NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17397 | 2com | 10011 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -25.299 8.501 -8.113 2 HA2 GLY 1 1HA GLY 1 -23.322 9.948 -7.653 3 HA3 GLY 1 2HA GLY 1 -22.882 8.491 -8.532 4 H SER 2 H SER 2 -21.074 9.485 -9.460 5 HA SER 2 HA SER 2 -21.140 11.926 -10.861 6 HB2 SER 2 1HB SER 2 -19.273 9.563 -11.175 7 HB3 SER 2 2HB SER 2 -18.999 11.163 -11.864 8 HG SER 2 HG SER 2 -19.424 11.706 -9.419 9 H SER 3 H SER 3 -22.317 12.355 -12.598 10 HA SER 3 HA SER 3 -22.638 10.247 -14.633 11 HB2 SER 3 1HB SER 3 -24.825 11.029 -15.117 12 HB3 SER 3 2HB SER 3 -24.730 10.973 -13.357 13 HG SER 3 HG SER 3 -25.456 12.957 -13.619 14 H GLY 4 H GLY 4 -22.825 10.988 -16.855 15 HA2 GLY 4 1HA GLY 4 -22.520 13.494 -17.874 16 HA3 GLY 4 2HA GLY 4 -20.883 13.036 -17.426 17 H SER 5 H SER 5 -19.874 12.644 -19.295 18 HA SER 5 HA SER 5 -20.912 10.488 -20.969 19 HB2 SER 5 1HB SER 5 -20.382 11.819 -23.037 20 HB3 SER 5 2HB SER 5 -21.758 12.429 -22.116 21 HG SER 5 HG SER 5 -20.129 14.013 -22.845 22 H SER 6 H SER 6 -19.354 9.075 -21.383 23 HA SER 6 HA SER 6 -16.558 10.007 -21.298 24 HB2 SER 6 1HB SER 6 -17.719 7.377 -20.355 25 HB3 SER 6 2HB SER 6 -15.991 7.698 -20.493 26 HG SER 6 HG SER 6 -16.602 9.629 -19.097 27 H GLY 7 H GLY 7 -18.795 7.632 -22.690 28 HA2 GLY 7 1HA GLY 7 -18.819 7.268 -25.074 29 HA3 GLY 7 2HA GLY 7 -17.092 7.590 -25.094 30 H GLU 8 H GLU 8 -16.764 5.626 -26.236 31 HA GLU 8 HA GLU 8 -16.865 3.262 -24.485 32 HB2 GLU 8 1HB GLU 8 -17.204 1.906 -26.592 33 HB3 GLU 8 2HB GLU 8 -18.578 2.875 -26.080 34 HG2 GLU 8 1HG GLU 8 -17.859 4.615 -27.721 35 HG3 GLU 8 2HG GLU 8 -16.654 3.471 -28.311 36 H GLU 9 H GLU 9 -14.656 4.015 -23.996 37 HA GLU 9 HA GLU 9 -12.756 2.655 -25.693 38 HB2 GLU 9 1HB GLU 9 -11.308 4.522 -26.096 39 HB3 GLU 9 2HB GLU 9 -12.914 4.954 -26.665 40 HG2 GLU 9 1HG GLU 9 -13.259 6.468 -24.961 41 HG3 GLU 9 2HG GLU 9 -12.060 5.716 -23.910 42 HA PRO 10 HA PRO 10 -10.987 1.816 -21.752 43 HB2 PRO 10 1HB PRO 10 -8.513 1.034 -22.551 44 HB3 PRO 10 2HB PRO 10 -9.953 0.032 -22.766 45 HG2 PRO 10 1HG PRO 10 -8.559 1.795 -24.743 46 HG3 PRO 10 2HG PRO 10 -9.218 0.164 -24.968 47 HD2 PRO 10 1HD PRO 10 -10.527 2.389 -25.784 48 HD3 PRO 10 2HD PRO 10 -11.376 0.934 -25.222 49 H SER 11 H SER 11 -8.718 2.209 -20.644 50 HA SER 11 HA SER 11 -7.666 4.853 -21.329 51 HB2 SER 11 1HB SER 11 -9.421 5.303 -19.694 52 HB3 SER 11 2HB SER 11 -8.734 4.107 -18.595 53 HG SER 11 HG SER 11 -7.867 5.946 -17.880 54 H GLY 12 H GLY 12 -5.593 5.306 -20.429 55 HA2 GLY 12 1HA GLY 12 -3.886 3.046 -20.314 56 HA3 GLY 12 2HA GLY 12 -3.422 4.707 -19.975 57 H VAL 13 H VAL 13 -2.470 4.815 -18.059 58 HA VAL 13 HA VAL 13 -2.732 2.916 -16.012 59 HB VAL 13 HB VAL 13 -1.784 5.778 -15.815 60 HG11 VAL 13 1HG1 VAL 13 -1.494 5.473 -13.636 61 HG12 VAL 13 2HG1 VAL 13 -2.322 3.920 -13.768 62 HG13 VAL 13 3HG1 VAL 13 -0.568 4.002 -13.932 63 HG21 VAL 13 1HG2 VAL 13 -0.278 4.852 -17.271 64 HG22 VAL 13 2HG2 VAL 13 0.467 4.408 -15.735 65 HG23 VAL 13 3HG2 VAL 13 -0.488 3.224 -16.627 66 H GLU 14 H GLU 14 -4.190 6.134 -16.386 67 HA GLU 14 HA GLU 14 -5.475 6.450 -14.005 68 HB2 GLU 14 1HB GLU 14 -6.564 7.061 -16.758 69 HB3 GLU 14 2HB GLU 14 -7.238 7.685 -15.259 70 HG2 GLU 14 1HG GLU 14 -5.348 9.005 -14.828 71 HG3 GLU 14 2HG GLU 14 -4.379 8.153 -16.030 72 H GLY 15 H GLY 15 -6.714 4.628 -16.802 73 HA2 GLY 15 1HA GLY 15 -9.174 3.854 -15.932 74 HA3 GLY 15 2HA GLY 15 -8.117 2.796 -16.856 75 H ALA 16 H ALA 16 -6.083 2.507 -14.883 76 HA ALA 16 HA ALA 16 -6.929 0.271 -13.512 77 HB1 ALA 16 1HB ALA 16 -4.711 2.190 -12.820 78 HB2 ALA 16 2HB ALA 16 -4.935 0.614 -12.060 79 HB3 ALA 16 3HB ALA 16 -4.593 0.720 -13.787 80 H ALA 17 H ALA 17 -7.012 3.643 -12.491 81 HA ALA 17 HA ALA 17 -7.852 3.063 -9.814 82 HB1 ALA 17 1HB ALA 17 -8.411 5.563 -9.838 83 HB2 ALA 17 2HB ALA 17 -6.723 5.095 -10.043 84 HB3 ALA 17 3HB ALA 17 -7.681 5.576 -11.443 85 H PHE 18 H PHE 18 -9.476 4.100 -12.788 86 HA PHE 18 HA PHE 18 -11.982 4.696 -11.994 87 HB2 PHE 18 1HB PHE 18 -11.748 4.760 -14.289 88 HB3 PHE 18 2HB PHE 18 -10.952 3.191 -14.357 89 HD1 PHE 18 2HD PHE 18 -14.197 4.899 -14.060 90 HD2 PHE 18 1HD PHE 18 -12.195 1.186 -14.628 91 HE1 PHE 18 2HE PHE 18 -16.327 3.854 -14.711 92 HE2 PHE 18 1HE PHE 18 -14.321 0.135 -15.282 93 HZ PHE 18 HZ PHE 18 -16.391 1.469 -15.323 94 H GLN 19 H GLN 19 -11.019 1.347 -12.768 95 HA GLN 19 HA GLN 19 -13.232 -0.025 -12.037 96 HB2 GLN 19 1HB GLN 19 -11.896 -1.930 -11.740 97 HB3 GLN 19 2HB GLN 19 -10.971 -0.921 -12.844 98 HG2 GLN 19 1HG GLN 19 -9.316 -1.509 -11.415 99 HG3 GLN 19 2HG GLN 19 -9.895 -0.063 -10.591 100 HE21 GLN 19 1HE2 GLN 19 -8.961 -0.968 -8.678 101 HE22 GLN 19 2HE2 GLN 19 -9.817 -2.169 -7.779 102 H SER 20 H SER 20 -10.922 1.484 -9.877 103 HA SER 20 HA SER 20 -12.353 0.448 -7.542 104 HB2 SER 20 1HB SER 20 -9.759 0.510 -7.805 105 HB3 SER 20 2HB SER 20 -9.928 2.216 -7.389 106 HG SER 20 HG SER 20 -10.221 -0.029 -5.814 107 H ARG 21 H ARG 21 -13.755 1.642 -6.431 108 HA ARG 21 HA ARG 21 -14.510 4.228 -7.329 109 HB2 ARG 21 1HB ARG 21 -15.312 2.490 -5.017 110 HB3 ARG 21 2HB ARG 21 -15.881 4.150 -5.120 111 HG2 ARG 21 1HG ARG 21 -16.264 2.135 -7.317 112 HG3 ARG 21 2HG ARG 21 -17.440 2.416 -6.031 113 HD2 ARG 21 1HD ARG 21 -16.435 4.752 -7.577 114 HD3 ARG 21 2HD ARG 21 -17.597 3.672 -8.347 115 HE ARG 21 HE ARG 21 -18.126 5.569 -6.284 116 HH11 ARG 21 2HH1 ARG 21 -19.099 2.488 -7.580 117 HH12 ARG 21 1HH1 ARG 21 -20.718 2.597 -6.972 118 HH21 ARG 21 2HH2 ARG 21 -20.254 5.724 -5.478 119 HH22 ARG 21 1HH2 ARG 21 -21.374 4.439 -5.777 120 H LEU 22 H LEU 22 -12.418 5.297 -7.140 121 HA LEU 22 HA LEU 22 -12.252 6.836 -4.740 122 HB2 LEU 22 1HB LEU 22 -10.171 6.165 -3.907 123 HB3 LEU 22 2HB LEU 22 -11.059 4.669 -4.187 124 HG LEU 22 HG LEU 22 -9.760 4.693 -6.469 125 HD11 LEU 22 1HD1 LEU 22 -8.614 6.696 -6.472 126 HD12 LEU 22 2HD1 LEU 22 -7.390 5.570 -5.885 127 HD13 LEU 22 3HD1 LEU 22 -8.247 6.611 -4.749 128 HD21 LEU 22 1HD2 LEU 22 -7.947 3.407 -5.385 129 HD22 LEU 22 2HD2 LEU 22 -9.554 2.941 -4.826 130 HD23 LEU 22 3HD2 LEU 22 -8.529 3.961 -3.815 131 HA PRO 23 HA PRO 23 -10.546 9.741 -7.557 132 HB2 PRO 23 1HB PRO 23 -9.134 11.323 -5.862 133 HB3 PRO 23 2HB PRO 23 -10.900 11.330 -5.936 134 HG2 PRO 23 1HG PRO 23 -9.091 9.943 -3.996 135 HG3 PRO 23 2HG PRO 23 -10.590 10.837 -3.684 136 HD2 PRO 23 1HD PRO 23 -10.501 8.132 -3.787 137 HD3 PRO 23 2HD PRO 23 -11.925 9.061 -4.300 138 H HIS 24 H HIS 24 -8.938 9.464 -8.959 139 HA HIS 24 HA HIS 24 -6.495 8.133 -8.152 140 HB2 HIS 24 1HB HIS 24 -5.954 8.217 -10.583 141 HB3 HIS 24 2HB HIS 24 -7.497 7.441 -10.240 142 HD1 HIS 24 1HD HIS 24 -9.661 8.813 -10.852 143 HD2 HIS 24 2HD HIS 24 -6.087 10.471 -12.170 144 HE1 HIS 24 1HE HIS 24 -10.311 10.539 -12.562 145 HE2 HIS 24 2HE HIS 24 -8.128 11.469 -13.407 146 H ASP 25 H ASP 25 -7.472 11.198 -7.884 147 HA ASP 25 HA ASP 25 -4.882 12.363 -8.648 148 HB2 ASP 25 1HB ASP 25 -6.652 13.559 -9.696 149 HB3 ASP 25 2HB ASP 25 -7.596 13.603 -8.210 150 H ARG 26 H ARG 26 -7.071 11.806 -5.988 151 HA ARG 26 HA ARG 26 -5.034 12.887 -4.156 152 HB2 ARG 26 1HB ARG 26 -6.901 13.492 -2.615 153 HB3 ARG 26 2HB ARG 26 -6.892 14.411 -4.114 154 HG2 ARG 26 1HG ARG 26 -8.782 13.372 -4.923 155 HG3 ARG 26 2HG ARG 26 -8.560 11.948 -3.904 156 HD2 ARG 26 1HD ARG 26 -10.367 13.080 -2.940 157 HD3 ARG 26 2HD ARG 26 -8.986 13.513 -1.931 158 HE ARG 26 HE ARG 26 -9.145 15.690 -2.678 159 HH11 ARG 26 2HH1 ARG 26 -11.256 13.629 -4.526 160 HH12 ARG 26 1HH1 ARG 26 -12.092 14.944 -5.283 161 HH21 ARG 26 2HH2 ARG 26 -10.238 17.430 -3.668 162 HH22 ARG 26 1HH2 ARG 26 -11.511 17.106 -4.795 163 H MET 27 H MET 27 -5.620 12.038 -1.807 164 HA MET 27 HA MET 27 -5.751 9.122 -2.060 165 HB2 MET 27 1HB MET 27 -4.764 10.847 0.218 166 HB3 MET 27 2HB MET 27 -4.729 9.090 0.189 167 HG2 MET 27 1HG MET 27 -3.132 9.059 -1.556 168 HG3 MET 27 2HG MET 27 -3.329 10.785 -1.855 169 HE1 MET 27 1HE MET 27 -1.282 8.121 0.422 170 HE2 MET 27 2HE MET 27 -1.468 9.000 1.940 171 HE3 MET 27 3HE MET 27 -2.893 8.420 1.076 172 H THR 28 H THR 28 -6.852 7.912 -0.327 173 HA THR 28 HA THR 28 -9.330 9.286 0.468 174 HB THR 28 HB THR 28 -10.283 6.967 0.681 175 HG1 THR 28 1HG THR 28 -8.488 5.680 0.805 176 HG21 THR 28 1HG2 THR 28 -11.000 7.980 -1.258 177 HG22 THR 28 2HG2 THR 28 -10.147 6.585 -1.920 178 HG23 THR 28 3HG2 THR 28 -9.365 8.166 -1.892 179 H SER 29 H SER 29 -10.371 8.204 2.464 180 HA SER 29 HA SER 29 -8.934 8.797 4.718 181 HB2 SER 29 1HB SER 29 -11.408 8.356 4.591 182 HB3 SER 29 2HB SER 29 -11.042 6.631 4.596 183 HG SER 29 HG SER 29 -9.721 7.466 6.603 184 H GLN 30 H GLN 30 -9.188 5.664 3.094 185 HA GLN 30 HA GLN 30 -7.706 4.198 5.003 186 HB2 GLN 30 1HB GLN 30 -8.595 3.758 2.197 187 HB3 GLN 30 2HB GLN 30 -7.303 2.735 2.810 188 HG2 GLN 30 1HG GLN 30 -9.109 1.466 3.354 189 HG3 GLN 30 2HG GLN 30 -8.950 2.418 4.829 190 HE21 GLN 30 1HE2 GLN 30 -10.139 4.644 4.561 191 HE22 GLN 30 2HE2 GLN 30 -11.770 4.513 4.009 192 H GLU 31 H GLU 31 -6.712 5.255 1.740 193 HA GLU 31 HA GLU 31 -4.044 4.634 1.884 194 HB2 GLU 31 1HB GLU 31 -5.469 6.887 0.486 195 HB3 GLU 31 2HB GLU 31 -3.734 6.654 0.323 196 HG2 GLU 31 1HG GLU 31 -5.234 5.658 -1.473 197 HG3 GLU 31 2HG GLU 31 -3.986 4.621 -0.784 198 H ALA 32 H ALA 32 -5.653 7.547 3.079 199 HA ALA 32 HA ALA 32 -3.345 8.962 3.834 200 HB1 ALA 32 1HB ALA 32 -5.523 9.528 5.611 201 HB2 ALA 32 2HB ALA 32 -4.842 10.525 4.324 202 HB3 ALA 32 3HB ALA 32 -6.119 9.364 3.959 203 H ALA 33 H ALA 33 -5.357 6.638 5.584 204 HA ALA 33 HA ALA 33 -4.001 6.913 8.069 205 HB1 ALA 33 1HB ALA 33 -5.104 4.459 8.249 206 HB2 ALA 33 2HB ALA 33 -5.994 5.959 8.509 207 HB3 ALA 33 3HB ALA 33 -6.071 5.147 6.945 208 H CYS 34 H CYS 34 -3.746 4.599 5.392 209 HA CYS 34 HA CYS 34 -1.785 2.961 6.598 210 HB2 CYS 34 1HB CYS 34 -3.313 2.607 4.468 211 HB3 CYS 34 2HB CYS 34 -1.913 3.263 3.628 212 HG CYS 34 HG CYS 34 -0.255 1.240 5.035 213 H PHE 35 H PHE 35 -1.564 5.696 4.354 214 HA PHE 35 HA PHE 35 1.328 5.807 4.906 215 HB2 PHE 35 1HB PHE 35 -0.046 6.896 2.447 216 HB3 PHE 35 2HB PHE 35 1.685 6.734 2.722 217 HD1 PHE 35 2HD PHE 35 -1.435 4.763 2.337 218 HD2 PHE 35 1HD PHE 35 2.812 4.810 2.062 219 HE1 PHE 35 2HE PHE 35 -1.482 2.540 1.284 220 HE2 PHE 35 1HE PHE 35 2.772 2.586 1.008 221 HZ PHE 35 HZ PHE 35 0.623 1.448 0.619 222 HA PRO 36 HA PRO 36 -0.406 9.594 6.814 223 HB2 PRO 36 1HB PRO 36 1.479 9.721 8.763 224 HB3 PRO 36 2HB PRO 36 0.030 8.718 8.893 225 HG2 PRO 36 1HG PRO 36 2.814 7.932 8.123 226 HG3 PRO 36 2HG PRO 36 1.671 7.098 9.193 227 HD2 PRO 36 1HD PRO 36 2.081 6.341 6.625 228 HD3 PRO 36 2HD PRO 36 0.510 6.166 7.433 229 H ASP 37 H ASP 37 3.032 8.835 6.283 230 HA ASP 37 HA ASP 37 3.974 11.469 6.199 231 HB2 ASP 37 1HB ASP 37 5.018 8.981 4.833 232 HB3 ASP 37 2HB ASP 37 5.896 10.506 4.914 233 H ILE 38 H ILE 38 2.674 9.392 3.655 234 HA ILE 38 HA ILE 38 3.240 11.092 1.482 235 HB ILE 38 HB ILE 38 1.004 9.081 1.769 236 HG12 ILE 38 1HG1 ILE 38 3.138 8.005 2.075 237 HG13 ILE 38 2HG1 ILE 38 2.558 7.619 0.459 238 HG21 ILE 38 1HG2 ILE 38 1.170 10.987 -0.140 239 HG22 ILE 38 2HG2 ILE 38 2.112 9.696 -0.884 240 HG23 ILE 38 3HG2 ILE 38 0.446 9.398 -0.388 241 HD11 ILE 38 1HD1 ILE 38 4.926 8.106 0.434 242 HD12 ILE 38 2HD1 ILE 38 4.036 9.334 -0.467 243 HD13 ILE 38 3HD1 ILE 38 4.629 9.687 1.156 244 H ILE 39 H ILE 39 0.183 10.605 3.257 245 HA ILE 39 HA ILE 39 -1.258 12.633 1.973 246 HB ILE 39 HB ILE 39 -2.352 10.919 3.326 247 HG12 ILE 39 1HG1 ILE 39 -3.839 12.492 4.692 248 HG13 ILE 39 2HG1 ILE 39 -2.781 13.789 4.147 249 HG21 ILE 39 1HG2 ILE 39 -0.861 12.242 5.564 250 HG22 ILE 39 2HG2 ILE 39 -2.335 11.323 5.862 251 HG23 ILE 39 3HG2 ILE 39 -0.935 10.533 5.137 252 HD11 ILE 39 1HD1 ILE 39 -4.197 13.968 2.441 253 HD12 ILE 39 2HD1 ILE 39 -3.406 12.524 1.808 254 HD13 ILE 39 3HD1 ILE 39 -4.898 12.378 2.736 255 H SER 40 H SER 40 0.976 12.730 4.663 256 HA SER 40 HA SER 40 0.400 15.568 5.106 257 HB2 SER 40 1HB SER 40 0.588 13.896 7.031 258 HB3 SER 40 2HB SER 40 2.319 13.864 6.695 259 HG SER 40 HG SER 40 1.070 15.576 8.195 260 H GLY 41 H GLY 41 1.691 14.768 2.682 261 HA2 GLY 41 1HA GLY 41 4.325 16.045 3.091 262 HA3 GLY 41 2HA GLY 41 4.100 14.707 1.973 263 HA PRO 42 HA PRO 42 3.630 18.813 -0.246 264 HB2 PRO 42 1HB PRO 42 5.611 18.389 -2.053 265 HB3 PRO 42 2HB PRO 42 5.892 19.140 -0.478 266 HG2 PRO 42 1HG PRO 42 6.347 16.308 -1.334 267 HG3 PRO 42 2HG PRO 42 7.382 17.359 -0.349 268 HD2 PRO 42 1HD PRO 42 5.780 15.463 0.734 269 HD3 PRO 42 2HD PRO 42 6.152 16.987 1.565 270 H GLN 43 H GLN 43 2.517 19.064 -2.147 271 HA GLN 43 HA GLN 43 0.898 17.193 -3.177 272 HB2 GLN 43 1HB GLN 43 0.736 18.492 -5.222 273 HB3 GLN 43 2HB GLN 43 0.863 19.569 -3.838 274 HG2 GLN 43 1HG GLN 43 3.281 18.799 -5.425 275 HG3 GLN 43 2HG GLN 43 2.220 20.107 -5.944 276 HE21 GLN 43 1HE2 GLN 43 2.337 22.046 -4.954 277 HE22 GLN 43 2HE2 GLN 43 3.433 22.419 -3.672 278 H GLN 44 H GLN 44 4.279 17.625 -4.037 279 HA GLN 44 HA GLN 44 4.365 15.902 -6.249 280 HB2 GLN 44 1HB GLN 44 6.155 17.527 -5.488 281 HB3 GLN 44 2HB GLN 44 6.614 16.330 -4.284 282 HG2 GLN 44 1HG GLN 44 8.046 16.220 -6.246 283 HG3 GLN 44 2HG GLN 44 7.126 14.731 -6.034 284 HE21 GLN 44 1HE2 GLN 44 6.476 13.930 -7.885 285 HE22 GLN 44 2HE2 GLN 44 5.950 14.829 -9.264 286 H THR 45 H THR 45 5.402 15.231 -2.900 287 HA THR 45 HA THR 45 5.912 12.540 -3.143 288 HB THR 45 HB THR 45 4.741 14.004 -0.772 289 HG1 THR 45 1HG THR 45 6.959 13.931 -0.094 290 HG21 THR 45 1HG2 THR 45 6.266 11.731 -0.006 291 HG22 THR 45 2HG2 THR 45 5.053 11.205 -1.173 292 HG23 THR 45 3HG2 THR 45 4.559 12.056 0.290 293 H GLN 46 H GLN 46 2.804 14.091 -2.400 294 HA GLN 46 HA GLN 46 1.283 11.796 -2.002 295 HB2 GLN 46 1HB GLN 46 0.540 14.509 -3.088 296 HB3 GLN 46 2HB GLN 46 -0.652 13.251 -2.787 297 HG2 GLN 46 1HG GLN 46 0.035 13.198 -0.426 298 HG3 GLN 46 2HG GLN 46 1.166 14.512 -0.747 299 HE21 GLN 46 1HE2 GLN 46 -0.643 14.899 1.176 300 HE22 GLN 46 2HE2 GLN 46 -1.869 16.004 0.665 301 H LYS 47 H LYS 47 1.855 13.604 -5.010 302 HA LYS 47 HA LYS 47 0.312 11.952 -6.680 303 HB2 LYS 47 1HB LYS 47 2.674 13.736 -7.272 304 HB3 LYS 47 2HB LYS 47 1.742 12.923 -8.522 305 HG2 LYS 47 1HG LYS 47 -0.284 14.097 -7.697 306 HG3 LYS 47 2HG LYS 47 0.746 14.994 -6.579 307 HD2 LYS 47 1HD LYS 47 1.224 14.960 -9.549 308 HD3 LYS 47 2HD LYS 47 0.171 16.144 -8.770 309 HE2 LYS 47 1HE LYS 47 1.922 17.156 -7.650 310 HE3 LYS 47 2HE LYS 47 2.947 15.725 -7.747 311 HZ1 LYS 47 1HZ LYS 47 2.681 16.300 -10.322 312 HZ2 LYS 47 2HZ LYS 47 3.928 16.922 -9.363 