.629 4.182 1.224 701 HD21 LEU 87 3HD2 LEU 87 4.358 6.875 3.403 702 HD22 LEU 87 1HD2 LEU 87 3.730 6.535 1.790 703 HD23 LEU 87 2HD2 LEU 87 5.468 6.486 2.089 704 H ILE 88 H ILE 88 4.374 1.031 4.016 705 HA ILE 88 HA ILE 88 5.666 1.879 6.539 706 HB ILE 88 HB ILE 88 5.769 -0.439 7.285 707 HG12 ILE 88 2HG1 ILE 88 4.241 -1.026 4.739 708 HG13 ILE 88 3HG1 ILE 88 5.854 -1.588 5.152 709 HG21 ILE 88 1HG2 ILE 88 3.383 -0.801 7.772 710 HG22 ILE 88 2HG2 ILE 88 2.961 0.404 6.557 711 HG23 ILE 88 3HG2 ILE 88 3.856 0.884 7.999 712 HD11 ILE 88 3HD1 ILE 88 4.230 -3.358 5.397 713 HD12 ILE 88 1HD1 ILE 88 3.296 -2.377 6.528 714 HD13 ILE 88 2HD1 ILE 88 4.917 -2.929 6.966 715 H ARG 89 H ARG 89 7.647 0.178 6.853 716 HA ARG 89 HA ARG 89 9.082 -0.040 4.287 717 HB2 ARG 89 2HB ARG 89 10.411 1.018 6.794 718 HB3 ARG 89 3HB ARG 89 11.080 0.957 5.171 719 HG2 ARG 89 2HG ARG 89 8.754 2.680 6.015 720 HG3 ARG 89 3HG ARG 89 10.423 3.231 5.886 721 HD2 ARG 89 2HD ARG 89 10.431 2.846 3.511 722 HD3 ARG 89 3HD ARG 89 8.848 2.068 3.581 723 HE ARG 89 HE ARG 89 8.542 4.628 4.610 724 HH11 ARG 89 1HH1 ARG 89 9.445 3.242 1.580 725 HH12 ARG 89 2HH1 ARG 89 8.764 4.546 0.667 726 HH21 ARG 89 1HH2 ARG 89 7.700 6.282 3.435 727 HH22 ARG 89 2HH2 ARG 89 7.809 6.264 1.706 728 H GLU 90 H GLU 90 8.426 -2.324 4.634 729 HA GLU 90 HA GLU 90 9.635 -3.811 6.796 730 HB2 GLU 90 2HB GLU 90 8.255 -4.770 4.273 731 HB3 GLU 90 3HB GLU 90 8.746 -5.807 5.605 732 HG2 GLU 90 2HG GLU 90 6.740 -3.567 5.788 733 HG3 GLU 90 3HG GLU 90 6.351 -5.279 5.636 734 H LEU 91 H LEU 91 10.158 -3.547 3.296 735 HA LEU 91 HA LEU 91 12.405 -5.300 3.246 736 HB2 LEU 91 2HB LEU 91 11.576 -3.192 1.238 737 HB3 LEU 91 3HB LEU 91 12.710 -4.500 0.949 738 HG LEU 91 HG LEU 91 9.752 -4.822 1.514 739 HD11 LEU 91 1HD1 LEU 91 9.616 -5.579 -0.812 740 HD12 LEU 91 2HD1 LEU 91 11.323 -5.202 -1.037 741 HD13 LEU 91 3HD1 LEU 91 10.171 -3.910 -0.703 742 HD21 LEU 91 3HD2 LEU 91 11.041 -6.690 2.417 743 HD22 LEU 91 1HD2 LEU 91 11.845 -6.905 0.860 744 HD23 LEU 91 2HD2 LEU 91 10.111 -7.193 1.006 745 H GLU 92 H GLU 92 14.490 -4.273 2.082 746 HA GLU 92 HA GLU 92 15.767 -2.769 4.105 747 HB2 GLU 92 2HB GLU 92 16.730 -3.282 1.278 748 HB3 GLU 92 3HB GLU 92 17.726 -2.787 2.645 749 HG2 GLU 92 2HG GLU 92 17.174 -4.888 3.796 750 HG3 GLU 92 3HG GLU 92 16.217 -5.389 2.404 751 H HIS 93 H HIS 93 14.751 -0.840 4.442 752 HA HIS 93 HA HIS 93 13.949 0.982 2.456 753 HB2 HIS 93 2HB HIS 93 13.914 2.644 4.395 754 HB3 HIS 93 3HB HIS 93 12.912 1.206 4.553 755 HD1 HIS 93 HD1 HIS 93 13.776 -0.653 6.238 756 HD2 HIS 93 HD2 HIS 93 15.852 2.952 6.358 757 HE1 HIS 93 HE1 HIS 93 15.072 -0.690 8.381 758 HE2 HIS 93 HE2 HIS 93 16.429 1.422 8.360 759 H HIS 94 H HIS 94 15.092 2.226 1.159 760 HA HIS 94 HA HIS 94 17.967 2.400 1.532 761 HB2 HIS 94 2HB HIS 94 17.015 1.725 -0.644 762 HB3 HIS 94 3HB HIS 94 16.238 3.297 -0.788 763 HD1 HIS 94 HD1 HIS 94 17.948 5.392 -0.951 764 HD2 HIS 94 HD2 HIS 94 19.565 1.621 -1.624 765 HE1 HIS 94 HE1 HIS 94 20.141 5.793 -2.104 766 HE2 HIS 94 HE2 HIS 94 20.994 3.501 -2.677 767 H HIS 95 H HIS 95 18.022 3.926 3.294 768 HA HIS 95 HA HIS 95 18.587 6.550 2.429 769 HB2 HIS 95 2HB HIS 95 16.106 6.751 2.421 770 HB3 HIS 95 3HB HIS 95 16.084 6.354 4.136 771 HD1 HIS 95 HD1 HIS 95 16.061 8.337 5.642 772 HD2 HIS 95 HD2 HIS 95 17.723 9.232 1.938 773 HE1 HIS 95 HE1 HIS 95 16.526 10.803 5.693 774 HE2 HIS 95 HE2 HIS 95 17.402 11.344 3.400 775 H HIS 96 H HIS 96 20.197 7.226 3.712 776 HA HIS 96 HA HIS 96 20.660 5.940 6.277 777 HB2 HIS 96 2HB HIS 96 22.264 8.041 4.796 778 HB3 HIS 96 3HB HIS 96 22.782 7.225 6.269 779 HD1 HIS 96 HD1 HIS 96 23.456 7.093 2.847 780 HD2 HIS 96 HD2 HIS 96 22.562 4.177 5.671 781 HE1 HIS 96 HE1 HIS 96 24.320 4.941 1.891 782 HE2 HIS 96 HE2 HIS 96 23.932 3.235 3.694 783 H HIS 97 H HIS 97 20.372 6.810 8.263 784 HA HIS 97 HA HIS 97 19.964 9.638 8.681 785 HB2 HIS 97 2HB HIS 97 17.753 8.898 7.841 786 HB3 HIS 97 3HB HIS 97 17.666 7.711 9.136 787 HD1 HIS 97 HD1 HIS 97 16.378 8.474 11.119 788 HD2 HIS 97 HD2 HIS 97 17.987 11.665 8.994 789 HE1 HIS 97 HE1 HIS 97 15.542 10.536 12.267 790 HE2 HIS 97 HE2 HIS 97 16.717 12.433 11.113 791 H HIS 98 H HIS 98 19.911 10.220 10.929 792 HA HIS 98 HA HIS 98 20.928 8.139 12.733 793 HB2 HIS 98 2HB HIS 98 20.824 11.152 13.054 794 HB3 HIS 98 3HB HIS 98 21.504 10.037 14.235 795 HD1 HIS 98 HD1 HIS 98 23.009 8.235 12.124 796 HD2 HIS 98 HD2 HIS 98 23.215 12.371 12.382 797 HE1 HIS 98 HE1 HIS 98 25.162 8.865 11.008 798 HE2 HIS 98 HE2 HIS 98 25.185 11.379 11.033 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -29.050 -17.971 -23.122 2 H2 GLY 1 2H GLY 1 -30.107 -19.259 -22.853 3 H3 GLY 1 3H GLY 1 -28.553 -19.295 -22.196 4 HA2 GLY 1 2HA GLY 1 -30.187 -18.761 -20.493 5 HA3 GLY 1 3HA GLY 1 -29.057 -17.442 -20.753 6 H ASP 2 H ASP 2 -31.141 -16.552 -19.540 7 HA ASP 2 HA ASP 2 -33.262 -15.800 -21.386 8 HB2 ASP 2 2HB ASP 2 -34.307 -14.758 -19.399 9 HB3 ASP 2 3HB ASP 2 -33.911 -16.454 -19.146 10 H ARG 3 H ARG 3 -34.035 -13.388 -21.144 11 HA ARG 3 HA ARG 3 -31.656 -11.719 -21.716 12 HB2 ARG 3 2HB ARG 3 -34.414 -11.526 -22.949 13 HB3 ARG 3 3HB ARG 3 -33.050 -10.480 -23.323 14 HG2 ARG 3 2HG ARG 3 -33.224 -13.446 -23.846 15 HG3 ARG 3 3HG ARG 3 -33.338 -12.159 -25.049 16 HD2 ARG 3 2HD ARG 3 -31.035 -11.480 -24.535 17 HD3 ARG 3 3HD ARG 3 -30.927 -12.764 -23.328 18 HE ARG 3 HE ARG 3 -31.192 -13.195 -26.234 19 HH11 ARG 3 1HH1 ARG 3 -30.157 -14.224 -23.115 20 HH12 ARG 3 2HH1 ARG 3 -29.362 -15.632 -23.722 21 HH21 ARG 3 1HH2 ARG 3 -30.156 -15.007 -27.004 22 HH22 ARG 3 2HH2 ARG 3 -29.378 -16.082 -25.894 23 H ARG 4 H ARG 4 -31.406 -9.805 -20.713 24 HA ARG 4 HA ARG 4 -33.708 -8.650 -19.254 25 HB2 ARG 4 2HB ARG 4 -30.773 -8.343 -18.537 26 HB3 ARG 4 3HB ARG 4 -32.133 -7.649 -17.665 27 HG2 ARG 4 2HG ARG 4 -31.637 -9.479 -16.362 28 HG3 ARG 4 3HG ARG 4 -32.898 -10.130 -17.409 29 HD2 ARG 4 2HD ARG 4 -31.045 -10.975 -18.912 30 HD3 ARG 4 3HD ARG 4 -29.914 -10.529 -17.635 31 HE ARG 4 HE ARG 4 -31.985 -12.606 -17.454 32 HH11 ARG 4 1HH1 ARG 4 -29.127 -11.138 -16.198 33 HH12 ARG 4 2HH1 ARG 4 -28.783 -12.471 -15.153 34 HH21 ARG 4 1HH2 ARG 4 -31.528 -14.294 -16.139 35 HH22 ARG 4 2HH2 ARG 4 -30.120 -14.246 -15.126 36 H VAL 5 H VAL 5 -33.661 -6.246 -19.073 37 HA VAL 5 HA VAL 5 -33.191 -5.017 -21.600 38 HB VAL 5 HB VAL 5 -33.802 -3.710 -18.932 39 HG11 VAL 5 1HG1 VAL 5 -34.594 -1.807 -20.285 40 HG12 VAL 5 2HG1 VAL 5 -34.006 -2.611 -21.740 41 HG13 VAL 5 3HG1 VAL 5 -32.868 -2.099 -20.493 42 HG21 VAL 5 3HG2 VAL 5 -35.524 -5.305 -19.582 43 HG22 VAL 5 1HG2 VAL 5 -35.639 -4.562 -21.177 44 HG23 VAL 5 2HG2 VAL 5 -36.128 -3.656 -19.745 45 H ARG 6 H ARG 6 -31.126 -4.839 -22.284 46 HA ARG 6 HA ARG 6 -28.999 -4.031 -20.470 47 HB2 ARG 6 2HB ARG 6 -28.945 -4.718 -23.417 48 HB3 ARG 6 3HB ARG 6 -27.525 -4.369 -22.439 49 HG2 ARG 6 2HG ARG 6 -28.011 -6.318 -21.032 50 HG3 ARG 6 3HG ARG 6 -29.430 -6.673 -22.021 51 HD2 ARG 6 2HD ARG 6 -27.481 -8.057 -22.637 52 HD3 ARG 6 3HD ARG 6 -28.027 -7.035 -23.967 53 HE ARG 6 HE ARG 6 -25.840 -6.048 -22.301 54 HH11 ARG 6 1HH1 ARG 6 -26.814 -7.513 -25.265 55 HH12 ARG 6 2HH1 ARG 6 -25.373 -7.054 -26.093 56 HH21 ARG 6 1HH2 ARG 6 -24.000 -5.450 -23.381 57 HH22 ARG 6 2HH2 ARG 6 -23.797 -5.897 -25.039 58 H LEU 7 H LEU 7 -29.339 -1.885 -19.965 59 HA LEU 7 HA LEU 7 -29.316 0.029 -22.215 60 HB2 LEU 7 2HB LEU 7 -30.384 1.620 -20.511 61 HB3 LEU 7 3HB LEU 7 -31.378 0.354 -21.201 62 HG LEU 7 HG LEU 7 -31.009 -0.988 -19.110 63 HD11 LEU 7 1HD1 LEU 7 -28.971 0.028 -18.290 64 HD12 LEU 7 2HD1 LEU 7 -30.253 0.190 -17.091 65 HD13 LEU 7 3HD1 LEU 7 -29.795 1.575 -18.083 66 HD21 LEU 7 3HD2 LEU 7 -33.059 0.265 -19.464 67 HD22 LEU 7 1HD2 LEU 7 -32.317 1.711 -18.781 68 HD23 LEU 7 2HD2 LEU 7 -32.600 0.299 -17.762 69 H ILE 8 H ILE 8 -27.158 -1.243 -20.286 70 HA ILE 8 HA ILE 8 -25.940 1.001 -19.028 71 HB ILE 8 HB ILE 8 -25.381 -1.181 -18.210 72 HG12 ILE 8 2HG1 ILE 8 -22.966 0.022 -19.595 73 HG13 ILE 8 3HG1 ILE 8 -23.634 0.561 -18.058 74 HG21 ILE 8 1HG2 ILE 8 -25.693 -2.475 -20.246 75 HG22 ILE 8 2HG2 ILE 8 -24.121 -2.827 -19.526 76 HG23 ILE 8 3HG2 ILE 8 -24.229 -1.774 -20.938 77 HD11 ILE 8 3HD1 ILE 8 -22.373 -2.106 -18.635 78 HD12 ILE 8 1HD1 ILE 8 -23.121 -1.649 -17.103 79 HD13 ILE 8 2HD1 ILE 8 -21.693 -0.789 -17.678 80 H ARG 9 H ARG 9 -25.044 2.680 -20.009 81 HA ARG 9 HA ARG 9 -23.958 2.341 -22.730 82 HB2 ARG 9 2HB ARG 9 -24.713 4.853 -22.960 83 HB3 ARG 9 3HB ARG 9 -25.843 3.543 -23.234 84 HG2 ARG 9 2HG ARG 9 -26.861 5.338 -21.943 85 HG3 ARG 9 3HG ARG 9 -26.780 3.849 -21.006 86 HD2 ARG 9 2HD ARG 9 -24.851 4.689 -19.787 87 HD3 ARG 9 3HD ARG 9 -24.833 6.148 -20.775 88 HE ARG 9 HE ARG 9 -26.364 7.018 -19.345 89 HH11 ARG 9 1HH1 ARG 9 -26.822 3.591 -19.292 90 HH12 ARG 9 2HH1 ARG 9 -27.940 3.660 -17.983 91 HH21 ARG 9 1HH2 ARG 9 -27.814 7.064 -17.667 92 HH22 ARG 9 2HH2 ARG 9 -28.492 5.584 -17.082 93 H THR 10 H THR 10 -22.408 3.978 -23.428 94 HA THR 10 HA THR 10 -20.334 4.278 -21.468 95 HB THR 10 HB THR 10 -19.636 3.711 -23.675 96 HG1 THR 10 HG1 THR 10 -18.968 6.470 -23.314 97 HG21 THR 10 3HG2 THR 10 -20.984 6.240 -24.636 98 HG22 THR 10 1HG2 THR 10 -21.535 4.592 -24.934 99 HG23 THR 10 2HG2 THR 10 -20.014 5.151 -25.628 100 H ARG 11 H ARG 11 -20.549 5.828 -19.952 101 HA ARG 11 HA ARG 11 -20.517 8.597 -20.864 102 HB2 ARG 11 2HB ARG 11 -22.574 7.500 -18.944 103 HB3 ARG 11 3HB ARG 11 -22.123 9.199 -18.930 104 HG2 ARG 11 2HG ARG 11 -23.297 7.699 -21.272 105 HG3 ARG 11 3HG ARG 11 -24.154 8.833 -20.225 106 HD2 ARG 11 2HD ARG 11 -22.774 10.655 -20.968 107 HD3 ARG 11 3HD ARG 11 -21.729 9.556 -21.866 108 HE ARG 11 HE ARG 11 -24.481 9.513 -22.716 109 HH11 ARG 11 1HH1 ARG 11 -21.397 11.007 -23.108 110 HH12 ARG 11 2HH1 ARG 11 -21.755 11.591 -24.695 111 HH21 ARG 11 1HH2 ARG 11 -24.924 10.267 -24.779 112 HH22 ARG 11 2HH2 ARG 11 -23.721 11.175 -25.625 113 H GLY 12 H GLY 12 -19.454 10.026 -19.486 114 HA2 GLY 12 2HA GLY 12 -17.404 8.898 -17.875 115 HA3 GLY 12 3HA GLY 12 -17.759 10.608 -18.053 116 H GLY 13 H GLY 13 -18.352 7.732 -16.165 117 HA2 GLY 13 2HA GLY 13 -18.318 8.591 -13.686 118 HA3 GLY 13 3HA GLY 13 -19.862 9.277 -14.166 119 H ASN 14 H ASN 14 -18.139 6.151 -14.210 120 HA ASN 14 HA ASN 14 -20.417 4.833 -12.993 121 HB2 ASN 14 2HB ASN 14 -20.970 4.819 -15.428 122 HB3 ASN 14 3HB ASN 14 -19.476 3.941 -15.738 123 HD21 ASN 14 1HD2 ASN 14 -22.679 3.756 -14.418 124 HD22 ASN 14 2HD2 ASN 14 -22.730 2.037 -14.272 125 H THR 15 H THR 15 -17.721 3.581 -14.990 126 HA THR 15 HA THR 15 -16.252 2.750 -12.621 127 HB THR 15 HB THR 15 -17.791 0.857 -12.892 128 HG1 THR 15 HG1 THR 15 -15.344 -0.153 -13.855 129 HG21 THR 15 3HG2 THR 15 -18.220 1.070 -15.315 130 HG22 THR 15 1HG2 THR 15 -17.722 -0.567 -14.880 131 HG23 THR 15 2HG2 THR 15 -16.572 0.531 -15.647 132 H LYS 16 H LYS 16 -14.124 1.999 -13.058 133 HA LYS 16 HA LYS 16 -13.057 2.827 -15.671 134 HB2 LYS 16 2HB LYS 16 -11.595 2.149 -13.102 135 HB3 LYS 16 3HB LYS 16 -10.861 2.799 -14.559 136 HG2 LYS 16 2HG LYS 16 -13.025 4.324 -13.153 137 HG3 LYS 16 3HG LYS 16 -11.371 4.365 -12.549 138 HD2 LYS 16 2HD LYS 16 -11.627 6.264 -13.953 139 HD3 LYS 16 3HD LYS 16 -10.657 5.105 -14.856 140 HE2 LYS 16 2HE LYS 16 -12.600 4.462 -16.169 141 HE3 LYS 16 3HE LYS 16 -13.632 5.521 -15.208 142 HZ1 LYS 16 3HZ LYS 16 -11.359 6.422 -16.902 143 HZ2 LYS 16 1HZ LYS 16 -12.407 7.420 -16.025 144 HZ3 LYS 16 2HZ LYS 16 -12.988 6.515 -17.334 145 H VAL 17 H VAL 17 -10.945 1.395 -16.195 146 HA VAL 17 HA VAL 17 -11.854 -1.302 -16.615 147 HB VAL 17 HB VAL 17 -10.429 -0.128 -18.269 148 HG11 VAL 17 1HG1 VAL 17 -8.234 -0.454 -16.223 149 HG12 VAL 17 2HG1 VAL 17 -8.960 1.070 -16.736 150 HG13 VAL 17 3HG1 VAL 17 -8.025 0.109 -17.883 151 HG21 VAL 17 3HG2 VAL 17 -8.966 -2.020 -18.803 152 HG22 VAL 17 1HG2 VAL 17 -10.556 -2.578 -18.280 153 HG23 VAL 17 2HG2 VAL 17 -9.186 -2.660 -17.174 154 H ARG 18 H ARG 18 -10.750 -3.229 -15.872 155 HA ARG 18 HA ARG 18 -10.314 -3.259 -13.089 156 HB2 ARG 18 2HB ARG 18 -9.640 -5.361 -15.158 157 HB3 ARG 18 3HB ARG 18 -9.722 -5.631 -13.421 158 HG2 ARG 18 2HG ARG 18 -12.095 -5.126 -13.415 159 HG3 ARG 18 3HG ARG 18 -12.038 -4.727 -15.134 160 HD2 ARG 18 2HD ARG 18 -11.380 -7.042 -15.637 161 HD3 ARG 18 3HD ARG 18 -11.479 -7.435 -13.918 162 HE ARG 18 HE ARG 18 -13.891 -6.334 -15.091 163 HH11 ARG 18 1HH1 ARG 18 -12.163 -9.183 -14.199 164 HH12 ARG 18 2HH1 ARG 18 -13.577 -10.175 -14.232 165 HH21 ARG 18 1HH2 ARG 18 -15.679 -7.625 -15.152 166 HH22 ARG 18 2HH2 ARG 18 -15.537 -9.310 -14.764 167 H LEU 19 H LEU 19 -8.363 -4.184 -12.012 168 HA LEU 19 HA LEU 19 -6.240 -2.376 -12.369 169 HB2 LEU 19 2HB LEU 19 -5.214 -3.373 -10.482 170 HB3 LEU 19 3HB LEU 19 -6.943 -3.383 -10.205 171 HG LEU 19 HG LEU 19 -5.339 -5.790 -11.105 172 HD11 LEU 19 1HD1 LEU 19 -5.664 -6.619 -8.814 173 HD12 LEU 19 2HD1 LEU 19 -6.377 -5.068 -8.366 174 HD13 LEU 19 3HD1 LEU 19 -4.687 -5.153 -8.865 175 HD21 LEU 19 3HD2 LEU 19 -7.665 -5.915 -11.812 176 HD22 LEU 19 1HD2 LEU 19 -8.203 -5.563 -10.170 177 HD23 LEU 19 2HD2 LEU 19 -7.351 -7.067 -10.516 178 H ALA 20 H ALA 20 -6.735 -4.881 -14.378 179 HA ALA 20 HA ALA 20 -4.478 -6.421 -14.575 180 HB1 ALA 20 3HB ALA 20 -4.952 -6.632 -16.963 181 HB2 ALA 20 1HB ALA 20 -6.012 -5.224 -16.883 182 HB3 ALA 20 2HB ALA 20 -6.435 -6.699 -16.011 183 H SER 21 H SER 21 -4.909 -3.286 -16.273 184 HA SER 21 HA SER 21 -1.963 -3.027 -16.407 185 HB2 SER 21 2HB SER 21 -4.089 -1.663 -18.091 186 HB3 SER 21 3HB SER 21 -2.351 -1.410 -18.247 187 HG SER 21 HG SER 21 -3.229 -2.946 -19.754 188 H ASP 22 H ASP 22 -4.162 -2.248 -14.335 189 HA ASP 22 HA ASP 22 -3.173 0.475 -13.803 190 HB2 ASP 22 2HB ASP 22 -6.034 -0.499 -13.830 191 HB3 ASP 22 3HB ASP 22 -5.552 0.942 -12.940 192 H THR 23 H THR 23 -2.114 -1.823 -12.600 193 HA THR 23 HA THR 23 -3.411 -2.498 -10.150 194 HB THR 23 HB THR 23 -0.465 -2.759 -10.827 195 HG1 THR 23 HG1 THR 23 -2.703 -4.132 -11.684 196 HG21 THR 23 3HG2 THR 23 -2.153 -4.299 -8.844 197 HG22 THR 23 1HG2 THR 23 -1.001 -3.030 -8.429 198 HG23 THR 23 2HG2 THR 23 -0.432 -4.529 -9.162 199 H ARG 24 H ARG 24 -3.735 -1.099 -8.537 200 HA ARG 24 HA ARG 24 -1.596 0.641 -7.593 201 HB2 ARG 24 2HB ARG 24 -4.250 1.693 -8.610 202 HB3 ARG 24 3HB ARG 24 -3.170 2.628 -7.585 203 HG2 ARG 24 2HG ARG 24 -1.448 2.586 -9.281 204 HG3 ARG 24 3HG ARG 24 -2.431 1.532 -10.300 205 HD2 ARG 24 2HD ARG 24 -3.137 4.351 -9.469 206 HD3 ARG 24 3HD ARG 24 -2.524 3.868 -11.051 207 HE ARG 24 HE ARG 24 -5.141 3.071 -9.950 208 HH11 ARG 24 1HH1 ARG 24 -3.082 3.753 -12.630 209 HH12 ARG 24 2HH1 ARG 24 -4.341 3.496 -13.788 210 HH21 ARG 24 1HH2 ARG 24 -6.746 2.762 -11.463 211 HH22 ARG 24 2HH2 ARG 24 -6.366 2.947 -13.142 212 H ILE 25 H ILE 25 -2.209 1.768 -5.553 213 HA ILE 25 HA ILE 25 -4.386 0.540 -4.043 214 HB ILE 25 HB ILE 25 -2.533 -1.013 -3.713 215 HG12 ILE 25 2HG1 ILE 25 -2.943 0.669 -1.221 216 HG13 ILE 25 3HG1 ILE 25 -4.079 -0.536 -1.817 217 HG21 ILE 25 1HG2 ILE 25 -0.442 -0.326 -2.652 218 HG22 ILE 25 2HG2 ILE 25 -0.980 1.353 -2.661 219 HG23 ILE 25 3HG2 ILE 25 -0.684 0.515 -4.185 220 HD11 ILE 25 3HD1 ILE 25 -2.736 -1.404 0.010 221 HD12 ILE 25 1HD1 ILE 25 -1.262 -1.078 -0.901 222 HD13 ILE 25 2HD1 ILE 25 -2.410 -2.282 -1.484 223 H ASN 26 H ASN 26 -5.322 2.004 -2.717 224 HA ASN 26 HA ASN 26 -4.344 4.612 -2.267 225 HB2 ASN 26 2HB ASN 26 -6.411 3.043 -0.691 226 HB3 ASN 26 3HB ASN 26 -6.151 4.781 -0.576 227 HD21 ASN 26 1HD2 ASN 26 -8.554 3.364 -1.329 228 HD22 ASN 26 2HD2 ASN 26 -8.954 3.911 -2.921 229 H VAL 27 H VAL 27 -2.434 4.863 -1.280 230 HA VAL 27 HA VAL 27 -1.601 3.148 0.903 231 HB VAL 27 HB VAL 27 -0.194 5.502 -0.380 232 HG11 VAL 27 1HG1 VAL 27 0.862 3.384 1.501 233 HG12 VAL 27 2HG1 VAL 27 0.640 5.094 1.867 234 HG13 VAL 27 3HG1 VAL 27 1.838 4.597 0.673 235 HG21 VAL 27 3HG2 VAL 27 -0.586 3.692 -1.966 236 HG22 VAL 27 1HG2 VAL 27 0.136 2.534 -0.848 237 HG23 VAL 27 2HG2 VAL 27 1.126 3.806 -1.562 238 H VAL 28 H VAL 28 -2.030 3.582 2.970 239 HA VAL 28 HA VAL 28 -2.726 6.306 3.799 240 HB VAL 28 HB VAL 28 -2.821 3.741 5.417 241 HG11 VAL 28 1HG1 VAL 28 -2.609 5.736 6.818 242 HG12 VAL 28 2HG1 VAL 28 -4.221 5.035 6.972 243 HG13 VAL 28 3HG1 VAL 28 -3.979 6.479 5.989 244 HG21 VAL 28 3HG2 VAL 28 -5.266 3.850 5.073 245 HG22 VAL 28 1HG2 VAL 28 -4.390 3.628 3.557 246 HG23 VAL 28 2HG2 VAL 28 -5.039 5.213 3.978 247 H ASP 29 H ASP 29 -1.017 7.529 4.226 248 HA ASP 29 HA ASP 29 1.512 6.551 5.136 249 HB2 ASP 29 2HB ASP 29 1.141 8.542 3.654 250 HB3 ASP 29 3HB ASP 29 0.462 9.395 5.034 251 HA PRO 30 HA PRO 30 0.110 6.638 9.454 252 HB2 PRO 30 2HB PRO 30 2.163 5.271 10.527 253 HB3 PRO 30 3HB PRO 30 0.932 4.475 9.538 254 HG2 PRO 30 2HG PRO 30 3.679 5.394 8.754 255 HG3 PRO 30 3HG PRO 30 2.866 3.861 8.388 256 HD2 PRO 30 2HD PRO 30 2.996 5.944 6.623 257 HD3 PRO 30 3HD PRO 30 1.667 4.769 6.644 258 H GLU 31 H GLU 31 2.859 8.168 8.104 259 HA GLU 31 HA GLU 31 3.862 9.234 10.623 260 HB2 GLU 31 2HB GLU 31 4.725 9.757 7.769 261 HB3 GLU 31 3HB GLU 31 5.564 10.332 9.203 262 HG2 GLU 31 2HG GLU 31 5.147 7.438 8.467 263 HG3 GLU 31 3HG GLU 31 6.631 8.356 8.219 264 H THR 32 H THR 32 2.073 10.346 7.817 265 HA THR 32 HA THR 32 1.756 13.021 9.044 266 HB THR 32 HB THR 32 1.221 13.805 6.692 267 HG1 THR 32 HG1 THR 32 2.310 11.245 6.030 268 HG21 THR 32 3HG2 THR 32 3.978 12.639 7.145 269 HG22 THR 32 1HG2 THR 32 3.417 14.216 7.707 270 HG23 THR 32 2HG2 THR 32 3.573 13.899 5.978 271 H GLY 33 H GLY 33 0.079 10.249 7.747 272 HA2 GLY 33 2HA GLY 33 -2.143 9.670 8.194 273 HA3 GLY 33 3HA GLY 33 -2.458 11.314 8.713 274 H LYS 34 H LYS 34 -0.882 11.049 5.679 275 HA LYS 34 HA LYS 34 -3.311 11.911 4.302 276 HB2 LYS 34 2HB LYS 34 -1.828 12.407 2.408 277 HB3 LYS 34 3HB LYS 34 -1.249 13.163 3.887 278 HG2 LYS 34 2HG LYS 34 0.485 11.543 4.135 279 HG3 LYS 34 3HG LYS 34 -0.185 10.544 2.846 280 HD2 LYS 34 2HD LYS 34 0.330 12.288 1.210 281 HD3 LYS 34 3HD LYS 34 0.964 13.319 2.497 282 HE2 LYS 34 2HE LYS 34 2.064 10.592 1.801 283 HE3 LYS 34 3HE LYS 34 2.723 12.111 1.196 284 HZ1 LYS 34 3HZ LYS 34 3.427 12.732 3.312 285 HZ2 LYS 34 1HZ LYS 34 3.808 11.087 3.236 286 HZ3 LYS 34 2HZ LYS 34 2.446 11.599 4.094 287 H VAL 35 H VAL 35 -4.126 10.911 2.410 288 HA VAL 35 HA VAL 35 -3.273 8.113 1.984 289 HB VAL 35 HB VAL 35 -6.023 9.303 1.532 290 HG11 VAL 35 1HG1 VAL 35 -5.040 6.464 1.178 291 HG12 VAL 35 2HG1 VAL 35 -5.534 7.567 -0.108 292 HG13 VAL 35 3HG1 VAL 35 -6.722 6.985 1.059 293 HG21 VAL 35 3HG2 VAL 35 -6.732 7.851 3.382 294 HG22 VAL 35 1HG2 VAL 35 -5.512 9.013 3.907 295 HG23 VAL 35 2HG2 VAL 35 -5.062 7.333 3.617 296 H GLU 36 H GLU 36 -2.296 7.756 0.079 297 HA GLU 36 HA GLU 36 -3.079 9.380 -2.258 298 HB2 GLU 36 2HB GLU 36 -1.024 10.359 -1.376 299 HB3 GLU 36 3HB GLU 36 -0.235 8.786 -1.397 300 HG2 GLU 36 2HG GLU 36 -0.231 8.727 -3.778 301 HG3 GLU 36 3HG GLU 36 -1.287 10.134 -3.875 302 H ILE 37 H ILE 37 -3.227 8.297 -4.169 303 HA ILE 37 HA ILE 37 -3.187 5.415 -4.078 304 HB ILE 37 HB ILE 37 -3.650 7.185 -6.492 305 HG12 ILE 37 2HG1 ILE 37 -5.658 6.056 -4.518 306 HG13 ILE 37 3HG1 ILE 37 -5.207 7.750 -4.663 307 HG21 ILE 37 1HG2 ILE 37 -4.863 5.224 -7.368 308 HG22 ILE 37 2HG2 ILE 37 -4.405 4.309 -5.932 309 HG23 ILE 37 3HG2 ILE 37 -3.166 4.862 -7.058 310 HD11 ILE 37 3HD1 ILE 37 -7.347 7.283 -5.722 311 HD12 ILE 37 1HD1 ILE 37 -6.574 6.110 -6.786 312 HD13 ILE 37 2HD1 ILE 37 -6.154 7.820 -6.903 313 H ALA 38 H ALA 38 -1.346 4.303 -4.285 314 HA ALA 38 HA ALA 38 0.752 5.303 -6.114 315 HB1 ALA 38 3HB ALA 38 2.347 4.054 -4.761 316 HB2 ALA 38 1HB ALA 38 1.037 3.454 -3.744 317 HB3 ALA 38 2HB ALA 38 1.427 5.175 -3.759 318 H GLU 39 H GLU 39 1.704 3.886 -7.601 319 HA GLU 39 HA GLU 39 0.088 1.627 -8.409 320 HB2 GLU 39 2HB GLU 39 2.773 2.420 -9.563 321 HB3 GLU 39 3HB GLU 39 1.525 1.445 -10.322 322 HG2 GLU 39 2HG GLU 39 1.327 3.482 -11.394 323 HG3 GLU 39 3HG GLU 39 0.065 3.562 -10.166 324 H ILE 40 H ILE 40 0.489 -0.518 -8.060 325 HA ILE 40 HA ILE 40 2.655 -1.203 -6.252 326 HB ILE 40 HB ILE 40 0.563 -2.973 -7.535 327 HG12 ILE 40 2HG1 ILE 40 0.710 -1.804 -4.741 328 HG13 ILE 40 3HG1 ILE 40 -0.378 -1.265 -6.015 329 HG21 ILE 40 1HG2 ILE 40 2.501 -3.575 -5.301 330 HG22 ILE 40 2HG2 ILE 40 2.535 -4.258 -6.927 331 HG23 ILE 40 3HG2 ILE 40 1.198 -4.636 -5.840 332 HD11 ILE 40 3HD1 ILE 40 -1.464 -3.459 -5.998 333 HD12 ILE 40 1HD1 ILE 40 -1.537 -2.666 -4.425 334 HD13 ILE 40 2HD1 ILE 40 -0.385 -3.973 -4.701 335 H ARG 41 H ARG 41 4.616 -1.453 -7.055 336 HA ARG 41 HA ARG 41 5.039 -2.222 -9.821 337 HB2 ARG 41 2HB ARG 41 7.218 -1.698 -7.803 338 HB3 ARG 41 3HB ARG 41 7.256 -1.463 -9.550 339 HG2 ARG 41 2HG ARG 41 5.406 0.295 -9.132 340 HG3 ARG 41 3HG ARG 41 5.924 0.219 -7.450 341 HD2 ARG 41 2HD ARG 41 7.069 2.043 -8.474 342 HD3 ARG 41 3HD ARG 41 8.249 0.753 -8.237 343 HE ARG 41 HE ARG 41 8.473 0.581 -10.505 344 HH11 ARG 41 1HH1 ARG 41 5.635 2.427 -9.836 345 HH12 ARG 41 2HH1 ARG 41 5.390 2.859 -11.489 346 HH21 ARG 41 1HH2 ARG 41 8.153 1.143 -12.621 347 HH22 ARG 41 2HH2 ARG 41 6.805 2.136 -13.047 348 H ASN 42 H ASN 42 5.718 -3.526 -6.610 349 HA ASN 42 HA ASN 42 6.348 -6.138 -7.846 350 HB2 ASN 42 2HB ASN 42 8.225 -5.259 -6.531 351 HB3 ASN 42 3HB ASN 42 7.170 -5.068 -5.134 352 HD21 ASN 42 1HD2 ASN 42 8.443 -6.426 -3.886 353 HD22 ASN 42 2HD2 ASN 42 8.432 -8.137 -4.100 354 H VAL 43 H VAL 43 4.863 -7.675 -7.597 355 HA VAL 43 HA VAL 43 2.562 -7.124 -5.877 356 HB VAL 43 HB VAL 43 2.284 -7.622 -8.314 357 HG11 VAL 43 1HG1 VAL 43 3.995 -9.324 -8.578 358 HG12 VAL 43 2HG1 VAL 43 2.426 -9.954 -9.078 359 HG13 VAL 43 3HG1 VAL 43 3.104 -10.417 -7.517 360 HG21 VAL 43 3HG2 VAL 43 0.410 -7.872 -6.768 361 HG22 VAL 43 1HG2 VAL 43 0.888 -9.534 -6.436 362 HG23 VAL 43 2HG2 VAL 43 0.337 -9.080 -8.048 363 H VAL 44 H VAL 44 5.311 -8.526 -5.134 364 HA VAL 44 HA VAL 44 4.038 -10.609 -3.494 365 HB VAL 44 HB VAL 44 5.042 -11.734 -5.451 366 HG11 VAL 44 1HG1 VAL 44 7.665 -10.621 -4.446 367 HG12 VAL 44 2HG1 VAL 44 6.840 -10.153 -5.932 368 HG13 VAL 44 3HG1 VAL 44 7.473 -11.791 -5.754 369 HG21 VAL 44 3HG2 VAL 44 4.908 -12.919 -3.314 370 HG22 VAL 44 1HG2 VAL 44 6.498 -12.302 -2.861 371 HG23 VAL 44 2HG2 VAL 44 6.337 -13.414 -4.222 372 H GLU 45 H GLU 45 4.953 -10.956 -1.481 373 HA GLU 45 HA GLU 45 6.605 -8.882 -0.375 374 HB2 GLU 45 2HB GLU 45 6.400 -10.180 1.727 375 HB3 GLU 45 3HB GLU 45 4.843 -9.884 0.968 376 HG2 GLU 45 2HG GLU 45 4.845 -12.169 0.077 377 HG3 GLU 45 3HG GLU 45 6.402 -12.463 0.851 378 H ASN 46 H ASN 46 8.284 -10.225 1.415 379 HA ASN 46 HA ASN 46 10.511 -10.791 -0.286 380 HB2 ASN 46 2HB ASN 46 10.770 -9.661 1.889 381 HB3 ASN 46 3HB ASN 46 10.255 -11.129 2.714 382 HD21 ASN 46 1HD2 ASN 46 12.345 -11.122 -0.113 383 HD22 ASN 46 2HD2 ASN 46 13.756 -11.666 0.721 384 H THR 47 H THR 47 9.470 -12.590 -1.454 385 HA THR 47 HA THR 47 10.577 -15.088 -0.768 386 HB THR 47 HB THR 47 8.751 -15.202 0.895 387 HG1 THR 47 HG1 THR 47 8.758 -17.254 0.428 388 HG21 THR 47 3HG2 THR 47 6.900 -15.002 -1.490 389 HG22 THR 47 1HG2 THR 47 7.101 -13.782 -0.229 390 HG23 THR 47 2HG2 THR 47 6.412 -15.355 0.167 391 H ALA 48 H ALA 48 9.382 -16.892 -2.203 392 HA ALA 48 HA ALA 48 8.659 -15.664 -4.797 393 HB1 ALA 48 3HB ALA 48 10.208 -18.225 -4.375 394 HB2 ALA 48 1HB ALA 48 10.893 -16.679 -4.879 395 HB3 ALA 48 2HB ALA 48 9.756 -17.524 -5.929 396 H ASN 49 H ASN 49 8.446 -18.787 -3.037 397 HA ASN 49 HA ASN 49 5.596 -18.882 -3.364 398 HB2 ASN 49 2HB ASN 49 5.573 -20.996 -4.718 399 HB3 ASN 49 3HB ASN 49 6.103 -19.568 -5.598 400 HD21 ASN 49 1HD2 ASN 49 7.031 -22.646 -4.327 401 HD22 ASN 49 2HD2 ASN 49 8.581 -22.716 -5.085 402 HA PRO 50 HA PRO 50 6.815 -21.419 0.311 403 HB2 PRO 50 2HB PRO 50 4.278 -20.222 1.278 404 HB3 PRO 50 3HB PRO 50 5.851 -20.314 2.078 405 HG2 PRO 50 2HG PRO 50 4.919 -17.993 1.114 406 HG3 PRO 50 3HG PRO 50 6.644 -18.399 1.033 407 HD2 PRO 50 2HD PRO 50 4.560 -18.536 -1.128 408 HD3 PRO 50 3HD PRO 50 6.242 -17.962 -1.219 409 H HIS 51 H HIS 51 3.676 -20.787 -1.214 410 HA HIS 51 HA HIS 51 3.281 -23.682 -1.534 411 HB2 HIS 51 2HB HIS 51 1.165 -21.718 -0.600 412 HB3 HIS 51 3HB HIS 51 0.829 -23.369 -1.109 413 HD1 HIS 51 HD1 HIS 51 1.666 -21.388 1.803 414 HD2 HIS 51 HD2 HIS 51 2.137 -25.344 0.640 415 HE1 HIS 51 HE1 HIS 51 2.130 -22.654 3.915 416 HE2 HIS 51 HE2 HIS 51 2.623 -25.000 3.153 417 H PHE 52 H PHE 52 1.417 -24.049 -3.197 418 HA PHE 52 HA PHE 52 2.107 -22.606 -5.574 419 HB2 PHE 52 2HB PHE 52 -0.041 -24.685 -5.085 420 HB3 PHE 52 3HB PHE 52 0.376 -24.037 -6.666 421 HD1 PHE 52 HD2 PHE 52 2.909 -24.230 -7.326 422 HD2 PHE 52 HD1 PHE 52 1.005 -26.627 -4.363 423 HE1 PHE 52 HE2 PHE 52 4.674 -25.923 -7.567 424 HE2 PHE 52 HE1 PHE 52 2.772 -28.323 -4.601 425 HZ PHE 52 HZ PHE 52 4.607 -27.974 -6.203 426 H VAL 53 H VAL 53 1.542 -20.460 -5.169 427 HA VAL 53 HA VAL 53 -1.354 -19.865 -5.117 428 HB VAL 53 HB VAL 53 0.927 -18.069 -4.238 429 HG11 VAL 53 1HG1 VAL 53 -0.825 -16.608 -3.344 430 HG12 VAL 53 2HG1 VAL 53 -2.061 -17.679 -4.005 431 HG13 VAL 53 3HG1 VAL 53 -0.979 -16.804 -5.090 432 HG21 VAL 53 3HG2 VAL 53 0.126 -18.435 -1.953 433 HG22 VAL 53 1HG2 VAL 53 0.639 -19.949 -2.698 434 HG23 VAL 53 2HG2 VAL 53 -1.079 -19.577 -2.549 435 H ARG 54 H ARG 54 -2.224 -18.728 -6.773 436 HA ARG 54 HA ARG 54 -0.769 -18.338 -9.176 437 HB2 ARG 54 2HB ARG 54 -3.516 -17.402 -8.332 438 HB3 ARG 54 3HB ARG 54 -2.871 -17.196 -9.955 439 HG2 ARG 54 2HG ARG 54 -2.682 -19.617 -10.204 440 HG3 ARG 54 3HG ARG 54 -3.301 -19.842 -8.567 441 HD2 ARG 54 2HD ARG 54 -5.028 -20.188 -10.297 442 HD3 ARG 54 3HD ARG 54 -5.427 -18.868 -9.197 443 HE ARG 54 HE ARG 54 -4.294 -17.519 -11.179 444 HH11 ARG 54 1HH1 ARG 54 -6.609 -20.072 -11.299 445 HH12 ARG 54 2HH1 ARG 54 -7.337 -19.487 -12.755 446 HH21 ARG 54 1HH2 ARG 54 -5.231 -16.790 -13.056 447 HH22 ARG 54 2HH2 ARG 54 -6.540 -17.678 -13.760 448 H ARG 55 H ARG 55 -0.848 -16.206 -10.396 449 HA ARG 55 HA ARG 55 0.668 -14.275 -8.973 450 HB2 ARG 55 2HB ARG 55 -0.631 -14.127 -11.703 451 HB3 ARG 55 3HB ARG 55 0.521 -12.949 -11.082 452 HG2 ARG 55 2HG ARG 55 2.246 -14.647 -10.951 453 HG3 ARG 55 3HG ARG 55 1.101 -15.888 -11.457 454 HD2 ARG 55 2HD ARG 55 2.485 -15.255 -13.331 455 HD3 ARG 55 3HD ARG 55 0.831 -14.722 -13.614 456 HE ARG 55 HE ARG 55 1.514 -12.489 -13.293 457 HH11 ARG 55 1HH1 ARG 55 4.150 -14.709 -13.104 458 HH12 ARG 55 2HH1 ARG 55 5.333 -13.495 -13.448 459 HH21 ARG 55 1HH2 ARG 55 3.055 -10.946 -13.766 460 HH22 ARG 55 2HH2 ARG 55 4.721 -11.400 -13.807 461 H ASN 56 H ASN 56 0.045 -11.837 -9.158 462 HA ASN 56 HA ASN 56 -1.113 -10.198 -8.091 463 HB2 ASN 56 2HB ASN 56 -3.530 -11.778 -9.025 464 HB3 ASN 56 3HB ASN 56 -3.596 -10.159 -8.335 465 HD21 ASN 56 1HD2 ASN 56 -4.373 -11.131 -10.992 466 HD22 ASN 56 2HD2 ASN 56 -3.475 -10.182 -12.120 467 H ILE 57 H ILE 57 -0.025 -11.459 -6.251 468 HA ILE 57 HA ILE 57 -1.744 -13.039 -4.532 469 HB ILE 57 HB ILE 57 1.064 -12.076 -3.925 470 HG12 ILE 57 2HG1 ILE 57 0.245 -14.571 -5.449 471 HG13 ILE 57 3HG1 ILE 57 1.006 -13.152 -6.161 472 HG21 ILE 57 1HG2 ILE 57 1.198 -14.116 -2.571 473 HG22 ILE 57 2HG2 ILE 57 -0.458 -14.528 -3.017 474 HG23 ILE 57 3HG2 ILE 57 -0.138 -13.092 -2.044 475 HD11 ILE 57 3HD1 ILE 57 2.236 -14.985 -4.113 476 HD12 ILE 57 1HD1 ILE 57 2.998 -13.549 -4.797 477 HD13 ILE 57 2HD1 ILE 57 2.617 -14.923 -5.834 478 H ILE 58 H ILE 58 -2.166 -10.055 -4.994 479 HA ILE 58 HA ILE 58 -1.550 -8.660 -2.601 480 HB ILE 58 HB ILE 58 -3.719 -8.006 -4.614 481 HG12 ILE 58 2HG1 ILE 58 -0.825 -7.085 -4.594 482 HG13 ILE 58 3HG1 ILE 58 -1.466 -8.330 -5.661 483 HG21 ILE 58 1HG2 ILE 58 -2.220 -6.257 -2.657 484 HG22 ILE 58 2HG2 ILE 58 -3.910 -6.746 -2.535 485 HG23 ILE 58 3HG2 ILE 58 -3.391 -5.690 -3.847 486 HD11 ILE 58 3HD1 ILE 58 -1.275 -6.199 -6.802 487 HD12 ILE 58 1HD1 ILE 58 -2.328 -5.445 -5.606 488 HD13 ILE 58 2HD1 ILE 58 -2.961 -6.695 -6.676 489 H THR 59 H THR 59 -2.331 -9.506 -0.715 490 HA THR 59 HA THR 59 -5.226 -9.380 -0.309 491 HB THR 59 HB THR 59 -4.783 -11.770 -0.841 492 HG1 THR 59 HG1 THR 59 -5.789 -12.579 1.122 493 HG21 THR 59 3HG2 THR 59 -3.510 -13.162 0.728 494 HG22 THR 59 1HG2 THR 59 -3.069 -11.729 1.657 495 HG23 THR 59 2HG2 THR 59 -2.479 -11.926 0.007 496 H ARG 60 H ARG 60 -5.725 -9.664 2.145 497 HA ARG 60 HA ARG 60 -4.330 -7.618 3.473 498 HB2 ARG 60 2HB ARG 60 -6.651 -8.181 4.045 499 HB3 ARG 60 3HB ARG 60 -6.124 -9.727 4.704 500 HG2 ARG 60 2HG ARG 60 -4.758 -8.504 6.378 501 HG3 ARG 60 3HG ARG 60 -5.405 -6.988 5.752 502 HD2 ARG 60 2HD ARG 60 -7.037 -9.225 6.961 503 HD3 ARG 60 3HD ARG 60 -6.562 -7.745 7.791 504 HE ARG 60 HE ARG 60 -7.867 -6.860 5.584 505 HH11 ARG 60 1HH1 ARG 60 -8.667 -9.031 8.128 506 HH12 ARG 60 2HH1 ARG 60 -10.354 -8.662 8.062 507 HH21 ARG 60 1HH2 ARG 60 -10.032 -6.371 5.518 508 HH22 ARG 60 2HH2 ARG 60 -11.123 -7.184 6.585 509 H GLY 61 H GLY 61 -2.526 -7.572 4.636 510 HA2 GLY 61 2HA GLY 61 -1.031 -8.461 6.297 511 HA3 GLY 61 3HA GLY 61 -1.474 -10.083 5.788 512 H ALA 62 H ALA 62 -1.204 -9.204 2.902 513 HA ALA 62 HA ALA 62 1.604 -9.799 2.619 514 HB1 ALA 62 3HB ALA 62 1.158 -9.765 0.211 515 HB2 ALA 62 1HB ALA 62 -0.460 -9.126 0.514 516 HB3 ALA 62 2HB ALA 62 -0.032 -10.745 1.068 517 H VAL 63 H VAL 63 3.242 -8.446 1.973 518 HA VAL 63 HA VAL 63 2.606 -5.567 1.883 519 HB VAL 63 HB VAL 63 4.957 -5.145 2.491 520 HG11 VAL 63 1HG1 VAL 63 4.847 -5.974 4.815 521 HG12 VAL 63 2HG1 VAL 63 3.527 -7.049 4.354 522 HG13 VAL 63 3HG1 VAL 63 3.308 -5.301 4.271 523 HG21 VAL 63 3HG2 VAL 63 5.989 -7.136 1.505 524 HG22 VAL 63 1HG2 VAL 63 5.193 -8.155 2.705 525 HG23 VAL 63 2HG2 VAL 63 6.416 -6.988 3.210 526 H VAL 64 H VAL 64 2.662 -4.608 -0.023 527 HA VAL 64 HA VAL 64 4.250 -5.808 -2.205 528 HB VAL 64 HB VAL 64 2.784 -4.566 -3.750 529 HG11 VAL 64 1HG1 VAL 64 2.184 -6.850 -3.122 530 HG12 VAL 64 2HG1 VAL 64 0.738 -5.876 -3.385 531 HG13 VAL 64 3HG1 VAL 64 1.265 -6.245 -1.742 532 HG21 VAL 64 3HG2 VAL 64 1.321 -3.701 -1.246 533 HG22 VAL 64 1HG2 VAL 64 0.757 -3.448 -2.899 534 HG23 VAL 64 2HG2 VAL 64 2.229 -2.657 -2.340 535 H GLU 65 H GLU 65 5.502 -4.437 -3.603 536 HA GLU 65 HA GLU 65 6.436 -1.995 -2.270 537 HB2 GLU 65 2HB GLU 65 8.185 -3.545 -2.962 538 HB3 GLU 65 3HB GLU 65 7.607 -3.495 -4.624 539 HG2 GLU 65 2HG GLU 65 8.158 -1.099 -4.731 540 HG3 GLU 65 3HG GLU 65 8.766 -1.176 -3.080 541 H THR 66 H THR 66 5.678 -0.099 -2.846 542 HA THR 66 HA THR 66 4.577 0.297 -5.566 543 HB THR 66 HB THR 66 3.151 2.035 -4.656 544 HG1 THR 66 HG1 THR 66 4.121 1.482 -2.042 545 HG21 THR 66 3HG2 THR 66 3.048 -0.411 -2.875 546 HG22 THR 66 1HG2 THR 66 2.292 -0.258 -4.461 547 HG23 THR 66 2HG2 THR 66 1.736 0.744 -3.119 548 H ASN 67 H ASN 67 4.604 2.816 -6.076 549 HA ASN 67 HA ASN 67 7.299 3.696 -6.163 550 HB2 ASN 67 2HB ASN 67 6.226 5.920 -6.921 551 HB3 ASN 67 3HB ASN 67 5.984 4.499 -7.928 552 HD21 ASN 67 1HD2 ASN 67 4.408 6.969 -7.640 553 HD22 ASN 67 2HD2 ASN 67 2.805 6.429 -7.299 554 H LEU 68 H LEU 68 5.014 3.857 -3.654 555 HA LEU 68 HA LEU 68 6.476 6.020 -2.287 556 HB2 LEU 68 2HB LEU 68 3.895 4.618 -1.553 557 HB3 LEU 68 3HB LEU 68 4.636 5.909 -0.622 558 HG LEU 68 HG LEU 68 3.520 6.152 -3.425 559 HD11 LEU 68 1HD1 LEU 68 1.790 5.976 -1.707 560 HD12 LEU 68 2HD1 LEU 68 1.843 7.597 -2.398 561 HD13 LEU 68 3HD1 LEU 68 2.542 7.295 -0.806 562 HD21 LEU 68 3HD2 LEU 68 3.986 8.558 -3.177 563 HD22 LEU 68 1HD2 LEU 68 5.459 7.588 -3.166 564 HD23 LEU 68 2HD2 LEU 68 4.813 8.230 -1.655 565 H GLY 69 H GLY 69 6.856 2.811 -2.649 566 HA2 GLY 69 2HA GLY 69 8.510 1.613 -1.387 567 HA3 GLY 69 3HA GLY 69 8.000 2.480 0.053 568 H ASN 70 H ASN 70 7.957 0.276 1.003 569 HA ASN 70 HA ASN 70 6.120 -1.690 0.127 570 HB2 ASN 70 2HB ASN 70 7.284 -1.284 2.893 571 HB3 ASN 70 3HB ASN 70 6.437 -2.729 2.347 572 HD21 ASN 70 1HD2 ASN 70 7.411 -4.005 0.703 573 HD22 ASN 70 2HD2 ASN 70 9.117 -3.957 0.457 574 H VAL 71 H VAL 71 4.006 -1.917 0.385 575 HA VAL 71 HA VAL 71 2.615 -0.345 2.462 576 HB VAL 71 HB VAL 71 1.540 -0.973 -0.303 577 HG11 VAL 71 1HG1 VAL 71 -0.208 -0.863 1.397 578 HG12 VAL 71 2HG1 VAL 71 -0.306 0.524 0.310 579 HG13 VAL 71 3HG1 VAL 71 0.384 0.714 1.924 580 HG21 VAL 71 3HG2 VAL 71 3.317 0.697 -0.428 581 HG22 VAL 71 1HG2 VAL 71 2.521 1.658 0.819 582 HG23 VAL 71 2HG2 VAL 71 1.748 1.433 -0.750 583 H ARG 72 H ARG 72 1.406 -1.571 3.835 584 HA ARG 72 HA ARG 72 1.138 -4.424 3.277 585 HB2 ARG 72 2HB ARG 72 1.882 -3.549 5.530 586 HB3 ARG 72 3HB ARG 72 0.249 -2.938 5.761 587 HG2 ARG 72 2HG ARG 72 -0.615 -5.246 5.514 588 HG3 ARG 72 3HG ARG 72 1.045 -5.827 5.383 589 HD2 ARG 72 2HD ARG 72 0.383 -6.174 7.632 590 HD3 ARG 72 3HD ARG 72 1.470 -4.785 7.635 591 HE ARG 72 HE ARG 72 -1.191 -3.890 7.426 592 HH11 ARG 72 1HH1 ARG 72 0.956 -5.326 9.710 593 HH12 ARG 72 2HH1 ARG 72 0.115 -4.674 11.073 594 HH21 ARG 72 1HH2 ARG 72 -2.277 -3.080 9.197 595 HH22 ARG 72 2HH2 ARG 72 -1.695 -3.441 10.784 596 H VAL 73 H VAL 73 -0.607 -5.215 2.314 597 HA VAL 73 HA VAL 73 -2.871 -3.625 1.704 598 HB VAL 73 HB VAL 73 -2.610 -6.635 1.501 599 HG11 VAL 73 1HG1 VAL 73 -4.463 -4.705 0.094 600 HG12 VAL 73 2HG1 VAL 73 -4.918 -5.893 1.317 601 HG13 VAL 73 3HG1 VAL 73 -4.325 -6.430 -0.255 602 HG21 VAL 73 3HG2 VAL 73 -0.788 -5.515 0.323 603 HG22 VAL 73 1HG2 VAL 73 -1.945 -4.494 -0.532 604 HG23 VAL 73 2HG2 VAL 73 -1.919 -6.234 -0.821 605 H THR 74 H THR 74 -4.711 -3.282 2.781 606 HA THR 74 HA THR 74 -5.298 -4.928 5.169 607 HB THR 74 HB THR 74 -6.513 -2.992 6.073 608 HG1 THR 74 HG1 THR 74 -6.468 -1.012 4.959 609 HG21 THR 74 3HG2 THR 74 -4.146 -3.198 6.639 610 HG22 THR 74 1HG2 THR 74 -4.583 -1.497 6.468 611 HG23 THR 74 2HG2 THR 74 -3.699 -2.314 5.178 612 H SER 75 H SER 75 -6.920 -3.087 2.552 613 HA SER 75 HA SER 75 -9.454 -4.413 3.091 614 HB2 SER 75 2HB SER 75 -10.410 -2.991 1.422 615 HB3 SER 75 3HB SER 75 -9.264 -1.997 2.322 616 HG SER 75 HG SER 75 -8.690 -3.291 -0.149 617 H ARG 76 H ARG 76 -10.617 -5.698 1.573 618 HA ARG 76 HA ARG 76 -9.053 -7.561 0.084 619 HB2 ARG 76 2HB ARG 76 -11.375 -7.852 1.235 620 HB3 ARG 76 3HB ARG 76 -12.029 -7.184 -0.251 621 HG2 ARG 76 2HG ARG 76 -10.305 -9.656 -0.102 622 HG3 ARG 76 3HG ARG 76 -12.067 -9.665 -0.129 623 HD2 ARG 76 2HD ARG 76 -12.034 -8.587 -2.338 624 HD3 ARG 76 3HD ARG 76 -10.270 -8.577 -2.304 625 HE ARG 76 HE ARG 76 -11.695 -11.133 -2.115 626 HH11 ARG 76 1HH1 ARG 76 -9.674 -8.997 -3.915 627 HH12 ARG 76 2HH1 ARG 76 -9.145 -10.231 -5.001 628 HH21 ARG 76 1HH2 ARG 76 -11.045 -12.703 -3.543 629 HH22 ARG 76 2HH2 ARG 76 -9.926 -12.303 -4.798 630 HA PRO 77 HA PRO 77 -8.423 -4.897 -3.511 631 HB2 PRO 77 2HB PRO 77 -8.038 -7.569 -4.802 632 HB3 PRO 77 3HB PRO 77 -7.030 -6.120 -4.892 633 HG2 PRO 77 2HG PRO 77 -6.306 -8.165 -3.373 634 HG3 PRO 77 3HG PRO 77 -6.069 -6.500 -2.814 635 HD2 PRO 77 2HD PRO 77 -8.121 -8.512 -1.980 636 HD3 PRO 77 3HD PRO 77 -7.301 -7.265 -1.014 637 H GLY 78 H GLY 78 -10.088 -4.026 -4.594 638 HA2 GLY 78 2HA GLY 78 -11.472 -4.662 -6.672 639 HA3 GLY 78 3HA GLY 78 -12.243 -5.795 -5.576 640 H GLN 79 H GLN 79 -11.877 -3.671 -3.399 641 HA GLN 79 HA GLN 79 -14.455 -2.638 -3.364 642 HB2 GLN 79 2HB GLN 79 -11.951 -1.630 -1.992 643 HB3 GLN 79 3HB GLN 79 -13.576 -1.070 -1.610 644 HG2 GLN 79 2HG GLN 79 -12.669 -3.941 -1.401 645 HG3 GLN 79 3HG GLN 79 -12.705 -2.800 -0.055 646 HE21 GLN 79 1HE2 GLN 79 -14.182 -5.329 -0.553 647 HE22 GLN 79 2HE2 GLN 79 -15.851 -4.914 -0.381 648 H ASP 80 H ASP 80 -15.361 -1.285 -4.783 649 HA ASP 80 HA ASP 80 -15.731 0.439 -6.217 650 HB2 ASP 80 2HB ASP 80 -13.679 1.830 -4.474 651 HB3 ASP 80 3HB ASP 80 -14.768 2.633 -5.603 652 H GLY 81 H GLY 81 -13.432 -1.461 -6.755 653 HA2 GLY 81 2HA GLY 81 -11.985 -1.763 -8.536 654 HA3 GLY 81 3HA GLY 81 -12.378 -0.142 -9.086 655 H VAL 82 H VAL 82 -11.124 -0.874 -5.867 656 HA VAL 82 HA VAL 82 -8.404 -0.153 -6.620 657 HB VAL 82 HB VAL 82 -9.672 2.004 -6.184 658 HG11 VAL 82 1HG1 VAL 82 -10.053 2.644 -3.838 659 HG12 VAL 82 2HG1 VAL 82 -9.639 1.005 -3.334 660 HG13 VAL 82 3HG1 VAL 82 -11.064 1.286 -4.334 661 HG21 VAL 82 3HG2 VAL 82 -7.218 1.868 -6.098 662 HG22 VAL 82 1HG2 VAL 82 -7.306 1.474 -4.380 663 HG23 VAL 82 2HG2 VAL 82 -7.856 3.048 -4.955 664 H ILE 83 H ILE 83 -6.914 -0.262 -4.696 665 HA ILE 83 HA ILE 83 -7.829 -2.212 -2.665 666 HB ILE 83 HB ILE 83 -4.987 -1.844 -3.651 667 HG12 ILE 83 2HG1 ILE 83 -6.964 -3.991 -4.473 668 HG13 ILE 83 3HG1 ILE 83 -6.492 -2.627 -5.480 669 HG21 ILE 83 1HG2 ILE 83 -5.175 -2.815 -1.419 670 HG22 ILE 83 2HG2 ILE 83 -4.602 -4.020 -2.573 671 HG23 ILE 83 3HG2 ILE 83 -6.281 -4.046 -2.033 672 HD11 ILE 83 3HD1 ILE 83 -4.698 -4.839 -4.512 673 HD12 ILE 83 1HD1 ILE 83 -4.176 -3.443 -5.457 674 HD13 ILE 83 2HD1 ILE 83 -5.306 -4.605 -6.151 675 H ASN 84 H ASN 84 -7.093 -1.832 -0.469 676 HA ASN 84 HA ASN 84 -5.889 0.836 -0.016 677 HB2 ASN 84 2HB ASN 84 -7.965 -0.548 1.710 678 HB3 ASN 84 3HB ASN 84 -7.232 1.019 2.039 679 HD21 ASN 84 1HD2 ASN 84 -9.464 -0.731 0.034 680 HD22 ASN 84 2HD2 ASN 84 -10.236 0.656 -0.646 681 H GLY 85 H GLY 85 -4.261 1.020 1.502 682 HA2 GLY 85 2HA GLY 85 -3.680 -1.115 3.373 683 HA3 GLY 85 3HA GLY 85 -2.530 -1.017 2.049 684 H VAL 86 H VAL 86 -1.374 -0.726 4.388 685 HA VAL 86 HA VAL 86 -1.200 2.174 4.972 686 HB VAL 86 HB VAL 86 -0.020 0.061 6.759 687 HG11 VAL 86 1HG1 VAL 86 -0.403 1.742 8.504 688 HG12 VAL 86 2HG1 VAL 86 -1.102 2.827 7.302 689 HG13 VAL 86 3HG1 VAL 86 0.597 2.370 7.193 690 HG21 VAL 86 3HG2 VAL 86 -2.900 0.977 6.824 691 HG22 VAL 86 1HG2 VAL 86 -2.105 -0.008 8.054 692 HG23 VAL 86 2HG2 VAL 86 -2.321 -0.642 6.424 693 H LEU 87 H LEU 87 0.813 3.208 5.037 694 HA LEU 87 HA LEU 87 2.863 2.031 3.374 695 HB2 LEU 87 2HB LEU 87 2.169 4.412 3.209 696 HB3 LEU 87 3HB LEU 87 2.833 4.692 4.807 697 HG LEU 87 HG LEU 87 5.083 4.118 3.960 698 HD11 LEU 87 1HD1 LEU 87 3.731 3.954 1.265 699 HD12 LEU 87 2HD1 LEU 87 4.413 2.598 2.162 700 HD13 LEU 87 3HD1 LEU 87 5.467 3.877 1.563 701 HD21 LEU 87 3HD2 LEU 87 4.340 6.450 3.990 702 HD22 LEU 87 1HD2 LEU 87 3.683 6.265 2.365 703 HD23 LEU 87 2HD2 LEU 87 5.420 6.138 2.633 704 H ILE 88 H ILE 88 4.311 0.650 4.219 705 HA ILE 88 HA ILE 88 5.570 1.347 6.797 706 HB ILE 88 HB ILE 88 5.754 -0.979 7.425 707 HG12 ILE 88 2HG1 ILE 88 4.281 -1.571 4.844 708 HG13 ILE 88 3HG1 ILE 88 5.947 -1.995 5.217 709 HG21 ILE 88 1HG2 ILE 88 2.914 -0.262 6.678 710 HG22 ILE 88 2HG2 ILE 88 3.758 0.195 8.157 711 HG23 ILE 88 3HG2 ILE 88 3.384 -1.500 7.846 712 HD11 ILE 88 3HD1 ILE 88 4.500 -3.923 5.413 713 HD12 ILE 88 1HD1 ILE 88 3.503 -3.083 6.597 714 HD13 ILE 88 2HD1 ILE 88 5.177 -3.493 6.982 715 H ARG 89 H ARG 89 7.613 -0.278 7.025 716 HA ARG 89 HA ARG 89 9.084 -0.273 4.473 717 HB2 ARG 89 2HB ARG 89 10.202 0.833 7.063 718 HB3 ARG 89 3HB ARG 89 11.056 0.720 5.535 719 HG2 ARG 89 2HG ARG 89 8.627 2.434 6.047 720 HG3 ARG 89 3HG ARG 89 10.296 3.004 6.031 721 HD2 ARG 89 2HD ARG 89 10.489 2.281 3.676 722 HD3 ARG 89 3HD ARG 89 8.799 1.778 3.708 723 HE ARG 89 HE ARG 89 9.514 4.584 4.242 724 HH11 ARG 89 1HH1 