313 HZ3 LYS 47 3HZ LYS 47 2.556 17.860 -9.679 314 H VAL 48 H VAL 48 3.752 11.872 -5.834 315 HA VAL 48 HA VAL 48 4.643 9.895 -7.537 316 HB VAL 48 HB VAL 48 5.460 10.313 -4.658 317 HG11 VAL 48 1HG1 VAL 48 6.153 8.239 -6.400 318 HG12 VAL 48 2HG1 VAL 48 7.531 9.342 -6.403 319 HG13 VAL 48 3HG1 VAL 48 6.939 8.671 -4.882 320 HG21 VAL 48 1HG2 VAL 48 7.247 11.263 -6.748 321 HG22 VAL 48 2HG2 VAL 48 5.676 12.064 -6.775 322 HG23 VAL 48 3HG2 VAL 48 6.652 12.088 -5.307 323 H PHE 49 H PHE 49 3.026 9.528 -4.406 324 HA PHE 49 HA PHE 49 3.172 6.671 -4.429 325 HB2 PHE 49 1HB PHE 49 2.981 7.433 -2.266 326 HB3 PHE 49 2HB PHE 49 1.882 8.735 -2.708 327 HD1 PHE 49 1HD PHE 49 -0.510 8.166 -3.245 328 HD2 PHE 49 2HD PHE 49 2.176 5.392 -1.455 329 HE1 PHE 49 1HE PHE 49 -2.420 6.816 -2.481 330 HE2 PHE 49 2HE PHE 49 0.271 4.036 -0.689 331 HZ PHE 49 HZ PHE 49 -2.031 4.747 -1.202 332 H LEU 50 H LEU 50 0.630 9.047 -5.114 333 HA LEU 50 HA LEU 50 -1.449 7.235 -5.605 334 HB2 LEU 50 1HB LEU 50 -0.897 10.036 -6.511 335 HB3 LEU 50 2HB LEU 50 -2.311 9.161 -7.092 336 HG LEU 50 HG LEU 50 -1.752 9.616 -4.168 337 HD11 LEU 50 1HD1 LEU 50 -2.190 11.653 -5.890 338 HD12 LEU 50 2HD1 LEU 50 -2.713 11.646 -4.207 339 HD13 LEU 50 3HD1 LEU 50 -3.846 11.204 -5.483 340 HD21 LEU 50 1HD2 LEU 50 -4.303 8.952 -5.633 341 HD22 LEU 50 2HD2 LEU 50 -4.077 9.061 -3.887 342 HD23 LEU 50 3HD2 LEU 50 -3.287 7.774 -4.800 343 H PHE 51 H PHE 51 1.374 7.843 -7.370 344 HA PHE 51 HA PHE 51 0.229 6.926 -9.898 345 HB2 PHE 51 1HB PHE 51 1.725 8.812 -10.080 346 HB3 PHE 51 2HB PHE 51 2.980 7.959 -9.187 347 HD1 PHE 51 1HD PHE 51 3.722 5.669 -10.262 348 HD2 PHE 51 2HD PHE 51 1.848 8.856 -12.371 349 HE1 PHE 51 1HE PHE 51 4.642 4.807 -12.375 350 HE2 PHE 51 2HE PHE 51 2.764 7.999 -14.487 351 HZ PHE 51 HZ PHE 51 4.162 5.972 -14.492 352 H ILE 52 H ILE 52 2.530 5.954 -7.416 353 HA ILE 52 HA ILE 52 3.566 3.679 -8.696 354 HB ILE 52 HB ILE 52 3.232 4.259 -5.753 355 HG12 ILE 52 1HG1 ILE 52 5.816 4.270 -7.274 356 HG13 ILE 52 2HG1 ILE 52 4.751 5.669 -7.356 357 HG21 ILE 52 1HG2 ILE 52 4.104 1.853 -7.135 358 HG22 ILE 52 2HG2 ILE 52 5.313 2.475 -6.013 359 HG23 ILE 52 3HG2 ILE 52 3.689 2.098 -5.438 360 HD11 ILE 52 1HD1 ILE 52 5.182 6.287 -5.228 361 HD12 ILE 52 2HD1 ILE 52 5.377 4.627 -4.665 362 HD13 ILE 52 3HD1 ILE 52 6.683 5.419 -5.548 363 H ARG 53 H ARG 53 0.697 4.146 -6.700 364 HA ARG 53 HA ARG 53 0.033 1.398 -6.463 365 HB2 ARG 53 1HB ARG 53 -0.907 2.928 -4.887 366 HB3 ARG 53 2HB ARG 53 -1.596 3.919 -6.166 367 HG2 ARG 53 1HG ARG 53 -2.878 1.691 -6.738 368 HG3 ARG 53 2HG ARG 53 -2.544 1.341 -5.041 369 HD2 ARG 53 1HD ARG 53 -4.634 2.395 -5.022 370 HD3 ARG 53 2HD ARG 53 -3.497 3.660 -4.559 371 HE ARG 53 HE ARG 53 -4.121 3.527 -7.381 372 HH11 ARG 53 2HH1 ARG 53 -4.883 4.931 -4.288 373 HH12 ARG 53 1HH1 ARG 53 -5.666 6.321 -4.965 374 HH21 ARG 53 2HH2 ARG 53 -5.148 5.352 -8.285 375 HH22 ARG 53 1HH2 ARG 53 -5.817 6.559 -7.238 376 H ASN 54 H ASN 54 -1.452 3.967 -8.450 377 HA ASN 54 HA ASN 54 -3.186 2.427 -9.924 378 HB2 ASN 54 1HB ASN 54 -1.667 4.935 -10.571 379 HB3 ASN 54 2HB ASN 54 -2.693 4.182 -11.788 380 HD21 ASN 54 1HD2 ASN 54 -2.955 6.762 -10.473 381 HD22 ASN 54 2HD2 ASN 54 -4.505 6.757 -9.709 382 H ARG 55 H ARG 55 0.213 3.148 -10.678 383 HA ARG 55 HA ARG 55 0.362 1.760 -13.097 384 HB2 ARG 55 1HB ARG 55 2.101 3.308 -12.328 385 HB3 ARG 55 2HB ARG 55 2.530 2.195 -11.035 386 HG2 ARG 55 1HG ARG 55 4.148 1.810 -12.650 387 HG3 ARG 55 2HG ARG 55 2.987 0.507 -12.914 388 HD2 ARG 55 1HD ARG 55 1.921 2.211 -14.592 389 HD3 ARG 55 2HD ARG 55 3.526 2.940 -14.558 390 HE ARG 55 HE ARG 55 3.469 0.091 -15.062 391 HH11 ARG 55 2HH1 ARG 55 3.503 3.294 -16.424 392 HH12 ARG 55 1HH1 ARG 55 4.118 2.776 -17.959 393 HH21 ARG 55 2HH2 ARG 55 4.278 -0.604 -17.078 394 HH22 ARG 55 1HH2 ARG 55 4.557 0.559 -18.330 395 H THR 56 H THR 56 0.997 0.657 -9.785 396 HA THR 56 HA THR 56 1.902 -1.906 -10.327 397 HB THR 56 HB THR 56 0.170 -1.045 -8.000 398 HG1 THR 56 1HG THR 56 2.629 -0.329 -8.676 399 HG21 THR 56 1HG2 THR 56 0.575 -3.576 -8.561 400 HG22 THR 56 2HG2 THR 56 0.735 -2.994 -6.903 401 HG23 THR 56 3HG2 THR 56 2.174 -3.257 -7.888 402 H LEU 57 H LEU 57 -1.413 -0.705 -10.087 403 HA LEU 57 HA LEU 57 -2.669 -3.239 -10.293 404 HB2 LEU 57 1HB LEU 57 -3.596 -0.421 -10.743 405 HB3 LEU 57 2HB LEU 57 -4.655 -1.797 -11.041 406 HG LEU 57 HG LEU 57 -3.364 -1.215 -8.379 407 HD11 LEU 57 1HD1 LEU 57 -5.084 0.485 -9.363 408 HD12 LEU 57 2HD1 LEU 57 -5.229 -0.063 -7.693 409 HD13 LEU 57 3HD1 LEU 57 -6.258 -0.763 -8.943 410 HD21 LEU 57 1HD2 LEU 57 -4.042 -3.567 -8.876 411 HD22 LEU 57 2HD2 LEU 57 -5.698 -2.992 -9.070 412 HD23 LEU 57 3HD2 LEU 57 -4.888 -2.838 -7.511 413 H GLN 58 H GLN 58 -1.605 -0.856 -12.648 414 HA GLN 58 HA GLN 58 -2.907 -1.815 -14.915 415 HB2 GLN 58 1HB GLN 58 -0.376 -0.296 -14.449 416 HB3 GLN 58 2HB GLN 58 -0.710 -0.911 -16.063 417 HG2 GLN 58 1HG GLN 58 -2.696 0.751 -14.551 418 HG3 GLN 58 2HG GLN 58 -1.426 1.469 -15.540 419 HE21 GLN 58 1HE2 GLN 58 -1.289 0.306 -17.782 420 HE22 GLN 58 2HE2 GLN 58 -2.800 0.162 -18.605 421 H LEU 59 H LEU 59 0.431 -2.543 -13.879 422 HA LEU 59 HA LEU 59 0.954 -4.504 -15.789 423 HB2 LEU 59 1HB LEU 59 2.041 -4.485 -12.983 424 HB3 LEU 59 2HB LEU 59 2.792 -5.174 -14.421 425 HG LEU 59 HG LEU 59 2.290 -2.222 -14.126 426 HD11 LEU 59 1HD1 LEU 59 4.107 -3.812 -12.621 427 HD12 LEU 59 2HD1 LEU 59 3.914 -2.060 -12.629 428 HD13 LEU 59 3HD1 LEU 59 5.027 -2.829 -13.761 429 HD21 LEU 59 1HD2 LEU 59 3.417 -1.991 -16.057 430 HD22 LEU 59 2HD2 LEU 59 2.956 -3.674 -16.311 431 HD23 LEU 59 3HD2 LEU 59 4.554 -3.283 -15.672 432 H TRP 60 H TRP 60 -0.635 -4.722 -12.662 433 HA TRP 60 HA TRP 60 -0.703 -7.560 -12.540 434 HB2 TRP 60 1HB TRP 60 -1.070 -6.679 -10.455 435 HB3 TRP 60 2HB TRP 60 -2.004 -5.320 -11.075 436 HD1 TRP 60 HD TRP 60 -4.585 -5.515 -10.971 437 HE1 TRP 60 1HE TRP 60 -6.232 -7.350 -10.232 438 HE3 TRP 60 3HE TRP 60 -1.295 -9.391 -10.437 439 HZ2 TRP 60 2HZ TRP 60 -6.147 -10.079 -9.517 440 HZ3 TRP 60 3HZ TRP 60 -2.159 -11.581 -9.721 441 HH2 TRP 60 HH TRP 60 -4.535 -11.916 -9.271 442 H LEU 61 H LEU 61 -2.951 -5.112 -13.740 443 HA LEU 61 HA LEU 61 -5.057 -6.929 -14.326 444 HB2 LEU 61 1HB LEU 61 -4.432 -4.097 -14.954 445 HB3 LEU 61 2HB LEU 61 -5.623 -4.913 -15.964 446 HG LEU 61 HG LEU 61 -5.797 -4.601 -12.967 447 HD11 LEU 61 1HD1 LEU 61 -6.663 -2.920 -15.216 448 HD12 LEU 61 2HD1 LEU 61 -6.364 -2.501 -13.530 449 HD13 LEU 61 3HD1 LEU 61 -7.896 -3.241 -13.996 450 HD21 LEU 61 1HD2 LEU 61 -7.285 -6.246 -13.087 451 HD22 LEU 61 2HD2 LEU 61 -7.169 -6.302 -14.846 452 HD23 LEU 61 3HD2 LEU 61 -8.292 -5.184 -14.071 453 H ASP 62 H ASP 62 -2.123 -6.121 -15.903 454 HA ASP 62 HA ASP 62 -3.012 -7.059 -18.507 455 HB2 ASP 62 1HB ASP 62 -1.386 -5.135 -18.177 456 HB3 ASP 62 2HB ASP 62 -0.196 -6.339 -17.693 457 H ASN 63 H ASN 63 -1.013 -8.129 -15.819 458 HA ASN 63 HA ASN 63 -0.929 -10.803 -17.040 459 HB2 ASN 63 1HB ASN 63 1.287 -9.351 -16.984 460 HB3 ASN 63 2HB ASN 63 1.344 -9.917 -15.317 461 HD21 ASN 63 1HD2 ASN 63 3.238 -11.074 -15.794 462 HD22 ASN 63 2HD2 ASN 63 3.183 -12.571 -16.655 463 HA PRO 64 HA PRO 64 -2.506 -10.637 -12.573 464 HB2 PRO 64 1HB PRO 64 -5.076 -11.343 -13.090 465 HB3 PRO 64 2HB PRO 64 -4.529 -9.662 -13.056 466 HG2 PRO 64 1HG PRO 64 -4.982 -11.459 -15.407 467 HG3 PRO 64 2HG PRO 64 -5.423 -9.754 -15.201 468 HD2 PRO 64 1HD PRO 64 -3.242 -10.535 -16.603 469 HD3 PRO 64 2HD PRO 64 -3.296 -9.014 -15.689 470 H LYS 65 H LYS 65 -2.060 -12.769 -15.101 471 HA LYS 65 HA LYS 65 -3.205 -15.129 -13.958 472 HB2 LYS 65 1HB LYS 65 -1.778 -16.293 -15.687 473 HB3 LYS 65 2HB LYS 65 -2.922 -15.116 -16.319 474 HG2 LYS 65 1HG LYS 65 -1.297 -13.702 -17.021 475 HG3 LYS 65 2HG LYS 65 -0.191 -14.148 -15.720 476 HD2 LYS 65 1HD LYS 65 0.881 -15.145 -17.469 477 HD3 LYS 65 2HD LYS 65 -0.200 -16.464 -17.014 478 HE2 LYS 65 1HE LYS 65 -1.810 -15.680 -18.718 479 HE3 LYS 65 2HE LYS 65 -0.656 -14.438 -19.203 480 HZ1 LYS 65 1HZ LYS 65 -0.013 -17.330 -19.242 481 HZ2 LYS 65 2HZ LYS 65 0.851 -16.067 -19.961 482 HZ3 LYS 65 3HZ LYS 65 -0.659 -16.517 -20.577 483 H ILE 66 H ILE 66 -0.351 -13.347 -13.407 484 HA ILE 66 HA ILE 66 0.700 -15.545 -11.756 485 HB ILE 66 HB ILE 66 2.954 -15.012 -12.305 486 HG12 ILE 66 1HG1 ILE 66 1.972 -12.815 -14.129 487 HG13 ILE 66 2HG1 ILE 66 2.504 -12.520 -12.477 488 HG21 ILE 66 1HG2 ILE 66 2.004 -16.501 -13.884 489 HG22 ILE 66 2HG2 ILE 66 1.197 -15.189 -14.740 490 HG23 ILE 66 3HG2 ILE 66 2.953 -15.335 -14.806 491 HD11 ILE 66 1HD1 ILE 66 4.692 -12.858 -12.979 492 HD12 ILE 66 2HD1 ILE 66 4.336 -13.995 -14.280 493 HD13 ILE 66 3HD1 ILE 66 4.124 -12.264 -14.540 494 H GLN 67 H GLN 67 1.917 -14.886 -9.895 495 HA GLN 67 HA GLN 67 0.766 -12.687 -8.533 496 HB2 GLN 67 1HB GLN 67 2.133 -13.301 -6.686 497 HB3 GLN 67 2HB GLN 67 1.663 -14.797 -7.481 498 HG2 GLN 67 1HG GLN 67 4.321 -13.403 -7.643 499 HG3 GLN 67 2HG GLN 67 3.963 -14.949 -6.876 500 HE21 GLN 67 1HE2 GLN 67 5.132 -13.479 -9.607 501 HE22 GLN 67 2HE2 GLN 67 5.015 -14.806 -10.707 502 H LEU 68 H LEU 68 1.423 -10.634 -8.278 503 HA LEU 68 HA LEU 68 3.708 -9.742 -9.843 504 HB2 LEU 68 1HB LEU 68 1.491 -8.605 -9.954 505 HB3 LEU 68 2HB LEU 68 1.720 -8.102 -8.281 506 HG LEU 68 HG LEU 68 3.742 -6.839 -9.003 507 HD11 LEU 68 1HD1 LEU 68 2.825 -7.788 -11.699 508 HD12 LEU 68 2HD1 LEU 68 4.429 -7.902 -10.976 509 HD13 LEU 68 3HD1 LEU 68 3.807 -6.336 -11.497 510 HD21 LEU 68 1HD2 LEU 68 0.995 -6.223 -9.406 511 HD22 LEU 68 2HD2 LEU 68 1.931 -5.481 -10.704 512 HD23 LEU 68 3HD2 LEU 68 2.326 -5.133 -9.020 513 H THR 69 H THR 69 5.559 -10.169 -8.750 514 HA THR 69 HA THR 69 5.868 -9.894 -5.945 515 HB THR 69 HB THR 69 8.243 -10.214 -6.317 516 HG1 THR 69 1HG THR 69 9.150 -9.622 -8.136 517 HG21 THR 69 1HG2 THR 69 8.202 -12.341 -7.429 518 HG22 THR 69 2HG2 THR 69 6.727 -11.914 -8.297 519 HG23 THR 69 3HG2 THR 69 6.685 -12.155 -6.550 520 H PHE 70 H PHE 70 7.357 -8.396 -4.870 521 HA PHE 70 HA PHE 70 6.697 -5.709 -5.399 522 HB2 PHE 70 1HB PHE 70 7.193 -6.091 -3.166 523 HB3 PHE 70 2HB PHE 70 8.595 -7.087 -3.541 524 HD1 PHE 70 1HD PHE 70 10.744 -6.086 -4.021 525 HD2 PHE 70 2HD PHE 70 7.354 -3.684 -3.096 526 HE1 PHE 70 1HE PHE 70 12.220 -4.153 -3.645 527 HE2 PHE 70 2HE PHE 70 8.824 -1.748 -2.720 528 HZ PHE 70 HZ PHE 70 11.261 -1.980 -2.995 529 H GLU 71 H GLU 71 9.627 -7.595 -6.023 530 HA GLU 71 HA GLU 71 11.276 -5.542 -6.927 531 HB2 GLU 71 1HB GLU 71 11.144 -8.483 -7.486 532 HB3 GLU 71 2HB GLU 71 12.272 -7.476 -8.382 533 HG2 GLU 71 1HG GLU 71 13.523 -8.298 -6.606 534 HG3 GLU 71 2HG GLU 71 13.088 -6.665 -6.106 535 H ALA 72 H ALA 72 9.382 -7.797 -8.944 536 HA ALA 72 HA ALA 72 9.800 -6.728 -11.413 537 HB1 ALA 72 1HB ALA 72 6.989 -7.373 -11.053 538 HB2 ALA 72 2HB ALA 72 8.211 -8.154 -12.057 539 HB3 ALA 72 3HB ALA 72 8.061 -8.586 -10.353 540 H THR 73 H THR 73 7.097 -5.788 -9.278 541 HA THR 73 HA THR 73 6.026 -3.755 -10.783 542 HB THR 73 HB THR 73 6.302 -3.739 -7.771 543 HG1 THR 73 1HG THR 73 5.303 -5.652 -8.614 544 HG21 THR 73 1HG2 THR 73 5.067 -1.884 -7.771 545 HG22 THR 73 2HG2 THR 73 3.853 -2.646 -8.800 546 HG23 THR 73 3HG2 THR 73 5.231 -1.818 -9.525 547 H LEU 74 H LEU 74 8.757 -3.579 -8.535 548 HA LEU 74 HA LEU 74 9.144 -0.790 -8.702 549 HB2 LEU 74 1HB LEU 74 10.167 -1.872 -6.898 550 HB3 LEU 74 2HB LEU 74 10.905 -3.091 -7.934 551 HG LEU 74 HG LEU 74 12.184 -0.946 -8.867 552 HD11 LEU 74 1HD1 LEU 74 10.779 0.161 -6.754 553 HD12 LEU 74 2HD1 LEU 74 12.170 0.865 -7.577 554 HD13 LEU 74 3HD1 LEU 74 12.403 -0.086 -6.111 555 HD21 LEU 74 1HD2 LEU 74 12.718 -2.929 -6.774 556 HD22 LEU 74 2HD2 LEU 74 13.753 -1.502 -6.716 557 HD23 LEU 74 3HD2 LEU 74 13.675 -2.477 -8.185 558 H GLN 75 H GLN 75 10.916 -3.443 -10.301 559 HA GLN 75 HA GLN 75 12.605 -1.958 -11.881 560 HB2 GLN 75 1HB GLN 75 11.227 -4.568 -12.521 561 HB3 GLN 75 2HB GLN 75 12.546 -3.897 -13.470 562 HG2 GLN 75 1HG GLN 75 12.916 -4.300 -10.543 563 HG3 GLN 75 2HG GLN 75 13.000 -5.686 -11.629 564 HE21 GLN 75 1HE2 GLN 75 14.570 -2.870 -10.475 565 HE22 GLN 75 2HE2 GLN 75 16.033 -3.042 -11.377 566 H GLN 76 H GLN 76 9.356 -3.117 -12.773 567 HA GLN 76 HA GLN 76 9.264 -1.880 -15.289 568 HB2 GLN 76 1HB GLN 76 6.990 -2.594 -13.430 569 HB3 GLN 76 2HB GLN 76 6.815 -2.186 -15.131 570 HG2 GLN 76 1HG GLN 76 7.777 -4.163 -15.842 571 HG3 GLN 76 2HG GLN 76 8.597 -4.434 -14.305 572 HE21 GLN 76 1HE2 GLN 76 6.942 -4.570 -12.415 573 HE22 GLN 76 2HE2 GLN 76 5.617 -5.644 -12.691 574 H LEU 77 H LEU 77 8.466 -0.710 -12.076 575 HA LEU 77 HA LEU 77 7.091 1.622 -12.786 576 HB2 LEU 77 1HB LEU 77 8.538 0.641 -10.407 577 HB3 LEU 77 2HB LEU 77 8.314 2.386 -10.516 578 HG LEU 77 HG LEU 77 5.959 0.579 -10.852 579 HD11 LEU 77 1HD1 LEU 77 5.837 1.228 -8.221 580 HD12 LEU 77 2HD1 LEU 77 7.560 0.908 -8.416 581 HD13 LEU 77 3HD1 LEU 77 6.379 -0.330 -8.845 582 HD21 LEU 77 1HD2 LEU 77 6.478 3.394 -10.564 583 HD22 LEU 77 2HD2 LEU 77 5.394 2.829 -9.293 584 HD23 LEU 77 3HD2 LEU 77 4.979 2.567 -10.987 585 H GLU 78 H GLU 78 7.833 3.845 -12.704 586 HA GLU 78 HA GLU 78 10.646 4.148 -13.528 587 HB2 GLU 78 1HB GLU 78 9.931 5.932 -15.065 588 HB3 GLU 78 2HB GLU 78 9.205 4.384 -15.474 589 HG2 GLU 78 1HG GLU 78 7.124 5.066 -14.407 590 HG3 GLU 78 2HG GLU 78 7.850 6.612 -13.970 591 H ALA 79 H ALA 79 11.770 5.417 -12.223 592 HA ALA 79 HA ALA 79 10.865 6.684 -9.973 593 HB1 ALA 79 1HB ALA 79 13.050 8.188 -11.108 594 HB2 ALA 79 2HB ALA 79 13.022 7.140 -9.690 595 HB3 ALA 79 3HB ALA 79 13.308 6.452 -11.288 596 HA PRO 80 HA PRO 80 12.039 8.742 -9.000 597 HB2 PRO 80 1HB PRO 80 10.612 10.328 -7.322 598 HB3 PRO 80 2HB PRO 80 11.811 10.962 -8.456 599 HG2 PRO 80 1HG PRO 80 8.830 10.853 -8.714 600 HG3 PRO 80 2HG PRO 80 9.941 12.174 -9.122 601 HD2 PRO 80 1HD PRO 80 8.918 10.501 -10.990 602 HD3 PRO 80 2HD PRO 80 10.534 11.221 -11.135 603 H TYR 81 H TYR 81 8.888 7.873 -9.754 604 HA TYR 81 HA TYR 81 7.698 7.069 -7.414 605 HB2 TYR 81 1HB TYR 81 7.678 5.366 -9.903 606 HB3 TYR 81 2HB TYR 81 6.406 5.541 -8.700 607 HD1 TYR 81 1HD TYR 81 6.338 8.505 -8.431 608 HD2 TYR 81 2HD TYR 81 6.629 6.037 -11.885 609 HE1 TYR 81 1HE TYR 81 5.302 10.282 -9.781 610 HE2 TYR 81 2HE TYR 81 5.595 7.808 -13.244 611 HH TYR 81 HH TYR 81 5.304 10.256 -13.166 612 H ASN 82 H ASN 82 9.690 4.940 -9.476 613 HA ASN 82 HA ASN 82 9.893 2.878 -7.566 614 HB2 ASN 82 1HB ASN 82 11.262 1.794 -9.087 615 HB3 ASN 82 2HB ASN 82 10.382 2.894 -10.144 616 HD21 ASN 82 1HD2 ASN 82 11.655 3.710 -11.626 617 HD22 ASN 82 2HD2 ASN 82 13.294 4.211 -11.404 618 H SER 83 H SER 83 