ARG 89 7.811 2.224 2.417 725 HH12 ARG 89 2HH1 ARG 89 7.037 3.395 1.407 726 HH21 ARG 89 1HH2 ARG 89 8.471 6.094 2.955 727 HH22 ARG 89 2HH2 ARG 89 7.398 5.550 1.711 728 H GLU 90 H GLU 90 8.837 -2.612 4.516 729 HA GLU 90 HA GLU 90 10.212 -4.050 6.651 730 HB2 GLU 90 2HB GLU 90 8.819 -5.060 4.164 731 HB3 GLU 90 3HB GLU 90 9.626 -6.103 5.327 732 HG2 GLU 90 2HG GLU 90 8.018 -4.864 7.025 733 HG3 GLU 90 3HG GLU 90 7.063 -4.610 5.563 734 H LEU 91 H LEU 91 10.646 -3.479 3.167 735 HA LEU 91 HA LEU 91 13.043 -5.033 2.993 736 HB2 LEU 91 2HB LEU 91 11.872 -2.976 1.114 737 HB3 LEU 91 3HB LEU 91 13.267 -3.975 0.740 738 HG LEU 91 HG LEU 91 10.453 -4.968 1.247 739 HD11 LEU 91 1HD1 LEU 91 10.465 -5.585 -1.107 740 HD12 LEU 91 2HD1 LEU 91 12.081 -4.900 -1.295 741 HD13 LEU 91 3HD1 LEU 91 10.717 -3.849 -0.912 742 HD21 LEU 91 3HD2 LEU 91 12.962 -6.506 0.557 743 HD22 LEU 91 1HD2 LEU 91 11.329 -7.175 0.582 744 HD23 LEU 91 2HD2 LEU 91 12.061 -6.584 2.072 745 H GLU 92 H GLU 92 15.032 -3.874 1.929 746 HA GLU 92 HA GLU 92 16.209 -2.286 3.942 747 HB2 GLU 92 2HB GLU 92 17.560 -3.731 2.541 748 HB3 GLU 92 3HB GLU 92 17.088 -2.838 1.099 749 HG2 GLU 92 2HG GLU 92 18.183 -0.810 2.172 750 HG3 GLU 92 3HG GLU 92 18.869 -1.928 3.350 751 H HIS 93 H HIS 93 16.326 -0.123 4.236 752 HA HIS 93 HA HIS 93 15.056 1.749 2.481 753 HB2 HIS 93 2HB HIS 93 17.058 2.212 4.720 754 HB3 HIS 93 3HB HIS 93 16.132 3.476 3.921 755 HD1 HIS 93 HD1 HIS 93 14.029 4.105 5.067 756 HD2 HIS 93 HD2 HIS 93 15.235 0.260 6.077 757 HE1 HIS 93 HE1 HIS 93 12.418 3.338 6.833 758 HE2 HIS 93 HE2 HIS 93 13.272 1.080 7.545 759 H HIS 94 H HIS 94 15.872 1.958 0.436 760 HA HIS 94 HA HIS 94 18.614 1.273 -0.109 761 HB2 HIS 94 2HB HIS 94 16.462 2.269 -1.986 762 HB3 HIS 94 3HB HIS 94 17.990 1.538 -2.461 763 HD1 HIS 94 HD1 HIS 94 18.253 -1.015 -1.176 764 HD2 HIS 94 HD2 HIS 94 14.470 0.441 -2.110 765 HE1 HIS 94 HE1 HIS 94 16.743 -3.020 -1.206 766 HE2 HIS 94 HE2 HIS 94 14.482 -2.128 -1.852 767 H HIS 95 H HIS 95 18.430 3.691 1.464 768 HA HIS 95 HA HIS 95 19.593 5.647 -0.425 769 HB2 HIS 95 2HB HIS 95 18.410 6.172 2.320 770 HB3 HIS 95 3HB HIS 95 19.072 7.385 1.231 771 HD1 HIS 95 HD1 HIS 95 17.606 8.138 -0.734 772 HD2 HIS 95 HD2 HIS 95 15.849 5.197 1.616 773 HE1 HIS 95 HE1 HIS 95 15.200 8.064 -1.437 774 HE2 HIS 95 HE2 HIS 95 14.205 6.164 -0.132 775 H HIS 96 H HIS 96 21.599 4.408 -0.307 776 HA HIS 96 HA HIS 96 22.919 4.168 2.278 777 HB2 HIS 96 2HB HIS 96 24.025 3.458 -0.445 778 HB3 HIS 96 3HB HIS 96 24.633 2.932 1.119 779 HD1 HIS 96 HD1 HIS 96 22.528 1.883 -1.592 780 HD2 HIS 96 HD2 HIS 96 22.668 1.175 2.498 781 HE1 HIS 96 HE1 HIS 96 21.182 -0.197 -1.226 782 HE2 HIS 96 HE2 HIS 96 21.471 -0.725 1.211 783 H HIS 97 H HIS 97 22.875 6.468 -0.272 784 HA HIS 97 HA HIS 97 25.644 7.244 -0.027 785 HB2 HIS 97 2HB HIS 97 23.398 8.647 -1.492 786 HB3 HIS 97 3HB HIS 97 25.121 8.970 -1.676 787 HD1 HIS 97 HD1 HIS 97 22.416 6.794 -2.879 788 HD2 HIS 97 HD2 HIS 97 26.575 6.789 -2.939 789 HE1 HIS 97 HE1 HIS 97 23.063 5.059 -4.563 790 HE2 HIS 97 HE2 HIS 97 25.572 5.070 -4.598 791 H HIS 98 H HIS 98 25.384 7.520 2.339 792 HA HIS 98 HA HIS 98 25.270 10.355 2.937 793 HB2 HIS 98 2HB HIS 98 23.458 8.349 4.294 794 HB3 HIS 98 3HB HIS 98 23.956 9.829 5.103 795 HD1 HIS 98 HD1 HIS 98 23.337 12.092 3.639 796 HD2 HIS 98 HD2 HIS 98 21.167 8.636 2.868 797 HE1 HIS 98 HE1 HIS 98 21.227 12.861 2.530 798 HE2 HIS 98 HE2 HIS 98 19.821 10.789 2.359 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -37.951 28.211 -28.671 2 H2 GLY 1 2H GLY 1 -37.160 26.805 -29.185 3 H3 GLY 1 3H GLY 1 -36.295 28.248 -29.018 4 HA2 GLY 1 2HA GLY 1 -36.643 28.243 -26.636 5 HA3 GLY 1 3HA GLY 1 -37.591 26.774 -26.788 6 H ASP 2 H ASP 2 -34.716 27.798 -25.735 7 HA ASP 2 HA ASP 2 -33.130 25.585 -26.846 8 HB2 ASP 2 2HB ASP 2 -32.264 27.948 -25.161 9 HB3 ASP 2 3HB ASP 2 -31.187 26.737 -25.850 10 H ARG 3 H ARG 3 -35.140 25.962 -24.255 11 HA ARG 3 HA ARG 3 -33.463 24.821 -22.190 12 HB2 ARG 3 2HB ARG 3 -36.442 25.350 -22.282 13 HB3 ARG 3 3HB ARG 3 -35.619 24.662 -20.891 14 HG2 ARG 3 2HG ARG 3 -35.901 26.966 -20.452 15 HG3 ARG 3 3HG ARG 3 -34.193 26.726 -20.819 16 HD2 ARG 3 2HD ARG 3 -34.548 27.556 -23.083 17 HD3 ARG 3 3HD ARG 3 -36.273 27.738 -22.766 18 HE ARG 3 HE ARG 3 -34.169 29.301 -21.413 19 HH11 ARG 3 1HH1 ARG 3 -37.341 29.002 -22.723 20 HH12 ARG 3 2HH1 ARG 3 -37.754 30.645 -22.383 21 HH21 ARG 3 1HH2 ARG 3 -34.712 31.412 -20.988 22 HH22 ARG 3 2HH2 ARG 3 -36.280 31.997 -21.423 23 H ARG 4 H ARG 4 -33.169 22.716 -21.741 24 HA ARG 4 HA ARG 4 -34.707 20.767 -23.314 25 HB2 ARG 4 2HB ARG 4 -32.886 19.191 -23.015 26 HB3 ARG 4 3HB ARG 4 -32.290 20.689 -23.699 27 HG2 ARG 4 2HG ARG 4 -31.993 19.837 -20.818 28 HG3 ARG 4 3HG ARG 4 -30.750 19.718 -22.060 29 HD2 ARG 4 2HD ARG 4 -31.901 22.180 -20.775 30 HD3 ARG 4 3HD ARG 4 -30.219 21.661 -20.842 31 HE ARG 4 HE ARG 4 -31.740 22.963 -22.975 32 HH11 ARG 4 1HH1 ARG 4 -28.757 21.576 -21.940 33 HH12 ARG 4 2HH1 ARG 4 -27.846 22.391 -23.165 34 HH21 ARG 4 1HH2 ARG 4 -30.560 24.015 -24.497 35 HH22 ARG 4 2HH2 ARG 4 -28.847 23.763 -24.586 36 H VAL 5 H VAL 5 -36.326 19.852 -22.304 37 HA VAL 5 HA VAL 5 -36.618 20.008 -19.440 38 HB VAL 5 HB VAL 5 -38.854 19.018 -19.843 39 HG11 VAL 5 1HG1 VAL 5 -39.758 20.887 -21.162 40 HG12 VAL 5 2HG1 VAL 5 -38.126 21.294 -21.695 41 HG13 VAL 5 3HG1 VAL 5 -38.557 21.434 -19.991 42 HG21 VAL 5 3HG2 VAL 5 -38.295 17.536 -21.709 43 HG22 VAL 5 1HG2 VAL 5 -37.974 18.932 -22.738 44 HG23 VAL 5 2HG2 VAL 5 -39.609 18.623 -22.155 45 H ARG 6 H ARG 6 -34.458 18.317 -19.963 46 HA ARG 6 HA ARG 6 -35.294 15.914 -18.621 47 HB2 ARG 6 2HB ARG 6 -34.325 14.372 -20.379 48 HB3 ARG 6 3HB ARG 6 -35.854 15.132 -20.796 49 HG2 ARG 6 2HG ARG 6 -34.705 16.746 -22.201 50 HG3 ARG 6 3HG ARG 6 -33.145 16.065 -21.739 51 HD2 ARG 6 2HD ARG 6 -33.770 13.933 -22.763 52 HD3 ARG 6 3HD ARG 6 -35.340 14.601 -23.206 53 HE ARG 6 HE ARG 6 -34.248 16.022 -24.779 54 HH11 ARG 6 1HH1 ARG 6 -32.141 13.733 -23.296 55 HH12 ARG 6 2HH1 ARG 6 -30.981 13.818 -24.574 56 HH21 ARG 6 1HH2 ARG 6 -32.747 16.130 -26.395 57 HH22 ARG 6 2HH2 ARG 6 -31.322 15.150 -26.315 58 H LEU 7 H LEU 7 -33.836 16.277 -17.011 59 HA LEU 7 HA LEU 7 -30.986 16.521 -17.729 60 HB2 LEU 7 2HB LEU 7 -32.465 17.136 -15.170 61 HB3 LEU 7 3HB LEU 7 -30.716 17.108 -15.274 62 HG LEU 7 HG LEU 7 -30.876 18.912 -17.037 63 HD11 LEU 7 1HD1 LEU 7 -32.931 20.220 -17.164 64 HD12 LEU 7 2HD1 LEU 7 -33.747 19.056 -16.118 65 HD13 LEU 7 3HD1 LEU 7 -33.189 18.567 -17.719 66 HD21 LEU 7 3HD2 LEU 7 -31.214 20.707 -15.431 67 HD22 LEU 7 1HD2 LEU 7 -30.290 19.390 -14.707 68 HD23 LEU 7 2HD2 LEU 7 -31.998 19.586 -14.316 69 H ILE 8 H ILE 8 -33.110 14.131 -17.028 70 HA ILE 8 HA ILE 8 -31.654 12.584 -15.112 71 HB ILE 8 HB ILE 8 -34.100 12.366 -15.480 72 HG12 ILE 8 2HG1 ILE 8 -32.580 10.494 -14.515 73 HG13 ILE 8 3HG1 ILE 8 -34.230 10.088 -14.958 74 HG21 ILE 8 1HG2 ILE 8 -34.951 11.062 -17.377 75 HG22 ILE 8 2HG2 ILE 8 -33.328 11.020 -18.067 76 HG23 ILE 8 3HG2 ILE 8 -34.173 12.559 -17.893 77 HD11 ILE 8 3HD1 ILE 8 -33.420 9.096 -17.046 78 HD12 ILE 8 1HD1 ILE 8 -32.690 8.348 -15.626 79 HD13 ILE 8 2HD1 ILE 8 -31.765 9.498 -16.588 80 H ARG 9 H ARG 9 -30.069 11.092 -15.404 81 HA ARG 9 HA ARG 9 -29.304 10.380 -18.165 82 HB2 ARG 9 2HB ARG 9 -27.588 11.333 -15.891 83 HB3 ARG 9 3HB ARG 9 -26.903 10.310 -17.144 84 HG2 ARG 9 2HG ARG 9 -28.214 12.993 -17.582 85 HG3 ARG 9 3HG ARG 9 -26.478 12.662 -17.595 86 HD2 ARG 9 2HD ARG 9 -28.570 11.702 -19.543 87 HD3 ARG 9 3HD ARG 9 -27.168 12.724 -19.867 88 HE ARG 9 HE ARG 9 -26.091 10.408 -18.930 89 HH11 ARG 9 1HH1 ARG 9 -28.240 11.175 -21.513 90 HH12 ARG 9 2HH1 ARG 9 -27.762 9.813 -22.458 91 HH21 ARG 9 1HH2 ARG 9 -25.523 8.640 -20.125 92 HH22 ARG 9 2HH2 ARG 9 -26.250 8.383 -21.674 93 H THR 10 H THR 10 -29.105 8.293 -18.579 94 HA THR 10 HA THR 10 -28.219 6.441 -16.484 95 HB THR 10 HB THR 10 -30.666 6.220 -16.461 96 HG1 THR 10 HG1 THR 10 -30.506 3.862 -17.464 97 HG21 THR 10 3HG2 THR 10 -30.409 5.470 -19.383 98 HG22 THR 10 1HG2 THR 10 -31.129 6.958 -18.767 99 HG23 THR 10 2HG2 THR 10 -31.885 5.404 -18.418 100 H ARG 11 H ARG 11 -27.580 4.278 -17.455 101 HA ARG 11 HA ARG 11 -27.016 4.175 -20.271 102 HB2 ARG 11 2HB ARG 11 -25.297 5.792 -19.441 103 HB3 ARG 11 3HB ARG 11 -24.651 4.525 -18.408 104 HG2 ARG 11 2HG ARG 11 -24.104 3.190 -20.387 105 HG3 ARG 11 3HG ARG 11 -24.773 4.450 -21.425 106 HD2 ARG 11 2HD ARG 11 -22.365 4.660 -19.617 107 HD3 ARG 11 3HD ARG 11 -22.378 4.682 -21.380 108 HE ARG 11 HE ARG 11 -23.066 6.863 -19.593 109 HH11 ARG 11 1HH1 ARG 11 -23.088 5.656 -22.817 110 HH12 ARG 11 2HH1 ARG 11 -23.307 7.219 -23.516 111 HH21 ARG 11 1HH2 ARG 11 -23.303 8.870 -20.508 112 HH22 ARG 11 2HH2 ARG 11 -23.449 9.018 -22.227 113 H GLY 12 H GLY 12 -27.353 2.098 -20.708 114 HA2 GLY 12 2HA GLY 12 -26.400 0.045 -18.792 115 HA3 GLY 12 3HA GLY 12 -27.798 -0.146 -19.836 116 H GLY 13 H GLY 13 -24.346 -0.363 -19.610 117 HA2 GLY 13 2HA GLY 13 -24.227 -1.988 -21.988 118 HA3 GLY 13 3HA GLY 13 -23.457 -0.424 -22.194 119 H ASN 14 H ASN 14 -21.429 -1.400 -22.516 120 HA ASN 14 HA ASN 14 -20.288 -3.240 -20.642 121 HB2 ASN 14 2HB ASN 14 -19.051 -1.642 -22.892 122 HB3 ASN 14 3HB ASN 14 -18.188 -2.864 -21.963 123 HD21 ASN 14 1HD2 ASN 14 -20.380 -4.686 -21.729 124 HD22 ASN 14 2HD2 ASN 14 -20.649 -5.363 -23.292 125 H THR 15 H THR 15 -19.371 -2.812 -18.751 126 HA THR 15 HA THR 15 -18.750 -0.047 -18.015 127 HB THR 15 HB THR 15 -20.069 -1.373 -16.421 128 HG1 THR 15 HG1 THR 15 -17.967 -1.231 -14.779 129 HG21 THR 15 3HG2 THR 15 -17.610 -3.127 -16.207 130 HG22 THR 15 1HG2 THR 15 -19.168 -3.603 -16.888 131 HG23 THR 15 2HG2 THR 15 -19.033 -3.224 -15.170 132 H LYS 16 H LYS 16 -16.779 0.233 -16.556 133 HA LYS 16 HA LYS 16 -14.440 -0.522 -18.024 134 HB2 LYS 16 2HB LYS 16 -13.254 0.720 -16.129 135 HB3 LYS 16 3HB LYS 16 -14.375 1.643 -17.115 136 HG2 LYS 16 2HG LYS 16 -14.851 2.357 -14.958 137 HG3 LYS 16 3HG LYS 16 -16.101 1.152 -15.265 138 HD2 LYS 16 2HD LYS 16 -15.275 0.802 -13.048 139 HD3 LYS 16 3HD LYS 16 -14.677 -0.517 -14.050 140 HE2 LYS 16 2HE LYS 16 -12.932 0.318 -12.551 141 HE3 LYS 16 3HE LYS 16 -12.504 0.599 -14.239 142 HZ1 LYS 16 3HZ LYS 16 -13.721 2.645 -12.468 143 HZ2 LYS 16 1HZ LYS 16 -13.120 2.884 -14.028 144 HZ3 LYS 16 2HZ LYS 16 -12.061 2.513 -12.767 145 H VAL 17 H VAL 17 -12.701 -1.823 -17.379 146 HA VAL 17 HA VAL 17 -13.393 -4.064 -15.704 147 HB VAL 17 HB VAL 17 -12.072 -4.350 -17.776 148 HG11 VAL 17 1HG1 VAL 17 -9.867 -2.929 -16.279 149 HG12 VAL 17 2HG1 VAL 17 -10.742 -2.310 -17.679 150 HG13 VAL 17 3HG1 VAL 17 -9.706 -3.727 -17.843 151 HG21 VAL 17 3HG2 VAL 17 -11.949 -6.055 -16.030 152 HG22 VAL 17 1HG2 VAL 17 -10.594 -5.209 -15.284 153 HG23 VAL 17 2HG2 VAL 17 -10.417 -5.916 -16.889 154 H ARG 18 H ARG 18 -12.239 -4.768 -13.821 155 HA ARG 18 HA ARG 18 -11.743 -2.868 -11.853 156 HB2 ARG 18 2HB ARG 18 -10.688 -4.718 -10.574 157 HB3 ARG 18 3HB ARG 18 -12.233 -5.166 -11.285 158 HG2 ARG 18 2HG ARG 18 -11.194 -6.476 -12.969 159 HG3 ARG 18 3HG ARG 18 -9.603 -5.809 -12.608 160 HD2 ARG 18 2HD ARG 18 -11.204 -7.494 -10.680 161 HD3 ARG 18 3HD ARG 18 -9.970 -8.136 -11.763 162 HE ARG 18 HE ARG 18 -9.099 -5.982 -10.046 163 HH11 ARG 18 1HH1 ARG 18 -9.418 -9.389 -10.424 164 HH12 ARG 18 2HH1 ARG 18 -8.144 -9.749 -9.311 165 HH21 ARG 18 1HH2 ARG 18 -7.458 -6.457 -8.604 166 HH22 ARG 18 2HH2 ARG 18 -7.044 -8.107 -8.297 167 H LEU 19 H LEU 19 -9.519 -4.202 -14.212 168 HA LEU 19 HA LEU 19 -7.465 -2.306 -13.586 169 HB2 LEU 19 2HB LEU 19 -7.220 -4.037 -11.780 170 HB3 LEU 19 3HB LEU 19 -6.888 -5.226 -13.020 171 HG LEU 19 HG LEU 19 -5.151 -2.777 -12.721 172 HD11 LEU 19 1HD1 LEU 19 -5.218 -3.837 -10.528 173 HD12 LEU 19 2HD1 LEU 19 -3.653 -4.099 -11.298 174 HD13 LEU 19 3HD1 LEU 19 -4.842 -5.401 -11.255 175 HD21 LEU 19 3HD2 LEU 19 -3.449 -4.227 -13.727 176 HD22 LEU 19 1HD2 LEU 19 -4.868 -4.092 -14.766 177 HD23 LEU 19 2HD2 LEU 19 -4.615 -5.548 -13.805 178 H ALA 20 H ALA 20 -6.433 -1.858 -15.457 179 HA ALA 20 HA ALA 20 -6.271 -3.964 -17.527 180 HB1 ALA 20 3HB ALA 20 -6.623 -2.275 -19.255 181 HB2 ALA 20 1HB ALA 20 -6.807 -1.030 -18.017 182 HB3 ALA 20 2HB ALA 20 -7.988 -2.332 -18.140 183 H SER 21 H SER 21 -4.147 -4.394 -16.668 184 HA SER 21 HA SER 21 -1.884 -4.401 -16.867 185 HB2 SER 21 2HB SER 21 -2.289 -2.036 -18.720 186 HB3 SER 21 3HB SER 21 -0.760 -2.883 -18.480 187 HG SER 21 HG SER 21 -2.260 -3.499 -20.320 188 H ASP 22 H ASP 22 -3.156 -1.107 -16.468 189 HA ASP 22 HA ASP 22 -0.975 -0.233 -14.823 190 HB2 ASP 22 2HB ASP 22 -2.199 1.371 -16.170 191 HB3 ASP 22 3HB ASP 22 -3.712 0.942 -15.384 192 H THR 23 H THR 23 -0.798 -0.318 -12.614 193 HA THR 23 HA THR 23 -3.023 -1.603 -11.133 194 HB THR 23 HB THR 23 -0.054 -2.054 -10.702 195 HG1 THR 23 HG1 THR 23 -1.985 -3.360 -12.225 196 HG21 THR 23 3HG2 THR 23 -2.445 -3.379 -9.406 197 HG22 THR 23 1HG2 THR 23 -1.345 -2.244 -8.621 198 HG23 THR 23 2HG2 THR 23 -0.756 -3.818 -9.153 199 H ARG 24 H ARG 24 -3.851 -0.270 -9.630 200 HA ARG 24 HA ARG 24 -2.088 1.749 -8.369 201 HB2 ARG 24 2HB ARG 24 -5.070 1.911 -8.877 202 HB3 ARG 24 3HB ARG 24 -4.086 3.164 -8.129 203 HG2 ARG 24 2HG ARG 24 -3.683 2.147 -10.937 204 HG3 ARG 24 3HG ARG 24 -4.644 3.568 -10.522 205 HD2 ARG 24 2HD ARG 24 -2.743 4.743 -9.736 206 HD3 ARG 24 3HD ARG 24 -1.752 3.283 -9.718 207 HE ARG 24 HE ARG 24 -2.079 3.335 -12.229 208 HH11 ARG 24 1HH1 ARG 24 -2.071 6.227 -10.350 209 HH12 ARG 24 2HH1 ARG 24 -1.425 7.175 -11.641 210 HH21 ARG 24 1HH2 ARG 24 -1.286 4.541 -13.849 211 HH22 ARG 24 2HH2 ARG 24 -0.987 6.231 -13.611 212 H ILE 25 H ILE 25 -2.612 2.402 -6.178 213 HA ILE 25 HA ILE 25 -4.431 0.785 -4.600 214 HB ILE 25 HB ILE 25 -2.442 -0.627 -4.556 215 HG12 ILE 25 2HG1 ILE 25 -2.807 0.844 -1.924 216 HG13 ILE 25 3HG1 ILE 25 -3.815 -0.476 -2.507 217 HG21 ILE 25 1HG2 ILE 25 -0.758 1.059 -5.067 218 HG22 ILE 25 2HG2 ILE 25 -0.319 0.158 -3.617 219 HG23 ILE 25 3HG2 ILE 25 -0.980 1.786 -3.474 220 HD11 ILE 25 3HD1 ILE 25 -1.907 -1.988 -2.399 221 HD12 ILE 25 1HD1 ILE 25 -2.224 -1.235 -0.836 222 HD13 ILE 25 2HD1 ILE 25 -0.887 -0.666 -1.833 223 H ASN 26 H ASN 26 -5.297 1.999 -2.984 224 HA ASN 26 HA ASN 26 -4.354 4.671 -2.490 225 HB2 ASN 26 2HB ASN 26 -6.495 3.023 -1.116 226 HB3 ASN 26 3HB ASN 26 -6.186 4.728 -0.798 227 HD21 ASN 26 1HD2 ASN 26 -8.324 5.194 -1.451 228 HD22 ASN 26 2HD2 ASN 26 -8.753 5.237 -3.126 229 H VAL 27 H VAL 27 -2.457 4.846 -1.452 230 HA VAL 27 HA VAL 27 -1.759 2.995 0.704 231 HB VAL 27 HB VAL 27 -0.066 5.129 -0.621 232 HG11 VAL 27 1HG1 VAL 27 0.715 4.587 1.626 233 HG12 VAL 27 2HG1 VAL 27 1.833 3.965 0.413 234 HG13 VAL 27 3HG1 VAL 27 0.715 2.868 1.227 235 HG21 VAL 27 3HG2 VAL 27 1.008 3.261 -1.813 236 HG22 VAL 27 1HG2 VAL 27 -0.703 3.403 -2.217 237 HG23 VAL 27 2HG2 VAL 27 -0.162 2.147 -1.104 238 H VAL 28 H VAL 28 -2.180 3.528 2.741 239 HA VAL 28 HA VAL 28 -2.487 6.329 3.526 240 HB VAL 28 HB VAL 28 -2.965 3.836 5.177 241 HG11 VAL 28 1HG1 VAL 28 -2.575 5.836 6.526 242 HG12 VAL 28 2HG1 VAL 28 -4.262 5.332 6.633 243 HG13 VAL 28 3HG1 VAL 28 -3.813 6.705 5.621 244 HG21 VAL 28 3HG2 VAL 28 -4.445 3.865 3.237 245 HG22 VAL 28 1HG2 VAL 28 -4.950 5.509 3.629 246 HG23 VAL 28 2HG2 VAL 28 -5.351 4.179 4.716 247 H ASP 29 H ASP 29 -0.702 7.363 4.220 248 HA ASP 29 HA ASP 29 1.566 5.911 5.282 249 HB2 ASP 29 2HB ASP 29 1.972 7.812 3.818 250 HB3 ASP 29 3HB ASP 29 1.100 8.878 4.917 251 HA PRO 30 HA PRO 30 -0.097 6.190 9.438 252 HB2 PRO 30 2HB PRO 30 1.923 4.931 10.722 253 HB3 PRO 30 3HB PRO 30 0.768 4.062 9.701 254 HG2 PRO 30 2HG PRO 30 3.531 5.035 9.014 255 HG3 PRO 30 3HG PRO 30 2.800 3.445 8.710 256 HD2 PRO 30 2HD PRO 30 2.937 5.349 6.800 257 HD3 PRO 30 3HD PRO 30 1.574 4.215 6.904 258 H GLU 31 H GLU 31 2.874 7.631 8.370 259 HA GLU 31 HA GLU 31 3.516 8.855 10.915 260 HB2 GLU 31 2HB GLU 31 4.667 9.275 8.147 261 HB3 GLU 31 3HB GLU 31 5.305 10.006 9.614 262 HG2 GLU 31 2HG GLU 31 5.130 7.042 9.080 263 HG3 GLU 31 3HG GLU 31 6.581 8.028 8.904 264 H THR 32 H THR 32 2.227 9.988 7.793 265 HA THR 32 HA THR 32 1.657 12.622 8.981 266 HB THR 32 HB THR 32 1.144 13.362 6.683 267 HG1 THR 32 HG1 THR 32 2.121 10.901 5.688 268 HG21 THR 32 3HG2 THR 32 3.792 11.907 6.868 269 HG22 THR 32 1HG2 THR 32 3.463 13.524 7.497 270 HG23 THR 32 2HG2 THR 32 3.405 13.223 5.759 271 H GLY 33 H GLY 33 0.078 9.745 7.813 272 HA2 GLY 33 2HA GLY 33 -2.128 9.087 8.200 273 HA3 GLY 33 3HA GLY 33 -2.495 10.708 8.765 274 H LYS 34 H LYS 34 -0.901 10.344 5.702 275 HA LYS 34 HA LYS 34 -3.206 11.488 4.338 276 HB2 LYS 34 2HB LYS 34 -1.697 11.770 2.441 277 HB3 LYS 34 3HB LYS 34 -0.940 12.371 3.911 278 HG2 LYS 34 2HG LYS 34 0.439 10.409 4.081 279 HG3 LYS 34 3HG LYS 34 -0.407 9.641 2.740 280 HD2 LYS 34 2HD LYS 34 0.442 11.382 1.222 281 HD3 LYS 34 3HD LYS 34 1.286 12.142 2.573 282 HE2 LYS 34 2HE LYS 34 2.640 10.134 2.878 283 HE3 LYS 34 3HE LYS 34 1.781 9.333 1.565 284 HZ1 LYS 34 3HZ LYS 34 2.671 10.909 0.016 285 HZ2 LYS 34 1HZ LYS 34 3.948 10.257 0.909 286 HZ3 LYS 34 2HZ LYS 34 3.386 11.811 1.256 287 H VAL 35 H VAL 35 -4.394 10.513 2.697 288 HA VAL 35 HA VAL 35 -3.804 7.679 2.099 289 HB VAL 35 HB VAL 35 -6.343 9.228 1.498 290 HG11 VAL 35 1HG1 VAL 35 -5.733 6.271 1.285 291 HG12 VAL 35 2HG1 VAL 35 -5.990 7.386 -0.057 292 HG13 VAL 35 3HG1 VAL 35 -7.319 7.007 1.039 293 HG21 VAL 35 3HG2 VAL 35 -7.361 7.963 3.340 294 HG22 VAL 35 1HG2 VAL 35 -6.028 8.969 3.911 295 HG23 VAL 35 2HG2 VAL 35 -5.797 7.232 3.706 296 H GLU 36 H GLU 36 -2.248 7.824 0.530 297 HA GLU 36 HA GLU 36 -2.776 9.533 -1.816 298 HB2 GLU 36 2HB GLU 36 -0.784 10.193 -0.585 299 HB3 GLU 36 3HB GLU 36 -0.161 8.552 -0.646 300 HG2 GLU 36 2HG GLU 36 0.242 8.694 -2.980 301 HG3 GLU 36 3HG GLU 36 -0.659 10.207 -3.107 302 H ILE 37 H ILE 37 -3.169 8.556 -3.704 303 HA ILE 37 HA ILE 37 -3.132 5.675 -3.873 304 HB ILE 37 HB ILE 37 -3.823 7.666 -6.049 305 HG12 ILE 37 2HG1 ILE 37 -5.663 6.297 -4.055 306 HG13 ILE 37 3HG1 ILE 37 -5.182 7.990 -3.980 307 HG21 ILE 37 1HG2 ILE 37 -5.101 5.793 -7.006 308 HG22 ILE 37 2HG2 ILE 37 -4.537 4.740 -5.709 309 HG23 ILE 37 3HG2 ILE 37 -3.388 5.401 -6.873 310 HD11 ILE 37 3HD1 ILE 37 -7.412 7.711 -4.913 311 HD12 ILE 37 1HD1 ILE 37 -6.752 6.713 -6.208 312 HD13 ILE 37 2HD1 ILE 37 -6.304 8.416 -6.091 313 H ALA 38 H ALA 38 -1.333 4.589 -4.358 314 HA ALA 38 HA ALA 38 0.622 5.747 -6.252 315 HB1 ALA 38 3HB ALA 38 2.317 4.386 -5.124 316 HB2 ALA 38 1HB ALA 38 1.085 3.759 -4.027 317 HB3 ALA 38 2HB ALA 38 1.507 5.471 -3.995 318 H GLU 39 H GLU 39 1.968 4.005 -7.390 319 HA GLU 39 HA GLU 39 0.168 1.947 -8.459 320 HB2 GLU 39 2HB GLU 39 2.852 2.866 -9.529 321 HB3 GLU 39 3HB GLU 39 1.747 1.752 -10.318 322 HG2 GLU 39 2HG GLU 39 1.436 3.771 -11.430 323 HG3 GLU 39 3HG GLU 39 0.068 3.665 -10.326 324 H ILE 40 H ILE 40 0.572 -0.225 -8.274 325 HA ILE 40 HA ILE 40 2.699 -1.049 -6.435 326 HB ILE 40 HB ILE 40 0.484 -2.706 -7.672 327 HG12 ILE 40 2HG1 ILE 40 0.719 -1.526 -4.890 328 HG13 ILE 40 3HG1 ILE 40 -0.369 -0.960 -6.156 329 HG21 ILE 40 1HG2 ILE 40 2.415 -3.379 -5.445 330 HG22 ILE 40 2HG2 ILE 40 2.399 -4.082 -7.063 331 HG23 ILE 40 3HG2 ILE 40 1.057 -4.381 -5.960 332 HD11 ILE 40 3HD1 ILE 40 -0.452 -3.664 -4.828 333 HD12 ILE 40 1HD1 ILE 40 -1.539 -3.106 -6.103 334 HD13 ILE 40 2HD1 ILE 40 -1.547 -2.314 -4.529 335 H ARG 41 H ARG 41 4.633 -1.566 -7.253 336 HA ARG 41 HA ARG 41 4.919 -2.451 -9.997 337 HB2 ARG 41 2HB ARG 41 6.926 -1.889 -7.811 338 HB3 ARG 41 3HB ARG 41 7.386 -2.494 -9.400 339 HG2 ARG 41 2HG ARG 41 6.389 -0.520 -10.447 340 HG3 ARG 41 3HG ARG 41 5.913 0.083 -8.860 341 HD2 ARG 41 2HD ARG 41 8.164 0.423 -8.207 342 HD3 ARG 41 3HD ARG 41 8.780 -0.512 -9.571 343 HE ARG 41 HE ARG 41 7.609 1.411 -10.891 344 HH11 ARG 41 1HH1 ARG 41 9.452 1.729 -7.993 345 HH12 ARG 41 2HH1 ARG 41 9.993 3.318 -8.399 346 HH21 ARG 41 1HH2 ARG 41 8.325 3.428 -11.389 347 HH22 ARG 41 2HH2 ARG 41 9.347 4.274 -10.282 348 H ASN 42 H ASN 42 5.493 -3.872 -6.777 349 HA ASN 42 HA ASN 42 5.539 -6.527 -8.078 350 HB2 ASN 42 2HB ASN 42 7.189 -5.565 -5.735 351 HB3 ASN 42 3HB ASN 42 7.008 -7.265 -6.150 352 HD21 ASN 42 1HD2 ASN 42 8.377 -4.223 -7.109 353 HD22 ASN 42 2HD2 ASN 42 9.441 -4.864 -8.305 354 H VAL 43 H VAL 43 3.714 -7.569 -7.619 355 HA VAL 43 HA VAL 43 2.134 -7.149 -5.277 356 HB VAL 43 HB VAL 43 2.097 -9.414 -7.292 357 HG11 VAL 43 1HG1 VAL 43 -0.164 -9.917 -6.425 358 HG12 VAL 43 2HG1 VAL 43 0.104 -8.753 -5.127 359 HG13 VAL 43 3HG1 VAL 43 1.106 -10.198 -5.234 360 HG21 VAL 43 3HG2 VAL 43 1.579 -7.238 -8.268 361 HG22 VAL 43 1HG2 VAL 43 0.353 -6.958 -7.029 362 HG23 VAL 43 2HG2 VAL 43 0.135 -8.249 -8.213 363 H VAL 44 H VAL 44 4.728 -9.353 -6.106 364 HA VAL 44 HA VAL 44 4.446 -11.142 -3.925 365 HB VAL 44 HB VAL 44 5.821 -11.687 -5.893 366 HG11 VAL 44 1HG1 VAL 44 8.052 -10.700 -6.194 367 HG12 VAL 44 2HG1 VAL 44 7.729 -9.580 -4.871 368 HG13 VAL 44 3HG1 VAL 44 6.772 -9.495 -6.350 369 HG21 VAL 44 3HG2 VAL 44 6.246 -12.865 -3.782 370 HG22 VAL 44 1HG2 VAL 44 7.441 -11.645 -3.337 371 HG23 VAL 44 2HG2 VAL 44 7.724 -12.692 -4.728 372 H GLU 45 H GLU 45 5.326 -11.110 -1.858 373 HA GLU 45 HA GLU 45 5.875 -8.531 -0.723 374 HB2 GLU 45 2HB GLU 45 5.984 -11.292 0.517 375 HB3 GLU 45 3HB GLU 45 6.070 -9.781 1.413 376 HG2 GLU 45 2HG GLU 45 3.807 -9.206 0.585 377 HG3 GLU 45 3HG GLU 45 3.728 -10.777 -0.210 378 H ASN 46 H ASN 46 7.885 -9.385 -2.647 379 HA ASN 46 HA ASN 46 10.118 -9.519 -2.982 380 HB2 ASN 46 2HB ASN 46 10.139 -8.105 -0.307 381 HB3 ASN 46 3HB ASN 46 11.547 -8.268 -1.359 382 HD21 ASN 46 1HD2 ASN 46 8.465 -6.728 -0.926 383 HD22 ASN 46 2HD2 ASN 46 8.666 -5.549 -2.170 384 H THR 47 H THR 47 8.827 -11.775 -1.640 385 HA THR 47 HA THR 47 11.256 -13.007 -0.492 386 HB THR 47 HB THR 47 9.616 -12.679 1.311 387 HG1 THR 47 HG1 THR 47 9.294 -15.345 1.256 388 HG21 THR 47 3HG2 THR 47 7.556 -12.722 -0.035 389 HG22 THR 47 1HG2 THR 47 7.475 -13.874 1.298 390 HG23 THR 47 2HG2 THR 47 7.794 -14.444 -0.341 391 H ALA 48 H ALA 48 10.794 -15.561 -0.448 392 HA ALA 48 HA ALA 48 10.729 -16.379 -3.166 393 HB1 ALA 48 3HB ALA 48 11.011 -18.641 -2.286 394 HB2 ALA 48 1HB ALA 48 10.645 -18.062 -0.660 395 HB3 ALA 48 2HB ALA 48 12.102 -17.510 -1.486 396 H ASN 49 H ASN 49 9.357 -18.494 -3.662 397 HA ASN 49 HA ASN 49 6.563 -17.667 -3.421 398 HB2 ASN 49 2HB ASN 49 7.803 -19.849 -5.119 399 HB3 ASN 49 3HB ASN 49 6.132 -19.301 -5.204 400 HD21 ASN 49 1HD2 ASN 49 5.694 -17.255 -6.075 401 HD22 ASN 49 2HD2 ASN 49 6.844 -16.430 -7.061 402 HA PRO 50 HA PRO 50 5.898 -20.836 -0.221 403 HB2 PRO 50 2HB PRO 50 3.158 -20.467 -0.172 404 HB3 PRO 50 3HB PRO 50 4.310 -19.517 0.770 405 HG2 PRO 50 2HG PRO 50 2.986 -18.847 -1.833 406 HG3 PRO 50 3HG PRO 50 3.295 -17.808 -0.428 407 HD2 PRO 50 2HD PRO 50 4.842 -17.694 -2.621 408 HD3 PRO 50 3HD PRO 50 5.523 -17.485 -0.993 409 H HIS 51 H HIS 51 4.199 -20.476 -3.292 410 HA HIS 51 HA HIS 51 4.505 -23.349 -3.728 411 HB2 HIS 51 2HB HIS 51 1.894 -21.862 -4.083 412 HB3 HIS 51 3HB HIS 51 2.219 -23.423 -4.827 413 HD1 HIS 51 HD1 HIS 51 3.002 -25.314 -2.940 414 HD2 HIS 51 HD2 HIS 51 0.703 -22.099 -1.657 415 HE1 HIS 51 HE1 HIS 51 2.023 -26.024 -0.744 416 HE2 HIS 51 HE2 HIS 51 0.721 -24.030 0.068 417 H PHE 52 H PHE 52 4.950 -23.910 -5.836 418 HA PHE 52 HA PHE 52 6.167 -21.882 -7.405 419 HB2 PHE 52 2HB PHE 52 6.749 -23.684 -8.956 420 HB3 PHE 52 3HB PHE 52 7.059 -24.162 -7.293 421 HD1 PHE 52 HD2 PHE 52 5.330 -25.655 -6.134 422 HD2 PHE 52 HD1 PHE 52 5.395 -24.991 -10.341 423 HE1 PHE 52 HE2 PHE 52 3.984 -27.684 -6.474 424 HE2 PHE 52 HE1 PHE 52 4.048 -27.021 -10.682 425 HZ PHE 52 HZ PHE 52 3.340 -28.370 -8.752 426 H VAL 53 H VAL 53 2.956 -22.491 -7.193 427 HA VAL 53 HA VAL 53 2.045 -22.493 -9.854 428 HB VAL 53 HB VAL 53 0.612 -23.022 -7.924 429 HG11 VAL 53 1HG1 VAL 53 1.407 -21.361 -6.340 430 HG12 VAL 53 2HG1 VAL 53 -0.340 -21.229 -6.538 431 HG13 VAL 53 3HG1 VAL 53 0.726 -20.062 -7.322 432 HG21 VAL 53 3HG2 VAL 53 -0.429 -20.708 -9.573 433 HG22 VAL 53 1HG2 VAL 53 -1.418 -21.860 -8.673 434 HG23 VAL 53 2HG2 VAL 53 -0.446 -22.409 -10.039 435 H ARG 54 H ARG 54 3.457 -19.979 -7.967 436 HA ARG 54 HA ARG 54 4.005 -17.810 -8.389 437 HB2 ARG 54 2HB ARG 54 3.232 -18.433 -11.251 438 HB3 ARG 54 3HB ARG 54 4.195 -17.064 -10.714 439 HG2 ARG 54 2HG ARG 54 4.971 -19.975 -10.570 440 HG3 ARG 54 3HG ARG 54 5.612 -18.766 -11.681 441 HD2 ARG 54 2HD ARG 54 5.934 -18.818 -8.678 442 HD3 ARG 54 3HD ARG 54 7.181 -19.146 -9.879 443 HE ARG 54 HE ARG 54 5.912 -16.504 -9.860 444 HH11 ARG 54 1HH1 ARG 54 8.713 -18.457 -9.365 445 HH12 ARG 54 2HH1 ARG 54 9.754 -17.094 -9.149 446 HH21 ARG 54 1HH2 ARG 54 7.251 -14.779 -9.554 447 HH22 ARG 54 2HH2 ARG 54 8.935 -15.038 -9.258 448 H ARG 55 H ARG 55 1.146 -18.611 -7.834 449 HA ARG 55 HA ARG 55 -0.572 -16.807 -9.197 450 HB2 ARG 55 2HB ARG 55 -1.405 -18.827 -8.094 451 HB3 ARG 55 3HB ARG 55 -0.929 -18.187 -6.527 452 HG2 ARG 55 2HG ARG 55 -2.557 -16.378 -6.754 453 HG3 ARG 55 3HG ARG 55 -3.018 -16.983 -8.347 454 HD2 ARG 55 2HD ARG 55 -3.306 -18.476 -5.734 455 HD3 ARG 55 3HD ARG 55 -4.611 -17.688 -6.621 456 HE ARG 55 HE ARG 55 -4.050 -19.308 -8.462 457 HH11 ARG 55 1HH1 ARG 55 -3.462 -20.082 -5.155 458 HH12 ARG 55 2HH1 ARG 55 -3.562 -21.786 -5.427 459 HH21 ARG 55 1HH2 ARG 55 -4.174 -21.502 -8.779 460 HH22 ARG 55 2HH2 ARG 55 -3.980 -22.571 -7.434 461 H ASN 56 H ASN 56 0.254 -14.728 -9.128 462 HA ASN 56 HA ASN 56 0.933 -13.430 -6.652 463 HB2 ASN 56 2HB ASN 56 0.504 -12.312 -9.436 464 HB3 ASN 56 3HB ASN 56 1.112 -11.385 -8.070 465 HD21 ASN 56 1HD2 ASN 56 2.370 -12.021 -10.635 466 HD22 ASN 56 2HD2 ASN 56 3.853 -12.810 -10.243 467 H ILE 57 H ILE 57 -0.744 -13.240 -5.252 468 HA ILE 57 HA ILE 57 -3.106 -11.724 -6.171 469 HB ILE 57 HB ILE 57 -3.835 -14.002 -5.880 470 HG12 ILE 57 2HG1 ILE 57 -4.698 -12.300 -3.519 471 HG13 ILE 57 3HG1 ILE 57 -5.380 -12.225 -5.140 472 HG21 ILE 57 1HG2 ILE 57 -3.614 -15.223 -3.778 473 HG22 ILE 57 2HG2 ILE 57 -2.715 -13.878 -3.076 474 HG23 ILE 57 3HG2 ILE 57 -2.028 -14.792 -4.421 475 HD11 ILE 57 3HD1 ILE 57 -6.172 -14.535 -4.887 476 HD12 ILE 57 1HD1 ILE 57 -6.838 -13.451 -3.670 477 HD13 ILE 57 2HD1 ILE 57 -5.533 -14.556 -3.243 478 H ILE 58 H ILE 58 -3.635 -10.003 -4.985 479 HA ILE 58 HA ILE 58 -2.012 -9.291 -2.675 480 HB ILE 58 HB ILE 58 -4.179 -7.738 -4.116 481 HG12 ILE 58 2HG1 ILE 58 -1.160 -7.516 -4.320 482 HG13 ILE 58 3HG1 ILE 58 -2.204 -8.247 -5.531 483 HG21 ILE 58 1HG2 ILE 58 -2.170 -6.825 -2.059 484 HG22 ILE 58 2HG2 ILE 58 -3.915 -6.952 -1.839 485 HG23 ILE 58 3HG2 ILE 58 -3.254 -5.770 -2.966 486 HD11 ILE 58 3HD1 ILE 58 -2.201 -5.355 -4.691 487 HD12 ILE 58 1HD1 ILE 58 -3.301 -6.076 -5.866 488 HD13 ILE 58 2HD1 ILE 58 -1.569 -6.021 -6.195 489 H THR 59 H THR 59 -2.739 -9.225 -0.557 490 HA THR 59 HA THR 59 -5.602 -9.476 -0.005 491 HB THR 59 HB THR 59 -4.814 -11.819 -0.206 492 HG1 THR 59 HG1 THR 59 -6.099 -12.354 1.402 493 HG21 THR 59 3HG2 THR 59 -2.489 -11.496 0.531 494 HG22 THR 59 1HG2 THR 59 -3.293 -12.749 1.481 495 HG23 THR 59 2HG2 THR 59 -3.052 -11.142 2.165 496 H ARG 60 H ARG 60 -5.963 -9.584 2.470 497 HA ARG 60 HA ARG 60 -4.759 -7.239 3.586 498 HB2 ARG 60 2HB ARG 60 -7.097 -7.744 4.002 499 HB3 ARG 60 3HB ARG 60 -6.672 -9.272 4.759 500 HG2 ARG 60 2HG ARG 60 -5.600 -8.089 6.600 501 HG3 ARG 60 3HG ARG 60 -5.956 -6.540 5.832 502 HD2 ARG 60 2HD ARG 60 -8.340 -6.947 6.044 503 HD3 ARG 60 3HD ARG 60 -8.035 -8.552 6.706 504 HE ARG 60 HE ARG 60 -6.735 -6.884 8.416 505 HH11 ARG 60 1HH1 ARG 60 -9.964 -7.014 7.218 506 HH12 ARG 60 2HH1 ARG 60 -10.648 -6.380 8.672 507 HH21 ARG 60 1HH2 ARG 60 -7.639 -6.078 10.292 508 HH22 ARG 60 2HH2 ARG 60 -9.356 -5.878 10.391 509 H GLY 61 H GLY 61 -2.850 -7.166 4.588 510 HA2 GLY 61 2HA GLY 61 -1.475 -7.847 6.474 511 HA3 GLY 61 3HA GLY 61 -1.972 -9.506 6.180 512 H ALA 62 H ALA 62 -1.526 -8.473 3.177 513 HA ALA 62 HA ALA 62 1.214 -9.481 3.042 514 HB1 ALA 62 3HB ALA 62 0.847 -9.640 0.641 515 HB2 ALA 62 1HB ALA 62 -0.695 -8.793 0.799 516 HB3 ALA 62 2HB ALA 62 -0.490 -10.393 1.511 517 H VAL 63 H VAL 63 2.970 -8.299 2.376 518 HA VAL 63 HA VAL 63 2.597 -5.390 2.145 519 HB VAL 63 HB VAL 63 5.146 -6.953 2.653 520 HG11 VAL 63 1HG1 VAL 63 6.138 -4.780 3.201 521 HG12 VAL 63 2HG1 VAL 63 4.634 -3.974 2.760 522 HG13 VAL 63 3HG1 VAL 63 5.575 -4.819 1.530 523 HG21 VAL 63 3HG2 VAL 63 4.966 -6.093 4.956 524 HG22 VAL 63 1HG2 VAL 63 3.603 -7.131 4.533 525 HG23 VAL 63 2HG2 VAL 63 3.402 -5.379 4.559 526 H VAL 64 H VAL 64 2.505 -4.604 0.140 527 HA VAL 64 HA VAL 64 3.927 -5.980 -2.040 528 HB VAL 64 HB VAL 64 2.484 -4.709 -3.579 529 HG11 VAL 64 1HG1 VAL 64 1.745 -6.904 -2.813 530 HG12 VAL 64 2HG1 VAL 64 0.366 -5.834 -3.062 531 HG13 VAL 64 3HG1 VAL 64 0.940 -6.166 -1.427 532 HG21 VAL 64 3HG2 VAL 64 2.153 -2.696 -2.228 533 HG22 VAL 64 1HG2 VAL 64 1.179 -3.614 -1.080 534 HG23 VAL 64 2HG2 VAL 64 0.606 -3.375 -2.732 535 H GLU 65 H GLU 65 5.090 -4.730 -3.632 536 HA GLU 65 HA GLU 65 6.492 -2.467 -2.396 537 HB2 GLU 65 2HB GLU 65 7.777 -4.418 -3.300 538 HB3 GLU 65 3HB GLU 65 7.215 -3.989 -4.910 539 HG2 GLU 65 2HG GLU 65 9.445 -3.162 -4.610 540 HG3 GLU 65 3HG GLU 65 8.333 -1.796 -4.684 541 H THR 66 H THR 66 6.042 -0.431 -2.965 542 HA THR 66 HA THR 66 4.785 0.089 -5.606 543 HB THR 66 HB THR 66 3.442 1.853 -4.648 544 HG1 THR 66 HG1 THR 66 4.505 1.197 -2.085 545 HG21 THR 66 3HG2 THR 66 3.245 -0.630 -2.926 546 HG22 THR 66 1HG2 THR 66 2.484 -0.397 -4.504 547 HG23 THR 66 2HG2 THR 66 1.984 0.586 -3.129 548 H ASN 67 H ASN 67 4.945 2.521 -6.174 549 HA ASN 67 HA ASN 67 7.622 3.307 -6.398 550 HB2 ASN 67 2HB ASN 67 6.703 5.547 -7.078 551 HB3 ASN 67 3HB ASN 67 6.011 4.182 -7.946 552 HD21 ASN 67 1HD2 ASN 67 4.250 5.554 -8.467 553 HD22 ASN 67 2HD2 ASN 67 3.004 5.864 -7.314 554 H LEU 68 H LEU 68 5.243 4.083 -3.917 555 HA LEU 68 HA LEU 68 6.845 6.063 -2.593 556 HB2 LEU 68 2HB LEU 68 4.560 4.443 -1.456 557 HB3 LEU 68 3HB LEU 68 5.206 5.937 -0.806 558 HG LEU 68 HG LEU 68 3.640 5.595 -3.367 559 HD11 LEU 68 1HD1 LEU 68 2.286 5.561 -1.347 560 HD12 LEU 68 2HD1 LEU 68 2.005 7.039 -2.264 561 HD13 LEU 68 3HD1 LEU 68 3.010 7.079 -0.815 562 HD21 LEU 68 3HD2 LEU 68 3.798 8.048 -3.597 563 HD22 LEU 68 1HD2 LEU 68 5.357 7.245 -3.779 564 HD23 LEU 68 2HD2 LEU 68 4.966 8.082 -2.274 565 H GLY 69 H GLY 69 6.476 2.589 -2.364 566 HA2 GLY 69 2HA GLY 69 8.676 1.639 -1.379 567 HA3 GLY 69 3HA GLY 69 8.149 2.494 0.062 568 H ASN 70 H ASN 70 8.142 0.453 1.163 569 HA ASN 70 HA ASN 70 6.528 -1.742 0.364 570 HB2 ASN 70 2HB ASN 70 7.367 -1.115 3.200 571 HB3 ASN 70 3HB ASN 70 7.010 -2.692 2.507 572 HD21 ASN 70 1HD2 ASN 70 8.528 -1.989 0.028 573 HD22 ASN 70 2HD2 ASN 70 10.184 -2.134 0.479 574 H VAL 71 H VAL 71 4.377 -2.030 0.526 575 HA VAL 71 HA VAL 71 2.858 -0.317 2.406 576 HB VAL 71 HB VAL 71 2.011 -1.116 -0.392 577 HG11 VAL 71 1HG1 VAL 71 0.106 -1.027 1.129 578 HG12 VAL 71 2HG1 VAL 71 0.061 0.325 -0.001 579 HG13 VAL 71 3HG1 VAL 71 0.589 0.583 1.662 580 HG21 VAL 71 3HG2 VAL 71 3.715 0.622 -0.423 581 HG22 VAL 71 1HG2 VAL 71 2.789 1.578 0.737 582 HG23 VAL 71 2HG2 VAL 71 2.150 1.292 -0.883 583 H ARG 72 H ARG 72 1.828 -1.503 3.907 584 HA ARG 72 HA ARG 72 1.257 -4.314 3.455 585 HB2 ARG 72 2HB ARG 72 2.091 -3.523 5.655 586 HB3 ARG 72 3HB ARG 72 0.615 -2.592 5.864 587 HG2 ARG 72 2HG ARG 72 -0.708 -4.608 5.899 588 HG3 ARG 72 3HG ARG 72 0.709 -5.589 5.535 589 HD2 ARG 72 2HD ARG 72 0.217 -5.755 7.882 590 HD3 ARG 72 3HD ARG 72 1.715 -4.851 7.671 591 HE ARG 72 HE ARG 72 -0.394 -3.021 7.822 592 HH11 ARG 72 1HH1 ARG 72 1.126 -5.354 9.855 593 HH12 ARG 72 2HH1 ARG 72 0.835 -4.446 11.297 594 HH21 ARG 72 1HH2 ARG 72 -0.791 -1.889 9.699 595 HH22 ARG 72 2HH2 ARG 72 -0.237 -2.517 11.212 596 H VAL 73 H VAL 73 -0.510 -4.896 2.392 597 HA VAL 73 HA VAL 73 -2.647 -3.093 1.837 598 HB VAL 73 HB VAL 73 -2.439 -6.057 1.280 599 HG11 VAL 73 1HG1 VAL 73 -4.277 -3.973 0.089 600 HG12 VAL 73 2HG1 VAL 73 -4.751 -5.295 1.159 601 HG13 VAL 73 3HG1 VAL 73 -4.131 -5.646 -0.454 602 HG21 VAL 73 3HG2 VAL 73 -0.604 -4.766 0.288 603 HG22 VAL 73 1HG2 VAL 73 -1.773 -3.688 -0.478 604 HG23 VAL 73 2HG2 VAL 73 -1.694 -5.385 -0.950 605 H THR 74 H THR 74 -4.554 -2.820 2.798 606 HA THR 74 HA THR 74 -5.335 -4.615 5.006 607 HB THR 74 HB THR 74 -6.740 -2.778 5.819 608 HG1 THR 74 HG1 THR 74 -7.177 -1.098 4.587 609 HG21 THR 74 3HG2 THR 74 -3.922 -1.868 5.188 610 HG22 THR 74 1HG2 THR 74 -4.402 -2.862 6.565 611 HG23 THR 74 2HG2 THR 74 -4.970 -1.196 6.439 612 H SER 75 H SER 75 -6.472 -3.213 1.986 613 HA SER 75 HA SER 75 -9.001 -4.730 2.248 614 HB2 SER 75 2HB SER 75 -9.334 -2.294 2.046 615 HB3 SER 75 3HB SER 75 -8.456 -2.303 0.517 616 HG SER 75 HG SER 75 -10.391 -2.618 -0.275 617 H ARG 76 H ARG 76 -9.565 -6.203 0.711 618 HA ARG 76 HA ARG 76 -7.414 -7.110 -0.991 619 HB2 ARG 76 2HB ARG 76 -10.181 -8.279 -0.621 620 HB3 ARG 76 3HB ARG 76 -8.823 -9.063 -1.422 621 HG2 ARG 76 2HG ARG 76 -7.581 -8.881 0.768 622 HG3 ARG 76 3HG ARG 76 -9.113 -8.393 1.496 623 HD2 ARG 76 2HD ARG 76 -8.472 -11.013 0.139 624 HD3 ARG 76 3HD ARG 76 -8.828 -10.752 1.845 625 HE ARG 76 HE ARG 76 -10.793 -10.484 -0.336 626 HH11 ARG 76 1HH1 ARG 76 -10.040 -11.113 2.963 627 HH12 ARG 76 2HH1 ARG 76 -11.636 -11.666 3.330 628 HH21 ARG 76 1HH2 ARG 76 -12.839 -11.188 0.159 629 HH22 ARG 76 2HH2 ARG 76 -13.196 -11.712 1.765 630 HA PRO 77 HA PRO 77 -8.520 -5.178 -4.756 631 HB2 PRO 77 2HB PRO 77 -7.624 -7.047 -6.555 632 HB3 PRO 77 3HB PRO 77 -6.558 -5.970 -5.644 633 HG2 PRO 77 2HG PRO 77 -7.321 -8.812 -5.052 634 HG3 PRO 77 3HG PRO 77 -5.714 -8.057 -5.006 635 HD2 PRO 77 2HD PRO 77 -7.107 -8.458 -2.761 636 HD3 PRO 77 3HD PRO 77 -6.139 -6.988 -2.983 637 H GLY 78 H GLY 78 -10.793 -5.160 -4.719 638 HA2 GLY 78 2HA GLY 78 -12.240 -5.903 -6.764 639 HA3 GLY 78 3HA GLY 78 -12.174 -7.455 -5.942 640 H GLN 79 H GLN 79 -12.274 -6.101 -3.272 641 HA GLN 79 HA GLN 79 -14.986 -6.370 -2.749 642 HB2 GLN 79 2HB GLN 79 -13.021 -4.661 -1.203 643 HB3 GLN 79 3HB GLN 79 -14.532 -5.317 -0.588 644 HG2 GLN 79 2HG GLN 79 -12.142 -6.928 -1.482 645 HG3 GLN 79 3HG GLN 79 -12.612 -6.607 0.188 646 HE21 GLN 79 1HE2 GLN 79 -12.333 -9.141 -1.326 647 HE22 GLN 79 2HE2 GLN 79 -13.854 -9.939 -1.147 648 H ASP 80 H ASP 80 -13.344 -3.205 -2.527 649 HA ASP 80 HA ASP 80 -15.791 -1.887 -3.477 650 HB2 ASP 80 2HB ASP 80 -13.272 -0.772 -2.210 651 HB3 ASP 80 3HB ASP 80 -14.653 0.201 -2.715 652 H GLY 81 H GLY 81 -13.711 -3.378 -5.163 653 HA2 GLY 81 2HA GLY 81 -12.931 -3.132 -7.332 654 HA3 GLY 81 3HA GLY 81 -13.548 -1.490 -7.329 655 H VAL 82 H VAL 82 -12.058 -0.690 -4.959 656 HA VAL 82 HA VAL 82 -9.414 -0.333 -6.176 657 HB VAL 82 HB VAL 82 -10.715 1.684 -5.556 658 HG11 VAL 82 1HG1 VAL 82 -10.996 2.283 -3.185 659 HG12 VAL 82 2HG1 VAL 82 -10.382 0.696 -2.718 660 HG13 VAL 82 3HG1 VAL 82 -11.897 0.829 -3.613 661 HG21 VAL 82 3HG2 VAL 82 -8.166 1.310 -3.977 662 HG22 VAL 82 1HG2 VAL 82 -8.908 2.860 -4.380 663 HG23 VAL 82 2HG2 VAL 82 -8.290 1.819 -5.660 664 H ILE 83 H ILE 83 -7.503 -0.425 -4.828 665 HA ILE 83 HA ILE 83 -7.673 -2.385 -2.628 666 HB ILE 83 HB ILE 83 -5.222 -1.521 -4.187 667 HG12 ILE 83 2HG1 ILE 83 -6.835 -4.064 -4.557 668 HG13 ILE 83 3HG1 ILE 83 -6.956 -2.663 -5.618 669 HG21 ILE 83 1HG2 ILE 83 -4.730 -2.435 -1.973 670 HG22 ILE 83 2HG2 ILE 83 -4.192 -3.536 -3.240 671 HG23 ILE 83 3HG2 ILE 83 -5.673 -3.878 -2.349 672 HD11 ILE 83 3HD1 ILE 83 -5.533 -4.363 -6.585 673 HD12 ILE 83 1HD1 ILE 83 -4.499 -4.342 -5.158 674 HD13 ILE 83 2HD1 ILE 83 -4.588 -2.924 -6.204 675 H ASN 84 H ASN 84 -6.757 -1.904 -0.605 676 HA ASN 84 HA ASN 84 -5.660 0.822 -0.258 677 HB2 ASN 84 2HB ASN 84 -7.561 -0.628 1.601 678 HB3 ASN 84 3HB ASN 84 -6.739 0.880 1.991 679 HD21 ASN 84 1HD2 ASN 84 -7.372 2.777 0.948 680 HD22 ASN 84 2HD2 ASN 84 -8.872 2.900 0.104 681 H GLY 85 H GLY 85 -3.987 1.077 1.239 682 HA2 GLY 85 2HA GLY 85 -3.084 -1.204 2.818 683 HA3 GLY 85 3HA GLY 85 -2.012 -0.721 1.513 684 H VAL 86 H VAL 86 -0.762 -0.590 3.761 685 HA VAL 86 HA VAL 86 -0.838 2.243 4.618 686 HB VAL 86 HB VAL 86 0.136 -0.018 6.371 687 HG11 VAL 86 1HG1 VAL 86 -0.201 1.608 8.183 688 HG12 VAL 86 2HG1 VAL 86 -0.694 2.814 6.993 689 HG13 VAL 86 3HG1 VAL 86 0.953 2.182 6.975 690 HG21 VAL 86 3HG2 VAL 86 -2.009 0.063 7.555 691 HG22 VAL 86 1HG2 VAL 86 -2.204 -0.462 5.882 692 HG23 VAL 86 2HG2 VAL 86 -2.632 1.186 6.346 693 H LEU 87 H LEU 87 1.043 3.355 4.366 694 HA LEU 87 HA LEU 87 3.281 2.093 3.083 695 HB2 LEU 87 2HB LEU 87 2.588 4.390 2.542 696 HB3 LEU 87 3HB LEU 87 2.984 4.900 4.171 697 HG LEU 87 HG LEU 87 5.371 4.344 3.741 698 HD11 LEU 87 1HD1 LEU 87 6.112 3.936 1.438 699 HD12 LEU 87 2HD1 LEU 87 4.430 3.845 0.912 700 HD13 LEU 87 3HD1 LEU 87 5.072 2.639 2.027 701 HD21 LEU 87 3HD2 LEU 87 4.580 6.628 3.445 702 HD22 LEU 87 1HD2 LEU 87 4.129 6.275 1.774 703 HD23 LEU 87 2HD2 LEU 87 5.825 6.244 2.259 704 H ILE 88 H ILE 88 4.571 0.795 4.253 705 HA ILE 88 HA ILE 88 5.563 1.785 6.857 706 HB ILE 88 HB ILE 88 5.820 -0.515 7.611 707 HG12 ILE 88 2HG1 ILE 88 4.744 -1.194 4.873 708 HG13 ILE 88 3HG1 ILE 88 6.254 -1.712 5.594 709 HG21 ILE 88 1HG2 ILE 88 3.034 0.027 6.568 710 HG22 ILE 88 2HG2 ILE 88 3.715 0.636 8.077 711 HG23 ILE 88 3HG2 ILE 88 3.451 -1.095 7.866 712 HD11 ILE 88 3HD1 ILE 88 4.993 -3.063 7.218 713 HD12 ILE 88 1HD1 ILE 88 4.706 -3.546 5.547 714 HD13 ILE 88 2HD1 ILE 88 3.499 -2.594 6.408 715 H ARG 89 H ARG 89 7.669 0.446 7.432 716 HA ARG 89 HA ARG 89 9.452 0.442 5.079 717 HB2 ARG 89 2HB ARG 89 10.169 1.607 7.785 718 HB3 ARG 89 3HB ARG 89 11.195 1.565 6.357 719 HG2 ARG 89 2HG ARG 89 8.644 3.147 6.682 720 HG3 ARG 89 3HG ARG 89 10.287 3.789 6.689 721 HD2 ARG 89 2HD ARG 89 8.917 2.429 4.363 722 HD3 ARG 89 3HD ARG 89 9.198 4.159 4.535 723 HE ARG 89 HE ARG 89 11.624 3.595 4.475 724 HH11 ARG 89 1HH1 ARG 89 9.320 1.443 3.095 725 HH12 ARG 89 2HH1 ARG 89 10.435 0.821 1.924 726 HH21 ARG 89 1HH2 ARG 89 13.045 2.802 2.969 727 HH22 ARG 89 2HH2 ARG 89 12.530 1.574 1.863 728 H GLU 90 H GLU 90 9.535 -1.800 5.002 729 HA GLU 90 HA GLU 90 10.485 -3.220 7.411 730 HB2 GLU 90 2HB GLU 90 9.191 -4.349 4.912 731 HB3 GLU 90 3HB GLU 90 9.636 -5.260 6.349 732 HG2 GLU 90 2HG GLU 90 7.577 -3.057 6.260 733 HG3 GLU 90 3HG GLU 90 7.228 -4.784 6.216 734 H LEU 91 H LEU 91 10.975 -3.078 3.894 735 HA LEU 91 HA LEU 91 13.218 -4.846 3.909 736 HB2 LEU 91 2HB LEU 91 12.254 -2.937 1.776 737 HB3 LEU 91 3HB LEU 91 13.433 -4.214 1.539 738 HG LEU 91 HG LEU 91 10.532 -4.631 2.296 739 HD11 LEU 91 1HD1 LEU 91 10.286 -5.507 0.029 740 HD12 LEU 91 2HD1 LEU 91 11.964 -5.089 -0.323 741 HD13 LEU 91 3HD1 LEU 91 10.789 -3.816 0.013 742 HD21 LEU 91 3HD2 LEU 91 12.717 -6.622 1.652 743 HD22 LEU 91 1HD2 LEU 91 11.008 -7.015 1.854 744 HD23 LEU 91 2HD2 LEU 91 11.935 -6.387 3.215 745 H GLU 92 H GLU 92 15.217 -4.010 2.555 746 HA GLU 92 HA GLU 92 16.792 -2.512 4.283 747 HB2 GLU 92 2HB GLU 92 17.641 -4.119 2.625 748 HB3 GLU 