11.720 5.792 -8.091 619 HA SER 83 HA SER 83 14.139 5.374 -6.966 620 HB2 SER 83 1HB SER 83 13.080 7.585 -7.747 621 HB3 SER 83 2HB SER 83 12.485 7.739 -6.094 622 HG SER 83 HG SER 83 14.880 7.259 -5.627 623 H ASP 84 H ASP 84 11.204 6.130 -5.091 624 HA ASP 84 HA ASP 84 12.548 5.426 -2.617 625 HB2 ASP 84 1HB ASP 84 9.639 6.154 -2.972 626 HB3 ASP 84 2HB ASP 84 10.601 6.243 -1.499 627 H THR 85 H THR 85 12.927 3.217 -2.831 628 HA THR 85 HA THR 85 11.083 1.285 -3.637 629 HB THR 85 HB THR 85 12.477 -0.312 -2.249 630 HG1 THR 85 1HG THR 85 14.479 0.691 -1.479 631 HG21 THR 85 1HG2 THR 85 14.589 0.967 -3.703 632 HG22 THR 85 2HG2 THR 85 13.088 1.083 -4.622 633 HG23 THR 85 3HG2 THR 85 13.689 -0.493 -4.109 634 H VAL 86 H VAL 86 11.792 2.539 -0.393 635 HA VAL 86 HA VAL 86 10.280 0.904 1.186 636 HB VAL 86 HB VAL 86 11.661 2.960 1.861 637 HG11 VAL 86 1HG1 VAL 86 10.279 4.984 2.312 638 HG12 VAL 86 2HG1 VAL 86 10.533 4.654 0.597 639 HG13 VAL 86 3HG1 VAL 86 8.989 4.258 1.353 640 HG21 VAL 86 1HG2 VAL 86 10.363 3.241 3.949 641 HG22 VAL 86 2HG2 VAL 86 9.029 2.357 3.207 642 HG23 VAL 86 3HG2 VAL 86 10.571 1.551 3.491 643 H LEU 87 H LEU 87 9.141 3.548 -0.853 644 HA LEU 87 HA LEU 87 6.443 3.455 0.050 645 HB2 LEU 87 1HB LEU 87 7.722 5.326 -1.208 646 HB3 LEU 87 2HB LEU 87 7.256 4.439 -2.658 647 HG LEU 87 HG LEU 87 4.909 4.766 -2.138 648 HD11 LEU 87 1HD1 LEU 87 5.964 6.090 0.348 649 HD12 LEU 87 2HD1 LEU 87 4.868 4.714 0.229 650 HD13 LEU 87 3HD1 LEU 87 4.320 6.320 -0.249 651 HD21 LEU 87 1HD2 LEU 87 6.764 6.816 -2.778 652 HD22 LEU 87 2HD2 LEU 87 5.497 7.519 -1.773 653 HD23 LEU 87 3HD2 LEU 87 5.074 6.670 -3.261 654 H VAL 88 H VAL 88 8.082 2.194 -2.844 655 HA VAL 88 HA VAL 88 5.874 1.030 -4.078 656 HB VAL 88 HB VAL 88 8.730 0.045 -4.116 657 HG11 VAL 88 1HG1 VAL 88 7.216 -1.656 -4.929 658 HG12 VAL 88 2HG1 VAL 88 6.430 -0.489 -5.993 659 HG13 VAL 88 3HG1 VAL 88 8.106 -0.958 -6.282 660 HG21 VAL 88 1HG2 VAL 88 9.124 1.459 -5.938 661 HG22 VAL 88 2HG2 VAL 88 7.406 1.762 -6.192 662 HG23 VAL 88 3HG2 VAL 88 8.229 2.464 -4.799 663 H HIS 89 H HIS 89 7.753 -0.028 -1.353 664 HA HIS 89 HA HIS 89 6.772 -2.736 -1.406 665 HB2 HIS 89 1HB HIS 89 9.003 -1.905 -0.417 666 HB3 HIS 89 2HB HIS 89 8.044 -1.397 0.971 667 HD1 HIS 89 1HD HIS 89 6.448 -3.523 1.904 668 HD2 HIS 89 2HD HIS 89 9.980 -4.396 -0.103 669 HE1 HIS 89 1HE HIS 89 7.031 -5.880 2.561 670 HE2 HIS 89 2HE HIS 89 9.216 -6.355 1.402 671 H ARG 90 H ARG 90 5.979 0.258 0.255 672 HA ARG 90 HA ARG 90 4.062 -0.983 2.007 673 HB2 ARG 90 1HB ARG 90 4.624 1.919 1.374 674 HB3 ARG 90 2HB ARG 90 3.478 1.375 2.592 675 HG2 ARG 90 1HG ARG 90 5.125 0.652 4.020 676 HG3 ARG 90 2HG ARG 90 6.299 0.426 2.721 677 HD2 ARG 90 1HD ARG 90 6.865 2.651 2.660 678 HD3 ARG 90 2HD ARG 90 5.303 3.174 3.291 679 HE ARG 90 HE ARG 90 6.650 1.721 5.279 680 HH11 ARG 90 2HH1 ARG 90 6.852 4.751 3.576 681 HH12 ARG 90 1HH1 ARG 90 7.629 5.582 4.882 682 HH21 ARG 90 2HH2 ARG 90 7.673 2.805 7.005 683 HH22 ARG 90 1HH2 ARG 90 8.097 4.474 6.832 684 H VAL 91 H VAL 91 4.037 0.543 -1.122 685 HA VAL 91 HA VAL 91 1.197 0.936 -1.228 686 HB VAL 91 HB VAL 91 3.279 0.948 -3.416 687 HG11 VAL 91 1HG1 VAL 91 0.830 2.361 -4.006 688 HG12 VAL 91 2HG1 VAL 91 1.679 1.137 -4.952 689 HG13 VAL 91 3HG1 VAL 91 0.528 0.650 -3.707 690 HG21 VAL 91 1HG2 VAL 91 2.351 2.910 -1.475 691 HG22 VAL 91 2HG2 VAL 91 3.793 2.917 -2.490 692 HG23 VAL 91 3HG2 VAL 91 2.256 3.488 -3.139 693 H HIS 92 H HIS 92 3.433 -1.337 -2.822 694 HA HIS 92 HA HIS 92 1.549 -2.866 -4.168 695 HB2 HIS 92 1HB HIS 92 4.075 -2.984 -4.372 696 HB3 HIS 92 2HB HIS 92 4.062 -3.986 -2.925 697 HD1 HIS 92 1HD HIS 92 2.883 -6.344 -3.149 698 HD2 HIS 92 2HD HIS 92 3.436 -4.283 -6.714 699 HE1 HIS 92 1HE HIS 92 2.554 -8.048 -4.969 700 HE2 HIS 92 2HE HIS 92 2.978 -6.797 -7.114 701 H SER 93 H SER 93 2.445 -2.869 -0.803 702 HA SER 93 HA SER 93 1.271 -5.385 -0.151 703 HB2 SER 93 1HB SER 93 1.386 -4.424 2.228 704 HB3 SER 93 2HB SER 93 2.912 -4.612 1.364 705 HG SER 93 HG SER 93 2.380 -2.509 2.493 706 H TYR 94 H TYR 94 0.250 -2.098 0.790 707 HA TYR 94 HA TYR 94 -2.182 -2.545 1.835 708 HB2 TYR 94 1HB TYR 94 -1.704 -0.302 1.789 709 HB3 TYR 94 2HB TYR 94 -1.122 -0.349 0.128 710 HD1 TYR 94 2HD TYR 94 -2.679 -0.161 -1.741 711 HD2 TYR 94 1HD TYR 94 -4.052 0.024 2.282 712 HE1 TYR 94 2HE TYR 94 -4.824 0.753 -2.522 713 HE2 TYR 94 1HE TYR 94 -6.202 0.939 1.512 714 HH TYR 94 HH TYR 94 -7.337 0.726 -1.442 715 H LEU 95 H LEU 95 -1.384 -2.702 -1.584 716 HA LEU 95 HA LEU 95 -4.046 -2.947 -2.534 717 HB2 LEU 95 1HB LEU 95 -1.415 -3.786 -3.739 718 HB3 LEU 95 2HB LEU 95 -2.957 -3.845 -4.591 719 HG LEU 95 HG LEU 95 -1.999 -1.255 -3.445 720 HD11 LEU 95 1HD1 LEU 95 -1.031 -0.890 -5.807 721 HD12 LEU 95 2HD1 LEU 95 -0.946 -2.650 -5.875 722 HD13 LEU 95 3HD1 LEU 95 -0.069 -1.773 -4.622 723 HD21 LEU 95 1HD2 LEU 95 -3.136 -0.741 -5.838 724 HD22 LEU 95 2HD2 LEU 95 -4.026 -0.804 -4.317 725 HD23 LEU 95 3HD2 LEU 95 -4.000 -2.209 -5.383 726 H GLU 96 H GLU 96 -1.507 -5.454 -2.527 727 HA GLU 96 HA GLU 96 -3.096 -7.642 -2.977 728 HB2 GLU 96 1HB GLU 96 -0.757 -7.964 -3.009 729 HB3 GLU 96 2HB GLU 96 -0.566 -7.344 -1.375 730 HG2 GLU 96 1HG GLU 96 -0.402 -9.890 -1.821 731 HG3 GLU 96 2HG GLU 96 -1.264 -9.301 -0.401 732 H ARG 97 H ARG 97 -2.183 -6.328 0.205 733 HA ARG 97 HA ARG 97 -3.579 -8.136 1.789 734 HB2 ARG 97 1HB ARG 97 -2.654 -5.320 2.160 735 HB3 ARG 97 2HB ARG 97 -3.737 -6.015 3.358 736 HG2 ARG 97 1HG ARG 97 -1.581 -6.388 4.185 737 HG3 ARG 97 2HG ARG 97 -2.088 -7.939 3.512 738 HD2 ARG 97 1HD ARG 97 -0.692 -7.733 1.663 739 HD3 ARG 97 2HD ARG 97 -0.544 -5.986 1.850 740 HE ARG 97 HE ARG 97 1.143 -6.312 3.387 741 HH11 ARG 97 2HH1 ARG 97 -0.398 -9.343 2.643 742 HH12 ARG 97 1HH1 ARG 97 0.810 -10.301 3.433 743 HH21 ARG 97 2HH2 ARG 97 2.741 -7.562 4.430 744 HH22 ARG 97 1HH2 ARG 97 2.595 -9.287 4.450 745 H HIS 98 H HIS 98 -4.682 -5.177 0.215 746 HA HIS 98 HA HIS 98 -7.335 -5.404 1.353 747 HB2 HIS 98 1HB HIS 98 -6.114 -3.492 -0.640 748 HB3 HIS 98 2HB HIS 98 -7.807 -3.428 -0.159 749 HD1 HIS 98 1HD HIS 98 -7.743 -1.229 1.077 750 HD2 HIS 98 2HD HIS 98 -4.881 -3.924 2.423 751 HE1 HIS 98 1HE HIS 98 -6.783 -0.204 3.163 752 HE2 HIS 98 2HE HIS 98 -4.994 -1.812 3.912 753 H GLY 99 H GLY 99 -5.965 -7.316 -0.713 754 HA2 GLY 99 1HA GLY 99 -6.699 -8.694 -2.395 755 HA3 GLY 99 2HA GLY 99 -8.326 -8.224 -1.925 756 H LEU 100 H LEU 100 -5.822 -6.050 -3.111 757 HA LEU 100 HA LEU 100 -7.594 -5.337 -5.331 758 HB2 LEU 100 1HB LEU 100 -5.165 -3.925 -4.238 759 HB3 LEU 100 2HB LEU 100 -6.199 -3.330 -5.536 760 HG LEU 100 HG LEU 100 -6.683 -3.404 -2.598 761 HD11 LEU 100 1HD1 LEU 100 -5.989 -1.322 -3.488 762 HD12 LEU 100 2HD1 LEU 100 -7.721 -1.189 -3.187 763 HD13 LEU 100 3HD1 LEU 100 -7.128 -1.436 -4.830 764 HD21 LEU 100 1HD2 LEU 100 -9.143 -2.899 -3.274 765 HD22 LEU 100 2HD2 LEU 100 -8.602 -4.572 -3.129 766 HD23 LEU 100 3HD2 LEU 100 -8.743 -3.825 -4.721 767 H ILE 101 H ILE 101 -4.840 -7.157 -4.698 768 HA ILE 101 HA ILE 101 -4.373 -7.552 -7.526 769 HB ILE 101 HB ILE 101 -1.948 -7.176 -7.396 770 HG12 ILE 101 1HG1 ILE 101 -2.458 -5.825 -4.745 771 HG13 ILE 101 2HG1 ILE 101 -1.874 -7.480 -4.873 772 HG21 ILE 101 1HG2 ILE 101 -3.362 -4.667 -6.535 773 HG22 ILE 101 2HG2 ILE 101 -2.012 -4.836 -7.657 774 HG23 ILE 101 3HG2 ILE 101 -3.617 -5.405 -8.117 775 HD11 ILE 101 1HD1 ILE 101 -0.385 -5.091 -4.900 776 HD12 ILE 101 2HD1 ILE 101 0.197 -6.747 -5.076 777 HD13 ILE 101 3HD1 ILE 101 -0.248 -5.812 -6.504 778 H ASN 102 H ASN 102 -2.655 -9.276 -7.863 779 HA ASN 102 HA ASN 102 -2.288 -11.530 -7.600 780 HB2 ASN 102 1HB ASN 102 -1.326 -10.487 -4.926 781 HB3 ASN 102 2HB ASN 102 -0.860 -12.020 -5.657 782 HD21 ASN 102 1HD2 ASN 102 1.310 -11.178 -5.406 783 HD22 ASN 102 2HD2 ASN 102 1.952 -10.127 -6.617 784 H PHE 103 H PHE 103 -4.883 -11.337 -7.323 785 HA PHE 103 HA PHE 103 -5.504 -12.971 -4.954 786 HB2 PHE 103 1HB PHE 103 -7.797 -11.925 -5.013 787 HB3 PHE 103 2HB PHE 103 -6.498 -10.837 -4.536 788 HD1 PHE 103 1HD PHE 103 -8.093 -11.966 -7.720 789 HD2 PHE 103 2HD PHE 103 -6.643 -8.719 -5.381 790 HE1 PHE 103 1HE PHE 103 -8.768 -10.394 -9.489 791 HE2 PHE 103 2HE PHE 103 -7.317 -7.142 -7.145 792 HZ PHE 103 HZ PHE 103 -8.382 -7.979 -9.202 793 H GLY 104 H GLY 104 -4.860 -13.534 -7.863 794 HA2 GLY 104 1HA GLY 104 -6.959 -15.504 -8.229 795 HA3 GLY 104 2HA GLY 104 -6.860 -14.282 -9.488 796 H ILE 105 H ILE 105 -4.114 -15.623 -7.744 797 HA ILE 105 HA ILE 105 -3.331 -17.093 -10.167 798 HB ILE 105 HB ILE 105 -1.039 -16.354 -9.964 799 HG12 ILE 105 1HG1 ILE 105 -1.027 -16.071 -7.500 800 HG13 ILE 105 2HG1 ILE 105 -0.340 -14.685 -8.340 801 HG21 ILE 105 1HG2 ILE 105 -3.134 -14.814 -10.849 802 HG22 ILE 105 2HG2 ILE 105 -2.232 -13.701 -9.822 803 HG23 ILE 105 3HG2 ILE 105 -1.426 -14.511 -11.165 804 HD11 ILE 105 1HD1 ILE 105 -2.571 -14.817 -6.530 805 HD12 ILE 105 2HD1 ILE 105 -1.692 -13.414 -7.138 806 HD13 ILE 105 3HD1 ILE 105 -3.037 -14.082 -8.063 807 H TYR 106 H TYR 106 -2.998 -16.659 -6.691 808 HA TYR 106 HA TYR 106 -2.192 -19.483 -6.490 809 HB2 TYR 106 1HB TYR 106 -0.813 -18.868 -4.513 810 HB3 TYR 106 2HB TYR 106 -0.229 -18.153 -6.011 811 HD1 TYR 106 1HD TYR 106 -2.493 -17.328 -3.153 812 HD2 TYR 106 2HD TYR 106 0.337 -15.914 -5.998 813 HE1 TYR 106 1HE TYR 106 -2.566 -15.102 -2.109 814 HE2 TYR 106 2HE TYR 106 0.272 -13.684 -4.962 815 HH TYR 106 HH TYR 106 -2.052 -12.871 -2.495 816 H LYS 107 H LYS 107 -3.079 -20.660 -4.818 817 HA LYS 107 HA LYS 107 -5.546 -19.640 -3.746 818 HB2 LYS 107 1HB LYS 107 -4.146 -22.275 -3.764 819 HB3 LYS 107 2HB LYS 107 -5.383 -21.998 -2.544 820 HG2 LYS 107 1HG LYS 107 -5.826 -21.651 -5.500 821 HG3 LYS 107 2HG LYS 107 -6.197 -23.126 -4.604 822 HD2 LYS 107 1HD LYS 107 -7.737 -21.861 -3.175 823 HD3 LYS 107 2HD LYS 107 -7.369 -20.392 -4.083 824 HE2 LYS 107 1HE LYS 107 -8.172 -21.602 -6.142 825 HE3 LYS 107 2HE LYS 107 -8.748 -22.881 -5.073 826 HZ1 LYS 107 1HZ LYS 107 -9.676 -20.076 -5.230 827 HZ2 LYS 107 2HZ LYS 107 -10.023 -21.059 -3.898 828 HZ3 LYS 107 3HZ LYS 107 -10.578 -21.492 -5.437 829 H ARG 108 H ARG 108 -4.938 -17.981 -2.337 830 HA ARG 108 HA ARG 108 -3.417 -18.806 0.042 831 HB2 ARG 108 1HB ARG 108 -2.498 -16.886 -1.216 832 HB3 ARG 108 2HB ARG 108 -4.005 -16.017 -0.964 833 HG2 ARG 108 1HG ARG 108 -2.473 -15.191 0.627 834 HG3 ARG 108 2HG ARG 108 -3.592 -16.234 1.507 835 HD2 ARG 108 1HD ARG 108 -2.009 -17.836 1.896 836 HD3 ARG 108 2HD ARG 108 -1.105 -17.451 0.432 837 HE ARG 108 HE ARG 108 -0.689 -15.266 1.917 838 HH11 ARG 108 2HH1 ARG 108 -0.468 -18.654 2.685 839 HH12 ARG 108 1HH1 ARG 108 0.775 -18.437 3.873 840 HH21 ARG 108 2HH2 ARG 108 0.946 -14.967 3.479 841 HH22 ARG 108 1HH2 ARG 108 1.578 -16.339 4.324 842 H ILE 109 H ILE 109 -4.146 -18.006 2.125 843 HA ILE 109 HA ILE 109 -6.573 -18.707 2.955 844 HB ILE 109 HB ILE 109 -5.164 -16.213 3.911 845 HG12 ILE 109 1HG1 ILE 109 -5.066 -19.013 5.044 846 HG13 ILE 109 2HG1 ILE 109 -3.851 -18.364 3.949 847 HG21 ILE 109 1HG2 ILE 109 -6.398 -16.524 5.990 848 HG22 ILE 109 2HG2 ILE 109 -7.498 -16.289 4.632 849 HG23 ILE 109 3HG2 ILE 109 -7.244 -17.905 5.290 850 HD11 ILE 109 1HD1 ILE 109 -4.118 -16.482 6.002 851 HD12 ILE 109 2HD1 ILE 109 -4.087 -18.065 6.781 852 HD13 ILE 109 3HD1 ILE 109 -2.772 -17.583 5.709 853 H LYS 110 H LYS 110 -8.523 -18.331 2.145 854 HA LYS 110 HA LYS 110 -9.670 -15.745 2.109 855 HB2 LYS 110 1HB LYS 110 -8.300 -15.558 0.057 856 HB3 LYS 110 2HB LYS 110 -9.124 -16.964 -0.605 857 HG2 LYS 110 1HG LYS 110 -11.273 -15.669 -0.374 858 HG3 LYS 110 2HG LYS 110 -10.280 -14.254 -0.014 859 HD2 LYS 110 1HD LYS 110 -9.050 -14.943 -2.226 860 HD3 LYS 110 2HD LYS 110 -10.567 -15.779 -2.564 861 HE2 LYS 110 1HE LYS 110 -10.639 -12.938 -1.658 862 HE3 LYS 110 2HE LYS 110 -10.198 -13.295 -3.327 863 HZ1 LYS 110 1HZ LYS 110 -12.357 -14.784 -3.127 864 HZ2 LYS 110 2HZ LYS 110 -12.429 -13.153 -3.568 865 HZ3 LYS 110 3HZ LYS 110 -12.763 -13.613 -1.975 866 HA PRO 111 HA PRO 111 -13.208 -18.348 2.478 867 HB2 PRO 111 1HB PRO 111 -15.132 -16.467 2.120 868 HB3 PRO 111 2HB PRO 111 -14.183 -16.600 3.605 869 HG2 PRO 111 1HG PRO 111 -13.826 -14.737 1.290 870 HG3 PRO 111 2HG PRO 111 -13.724 -14.395 3.027 871 HD2 PRO 111 1HD PRO 111 -11.530 -14.745 1.479 872 HD3 PRO 111 2HD PRO 111 -11.577 -15.217 3.190 873 H LEU 112 H LEU 112 -15.368 -18.690 1.279 874 HA LEU 112 HA LEU 112 -15.500 -17.993 -1.483 875 HB2 LEU 112 1HB LEU 112 -14.918 -19.964 -2.527 876 HB3 LEU 112 2HB LEU 112 -13.693 -19.824 -1.267 877 HG LEU 112 HG LEU 112 -15.247 -21.373 0.098 878 HD11 LEU 112 1HD1 LEU 112 -16.334 -22.964 -1.734 879 HD12 LEU 112 2HD1 LEU 112 -16.484 -21.432 -2.593 880 HD13 LEU 112 3HD1 LEU 112 -17.216 -21.625 -1.000 881 HD21 LEU 112 1HD2 LEU 112 -13.014 -21.816 -1.280 882 HD22 LEU 112 2HD2 LEU 112 -14.106 -22.841 -2.211 883 HD23 LEU 112 3HD2 LEU 112 -13.903 -23.111 -0.479 884 HA PRO 113 HA PRO 113 -19.724 -18.989 -0.816 885 HB2 PRO 113 1HB PRO 113 -20.525 -19.564 -3.345 886 HB3 PRO 113 2HB PRO 113 -20.162 -17.921 -2.802 887 HG2 PRO 113 1HG PRO 113 -18.451 -19.825 -4.354 888 HG3 PRO 113 2HG PRO 113 -18.698 -18.086 -4.601 889 HD2 PRO 113 1HD PRO 113 -16.510 -19.084 -3.357 890 HD3 PRO 113 2HD PRO 113 -17.214 -17.511 -2.934 891 H THR 114 H THR 114 -19.581 -20.887 0.421 892 HA THR 114 HA THR 114 -19.593 -23.419 -1.077 893 HB THR 114 HB THR 114 -19.274 -23.153 1.909 894 HG1 THR 114 1HG THR 114 -17.103 -23.486 0.125 895 HG21 THR 114 1HG2 THR 114 -18.159 -25.317 0.164 896 HG22 THR 114 2HG2 THR 114 -19.850 -25.361 0.664 897 HG23 THR 114 3HG2 THR 114 -18.570 -25.366 1.877 898 H LYS 115 H LYS 115 -21.174 -24.992 -0.649 899 HA LYS 115 HA LYS 115 -23.785 -24.038 -0.286 900 HB2 LYS 115 1HB LYS 115 -24.392 -26.475 -0.120 901 HB3 LYS 115 2HB LYS 115 -23.458 -26.038 -1.545 902 HG2 LYS 115 1HG LYS 115 -21.507 -27.036 -0.708 903 HG3 LYS 115 2HG LYS 115 -22.161 -27.133 0.929 904 HD2 LYS 115 1HD LYS 115 -23.381 -28.606 -1.395 905 HD3 LYS 115 2HD LYS 115 -22.095 -29.297 -0.402 906 HE2 LYS 115 1HE LYS 115 -24.717 -28.278 0.682 907 HE3 LYS 115 2HE LYS 115 -24.399 -29.966 0.284 908 HZ1 LYS 115 1HZ LYS 115 -22.543 -28.592 2.085 909 HZ2 LYS 115 2HZ LYS 115 -23.006 -30.218 2.051 910 HZ3 LYS 115 3HZ LYS 115 -24.050 -29.054 2.698 911 H LYS 116 H LYS 116 -23.438 -22.824 1.733 912 HA LYS 116 HA LYS 116 -23.655 -22.514 3.980 913 HB2 LYS 116 1HB LYS 116 -25.288 -25.004 3.531 914 HB3 LYS 116 2HB LYS 116 -25.177 -24.242 5.112 915 HG2 LYS 116 1HG LYS 116 -26.372 -22.392 4.458 916 HG3 LYS 116 2HG LYS 116 -25.961 -22.597 2.754 917 HD2 LYS 116 1HD LYS 116 -27.378 -24.677 2.772 918 HD3 LYS 116 2HD LYS 116 -27.918 -24.206 4.385 919 HE2 LYS 116 1HE LYS 116 -28.143 -22.381 2.006 920 HE3 LYS 116 2HE LYS 116 -29.403 -23.538 2.432 921 HZ1 LYS 116 1HZ LYS 116 -28.414 -21.287 4.093 922 HZ2 LYS 116 2HZ LYS 116 -29.483 -22.472 4.652 923 HZ3 LYS 116 3HZ LYS 116 -29.946 -21.442 3.392 924 H THR 117 H THR 117 -21.206 -23.347 3.555 925 HA THR 117 HA THR 117 -20.280 -25.746 4.530 926 HB THR 117 HB THR 117 -18.734 -24.224 3.515 927 HG1 THR 117 1HG THR 117 -17.066 -24.491 4.939 928 HG21 THR 117 1HG2 THR 117 -20.033 -22.259 4.946 929 HG22 THR 117 2HG2 THR 117 -18.567 -22.040 3.991 930 HG23 THR 117 3HG2 THR 117 -18.453 -22.342 5.724 931 H GLY 118 H GLY 118 -19.702 -26.562 6.528 932 HA2 GLY 118 1HA GLY 118 -19.744 -25.102 8.943 933 HA3 GLY 118 2HA GLY 118 -21.293 -25.902 8.727 934 H SER 119 H SER 119 -18.390 -26.200 10.181 935 HA SER 119 HA SER 119 -17.713 -28.909 9.703 936 HB2 SER 119 1HB SER 119 -16.291 -27.036 10.787 937 HB3 SER 119 2HB SER 119 -17.117 -27.476 12.282 938 HG SER 119 HG SER 119 -15.093 -28.737 11.005 939 H GLY 120 H GLY 120 -19.428 -27.354 12.418 940 HA2 GLY 120 1HA GLY 120 -21.556 -28.789 12.878 941 HA3 GLY 120 2HA GLY 120 -20.351 -30.002 13.286 942 HA PRO 121 HA PRO 121 -19.876 -26.477 16.569 943 HB2 PRO 121 1HB PRO 121 -21.791 -24.552 16.565 944 HB3 PRO 121 2HB PRO 121 -20.295 -24.420 15.633 945 HG2 PRO 121 1HG PRO 121 -23.026 -25.244 14.725 946 HG3 PRO 121 2HG PRO 121 -21.857 -24.174 13.928 947 HD2 PRO 121 1HD PRO 121 -22.195 -26.761 13.201 948 HD3 PRO 121 2HD PRO 121 -20.628 -25.934 13.089 949 H SER 122 H SER 122 -20.522 -27.036 18.558 950 HA SER 122 HA SER 122 -23.134 -28.313 18.859 951 HB2 SER 122 1HB SER 122 -22.155 -28.987 21.124 952 HB3 SER 122 2HB SER 122 -21.384 -29.678 19.696 953 HG SER 122 HG SER 122 -20.464 -27.621 21.390 954 H SER 123 H SER 123 -21.126 -25.858 20.469 955 HA SER 123 HA SER 123 -21.695 -24.361 22.140 956 HB2 SER 123 1HB SER 123 -23.010 -22.586 21.249 957 HB3 SER 123 2HB SER 123 -22.186 -23.317 19.873 958 HG SER 123 HG SER 123 -24.106 -24.448 19.410 959 H GLY 124 H GLY 124 -22.726 -26.747 22.936 960 HA2 GLY 124 1HA GLY 124 -24.520 -26.223 24.879 961 HA3 GLY 124 2HA GLY 124 -25.556 -26.486 23.484 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.729 13.622 -1.146 2 HA2 GLY 1 1HA GLY 1 -13.732 12.496 -3.083 3 HA3 GLY 1 2HA GLY 1 -13.400 11.133 -2.023 4 H SER 2 H SER 2 -15.705 12.674 -4.053 5 HA SER 2 HA SER 2 -17.847 10.862 -3.245 6 HB2 SER 2 1HB SER 2 -17.698 13.322 -4.949 7 HB3 SER 2 2HB SER 2 -19.043 12.202 -5.167 8 HG SER 2 HG SER 2 -18.286 13.385 -2.699 9 H SER 3 H SER 3 -19.038 9.662 -4.904 10 HA SER 3 HA SER 3 -17.276 8.103 -6.499 11 HB2 SER 3 1HB SER 3 -19.273 7.118 -5.492 12 HB3 SER 3 2HB SER 3 -20.303 8.188 -6.442 13 HG SER 3 HG SER 3 -18.496 6.701 -7.903 14 H GLY 4 H GLY 4 -16.462 8.662 -8.401 15 HA2 GLY 4 1HA GLY 4 -18.172 10.189 -10.258 16 HA3 GLY 4 2HA GLY 4 -16.497 10.649 -9.991 17 H SER 5 H SER 5 -15.990 10.362 -12.182 18 HA SER 5 HA SER 5 -15.078 7.765 -12.862 19 HB2 SER 5 1HB SER 5 -16.524 7.151 -14.625 20 HB3 SER 5 2HB SER 5 -17.604 7.654 -13.325 21 HG SER 5 HG SER 5 -17.102 8.835 -15.780 22 H SER 6 H SER 6 -14.163 7.722 -15.118 23 HA SER 6 HA SER 6 -13.300 10.426 -15.917 24 HB2 SER 6 1HB SER 6 -11.530 9.014 -14.789 25 HB3 SER 6 2HB SER 6 -11.633 7.915 -16.165 26 HG SER 6 HG SER 6 -11.106 10.685 -16.434 27 H GLY 7 H GLY 7 -13.833 7.096 -17.031 28 HA2 GLY 7 1HA GLY 7 -15.392 7.358 -19.138 29 HA3 GLY 7 2HA GLY 7 -13.908 8.023 -19.805 30 H GLU 8 H GLU 8 -14.811 5.980 -21.160 31 HA GLU 8 HA GLU 8 -13.852 3.456 -20.148 32 HB2 GLU 8 1HB GLU 8 -14.480 2.619 -22.421 33 HB3 GLU 8 2HB GLU 8 -15.794 3.395 -21.548 34 HG2 GLU 8 1HG GLU 8 -15.491 5.422 -22.847 35 HG3 GLU 8 2HG GLU 8 -14.128 4.693 -23.693 36 H GLU 9 H GLU 9 -11.672 4.701 -19.863 37 HA GLU 9 HA GLU 9 -10.058 4.295 -22.295 38 HB2 GLU 9 1HB GLU 9 -8.449 5.909 -21.285 39 HB3 GLU 9 2HB GLU 9 -10.014 6.614 -21.665 40 HG2 GLU 9 1HG GLU 9 -9.589 5.562 -18.924 41 HG3 GLU 9 2HG GLU 9 -8.792 7.069 -19.373 42 HA PRO 10 HA PRO 10 -8.749 1.101 -19.197 43 HB2 PRO 10 1HB PRO 10 -8.588 -0.918 -21.005 44 HB3 PRO 10 2HB PRO 10 -10.088 -0.489 -20.175 45 HG2 PRO 10 1HG PRO 10 -9.172 0.243 -22.929 46 HG3 PRO 10 2HG PRO 10 -10.776 -0.283 -22.387 47 HD2 PRO 10 1HD PRO 10 -10.174 2.317 -22.842 48 HD3 PRO 10 2HD PRO 10 -11.336 1.810 -21.600 49 H SER 11 H SER 11 -7.404 2.851 -21.619 50 HA SER 11 HA SER 11 -4.949 1.307 -21.875 51 HB2 SER 11 1HB SER 11 -5.705 3.994 -23.050 52 HB3 SER 11 2HB SER 11 -4.255 3.073 -23.444 53 HG SER 11 HG SER 11 -5.569 1.457 -24.307 54 H GLY 12 H GLY 12 -5.804 4.637 -20.902 55 HA2 GLY 12 1HA GLY 12 -3.305 5.305 -19.830 56 HA3 GLY 12 2HA GLY 12 -4.828 6.066 -19.395 57 H VAL 13 H VAL 13 -2.490 5.359 -17.739 58 HA VAL 13 HA VAL 13 -2.996 3.121 -16.129 59 HB VAL 13 HB VAL 13 -1.627 5.709 -15.384 60 HG11 VAL 13 1HG1 VAL 13 -1.109 4.865 -13.373 61 HG12 VAL 13 2HG1 VAL 13 -2.478 3.786 -13.647 62 HG13 VAL 13 3HG1 VAL 13 -0.839 3.245 -14.015 63 HG21 VAL 13 1HG2 VAL 13 -0.590 4.595 -17.287 64 HG22 VAL 13 2HG2 VAL 13 0.442 4.484 -15.861 65 HG23 VAL 13 3HG2 VAL 13 -0.506 3.088 -16.374 66 H GLU 14 H GLU 14 -4.010 6.502 -15.778 67 HA GLU 14 HA GLU 14 -5.170 6.495 -13.311 68 HB2 GLU 14 1HB GLU 14 -6.317 7.766 -15.803 69 HB3 GLU 14 2HB GLU 14 -6.732 8.201 -14.151 70 HG2 GLU 14 1HG GLU 14 -4.594 9.097 -13.740 71 HG3 GLU 14 2HG GLU 14 -3.927 8.372 -15.202 72 H GLY 15 H GLY 15 -6.703 5.420 -16.338 73 HA2 GLY 15 1HA GLY 15 -9.228 4.820 -15.548 74 HA3 GLY 15 2HA GLY 15 -8.322 3.803 -16.659 75 H ALA 16 H ALA 16 -6.327 3.150 -14.565 76 HA ALA 16 HA ALA 16 -7.447 0.759 -13.640 77 HB1 ALA 16 1HB ALA 16 -5.439 0.686 -12.127 78 HB2 ALA 16 2HB ALA 16 -5.088 0.904 -13.842 79 HB3 ALA 16 3HB ALA 16 -5.012 2.282 -12.744 80 H ALA 17 H ALA 17 -6.691 3.727 -11.811 81 HA ALA 17 HA ALA 17 -7.483 3.119 -9.312 82 HB1 ALA 17 1HB ALA 17 -8.584 5.547 -9.412 83 HB2 ALA 17 2HB ALA 17 -6.838 5.290 -9.408 84 HB3 ALA 17 3HB ALA 17 -7.682 5.591 -10.927 85 H PHE 18 H PHE 18 -9.663 3.861 -12.003 86 HA PHE 18 HA PHE 18 -12.088 4.029 -10.786 87 HB2 PHE 18 1HB PHE 18 -11.916 4.250 -13.173 88 HB3 PHE 18 2HB PHE 18 -11.378 2.583 -13.342 89 HD1 PHE 18 1HD PHE 18 -13.005 0.736 -12.732 90 HD2 PHE 18 2HD PHE 18 -14.181 4.792 -13.260 91 HE1 PHE 18 1HE PHE 18 -15.335 0.015 -13.053 92 HE2 PHE 18 2HE PHE 18 -16.513 4.078 -13.580 93 HZ PHE 18 HZ PHE 18 -17.093 1.686 -13.476 94 H GLN 19 H GLN 19 -10.319 1.052 -11.522 95 HA GLN 19 HA GLN 19 -12.180 -0.853 -10.868 96 HB2 GLN 19 1HB GLN 19 -10.428 -2.363 -10.663 97 HB3 GLN 19 2HB GLN 19 -9.718 -1.095 -11.653 98 HG2 GLN 19 1HG GLN 19 -8.475 -0.238 -9.849 99 HG3 GLN 19 2HG GLN 19 -9.398 -1.170 -8.672 100 HE21 GLN 19 1HE2 GLN 19 -8.595 -3.045 -8.027 101 HE22 GLN 19 2HE2 GLN 19 -7.300 -3.902 -8.786 102 H SER 20 H SER 20 -10.223 1.105 -8.695 103 HA SER 20 HA SER 20 -11.440 -0.207 -6.376 104 HB2 SER 20 1HB SER 20 -9.153 1.765 -6.579 105 HB3 SER 20 2HB SER 20 -9.769 1.107 -5.064 106 HG SER 20 HG SER 20 -8.216 -0.087 -7.020 107 H ARG 21 H ARG 21 -12.911 1.607 -8.166 108 HA ARG 21 HA ARG 21 -14.076 3.617 -8.140 109 HB2 ARG 21 1HB ARG 21 -14.765 2.218 -5.555 110 HB3 ARG 21 2HB ARG 21 -15.663 3.598 -6.174 111 HG2 ARG 21 1HG ARG 21 -15.947 2.192 -8.307 112 HG3 ARG 21 2HG ARG 21 -15.461 0.831 -7.293 113 HD2 ARG 21 1HD ARG 21 -17.587 2.646 -6.282 114 HD3 ARG 21 2HD ARG 21 -18.000 1.529 -7.582 115 HE ARG 21 HE ARG 21 -16.843 -0.120 -5.847 116 HH11 ARG 21 2HH1 ARG 21 -19.204 2.391 -5.355 117 HH12 ARG 21 1HH1 ARG 21 -19.943 1.610 -3.996 118 HH21 ARG 21 2HH2 ARG 21 -17.807 -1.158 -4.059 119 HH22 ARG 21 1HH2 ARG 21 -19.147 -0.408 -3.260 120 H LEU 22 H LEU 22 -11.488 4.239 -7.443 121 HA LEU 22 HA LEU 22 -11.924 6.350 -5.447 122 HB2 LEU 22 1HB LEU 22 -9.700 6.014 -4.547 123 HB3 LEU 22 2HB LEU 22 -10.667 4.549 -4.385 124 HG LEU 22 HG LEU 22 -9.471 3.736 -6.493 125 HD11 LEU 22 1HD1 LEU 22 -8.111 5.161 -7.510 126 HD12 LEU 22 2HD1 LEU 22 -7.053 5.094 -6.101 127 HD13 LEU 22 3HD1 LEU 22 -8.297 6.340 -6.211 128 HD21 LEU 22 1HD2 LEU 22 -7.579 2.922 -5.211 129 HD22 LEU 22 2HD2 LEU 22 -9.045 2.877 -4.231 130 HD23 LEU 22 3HD2 LEU 22 -7.855 4.155 -3.980 131 HA PRO 23 HA PRO 23 -10.213 9.079 -8.432 132 HB2 PRO 23 1HB PRO 23 -9.089 10.954 -6.822 133 HB3 PRO 23 2HB PRO 23 -10.836 10.794 -7.036 134 HG2 PRO 23 1HG PRO 23 -9.101 9.791 -4.813 135 HG3 PRO 23 2HG PRO 23 -10.689 10.574 -4.726 136 HD2 PRO 23 1HD PRO 23 -10.374 7.893 -4.512 137 HD3 PRO 23 2HD PRO 23 -11.816 8.630 -5.238 138 H HIS 24 H HIS 24 -8.392 9.213 -9.615 139 HA HIS 24 HA HIS 24 -5.977 7.979 -8.555 140 HB2 HIS 24 1HB HIS 24 -5.220 8.369 -11.010 141 HB3 HIS 24 2HB HIS 24 -6.434 7.137 -10.680 142 HD1 HIS 24 1HD HIS 24 -8.319 7.212 -12.262 143 HD2 HIS 24 2HD HIS 24 -6.649 10.973 -11.690 144 HE1 HIS 24 1HE HIS 24 -9.617 8.758 -13.761 145 HE2 HIS 24 2HE HIS 24 -8.533 11.012 -13.462 146 H ASP 25 H ASP 25 -7.199 10.964 -8.410 147 HA ASP 25 HA ASP 25 -4.667 12.346 -8.958 148 HB2 ASP 25 1HB ASP 25 -7.423 13.477 -8.426 149 HB3 ASP 25 2HB ASP 25 -5.986 14.423 -8.803 150 H ARG 26 H ARG 26 -6.862 11.445 -6.414 151 HA ARG 26 HA ARG 26 -4.979 12.570 -4.457 152 HB2 ARG 26 1HB ARG 26 -6.756 13.335 -3.050 153 HB3 ARG 26 2HB ARG 26 -7.039 13.985 -4.659 154 HG2 ARG 26 1HG ARG 26 -8.723 12.297 -5.079 155 HG3 ARG 26 2HG ARG 26 -8.400 11.558 -3.509 156 HD2 ARG 26 1HD ARG 26 -9.269 14.421 -3.806 157 HD3 ARG 26 2HD ARG 26 -10.418 13.093 -3.659 158 HE ARG 26 HE ARG 26 -8.864 12.692 -1.525 159 HH11 ARG 26 2HH1 ARG 26 -10.372 15.576 -2.761 160 HH12 ARG 26 1HH1 ARG 26 -10.549 16.309 -1.201 161 HH21 ARG 26 2HH2 ARG 26 -9.090 13.647 0.534 162 HH22 ARG 26 1HH2 ARG 26 -9.818 15.211 0.673 163 H MET 27 H MET 27 -5.720 11.652 -2.159 164 HA MET 27 HA MET 27 -5.802 8.739 -2.507 165 HB2 MET 27 1HB MET 27 -4.967 10.336 -0.080 166 HB3 MET 27 2HB MET 27 -4.806 8.597 -0.292 167 HG2 MET 27 1HG MET 27 -3.146 8.860 -1.954 168 HG3 MET 27 2HG MET 27 -3.459 10.589 -2.088 169 HE1 MET 27 1HE MET 27 -1.823 7.722 -0.028 170 HE2 MET 27 2HE MET 27 -1.354 8.536 1.465 171 HE3 MET 27 3HE MET 27 -3.061 8.276 1.100 172 H THR 28 H THR 28 -6.956 7.482 -0.834 173 HA THR 28 HA THR 28 -9.493 8.804 -0.153 174 HB THR 28 HB THR 28 -10.463 6.543 -0.028 175 HG1 THR 28 1HG THR 28 -9.221 4.822 -0.090 176 HG21 THR 28 1HG2 THR 28 -10.654 7.656 -2.139 177 HG22 THR 28 2HG2 THR 28 -10.242 5.972 -2.461 178 HG23 THR 28 3HG2 THR 28 -9.003 7.221 -2.579 179 H SER 29 H SER 29 -10.543 8.178 1.862 180 HA SER 29 HA SER 29 -9.244 8.707 4.132 181 HB2 SER 29 1HB SER 29 -11.535 6.844 3.618 182 HB3 SER 29 2HB SER 29 -10.883 6.986 5.250 183 HG SER 29 HG SER 29 -11.129 9.396 4.701 184 H GLN 30 H GLN 30 -9.399 5.485 2.666 185 HA GLN 30 HA GLN 30 -7.954 4.144 4.683 186 HB2 GLN 30 1HB GLN 30 -8.584 3.551 1.813 187 HB3 GLN 30 2HB GLN 30 -7.467 2.520 2.698 188 HG2 GLN 30 1HG GLN 30 -9.465 1.429 2.992 189 HG3 GLN 30 2HG GLN 30 -9.360 2.402 4.459 190 HE21 GLN 30 1HE2 GLN 30 -10.485 2.811 1.114 191 HE22 GLN 30 2HE2 GLN 30 -11.983 3.565 1.531 192 H GLU 31 H GLU 31 -6.835 5.014 1.406 193 HA GLU 31 HA GLU 31 -4.171 4.474 1.688 194 HB2 GLU 31 1HB GLU 31 -5.464 6.750 0.179 195 HB3 GLU 31 2HB GLU 31 -3.778 6.285 -0.003 196 HG2 GLU 31 1HG GLU 31 -4.394 4.143 -0.868 197 HG3 GLU 31 2HG GLU 31 -6.096 4.439 -0.515 198 H ALA 32 H ALA 32 -5.857 7.437 2.647 199 HA ALA 32 HA ALA 32 -3.590 8.891 3.457 200 HB1 ALA 32 1HB ALA 32 -6.463 9.078 4.343 201 HB2 ALA 32 2HB ALA 32 -5.212 10.241 4.781 202 HB3 ALA 32 3HB ALA 32 -5.664 10.028 3.090 203 H ALA 33 H ALA 33 -5.655 6.598 5.161 204 HA ALA 33 HA ALA 33 -4.491 7.036 7.728 205 HB1 ALA 33 1HB ALA 33 -6.626 6.139 7.831 206 HB2 ALA 33 2HB ALA 33 -6.297 4.946 6.574 207 HB3 ALA 33 3HB ALA 33 -5.602 4.747 8.183 208 H CYS 34 H CYS 34 -3.986 4.654 5.156 209 HA CYS 34 HA CYS 34 -2.083 3.107 6.592 210 HB2 CYS 34 1HB CYS 34 -3.044 3.253 3.780 211 HB3 CYS 34 2HB CYS 34 -1.484 2.489 4.058 212 HG CYS 34 HG CYS 34 -2.368 0.396 5.494 213 H PHE 35 H PHE 35 -1.825 5.750 4.257 214 HA PHE 35 HA PHE 35 1.040 5.945 4.918 215 HB2 PHE 35 1HB PHE 35 -0.252 6.808 2.325 216 HB3 PHE 35 2HB PHE 35 1.469 6.786 2.695 217 HD1 PHE 35 2HD PHE 35 -1.478 4.530 2.431 218 HD2 PHE 35 1HD PHE 35 2.744 4.956 2.099 219 HE1 PHE 35 2HE PHE 35 -1.320 2.242 1.540 220 HE2 PHE 35 1HE PHE 35 2.908 2.669 1.206 221 HZ PHE 35 HZ PHE 35 0.875 1.309 0.927 222 HA PRO 36 HA PRO 36 -0.885 9.795 6.492 223 HB2 PRO 36 1HB PRO 36 0.877 10.082 8.538 224 HB3 PRO 36 2HB PRO 36 -0.558 9.056 8.643 225 HG2 PRO 36 1HG PRO 36 2.282 8.289 8.088 226 HG3 PRO 36 2HG PRO 36 1.093 7.495 9.137 227 HD2 PRO 36 1HD PRO 36 1.672 6.596 6.649 228 HD3 PRO 36 2HD PRO 36 0.059 6.433 7.372 229 H ASP 37 H ASP 37 2.583 9.070 6.168 230 HA ASP 37 HA ASP 37 3.497 11.711 6.006 231 HB2 ASP 37 1HB ASP 37 4.793 9.476 4.472 232 HB3 ASP 37 2HB ASP 37 5.552 10.825 5.313 233 H ILE 38 H ILE 38 2.208 9.547 3.554 234 HA ILE 38 HA ILE 38 2.885 11.165 1.318 235 HB ILE 38 HB ILE 38 0.721 9.075 1.584 236 HG12 ILE 38 1HG1 ILE 38 3.016 8.245 2.016 237 HG13 ILE 38 2HG1 ILE 38 2.320 7.560 0.551 238 HG21 ILE 38 1HG2 ILE 38 0.623 10.830 -0.323 239 HG22 ILE 38 2HG2 ILE 38 1.974 9.918 -0.995 240 HG23 ILE 38 3HG2 ILE 38 0.427 9.121 -0.710 241 HD11 ILE 38 1HD1 ILE 38 3.967 8.362 -0.694 242 HD12 ILE 38 2HD1 ILE 38 3.802 9.976 -0.003 243 HD13 ILE 38 3HD1 ILE 38 4.793 8.766 0.811 244 H ILE 39 H ILE 39 -0.208 10.645 3.016 245 HA ILE 39 HA ILE 39 -1.663 12.574 1.580 246 HB ILE 39 HB ILE 39 -2.781 10.862 2.902 247 HG12 ILE 39 1HG1 ILE 39 -4.346 12.433 4.215 248 HG13 ILE 39 2HG1 ILE 39 -3.312 13.735 3.636 249 HG21 ILE 39 1HG2 ILE 39 -2.766 10.803 5.275 250 HG22 ILE 39 2HG2 ILE 39 -1.084 10.904 4.756 251 HG23 ILE 39 3HG2 ILE 39 -1.904 12.339 5.373 252 HD11 ILE 39 1HD1 ILE 39 -3.917 12.242 1.371 253 HD12 ILE 39 2HD1 ILE 39 -5.423 12.328 2.286 254 HD13 ILE 39 3HD1 ILE 39 -4.583 13.809 1.829 255 H SER 40 H SER 40 0.308 12.795 4.486 256 HA SER 40 HA SER 40 -0.357 15.622 4.796 257 HB2 SER 40 1HB SER 40 -0.126 13.869 6.725 258 HB3 SER 40 2HB SER 40 1.603 14.163 6.540 259 HG SER 40 HG SER 40 -0.169 16.331 6.774 260 H GLY 41 H GLY 41 1.133 14.764 2.476 261 HA2 GLY 41 1HA GLY 41 3.677 16.175 3.002 262 HA3 GLY 41 2HA GLY 41 3.563 14.813 1.897 263 HA PRO 42 HA PRO 42 3.052 18.883 -0.393 264 HB2 PRO 42 1HB PRO 42 5.184 18.562 -2.043 265 HB3 PRO 42 2HB PRO 