92 3HB GLU 92 17.194 -3.022 1.327 749 HG2 GLU 92 2HG GLU 92 18.813 -1.395 2.095 750 HG3 GLU 92 3HG GLU 92 19.216 -2.413 3.478 751 H HIS 93 H HIS 93 16.733 -0.402 4.746 752 HA HIS 93 HA HIS 93 15.617 1.504 2.828 753 HB2 HIS 93 2HB HIS 93 15.728 3.121 4.702 754 HB3 HIS 93 3HB HIS 93 14.820 1.674 5.120 755 HD1 HIS 93 HD1 HIS 93 15.770 0.186 6.999 756 HD2 HIS 93 HD2 HIS 93 18.177 3.447 6.089 757 HE1 HIS 93 HE1 HIS 93 17.453 0.311 8.846 758 HE2 HIS 93 HE2 HIS 93 18.791 2.378 8.360 759 H HIS 94 H HIS 94 16.779 3.078 1.778 760 HA HIS 94 HA HIS 94 19.709 2.930 2.098 761 HB2 HIS 94 2HB HIS 94 18.061 3.776 -0.296 762 HB3 HIS 94 3HB HIS 94 19.823 3.767 -0.231 763 HD1 HIS 94 HD1 HIS 94 17.267 1.842 -1.590 764 HD2 HIS 94 HD2 HIS 94 20.618 0.882 0.671 765 HE1 HIS 94 HE1 HIS 94 17.685 -0.590 -2.019 766 HE2 HIS 94 HE2 HIS 94 19.637 -1.182 -0.550 767 H HIS 95 H HIS 95 20.936 4.757 2.375 768 HA HIS 95 HA HIS 95 19.425 7.197 3.066 769 HB2 HIS 95 2HB HIS 95 21.236 7.763 4.596 770 HB3 HIS 95 3HB HIS 95 20.642 6.143 4.936 771 HD1 HIS 95 HD1 HIS 95 23.689 8.011 4.169 772 HD2 HIS 95 HD2 HIS 95 22.447 4.045 4.006 773 HE1 HIS 95 HE1 HIS 95 25.787 6.653 3.960 774 HE2 HIS 95 HE2 HIS 95 25.024 4.262 4.011 775 H HIS 96 H HIS 96 22.517 6.193 1.551 776 HA HIS 96 HA HIS 96 23.086 8.884 0.669 777 HB2 HIS 96 2HB HIS 96 24.852 7.179 1.305 778 HB3 HIS 96 3HB HIS 96 24.484 6.340 -0.196 779 HD1 HIS 96 HD1 HIS 96 24.926 7.816 -2.447 780 HD2 HIS 96 HD2 HIS 96 26.671 9.196 1.069 781 HE1 HIS 96 HE1 HIS 96 26.723 9.417 -3.165 782 HE2 HIS 96 HE2 HIS 96 27.827 10.162 -1.034 783 H HIS 97 H HIS 97 21.320 9.405 -0.598 784 HA HIS 97 HA HIS 97 20.686 7.712 -2.920 785 HB2 HIS 97 2HB HIS 97 18.593 9.137 -2.996 786 HB3 HIS 97 3HB HIS 97 18.775 8.129 -1.564 787 HD1 HIS 97 HD1 HIS 97 18.804 9.281 0.667 788 HD2 HIS 97 HD2 HIS 97 19.133 11.949 -2.500 789 HE1 HIS 97 HE1 HIS 97 18.614 11.559 1.689 790 HE2 HIS 97 HE2 HIS 97 19.040 13.145 -0.210 791 H HIS 98 H HIS 98 19.853 8.956 -4.881 792 HA HIS 98 HA HIS 98 21.246 11.502 -5.322 793 HB2 HIS 98 2HB HIS 98 22.691 9.700 -6.227 794 HB3 HIS 98 3HB HIS 98 21.366 9.169 -7.258 795 HD1 HIS 98 HD1 HIS 98 23.574 12.208 -6.728 796 HD2 HIS 98 HD2 HIS 98 21.253 10.442 -9.692 797 HE1 HIS 98 HE1 HIS 98 23.977 13.564 -8.800 798 HE2 HIS 98 HE2 HIS 98 22.440 12.583 -10.524 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 23.169 -19.372 -3.486 2 H2 GLY 1 2H GLY 1 24.265 -19.111 -2.224 3 H3 GLY 1 3H GLY 1 24.125 -20.646 -2.919 4 HA2 GLY 1 2HA GLY 1 26.131 -19.526 -3.693 5 HA3 GLY 1 3HA GLY 1 25.008 -19.858 -5.004 6 H ASP 2 H ASP 2 24.186 -18.163 -6.187 7 HA ASP 2 HA ASP 2 25.329 -15.534 -5.704 8 HB2 ASP 2 2HB ASP 2 24.318 -14.963 -7.893 9 HB3 ASP 2 3HB ASP 2 25.332 -16.401 -7.977 10 H ARG 3 H ARG 3 23.505 -13.741 -6.545 11 HA ARG 3 HA ARG 3 21.405 -13.944 -4.482 12 HB2 ARG 3 2HB ARG 3 21.543 -11.375 -4.453 13 HB3 ARG 3 3HB ARG 3 22.837 -12.278 -3.682 14 HG2 ARG 3 2HG ARG 3 23.087 -11.306 -6.513 15 HG3 ARG 3 3HG ARG 3 23.451 -10.258 -5.143 16 HD2 ARG 3 2HD ARG 3 25.225 -11.653 -4.418 17 HD3 ARG 3 3HD ARG 3 24.716 -12.974 -5.469 18 HE ARG 3 HE ARG 3 25.443 -10.589 -6.901 19 HH11 ARG 3 1HH1 ARG 3 26.692 -13.422 -5.393 20 HH12 ARG 3 2HH1 ARG 3 28.062 -13.510 -6.441 21 HH21 ARG 3 1HH2 ARG 3 27.216 -10.707 -8.232 22 HH22 ARG 3 2HH2 ARG 3 28.344 -12.009 -8.047 23 H ARG 4 H ARG 4 22.065 -12.225 -7.586 24 HA ARG 4 HA ARG 4 19.600 -13.117 -8.694 25 HB2 ARG 4 2HB ARG 4 18.352 -11.095 -8.865 26 HB3 ARG 4 3HB ARG 4 18.771 -11.297 -7.177 27 HG2 ARG 4 2HG ARG 4 20.167 -9.434 -9.101 28 HG3 ARG 4 3HG ARG 4 18.926 -8.965 -7.941 29 HD2 ARG 4 2HD ARG 4 20.495 -9.954 -6.160 30 HD3 ARG 4 3HD ARG 4 21.733 -9.905 -7.416 31 HE ARG 4 HE ARG 4 20.269 -7.497 -6.549 32 HH11 ARG 4 1HH1 ARG 4 23.225 -9.064 -7.401 33 HH12 ARG 4 2HH1 ARG 4 24.175 -7.657 -7.098 34 HH21 ARG 4 1HH2 ARG 4 21.508 -5.702 -6.166 35 HH22 ARG 4 2HH2 ARG 4 23.220 -5.780 -6.402 36 H VAL 5 H VAL 5 19.504 -12.868 -10.911 37 HA VAL 5 HA VAL 5 21.905 -11.679 -12.154 38 HB VAL 5 HB VAL 5 20.061 -13.802 -13.279 39 HG11 VAL 5 1HG1 VAL 5 21.118 -12.468 -15.025 40 HG12 VAL 5 2HG1 VAL 5 21.804 -14.093 -14.993 41 HG13 VAL 5 3HG1 VAL 5 22.703 -12.741 -14.298 42 HG21 VAL 5 3HG2 VAL 5 21.316 -14.657 -11.369 43 HG22 VAL 5 1HG2 VAL 5 22.823 -14.073 -12.076 44 HG23 VAL 5 2HG2 VAL 5 21.920 -15.365 -12.868 45 H ARG 6 H ARG 6 21.543 -9.739 -13.050 46 HA ARG 6 HA ARG 6 18.919 -9.238 -14.314 47 HB2 ARG 6 2HB ARG 6 20.875 -7.271 -13.107 48 HB3 ARG 6 3HB ARG 6 19.432 -6.809 -13.998 49 HG2 ARG 6 2HG ARG 6 19.417 -8.450 -11.464 50 HG3 ARG 6 3HG ARG 6 19.178 -6.704 -11.532 51 HD2 ARG 6 2HD ARG 6 17.017 -7.712 -11.409 52 HD3 ARG 6 3HD ARG 6 17.223 -7.116 -13.054 53 HE ARG 6 HE ARG 6 17.826 -9.926 -12.513 54 HH11 ARG 6 1HH1 ARG 6 15.674 -7.604 -13.885 55 HH12 ARG 6 2HH1 ARG 6 14.852 -8.776 -14.849 56 HH21 ARG 6 1HH2 ARG 6 16.787 -11.408 -13.771 57 HH22 ARG 6 2HH2 ARG 6 15.477 -10.912 -14.791 58 H LEU 7 H LEU 7 19.731 -10.310 -16.257 59 HA LEU 7 HA LEU 7 21.857 -9.202 -17.797 60 HB2 LEU 7 2HB LEU 7 20.772 -11.515 -18.014 61 HB3 LEU 7 3HB LEU 7 19.478 -10.722 -18.885 62 HG LEU 7 HG LEU 7 22.368 -10.639 -19.788 63 HD11 LEU 7 1HD1 LEU 7 21.771 -12.384 -21.399 64 HD12 LEU 7 2HD1 LEU 7 20.180 -12.530 -20.657 65 HD13 LEU 7 3HD1 LEU 7 21.625 -12.955 -19.738 66 HD21 LEU 7 3HD2 LEU 7 21.355 -10.066 -21.980 67 HD22 LEU 7 1HD2 LEU 7 21.028 -8.858 -20.737 68 HD23 LEU 7 2HD2 LEU 7 19.770 -10.002 -21.204 69 H ILE 8 H ILE 8 18.373 -9.145 -18.605 70 HA ILE 8 HA ILE 8 18.717 -6.491 -19.808 71 HB ILE 8 HB ILE 8 17.652 -8.121 -21.246 72 HG12 ILE 8 2HG1 ILE 8 15.634 -6.101 -20.217 73 HG13 ILE 8 3HG1 ILE 8 16.883 -5.785 -21.415 74 HG21 ILE 8 1HG2 ILE 8 15.549 -8.433 -19.096 75 HG22 ILE 8 2HG2 ILE 8 16.761 -9.633 -19.548 76 HG23 ILE 8 3HG2 ILE 8 15.506 -9.173 -20.699 77 HD11 ILE 8 3HD1 ILE 8 14.579 -7.697 -21.746 78 HD12 ILE 8 1HD1 ILE 8 15.821 -7.348 -22.950 79 HD13 ILE 8 2HD1 ILE 8 14.701 -6.082 -22.445 80 H ARG 9 H ARG 9 17.979 -4.693 -18.825 81 HA ARG 9 HA ARG 9 16.263 -5.022 -16.450 82 HB2 ARG 9 2HB ARG 9 18.123 -2.746 -17.199 83 HB3 ARG 9 3HB ARG 9 17.062 -2.741 -15.796 84 HG2 ARG 9 2HG ARG 9 19.110 -3.377 -14.907 85 HG3 ARG 9 3HG ARG 9 18.272 -4.912 -15.119 86 HD2 ARG 9 2HD ARG 9 20.483 -5.259 -15.892 87 HD3 ARG 9 3HD ARG 9 19.481 -5.124 -17.338 88 HE ARG 9 HE ARG 9 20.744 -2.668 -16.449 89 HH11 ARG 9 1HH1 ARG 9 20.948 -5.408 -18.535 90 HH12 ARG 9 2HH1 ARG 9 22.095 -4.651 -19.583 91 HH21 ARG 9 1HH2 ARG 9 22.249 -1.731 -17.785 92 HH22 ARG 9 2HH2 ARG 9 22.836 -2.612 -19.156 93 H THR 10 H THR 10 16.705 -2.841 -19.252 94 HA THR 10 HA THR 10 13.916 -1.964 -18.975 95 HB THR 10 HB THR 10 15.400 -0.125 -19.358 96 HG1 THR 10 HG1 THR 10 14.607 0.420 -21.658 97 HG21 THR 10 3HG2 THR 10 17.286 -1.327 -20.369 98 HG22 THR 10 1HG2 THR 10 16.822 0.059 -21.354 99 HG23 THR 10 2HG2 THR 10 16.353 -1.569 -21.846 100 H ARG 11 H ARG 11 12.328 -2.800 -20.158 101 HA ARG 11 HA ARG 11 12.993 -4.179 -22.691 102 HB2 ARG 11 2HB ARG 11 11.140 -5.723 -22.267 103 HB3 ARG 11 3HB ARG 11 12.314 -5.780 -20.963 104 HG2 ARG 11 2HG ARG 11 10.468 -5.701 -19.665 105 HG3 ARG 11 3HG ARG 11 10.602 -3.965 -19.938 106 HD2 ARG 11 2HD ARG 11 8.318 -4.658 -20.308 107 HD3 ARG 11 3HD ARG 11 9.032 -4.184 -21.850 108 HE ARG 11 HE ARG 11 8.607 -6.979 -20.989 109 HH11 ARG 11 1HH1 ARG 11 8.994 -4.638 -23.487 110 HH12 ARG 11 2HH1 ARG 11 8.513 -5.733 -24.734 111 HH21 ARG 11 1HH2 ARG 11 8.012 -8.378 -22.605 112 HH22 ARG 11 2HH2 ARG 11 7.966 -7.826 -24.244 113 H GLY 12 H GLY 12 12.120 -1.357 -21.995 114 HA2 GLY 12 2HA GLY 12 9.431 -1.154 -23.097 115 HA3 GLY 12 3HA GLY 12 10.420 0.167 -22.496 116 H GLY 13 H GLY 13 11.187 1.547 -23.986 117 HA2 GLY 13 2HA GLY 13 11.886 2.416 -26.000 118 HA3 GLY 13 3HA GLY 13 12.285 0.777 -26.487 119 H ASN 14 H ASN 14 10.766 -0.440 -27.661 120 HA ASN 14 HA ASN 14 8.706 1.123 -29.021 121 HB2 ASN 14 2HB ASN 14 9.618 -1.731 -29.480 122 HB3 ASN 14 3HB ASN 14 8.516 -0.829 -30.512 123 HD21 ASN 14 1HD2 ASN 14 10.054 1.662 -30.209 124 HD22 ASN 14 2HD2 ASN 14 11.457 1.454 -31.191 125 H THR 15 H THR 15 8.787 -0.479 -26.202 126 HA THR 15 HA THR 15 5.945 -1.280 -26.349 127 HB THR 15 HB THR 15 8.062 -2.773 -24.763 128 HG1 THR 15 HG1 THR 15 8.168 -3.011 -27.138 129 HG21 THR 15 3HG2 THR 15 5.821 -2.924 -23.789 130 HG22 THR 15 1HG2 THR 15 6.299 -4.472 -24.488 131 HG23 THR 15 2HG2 THR 15 5.164 -3.429 -25.346 132 H LYS 16 H LYS 16 4.766 -1.082 -24.337 133 HA LYS 16 HA LYS 16 5.308 1.207 -22.833 134 HB2 LYS 16 2HB LYS 16 3.548 0.416 -21.283 135 HB3 LYS 16 3HB LYS 16 3.063 0.318 -22.970 136 HG2 LYS 16 2HG LYS 16 3.164 -2.011 -23.001 137 HG3 LYS 16 3HG LYS 16 4.204 -2.079 -21.577 138 HD2 LYS 16 2HD LYS 16 1.881 -2.807 -21.115 139 HD3 LYS 16 3HD LYS 16 2.374 -1.421 -20.144 140 HE2 LYS 16 2HE LYS 16 1.191 0.065 -21.738 141 HE3 LYS 16 3HE LYS 16 0.642 -1.362 -22.618 142 HZ1 LYS 16 3HZ LYS 16 -0.582 -2.081 -20.720 143 HZ2 LYS 16 1HZ LYS 16 -0.997 -0.473 -21.023 144 HZ3 LYS 16 2HZ LYS 16 0.058 -0.849 -19.756 145 H VAL 17 H VAL 17 5.878 1.497 -20.613 146 HA VAL 17 HA VAL 17 8.083 -0.124 -19.787 147 HB VAL 17 HB VAL 17 8.159 2.255 -19.394 148 HG11 VAL 17 1HG1 VAL 17 5.783 2.705 -19.087 149 HG12 VAL 17 2HG1 VAL 17 6.728 3.382 -17.761 150 HG13 VAL 17 3HG1 VAL 17 5.816 1.892 -17.521 151 HG21 VAL 17 3HG2 VAL 17 8.851 2.280 -17.042 152 HG22 VAL 17 1HG2 VAL 17 9.423 0.830 -17.867 153 HG23 VAL 17 2HG2 VAL 17 8.036 0.739 -16.782 154 H ARG 18 H ARG 18 6.953 -2.141 -19.637 155 HA ARG 18 HA ARG 18 5.952 -3.880 -18.634 156 HB2 ARG 18 2HB ARG 18 6.671 -4.285 -16.271 157 HB3 ARG 18 3HB ARG 18 7.954 -3.949 -17.414 158 HG2 ARG 18 2HG ARG 18 8.732 -2.559 -15.848 159 HG3 ARG 18 3HG ARG 18 7.465 -1.459 -16.381 160 HD2 ARG 18 2HD ARG 18 7.490 -1.709 -13.943 161 HD3 ARG 18 3HD ARG 18 5.979 -2.289 -14.641 162 HE ARG 18 HE ARG 18 6.785 -4.553 -14.306 163 HH11 ARG 18 1HH1 ARG 18 8.580 -2.083 -12.692 164 HH12 ARG 18 2HH1 ARG 18 9.157 -3.156 -11.464 165 HH21 ARG 18 1HH2 ARG 18 7.537 -5.911 -12.726 166 HH22 ARG 18 2HH2 ARG 18 8.585 -5.303 -11.495 167 H LEU 19 H LEU 19 5.302 -1.371 -16.113 168 HA LEU 19 HA LEU 19 2.467 -2.103 -16.243 169 HB2 LEU 19 2HB LEU 19 3.657 -3.530 -14.539 170 HB3 LEU 19 3HB LEU 19 4.018 -2.071 -13.643 171 HG LEU 19 HG LEU 19 1.172 -2.886 -14.246 172 HD11 LEU 19 1HD1 LEU 19 2.258 -4.761 -13.104 173 HD12 LEU 19 2HD1 LEU 19 1.093 -3.958 -12.053 174 HD13 LEU 19 3HD1 LEU 19 2.819 -3.670 -11.835 175 HD21 LEU 19 3HD2 LEU 19 1.484 -0.584 -13.498 176 HD22 LEU 19 1HD2 LEU 19 2.404 -1.141 -12.101 177 HD23 LEU 19 2HD2 LEU 19 0.690 -1.531 -12.242 178 H ALA 20 H ALA 20 1.447 -0.222 -16.586 179 HA ALA 20 HA ALA 20 1.914 2.014 -14.759 180 HB1 ALA 20 3HB ALA 20 2.033 2.381 -17.756 181 HB2 ALA 20 1HB ALA 20 3.408 2.466 -16.656 182 HB3 ALA 20 2HB ALA 20 2.117 3.660 -16.545 183 H SER 21 H SER 21 0.018 2.853 -14.102 184 HA SER 21 HA SER 21 -2.209 3.274 -13.893 185 HB2 SER 21 2HB SER 21 -1.985 4.474 -16.039 186 HB3 SER 21 3HB SER 21 -2.292 2.977 -16.915 187 HG SER 21 HG SER 21 -4.377 2.948 -16.097 188 H ASP 22 H ASP 22 -1.033 0.411 -14.363 189 HA ASP 22 HA ASP 22 -3.496 -1.051 -14.966 190 HB2 ASP 22 2HB ASP 22 -1.548 -1.810 -16.156 191 HB3 ASP 22 3HB ASP 22 -0.614 -1.923 -14.670 192 H THR 23 H THR 23 -0.903 -1.847 -12.661 193 HA THR 23 HA THR 23 -2.921 -2.635 -10.684 194 HB THR 23 HB THR 23 0.078 -3.103 -10.714 195 HG1 THR 23 HG1 THR 23 -0.978 -4.323 -12.309 196 HG21 THR 23 3HG2 THR 23 -2.022 -4.317 -8.905 197 HG22 THR 23 1HG2 THR 23 -0.880 -3.056 -8.428 198 HG23 THR 23 2HG2 THR 23 -0.288 -4.652 -8.887 199 H ARG 24 H ARG 24 -3.498 -1.188 -9.171 200 HA ARG 24 HA ARG 24 -1.520 0.733 -8.151 201 HB2 ARG 24 2HB ARG 24 -2.696 1.821 -10.013 202 HB3 ARG 24 3HB ARG 24 -4.243 1.472 -9.254 203 HG2 ARG 24 2HG ARG 24 -3.758 2.972 -7.439 204 HG3 ARG 24 3HG ARG 24 -2.113 3.219 -8.029 205 HD2 ARG 24 2HD ARG 24 -4.622 3.973 -9.534 206 HD3 ARG 24 3HD ARG 24 -3.639 5.087 -8.585 207 HE ARG 24 HE ARG 24 -2.259 3.652 -10.701 208 HH11 ARG 24 1HH1 ARG 24 -3.871 6.533 -9.741 209 HH12 ARG 24 2HH1 ARG 24 -3.128 7.497 -10.967 210 HH21 ARG 24 1HH2 ARG 24 -1.317 4.884 -12.287 211 HH22 ARG 24 2HH2 ARG 24 -1.712 6.565 -12.409 212 H ILE 25 H ILE 25 -2.119 1.754 -6.137 213 HA ILE 25 HA ILE 25 -4.299 0.520 -4.620 214 HB ILE 25 HB ILE 25 -2.394 -0.956 -4.219 215 HG12 ILE 25 2HG1 ILE 25 -2.892 0.800 -1.795 216 HG13 ILE 25 3HG1 ILE 25 -3.975 -0.468 -2.355 217 HG21 ILE 25 1HG2 ILE 25 -0.940 1.512 -3.258 218 HG22 ILE 25 2HG2 ILE 25 -0.588 0.598 -4.724 219 HG23 ILE 25 3HG2 ILE 25 -0.343 -0.144 -3.143 220 HD11 ILE 25 3HD1 ILE 25 -1.156 -0.857 -1.376 221 HD12 ILE 25 1HD1 ILE 25 -2.231 -2.131 -1.952 222 HD13 ILE 25 2HD1 ILE 25 -2.635 -1.228 -0.493 223 H ASN 26 H ASN 26 -5.194 1.864 -3.122 224 HA ASN 26 HA ASN 26 -4.092 4.553 -2.838 225 HB2 ASN 26 2HB ASN 26 -6.724 3.345 -1.934 226 HB3 ASN 26 3HB ASN 26 -6.255 5.021 -1.651 227 HD21 ASN 26 1HD2 ASN 26 -8.015 5.741 -2.885 228 HD22 ASN 26 2HD2 ASN 26 -8.000 5.663 -4.608 229 H VAL 27 H VAL 27 -2.728 4.997 -1.251 230 HA VAL 27 HA VAL 27 -2.513 3.093 0.989 231 HB VAL 27 HB VAL 27 -0.391 4.967 -0.083 232 HG11 VAL 27 1HG1 VAL 27 0.016 4.311 2.207 233 HG12 VAL 27 2HG1 VAL 27 1.155 3.479 1.146 234 HG13 VAL 27 3HG1 VAL 27 -0.236 2.613 1.801 235 HG21 VAL 27 3HG2 VAL 27 0.579 3.014 -1.196 236 HG22 VAL 27 1HG2 VAL 27 -1.039 3.360 -1.810 237 HG23 VAL 27 2HG2 VAL 27 -0.789 2.030 -0.678 238 H VAL 28 H VAL 28 -2.335 3.780 3.097 239 HA VAL 28 HA VAL 28 -2.894 6.618 3.647 240 HB VAL 28 HB VAL 28 -3.164 4.272 5.546 241 HG11 VAL 28 1HG1 VAL 28 -4.509 5.818 6.886 242 HG12 VAL 28 2HG1 VAL 28 -4.210 7.100 5.712 243 HG13 VAL 28 3HG1 VAL 28 -2.871 6.433 6.649 244 HG21 VAL 28 3HG2 VAL 28 -5.582 4.415 5.143 245 HG22 VAL 28 1HG2 VAL 28 -4.703 3.991 3.675 246 HG23 VAL 28 2HG2 VAL 28 -5.302 5.633 3.900 247 H ASP 29 H ASP 29 -1.403 7.858 4.622 248 HA ASP 29 HA ASP 29 1.185 6.752 5.305 249 HB2 ASP 29 2HB ASP 29 0.879 8.876 4.016 250 HB3 ASP 29 3HB ASP 29 0.207 9.615 5.465 251 HA PRO 30 HA PRO 30 -0.046 6.444 9.623 252 HB2 PRO 30 2HB PRO 30 2.151 5.231 10.575 253 HB3 PRO 30 3HB PRO 30 1.023 4.395 9.500 254 HG2 PRO 30 2HG PRO 30 3.641 5.704 8.847 255 HG3 PRO 30 3HG PRO 30 3.020 4.129 8.316 256 HD2 PRO 30 2HD PRO 30 2.906 6.400 6.780 257 HD3 PRO 30 3HD PRO 30 1.750 5.063 6.635 258 H GLU 31 H GLU 31 2.651 8.309 8.497 259 HA GLU 31 HA GLU 31 3.414 9.244 11.154 260 HB2 GLU 31 2HB GLU 31 4.425 10.129 8.440 261 HB3 GLU 31 3HB GLU 31 5.170 10.469 9.996 262 HG2 GLU 31 2HG GLU 31 4.821 7.689 8.890 263 HG3 GLU 31 3HG GLU 31 6.266 8.666 8.648 264 H THR 32 H THR 32 1.937 10.539 8.225 265 HA THR 32 HA THR 32 1.415 13.117 9.559 266 HB THR 32 HB THR 32 0.968 13.963 7.249 267 HG1 THR 32 HG1 THR 32 2.098 11.518 6.336 268 HG21 THR 32 3HG2 THR 32 3.667 12.636 7.599 269 HG22 THR 32 1HG2 THR 32 3.203 14.205 8.262 270 HG23 THR 32 2HG2 THR 32 3.304 13.980 6.516 271 H GLY 33 H GLY 33 -0.156 10.395 7.991 272 HA2 GLY 33 2HA GLY 33 -2.387 9.733 8.390 273 HA3 GLY 33 3HA GLY 33 -2.747 11.353 8.961 274 H LYS 34 H LYS 34 -1.050 11.361 6.010 275 HA LYS 34 HA LYS 34 -3.433 12.201 4.570 276 HB2 LYS 34 2HB LYS 34 -1.925 12.888 2.803 277 HB3 LYS 34 3HB LYS 34 -1.305 13.455 4.347 278 HG2 LYS 34 2HG LYS 34 0.330 11.639 4.376 279 HG3 LYS 34 3HG LYS 34 -0.312 11.024 2.851 280 HD2 LYS 34 2HD LYS 34 0.272 13.228 1.809 281 HD3 LYS 34 3HD LYS 34 1.072 13.673 3.317 282 HE2 LYS 34 2HE LYS 34 1.779 11.291 1.596 283 HE3 LYS 34 3HE LYS 34 2.649 12.821 1.617 284 HZ1 LYS 34 3HZ LYS 34 3.784 11.237 2.981 285 HZ2 LYS 34 1HZ LYS 34 2.388 10.903 3.868 286 HZ3 LYS 34 2HZ LYS 34 3.117 12.421 3.989 287 H VAL 35 H VAL 35 -4.367 11.162 2.817 288 HA VAL 35 HA VAL 35 -3.604 8.358 2.405 289 HB VAL 35 HB VAL 35 -6.029 9.859 1.373 290 HG11 VAL 35 1HG1 VAL 35 -6.925 7.626 0.850 291 HG12 VAL 35 2HG1 VAL 35 -5.390 6.903 1.332 292 HG13 VAL 35 3HG1 VAL 35 -5.459 7.976 -0.066 293 HG21 VAL 35 3HG2 VAL 35 -7.280 8.631 3.090 294 HG22 VAL 35 1HG2 VAL 35 -6.047 9.665 3.810 295 HG23 VAL 35 2HG2 VAL 35 -5.779 7.926 3.686 296 H GLU 36 H GLU 36 -1.991 8.146 0.959 297 HA GLU 36 HA GLU 36 -2.026 9.812 -1.475 298 HB2 GLU 36 2HB GLU 36 -0.040 10.032 0.020 299 HB3 GLU 36 3HB GLU 36 0.317 8.332 -0.254 300 HG2 GLU 36 2HG GLU 36 1.728 9.633 -1.667 301 HG3 GLU 36 3HG GLU 36 0.538 8.824 -2.683 302 H ILE 37 H ILE 37 -2.052 8.873 -3.469 303 HA ILE 37 HA ILE 37 -2.607 6.006 -3.553 304 HB ILE 37 HB ILE 37 -2.807 8.071 -5.758 305 HG12 ILE 37 2HG1 ILE 37 -4.945 6.865 -3.972 306 HG13 ILE 37 3HG1 ILE 37 -4.388 8.534 -3.938 307 HG21 ILE 37 1HG2 ILE 37 -4.108 6.386 -6.960 308 HG22 ILE 37 2HG2 ILE 37 -3.866 5.240 -5.643 309 HG23 ILE 37 3HG2 ILE 37 -2.489 5.784 -6.603 310 HD11 ILE 37 3HD1 ILE 37 -6.507 8.378 -5.071 311 HD12 ILE 37 1HD1 ILE 37 -5.855 7.187 -6.193 312 HD13 ILE 37 2HD1 ILE 37 -5.252 8.842 -6.218 313 H ALA 38 H ALA 38 -1.224 4.515 -4.308 314 HA ALA 38 HA ALA 38 1.181 5.393 -5.789 315 HB1 ALA 38 3HB ALA 38 2.505 3.762 -4.551 316 HB2 ALA 38 1HB ALA 38 1.078 3.276 -3.635 317 HB3 ALA 38 2HB ALA 38 1.737 4.901 -3.446 318 H GLU 39 H GLU 39 2.174 3.725 -7.146 319 HA GLU 39 HA GLU 39 0.214 1.718 -8.058 320 HB2 GLU 39 2HB GLU 39 2.562 2.901 -9.565 321 HB3 GLU 39 3HB GLU 39 1.433 1.707 -10.200 322 HG2 GLU 39 2HG GLU 39 -0.401 3.396 -9.739 323 HG3 GLU 39 3HG GLU 39 0.884 4.572 -9.467 324 H ILE 40 H ILE 40 0.805 -0.433 -8.306 325 HA ILE 40 HA ILE 40 2.998 -1.205 -6.527 326 HB ILE 40 HB ILE 40 0.777 -2.903 -7.671 327 HG12 ILE 40 2HG1 ILE 40 1.046 -1.632 -4.930 328 HG13 ILE 40 3HG1 ILE 40 -0.059 -1.105 -6.195 329 HG21 ILE 40 1HG2 ILE 40 2.771 -3.471 -5.478 330 HG22 ILE 40 2HG2 ILE 40 2.700 -4.247 -7.060 331 HG23 ILE 40 3HG2 ILE 40 1.401 -4.499 -5.896 332 HD11 ILE 40 3HD1 ILE 40 -0.127 -3.757 -4.769 333 HD12 ILE 40 1HD1 ILE 40 -1.226 -3.254 -6.055 334 HD13 ILE 40 2HD1 ILE 40 -1.217 -2.396 -4.514 335 H ARG 41 H ARG 41 4.884 -1.707 -7.365 336 HA ARG 41 HA ARG 41 5.226 -2.616 -10.087 337 HB2 ARG 41 2HB ARG 41 7.152 -2.127 -7.805 338 HB3 ARG 41 3HB ARG 41 7.666 -2.683 -9.394 339 HG2 ARG 41 2HG ARG 41 7.192 -0.661 -10.407 340 HG3 ARG 41 3HG ARG 41 6.019 -0.197 -9.174 341 HD2 ARG 41 2HD ARG 41 8.274 1.026 -9.198 342 HD3 ARG 41 3HD ARG 41 7.680 0.424 -7.652 343 HE ARG 41 HE ARG 41 9.223 -1.532 -8.081 344 HH11 ARG 41 1HH1 ARG 41 9.869 1.570 -9.431 345 HH12 ARG 41 2HH1 ARG 41 11.581 1.354 -9.385 346 HH21 ARG 41 1HH2 ARG 41 11.420 -1.777 -7.973 347 HH22 ARG 41 2HH2 ARG 41 12.451 -0.510 -8.544 348 H ASN 42 H ASN 42 6.001 -3.979 -6.870 349 HA ASN 42 HA ASN 42 5.856 -6.687 -8.056 350 HB2 ASN 42 2HB ASN 42 7.548 -5.674 -5.760 351 HB3 ASN 42 3HB ASN 42 7.314 -7.384 -6.098 352 HD21 ASN 42 1HD2 ASN 42 9.727 -5.666 -6.172 353 HD22 ASN 42 2HD2 ASN 42 10.382 -5.899 -7.751 354 H VAL 43 H VAL 43 4.208 -7.903 -7.396 355 HA VAL 43 HA VAL 43 2.546 -7.038 -5.166 356 HB VAL 43 HB VAL 43 0.972 -8.765 -5.931 357 HG11 VAL 43 1HG1 VAL 43 2.040 -7.061 -8.191 358 HG12 VAL 43 2HG1 VAL 43 0.886 -6.548 -6.959 359 HG13 VAL 43 3HG1 VAL 43 0.438 -7.796 -8.119 360 HG21 VAL 43 3HG2 VAL 43 3.097 -9.431 -7.984 361 HG22 VAL 43 1HG2 VAL 43 1.445 -10.055 -7.987 362 HG23 VAL 43 2HG2 VAL 43 2.544 -10.471 -6.671 363 H VAL 44 H VAL 44 5.246 -8.335 -4.733 364 HA VAL 44 HA VAL 44 4.376 -10.640 -3.104 365 HB