42 5.303 19.340 -0.460 266 HG2 PRO 42 1HG PRO 42 5.983 16.533 -1.247 267 HG3 PRO 42 2HG PRO 42 6.878 17.650 -0.200 268 HD2 PRO 42 1HD PRO 42 5.311 15.672 0.783 269 HD3 PRO 42 2HD PRO 42 5.532 17.221 1.621 270 H GLN 43 H GLN 43 2.069 19.054 -2.372 271 HA GLN 43 HA GLN 43 0.628 17.111 -3.502 272 HB2 GLN 43 1HB GLN 43 0.631 19.503 -4.206 273 HB3 GLN 43 2HB GLN 43 2.083 19.187 -5.147 274 HG2 GLN 43 1HG GLN 43 0.900 17.679 -6.581 275 HG3 GLN 43 2HG GLN 43 -0.540 17.777 -5.569 276 HE21 GLN 43 1HE2 GLN 43 -1.902 19.497 -5.768 277 HE22 GLN 43 2HE2 GLN 43 -1.743 20.703 -6.995 278 H GLN 44 H GLN 44 4.010 17.778 -4.324 279 HA GLN 44 HA GLN 44 4.341 15.964 -6.392 280 HB2 GLN 44 1HB GLN 44 6.039 17.616 -5.739 281 HB3 GLN 44 2HB GLN 44 6.348 16.715 -4.260 282 HG2 GLN 44 1HG GLN 44 8.053 15.949 -5.550 283 HG3 GLN 44 2HG GLN 44 6.818 14.754 -5.943 284 HE21 GLN 44 1HE2 GLN 44 6.904 14.262 -8.006 285 HE22 GLN 44 2HE2 GLN 44 7.146 15.367 -9.312 286 H THR 45 H THR 45 5.095 15.414 -2.948 287 HA THR 45 HA THR 45 5.769 12.745 -3.084 288 HB THR 45 HB THR 45 4.297 14.157 -0.851 289 HG1 THR 45 1HG THR 45 6.613 14.690 -1.708 290 HG21 THR 45 1HG2 THR 45 4.457 12.316 0.435 291 HG22 THR 45 2HG2 THR 45 6.043 11.888 -0.207 292 HG23 THR 45 3HG2 THR 45 4.584 11.455 -1.098 293 H GLN 46 H GLN 46 2.532 14.104 -2.467 294 HA GLN 46 HA GLN 46 1.118 11.740 -2.228 295 HB2 GLN 46 1HB GLN 46 0.321 14.437 -3.304 296 HB3 GLN 46 2HB GLN 46 -0.830 13.114 -3.171 297 HG2 GLN 46 1HG GLN 46 -0.431 12.995 -0.771 298 HG3 GLN 46 2HG GLN 46 0.740 14.307 -0.897 299 HE21 GLN 46 1HE2 GLN 46 -1.123 14.788 0.836 300 HE22 GLN 46 2HE2 GLN 46 -2.331 15.871 0.243 301 H LYS 47 H LYS 47 1.866 13.573 -5.174 302 HA LYS 47 HA LYS 47 0.491 11.892 -6.965 303 HB2 LYS 47 1HB LYS 47 2.843 13.743 -7.367 304 HB3 LYS 47 2HB LYS 47 2.033 12.911 -8.688 305 HG2 LYS 47 1HG LYS 47 -0.107 14.018 -7.804 306 HG3 LYS 47 2HG LYS 47 0.984 15.075 -6.905 307 HD2 LYS 47 1HD LYS 47 1.357 14.651 -9.847 308 HD3 LYS 47 2HD LYS 47 0.161 15.806 -9.253 309 HE2 LYS 47 1HE LYS 47 2.023 17.144 -9.508 310 HE3 LYS 47 2HE LYS 47 2.135 16.693 -7.807 311 HZ1 LYS 47 1HZ LYS 47 4.229 16.181 -8.419 312 HZ2 LYS 47 2HZ LYS 47 3.833 15.935 -10.044 313 HZ3 LYS 47 3HZ LYS 47 3.522 14.723 -8.906 314 H VAL 48 H VAL 48 3.878 11.926 -5.905 315 HA VAL 48 HA VAL 48 4.914 9.950 -7.530 316 HB VAL 48 HB VAL 48 5.584 10.436 -4.624 317 HG11 VAL 48 1HG1 VAL 48 7.420 9.107 -4.832 318 HG12 VAL 48 2HG1 VAL 48 6.351 8.273 -5.962 319 HG13 VAL 48 3HG1 VAL 48 7.571 9.396 -6.565 320 HG21 VAL 48 1HG2 VAL 48 5.749 12.284 -6.534 321 HG22 VAL 48 2HG2 VAL 48 6.949 12.144 -5.249 322 HG23 VAL 48 3HG2 VAL 48 7.273 11.451 -6.838 323 H PHE 49 H PHE 49 3.127 9.600 -4.496 324 HA PHE 49 HA PHE 49 3.362 6.734 -4.483 325 HB2 PHE 49 1HB PHE 49 3.128 7.477 -2.322 326 HB3 PHE 49 2HB PHE 49 2.041 8.785 -2.776 327 HD1 PHE 49 1HD PHE 49 -0.340 8.170 -3.438 328 HD2 PHE 49 2HD PHE 49 2.298 5.492 -1.442 329 HE1 PHE 49 1HE PHE 49 -2.266 6.824 -2.706 330 HE2 PHE 49 2HE PHE 49 0.377 4.142 -0.708 331 HZ PHE 49 HZ PHE 49 -1.908 4.806 -1.340 332 H LEU 50 H LEU 50 0.846 9.086 -5.289 333 HA LEU 50 HA LEU 50 -1.228 7.251 -5.769 334 HB2 LEU 50 1HB LEU 50 -0.667 10.066 -6.542 335 HB3 LEU 50 2HB LEU 50 -1.953 9.210 -7.391 336 HG LEU 50 HG LEU 50 -1.854 9.501 -4.393 337 HD11 LEU 50 1HD1 LEU 50 -1.968 11.698 -5.598 338 HD12 LEU 50 2HD1 LEU 50 -3.347 11.340 -4.560 339 HD13 LEU 50 3HD1 LEU 50 -3.487 11.152 -6.307 340 HD21 LEU 50 1HD2 LEU 50 -3.206 7.655 -5.524 341 HD22 LEU 50 2HD2 LEU 50 -4.229 8.949 -6.148 342 HD23 LEU 50 3HD2 LEU 50 -4.063 8.717 -4.407 343 H PHE 51 H PHE 51 1.633 7.810 -7.468 344 HA PHE 51 HA PHE 51 0.543 6.878 -10.016 345 HB2 PHE 51 1HB PHE 51 2.064 8.758 -10.159 346 HB3 PHE 51 2HB PHE 51 3.294 7.877 -9.259 347 HD1 PHE 51 1HD PHE 51 4.168 5.699 -10.319 348 HD2 PHE 51 2HD PHE 51 2.047 8.697 -12.471 349 HE1 PHE 51 1HE PHE 51 5.092 4.834 -12.429 350 HE2 PHE 51 2HE PHE 51 2.967 7.837 -14.584 351 HZ PHE 51 HZ PHE 51 4.491 5.902 -14.565 352 H ILE 52 H ILE 52 2.755 5.913 -7.455 353 HA ILE 52 HA ILE 52 3.767 3.593 -8.711 354 HB ILE 52 HB ILE 52 3.507 4.246 -5.774 355 HG12 ILE 52 1HG1 ILE 52 6.045 4.262 -7.377 356 HG13 ILE 52 2HG1 ILE 52 4.969 5.655 -7.417 357 HG21 ILE 52 1HG2 ILE 52 4.430 1.843 -7.163 358 HG22 ILE 52 2HG2 ILE 52 5.580 2.486 -5.992 359 HG23 ILE 52 3HG2 ILE 52 3.944 2.068 -5.483 360 HD11 ILE 52 1HD1 ILE 52 5.371 4.894 -4.707 361 HD12 ILE 52 2HD1 ILE 52 6.937 5.020 -5.509 362 HD13 ILE 52 3HD1 ILE 52 5.827 6.390 -5.523 363 H ARG 53 H ARG 53 0.985 4.158 -6.608 364 HA ARG 53 HA ARG 53 0.279 1.402 -6.382 365 HB2 ARG 53 1HB ARG 53 -0.519 2.749 -4.639 366 HB3 ARG 53 2HB ARG 53 -1.107 3.987 -5.741 367 HG2 ARG 53 1HG ARG 53 -2.339 1.297 -5.918 368 HG3 ARG 53 2HG ARG 53 -2.730 2.295 -4.516 369 HD2 ARG 53 1HD ARG 53 -2.850 3.549 -7.208 370 HD3 ARG 53 2HD ARG 53 -4.128 2.419 -6.764 371 HE ARG 53 HE ARG 53 -4.093 4.030 -4.640 372 HH11 ARG 53 2HH1 ARG 53 -4.064 4.741 -8.048 373 HH12 ARG 53 1HH1 ARG 53 -4.898 6.249 -7.873 374 HH21 ARG 53 2HH2 ARG 53 -5.192 6.015 -4.397 375 HH22 ARG 53 1HH2 ARG 53 -5.539 6.973 -5.796 376 H ASN 54 H ASN 54 -0.693 4.057 -8.486 377 HA ASN 54 HA ASN 54 -2.849 2.744 -9.746 378 HB2 ASN 54 1HB ASN 54 -1.182 5.140 -10.311 379 HB3 ASN 54 2HB ASN 54 -2.081 4.454 -11.662 380 HD21 ASN 54 1HD2 ASN 54 -2.395 7.002 -10.247 381 HD22 ASN 54 2HD2 ASN 54 -4.032 7.031 -9.693 382 H ARG 55 H ARG 55 0.575 3.056 -10.630 383 HA ARG 55 HA ARG 55 0.416 1.647 -13.060 384 HB2 ARG 55 1HB ARG 55 2.322 3.110 -12.254 385 HB3 ARG 55 2HB ARG 55 2.826 1.758 -11.249 386 HG2 ARG 55 1HG ARG 55 4.149 1.635 -13.178 387 HG3 ARG 55 2HG ARG 55 2.915 0.390 -13.379 388 HD2 ARG 55 1HD ARG 55 1.602 2.008 -14.744 389 HD3 ARG 55 2HD ARG 55 2.960 3.128 -14.639 390 HE ARG 55 HE ARG 55 3.619 0.514 -15.676 391 HH11 ARG 55 2HH1 ARG 55 2.602 3.760 -16.420 392 HH12 ARG 55 1HH1 ARG 55 3.159 3.698 -18.060 393 HH21 ARG 55 2HH2 ARG 55 4.356 0.420 -17.832 394 HH22 ARG 55 1HH2 ARG 55 4.156 1.797 -18.862 395 H THR 56 H THR 56 1.287 0.571 -9.787 396 HA THR 56 HA THR 56 1.972 -2.037 -10.244 397 HB THR 56 HB THR 56 0.297 -0.995 -7.951 398 HG1 THR 56 1HG THR 56 2.141 -0.056 -7.505 399 HG21 THR 56 1HG2 THR 56 0.606 -3.606 -8.525 400 HG22 THR 56 2HG2 THR 56 0.514 -2.983 -6.878 401 HG23 THR 56 3HG2 THR 56 2.083 -3.326 -7.605 402 H LEU 57 H LEU 57 -1.299 -0.705 -9.980 403 HA LEU 57 HA LEU 57 -2.622 -3.212 -10.217 404 HB2 LEU 57 1HB LEU 57 -3.410 -0.354 -10.282 405 HB3 LEU 57 2HB LEU 57 -4.524 -1.519 -10.995 406 HG LEU 57 HG LEU 57 -3.521 -1.600 -8.150 407 HD11 LEU 57 1HD1 LEU 57 -4.935 0.169 -8.006 408 HD12 LEU 57 2HD1 LEU 57 -6.123 -1.129 -7.893 409 HD13 LEU 57 3HD1 LEU 57 -5.859 -0.308 -9.431 410 HD21 LEU 57 1HD2 LEU 57 -5.281 -3.353 -9.793 411 HD22 LEU 57 2HD2 LEU 57 -5.646 -3.142 -8.080 412 HD23 LEU 57 3HD2 LEU 57 -4.079 -3.782 -8.576 413 H GLN 58 H GLN 58 -1.838 -0.630 -12.515 414 HA GLN 58 HA GLN 58 -3.152 -1.519 -14.758 415 HB2 GLN 58 1HB GLN 58 -0.591 -0.038 -14.340 416 HB3 GLN 58 2HB GLN 58 -1.007 -0.570 -15.964 417 HG2 GLN 58 1HG GLN 58 -2.760 1.141 -14.217 418 HG3 GLN 58 2HG GLN 58 -1.694 1.746 -15.484 419 HE21 GLN 58 1HE2 GLN 58 -2.405 1.785 -17.523 420 HE22 GLN 58 2HE2 GLN 58 -3.913 1.135 -18.059 421 H LEU 59 H LEU 59 0.190 -2.358 -13.837 422 HA LEU 59 HA LEU 59 0.687 -4.179 -15.878 423 HB2 LEU 59 1HB LEU 59 1.731 -4.405 -13.064 424 HB3 LEU 59 2HB LEU 59 2.483 -5.011 -14.538 425 HG LEU 59 HG LEU 59 2.060 -2.074 -14.054 426 HD11 LEU 59 1HD1 LEU 59 3.660 -2.036 -12.524 427 HD12 LEU 59 2HD1 LEU 59 4.770 -2.810 -13.655 428 HD13 LEU 59 3HD1 LEU 59 3.772 -3.795 -12.586 429 HD21 LEU 59 1HD2 LEU 59 3.531 -1.746 -15.814 430 HD22 LEU 59 2HD2 LEU 59 2.594 -3.142 -16.350 431 HD23 LEU 59 3HD2 LEU 59 4.211 -3.368 -15.683 432 H TRP 60 H TRP 60 -0.940 -4.617 -12.792 433 HA TRP 60 HA TRP 60 -1.112 -7.465 -12.997 434 HB2 TRP 60 1HB TRP 60 -1.296 -6.818 -10.796 435 HB3 TRP 60 2HB TRP 60 -2.226 -5.374 -11.186 436 HD1 TRP 60 HD TRP 60 -4.851 -5.580 -11.211 437 HE1 TRP 60 1HE TRP 60 -6.481 -7.435 -10.485 438 HE3 TRP 60 3HE TRP 60 -1.527 -9.432 -10.709 439 HZ2 TRP 60 2HZ TRP 60 -6.373 -10.169 -9.791 440 HZ3 TRP 60 3HZ TRP 60 -2.372 -11.635 -10.010 441 HH2 TRP 60 HH TRP 60 -4.744 -11.993 -9.560 442 H LEU 61 H LEU 61 -3.104 -4.767 -13.984 443 HA LEU 61 HA LEU 61 -5.428 -6.339 -14.558 444 HB2 LEU 61 1HB LEU 61 -4.581 -3.526 -14.969 445 HB3 LEU 61 2HB LEU 61 -5.874 -4.145 -15.993 446 HG LEU 61 HG LEU 61 -5.906 -4.063 -12.976 447 HD11 LEU 61 1HD1 LEU 61 -6.174 -1.853 -13.611 448 HD12 LEU 61 2HD1 LEU 61 -7.836 -2.435 -13.533 449 HD13 LEU 61 3HD1 LEU 61 -7.031 -2.274 -15.094 450 HD21 LEU 61 1HD2 LEU 61 -7.420 -5.593 -14.849 451 HD22 LEU 61 2HD2 LEU 61 -8.476 -4.396 -14.097 452 HD23 LEU 61 3HD2 LEU 61 -7.567 -5.527 -13.093 453 H ASP 62 H ASP 62 -2.525 -5.517 -16.238 454 HA ASP 62 HA ASP 62 -3.622 -6.351 -18.814 455 HB2 ASP 62 1HB ASP 62 -1.113 -4.973 -17.940 456 HB3 ASP 62 2HB ASP 62 -1.132 -5.819 -19.485 457 H ASN 63 H ASN 63 -1.579 -7.483 -16.248 458 HA ASN 63 HA ASN 63 -1.237 -10.018 -17.697 459 HB2 ASN 63 1HB ASN 63 0.861 -8.430 -17.453 460 HB3 ASN 63 2HB ASN 63 0.908 -9.101 -15.826 461 HD21 ASN 63 1HD2 ASN 63 0.073 -11.677 -16.299 462 HD22 ASN 63 2HD2 ASN 63 1.254 -12.494 -17.259 463 HA PRO 64 HA PRO 64 -2.929 -10.345 -13.273 464 HB2 PRO 64 1HB PRO 64 -5.451 -11.118 -13.915 465 HB3 PRO 64 2HB PRO 64 -4.989 -9.425 -13.707 466 HG2 PRO 64 1HG PRO 64 -5.309 -11.004 -16.230 467 HG3 PRO 64 2HG PRO 64 -5.837 -9.350 -15.871 468 HD2 PRO 64 1HD PRO 64 -3.595 -9.887 -17.291 469 HD3 PRO 64 2HD PRO 64 -3.740 -8.466 -16.236 470 H LYS 65 H LYS 65 -2.268 -12.192 -15.950 471 HA LYS 65 HA LYS 65 -3.303 -14.711 -14.994 472 HB2 LYS 65 1HB LYS 65 -2.032 -15.663 -16.911 473 HB3 LYS 65 2HB LYS 65 -3.156 -14.393 -17.377 474 HG2 LYS 65 1HG LYS 65 -1.489 -12.924 -17.922 475 HG3 LYS 65 2HG LYS 65 -0.329 -13.659 -16.813 476 HD2 LYS 65 1HD LYS 65 -0.587 -15.715 -18.442 477 HD3 LYS 65 2HD LYS 65 -1.093 -14.463 -19.579 478 HE2 LYS 65 1HE LYS 65 1.440 -14.233 -17.981 479 HE3 LYS 65 2HE LYS 65 1.387 -15.084 -19.524 480 HZ1 LYS 65 1HZ LYS 65 0.379 -12.955 -20.427 481 HZ2 LYS 65 2HZ LYS 65 2.026 -12.917 -20.047 482 HZ3 LYS 65 3HZ LYS 65 0.900 -12.216 -18.997 483 H ILE 66 H ILE 66 -0.917 -12.837 -13.881 484 HA ILE 66 HA ILE 66 0.517 -15.118 -12.763 485 HB ILE 66 HB ILE 66 2.707 -14.206 -13.208 486 HG12 ILE 66 1HG1 ILE 66 1.294 -12.032 -14.768 487 HG13 ILE 66 2HG1 ILE 66 2.050 -11.815 -13.194 488 HG21 ILE 66 1HG2 ILE 66 2.108 -15.700 -14.884 489 HG22 ILE 66 2HG2 ILE 66 0.904 -14.606 -15.564 490 HG23 ILE 66 3HG2 ILE 66 2.622 -14.274 -15.785 491 HD11 ILE 66 1HD1 ILE 66 3.928 -12.983 -15.003 492 HD12 ILE 66 2HD1 ILE 66 3.219 -11.536 -15.722 493 HD13 ILE 66 3HD1 ILE 66 4.006 -11.443 -14.147 494 H GLN 67 H GLN 67 1.720 -14.605 -10.842 495 HA GLN 67 HA GLN 67 0.408 -12.647 -9.225 496 HB2 GLN 67 1HB GLN 67 1.619 -13.536 -7.413 497 HB3 GLN 67 2HB GLN 67 1.320 -14.909 -8.470 498 HG2 GLN 67 1HG GLN 67 3.884 -13.352 -8.232 499 HG3 GLN 67 2HG GLN 67 3.577 -14.981 -7.632 500 HE21 GLN 67 1HE2 GLN 67 4.941 -13.254 -10.066 501 HE22 GLN 67 2HE2 GLN 67 4.954 -14.457 -11.306 502 H LEU 68 H LEU 68 0.997 -10.620 -8.778 503 HA LEU 68 HA LEU 68 3.405 -9.572 -10.033 504 HB2 LEU 68 1HB LEU 68 1.076 -8.504 -10.125 505 HB3 LEU 68 2HB LEU 68 1.391 -7.989 -8.469 506 HG LEU 68 HG LEU 68 3.377 -6.748 -9.279 507 HD11 LEU 68 1HD1 LEU 68 2.445 -7.851 -11.896 508 HD12 LEU 68 2HD1 LEU 68 4.076 -7.771 -11.231 509 HD13 LEU 68 3HD1 LEU 68 3.294 -6.307 -11.828 510 HD21 LEU 68 1HD2 LEU 68 1.676 -5.312 -10.927 511 HD22 LEU 68 2HD2 LEU 68 1.868 -5.114 -9.185 512 HD23 LEU 68 3HD2 LEU 68 0.593 -6.155 -9.819 513 H THR 69 H THR 69 5.162 -10.050 -8.823 514 HA THR 69 HA THR 69 5.130 -9.861 -5.948 515 HB THR 69 HB THR 69 7.455 -10.523 -6.028 516 HG1 THR 69 1HG THR 69 8.482 -10.755 -8.096 517 HG21 THR 69 1HG2 THR 69 5.894 -12.332 -6.298 518 HG22 THR 69 2HG2 THR 69 7.264 -12.618 -7.372 519 HG23 THR 69 3HG2 THR 69 5.744 -12.006 -8.024 520 H PHE 70 H PHE 70 6.809 -8.573 -4.793 521 HA PHE 70 HA PHE 70 6.507 -5.840 -5.321 522 HB2 PHE 70 1HB PHE 70 6.979 -6.302 -3.095 523 HB3 PHE 70 2HB PHE 70 8.265 -7.436 -3.497 524 HD1 PHE 70 2HD PHE 70 7.385 -3.874 -3.222 525 HD2 PHE 70 1HD PHE 70 10.508 -6.711 -3.782 526 HE1 PHE 70 2HE PHE 70 9.053 -2.105 -2.849 527 HE2 PHE 70 1HE PHE 70 12.182 -4.947 -3.408 528 HZ PHE 70 HZ PHE 70 11.456 -2.640 -2.942 529 H GLU 71 H GLU 71 9.174 -8.058 -6.012 530 HA GLU 71 HA GLU 71 11.042 -6.196 -6.924 531 HB2 GLU 71 1HB GLU 71 10.578 -9.092 -7.603 532 HB3 GLU 71 2HB GLU 71 11.895 -8.175 -8.318 533 HG2 GLU 71 1HG GLU 71 12.539 -7.616 -5.892 534 HG3 GLU 71 2HG GLU 71 11.486 -8.963 -5.463 535 H ALA 72 H ALA 72 8.865 -8.217 -8.903 536 HA ALA 72 HA ALA 72 9.383 -7.181 -11.381 537 HB1 ALA 72 1HB ALA 72 7.788 -9.064 -10.715 538 HB2 ALA 72 2HB ALA 72 6.571 -7.799 -10.534 539 HB3 ALA 72 3HB ALA 72 7.339 -8.066 -12.099 540 H THR 73 H THR 73 6.740 -6.047 -9.264 541 HA THR 73 HA THR 73 5.883 -3.900 -10.744 542 HB THR 73 HB THR 73 6.094 -3.961 -7.728 543 HG1 THR 73 1HG THR 73 4.942 -5.757 -8.452 544 HG21 THR 73 1HG2 THR 73 4.740 -2.174 -9.672 545 HG22 THR 73 2HG2 THR 73 5.417 -1.814 -8.084 546 HG23 THR 73 3HG2 THR 73 3.847 -2.606 -8.214 547 H LEU 74 H LEU 74 8.588 -4.019 -8.466 548 HA LEU 74 HA LEU 74 9.212 -1.267 -8.555 549 HB2 LEU 74 1HB LEU 74 10.101 -2.467 -6.757 550 HB3 LEU 74 2HB LEU 74 10.750 -3.727 -7.804 551 HG LEU 74 HG LEU 74 12.277 -1.781 -8.680 552 HD11 LEU 74 1HD1 LEU 74 11.027 -0.665 -6.263 553 HD12 LEU 74 2HD1 LEU 74 11.768 0.147 -7.641 554 HD13 LEU 74 3HD1 LEU 74 12.782 -0.507 -6.355 555 HD21 LEU 74 1HD2 LEU 74 13.505 -3.455 -7.786 556 HD22 LEU 74 2HD2 LEU 74 12.497 -3.576 -6.343 557 HD23 LEU 74 3HD2 LEU 74 13.705 -2.296 -6.471 558 H GLN 75 H GLN 75 10.755 -4.035 -10.193 559 HA GLN 75 HA GLN 75 12.609 -2.678 -11.705 560 HB2 GLN 75 1HB GLN 75 11.007 -5.140 -12.400 561 HB3 GLN 75 2HB GLN 75 12.366 -4.566 -13.357 562 HG2 GLN 75 1HG GLN 75 12.735 -5.055 -10.442 563 HG3 GLN 75 2HG GLN 75 12.696 -6.420 -11.557 564 HE21 GLN 75 1HE2 GLN 75 14.426 -3.590 -10.542 565 HE22 GLN 75 2HE2 GLN 75 15.890 -3.927 -11.395 566 H GLN 76 H GLN 76 9.262 -3.461 -12.634 567 HA GLN 76 HA GLN 76 9.320 -2.208 -15.142 568 HB2 GLN 76 1HB GLN 76 6.974 -2.645 -13.285 569 HB3 GLN 76 2HB GLN 76 6.853 -2.218 -14.987 570 HG2 GLN 76 1HG GLN 76 7.552 -4.297 -15.698 571 