VAL 44 HB VAL 44 5.645 -11.423 -5.038 366 HG11 VAL 44 1HG1 VAL 44 7.883 -9.658 -4.032 367 HG12 VAL 44 2HG1 VAL 44 6.961 -9.437 -5.520 368 HG13 VAL 44 3HG1 VAL 44 8.016 -10.837 -5.337 369 HG21 VAL 44 3HG2 VAL 44 7.226 -11.643 -2.468 370 HG22 VAL 44 1HG2 VAL 44 7.371 -12.717 -3.861 371 HG23 VAL 44 2HG2 VAL 44 5.865 -12.659 -2.945 372 H GLU 45 H GLU 45 5.104 -10.780 -1.040 373 HA GLU 45 HA GLU 45 6.424 -8.466 0.098 374 HB2 GLU 45 2HB GLU 45 5.964 -9.608 2.274 375 HB3 GLU 45 3HB GLU 45 4.534 -9.301 1.299 376 HG2 GLU 45 2HG GLU 45 4.533 -11.644 0.571 377 HG3 GLU 45 3HG GLU 45 5.962 -11.948 1.559 378 H ASN 46 H ASN 46 7.880 -9.438 2.229 379 HA ASN 46 HA ASN 46 10.271 -10.211 0.742 380 HB2 ASN 46 2HB ASN 46 11.491 -9.502 2.820 381 HB3 ASN 46 3HB ASN 46 10.534 -8.236 2.063 382 HD21 ASN 46 1HD2 ASN 46 8.615 -7.551 3.086 383 HD22 ASN 46 2HD2 ASN 46 8.326 -7.867 4.758 384 H THR 47 H THR 47 9.216 -12.452 0.610 385 HA THR 47 HA THR 47 9.582 -14.131 2.952 386 HB THR 47 HB THR 47 8.927 -16.006 1.505 387 HG1 THR 47 HG1 THR 47 9.803 -14.438 -0.466 388 HG21 THR 47 3HG2 THR 47 7.139 -14.662 2.480 389 HG22 THR 47 1HG2 THR 47 6.673 -15.243 0.882 390 HG23 THR 47 2HG2 THR 47 7.184 -13.570 1.096 391 H ALA 48 H ALA 48 11.598 -14.672 3.577 392 HA ALA 48 HA ALA 48 13.901 -14.465 1.974 393 HB1 ALA 48 3HB ALA 48 15.085 -15.531 3.810 394 HB2 ALA 48 1HB ALA 48 13.557 -16.064 4.511 395 HB3 ALA 48 2HB ALA 48 13.935 -14.344 4.427 396 H ASN 49 H ASN 49 12.320 -17.453 3.170 397 HA ASN 49 HA ASN 49 13.324 -18.846 0.764 398 HB2 ASN 49 2HB ASN 49 12.566 -19.966 3.477 399 HB3 ASN 49 3HB ASN 49 12.921 -20.964 2.068 400 HD21 ASN 49 1HD2 ASN 49 15.036 -21.030 1.280 401 HD22 ASN 49 2HD2 ASN 49 16.383 -20.533 2.242 402 HA PRO 50 HA PRO 50 8.833 -18.404 0.034 403 HB2 PRO 50 2HB PRO 50 8.942 -18.313 -2.656 404 HB3 PRO 50 3HB PRO 50 9.397 -16.929 -1.653 405 HG2 PRO 50 2HG PRO 50 11.158 -18.963 -2.979 406 HG3 PRO 50 3HG PRO 50 11.345 -17.201 -2.910 407 HD2 PRO 50 2HD PRO 50 12.691 -18.919 -1.264 408 HD3 PRO 50 3HD PRO 50 12.268 -17.258 -0.799 409 H HIS 51 H HIS 51 7.188 -19.773 -0.789 410 HA HIS 51 HA HIS 51 7.953 -22.554 -1.182 411 HB2 HIS 51 2HB HIS 51 5.246 -21.210 -0.994 412 HB3 HIS 51 3HB HIS 51 5.468 -22.943 -1.217 413 HD1 HIS 51 HD1 HIS 51 5.678 -24.297 0.857 414 HD2 HIS 51 HD2 HIS 51 6.380 -20.264 1.554 415 HE1 HIS 51 HE1 HIS 51 5.937 -24.078 3.340 416 HE2 HIS 51 HE2 HIS 51 6.554 -21.675 3.713 417 H PHE 52 H PHE 52 7.246 -23.827 -3.006 418 HA PHE 52 HA PHE 52 7.808 -22.642 -5.487 419 HB2 PHE 52 2HB PHE 52 7.288 -24.782 -6.483 420 HB3 PHE 52 3HB PHE 52 8.144 -25.047 -4.974 421 HD1 PHE 52 HD1 PHE 52 6.643 -25.515 -2.880 422 HD2 PHE 52 HD2 PHE 52 5.333 -25.952 -6.912 423 HE1 PHE 52 HE1 PHE 52 4.860 -27.032 -2.133 424 HE2 PHE 52 HE2 PHE 52 3.546 -27.471 -6.166 425 HZ PHE 52 HZ PHE 52 3.308 -28.012 -3.775 426 H VAL 53 H VAL 53 4.850 -22.724 -3.770 427 HA VAL 53 HA VAL 53 3.247 -22.148 -6.157 428 HB VAL 53 HB VAL 53 2.367 -22.433 -3.269 429 HG11 VAL 53 1HG1 VAL 53 0.855 -21.017 -4.576 430 HG12 VAL 53 2HG1 VAL 53 0.096 -22.560 -4.182 431 HG13 VAL 53 3HG1 VAL 53 0.729 -22.276 -5.806 432 HG21 VAL 53 3HG2 VAL 53 3.240 -24.534 -4.193 433 HG22 VAL 53 1HG2 VAL 53 2.137 -24.390 -5.561 434 HG23 VAL 53 2HG2 VAL 53 1.499 -24.620 -3.934 435 H ARG 54 H ARG 54 2.867 -20.093 -6.771 436 HA ARG 54 HA ARG 54 2.285 -18.004 -4.914 437 HB2 ARG 54 2HB ARG 54 4.750 -18.065 -4.715 438 HB3 ARG 54 3HB ARG 54 4.893 -17.799 -6.446 439 HG2 ARG 54 2HG ARG 54 4.112 -15.587 -6.284 440 HG3 ARG 54 3HG ARG 54 3.482 -15.840 -4.655 441 HD2 ARG 54 2HD ARG 54 6.409 -15.906 -5.410 442 HD3 ARG 54 3HD ARG 54 5.585 -14.522 -4.688 443 HE ARG 54 HE ARG 54 5.189 -16.797 -3.073 444 HH11 ARG 54 1HH1 ARG 54 7.759 -14.693 -4.006 445 HH12 ARG 54 2HH1 ARG 54 8.549 -14.817 -2.473 446 HH21 ARG 54 1HH2 ARG 54 6.238 -16.976 -1.139 447 HH22 ARG 54 2HH2 ARG 54 7.704 -16.091 -0.876 448 H ARG 55 H ARG 55 1.140 -16.367 -5.879 449 HA ARG 55 HA ARG 55 0.936 -16.393 -8.826 450 HB2 ARG 55 2HB ARG 55 -1.504 -15.994 -8.591 451 HB3 ARG 55 3HB ARG 55 -0.999 -17.556 -7.959 452 HG2 ARG 55 2HG ARG 55 -1.059 -16.652 -5.681 453 HG3 ARG 55 3HG ARG 55 -1.573 -15.091 -6.318 454 HD2 ARG 55 2HD ARG 55 -3.630 -16.074 -7.158 455 HD3 ARG 55 3HD ARG 55 -3.104 -17.677 -6.640 456 HE ARG 55 HE ARG 55 -3.035 -16.311 -4.341 457 HH11 ARG 55 1HH1 ARG 55 -5.477 -16.545 -6.765 458 HH12 ARG 55 2HH1 ARG 55 -6.765 -16.318 -5.633 459 HH21 ARG 55 1HH2 ARG 55 -4.673 -16.040 -2.918 460 HH22 ARG 55 2HH2 ARG 55 -6.312 -16.029 -3.471 461 H ASN 56 H ASN 56 -0.638 -14.370 -9.411 462 HA ASN 56 HA ASN 56 0.922 -12.052 -8.574 463 HB2 ASN 56 2HB ASN 56 -1.228 -12.244 -10.699 464 HB3 ASN 56 3HB ASN 56 -0.097 -10.914 -10.470 465 HD21 ASN 56 1HD2 ASN 56 0.750 -11.094 -12.518 466 HD22 ASN 56 2HD2 ASN 56 1.757 -12.406 -13.004 467 H ILE 57 H ILE 57 -1.950 -13.477 -7.606 468 HA ILE 57 HA ILE 57 -3.517 -11.094 -7.211 469 HB ILE 57 HB ILE 57 -3.943 -13.917 -6.213 470 HG12 ILE 57 2HG1 ILE 57 -4.059 -13.715 -8.656 471 HG13 ILE 57 3HG1 ILE 57 -5.658 -14.026 -7.988 472 HG21 ILE 57 1HG2 ILE 57 -6.247 -13.225 -5.710 473 HG22 ILE 57 2HG2 ILE 57 -5.836 -11.562 -6.128 474 HG23 ILE 57 3HG2 ILE 57 -5.072 -12.337 -4.739 475 HD11 ILE 57 3HD1 ILE 57 -6.192 -11.642 -8.205 476 HD12 ILE 57 1HD1 ILE 57 -5.773 -12.380 -9.750 477 HD13 ILE 57 2HD1 ILE 57 -4.602 -11.362 -8.913 478 H ILE 58 H ILE 58 -3.132 -9.680 -5.668 479 HA ILE 58 HA ILE 58 -1.598 -10.169 -3.321 480 HB ILE 58 HB ILE 58 -3.458 -7.863 -3.961 481 HG12 ILE 58 2HG1 ILE 58 -0.461 -8.103 -4.362 482 HG13 ILE 58 3HG1 ILE 58 -1.658 -8.234 -5.645 483 HG21 ILE 58 1HG2 ILE 58 -1.226 -8.077 -1.936 484 HG22 ILE 58 2HG2 ILE 58 -2.952 -7.968 -1.586 485 HG23 ILE 58 3HG2 ILE 58 -2.115 -6.604 -2.327 486 HD11 ILE 58 3HD1 ILE 58 -1.142 -5.801 -3.951 487 HD12 ILE 58 1HD1 ILE 58 -2.352 -5.931 -5.228 488 HD13 ILE 58 2HD1 ILE 58 -0.637 -6.043 -5.622 489 H THR 59 H THR 59 -2.294 -10.217 -1.133 490 HA THR 59 HA THR 59 -5.155 -10.798 -0.695 491 HB THR 59 HB THR 59 -4.041 -12.954 -0.837 492 HG1 THR 59 HG1 THR 59 -5.396 -13.441 0.705 493 HG21 THR 59 3HG2 THR 59 -2.275 -13.611 0.713 494 HG22 THR 59 1HG2 THR 59 -2.264 -11.992 1.415 495 HG23 THR 59 2HG2 THR 59 -1.760 -12.231 -0.260 496 H ARG 60 H ARG 60 -5.720 -10.838 1.678 497 HA ARG 60 HA ARG 60 -5.022 -8.366 2.865 498 HB2 ARG 60 2HB ARG 60 -7.196 -9.429 3.235 499 HB3 ARG 60 3HB ARG 60 -6.423 -10.773 4.064 500 HG2 ARG 60 2HG ARG 60 -5.626 -9.169 5.802 501 HG3 ARG 60 3HG ARG 60 -6.560 -7.905 5.000 502 HD2 ARG 60 2HD ARG 60 -7.775 -8.853 6.906 503 HD3 ARG 60 3HD ARG 60 -8.617 -9.160 5.388 504 HE ARG 60 HE ARG 60 -7.611 -11.444 5.499 505 HH11 ARG 60 1HH1 ARG 60 -8.098 -9.615 8.383 506 HH12 ARG 60 2HH1 ARG 60 -8.125 -11.021 9.388 507 HH21 ARG 60 1HH2 ARG 60 -7.679 -13.229 6.802 508 HH22 ARG 60 2HH2 ARG 60 -7.901 -13.038 8.510 509 H GLY 61 H GLY 61 -3.393 -7.815 4.186 510 HA2 GLY 61 2HA GLY 61 -1.879 -8.085 5.969 511 HA3 GLY 61 3HA GLY 61 -2.102 -9.823 5.881 512 H ALA 62 H ALA 62 -1.584 -8.673 2.786 513 HA ALA 62 HA ALA 62 1.193 -9.586 2.834 514 HB1 ALA 62 3HB ALA 62 -0.308 -10.505 1.132 515 HB2 ALA 62 1HB ALA 62 1.022 -9.611 0.394 516 HB3 ALA 62 2HB ALA 62 -0.582 -8.886 0.491 517 H VAL 63 H VAL 63 2.918 -8.372 1.901 518 HA VAL 63 HA VAL 63 2.476 -5.448 1.877 519 HB VAL 63 HB VAL 63 5.047 -6.939 2.472 520 HG11 VAL 63 1HG1 VAL 63 5.450 -4.790 1.376 521 HG12 VAL 63 2HG1 VAL 63 5.942 -4.731 3.068 522 HG13 VAL 63 3HG1 VAL 63 4.428 -3.980 2.565 523 HG21 VAL 63 3HG2 VAL 63 3.424 -7.170 4.286 524 HG22 VAL 63 1HG2 VAL 63 3.195 -5.421 4.323 525 HG23 VAL 63 2HG2 VAL 63 4.752 -6.118 4.773 526 H VAL 64 H VAL 64 2.894 -4.360 0.032 527 HA VAL 64 HA VAL 64 4.163 -5.856 -2.182 528 HB VAL 64 HB VAL 64 2.783 -4.522 -3.732 529 HG11 VAL 64 1HG1 VAL 64 1.180 -5.974 -1.621 530 HG12 VAL 64 2HG1 VAL 64 2.000 -6.718 -2.993 531 HG13 VAL 64 3HG1 VAL 64 0.645 -5.623 -3.266 532 HG21 VAL 64 3HG2 VAL 64 2.464 -2.521 -2.373 533 HG22 VAL 64 1HG2 VAL 64 1.494 -3.436 -1.218 534 HG23 VAL 64 2HG2 VAL 64 0.902 -3.182 -2.861 535 H GLU 65 H GLU 65 5.429 -4.722 -3.711 536 HA GLU 65 HA GLU 65 6.849 -2.396 -2.663 537 HB2 GLU 65 2HB GLU 65 8.148 -4.247 -3.640 538 HB3 GLU 65 3HB GLU 65 7.315 -4.031 -5.172 539 HG2 GLU 65 2HG GLU 65 8.264 -1.693 -5.235 540 HG3 GLU 65 3HG GLU 65 9.259 -2.149 -3.852 541 H THR 66 H THR 66 5.897 -0.466 -3.028 542 HA THR 66 HA THR 66 4.689 0.057 -5.679 543 HB THR 66 HB THR 66 3.398 1.843 -4.661 544 HG1 THR 66 HG1 THR 66 4.260 1.178 -2.069 545 HG21 THR 66 3HG2 THR 66 2.432 -0.401 -4.528 546 HG22 THR 66 1HG2 THR 66 1.993 0.553 -3.109 547 HG23 THR 66 2HG2 THR 66 3.254 -0.675 -2.991 548 H ASN 67 H ASN 67 4.847 2.398 -6.373 549 HA ASN 67 HA ASN 67 7.533 3.164 -6.666 550 HB2 ASN 67 2HB ASN 67 6.624 5.264 -7.643 551 HB3 ASN 67 3HB ASN 67 5.874 3.815 -8.301 552 HD21 ASN 67 1HD2 ASN 67 4.873 6.536 -8.235 553 HD22 ASN 67 2HD2 ASN 67 3.370 6.476 -7.389 554 H LEU 68 H LEU 68 5.342 3.822 -4.083 555 HA LEU 68 HA LEU 68 6.954 6.034 -3.052 556 HB2 LEU 68 2HB LEU 68 4.479 4.723 -1.915 557 HB3 LEU 68 3HB LEU 68 5.269 6.141 -1.253 558 HG LEU 68 HG LEU 68 3.888 5.961 -3.937 559 HD11 LEU 68 1HD1 LEU 68 2.287 7.521 -2.951 560 HD12 LEU 68 2HD1 LEU 68 3.148 7.443 -1.414 561 HD13 LEU 68 3HD1 LEU 68 2.346 6.006 -2.050 562 HD21 LEU 68 3HD2 LEU 68 5.250 8.318 -2.623 563 HD22 LEU 68 1HD2 LEU 68 4.311 8.367 -4.116 564 HD23 LEU 68 2HD2 LEU 68 5.819 7.456 -4.054 565 H GLY 69 H GLY 69 6.436 2.611 -2.473 566 HA2 GLY 69 2HA GLY 69 8.658 1.905 -1.172 567 HA3 GLY 69 3HA GLY 69 7.780 2.702 0.126 568 H ASN 70 H ASN 70 7.559 0.821 1.372 569 HA ASN 70 HA ASN 70 6.259 -1.511 0.172 570 HB2 ASN 70 2HB ASN 70 7.336 -1.105 2.973 571 HB3 ASN 70 3HB ASN 70 6.735 -2.622 2.316 572 HD21 ASN 70 1HD2 ASN 70 7.956 -2.140 -0.312 573 HD22 ASN 70 2HD2 ASN 70 9.646 -2.412 -0.093 574 H VAL 71 H VAL 71 4.105 -1.716 0.229 575 HA VAL 71 HA VAL 71 2.615 -0.205 2.281 576 HB VAL 71 HB VAL 71 1.650 -1.156 -0.426 577 HG11 VAL 71 1HG1 VAL 71 0.278 0.519 1.683 578 HG12 VAL 71 2HG1 VAL 71 -0.173 -1.107 1.168 579 HG13 VAL 71 3HG1 VAL 71 -0.328 0.245 0.050 580 HG21 VAL 71 3HG2 VAL 71 3.261 0.667 -0.624 581 HG22 VAL 71 1HG2 VAL 71 2.351 1.623 0.549 582 HG23 VAL 71 2HG2 VAL 71 1.638 1.233 -1.018 583 H ARG 72 H ARG 72 1.575 -1.304 3.796 584 HA ARG 72 HA ARG 72 1.273 -4.205 3.552 585 HB2 ARG 72 2HB ARG 72 2.242 -3.141 5.615 586 HB3 ARG 72 3HB ARG 72 0.665 -2.428 5.930 587 HG2 ARG 72 2HG ARG 72 -0.323 -4.628 6.175 588 HG3 ARG 72 3HG ARG 72 1.212 -5.392 5.753 589 HD2 ARG 72 2HD ARG 72 0.737 -3.633 8.163 590 HD3 ARG 72 3HD ARG 72 0.792 -5.394 8.186 591 HE ARG 72 HE ARG 72 3.150 -4.061 7.146 592 HH11 ARG 72 1HH1 ARG 72 1.630 -5.529 9.864 593 HH12 ARG 72 2HH1 ARG 72 3.127 -5.772 10.697 594 HH21 ARG 72 1HH2 ARG 72 5.074 -4.398 8.242 595 HH22 ARG 72 2HH2 ARG 72 5.025 -5.145 9.802 596 H VAL 73 H VAL 73 -0.564 -5.020 2.771 597 HA VAL 73 HA VAL 73 -2.850 -3.383 2.254 598 HB VAL 73 HB VAL 73 -2.524 -6.378 1.934 599 HG11 VAL 73 1HG1 VAL 73 -4.589 -4.507 0.759 600 HG12 VAL 73 2HG1 VAL 73 -4.881 -5.732 1.993 601 HG13 VAL 73 3HG1 VAL 73 -4.408 -6.216 0.364 602 HG21 VAL 73 3HG2 VAL 73 -0.881 -5.104 0.636 603 HG22 VAL 73 1HG2 VAL 73 -2.178 -4.141 -0.076 604 HG23 VAL 73 2HG2 VAL 73 -2.069 -5.868 -0.420 605 H THR 74 H THR 74 -4.521 -2.976 3.538 606 HA THR 74 HA THR 74 -4.961 -4.640 5.935 607 HB THR 74 HB THR 74 -6.229 -2.723 6.831 608 HG1 THR 74 HG1 THR 74 -6.622 -0.959 5.634 609 HG21 THR 74 3HG2 THR 74 -3.485 -1.975 5.792 610 HG22 THR 74 1HG2 THR 74 -3.830 -2.838 7.292 611 HG23 THR 74 2HG2 THR 74 -4.341 -1.160 7.102 612 H SER 75 H SER 75 -6.701 -3.128 3.232 613 HA SER 75 HA SER 75 -9.197 -4.439 4.045 614 HB2 SER 75 2HB SER 75 -9.267 -2.052 3.401 615 HB3 SER 75 3HB SER 75 -8.695 -2.473 1.788 616 HG SER 75 HG SER 75 -10.987 -2.254 1.889 617 H ARG 76 H ARG 76 -10.554 -4.998 1.861 618 HA ARG 76 HA ARG 76 -9.181 -7.300 0.755 619 HB2 ARG 76 2HB ARG 76 -12.017 -6.307 0.661 620 HB3 ARG 76 3HB ARG 76 -11.484 -7.580 -0.426 621 HG2 ARG 76 2HG ARG 76 -10.838 -8.951 1.503 622 HG3 ARG 76 3HG ARG 76 -11.405 -7.679 2.587 623 HD2 ARG 76 2HD ARG 76 -13.657 -7.990 1.939 624 HD3 ARG 76 3HD ARG 76 -13.200 -8.931 0.518 625 HE ARG 76 HE ARG 76 -12.269 -10.363 2.665 626 HH11 ARG 76 1HH1 ARG 76 -15.367 -9.165 1.721 627 HH12 ARG 76 2HH1 ARG 76 -16.203 -10.529 2.377 628 HH21 ARG 76 1HH2 ARG 76 -13.373 -12.114 3.476 629 HH22 ARG 76 2HH2 ARG 76 -15.096 -12.166 3.355 630 HA PRO 77 HA PRO 77 -8.024 -5.188 -3.079 631 HB2 PRO 77 2HB PRO 77 -7.432 -7.528 -4.442 632 HB3 PRO 77 3HB PRO 77 -6.299 -6.652 -3.409 633 HG2 PRO 77 2HG PRO 77 -7.962 -9.062 -2.783 634 HG3 PRO 77 3HG PRO 77 -6.291 -8.699 -2.312 635 HD2 PRO 77 2HD PRO 77 -8.345 -8.420 -0.595 636 HD3 PRO 77 3HD PRO 77 -6.950 -7.321 -0.568 637 H GLY 78 H GLY 78 -9.473 -4.506 -4.553 638 HA2 GLY 78 2HA GLY 78 -11.054 -4.730 -6.277 639 HA3 GLY 78 3HA GLY 78 -11.350 -6.385 -5.775 640 H GLN 79 H GLN 79 -11.497 -4.704 -2.963 641 HA GLN 79 HA GLN 79 -14.199 -5.046 -2.489 642 HB2 GLN 79 2HB GLN 79 -12.353 -4.507 -0.819 643 HB3 GLN 79 3HB GLN 79 -12.544 -2.821 -1.265 644 HG2 GLN 79 2HG GLN 79 -14.825 -4.475 -0.207 645 HG3 GLN 79 3HG GLN 79 -13.710 -3.617 0.850 646 HE21 GLN 79 1HE2 GLN 79 -16.583 -3.271 0.470 647 HE22 GLN 79 2HE2 GLN 79 -16.808 -1.621 0.018 648 H ASP 80 H ASP 80 -12.752 -1.810 -3.023 649 HA ASP 80 HA ASP 80 -15.250 -0.934 -4.315 650 HB2 ASP 80 2HB ASP 80 -14.319 0.421 -2.422 651 HB3 ASP 80 3HB ASP 80 -12.877 0.722 -3.383 652 H GLY 81 H GLY 81 -13.238 -2.707 -5.554 653 HA2 GLY 81 2HA GLY 81 -12.426 -2.932 -7.733 654 HA3 GLY 81 3HA GLY 81 -12.673 -1.212 -7.988 655 H VAL 82 H VAL 82 -11.198 -0.529 -5.519 656 HA VAL 82 HA VAL 82 -8.450 -0.947 -6.514 657 HB VAL 82 HB VAL 82 -9.347 1.405 -6.480 658 HG11 VAL 82 1HG1 VAL 82 -9.253 1.041 -3.482 659 HG12 VAL 82 2HG1 VAL 82 -10.697 1.289 -4.467 660 HG13 VAL 82 3HG1 VAL 82 -9.497 2.574 -4.322 661 HG21 VAL 82 3HG2 VAL 82 -7.333 2.420 -5.523 662 HG22 VAL 82 1HG2 VAL 82 -6.939 0.984 -6.469 663 HG23 VAL 82 2HG2 VAL 82 -6.948 0.904 -4.709 664 H ILE 83 H ILE 83 -6.737 -0.912 -4.782 665 HA ILE 83 HA ILE 83 -7.578 -2.503 -2.451 666 HB ILE 83 HB ILE 83 -4.764 -2.064 -3.485 667 HG12 ILE 83 2HG1 ILE 83 -6.642 -4.385 -4.041 668 HG13 ILE 83 3HG1 ILE 83 -6.181 -3.150 -5.207 669 HG21 ILE 83 1HG2 ILE 83 -4.886 -2.778 -1.152 670 HG22 ILE 83 2HG2 ILE 83 -4.231 -4.065 -2.163 671 HG23 ILE 83 3HG2 ILE 83 -5.904 -4.142 -1.609 672 HD11 ILE 83 3HD1 ILE 83 -4.341 -5.155 -3.920 673 HD12 ILE 83 1HD1 ILE 83 -3.854 -3.901 -5.061 674 HD13 ILE 83 2HD1 ILE 83 -4.942 -5.187 -5.577 675 H ASN 84 H ASN 84 -6.924 -1.944 -0.333 676 HA ASN 84 HA ASN 84 -5.833 0.788 0.018 677 HB2 ASN 84 2HB ASN 84 -7.846 -0.672 1.754 678 HB3 ASN 84 3HB ASN 84 -7.124 0.883 2.152 679 HD21 ASN 84 1HD2 ASN 84 -7.187 1.875 -0.578 680 HD22 ASN 84 2HD2 ASN 84 -8.842 2.235 -0.915 681 H GLY 85 H GLY 85 -4.090 1.056 1.341 682 HA2 GLY 85 2HA GLY 85 -3.352 -1.000 3.277 683 HA3 GLY 85 3HA GLY 85 -2.255 -0.830 1.918 684 H VAL 86 H VAL 86 -1.022 -0.444 4.175 685 HA VAL 86 HA VAL 86 -1.018 2.460 4.751 686 HB VAL 86 HB VAL 86 0.259 0.343 6.486 687 HG11 VAL 86 1HG1 VAL 86 1.023 2.620 6.874 688 HG12 VAL 86 2HG1 VAL 86 0.053 2.059 8.236 689 HG13 VAL 86 3HG1 VAL 86 -0.644 3.171 7.056 690 HG21 VAL 86 3HG2 VAL 86 -2.108 -0.211 6.277 691 HG22 VAL 86 1HG2 VAL 86 -2.546 1.438 6.728 692 HG23 VAL 86 2HG2 VAL 86 -1.742 0.387 7.894 693 H LEU 87 H LEU 87 0.876 3.648 4.652 694 HA LEU 87 HA LEU 87 2.980 2.574 2.974 695 HB2 LEU 87 2HB LEU 87 2.084 4.826 2.592 696 HB3 LEU 87 3HB LEU 87 2.617 5.322 4.186 697 HG LEU 87 HG LEU 87 4.973 4.968 3.490 698 HD11 LEU 87 1HD1 LEU 87 4.592 3.270 1.769 699 HD12 LEU 87 2HD1 LEU 87 5.516 4.631 1.139 700 HD13 LEU 87 3HD1 LEU 87 3.804 4.474 0.751 701 HD21 LEU 87 3HD2 LEU 87 5.130 6.927 2.034 702 HD22 LEU 87 1HD2 LEU 87 3.973 7.188 3.340 703 HD23 LEU 87 2HD2 LEU 87 3.397 6.830 1.710 704 H ILE 88 H ILE 88 4.582 1.417 3.868 705 HA ILE 88 HA ILE 88 6.042 2.511 6.168 706 HB ILE 88 HB ILE 88 6.195 0.275 7.225 707 HG12 ILE 88 2HG1 ILE 88 4.183 -0.486 5.095 708 HG13 ILE 88 3HG1 ILE 88 5.785 -1.168 5.334 709 HG21 ILE 88 1HG2 ILE 88 3.959 0.229 8.212 710 HG22 ILE 88 2HG2 ILE 88 3.359 1.267 6.920 711 HG23 ILE 88 3HG2 ILE 88 4.558 1.879 8.060 712 HD11 ILE 88 3HD1 ILE 88 5.049 -2.120 7.466 713 HD12 ILE 88 1HD1 ILE 88 4.082 -2.693 6.107 714 HD13 ILE 88 2HD1 ILE 88 3.436 -1.462 7.192 715 H ARG 89 H ARG 89 7.903 0.595 6.577 716 HA ARG 89 HA ARG 89 9.028 -0.195 3.982 717 HB2 ARG 89 2HB ARG 89 10.506 1.374 6.113 718 HB3 ARG 89 3HB ARG 89 11.323 0.513 4.815 719 HG2 ARG 89 2HG ARG 89 9.309 2.723 4.419 720 HG3 ARG 89 3HG ARG 89 11.061 2.928 4.378 721 HD2 ARG 89 2HD ARG 89 9.486 1.120 2.535 722 HD3 ARG 89 3HD ARG 89 10.042 2.739 2.121 723 HE ARG 89 HE ARG 89 12.325 1.518 2.829 724 HH11 ARG 89 1HH1 ARG 89 9.803 0.542 0.704 725 HH12 ARG 89 2HH1 ARG 89 10.862 -0.334 -0.337 726 HH21 ARG 89 1HH2 ARG 89 13.685 0.413 1.475 727 HH22 ARG 89 2HH2 ARG 89 13.035 -0.413 0.104 728 H GLU 90 H GLU 90 8.792 -2.353 4.254 729 HA GLU 90 HA GLU 90 9.345 -3.705 6.741 730 HB2 GLU 90 2HB GLU 90 8.793 -4.797 3.969 731 HB3 GLU 90 3HB GLU 90 8.841 -5.756 5.442 732 HG2 GLU 90 2HG GLU 90 6.914 -3.483 4.997 733 HG3 GLU 90 3HG GLU 90 6.557 -5.161 4.599 734 H LEU 91 H LEU 91 11.005 -3.176 3.698 735 HA LEU 91 HA LEU 91 13.455 -4.317 4.844 736 HB2 LEU 91 2HB LEU 91 14.036 -5.402 2.727 737 HB3 LEU 91 3HB LEU 91 12.570 -6.074 3.409 738 HG LEU 91 HG LEU 91 12.504 -3.994 1.217 739 HD11 LEU 91 1HD1 LEU 91 12.537 -6.996 0.890 740 HD12 LEU 91 2HD1 LEU 91 13.799 -5.876 0.379 741 HD13 LEU 91 3HD1 LEU 91 12.213 -5.823 -0.387 742 HD21 LEU 91 3HD2 LEU 91 10.416 -4.299 2.434 743 HD22 LEU 91 1HD2 LEU 91 10.485 -6.040 2.160 744 HD23 LEU 91 2HD2 LEU 91 10.270 -4.938 0.799 745 H GLU 92 H GLU 92 15.371 -3.334 4.151 746 HA GLU 92 HA GLU 92 15.117 -0.654 3.145 747 HB2 GLU 92 2HB GLU 92 16.763 -1.285 4.909 748 HB3 GLU 92 3HB GLU 92 17.625 -2.259 3.725 749 HG2 GLU 92 2HG GLU 92 17.923 -0.140 2.376 750 HG3 GLU 92 3HG GLU 92 17.310 0.734 3.777 751 H HIS 93 H HIS 93 16.469 0.159 1.338 752 HA HIS 93 HA HIS 93 16.116 -0.935 -1.134 753 HB2 HIS 93 2HB HIS 93 16.921 1.290 -0.998 754 HB3 HIS 93 3HB HIS 93 18.329 0.814 -0.057 755 HD1 HIS 93 HD1 HIS 93 20.415 0.225 -1.310 756 HD2 HIS 93 HD2 HIS 93 17.122 0.658 -3.811 757 HE1 HIS 93 HE1 HIS 93 21.328 0.146 -3.645 758 HE2 HIS 93 HE2 HIS 93 19.312 0.281 -5.141 759 H HIS 94 H HIS 94 18.672 -1.747 1.156 760 HA HIS 94 HA HIS 94 19.396 -4.038 -0.563 761 HB2 HIS 94 2HB HIS 94 21.259 -2.466 -0.551 762 HB3 HIS 94 3HB HIS 94 21.235 -2.404 1.209 763 HD1 HIS 94 HD1 HIS 94 21.904 -4.896 -1.578 764 HD2 HIS 94 HD2 HIS 94 22.843 -4.249 2.419 765 HE1 HIS 94 HE1 HIS 94 23.609 -6.639 -1.000 766 HE2 HIS 94 HE2 HIS 94 24.296 -6.100 1.355 767 H HIS 95 H HIS 95 18.391 -5.738 0.392 768 HA HIS 95 HA HIS 95 18.016 -5.870 3.248 769 HB2 HIS 95 2HB HIS 95 16.846 -7.962 2.830 770 HB3 HIS 95 3HB HIS 95 16.304 -6.730 1.703 771 HD1 HIS 95 HD1 HIS 95 17.307 -10.154 1.814 772 HD2 HIS 95 HD2 HIS 95 17.696 -7.072 -0.942 773 HE1 HIS 95 HE1 HIS 95 17.787 -11.267 -0.376 774 HE2 HIS 95 HE2 HIS 95 17.793 -9.400 -2.051 775 H HIS 96 H HIS 96 18.378 -8.400 4.034 776 HA HIS 96 HA HIS 96 20.962 -8.497 