HG3 GLN 76 2HG GLN 76 8.357 -4.662 -14.173 572 HE21 GLN 76 1HE2 GLN 76 6.751 -4.643 -12.257 573 HE22 GLN 76 2HE2 GLN 76 5.295 -5.538 -12.512 574 H LEU 77 H LEU 77 8.535 -0.974 -11.931 575 HA LEU 77 HA LEU 77 7.485 1.503 -12.614 576 HB2 LEU 77 1HB LEU 77 8.862 0.368 -10.259 577 HB3 LEU 77 2HB LEU 77 8.815 2.126 -10.364 578 HG LEU 77 HG LEU 77 6.297 0.526 -10.626 579 HD11 LEU 77 1HD1 LEU 77 6.796 1.568 -7.960 580 HD12 LEU 77 2HD1 LEU 77 7.922 0.289 -8.414 581 HD13 LEU 77 3HD1 LEU 77 6.185 -0.007 -8.466 582 HD21 LEU 77 1HD2 LEU 77 5.851 2.849 -9.204 583 HD22 LEU 77 2HD2 LEU 77 5.542 2.603 -10.923 584 HD23 LEU 77 3HD2 LEU 77 7.066 3.318 -10.394 585 H GLU 78 H GLU 78 8.523 3.645 -12.392 586 HA GLU 78 HA GLU 78 11.342 3.655 -13.221 587 HB2 GLU 78 1HB GLU 78 10.837 5.422 -14.874 588 HB3 GLU 78 2HB GLU 78 10.051 3.897 -15.256 589 HG2 GLU 78 1HG GLU 78 7.946 4.724 -14.415 590 HG3 GLU 78 2HG GLU 78 8.712 6.226 -13.901 591 H ALA 79 H ALA 79 12.516 4.936 -11.970 592 HA ALA 79 HA ALA 79 11.671 6.356 -9.806 593 HB1 ALA 79 1HB ALA 79 13.910 7.706 -11.064 594 HB2 ALA 79 2HB ALA 79 13.837 6.807 -9.547 595 HB3 ALA 79 3HB ALA 79 14.098 5.952 -11.067 596 HA PRO 80 HA PRO 80 12.788 8.381 -8.846 597 HB2 PRO 80 1HB PRO 80 11.307 10.022 -7.270 598 HB3 PRO 80 2HB PRO 80 12.571 10.615 -8.355 599 HG2 PRO 80 1HG PRO 80 9.605 10.550 -8.757 600 HG3 PRO 80 2HG PRO 80 10.757 11.844 -9.135 601 HD2 PRO 80 1HD PRO 80 9.798 10.152 -11.019 602 HD3 PRO 80 2HD PRO 80 11.432 10.843 -11.098 603 H TYR 81 H TYR 81 9.702 7.497 -9.761 604 HA TYR 81 HA TYR 81 8.367 6.773 -7.464 605 HB2 TYR 81 1HB TYR 81 8.470 5.060 -9.948 606 HB3 TYR 81 2HB TYR 81 7.153 5.188 -8.787 607 HD1 TYR 81 1HD TYR 81 7.206 8.229 -8.526 608 HD2 TYR 81 2HD TYR 81 7.273 5.653 -11.912 609 HE1 TYR 81 1HE TYR 81 6.176 10.000 -9.887 610 HE2 TYR 81 2HE TYR 81 6.245 7.417 -13.282 611 HH TYR 81 HH TYR 81 5.893 9.739 -13.333 612 H ASN 82 H ASN 82 10.536 4.657 -9.350 613 HA ASN 82 HA ASN 82 10.590 2.620 -7.371 614 HB2 ASN 82 1HB ASN 82 12.449 1.679 -8.724 615 HB3 ASN 82 2HB ASN 82 11.035 2.080 -9.694 616 HD21 ASN 82 1HD2 ASN 82 12.549 2.030 -11.473 617 HD22 ASN 82 2HD2 ASN 82 13.494 3.434 -11.820 618 H SER 83 H SER 83 12.403 5.524 -7.884 619 HA SER 83 HA SER 83 14.810 5.100 -6.691 620 HB2 SER 83 1HB SER 83 13.912 7.285 -7.609 621 HB3 SER 83 2HB SER 83 13.105 7.515 -6.058 622 HG SER 83 HG SER 83 15.895 7.250 -6.506 623 H ASP 84 H ASP 84 11.783 5.866 -4.984 624 HA ASP 84 HA ASP 84 13.056 5.175 -2.442 625 HB2 ASP 84 1HB ASP 84 10.569 6.656 -3.211 626 HB3 ASP 84 2HB ASP 84 10.682 5.938 -1.606 627 H THR 85 H THR 85 13.183 2.926 -2.676 628 HA THR 85 HA THR 85 11.121 1.221 -3.460 629 HB THR 85 HB THR 85 12.322 -0.528 -2.090 630 HG1 THR 85 1HG THR 85 13.619 1.781 -1.225 631 HG21 THR 85 1HG2 THR 85 12.966 -0.373 -4.349 632 HG22 THR 85 2HG2 THR 85 14.480 -0.300 -3.447 633 HG23 THR 85 3HG2 THR 85 13.769 1.176 -4.101 634 H VAL 86 H VAL 86 11.938 2.493 -0.259 635 HA VAL 86 HA VAL 86 10.356 1.057 1.412 636 HB VAL 86 HB VAL 86 11.793 3.102 1.958 637 HG11 VAL 86 1HG1 VAL 86 9.217 4.620 1.739 638 HG12 VAL 86 2HG1 VAL 86 10.857 5.238 1.943 639 HG13 VAL 86 3HG1 VAL 86 10.357 4.553 0.396 640 HG21 VAL 86 1HG2 VAL 86 9.142 2.567 3.275 641 HG22 VAL 86 2HG2 VAL 86 10.731 1.951 3.731 642 HG23 VAL 86 3HG2 VAL 86 10.347 3.657 3.962 643 H LEU 87 H LEU 87 9.295 3.565 -0.828 644 HA LEU 87 HA LEU 87 6.578 3.552 0.076 645 HB2 LEU 87 1HB LEU 87 7.900 5.393 -1.187 646 HB3 LEU 87 2HB LEU 87 7.437 4.494 -2.631 647 HG LEU 87 HG LEU 87 5.061 4.813 -2.024 648 HD11 LEU 87 1HD1 LEU 87 5.280 5.042 0.373 649 HD12 LEU 87 2HD1 LEU 87 4.503 6.475 -0.299 650 HD13 LEU 87 3HD1 LEU 87 6.201 6.533 0.174 651 HD21 LEU 87 1HD2 LEU 87 5.499 7.544 -2.086 652 HD22 LEU 87 2HD2 LEU 87 5.351 6.473 -3.480 653 HD23 LEU 87 3HD2 LEU 87 6.945 6.864 -2.833 654 H VAL 88 H VAL 88 8.337 2.083 -2.619 655 HA VAL 88 HA VAL 88 6.095 0.959 -3.913 656 HB VAL 88 HB VAL 88 8.969 0.027 -3.937 657 HG11 VAL 88 1HG1 VAL 88 6.557 -1.035 -5.167 658 HG12 VAL 88 2HG1 VAL 88 7.816 -0.658 -6.345 659 HG13 VAL 88 3HG1 VAL 88 8.158 -1.756 -5.008 660 HG21 VAL 88 1HG2 VAL 88 8.476 2.392 -4.690 661 HG22 VAL 88 2HG2 VAL 88 9.272 1.354 -5.873 662 HG23 VAL 88 3HG2 VAL 88 7.544 1.681 -6.008 663 H HIS 89 H HIS 89 8.010 -0.057 -1.189 664 HA HIS 89 HA HIS 89 7.068 -2.771 -1.195 665 HB2 HIS 89 1HB HIS 89 9.236 -2.267 -0.224 666 HB3 HIS 89 2HB HIS 89 8.498 -1.155 0.924 667 HD1 HIS 89 1HD HIS 89 9.738 -4.480 0.732 668 HD2 HIS 89 2HD HIS 89 6.520 -2.675 2.642 669 HE1 HIS 89 1HE HIS 89 9.066 -6.068 2.562 670 HE2 HIS 89 2HE HIS 89 7.063 -4.995 3.649 671 H ARG 90 H ARG 90 6.200 0.225 0.435 672 HA ARG 90 HA ARG 90 4.294 -1.013 2.185 673 HB2 ARG 90 1HB ARG 90 4.738 1.883 1.438 674 HB3 ARG 90 2HB ARG 90 3.616 1.337 2.677 675 HG2 ARG 90 1HG ARG 90 5.301 0.719 4.123 676 HG3 ARG 90 2HG ARG 90 6.488 0.543 2.828 677 HD2 ARG 90 1HD ARG 90 6.739 2.878 2.607 678 HD3 ARG 90 2HD ARG 90 5.295 3.201 3.567 679 HE ARG 90 HE ARG 90 7.082 1.824 5.192 680 HH11 ARG 90 2HH1 ARG 90 6.893 4.876 3.528 681 HH12 ARG 90 1HH1 ARG 90 7.894 5.709 4.670 682 HH21 ARG 90 2HH2 ARG 90 8.402 2.910 6.702 683 HH22 ARG 90 1HH2 ARG 90 8.753 4.590 6.475 684 H VAL 91 H VAL 91 4.110 0.873 -0.813 685 HA VAL 91 HA VAL 91 1.297 0.939 -0.990 686 HB VAL 91 HB VAL 91 3.353 1.082 -3.199 687 HG11 VAL 91 1HG1 VAL 91 1.515 2.243 -4.445 688 HG12 VAL 91 2HG1 VAL 91 1.255 0.518 -4.182 689 HG13 VAL 91 3HG1 VAL 91 0.405 1.701 -3.187 690 HG21 VAL 91 1HG2 VAL 91 3.374 2.806 -1.300 691 HG22 VAL 91 2HG2 VAL 91 3.328 3.408 -2.957 692 HG23 VAL 91 3HG2 VAL 91 1.856 3.382 -1.987 693 H HIS 92 H HIS 92 3.608 -1.078 -2.819 694 HA HIS 92 HA HIS 92 1.833 -2.712 -4.125 695 HB2 HIS 92 1HB HIS 92 4.289 -2.740 -4.457 696 HB3 HIS 92 2HB HIS 92 4.469 -3.581 -2.920 697 HD1 HIS 92 1HD HIS 92 3.680 -6.070 -2.837 698 HD2 HIS 92 2HD HIS 92 3.510 -4.320 -6.601 699 HE1 HIS 92 1HE HIS 92 3.390 -7.976 -4.452 700 HE2 HIS 92 2HE HIS 92 3.376 -6.900 -6.729 701 H SER 93 H SER 93 2.755 -2.778 -0.764 702 HA SER 93 HA SER 93 1.712 -5.366 -0.187 703 HB2 SER 93 1HB SER 93 3.392 -3.879 1.171 704 HB3 SER 93 2HB SER 93 1.926 -3.216 1.894 705 HG SER 93 HG SER 93 1.495 -5.711 2.042 706 H TYR 94 H TYR 94 0.524 -2.155 0.821 707 HA TYR 94 HA TYR 94 -1.877 -2.763 1.875 708 HB2 TYR 94 1HB TYR 94 -1.516 -0.498 1.893 709 HB3 TYR 94 2HB TYR 94 -0.938 -0.466 0.231 710 HD1 TYR 94 2HD TYR 94 -2.676 -0.753 -1.630 711 HD2 TYR 94 1HD TYR 94 -3.709 0.141 2.400 712 HE1 TYR 94 2HE TYR 94 -4.868 0.071 -2.381 713 HE2 TYR 94 1HE TYR 94 -5.904 0.966 1.660 714 HH TYR 94 HH TYR 94 -7.082 0.458 -1.518 715 H LEU 95 H LEU 95 -1.109 -2.719 -1.563 716 HA LEU 95 HA LEU 95 -3.754 -3.101 -2.498 717 HB2 LEU 95 1HB LEU 95 -1.080 -3.701 -3.744 718 HB3 LEU 95 2HB LEU 95 -2.614 -3.878 -4.592 719 HG LEU 95 HG LEU 95 -1.791 -1.250 -3.401 720 HD11 LEU 95 1HD1 LEU 95 -0.077 -2.324 -5.043 721 HD12 LEU 95 2HD1 LEU 95 -0.566 -0.643 -5.252 722 HD13 LEU 95 3HD1 LEU 95 -1.273 -1.899 -6.267 723 HD21 LEU 95 1HD2 LEU 95 -4.153 -1.817 -4.237 724 HD22 LEU 95 2HD2 LEU 95 -3.444 -1.762 -5.851 725 HD23 LEU 95 3HD2 LEU 95 -3.399 -0.332 -4.818 726 H GLU 96 H GLU 96 -1.046 -5.428 -2.409 727 HA GLU 96 HA GLU 96 -2.620 -7.691 -2.930 728 HB2 GLU 96 1HB GLU 96 -0.221 -7.745 -3.240 729 HB3 GLU 96 2HB GLU 96 0.045 -7.441 -1.529 730 HG2 GLU 96 1HG GLU 96 -1.196 -9.626 -1.119 731 HG3 GLU 96 2HG GLU 96 -0.992 -9.927 -2.843 732 H ARG 97 H ARG 97 -1.210 -6.640 0.176 733 HA ARG 97 HA ARG 97 -2.233 -8.473 1.884 734 HB2 ARG 97 1HB ARG 97 -1.795 -5.525 2.175 735 HB3 ARG 97 2HB ARG 97 -2.533 -6.423 3.495 736 HG2 ARG 97 1HG ARG 97 0.027 -7.372 2.284 737 HG3 ARG 97 2HG ARG 97 0.028 -6.061 3.465 738 HD2 ARG 97 1HD ARG 97 -1.114 -7.494 5.072 739 HD3 ARG 97 2HD ARG 97 -1.165 -8.799 3.887 740 HE ARG 97 HE ARG 97 1.103 -7.967 5.468 741 HH11 ARG 97 2HH1 ARG 97 0.014 -9.687 2.644 742 HH12 ARG 97 1HH1 ARG 97 1.436 -10.672 2.535 743 HH21 ARG 97 2HH2 ARG 97 2.979 -9.257 5.335 744 HH22 ARG 97 1HH2 ARG 97 3.121 -10.427 4.067 745 H HIS 98 H HIS 98 -3.959 -5.564 0.776 746 HA HIS 98 HA HIS 98 -6.357 -6.100 2.157 747 HB2 HIS 98 1HB HIS 98 -5.688 -4.394 -0.230 748 HB3 HIS 98 2HB HIS 98 -7.343 -4.541 0.353 749 HD1 HIS 98 1HD HIS 98 -7.373 -2.030 0.998 750 HD2 HIS 98 2HD HIS 98 -4.515 -4.278 3.007 751 HE1 HIS 98 1HE HIS 98 -6.585 -0.577 2.893 752 HE2 HIS 98 2HE HIS 98 -4.795 -1.925 4.043 753 H GLY 99 H GLY 99 -5.237 -6.951 -1.086 754 HA2 GLY 99 1HA GLY 99 -5.945 -9.101 -1.987 755 HA3 GLY 99 2HA GLY 99 -7.525 -8.807 -1.275 756 H LEU 100 H LEU 100 -5.584 -6.477 -3.075 757 HA LEU 100 HA LEU 100 -7.772 -6.284 -5.022 758 HB2 LEU 100 1HB LEU 100 -5.528 -4.318 -4.731 759 HB3 LEU 100 2HB LEU 100 -7.125 -4.072 -5.436 760 HG LEU 100 HG LEU 100 -6.258 -3.973 -2.597 761 HD11 LEU 100 1HD1 LEU 100 -8.110 -2.438 -4.393 762 HD12 LEU 100 2HD1 LEU 100 -6.636 -1.887 -3.598 763 HD13 LEU 100 3HD1 LEU 100 -8.086 -2.203 -2.645 764 HD21 LEU 100 1HD2 LEU 100 -8.708 -5.315 -3.553 765 HD22 LEU 100 2HD2 LEU 100 -8.913 -4.151 -2.244 766 HD23 LEU 100 3HD2 LEU 100 -7.814 -5.517 -2.047 767 H ILE 101 H ILE 101 -4.611 -7.429 -4.667 768 HA ILE 101 HA ILE 101 -4.411 -7.818 -7.566 769 HB ILE 101 HB ILE 101 -1.986 -7.365 -7.505 770 HG12 ILE 101 1HG1 ILE 101 -2.327 -5.959 -4.886 771 HG13 ILE 101 2HG1 ILE 101 -2.023 -7.692 -4.890 772 HG21 ILE 101 1HG2 ILE 101 -4.053 -5.563 -7.669 773 HG22 ILE 101 2HG2 ILE 101 -2.958 -4.805 -6.514 774 HG23 ILE 101 3HG2 ILE 101 -2.376 -5.253 -8.117 775 HD11 ILE 101 1HD1 ILE 101 -0.203 -6.259 -6.627 776 HD12 ILE 101 2HD1 ILE 101 -0.130 -5.698 -4.956 777 HD13 ILE 101 3HD1 ILE 101 0.131 -7.402 -5.326 778 H ASN 102 H ASN 102 -3.511 -9.744 -8.194 779 HA ASN 102 HA ASN 102 -2.808 -11.903 -8.052 780 HB2 ASN 102 1HB ASN 102 -1.649 -11.101 -5.375 781 HB3 ASN 102 2HB ASN 102 -1.199 -12.507 -6.335 782 HD21 ASN 102 1HD2 ASN 102 0.918 -11.339 -5.870 783 HD22 ASN 102 2HD2 ASN 102 1.450 -10.226 -7.079 784 H PHE 103 H PHE 103 -5.370 -11.711 -7.564 785 HA PHE 103 HA PHE 103 -5.843 -13.368 -5.173 786 HB2 PHE 103 1HB PHE 103 -8.221 -12.439 -5.317 787 HB3 PHE 103 2HB PHE 103 -6.969 -11.331 -4.764 788 HD1 PHE 103 1HD PHE 103 -8.228 -12.435 -8.102 789 HD2 PHE 103 2HD PHE 103 -7.306 -9.194 -5.502 790 HE1 PHE 103 1HE PHE 103 -8.867 -10.842 -9.866 791 HE2 PHE 103 2HE PHE 103 -7.944 -7.596 -7.261 792 HZ PHE 103 HZ PHE 103 -8.726 -8.419 -9.446 793 H GLY 104 H GLY 104 -5.107 -14.289 -7.822 794 HA2 GLY 104 1HA GLY 104 -7.275 -16.176 -8.191 795 HA3 GLY 104 2HA GLY 104 -6.989 -15.112 -9.560 796 H ILE 105 H ILE 105 -4.433 -14.948 -9.965 797 HA ILE 105 HA ILE 105 -3.596 -17.145 -11.273 798 HB ILE 105 HB ILE 105 -1.303 -16.395 -11.074 799 HG12 ILE 105 1HG1 ILE 105 -1.339 -16.004 -8.617 800 HG13 ILE 105 2HG1 ILE 105 -0.619 -14.671 -9.513 801 HG21 ILE 105 1HG2 ILE 105 -3.302 -14.145 -11.217 802 HG22 ILE 105 2HG2 ILE 105 -1.610 -13.999 -11.693 803 HG23 ILE 105 3HG2 ILE 105 -2.676 -15.109 -12.554 804 HD11 ILE 105 1HD1 ILE 105 -3.327 -14.789 -8.228 805 HD12 ILE 105 2HD1 ILE 105 -1.984 -13.708 -7.857 806 HD13 ILE 105 3HD1 ILE 105 -2.862 -13.533 -9.376 807 H TYR 106 H TYR 106 -3.400 -16.636 -7.813 808 HA TYR 106 HA TYR 106 -2.704 -19.459 -7.484 809 HB2 TYR 106 1HB TYR 106 -1.005 -18.983 -5.826 810 HB3 TYR 106 2HB TYR 106 -0.597 -18.149 -7.321 811 HD1 TYR 106 1HD TYR 106 -2.451 -17.515 -4.135 812 HD2 TYR 106 2HD TYR 106 0.088 -15.951 -7.170 813 HE1 TYR 106 1HE TYR 106 -2.290 -15.395 -2.899 814 HE2 TYR 106 2HE TYR 106 0.258 -13.827 -5.942 815 HH TYR 106 HH TYR 106 -0.272 -12.725 -4.087 816 H LYS 107 H LYS 107 -3.500 -20.409 -5.619 817 HA LYS 107 HA LYS 107 -5.818 -19.204 -4.496 818 HB2 LYS 107 1HB LYS 107 -4.308 -21.696 -3.691 819 HB3 LYS 107 2HB LYS 107 -5.882 -21.232 -3.058 820 HG2 LYS 107 1HG LYS 107 -6.972 -21.741 -5.005 821 HG3 LYS 107 2HG LYS 107 -5.541 -21.475 -6.004 822 HD2 LYS 107 1HD LYS 107 -5.736 -23.752 -4.048 823 HD3 LYS 107 2HD LYS 107 -6.317 -23.885 -5.710 824 HE2 LYS 107 1HE LYS 107 -4.153 -23.543 -6.594 825 HE3 LYS 107 2HE LYS 107 -3.523 -22.997 -5.041 826 HZ1 LYS 107 1HZ LYS 107 -4.590 -25.593 -4.773 827 HZ2 LYS 107 2HZ LYS 107 -3.000 -25.071 -4.528 828 HZ3 LYS 107 3HZ LYS 107 -3.497 -25.575 -6.064 829 H ARG 108 H ARG 108 -5.304 -17.339 -3.397 830 HA ARG 108 HA ARG 108 -3.221 -16.776 -1.740 831 HB2 ARG 108 1HB ARG 108 -5.034 -15.193 -2.358 832 HB3 ARG 108 2HB ARG 108 -6.094 -15.999 -1.210 833 HG2 ARG 108 1HG ARG 108 -5.296 -14.064 -0.133 834 HG3 ARG 108 2HG ARG 108 -4.414 -15.419 0.574 835 HD2 ARG 108 1HD ARG 108 -2.504 -14.940 -0.859 836 HD3 ARG 108 2HD ARG 108 -3.389 -13.618 -1.618 837 HE ARG 108 HE ARG 108 -2.029 -13.561 0.899 838 HH11 ARG 108 2HH1 ARG 108 -4.662 -12.200 -0.927 839 HH12 ARG 108 1HH1 ARG 108 -4.681 -10.712 -0.039 840 HH21 ARG 108 2HH2 ARG 108 -2.045 -11.607 2.077 841 HH22 ARG 108 1HH2 ARG 108 -3.192 -10.376 1.669 842 H ILE 109 H ILE 109 -2.860 -16.869 0.522 843 HA ILE 109 HA ILE 109 -2.898 -19.193 1.798 844 HB ILE 109 HB ILE 109 -3.595 -16.625 3.226 845 HG12 ILE 109 1HG1 ILE 109 -0.923 -16.943 3.568 846 HG13 ILE 109 2HG1 ILE 109 -1.114 -17.605 1.948 847 HG21 ILE 109 1HG2 ILE 109 -3.131 -17.643 5.186 848 HG22 ILE 109 2HG2 ILE 109 -3.582 -19.093 4.291 849 HG23 ILE 109 3HG2 ILE 109 -1.881 -18.668 4.482 850 HD11 ILE 109 1HD1 ILE 109 -1.457 -14.830 2.921 851 HD12 ILE 109 2HD1 ILE 109 -0.735 -15.432 1.428 852 HD13 ILE 109 3HD1 ILE 109 -2.489 -15.376 1.600 853 H LYS 110 H LYS 110 -5.575 -16.868 2.197 854 HA LYS 110 HA LYS 110 -7.532 -18.960 2.170 855 HB2 LYS 110 1HB LYS 110 -6.752 -19.231 4.461 856 HB3 LYS 110 2HB LYS 110 -6.979 -17.515 4.768 857 HG2 LYS 110 1HG LYS 110 -9.297 -17.695 4.775 858 HG3 LYS 110 2HG LYS 110 -9.274 -19.242 3.925 859 HD2 LYS 110 1HD LYS 110 -9.700 -19.980 6.044 860 HD3 LYS 110 2HD LYS 110 -7.936 -19.994 6.082 861 HE2 LYS 110 1HE LYS 110 -8.358 -18.861 8.020 862 HE3 LYS 110 2HE LYS 110 -8.282 -17.507 6.894 863 HZ1 LYS 110 1HZ LYS 110 -10.438 -17.057 7.177 864 HZ2 LYS 110 2HZ LYS 110 -10.322 -17.993 8.580 865 HZ3 LYS 110 3HZ LYS 110 -10.901 -18.684 7.149 866 HA PRO 111 HA PRO 111 -9.693 -15.406 0.629 867 HB2 PRO 111 1HB PRO 111 -12.082 -16.635 0.236 868 HB3 PRO 111 2HB PRO 111 -10.698 -16.857 -0.842 869 HG2 PRO 111 1HG PRO 111 -11.682 -18.622 1.367 870 HG3 PRO 111 2HG PRO 111 -11.112 -19.068 -0.251 871 HD2 PRO 111 1HD PRO 111 -9.553 -19.283 1.952 872 HD3 PRO 111 2HD PRO 111 -8.892 -18.906 0.348 873 H LEU 112 H LEU 112 -12.006 -14.471 1.040 874 HA LEU 112 HA LEU 112 -13.173 -14.931 3.602 875 HB2 LEU 112 1HB LEU 112 -12.534 -13.007 4.763 876 HB3 LEU 112 2HB LEU 112 -11.036 -13.659 4.101 877 HG LEU 112 HG LEU 112 -11.577 -11.923 2.167 878 HD11 LEU 112 1HD1 LEU 112 -12.574 -10.330 4.472 879 HD12 LEU 112 2HD1 LEU 112 -13.711 -11.347 3.589 880 HD13 LEU 112 3HD1 LEU 112 -12.813 -10.088 2.742 881 HD21 LEU 112 1HD2 LEU 112 -10.176 -11.629 4.775 882 HD22 LEU 112 2HD2 LEU 112 -10.326 -10.213 3.734 883 HD23 LEU 112 3HD2 LEU 112 -9.522 -11.666 3.137 884 HA PRO 113 HA PRO 113 -16.566 -13.028 1.557 885 HB2 PRO 113 1HB PRO 113 -18.050 -12.265 3.698 886 HB3 PRO 113 2HB PRO 113 -17.892 -13.951 3.190 887 HG2 PRO 113 1HG PRO 113 -16.454 -12.486 5.369 888 HG3 PRO 113 2HG PRO 113 -17.149 -14.118 5.387 889 HD2 PRO 113 1HD PRO 113 -14.502 -13.664 5.040 890 HD3 PRO 113 2HD PRO 113 -15.343 -15.034 4.286 891 H THR 114 H THR 114 -16.528 -11.127 0.552 892 HA THR 114 HA THR 114 -15.420 -8.783 1.848 893 HB THR 114 HB THR 114 -14.846 -9.281 -0.500 894 HG1 THR 114 1HG THR 114 -16.160 -6.888 0.206 895 HG21 THR 114 1HG2 THR 114 -17.036 -8.358 -1.937 896 HG22 THR 114 2HG2 THR 114 -17.731 -9.452 -0.741 897 HG23 THR 114 3HG2 THR 114 -16.475 -10.026 -1.837 898 H LYS 115 H LYS 115 -16.503 -6.859 2.239 899 HA LYS 115 HA LYS 115 -19.430 -7.102 2.374 900 HB2 LYS 115 1HB LYS 115 -18.355 -6.754 4.532 901 HB3 LYS 115 2HB LYS 115 -17.535 -5.324 3.920 902 HG2 LYS 115 1HG LYS 115 -19.420 -4.033 4.004 903 HG3 LYS 115 2HG LYS 115 -20.505 -5.412 3.813 904 HD2 LYS 115 1HD LYS 115 -20.848 -4.971 6.027 905 HD3 LYS 115 2HD LYS 115 -19.478 -6.075 6.164 906 HE2 LYS 115 1HE LYS 115 -19.215 -3.076 6.038 907 HE3 LYS 115 2HE LYS 115 -19.301 -3.990 7.543 908 HZ1 LYS 115 1HZ LYS 115 -17.338 -5.283 6.631 909 HZ2 LYS 115 2HZ LYS 115 -17.035 -3.697 7.135 910 HZ3 LYS 115 3HZ LYS 115 -17.178 -4.048 5.486 911 H LYS 116 H LYS 116 -20.075 -6.371 0.390 912 HA LYS 116 HA LYS 116 -19.254 -3.640 -0.349 913 HB2 LYS 116 1HB LYS 116 -20.003 -6.031 -1.996 914 HB3 LYS 116 2HB LYS 116 -20.212 -4.413 -2.651 915 HG2 LYS 116 1HG LYS 116 -17.967 -4.026 -2.792 916 HG3 LYS 116 2HG LYS 116 -17.583 -5.123 -1.463 917 HD2 LYS 116 1HD LYS 116 -18.362 -6.991 -3.042 918 HD3 LYS 116 2HD LYS 116 -18.225 -5.783 -4.321 919 HE2 LYS 116 1HE LYS 116 -15.990 -6.482 -2.425 920 HE3 LYS 116 2HE LYS 116 -16.203 -7.233 -4.006 921 HZ1 LYS 116 1HZ LYS 116 -16.069 -4.982 -4.984 922 HZ2 LYS 116 2HZ LYS 116 -14.645 -5.454 -4.203 923 HZ3 LYS 116 3HZ LYS 116 -15.698 -4.361 -3.455 924 H THR 117 H THR 117 -20.740 -2.118 -0.105 925 HA THR 117 HA THR 117 -23.441 -2.750 0.586 926 HB THR 117 HB THR 117 -23.799 -0.327 0.675 927 HG1 THR 117 1HG THR 117 -21.097 0.037 -0.096 928 HG21 THR 117 1HG2 THR 117 -22.898 -1.122 2.676 929 HG22 THR 117 2HG2 THR 117 -21.824 0.211 2.251 930 HG23 THR 117 3HG2 THR 117 -21.327 -1.453 1.948 931 H GLY 118 H GLY 118 -21.902 -1.213 -2.231 932 HA2 GLY 118 1HA GLY 118 -23.035 -2.170 -4.351 933 HA3 GLY 118 2HA GLY 118 -24.462 -1.406 -3.667 934 H SER 119 H SER 119 -24.012 -0.531 -6.045 935 HA SER 119 HA SER 119 -22.076 1.480 -6.400 936 HB2 SER 119 1HB SER 119 -23.355 0.362 -8.240 937 HB3 SER 119 2HB SER 119 -24.773 1.295 -7.763 938 HG SER 119 HG SER 119 -22.308 2.259 -8.773 939 H GLY 120 H GLY 120 -21.998 2.942 -4.734 940 HA2 GLY 120 1HA GLY 120 -24.103 4.135 -3.395 941 HA3 GLY 120 2HA GLY 120 -22.531 4.884 -3.628 942 HA PRO 121 HA PRO 121 -25.963 7.217 -5.893 943 HB2 PRO 121 1HB PRO 121 -25.880 9.477 -4.392 944 HB3 PRO 121 2HB PRO 121 -26.932 8.109 -4.011 945 HG2 PRO 121 1HG PRO 121 -24.280 8.844 -2.834 946 HG3 PRO 121 2HG PRO 121 -25.748 8.278 -2.017 947 HD2 PRO 121 1HD PRO 121 -23.658 6.643 -2.553 948 HD3 PRO 121 2HD PRO 121 -25.338 6.070 -2.537 949 H SER 122 H SER 122 -25.418 8.482 -7.575 950 HA SER 122 HA SER 122 -22.858 8.981 -8.370 951 HB2 SER 122 1HB SER 122 -23.755 10.590 -9.958 952 HB3 SER 122 2HB SER 122 -24.872 9.234 -9.806 953 HG SER 122 HG SER 122 -25.139 11.645 -8.341 954 H SER 123 H SER 123 -24.898 11.031 -6.357 955 HA SER 123 HA SER 123 -22.514 12.570 -5.616 956 HB2 SER 123 1HB SER 123 -23.825 13.855 -7.317 957 HB3 SER 123 2HB SER 123 -25.193 13.849 -6.204 958 HG SER 123 HG SER 123 -23.694 14.870 -4.675 959 H GLY 124 H GLY 124 -22.602 13.533 -3.530 960 HA2 GLY 124 1HA GLY 124 -24.047 13.982 -1.549 961 HA3 GLY 124 2HA GLY 124 -24.699 12.370 -1.801 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -17.101 10.014 -8.218 2 HA2 GLY 1 1HA GLY 1 -16.784 12.888 -8.816 3 HA3 GLY 1 2HA GLY 1 -16.622 11.604 -10.005 4 H SER 2 H SER 2 -18.636 10.252 -10.322 5 HA SER 2 HA SER 2 -20.820 10.088 -10.939 6 HB2 SER 2 1HB SER 2 -21.141 10.670 -8.476 7 HB3 SER 2 2HB SER 2 -21.430 12.327 -9.007 8 HG SER 2 HG SER 2 -23.278 11.728 -9.941 9 H SER 3 H SER 3 -19.148 11.651 -12.506 10 HA SER 3 HA SER 3 -21.016 13.110 -14.042 11 HB2 SER 3 1HB SER 3 -20.176 15.372 -13.769 12 HB3 SER 3 2HB SER 3 -20.688 14.755 -12.198 13 HG SER 3 HG SER 3 -18.036 14.323 -12.885 14 H GLY 4 H GLY 4 -20.319 12.373 -15.944 15 HA2 GLY 4 1HA GLY 4 -18.039 13.303 -17.214 16 HA3 GLY 4 2HA GLY 4 -17.600 11.756 -16.506 17 H SER 5 H SER 5 -18.748 13.225 -19.233 18 HA SER 5 HA SER 5 -20.367 10.956 -20.108 19 HB2 SER 5 1HB SER 5 -19.815 13.660 -21.341 20 HB3 SER 5 2HB SER 5 -20.737 12.396 -22.154 21 HG SER 5 HG SER 5 -21.878 14.076 -20.796 22 H SER 6 H SER 6 -18.429 9.562 -20.046 23 HA SER 6 HA SER 6 -17.078 9.629 -22.643 24 HB2 SER 6 1HB SER 6 -15.679 9.321 -19.978 25 HB3 SER 6 2HB SER 6 -14.926 8.986 -21.536 26 HG SER 6 HG SER 6 -16.157 11.453 -21.295 27 H GLY 7 H GLY 7 -15.788 7.494 -22.925 28 HA2 GLY 7 1HA GLY 7 -17.646 5.336 -22.246 29 HA3 GLY 7 2HA GLY 7 -16.412 5.285 -23.496 30 H GLU 8 H GLU 8 -16.188 3.111 -22.347 31 HA GLU 8 HA GLU 8 -14.471 3.347 -19.975 32 HB2 GLU 8 1HB GLU 8 -15.987 0.995 -21.113 33 HB3 GLU 8 2HB GLU 8 -14.866 0.873 -19.764 34 HG2 GLU 8 1HG GLU 8 -16.272 2.539 -18.548 35 HG3 GLU 8 2HG GLU 8 -17.443 2.417 -19.860 36 H GLU 9 H GLU 9 -12.660 4.039 -21.272 37 HA GLU 9 HA GLU 9 -11.266 1.758 -22.482 38 HB2 GLU 9 1HB GLU 9 -11.502 4.528 -23.662 39 HB3 GLU 9 2HB GLU 9 -10.337 3.329 -24.208 40 HG2 GLU 9 1HG GLU 9 -12.457 1.832 -24.499 41 HG3 GLU 9 2HG GLU 9 -13.296 3.382 -24.532 42 HA PRO 10 HA PRO 10 -8.215 3.178 -19.569 43 HB2 PRO 10 1HB PRO 10 -6.348 1.305 -20.183 44 HB3 PRO 10 2HB PRO 10 -7.770 0.956 -19.193 45 HG2 PRO 10 1HG PRO 10 -7.309 0.420 -22.102 46 HG3 PRO 10 2HG PRO 10 -8.049 -0.625 -20.875 47 HD2 PRO 10 1HD PRO 10 -9.515 0.804 -22.647 48 HD3 PRO 10 2HD PRO 10 -10.082 0.452 -21.002 49 H SER 11 H SER 11 -7.763 5.176 -20.614 50 HA SER 11 HA SER 11 -6.171 5.373 -22.954 51 HB2 SER 11 1HB SER 11 -6.609 7.448 -20.792 52 HB3 SER 11 2HB SER 11 -6.025 7.754 -22.428 53 HG SER 11 HG SER 11 -8.119 8.104 -22.680 54 H GLY 12 H GLY 12 -5.400 5.922 -19.513 55 HA2 GLY 12 1HA GLY 12 -2.637 5.109 -20.091 56 HA3 GLY 12 2HA GLY 12 -2.915 6.658 -19.308 57 H VAL 13 H VAL 13 -1.533 5.682 -17.628 58 HA VAL 13 HA VAL 13 -2.218 3.452 -16.113 59 HB VAL 13 HB VAL 13 -0.844 5.981 -15.196 60 HG11 VAL 13 1HG1 VAL 13 -0.531 5.085 -13.171 61 HG12 VAL 13 2HG1 VAL 13 -1.853 3.995 -13.592 62 HG13 VAL 13 3HG1 VAL 13 -0.181 3.489 -13.833 63 HG21 VAL 13 1HG2 VAL 13 0.814 3.640 -15.538 64 HG22 VAL 13 2HG2 VAL 13 -0.019 4.061 -17.035 65 HG23 VAL 13 3HG2 VAL 13 0.993 5.255 -16.224 66 H GLU 14 H GLU 14 -3.190 6.839 -15.712 67 HA GLU 14 HA GLU 14 -4.526 6.729 -13.320 68 HB2 GLU 14 1HB GLU 14 -5.020 8.292 -15.831 69 HB3 GLU 14 2HB GLU 14 -6.128 8.438 -14.474 70 HG2 GLU 14 1HG GLU 14 -4.594 9.492 -13.149 71 HG3 GLU 14 2HG GLU 14 -3.218 8.758 -13.970 72 H GLY 15 H GLY 15 -5.888 6.004 -16.533 73 HA2 GLY 15 1HA GLY 15 -8.467 5.479 -16.093 74 HA3 GLY 15 2HA GLY 15 -7.483 4.391 -17.060 75 H ALA 16 H ALA 16 -5.894 3.189 -15.202 76 HA ALA 16 HA ALA 16 -7.274 1.057 -14.289 77 HB1 ALA 16 1HB ALA 16 -5.102 2.175 -12.557 78 HB2 ALA 16 2HB ALA 16 -5.447 0.496 -12.971 79 HB3 ALA 16 3HB ALA 16 -4.746 1.574 -14.177 80 H ALA 17 H ALA 17 -6.529 3.892 -12.251 81 HA ALA 17 HA ALA 17 -7.677 3.353 -9.911 82 HB1 ALA 17 1HB ALA 17 -8.383 5.706 -9.732 83 HB2 ALA 17 2HB ALA 17 -6.762 5.537 -10.406 84 HB3 ALA 17 3HB ALA 17 -8.125 5.898 -11.466 85 H PHE 18 H PHE 18 -9.459 3.955 -12.886 86 HA PHE 18 HA PHE 18 -12.012 4.337 -12.113 87 HB2 PHE 18 1HB PHE 18 -11.672 4.165 -14.424 88 HB3 PHE 18 2HB PHE 18 -10.889 2.594 -14.288 89 HD1 PHE 18 2HD PHE 18 -14.185 4.208 -13.626 90 HD2 PHE 18 1HD PHE 18 -12.084 0.725 -14.879 91 HE1 PHE 18 2HE PHE 18 -16.325 3.103 -14.133 92 HE2 PHE 18 1HE PHE 18 -14.220 -0.385 -15.389 93 HZ PHE 18 HZ PHE 18 -16.344 0.804 -15.015 94 H GLN 19 H GLN 19 -10.550 1.096 -12.400 95 HA GLN 19 HA GLN 19 -12.580 -0.491 -11.557 96 HB2 GLN 19 1HB GLN 19 -10.967 -2.092 -10.847 97 HB3 GLN 19 2HB GLN 19 -10.252 -1.212 -12.192 98 HG2 GLN 19 1HG GLN 19 -8.846 0.029 -10.750 99 HG3 GLN 19 2HG GLN 19 -9.712 -0.526 -9.319 100 HE21 GLN 19 1HE2 GLN 19 -9.145 -2.410 -8.383 101 HE22 GLN 19 2HE2 GLN 19 -7.871 -3.433 -8.944 102 H SER 20 H SER 20 -10.513 1.511 -9.520 103 HA SER 20 HA SER 20 -11.946 0.643 -7.128 104 HB2 SER 20 1HB SER 20 -9.490 2.346 -7.551 105 HB3 SER 20 2HB SER 20 -10.261 2.172 -5.975 106 HG SER 20 HG SER 20 -8.725 0.606 -6.062 107 H ARG 21 H ARG 21 -13.258 1.945 -5.921 108 HA ARG 21 HA ARG 21 -14.368 4.247 -7.269 109 HB2 ARG 21 1HB ARG 21 -15.075 2.770 -4.741 110 HB3 ARG 21 2HB ARG 21 -15.872 4.271 -5.194 111 HG2 ARG 21 1HG ARG 21 -16.293 3.027 -7.451 112 HG3 ARG 21 2HG ARG 21 -16.022 1.585 -6.471 113 HD2 ARG 21 1HD ARG 21 -17.740 2.535 -4.863 114 HD3 ARG 21 2HD ARG 21 -18.128 3.703 -6.125 115 HE ARG 21 HE ARG 21 -18.824 0.911 -6.067 116 HH11 ARG 21 2HH1 ARG 21 -18.327 3.711 -8.076 117 HH12 ARG 21 1HH1 ARG 21 -19.330 3.127 -9.362 118 HH21 ARG 21 2HH2 ARG 21 -20.147 0.132 -7.755 119 HH22 ARG 21 1HH2 ARG 21 -20.365 1.092 -9.178 120 H LEU 22 H LEU 22 -11.710 4.679 -6.544 121 HA LEU 22 HA LEU 22 -12.032 6.809 -4.543 122 HB2 LEU 22 1HB LEU 22 -9.837 6.353 -3.654 123 HB3 LEU 22 2HB LEU 22 -10.848 4.914 -3.539 124 HG LEU 22 HG LEU 22 -9.628 4.316 -5.813 125 HD11 LEU 22 1HD1 LEU 22 -7.350 5.069 -5.879 126 HD12 LEU 22 2HD1 LEU 22 -7.566 5.994 -4.394 127 HD13 LEU 22 3HD1 LEU 22 -8.411 6.477 -5.864 128 HD21 LEU 22 1HD2 LEU 22 -7.687 3.600 -3.964 129 HD22 LEU 22 2HD2 LEU 22 -9.120 2.671 -4.404 130 HD23 LEU 22 3HD2 LEU 22 -9.164 3.754 -3.012 131 HA PRO 23 HA PRO 23 -10.230 9.488 -7.520 132 HB2 PRO 23 1HB PRO 23 -9.004 11.292 -5.903 133 HB3 PRO 23 2HB PRO 23 -10.759 11.215 -6.100 134 HG2 PRO 23 1HG PRO 23 -9.049 10.108 -3.906 135 HG3 PRO 23 2HG PRO 23 -10.598 10.964 -3.793 136 HD2 PRO 23 1HD PRO 23 -10.405 8.269 -3.611 137 HD3 PRO 23 2HD PRO 23 -11.819 9.079 -4.314 138 H HIS 24 H HIS 24 -8.367 9.745 -8.665 139 HA HIS 24 HA HIS 24 -6.025 8.296 -7.694 140 HB2 HIS 24 1HB HIS 24 -5.242 8.364 -9.995 141 HB3 HIS 24 2HB HIS 24 -6.906 7.787 -9.951 142 HD1 HIS 24 1HD HIS 24 -8.656 9.161 -11.166 143 HD2 HIS 24 2HD HIS 24 -4.925 10.986 -11.068 144 HE1 HIS 24 1HE HIS 24 -8.819 11.110 -12.748 145 HE2 HIS 24 2HE HIS 24 -6.525 12.148 -12.736 146 H ASP 25 H ASP 25 -7.124 11.510 -8.311 147 HA ASP 25 HA ASP 25 -4.477 12.668 -8.378 148 HB2 ASP 25 1HB ASP 25 -5.540 14.742 -8.730 149 HB3 ASP 25 2HB ASP 25 -6.554 13.577 -9.577 150 H ARG 26 H ARG 26 -6.824 11.841 -6.005 151 HA ARG 26 HA ARG 26 -5.133 13.063 -3.940 152 HB2 ARG 26 1HB ARG 26 -7.268 13.567 -2.661 153 HB3 ARG 26 2HB ARG 26 -6.933 14.593 -4.049 154 HG2 ARG 26 1HG ARG 26 -8.477 13.158 -5.385 155 HG3 ARG 26 2HG ARG 26 -8.905 12.328 -3.887 156 HD2 ARG 26 1HD ARG 26 -9.478 14.631 -2.966 157 HD3 ARG 26 2HD ARG 26 -9.373 15.203 -4.631 158 HE ARG 26 HE ARG 26 -11.075 13.088 -4.771 159 HH11 ARG 26 2HH1 ARG 26 -10.966 16.001 -2.868 160 HH12 ARG 26 1HH1 ARG 26 -12.688 16.124 -2.720 161 HH21 ARG 26 2HH2 ARG 26 -13.344 13.239 -4.584 162 HH22 ARG 26 1HH2 ARG 26 -14.039 14.553 -3.696 163 H MET 27 H MET 27 -5.540 12.122 -1.763 164 HA MET 27 HA MET 27 -5.977 9.240 -2.025 165 HB2 MET 27 1HB MET 27 -4.790 10.769 0.295 166 HB3 MET 27 2HB MET 27 -4.780 9.025 0.072 167 HG2 MET 27 1HG MET 27 -3.249 9.158 -1.710 168 HG3 MET 27 2HG MET 27 -3.471 10.899 -1.869 169 HE1 MET 27 1HE MET 27 -2.270 9.196 2.009 170 HE2 MET 27 2HE MET 27 -2.963 8.289 0.664 171 HE3 MET 27 3HE MET 27 -1.214 8.330 0.892 172 H THR 28 H THR 28 -7.044 8.126 -0.175 173 HA THR 28 HA THR 28 -9.354 9.704 0.746 174 HB THR 28 HB THR 28 -10.601 7.602 0.885 175 HG1 THR 28 1HG THR 28 -9.665 5.688 0.497 176 HG21 THR 28 1HG2 THR 28 -9.884 8.937 -1.427 177 HG22 THR 28 2HG2 THR 28 -11.191 7.763 -1.269 178 HG23 THR 28 3HG2 THR 28 -9.601 7.243 -1.825 179 H SER 29 H SER 29 -10.385 8.633 2.776 180 HA SER 29 HA SER 29 -8.790 9.073 4.960 181 HB2 SER 29 1HB SER 29 -11.384 8.580 4.716 182 HB3 SER 29 2HB SER 29 -10.888 6.959 5.200 183 HG SER 29 HG SER 29 -10.149 9.289 6.630 184 H GLN 30 H GLN 30 -9.275 6.050 3.214 185 HA GLN 30 HA GLN 30 -7.876 4.387 5.022 186 HB2 GLN 30 1HB GLN 30 -9.454 3.786 3.029 187 HB3 GLN 30 2HB GLN 30 -7.975 3.832 2.078 188 HG2 GLN 30 1HG GLN 30 -7.128 1.956 3.040 189 HG3 GLN 30 2HG GLN 30 -7.956 2.232 4.572 190 HE21 GLN 30 1HE2 GLN 30 -9.450 2.264 1.401 191 HE22 GLN 30 2HE2 GLN 30 -10.433 0.864 1.641 192 H GLU 31 H GLU 31 -6.810 5.331 1.753 193 HA GLU 31 HA GLU 31 -4.170 4.628 1.972 194 HB2 GLU 31 1HB GLU 31 -5.428 6.915 0.459 195 HB3 GLU 31 2HB GLU 31 -3.737 6.469 0.282 196 HG2 GLU 31 1HG GLU 31 -4.807 5.416 -1.494 197 HG3 GLU 31 2HG GLU 31 -4.583 4.140 -0.299 198 H ALA 32 H ALA 32 -5.726 7.572 3.110 199 HA ALA 32 HA ALA 32 -3.381 8.994 3.777 200 HB1 ALA 32 1HB ALA 32 -4.806 10.460 5.030 201 HB2 ALA 32 2HB ALA 32 -5.643 9.999 3.547 202 HB3 ALA 32 3HB ALA 32 -6.086 9.248 5.080 203 H ALA 33 H ALA 33 -5.391 6.720 5.580 204 HA ALA 33 HA ALA 33 -4.041 7.072 8.065 205 HB1 ALA 33 1HB ALA 33 -6.205 5.437 7.027 206 HB2 ALA 33 2HB ALA 33 -5.179 4.560 8.164 207 HB3 ALA 33 3HB ALA 33 -5.944 6.072 8.652 208 H CYS 34 H CYS 34 -3.720 4.801 5.379 209 HA CYS 34 HA CYS 34 -1.768 3.165 6.669 210 HB2 CYS 34 1HB CYS 34 -2.937 3.366 3.941 211 HB3 CYS 34 2HB CYS 34 -1.374 2.572 4.090 212 HG CYS 34 HG CYS 34 -4.139 1.633 5.871 213 H PHE 35 H PHE 35 -1.638 5.832 4.352 214 HA PHE 35 HA PHE 35 1.273 5.965 4.791 215 HB2 PHE 35 1HB PHE 35 -0.206 6.902 2.326 216 HB3 PHE 35 2HB PHE 35 1.538 6.845 2.556 217 HD1 PHE 35 2HD PHE 35 -1.472 4.673 2.417 218 HD2 PHE 35 1HD PHE 35 2.742 4.976 1.899 219 