4.937 777 HB2 HIS 96 2HB HIS 96 19.075 -9.786 5.870 778 HB3 HIS 96 3HB HIS 96 19.127 -10.862 4.480 779 HD1 HIS 96 HD1 HIS 96 21.090 -9.939 7.560 780 HD2 HIS 96 HD2 HIS 96 21.001 -12.899 4.645 781 HE1 HIS 96 HE1 HIS 96 22.660 -11.720 8.364 782 HE2 HIS 96 HE2 HIS 96 22.736 -13.398 6.497 783 H HIS 97 H HIS 97 22.900 -9.063 4.155 784 HA HIS 97 HA HIS 97 23.045 -10.617 1.639 785 HB2 HIS 97 2HB HIS 97 23.683 -8.327 1.194 786 HB3 HIS 97 3HB HIS 97 24.799 -8.325 2.554 787 HD1 HIS 97 HD1 HIS 97 27.096 -9.448 2.218 788 HD2 HIS 97 HD2 HIS 97 24.630 -9.644 -1.126 789 HE1 HIS 97 HE1 HIS 97 28.565 -10.224 0.341 790 HE2 HIS 97 HE2 HIS 97 27.028 -10.468 -1.631 791 H HIS 98 H HIS 98 24.405 -10.148 4.848 792 HA HIS 98 HA HIS 98 26.767 -11.676 4.484 793 HB2 HIS 98 2HB HIS 98 25.236 -10.964 6.993 794 HB3 HIS 98 3HB HIS 98 26.798 -11.775 7.001 795 HD1 HIS 98 HD1 HIS 98 28.857 -10.372 6.213 796 HD2 HIS 98 HD2 HIS 98 25.322 -8.220 6.563 797 HE1 HIS 98 HE1 HIS 98 29.538 -7.958 6.172 798 HE2 HIS 98 HE2 HIS 98 27.403 -6.683 6.547 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -23.754 47.198 -33.858 2 H2 GLY 1 2H GLY 1 -24.997 46.184 -33.315 3 H3 GLY 1 3H GLY 1 -24.103 45.759 -34.686 4 HA2 GLY 1 2HA GLY 1 -22.091 45.579 -33.302 5 HA3 GLY 1 3HA GLY 1 -23.091 45.918 -31.896 6 H ASP 2 H ASP 2 -22.677 43.636 -34.590 7 HA ASP 2 HA ASP 2 -24.272 41.635 -33.182 8 HB2 ASP 2 2HB ASP 2 -24.560 42.048 -35.637 9 HB3 ASP 2 3HB ASP 2 -22.934 41.421 -35.890 10 H ARG 3 H ARG 3 -23.209 40.597 -31.621 11 HA ARG 3 HA ARG 3 -20.871 39.013 -32.383 12 HB2 ARG 3 2HB ARG 3 -19.865 39.457 -30.081 13 HB3 ARG 3 3HB ARG 3 -19.742 40.763 -31.249 14 HG2 ARG 3 2HG ARG 3 -22.063 40.772 -29.377 15 HG3 ARG 3 3HG ARG 3 -20.472 41.192 -28.742 16 HD2 ARG 3 2HD ARG 3 -21.705 42.503 -31.167 17 HD3 ARG 3 3HD ARG 3 -21.855 43.137 -29.529 18 HE ARG 3 HE ARG 3 -19.402 43.340 -29.514 19 HH11 ARG 3 1HH1 ARG 3 -20.962 43.061 -32.575 20 HH12 ARG 3 2HH1 ARG 3 -19.726 43.933 -33.413 21 HH21 ARG 3 1HH2 ARG 3 -17.818 44.451 -30.598 22 HH22 ARG 3 2HH2 ARG 3 -17.956 44.693 -32.305 23 H ARG 4 H ARG 4 -22.381 37.306 -32.494 24 HA ARG 4 HA ARG 4 -24.132 36.762 -30.264 25 HB2 ARG 4 2HB ARG 4 -23.651 35.237 -32.830 26 HB3 ARG 4 3HB ARG 4 -24.927 34.886 -31.667 27 HG2 ARG 4 2HG ARG 4 -25.993 36.992 -32.097 28 HG3 ARG 4 3HG ARG 4 -24.633 37.532 -33.084 29 HD2 ARG 4 2HD ARG 4 -26.486 35.234 -33.722 30 HD3 ARG 4 3HD ARG 4 -26.527 36.830 -34.470 31 HE ARG 4 HE ARG 4 -24.275 34.943 -34.736 32 HH11 ARG 4 1HH1 ARG 4 -26.312 37.394 -36.041 33 HH12 ARG 4 2HH1 ARG 4 -25.527 37.372 -37.574 34 HH21 ARG 4 1HH2 ARG 4 -23.279 34.926 -36.700 35 HH22 ARG 4 2HH2 ARG 4 -23.837 35.979 -37.954 36 H VAL 5 H VAL 5 -23.053 36.087 -28.489 37 HA VAL 5 HA VAL 5 -20.967 34.105 -28.585 38 HB VAL 5 HB VAL 5 -20.918 35.868 -26.877 39 HG11 VAL 5 1HG1 VAL 5 -23.383 34.542 -25.735 40 HG12 VAL 5 2HG1 VAL 5 -23.322 36.126 -26.504 41 HG13 VAL 5 3HG1 VAL 5 -22.473 35.854 -24.983 42 HG21 VAL 5 3HG2 VAL 5 -21.242 33.108 -25.686 43 HG22 VAL 5 1HG2 VAL 5 -20.397 34.464 -24.934 44 HG23 VAL 5 2HG2 VAL 5 -19.774 33.751 -26.423 45 H ARG 6 H ARG 6 -21.096 31.957 -28.194 46 HA ARG 6 HA ARG 6 -23.686 30.818 -27.331 47 HB2 ARG 6 2HB ARG 6 -21.733 29.620 -29.325 48 HB3 ARG 6 3HB ARG 6 -23.218 28.858 -28.765 49 HG2 ARG 6 2HG ARG 6 -24.544 30.632 -29.786 50 HG3 ARG 6 3HG ARG 6 -23.070 31.456 -30.295 51 HD2 ARG 6 2HD ARG 6 -23.984 30.268 -32.175 52 HD3 ARG 6 3HD ARG 6 -22.492 29.474 -31.676 53 HE ARG 6 HE ARG 6 -24.370 28.056 -30.370 54 HH11 ARG 6 1HH1 ARG 6 -24.028 29.006 -33.659 55 HH12 ARG 6 2HH1 ARG 6 -24.868 27.626 -34.268 56 HH21 ARG 6 1HH2 ARG 6 -25.442 26.274 -31.146 57 HH22 ARG 6 2HH2 ARG 6 -25.670 26.094 -32.849 58 H LEU 7 H LEU 7 -23.401 30.109 -25.292 59 HA LEU 7 HA LEU 7 -20.817 28.914 -24.554 60 HB2 LEU 7 2HB LEU 7 -20.928 31.257 -23.793 61 HB3 LEU 7 3HB LEU 7 -22.399 30.895 -22.910 62 HG LEU 7 HG LEU 7 -21.127 29.329 -21.465 63 HD11 LEU 7 1HD1 LEU 7 -18.680 29.345 -21.522 64 HD12 LEU 7 2HD1 LEU 7 -18.716 30.360 -22.966 65 HD13 LEU 7 3HD1 LEU 7 -19.358 28.717 -23.024 66 HD21 LEU 7 3HD2 LEU 7 -21.483 31.624 -20.740 67 HD22 LEU 7 1HD2 LEU 7 -20.024 32.141 -21.587 68 HD23 LEU 7 2HD2 LEU 7 -19.905 31.049 -20.208 69 H ILE 8 H ILE 8 -22.092 26.958 -24.970 70 HA ILE 8 HA ILE 8 -23.857 26.175 -22.763 71 HB ILE 8 HB ILE 8 -24.553 25.607 -25.049 72 HG12 ILE 8 2HG1 ILE 8 -24.984 24.058 -22.984 73 HG13 ILE 8 3HG1 ILE 8 -25.389 23.484 -24.594 74 HG21 ILE 8 1HG2 ILE 8 -23.351 23.912 -26.366 75 HG22 ILE 8 2HG2 ILE 8 -22.052 23.931 -25.174 76 HG23 ILE 8 3HG2 ILE 8 -22.403 25.378 -26.118 77 HD11 ILE 8 3HD1 ILE 8 -24.335 21.753 -23.268 78 HD12 ILE 8 1HD1 ILE 8 -22.913 22.770 -23.038 79 HD13 ILE 8 2HD1 ILE 8 -23.325 22.181 -24.649 80 H ARG 9 H ARG 9 -23.239 24.769 -21.144 81 HA ARG 9 HA ARG 9 -20.484 23.698 -21.285 82 HB2 ARG 9 2HB ARG 9 -20.377 23.824 -18.855 83 HB3 ARG 9 3HB ARG 9 -20.740 25.403 -19.537 84 HG2 ARG 9 2HG ARG 9 -23.032 25.247 -18.880 85 HG3 ARG 9 3HG ARG 9 -22.837 23.558 -18.409 86 HD2 ARG 9 2HD ARG 9 -22.866 25.038 -16.457 87 HD3 ARG 9 3HD ARG 9 -21.318 24.209 -16.620 88 HE ARG 9 HE ARG 9 -21.556 26.919 -17.696 89 HH11 ARG 9 1HH1 ARG 9 -20.308 24.798 -15.282 90 HH12 ARG 9 2HH1 ARG 9 -19.188 25.966 -14.676 91 HH21 ARG 9 1HH2 ARG 9 -20.109 28.405 -16.914 92 HH22 ARG 9 2HH2 ARG 9 -19.082 27.992 -15.589 93 H THR 10 H THR 10 -20.082 21.607 -20.611 94 HA THR 10 HA THR 10 -22.449 19.881 -20.177 95 HB THR 10 HB THR 10 -21.218 18.041 -21.246 96 HG1 THR 10 HG1 THR 10 -19.234 18.488 -22.298 97 HG21 THR 10 3HG2 THR 10 -21.276 18.855 -23.564 98 HG22 THR 10 1HG2 THR 10 -21.332 20.518 -22.981 99 HG23 THR 10 2HG2 THR 10 -22.674 19.424 -22.651 100 H ARG 11 H ARG 11 -21.967 17.845 -18.969 101 HA ARG 11 HA ARG 11 -19.584 17.897 -17.299 102 HB2 ARG 11 2HB ARG 11 -20.906 17.606 -15.196 103 HB3 ARG 11 3HB ARG 11 -21.041 19.196 -15.919 104 HG2 ARG 11 2HG ARG 11 -23.198 18.666 -15.175 105 HG3 ARG 11 3HG ARG 11 -23.242 18.412 -16.919 106 HD2 ARG 11 2HD ARG 11 -23.143 16.046 -16.660 107 HD3 ARG 11 3HD ARG 11 -22.758 16.183 -14.946 108 HE ARG 11 HE ARG 11 -25.121 17.289 -14.901 109 HH11 ARG 11 1HH1 ARG 11 -24.154 14.588 -16.815 110 HH12 ARG 11 2HH1 ARG 11 -25.715 13.849 -16.759 111 HH21 ARG 11 1HH2 ARG 11 -27.107 16.323 -14.815 112 HH22 ARG 11 2HH2 ARG 11 -27.373 14.819 -15.630 113 H GLY 12 H GLY 12 -19.155 15.887 -16.195 114 HA2 GLY 12 2HA GLY 12 -20.625 13.598 -17.378 115 HA3 GLY 12 3HA GLY 12 -18.874 13.637 -17.268 116 H GLY 13 H GLY 13 -19.770 11.475 -16.235 117 HA2 GLY 13 2HA GLY 13 -19.803 11.927 -13.301 118 HA3 GLY 13 3HA GLY 13 -20.715 10.637 -14.069 119 H ASN 14 H ASN 14 -18.398 10.745 -12.058 120 HA ASN 14 HA ASN 14 -16.133 9.601 -13.328 121 HB2 ASN 14 2HB ASN 14 -16.019 10.719 -11.135 122 HB3 ASN 14 3HB ASN 14 -16.981 9.424 -10.426 123 HD21 ASN 14 1HD2 ASN 14 -13.887 10.298 -11.748 124 HD22 ASN 14 2HD2 ASN 14 -13.026 8.929 -11.137 125 H THR 15 H THR 15 -16.837 7.903 -14.647 126 HA THR 15 HA THR 15 -17.638 5.442 -13.205 127 HB THR 15 HB THR 15 -18.266 6.178 -16.083 128 HG1 THR 15 HG1 THR 15 -19.932 5.927 -13.773 129 HG21 THR 15 3HG2 THR 15 -19.009 3.718 -14.485 130 HG22 THR 15 1HG2 THR 15 -17.896 3.774 -15.851 131 HG23 THR 15 2HG2 THR 15 -19.610 4.107 -16.096 132 H LYS 16 H LYS 16 -15.988 4.049 -13.051 133 HA LYS 16 HA LYS 16 -14.136 3.783 -15.324 134 HB2 LYS 16 2HB LYS 16 -12.194 3.765 -13.888 135 HB3 LYS 16 3HB LYS 16 -13.075 5.266 -13.653 136 HG2 LYS 16 2HG LYS 16 -13.369 2.900 -11.810 137 HG3 LYS 16 3HG LYS 16 -12.146 4.149 -11.575 138 HD2 LYS 16 2HD LYS 16 -13.925 5.850 -11.434 139 HD3 LYS 16 3HD LYS 16 -15.139 4.588 -11.655 140 HE2 LYS 16 2HE LYS 16 -14.468 3.532 -9.573 141 HE3 LYS 16 3HE LYS 16 -13.165 4.703 -9.367 142 HZ1 LYS 16 3HZ LYS 16 -15.096 5.253 -8.020 143 HZ2 LYS 16 1HZ LYS 16 -16.064 5.349 -9.401 144 HZ3 LYS 16 2HZ LYS 16 -14.807 6.454 -9.174 145 H VAL 17 H VAL 17 -12.970 1.775 -15.412 146 HA VAL 17 HA VAL 17 -14.535 -0.454 -14.431 147 HB VAL 17 HB VAL 17 -13.631 -0.452 -16.726 148 HG11 VAL 17 1HG1 VAL 17 -11.250 -0.846 -17.134 149 HG12 VAL 17 2HG1 VAL 17 -10.925 -0.687 -15.410 150 HG13 VAL 17 3HG1 VAL 17 -11.521 0.696 -16.324 151 HG21 VAL 17 3HG2 VAL 17 -12.571 -2.682 -14.978 152 HG22 VAL 17 1HG2 VAL 17 -12.751 -2.762 -16.731 153 HG23 VAL 17 2HG2 VAL 17 -14.176 -2.588 -15.706 154 H ARG 18 H ARG 18 -13.766 -2.154 -13.087 155 HA ARG 18 HA ARG 18 -12.136 -1.462 -10.915 156 HB2 ARG 18 2HB ARG 18 -12.125 -3.908 -10.393 157 HB3 ARG 18 3HB ARG 18 -13.725 -3.236 -10.663 158 HG2 ARG 18 2HG ARG 18 -14.063 -4.421 -12.587 159 HG3 ARG 18 3HG ARG 18 -12.348 -4.465 -12.999 160 HD2 ARG 18 2HD ARG 18 -13.502 -6.002 -10.674 161 HD3 ARG 18 3HD ARG 18 -13.413 -6.669 -12.305 162 HE ARG 18 HE ARG 18 -10.935 -6.215 -12.113 163 HH11 ARG 18 1HH1 ARG 18 -12.852 -6.842 -9.310 164 HH12 ARG 18 2HH1 ARG 18 -11.527 -7.550 -8.454 165 HH21 ARG 18 1HH2 ARG 18 -9.263 -7.077 -10.986 166 HH22 ARG 18 2HH2 ARG 18 -9.524 -7.671 -9.380 167 H LEU 19 H LEU 19 -10.129 -2.640 -10.221 168 HA LEU 19 HA LEU 19 -8.025 -2.228 -12.037 169 HB2 LEU 19 2HB LEU 19 -7.826 -2.165 -9.561 170 HB3 LEU 19 3HB LEU 19 -8.003 -3.906 -9.517 171 HG LEU 19 HG LEU 19 -5.739 -2.648 -11.068 172 HD11 LEU 19 1HD1 LEU 19 -4.323 -2.833 -9.084 173 HD12 LEU 19 2HD1 LEU 19 -5.727 -3.290 -8.116 174 HD13 LEU 19 3HD1 LEU 19 -5.633 -1.679 -8.831 175 HD21 LEU 19 3HD2 LEU 19 -4.621 -4.775 -10.535 176 HD22 LEU 19 1HD2 LEU 19 -6.129 -5.032 -11.411 177 HD23 LEU 19 2HD2 LEU 19 -6.062 -5.312 -9.671 178 H ALA 20 H ALA 20 -7.702 -3.354 -13.824 179 HA ALA 20 HA ALA 20 -7.793 -6.307 -13.706 180 HB1 ALA 20 3HB ALA 20 -8.490 -6.341 -16.042 181 HB2 ALA 20 1HB ALA 20 -8.466 -4.578 -16.094 182 HB3 ALA 20 2HB ALA 20 -9.635 -5.415 -15.072 183 H SER 21 H SER 21 -6.449 -3.637 -15.662 184 HA SER 21 HA SER 21 -3.870 -5.087 -15.733 185 HB2 SER 21 2HB SER 21 -4.988 -3.121 -17.757 186 HB3 SER 21 3HB SER 21 -3.388 -3.858 -17.836 187 HG SER 21 HG SER 21 -5.723 -4.839 -18.687 188 H ASP 22 H ASP 22 -5.289 -1.811 -15.749 189 HA ASP 22 HA ASP 22 -2.995 -0.380 -15.030 190 HB2 ASP 22 2HB ASP 22 -5.900 0.212 -14.392 191 HB3 ASP 22 3HB ASP 22 -4.580 1.370 -14.247 192 H THR 23 H THR 23 -1.747 -0.889 -13.321 193 HA THR 23 HA THR 23 -2.941 -1.993 -10.894 194 HB THR 23 HB THR 23 -0.026 -1.618 -11.627 195 HG1 THR 23 HG1 THR 23 -1.360 -3.177 -12.871 196 HG21 THR 23 3HG2 THR 23 -1.297 -3.178 -9.364 197 HG22 THR 23 1HG2 THR 23 -0.363 -1.690 -9.196 198 HG23 THR 23 2HG2 THR 23 0.420 -3.164 -9.766 199 H ARG 24 H ARG 24 -3.554 -0.689 -9.301 200 HA ARG 24 HA ARG 24 -1.878 1.538 -8.452 201 HB2 ARG 24 2HB ARG 24 -3.347 2.531 -10.155 202 HB3 ARG 24 3HB ARG 24 -4.761 1.908 -9.320 203 HG2 ARG 24 2HG ARG 24 -4.266 3.348 -7.400 204 HG3 ARG 24 3HG ARG 24 -2.846 3.978 -8.242 205 HD2 ARG 24 2HD ARG 24 -4.812 5.476 -8.410 206 HD3 ARG 24 3HD ARG 24 -4.239 4.916 -9.981 207 HE ARG 24 HE ARG 24 -6.174 3.132 -9.341 208 HH11 ARG 24 1HH1 ARG 24 -6.100 6.575 -9.499 209 HH12 ARG 24 2HH1 ARG 24 -7.763 6.697 -9.957 210 HH21 ARG 24 1HH2 ARG 24 -8.306 3.301 -9.923 211 HH22 ARG 24 2HH2 ARG 24 -9.004 4.858 -10.175 212 H ILE 25 H ILE 25 -2.296 2.205 -6.284 213 HA ILE 25 HA ILE 25 -4.305 0.702 -4.763 214 HB ILE 25 HB ILE 25 -2.339 -0.721 -4.657 215 HG12 ILE 25 2HG1 ILE 25 -2.708 0.774 -2.044 216 HG13 ILE 25 3HG1 ILE 25 -3.743 -0.523 -2.626 217 HG21 ILE 25 1HG2 ILE 25 -0.625 0.928 -5.158 218 HG22 ILE 25 2HG2 ILE 25 -0.223 0.042 -3.688 219 HG23 ILE 25 3HG2 ILE 25 -0.864 1.682 -3.581 220 HD11 ILE 25 3HD1 ILE 25 -0.832 -0.768 -1.897 221 HD12 ILE 25 1HD1 ILE 25 -1.848 -2.071 -2.514 222 HD13 ILE 25 2HD1 ILE 25 -2.204 -1.338 -0.950 223 H ASN 26 H ASN 26 -5.109 1.764 -3.012 224 HA ASN 26 HA ASN 26 -4.377 4.541 -2.607 225 HB2 ASN 26 2HB ASN 26 -6.488 2.837 -1.252 226 HB3 ASN 26 3HB ASN 26 -6.344 4.589 -1.127 227 HD21 ASN 26 1HD2 ASN 26 -7.139 5.850 -2.755 228 HD22 ASN 26 2HD2 ASN 26 -7.969 5.222 -4.131 229 H VAL 27 H VAL 27 -2.640 4.950 -1.371 230 HA VAL 27 HA VAL 27 -1.969 3.103 0.825 231 HB VAL 27 HB VAL 27 -0.173 5.046 -0.640 232 HG11 VAL 27 1HG1 VAL 27 1.659 3.878 0.472 233 HG12 VAL 27 2HG1 VAL 27 0.506 2.852 1.324 234 HG13 VAL 27 3HG1 VAL 27 0.557 4.583 1.655 235 HG21 VAL 27 3HG2 VAL 27 0.783 3.047 -1.710 236 HG22 VAL 27 1HG2 VAL 27 -0.921 3.254 -2.117 237 HG23 VAL 27 2HG2 VAL 27 -0.437 2.047 -0.924 238 H VAL 28 H VAL 28 -2.316 3.801 2.842 239 HA VAL 28 HA VAL 28 -2.493 6.674 3.413 240 HB VAL 28 HB VAL 28 -3.057 4.334 5.260 241 HG11 VAL 28 1HG1 VAL 28 -2.559 6.415 6.442 242 HG12 VAL 28 2HG1 VAL 28 -4.260 5.986 6.618 243 HG13 VAL 28 3HG1 VAL 28 -3.784 7.261 5.496 244 HG21 VAL 28 3HG2 VAL 28 -4.562 4.301 3.324 245 HG22 VAL 28 1HG2 VAL 28 -5.010 5.979 3.637 246 HG23 VAL 28 2HG2 VAL 28 -5.425 4.721 4.803 247 H ASP 29 H ASP 29 -0.777 7.739 4.227 248 HA ASP 29 HA ASP 29 1.544 6.301 5.192 249 HB2 ASP 29 2HB ASP 29 1.861 8.268 3.777 250 HB3 ASP 29 3HB ASP 29 1.005 9.274 4.941 251 HA PRO 30 HA PRO 30 -0.094 6.458 9.384 252 HB2 PRO 30 2HB PRO 30 1.884 5.056 10.588 253 HB3 PRO 30 3HB PRO 30 0.665 4.284 9.563 254 HG2 PRO 30 2HG PRO 30 3.464 5.122 8.863 255 HG3 PRO 30 3HG PRO 30 2.635 3.595 8.501 256 HD2 PRO 30 2HD PRO 30 2.869 5.587 6.679 257 HD3 PRO 30 3HD PRO 30 1.457 4.511 6.731 258 H GLU 31 H GLU 31 2.891 7.823 8.294 259 HA GLU 31 HA GLU 31 3.706 8.898 10.841 260 HB2 GLU 31 2HB GLU 31 4.615 9.645 8.049 261 HB3 GLU 31 3HB GLU 31 5.414 10.096 9.548 262 HG2 GLU 31 2HG GLU 31 5.083 7.290 8.495 263 HG3 GLU 31 3HG GLU 31 6.556 8.256 8.441 264 H THR 32 H THR 32 2.198 10.262 7.912 265 HA THR 32 HA THR 32 1.657 12.769 9.376 266 HB THR 32 HB THR 32 1.120 13.749 7.179 267 HG1 THR 32 HG1 THR 32 2.108 11.426 5.916 268 HG21 THR 32 3HG2 THR 32 3.387 13.677 6.204 269 HG22 THR 32 1HG2 THR 32 3.783 12.312 7.249 270 HG23 THR 32 2HG2 THR 32 3.430 13.890 7.955 271 H GLY 33 H GLY 33 0.087 9.957 8.148 272 HA2 GLY 33 2HA GLY 33 -2.111 9.274 8.440 273 HA3 GLY 33 3HA GLY 33 -2.479 10.843 9.140 274 H LYS 34 H LYS 34 -0.928 10.782 6.052 275 HA LYS 34 HA LYS 34 -3.282 11.985 4.831 276 HB2 LYS 34 2HB LYS 34 -1.802 12.562 2.988 277 HB3 LYS 34 3HB LYS 34 -1.050 13.001 4.516 278 HG2 LYS 34 2HG LYS 34 0.298 10.924 4.407 279 HG3 LYS 34 3HG LYS 34 -0.406 10.587 2.822 280 HD2 LYS 34 2HD LYS 34 0.540 12.692 1.966 281 HD3 LYS 34 3HD LYS 34 1.248 13.013 3.551 282 HE2 LYS 34 2HE LYS 34 2.546 10.908 3.348 283 HE3 LYS 34 3HE LYS 34 1.897 10.698 1.721 284 HZ1 LYS 34 3HZ LYS 34 2.944 12.768 1.075 285 HZ2 LYS 34 1HZ LYS 34 4.095 11.700 1.696 286 HZ3 LYS 34 2HZ LYS 34 3.548 12.989 2.637 287 H VAL 35 H VAL 35 -4.518 11.106 3.242 288 HA VAL 35 HA VAL 35 -4.131 8.305 2.550 289 HB VAL 35 HB VAL 35 -6.302 10.208 1.621 290 HG11 VAL 35 1HG1 VAL 35 -6.036 8.280 0.140 291 HG12 VAL 35 2HG1 VAL 35 -7.544 8.164 1.045 292 HG13 VAL 35 3HG1 VAL 35 -6.153 7.187 1.519 293 HG21 VAL 35 3HG2 VAL 35 -7.721 9.153 3.327 294 HG22 VAL 35 1HG2 VAL 35 -6.333 9.964 4.054 295 HG23 VAL 35 2HG2 VAL 35 -6.342 8.208 3.890 296 H GLU 36 H GLU 36 -2.401 8.154 1.184 297 HA GLU 36 HA GLU 36 -2.260 9.902 -1.177 298 HB2 GLU 36 2HB GLU 36 -0.273 9.731 0.306 299 HB3 GLU 36 3HB GLU 36 -0.187 8.007 -0.024 300 HG2 GLU 36 2HG GLU 36 1.458 9.218 -1.330 301 HG3 GLU 36 3HG GLU 36 0.256 8.474 -2.383 302 H ILE 37 H ILE 37 -1.502 8.840 -3.239 303 HA ILE 37 HA ILE 37 -2.625 6.123 -3.547 304 HB ILE 37 HB ILE 37 -2.736 8.383 -5.561 305 HG12 ILE 37 2HG1 ILE 37 -4.951 7.061 -3.958 306 HG13 ILE 37 3HG1 ILE 37 -4.310 8.676 -3.677 307 HG21 ILE 37 1HG2 ILE 37 -4.109 6.842 -6.905 308 HG22 ILE 37 2HG2 ILE 37 -3.818 5.566 -5.723 309 HG23 ILE 37 3HG2 ILE 37 -2.475 6.225 -6.658 310 HD11 ILE 37 3HD1 ILE 37 -6.421 8.771 -4.850 311 HD12 ILE 37 1HD1 ILE 37 -5.775 7.755 -6.140 312 HD13 ILE 37 2HD1 ILE 37 -5.120 9.372 -5.877 313 H ALA 38 H ALA 38 -1.303 4.648 -4.448 314 HA ALA 38 HA ALA 38 1.136 5.575 -5.826 315 HB1 ALA 38 3HB ALA 38 2.485 3.953 -4.624 316 HB2 ALA 38 1HB ALA 38 1.071 3.421 -3.713 317 HB3 ALA 38 2HB ALA 38 1.697 5.054 -3.494 318 H GLU 39 H GLU 39 2.310 3.716 -6.884 319 HA GLU 39 HA GLU 39 0.392 1.837 -8.120 320 HB2 GLU 39 2HB GLU 39 2.883 3.072 -9.333 321 HB3 GLU 39 3HB GLU 39 1.798 1.946 -10.141 322 HG2 GLU 39 2HG GLU 39 0.034 3.526 -10.181 323 HG3 GLU 39 3HG GLU 39 0.879 4.598 -9.067 324 H ILE 40 H ILE 40 0.882 -0.300 -8.060 325 HA ILE 40 HA ILE 40 2.989 -1.129 -6.289 326 HB ILE 40 HB ILE 40 1.054 -2.829 -7.880 327 HG12 ILE 40 2HG1 ILE 40 0.905 -1.861 -5.009 328 HG13 ILE 40 3HG1 ILE 40 -0.082 -1.268 -6.341 329 HG21 ILE 40 1HG2 ILE 40 2.794 -3.536 -5.514 330 HG22 ILE 40 2HG2 ILE 40 3.005 -4.097 -7.171 331 HG23 ILE 40 3HG2 ILE 40 1.587 -4.589 -6.251 332 HD11 ILE 40 3HD1 ILE 40 -1.076 -3.496 -6.577 333 HD12 ILE 40 1HD1 ILE 40 -1.333 -2.815 -4.973 334 HD13 ILE 40 2HD1 ILE 40 -0.109 -4.061 -5.216 335 H ARG 41 H ARG 41 5.016 -1.326 -6.952 336 HA ARG 41 HA ARG 41 5.870 -1.921 -9.609 337 HB2 ARG 41 2HB ARG 41 7.431 -2.219 -7.028 338 HB3 ARG 41 3HB ARG 41 8.104 -2.089 -8.645 339 HG2 ARG 41 2HG ARG 41 6.475 0.104 -7.384 340 HG3 ARG 41 3HG ARG 41 8.219 -0.030 -7.174 341 HD2 ARG 41 2HD ARG 41 7.906 1.501 -8.935 342 HD3 ARG 41 3HD ARG 41 8.389 -0.005 -9.707 343 HE ARG 41 HE ARG 41 5.976 -0.323 -10.219 344 HH11 ARG 41 1HH1 ARG 41 7.204 2.836 -9.599 345 HH12 ARG 41 2HH1 ARG 41 5.972 3.618 -10.535 346 HH21 ARG 41 1HH2 ARG 41 4.429 0.665 -11.444 347 HH22 ARG 41 2HH2 ARG 41 4.415 2.391 -11.590 348 H ASN 42 H ASN 42 5.764 -3.822 -6.595 349 HA ASN 42 HA ASN 42 5.747 -6.319 -8.169 350 HB2 ASN 42 2HB ASN 42 7.345 -5.863 -5.634 351 HB3 ASN 42 3HB ASN 42 7.220 -7.383 -6.508 352 HD21 ASN 42 1HD2 ASN 42 7.400 -6.168 -9.136 353 HD22 ASN 42 2HD2 ASN 42 9.043 -5.672 -9.318 354 H VAL 43 H VAL 43 4.189 -7.737 -7.543 355 HA VAL 43 HA VAL 43 2.414 -6.943 -5.367 356 HB VAL 43 HB VAL 43 0.887 -8.660 -6.199 357 HG11 VAL 43 1HG1 VAL 43 2.038 -6.988 -8.435 358 HG12 VAL 43 2HG1 VAL 43 0.844 -6.459 -7.250 359 HG13 VAL 43 3HG1 VAL 43 0.436 -7.724 -8.409 360 HG21 VAL 43 3HG2 VAL 43 2.491 -10.373 -6.846 361 HG22 VAL 43 1HG2 VAL 43 3.084 -9.355 -8.162 362 HG23 VAL 43 2HG2 VAL 43 1.436 -9.985 -8.205 363 H VAL 44 H VAL 44 5.165 -8.391 -5.005 364 HA VAL 44 HA VAL 44 4.148 -10.559 -3.279 365 HB VAL 44 HB VAL 44 5.145 -11.554 -5.261 366 HG11 VAL 44 1HG1 VAL 44 7.513 -11.277 -5.810 367 HG12 VAL 44 2HG1 VAL 44 7.682 -10.092 -4.515 368 HG13 VAL 44 3HG1 VAL 44 6.651 -9.739 -5.902 369 HG21 VAL 44 3HG2 VAL 44 5.386 -12.742 -3.148 370 HG22 VAL 44 1HG2 VAL 44 6.896 -11.894 -2.823 371 HG23 VAL 44 2HG2 VAL 44 6.792 -13.019 -4.177 372 H GLU 45 H GLU 45 4.799 -10.549 -1.237 373 HA GLU 45 HA GLU 45 6.813 -8.643 -0.311 374 HB2 GLU 45 2HB GLU 45 6.016 -9.299 1.954 375 HB3 GLU 45 3HB GLU 45 4.727 -8.706 0.919 376 HG2 GLU 45 2HG GLU 45 3.801 -10.837 0.642 377 HG3 GLU 45 3HG GLU 45 5.265 -11.644 1.199 378 H ASN 46 H ASN 46 7.593 -10.127 2.056 379 HA ASN 46 HA ASN 46 9.711 -11.741 0.953 380 HB2 ASN 46 2HB ASN 46 8.951 -11.226 3.842 381 HB3 ASN 46 3HB ASN 46 10.449 -11.976 3.294 382 HD21 ASN 46 1HD2 ASN 46 8.679 -9.019 3.601 383 HD22 ASN 46 2HD2 ASN 46 9.983 -7.969 3.178 384 H THR 47 H THR 47 7.709 -13.099 0.052 385 HA THR 47 HA THR 47 6.590 -15.054 1.812 386 HB THR 47 HB THR 47 5.840 -16.203 -0.262 387 HG1 THR 47 HG1 THR 47 7.121 -15.848 -1.927 388 HG21 THR 47 3HG2 THR 47 4.371 -14.412 -1.079 389 HG22 THR 47 1HG2 THR 47 5.369 -13.216 -0.252 390 HG23 THR 47 2HG2 THR 47 4.468 -14.410 0.682 391 H ALA 48 H ALA 48 8.117 -16.260 2.875 392 HA ALA 48 HA ALA 48 10.349 -17.472 1.532 393 HB1 ALA 48 3HB ALA 48 10.776 -18.606 3.643 394 HB2 ALA 48 1HB ALA 48 9.196 -18.113 4.252 395 HB3 ALA 48 2HB ALA 48 10.433 -16.900 3.924 396 H ASN 49 H ASN 49 9.019 -18.429 -0.220 397 HA ASN 49 HA ASN 49 7.985 -21.089 0.537 398 HB2 ASN 49 2HB ASN 49 6.695 -19.184 -1.442 399 HB3 ASN 49 3HB ASN 49 6.172 -20.835 -1.132 400 HD21 ASN 49 1HD2 ASN 49 6.600 -20.679 1.734 401 HD22 ASN 49 2HD2 ASN 49 5.327 -19.693 2.354 402 HA PRO 50 HA PRO 50 11.039 -21.316 -3.060 403 HB2 PRO 50 2HB PRO 50 12.780 -23.069 -1.934 404 HB3 PRO 50 3HB PRO 50 12.905 -21.321 -1.705 405 HG2 PRO 50 2HG PRO 50 11.726 -23.390 0.118 406 HG3 PRO 50 3HG PRO 50 12.784 -22.023 0.518 407 HD2 PRO 50 2HD PRO 50 10.090 -21.957 0.887 408 HD3 PRO 50 3HD PRO 50 11.041 -20.507 0.499 409 H HIS 51 H HIS 51 10.221 -22.612 -4.599 410 HA HIS 51 HA HIS 51 9.315 -24.380 -5.700 411 HB2 HIS 51 2HB HIS 51 10.309 -25.954 -3.314 412 HB3 HIS 51 3HB HIS 51 9.530 -26.696 -4.706 413 HD1 HIS 51 HD1 HIS 51 12.752 -25.282 -3.543 414 HD2 HIS 51 HD2 HIS 51 11.082 -26.646 -7.098 415 HE1 HIS 51 HE1 HIS 51 14.685 -25.611 -5.108 416 HE2 HIS 51 HE2 HIS 51 13.670 -26.591 -7.190 417 H PHE 52 H PHE 52 8.001 -22.962 -3.145 418 HA PHE 52 HA PHE 52 5.557 -24.632 -3.215 419 HB2 PHE 52 2HB PHE 52 6.378 -22.698 -1.027 420 HB3 PHE 52 3HB PHE 52 4.987 -23.774 -1.009 421 HD1 PHE 52 HD1 PHE 52 5.653 -26.357 -1.406 422 HD2 PHE 52 HD2 PHE 52 8.221 -23.344 0.183 423 HE1 PHE 52 HE1 PHE 52 7.020 -28.093 -0.320 424 HE2 PHE 52 HE2 PHE 52 9.588 -25.078 1.264 425 HZ PHE 52 HZ PHE 52 8.989 -27.454 1.014 426 H VAL 53 H VAL 53 6.601 -22.299 -4.903 427 HA VAL 53 HA VAL 53 5.247 -19.931 -4.389 428 HB VAL 53 HB VAL 53 5.955 -21.037 -7.118 429 HG11 VAL 53 1HG1 VAL 53 6.081 -18.681 -7.801 430 HG12 VAL 53 2HG1 VAL 53 5.538 -18.188 -6.198 431 HG13 VAL 53 3HG1 VAL 53 4.463 -19.112 -7.246 432 HG21 VAL 53 3HG2 VAL 53 7.888 -21.070 -5.621 433 HG22 VAL 53 1HG2 VAL 53 7.621 -19.373 -5.218 434 HG23 VAL 53 2HG2 VAL 53 8.076 -19.830 -6.860 435 H ARG 54 H ARG 54 3.209 -19.270 -4.571 436 HA ARG 54 HA ARG 54 1.241 -21.012 -5.905 437 HB2 ARG 54 2HB ARG 54 0.832 -18.901 -3.773 438 HB3 ARG 54 3HB ARG 54 -0.432 -19.910 -4.466 439 HG2 ARG 54 2HG ARG 54 0.672 -21.907 -3.579 440 HG3 ARG 54 3HG ARG 54 1.940 -20.898 -2.886 441 HD2 ARG 54 2HD ARG 54 0.235 -19.761 -1.502 442 HD3 ARG 54 3HD ARG 54 -0.992 -20.845 -2.164 443 HE ARG 54 HE ARG 54 1.092 -22.377 -1.079 444 HH11 ARG 54 1HH1 ARG 54 -1.443 -20.290 -0.025 445 HH12 ARG 54 2HH1 ARG 54 -1.618 -21.103 1.492 446 HH21 ARG 54 1HH2 ARG 54 0.892 -23.367 0.892 447 HH22 ARG 54 2HH2 ARG 54 -0.314 -22.812 2.002 448 H ARG 55 H ARG 55 -0.843 -19.054 -6.045 449 HA ARG 55 HA ARG 55 -0.100 -17.769 -8.515 450 HB2 ARG 55 2HB ARG 55 -2.670 -17.652 -6.924 451 HB3 ARG 55 3HB ARG 55 -2.455 -17.011 -8.548 452 HG2 ARG 55 2HG ARG 55 -2.061 -19.231 -9.419 453 HG3 ARG 55 3HG ARG 55 -2.123 -19.916 -7.795 454 HD2 ARG 55 2HD ARG 55 -4.396 -18.535 -9.225 455 HD3 ARG 55 3HD ARG 55 -4.224 -20.273 -8.995 456 HE ARG 55 HE ARG 55 -4.473 -18.428 -6.717 457 HH11 ARG 55 1HH1 ARG 55 -5.508 -21.230 -8.433 458 HH12 ARG 55 2HH1 ARG 55 -6.578 -21.731 -7.171 459 HH21 ARG 55 1HH2 ARG 55 -5.880 -19.064 -5.134 460 HH22 ARG 55 2HH2 ARG 55 -6.792 -20.521 -5.336 461 H ASN 56 H ASN 56 -0.703 -15.457 -8.925 462 HA ASN 56 HA ASN 56 0.599 -13.717 -7.033 463 HB2 ASN 56 2HB ASN 56 0.100 -11.951 -8.750 464 HB3 ASN 56 3HB ASN 56 0.995 -13.330 -9.376 465 HD21 ASN 56 1HD2 ASN 56 -0.755 -11.355 -10.710 466 HD22 ASN 56 2HD2 ASN 56 -1.932 -12.294 -11.552 467 H ILE 57 H ILE 57 -1.508 -14.680 -5.649 468 HA ILE 57 HA ILE 57 -3.739 -12.806 -5.852 469 HB ILE 57 HB ILE 57 -4.388 -15.100 -5.593 470 HG12 ILE 57 2HG1 ILE 57 -5.750 -14.995 -3.511 471 HG13 ILE 57 3HG1 ILE 57 -4.827 -13.585 -3.003 472 HG21 ILE 57 1HG2 ILE 57 -3.790 -16.459 -3.639 473 HG22 ILE 57 2HG2 ILE 57 -2.731 -15.167 -3.070 474 HG23 ILE 57 3HG2 ILE 57 -2.372 -16.001 -4.584 475 HD11 ILE 57 3HD1 ILE 57 -6.984 -12.971 -3.952 476 HD12 ILE 57 1HD1 ILE 57 -6.545 -13.755 -5.470 477 HD13 ILE 57 2HD1 ILE 57 -5.653 -12.336 -4.919 478 H ILE 58 H ILE 58 -3.334 -10.891 -4.950 479 HA ILE 58 HA ILE 58 -1.697 -10.485 -2.650 480 HB ILE 58 HB ILE 58 -3.738 -8.622 -3.901 481 HG12 ILE 58 2HG1 ILE 58 -0.728 -8.789 -4.279 482 HG13 ILE 58 3HG1 ILE 58 -1.934 -9.299 -5.455 483 HG21 ILE 58 1HG2 ILE 58 -2.552 -6.821 -2.734 484 HG22 ILE 58 2HG2 ILE 58 -1.490 -8.006 -1.970 485 HG23 ILE 58 3HG2 ILE 58 -3.212 -7.989 -1.588 486 HD11 ILE 58 3HD1 ILE 58 -2.725 -6.978 -5.614 487 HD12 ILE 58 1HD1 ILE 58 -1.026 -7.151 -6.055 488 HD13 ILE 58 2HD1 ILE 58 -1.463 -6.492 -4.479 489 H THR 59 H THR 59 -2.318 -11.352 -0.728 490 HA THR 59 HA THR 59 -5.138 -11.482 -0.011 491 HB THR 59 HB THR 59 -3.692 -13.418 0.477 492 HG1 THR 59 HG1 THR 59 -4.194 -13.082 3.016 493 HG21 THR 59 3HG2 THR 59 -1.598 -12.250 0.977 494 HG22 THR 59 1HG2 THR 59 -2.055 -13.298 2.321 495 HG23 THR 59 2HG2 THR 59 -2.314 -11.556 2.432 496 H ARG 60 H ARG 60 -5.795 -10.870 2.252 497 HA ARG 60 HA ARG 60 -5.266 -8.112 2.715 498 HB2 ARG 60 2HB ARG 60 -7.435 -9.104 3.250 499 HB3 ARG 60 3HB ARG 60 -6.683 -10.156 4.443 500 HG2 ARG 60 2HG ARG 60 -6.087 -8.219 5.800 501 HG3 ARG 60 3HG ARG 60 -6.792 -7.145 4.591 502 HD2 ARG 60 2HD ARG 60 -8.990 -8.139 4.966 503 HD3 ARG 60 3HD ARG 60 -8.296 -9.260 6.141 504 HE ARG 60 HE ARG 60 -7.902 -6.448 6.719 505 HH11 ARG 60 1HH1 ARG 60 -9.929 -9.198 7.171 506 HH12 ARG 60 2HH1 ARG 60 -10.562 -8.615 8.673 507 HH21 ARG 60 1HH2 ARG 60 -8.755 -5.698 8.625 508 HH22 ARG 60 2HH2 ARG 60 -9.915 -6.660 9.476 509 H GLY 61 H GLY 61 -3.525 -7.277 3.689 510 HA2 GLY 61 2HA GLY 61 -2.106 -7.042 5.613 511 HA3 GLY 61 3HA GLY 61 -2.239 -8.772 5.887 512 H ALA 62 H ALA 62 -1.841 -8.657 2.685 513 HA ALA 62 HA ALA 62 0.913 -9.408 2.763 514 HB1 ALA 62 3HB ALA 62 0.721 -9.665 0.345 515 HB2 ALA 62 1HB ALA 62 -0.827 -8.820 0.360 516 HB3 ALA 62 2HB ALA 62 -0.671 -10.385 1.158 517 H VAL 63 H VAL 63 2.731 -8.276 2.167 518 HA VAL 63 HA VAL 63 2.400 -5.371 1.905 519 HB VAL 63 HB VAL 63 4.916 -6.970 2.426 520 HG11 VAL 63 1HG1 VAL 63 5.880 -4.798 3.093 521 HG12 VAL 63 2HG1 VAL 63 4.399 -3.995 2.573 522 HG13 VAL 63 3HG1 VAL 63 5.412 -4.824 1.393 523 HG21 VAL 63 3HG2 VAL 63 3.297 -7.186 4.248 524 HG22 VAL 63 1HG2 VAL 63 3.157 -5.430 4.343 525 HG23 VAL 63 2HG2 VAL 63 4.682 -6.217 4.746 526 H VAL 64 H VAL 64 2.408 -4.509 -0.065 527 HA VAL 64 HA VAL 64 3.840 -5.884 -2.243 528 HB VAL 64 HB VAL 64 2.482 -4.524 -3.787 529 HG11 VAL 64 1HG1 VAL 64 0.860 -6.035 -1.730 530 HG12 VAL 64 2HG1 VAL 64 1.677 -6.727 -3.133 531 HG13 VAL 64 3HG1 VAL 64 0.320 -5.621 -3.359 532 HG21 VAL 64 3HG2 VAL 64 0.596 -3.191 -2.943 533 HG22 VAL 64 1HG2 VAL 64 2.141 -2.551 -2.382 534 HG23 VAL 64 2HG2 VAL 64 1.125 -3.490 -1.286 535 H GLU 65 H GLU 65 5.243 -4.785 -3.610 536 HA GLU 65 HA GLU 65 6.617 -2.495 -2.455 537 HB2 GLU 65 2HB GLU 65 7.858 -4.412 -3.449 538 HB3 GLU 65 3HB GLU 65 7.165 -4.024 -5.018 539 HG2 GLU 65 2HG GLU 65 9.383 -3.170 -4.968 540 HG3 GLU 65 3HG GLU 65 8.282 -1.796 -4.888 541 H THR 66 H THR 66 6.329 -0.394 -3.103 542 HA THR 66 HA THR 66 4.879 0.102 -5.639 543 HB THR 66 HB THR 66 3.567 1.871 -4.642 544 HG1 THR 66 HG1 THR 66 4.664 1.215 -2.095 545 HG21 THR 66 3HG2 THR 66 3.421 -0.597 -2.893 546 HG22 THR 66 1HG2 THR 66 2.635 -0.399 -4.461 547 HG23 THR 66 2HG2 THR 66 2.148 0.608 -3.097 548 H ASN 67 H ASN 67 4.957 2.576 -6.166 549 HA ASN 67 HA ASN 67 7.664 3.319 -6.498 550 HB2 ASN 67 2HB ASN 67 6.836 5.376 -7.477 551 HB3 ASN 67 3HB ASN 67 5.846 4.030 -8.024 552 HD21 ASN 67 1HD2 ASN 67 5.940 6.926 -6.125 553 HD22 ASN 67 2HD2 ASN 67 4.236 7.032 -5.848 554 H LEU 68 H LEU 68 5.512 3.826 -3.869 555 HA LEU 68 HA LEU 68 7.104 5.995 -2.724 556 HB2 LEU 68 2HB LEU 68 4.715 4.513 -1.609 557 HB3 LEU 68 3HB LEU 68 5.481 5.904 -0.867 558 HG LEU 68 HG LEU 68 4.019 5.889 -3.516 559 HD11 LEU 68 1HD1 LEU 68 2.380 7.299 -2.344 560 HD12 LEU 68 2HD1 LEU 68 3.271 7.074 -0.839 561 HD13 LEU 68 3HD1 LEU 68 2.505 5.693 -1.624 562 HD21 LEU 68 3HD2 LEU 68 5.336 8.164 -2.024 563 HD22 LEU 68 1HD2 LEU 68 4.308 8.336 -3.450 564 HD23 LEU 68 2HD2 LEU 68 5.848 7.485 -3.570 565 H GLY 69 H GLY 69 6.754 2.555 -2.495 566 HA2 GLY 69 2HA GLY 69 8.882 1.585 -1.398 567 HA3 GLY 69 3HA GLY 69 8.281 2.431 0.022 568 H ASN 70 H ASN 70 8.026 0.518 1.218 569 HA ASN 70 HA ASN 70 6.448 -1.670 0.208 570 HB2 ASN 70 2HB ASN 70 7.335 -1.143 3.056 571 HB3 ASN 70 3HB ASN 70 6.783 -2.678 2.393 572 HD21 ASN 70 1HD2 ASN 70 8.251 -2.253 -0.128 573 HD22 ASN 70 2HD2 ASN 70 9.907 -2.551 0.252 574 H VAL 71 H VAL 71 4.286 -1.943 0.365 575 HA VAL 71 HA VAL 71 2.788 -0.260 2.280 576 HB VAL 71 HB VAL 71 1.934 -0.965 -0.540 577 HG11 VAL 71 1HG1 VAL 71 -0.022 0.453 -0.101 578 HG12 VAL 71 2HG1 VAL 71 0.504 0.667 1.568 579 HG13 VAL 71 3HG1 VAL 71 0.027 -0.930 0.993 580 HG21 VAL 71 3HG2 VAL 71 3.646 0.776 -0.489 581 HG22 VAL 71 1HG2 VAL 71 2.699 1.694 0.685 582 HG23 VAL 71 2HG2 VAL 71 2.086 1.454 -0.951 583 H ARG 72 H ARG 72 1.737 -1.457 3.739 584 HA ARG 72 HA ARG 72 1.191 -4.266 3.229 585 HB2 ARG 72 2HB ARG 72 2.076 -3.588 5.414 586 HB3 ARG 72 3HB ARG 72 0.672 -2.569 5.685 587 HG2 ARG 72 2HG ARG 72 -0.761 -4.413 5.932 588 HG3 ARG 72 3HG ARG 72 0.407 -5.528 5.223 589 HD2 ARG 72 2HD ARG 72 0.213 -5.777 7.676 590 HD3 ARG 72 3HD ARG 72 1.836 -5.335 7.160 591 HE ARG 72 HE ARG 72 1.636 -3.359 8.301 592 HH11 ARG 72 1HH1 ARG 72 -1.516 -4.730 7.975 593 HH12 ARG 72 2HH1 ARG 72 -2.195 -3.702 9.187 594 HH21 ARG 72 1HH2 ARG 72 0.746 -2.062 9.858 595 HH22 ARG 72 2HH2 ARG 72 -0.934 -2.223 10.246 596 H VAL 73 H VAL 73 -0.592 -4.860 2.198 597 HA VAL 73 HA VAL 73 -2.749 -3.133 1.619 598 HB VAL 73 HB VAL 73 -2.648 -6.151 1.382 599 HG11 VAL 73 1HG1 VAL 73 -4.448 -4.145 0.012 600 HG12 VAL 73 2HG1 VAL 73 -4.935 -5.308 1.244 601 HG13 VAL 73 3HG1 VAL 73 -4.387 -5.873 -0.333 602 HG21 VAL 73 3HG2 VAL 73 -0.807 -5.056 0.187 603 HG22 VAL 73 1HG2 VAL 73 -1.964 -4.027 -0.660 604 HG23 VAL 73 2HG2 VAL 73 -1.966 -5.770 -0.933 605 H THR 74 H THR 74 -4.549 -2.661 2.708 606 HA THR 74 HA THR 74 -5.304 -4.227 5.080 607 HB THR 74 HB THR 74 -6.795 -2.316 5.629 608 HG1 THR 74 HG1 THR 74 -6.042 -0.365 4.162 609 HG21 THR 74 3HG2 THR 74 -4.500 -2.324 6.500 610 HG22 THR 74 1HG2 THR 74 -5.036 -0.680 6.151 611 HG23 THR 74 2HG2 THR 74 -3.938 -1.503 5.043 612 H SER 75 H SER 75 -7.067 -2.530 2.467 613 HA SER 75 HA SER 75 -9.353 -4.263 2.699 614 HB2 SER 75 2HB SER 75 -8.654 -2.225 0.563 615 HB3 SER 75 3HB SER 75 -10.216 -3.024 0.730 616 HG SER 75 HG SER 75 -9.997 -0.868 1.697 617 H ARG 76 H ARG 76 -9.447 -6.274 1.911 618 HA ARG 76 HA ARG 76 -7.573 -7.430 0.182 619 HB2 ARG 76 2HB ARG 76 -9.243 -8.578 1.773 620 HB3 ARG 76 3HB ARG 76 -10.407 -8.434 0.464 621 HG2 ARG 76 2HG ARG 76 -8.878 -9.736 -0.991 622 HG3 ARG 76 3HG ARG 76 -7.792 -9.942 0.384 623 HD2 ARG 76 2HD ARG 76 -9.767 -10.981 1.604 624 HD3 ARG 76 3HD ARG 76 -10.594 -11.010 0.047 625 HE ARG 76 HE ARG 76 -8.179 -12.541 0.749 626 HH11 ARG 76 1HH1 ARG 76 -10.833 -11.979 -1.382 627 HH12 ARG 76 2HH1 ARG 76 -10.586 -13.461 -2.235 628 HH21 ARG 76 1HH2 ARG 76 -7.896 -14.428 -0.334 629 HH22 ARG 76 2HH2 ARG 76 -8.951 -14.839 -1.644 630 HA PRO 77 HA PRO 77 -8.558 -5.673 -3.785 631 HB2 PRO 77 2HB PRO 77 -7.751 -7.889 -5.308 632 HB3 PRO 77 3HB PRO 77 -6.712 -6.568 -4.771 633 HG2 PRO 77 2HG PRO 77 -7.136 -9.263 -3.550 634 HG3 PRO 77 3HG PRO 77 -5.638 -8.329 -3.717 635 HD2 PRO 77 2HD PRO 77 -6.891 -8.468 -1.372 636 HD3 PRO 77 3HD PRO 77 -6.168 -6.934 -1.913 637 H GLY 78 H GLY 78 -10.559 -5.475 -4.580 638 HA2 GLY 78 2HA GLY 78 -12.018 -6.872 -6.213 639 HA3 GLY 78 3HA GLY 78 -12.276 -7.866 -4.788 640 H GLN 79 H GLN 79 -12.386 -5.691 -2.915 641 HA GLN 79 HA GLN 79 -15.118 -5.077 -2.952 642 HB2 GLN 79 2HB GLN 79 -12.870 -3.673 -1.491 643 HB3 GLN 79 3HB GLN 79 -14.580 -3.468 -1.140 644 HG2 GLN 79 2HG GLN 79 -14.764 -5.784 -0.470 645 HG3 GLN 79 3HG GLN 79 -13.084 -6.074 -0.926 646 HE21 GLN 79 1HE2 GLN 79 -11.435 -5.279 0.387 647 HE22 GLN 79 2HE2 GLN 79 -11.728 -4.728 1.999 648 H ASP 80 H ASP 80 -15.930 -4.023 -4.708 649 HA ASP 80 HA ASP 80 -16.428 -2.356 -6.168 650 HB2 ASP 80 2HB ASP 80 -15.212 -0.684 -3.959 651 HB3 ASP 80 3HB ASP 80 -16.058 -0.005 -5.346 652 H GLY 81 H GLY 81 -13.651 -3.609 -6.174 653 HA2 GLY 81 2HA GLY 81 -11.909 -3.525 -7.686 654 HA3 GLY 81 3HA GLY 81 -12.620 -2.075 -8.369 655 H VAL 82 H VAL 82 -12.219 -1.601 -5.063 656 HA VAL 82 HA VAL 82 -9.767 -0.051 -5.569 657 HB VAL 82 HB VAL 82 -11.701 1.209 -4.697 658 HG11 VAL 82 1HG1 VAL 82 -12.422 0.904 -2.359 659 HG12 VAL 82 2HG1 VAL 82 -11.420 -0.544 -2.253 660 HG13 VAL 82 3HG1 VAL 82 -12.785 -0.494 -3.368 661 HG21 VAL 82 3HG2 VAL 82 -9.441 2.012 -4.225 662 HG22 VAL 82 1HG2 VAL 82 -9.392 1.049 -2.748 663 HG23 VAL 82 2HG2 VAL 82 -10.530 2.390 -2.891 664 H ILE 83 H ILE 83 -7.915 -0.297 -4.392 665 HA ILE 83 HA ILE 83 -7.836 -2.429 -2.340 666 HB ILE 83 HB ILE 83 -5.625 -1.733 -4.299 667 HG12 ILE 83 2HG1 ILE 83 -7.409 -4.185 -4.186 668 HG13 ILE 83 3HG1 ILE 83 -7.509 -2.906 -5.393 669 HG21 ILE 83 1HG2 ILE 83 -5.789 -3.919 -2.215 670 HG22 ILE 83 2HG2 ILE 83 -4.766 -2.485 -2.141 671 HG23 ILE 83 3HG2 ILE 83 -4.480 -3.706 -3.380 672 HD11 ILE 83 3HD1 ILE 83 -5.177 -4.771 -4.974 673 HD12 ILE 83 1HD1 ILE 83 -5.265 -3.483 -6.177 674 HD13 ILE 83 2HD1 ILE 83 -6.370 -4.855 -6.273 675 H ASN 84 H ASN 84 -7.395 -1.563 -0.388 676 HA ASN 84 HA ASN 84 -5.893 0.969 -0.253 677 HB2 ASN 84 2HB ASN 84 -7.612 -0.337 1.872 678 HB3 ASN 84 3HB ASN 84 -6.879 1.264 1.959 679 HD21 ASN 84 1HD2 ASN 84 -7.724 2.922 0.682 680 HD22 ASN 84 2HD2 ASN 84 -9.302 2.818 -0.008 681 H GLY 85 H GLY 85 -4.249 1.259 1.360 682 HA2 GLY 85 2HA GLY 85 -3.260 -1.026 2.843 683 HA3 GLY 85 3HA GLY 85 -2.234 -0.547 1.500 684 H VAL 86 H VAL 86 -0.949 -0.448 3.753 685 HA VAL 86 HA VAL 86 -0.980 2.387 4.616 686 HB VAL 86 HB VAL 86 0.172 0.163 6.299 687 HG11 VAL 86 1HG1 VAL 86 -0.230 1.768 8.133 688 HG12 VAL 86 2HG1 VAL 86 -0.840 2.934 6.956 689 HG13 VAL 86 3HG1 VAL 86 0.844 2.413 6.892 690 HG21 VAL 86 3HG2 VAL 86 -1.940 0.098 7.569 691 HG22 VAL 86 1HG2 VAL 86 -2.136 -0.472 5.912 692 HG23 VAL 86 2HG2 VAL 86 -2.686 1.144 6.360 693 H LEU 87 H LEU 87 0.891 3.536 4.385 694 HA LEU 87 HA LEU 87 3.080 2.357 2.936 695 HB2 LEU 87 2HB LEU 87 2.339 4.664 2.515 696 HB3 LEU 87 3HB LEU 87 2.800 5.117 4.143 697 HG LEU 87 HG LEU 87 5.165 4.636 3.600 698 HD11 LEU 87 1HD1 LEU 87 4.846 2.933 1.893 699 HD12 LEU 87 2HD1 LEU 87 5.832 4.256 1.268 700 HD13 LEU 87 3HD1 LEU 87 4.134 4.129 0.807 701 HD21 LEU 87 3HD2 LEU 87 4.301 6.904 3.350 702 HD22 LEU 87 1HD2 LEU 87 3.829 6.553 1.687 703 HD23 LEU 87 2HD2 LEU 87 5.535 6.561 2.138 704 H ILE 88 H ILE 88 4.436 1.037 3.997 705 HA ILE 88 HA ILE 88 5.545 1.947 6.584 706 HB ILE 88 HB ILE 88 5.777 -0.376 7.287 707 HG12 ILE 88 2HG1 ILE 88 4.508 -1.010 4.612 708 HG13 ILE 88 3HG1 ILE 88 6.106 -1.482 5.165 709 HG21 ILE 88 1HG2 ILE 88 3.423 -0.910 7.649 710 HG22 ILE 88 2HG2 ILE 88 2.958 0.204 6.363 711 HG23 ILE 88 3HG2 ILE 88 3.703 0.821 7.838 712 HD11 ILE 88 3HD1 ILE 88 4.599 -3.362 5.233 713 HD12 ILE 88 1HD1 ILE 88 3.488 -2.468 6.270 714 HD13 ILE 88 2HD1 ILE 88 5.088 -2.917 6.867 715 H ARG 89 H ARG 89 7.633 0.452 7.015 716 HA ARG 89 HA ARG 89 9.285 0.335 4.584 717 HB2 ARG 89 2HB ARG 89 10.140 1.773 7.116 718 HB3 ARG 89 3HB ARG 89 11.133 1.532 5.686 719 HG2 ARG 89 2HG ARG 89 8.593 3.160 5.784 720 HG3 ARG 89 3HG ARG 89 10.231 3.811 5.857 721 HD2 ARG 89 2HD ARG 89 9.033 2.260 3.556 722 HD3 ARG 89 3HD ARG 89 9.298 4.003 3.601 723 HE ARG 89 HE ARG 89 11.608 2.232 3.915 724 HH11 ARG 89 1HH1 ARG 89 9.842 4.457 1.954 725 HH12 ARG 89 2HH1 ARG 89 11.149 4.679 0.846 726 HH21 ARG 89 1HH2 ARG 89 13.256 2.512 2.466 727 HH22 ARG 89 2HH2 ARG 89 13.055 3.600 1.134 728 H GLU 90 H GLU 90 9.335 -1.934 4.746 729 HA GLU 90 HA GLU 90 10.541 -3.039 7.199 730 HB2 GLU 90 2HB GLU 90 9.006 -4.456 5.008 731 HB3 GLU 90 3HB GLU 90 9.706 -5.241 6.419 732 HG2 GLU 90 2HG GLU 90 8.267 -3.700 7.822 733 HG3 GLU 90 3HG GLU 90 7.438 -3.270 6.326 734 H LEU 91 H LEU 91 10.767 -3.398 3.638 735 HA LEU 91 HA LEU 91 13.039 -5.015 3.585 736 HB2 LEU 91 2HB LEU 91 12.182 -2.922 1.578 737 HB3 LEU 91 3HB LEU 91 13.384 -4.167 1.281 738 HG LEU 91 HG LEU 91 10.426 -4.578 1.763 739 HD11 LEU 91 1HD1 LEU 91 10.456 -5.518 -0.501 740 HD12 LEU 91 2HD1 LEU 91 12.169 -5.122 -0.643 741 HD13 LEU 91 3HD1 LEU 91 10.976 -3.831 -0.486 742 HD21 LEU 91 3HD2 LEU 91 11.667 -6.344 2.887 743 HD22 LEU 91 1HD2 LEU 91 12.595 -6.653 1.419 744 HD23 LEU 91 2HD2 LEU 91 10.860 -6.974 1.453 745 H GLU 92 H GLU 92 15.258 -4.520 3.127 746 HA GLU 92 HA GLU 92 16.289 -2.804 5.074 747 HB2 GLU 92 2HB GLU 92 17.429 -4.816 4.263 748 HB3 GLU 92 3HB GLU 92 17.713 -4.038 2.711 749 HG2 GLU 92 2HG GLU 92 19.216 -2.473 3.668 750 HG3 GLU 92 3HG GLU 92 18.760 -2.935 5.308 751 H HIS 93 H HIS 93 16.205 -0.659 5.066 752 HA HIS 93 HA HIS 93 16.024 0.906 2.686 753 HB2 HIS 93 2HB HIS 93 16.210 2.865 4.279 754 HB3 HIS 93 3HB HIS 93 14.885 1.751 4.584 755 HD1 HIS 93 HD1 HIS 93 14.796 0.652 6.848 756 HD2 HIS 93 HD2 HIS 93 18.363 2.674 6.193 757 HE1 HIS 93 HE1 HIS 93 15.954 0.697 9.068 758 HE2 HIS 93 HE2 HIS 93 18.173 1.791 8.615 759 H HIS 94 H HIS 94 18.698 0.010 4.771 760 HA HIS 94 HA HIS 94 20.547 1.922 3.679 761 HB2 HIS 94 2HB HIS 94 20.772 0.862 5.944 762 HB3 HIS 94 3HB HIS 94 21.156 -0.659 5.148 763 HD1 HIS 94 HD1 HIS 94 23.582 -1.087 4.961 764 HD2 HIS 94 HD2 HIS 94 22.750 2.984 5.100 765 HE1 HIS 94 HE1 HIS 94 25.818 0.057 4.957 766 HE2 HIS 94 HE2 HIS 94 25.292 2.516 5.035 767 H HIS 95 H HIS 95 20.633 1.757 1.462 768 HA HIS 95 HA HIS 95 20.385 -0.444 -0.133 769 HB2 HIS 95 2HB HIS 95 21.615 0.820 -1.893 770 HB3 HIS 95 3HB HIS 95 20.370 1.763 -1.088 771 HD1 HIS 95 HD1 HIS 95 24.100 1.469 -1.414 772 HD2 HIS 95 HD2 HIS 95 21.283 4.020 0.267 773 HE1 HIS 95 HE1 HIS 95 25.359 3.549 -0.800 774 HE2 HIS 95 HE2 HIS 95 23.616 5.131 0.073 775 H HIS 96 H HIS 96 21.388 -2.320 0.049 776 HA HIS 96 HA HIS 96 24.169 -2.465 0.912 777 HB2 HIS 96 2HB HIS 96 22.321 -3.887 1.881 778 HB3 HIS 96 3HB HIS 96 22.261 -4.742 0.347 779 HD1 HIS 96 HD1 HIS 96 23.874 -4.791 3.581 780 HD2 HIS 96 HD2 HIS 96 24.833 -6.104 -0.242 781 HE1 HIS 96 HE1 HIS 96 25.688 -6.490 3.891 782 HE2 HIS 96 HE2 HIS 96 26.164 -7.360 1.582 783 H HIS 97 H HIS 97 25.766 -2.496 -0.537 784 HA HIS 97 HA HIS 97 25.566 -4.356 -2.797 785 HB2 HIS 97 2HB HIS 97 26.487 -1.479 -3.007 786 HB3 HIS 97 3HB HIS 97 26.879 -2.699 -4.212 787 HD1 HIS 97 HD1 HIS 97 24.482 -4.009 -5.048 788 HD2 HIS 97 HD2 HIS 97 24.300 -0.067 -3.750 789 HE1 HIS 97 HE1 HIS 97 22.380 -3.073 -6.038 790 HE2 HIS 97 HE2 HIS 97 22.208 -0.747 -5.104 791 H HIS 98 H HIS 98 27.389 -5.552 -3.105 792 HA HIS 98 HA HIS 98 29.830 -4.824 -1.629 793 HB2 HIS 98 2HB HIS 98 28.467 -6.304 -0.176 794 HB3 HIS 98 3HB HIS 98 28.473 -7.530 -1.438 795 HD1 HIS 98 HD1 HIS 98 30.693 -8.827 -1.815 796 HD2 HIS 98 HD2 HIS 98 30.792 -6.129 1.340 797 HE1 HIS 98 HE1 HIS 98 32.763 -9.393 -0.513 798 HE2 HIS 98 HE2 HIS 98 32.738 -7.827 1.459
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