HE1 PHE 35 2HE PHE 35 -1.428 2.401 1.474 220 HE2 PHE 35 1HE PHE 35 2.792 2.705 0.954 221 HZ PHE 35 HZ PHE 35 0.706 1.413 0.742 222 HA PRO 36 HA PRO 36 -0.449 9.819 6.581 223 HB2 PRO 36 1HB PRO 36 1.462 10.024 8.499 224 HB3 PRO 36 2HB PRO 36 0.015 9.027 8.688 225 HG2 PRO 36 1HG PRO 36 2.789 8.211 7.913 226 HG3 PRO 36 2HG PRO 36 1.661 7.421 9.030 227 HD2 PRO 36 1HD PRO 36 2.038 6.562 6.490 228 HD3 PRO 36 2HD PRO 36 0.478 6.419 7.325 229 H ASP 37 H ASP 37 2.970 9.027 5.994 230 HA ASP 37 HA ASP 37 3.925 11.653 5.814 231 HB2 ASP 37 1HB ASP 37 4.882 8.997 4.830 232 HB3 ASP 37 2HB ASP 37 5.677 10.455 4.242 233 H ILE 38 H ILE 38 2.458 9.543 3.409 234 HA ILE 38 HA ILE 38 3.007 11.173 1.157 235 HB ILE 38 HB ILE 38 0.787 9.163 1.555 236 HG12 ILE 38 1HG1 ILE 38 3.027 8.196 1.835 237 HG13 ILE 38 2HG1 ILE 38 2.269 7.618 0.356 238 HG21 ILE 38 1HG2 ILE 38 0.301 9.278 -0.687 239 HG22 ILE 38 2HG2 ILE 38 0.694 10.963 -0.345 240 HG23 ILE 38 3HG2 ILE 38 1.890 9.916 -1.109 241 HD11 ILE 38 1HD1 ILE 38 4.785 8.833 0.667 242 HD12 ILE 38 2HD1 ILE 38 3.999 8.314 -0.824 243 HD13 ILE 38 3HD1 ILE 38 3.774 9.961 -0.236 244 H ILE 39 H ILE 39 0.010 10.731 3.042 245 HA ILE 39 HA ILE 39 -1.442 12.759 1.736 246 HB ILE 39 HB ILE 39 -2.537 11.021 3.068 247 HG12 ILE 39 1HG1 ILE 39 -4.051 12.582 4.417 248 HG13 ILE 39 2HG1 ILE 39 -2.993 13.886 3.891 249 HG21 ILE 39 1HG2 ILE 39 -1.209 10.600 4.909 250 HG22 ILE 39 2HG2 ILE 39 -1.015 12.310 5.291 251 HG23 ILE 39 3HG2 ILE 39 -2.546 11.500 5.624 252 HD11 ILE 39 1HD1 ILE 39 -3.482 13.048 1.518 253 HD12 ILE 39 2HD1 ILE 39 -4.824 12.177 2.261 254 HD13 ILE 39 3HD1 ILE 39 -4.743 13.935 2.374 255 H SER 40 H SER 40 0.872 12.836 4.328 256 HA SER 40 HA SER 40 0.266 15.660 4.854 257 HB2 SER 40 1HB SER 40 0.463 13.981 6.760 258 HB3 SER 40 2HB SER 40 2.188 13.917 6.400 259 HG SER 40 HG SER 40 1.059 16.440 6.700 260 H GLY 41 H GLY 41 1.587 14.776 2.421 261 HA2 GLY 41 1HA GLY 41 4.191 16.119 2.812 262 HA3 GLY 41 2HA GLY 41 3.989 14.760 1.716 263 HA PRO 42 HA PRO 42 3.486 18.804 -0.593 264 HB2 PRO 42 1HB PRO 42 5.435 18.323 -2.421 265 HB3 PRO 42 2HB PRO 42 5.747 19.109 -0.868 266 HG2 PRO 42 1HG PRO 42 6.168 16.254 -1.665 267 HG3 PRO 42 2HG PRO 42 7.225 17.320 -0.721 268 HD2 PRO 42 1HD PRO 42 5.627 15.462 0.431 269 HD3 PRO 42 2HD PRO 42 6.024 17.002 1.220 270 H GLN 43 H GLN 43 2.350 19.020 -2.486 271 HA GLN 43 HA GLN 43 0.689 17.159 -3.447 272 HB2 GLN 43 1HB GLN 43 0.972 19.614 -4.170 273 HB3 GLN 43 2HB GLN 43 2.064 18.989 -5.399 274 HG2 GLN 43 1HG GLN 43 0.112 19.053 -6.571 275 HG3 GLN 43 2HG GLN 43 0.052 17.406 -5.943 276 HE21 GLN 43 1HE2 GLN 43 -2.111 19.183 -6.777 277 HE22 GLN 43 2HE2 GLN 43 -3.161 19.329 -5.413 278 H GLN 44 H GLN 44 4.005 17.625 -4.617 279 HA GLN 44 HA GLN 44 4.020 15.752 -6.661 280 HB2 GLN 44 1HB GLN 44 5.845 17.428 -5.917 281 HB3 GLN 44 2HB GLN 44 6.390 16.137 -4.853 282 HG2 GLN 44 1HG GLN 44 6.736 14.678 -6.757 283 HG3 GLN 44 2HG GLN 44 6.125 15.924 -7.843 284 HE21 GLN 44 1HE2 GLN 44 8.822 14.488 -7.172 285 HE22 GLN 44 2HE2 GLN 44 9.959 15.786 -7.251 286 H THR 45 H THR 45 5.150 15.239 -3.315 287 HA THR 45 HA THR 45 5.698 12.559 -3.415 288 HB THR 45 HB THR 45 4.423 14.058 -1.119 289 HG1 THR 45 1HG THR 45 7.144 13.349 -1.291 290 HG21 THR 45 1HG2 THR 45 4.839 11.295 -1.394 291 HG22 THR 45 2HG2 THR 45 4.456 12.180 0.082 292 HG23 THR 45 3HG2 THR 45 6.138 11.880 -0.354 293 H GLN 46 H GLN 46 2.552 14.000 -2.551 294 HA GLN 46 HA GLN 46 1.102 11.688 -2.169 295 HB2 GLN 46 1HB GLN 46 0.252 14.345 -3.317 296 HB3 GLN 46 2HB GLN 46 -0.886 13.059 -2.939 297 HG2 GLN 46 1HG GLN 46 -0.125 13.116 -0.595 298 HG3 GLN 46 2HG GLN 46 0.933 14.467 -0.999 299 HE21 GLN 46 1HE2 GLN 46 -0.684 15.031 0.933 300 HE22 GLN 46 2HE2 GLN 46 -2.034 15.986 0.432 301 H LYS 47 H LYS 47 1.575 13.460 -5.216 302 HA LYS 47 HA LYS 47 0.072 11.738 -6.842 303 HB2 LYS 47 1HB LYS 47 2.345 13.625 -7.427 304 HB3 LYS 47 2HB LYS 47 1.570 12.686 -8.696 305 HG2 LYS 47 1HG LYS 47 -0.596 13.713 -8.063 306 HG3 LYS 47 2HG LYS 47 0.270 14.733 -6.912 307 HD2 LYS 47 1HD LYS 47 0.916 14.640 -9.853 308 HD3 LYS 47 2HD LYS 47 -0.223 15.789 -9.147 309 HE2 LYS 47 1HE LYS 47 1.540 16.664 -7.707 310 HE3 LYS 47 2HE LYS 47 2.678 15.491 -8.369 311 HZ1 LYS 47 1HZ LYS 47 1.841 16.656 -10.599 312 HZ2 LYS 47 2HZ LYS 47 3.175 17.207 -9.717 313 HZ3 LYS 47 3HZ LYS 47 1.670 17.957 -9.531 314 H VAL 48 H VAL 48 3.535 11.767 -6.067 315 HA VAL 48 HA VAL 48 4.422 9.746 -7.723 316 HB VAL 48 HB VAL 48 5.313 10.369 -4.905 317 HG11 VAL 48 1HG1 VAL 48 6.083 8.242 -6.702 318 HG12 VAL 48 2HG1 VAL 48 7.450 9.290 -6.322 319 HG13 VAL 48 3HG1 VAL 48 6.542 8.517 -5.022 320 HG21 VAL 48 1HG2 VAL 48 5.850 11.532 -7.556 321 HG22 VAL 48 2HG2 VAL 48 5.935 12.267 -5.955 322 HG23 VAL 48 3HG2 VAL 48 7.267 11.270 -6.539 323 H PHE 49 H PHE 49 2.896 9.473 -4.540 324 HA PHE 49 HA PHE 49 3.091 6.600 -4.517 325 HB2 PHE 49 1HB PHE 49 3.100 7.354 -2.349 326 HB3 PHE 49 2HB PHE 49 2.010 8.692 -2.696 327 HD1 PHE 49 1HD PHE 49 -0.441 8.190 -3.032 328 HD2 PHE 49 2HD PHE 49 2.305 5.356 -1.437 329 HE1 PHE 49 1HE PHE 49 -2.318 6.907 -2.092 330 HE2 PHE 49 2HE PHE 49 0.432 4.067 -0.495 331 HZ PHE 49 HZ PHE 49 -1.882 4.842 -0.823 332 H LEU 50 H LEU 50 0.579 9.004 -5.131 333 HA LEU 50 HA LEU 50 -1.589 7.221 -5.343 334 HB2 LEU 50 1HB LEU 50 -1.027 10.007 -6.187 335 HB3 LEU 50 2HB LEU 50 -2.379 9.185 -6.963 336 HG LEU 50 HG LEU 50 -2.095 9.498 -3.978 337 HD11 LEU 50 1HD1 LEU 50 -2.305 11.659 -5.307 338 HD12 LEU 50 2HD1 LEU 50 -3.510 11.365 -4.054 339 HD13 LEU 50 3HD1 LEU 50 -3.917 11.097 -5.748 340 HD21 LEU 50 1HD2 LEU 50 -3.536 7.650 -5.097 341 HD22 LEU 50 2HD2 LEU 50 -4.624 8.982 -5.487 342 HD23 LEU 50 3HD2 LEU 50 -4.230 8.629 -3.804 343 H PHE 51 H PHE 51 1.093 7.692 -7.352 344 HA PHE 51 HA PHE 51 -0.271 6.734 -9.750 345 HB2 PHE 51 1HB PHE 51 1.246 8.494 -10.222 346 HB3 PHE 51 2HB PHE 51 2.509 7.776 -9.228 347 HD1 PHE 51 1HD PHE 51 3.562 5.612 -10.009 348 HD2 PHE 51 2HD PHE 51 1.101 8.028 -12.503 349 HE1 PHE 51 1HE PHE 51 4.502 4.510 -11.999 350 HE2 PHE 51 2HE PHE 51 2.036 6.929 -14.496 351 HZ PHE 51 HZ PHE 51 3.738 5.167 -14.245 352 H ILE 52 H ILE 52 2.175 5.739 -7.418 353 HA ILE 52 HA ILE 52 3.044 3.398 -8.674 354 HB ILE 52 HB ILE 52 2.850 4.050 -5.734 355 HG12 ILE 52 1HG1 ILE 52 5.392 3.885 -7.301 356 HG13 ILE 52 2HG1 ILE 52 4.382 5.316 -7.474 357 HG21 ILE 52 1HG2 ILE 52 4.853 2.130 -6.190 358 HG22 ILE 52 2HG2 ILE 52 3.349 1.935 -5.290 359 HG23 ILE 52 3HG2 ILE 52 3.403 1.550 -7.010 360 HD11 ILE 52 1HD1 ILE 52 6.310 5.163 -5.680 361 HD12 ILE 52 2HD1 ILE 52 4.811 6.040 -5.366 362 HD13 ILE 52 3HD1 ILE 52 5.030 4.410 -4.729 363 H ARG 53 H ARG 53 0.368 3.933 -6.410 364 HA ARG 53 HA ARG 53 -0.408 1.216 -6.229 365 HB2 ARG 53 1HB ARG 53 -1.161 2.646 -4.505 366 HB3 ARG 53 2HB ARG 53 -1.818 3.811 -5.647 367 HG2 ARG 53 1HG ARG 53 -2.955 1.072 -5.663 368 HG3 ARG 53 2HG ARG 53 -3.354 2.128 -4.306 369 HD2 ARG 53 1HD ARG 53 -3.692 2.881 -7.205 370 HD3 ARG 53 2HD ARG 53 -4.979 2.227 -6.194 371 HE ARG 53 HE ARG 53 -4.079 4.910 -6.253 372 HH11 ARG 53 2HH1 ARG 53 -5.212 2.443 -4.074 373 HH12 ARG 53 1HH1 ARG 53 -5.857 3.569 -2.926 374 HH21 ARG 53 2HH2 ARG 53 -4.924 6.403 -4.750 375 HH22 ARG 53 1HH2 ARG 53 -5.692 5.821 -3.312 376 H ASN 54 H ASN 54 -1.335 3.859 -8.366 377 HA ASN 54 HA ASN 54 -3.435 2.388 -9.648 378 HB2 ASN 54 1HB ASN 54 -2.139 5.042 -10.013 379 HB3 ASN 54 2HB ASN 54 -2.970 4.353 -11.404 380 HD21 ASN 54 1HD2 ASN 54 -3.756 6.708 -10.139 381 HD22 ASN 54 2HD2 ASN 54 -5.303 6.453 -9.413 382 H ARG 55 H ARG 55 -0.018 2.845 -10.154 383 HA ARG 55 HA ARG 55 -0.026 1.770 -12.826 384 HB2 ARG 55 1HB ARG 55 1.685 3.398 -11.596 385 HB3 ARG 55 2HB ARG 55 2.468 1.873 -11.202 386 HG2 ARG 55 1HG ARG 55 1.882 2.968 -13.942 387 HG3 ARG 55 2HG ARG 55 3.462 2.744 -13.188 388 HD2 ARG 55 1HD ARG 55 2.621 0.242 -13.018 389 HD3 ARG 55 2HD ARG 55 1.614 0.740 -14.377 390 HE ARG 55 HE ARG 55 3.500 0.886 -15.699 391 HH11 ARG 55 2HH1 ARG 55 4.397 0.393 -12.371 392 HH12 ARG 55 1HH1 ARG 55 6.057 0.054 -12.733 393 HH21 ARG 55 2HH2 ARG 55 5.683 0.442 -16.188 394 HH22 ARG 55 1HH2 ARG 55 6.788 0.083 -14.904 395 H THR 56 H THR 56 0.847 0.614 -9.596 396 HA THR 56 HA THR 56 1.937 -1.845 -10.237 397 HB THR 56 HB THR 56 0.222 -1.111 -7.859 398 HG1 THR 56 1HG THR 56 2.030 0.006 -7.568 399 HG21 THR 56 1HG2 THR 56 0.871 -3.091 -6.790 400 HG22 THR 56 2HG2 THR 56 2.145 -3.416 -7.966 401 HG23 THR 56 3HG2 THR 56 0.453 -3.612 -8.422 402 H LEU 57 H LEU 57 -1.457 -0.918 -9.964 403 HA LEU 57 HA LEU 57 -2.501 -3.547 -10.236 404 HB2 LEU 57 1HB LEU 57 -3.591 -0.787 -10.344 405 HB3 LEU 57 2HB LEU 57 -4.559 -2.081 -11.047 406 HG LEU 57 HG LEU 57 -3.535 -2.260 -8.232 407 HD11 LEU 57 1HD1 LEU 57 -4.877 -0.638 -7.546 408 HD12 LEU 57 2HD1 LEU 57 -6.257 -1.483 -8.247 409 HD13 LEU 57 3HD1 LEU 57 -5.358 -0.311 -9.211 410 HD21 LEU 57 1HD2 LEU 57 -5.435 -3.712 -9.962 411 HD22 LEU 57 2HD2 LEU 57 -5.930 -3.474 -8.286 412 HD23 LEU 57 3HD2 LEU 57 -4.413 -4.299 -8.649 413 H GLN 58 H GLN 58 -1.907 -0.906 -12.518 414 HA GLN 58 HA GLN 58 -3.085 -1.858 -14.795 415 HB2 GLN 58 1HB GLN 58 -0.635 -0.242 -14.281 416 HB3 GLN 58 2HB GLN 58 -0.901 -0.835 -15.915 417 HG2 GLN 58 1HG GLN 58 -2.930 0.752 -14.364 418 HG3 GLN 58 2HG GLN 58 -1.755 1.466 -15.467 419 HE21 GLN 58 1HE2 GLN 58 -1.947 1.088 -17.682 420 HE22 GLN 58 2HE2 GLN 58 -3.416 0.514 -18.386 421 H LEU 59 H LEU 59 0.295 -2.516 -13.854 422 HA LEU 59 HA LEU 59 0.879 -4.342 -15.862 423 HB2 LEU 59 1HB LEU 59 1.936 -4.471 -13.046 424 HB3 LEU 59 2HB LEU 59 2.716 -5.064 -14.511 425 HG LEU 59 HG LEU 59 2.145 -2.144 -14.087 426 HD11 LEU 59 1HD1 LEU 59 4.806 -3.377 -13.503 427 HD12 LEU 59 2HD1 LEU 59 3.570 -3.281 -12.250 428 HD13 LEU 59 3HD1 LEU 59 4.166 -1.808 -13.014 429 HD21 LEU 59 1HD2 LEU 59 2.739 -3.208 -16.356 430 HD22 LEU 59 2HD2 LEU 59 4.358 -3.390 -15.680 431 HD23 LEU 59 3HD2 LEU 59 3.641 -1.785 -15.833 432 H TRP 60 H TRP 60 -0.717 -4.821 -12.766 433 HA TRP 60 HA TRP 60 -0.730 -7.670 -12.893 434 HB2 TRP 60 1HB TRP 60 -1.032 -6.985 -10.723 435 HB3 TRP 60 2HB TRP 60 -2.007 -5.593 -11.184 436 HD1 TRP 60 HD TRP 60 -4.615 -5.897 -11.246 437 HE1 TRP 60 1HE TRP 60 -6.192 -7.802 -10.535 438 HE3 TRP 60 3HE TRP 60 -1.165 -9.619 -10.625 439 HZ2 TRP 60 2HZ TRP 60 -6.000 -10.523 -9.806 440 HZ3 TRP 60 3HZ TRP 60 -1.944 -11.844 -9.919 441 HH2 TRP 60 HH TRP 60 -4.312 -12.284 -9.518 442 H LEU 61 H LEU 61 -2.869 -5.138 -14.016 443 HA LEU 61 HA LEU 61 -5.027 -6.935 -14.651 444 HB2 LEU 61 1HB LEU 61 -4.483 -4.031 -15.010 445 HB3 LEU 61 2HB LEU 61 -5.728 -4.784 -16.004 446 HG LEU 61 HG LEU 61 -5.718 -4.860 -12.990 447 HD11 LEU 61 1HD1 LEU 61 -6.173 -2.666 -13.164 448 HD12 LEU 61 2HD1 LEU 61 -7.770 -3.231 -13.653 449 HD13 LEU 61 3HD1 LEU 61 -6.583 -2.777 -14.876 450 HD21 LEU 61 1HD2 LEU 61 -8.204 -5.293 -13.516 451 HD22 LEU 61 2HD2 LEU 61 -7.053 -6.613 -13.726 452 HD23 LEU 61 3HD2 LEU 61 -7.632 -5.715 -15.130 453 H ASP 62 H ASP 62 -2.180 -5.782 -16.211 454 HA ASP 62 HA ASP 62 -3.113 -6.532 -18.865 455 HB2 ASP 62 1HB ASP 62 -0.633 -5.216 -17.800 456 HB3 ASP 62 2HB ASP 62 -0.653 -5.889 -19.428 457 H ASN 63 H ASN 63 -1.122 -7.758 -16.288 458 HA ASN 63 HA ASN 63 -0.725 -10.225 -17.833 459 HB2 ASN 63 1HB ASN 63 1.348 -8.612 -17.567 460 HB3 ASN 63 2HB ASN 63 1.427 -9.328 -15.960 461 HD21 ASN 63 1HD2 ASN 63 0.697 -11.899 -16.423 462 HD22 ASN 63 2HD2 ASN 63 1.855 -12.669 -17.449 463 HA PRO 64 HA PRO 64 -2.384 -10.747 -13.425 464 HB2 PRO 64 1HB PRO 64 -4.862 -11.630 -14.097 465 HB3 PRO 64 2HB PRO 64 -4.485 -9.921 -13.851 466 HG2 PRO 64 1HG PRO 64 -4.715 -11.461 -16.408 467 HG3 PRO 64 2HG PRO 64 -5.327 -9.843 -16.018 468 HD2 PRO 64 1HD PRO 64 -3.054 -10.238 -17.436 469 HD3 PRO 64 2HD PRO 64 -3.275 -8.849 -16.353 470 H LYS 65 H LYS 65 -1.976 -12.546 -16.292 471 HA LYS 65 HA LYS 65 -2.811 -15.101 -15.427 472 HB2 LYS 65 1HB LYS 65 -1.330 -15.940 -17.255 473 HB3 LYS 65 2HB LYS 65 -2.469 -14.702 -17.770 474 HG2 LYS 65 1HG LYS 65 -0.839 -13.165 -18.165 475 HG3 LYS 65 2HG LYS 65 0.238 -13.825 -16.932 476 HD2 LYS 65 1HD LYS 65 1.113 -15.396 -18.343 477 HD3 LYS 65 2HD LYS 65 -0.363 -15.513 -19.304 478 HE2 LYS 65 1HE LYS 65 0.958 -14.402 -20.792 479 HE3 LYS 65 2HE LYS 65 0.283 -13.023 -19.926 480 HZ1 LYS 65 1HZ LYS 65 2.290 -12.447 -19.221 481 HZ2 LYS 65 2HZ LYS 65 2.944 -13.612 -20.257 482 HZ3 LYS 65 3HZ LYS 65 2.624 -14.002 -18.643 483 H ILE 66 H ILE 66 -0.334 -13.166 -14.317 484 HA ILE 66 HA ILE 66 0.926 -15.457 -12.996 485 HB ILE 66 HB ILE 66 3.149 -14.698 -13.391 486 HG12 ILE 66 1HG1 ILE 66 2.049 -12.391 -15.001 487 HG13 ILE 66 2HG1 ILE 66 2.515 -12.245 -13.310 488 HG21 ILE 66 1HG2 ILE 66 3.064 -14.534 -16.025 489 HG22 ILE 66 2HG2 ILE 66 2.671 -16.031 -15.182 490 HG23 ILE 66 3HG2 ILE 66 1.379 -14.981 -15.762 491 HD11 ILE 66 1HD1 ILE 66 4.752 -12.459 -13.771 492 HD12 ILE 66 2HD1 ILE 66 4.468 -13.323 -15.283 493 HD13 ILE 66 3HD1 ILE 66 4.177 -11.586 -15.192 494 H GLN 67 H GLN 67 2.037 -14.919 -11.029 495 HA GLN 67 HA GLN 67 0.678 -12.958 -9.494 496 HB2 GLN 67 1HB GLN 67 1.882 -13.760 -7.653 497 HB3 GLN 67 2HB GLN 67 1.731 -15.164 -8.702 498 HG2 GLN 67 1HG GLN 67 4.149 -13.406 -8.372 499 HG3 GLN 67 2HG GLN 67 3.954 -15.066 -7.810 500 HE21 GLN 67 1HE2 GLN 67 5.299 -13.209 -10.139 501 HE22 GLN 67 2HE2 GLN 67 5.440 -14.375 -11.406 502 H LEU 68 H LEU 68 1.368 -11.003 -8.683 503 HA LEU 68 HA LEU 68 3.685 -9.831 -10.060 504 HB2 LEU 68 1HB LEU 68 1.431 -8.804 -10.385 505 HB3 LEU 68 2HB LEU 68 1.425 -8.404 -8.669 506 HG LEU 68 HG LEU 68 3.467 -7.015 -9.068 507 HD11 LEU 68 1HD1 LEU 68 2.897 -6.855 -11.947 508 HD12 LEU 68 2HD1 LEU 68 3.677 -8.344 -11.412 509 HD13 LEU 68 3HD1 LEU 68 4.434 -6.785 -11.083 510 HD21 LEU 68 1HD2 LEU 68 0.741 -6.485 -9.735 511 HD22 LEU 68 2HD2 LEU 68 1.791 -5.578 -10.824 512 HD23 LEU 68 3HD2 LEU 68 1.957 -5.390 -9.078 513 H THR 69 H THR 69 5.426 -10.135 -8.791 514 HA THR 69 HA THR 69 5.276 -9.948 -5.919 515 HB THR 69 HB THR 69 7.641 -10.439 -5.911 516 HG1 THR 69 1HG THR 69 8.742 -10.609 -7.971 517 HG21 THR 69 1HG2 THR 69 5.960 -12.257 -6.447 518 HG22 THR 69 2HG2 THR 69 7.626 -12.583 -6.926 519 HG23 THR 69 3HG2 THR 69 6.443 -12.081 -8.133 520 H PHE 70 H PHE 70 7.119 -8.605 -4.843 521 HA PHE 70 HA PHE 70 6.530 -5.870 -5.324 522 HB2 PHE 70 1HB PHE 70 7.013 -6.247 -3.098 523 HB3 PHE 70 2HB PHE 70 8.319 -7.369 -3.462 524 HD1 PHE 70 2HD PHE 70 7.387 -3.844 -3.126 525 HD2 PHE 70 1HD PHE 70 10.555 -6.590 -3.863 526 HE1 PHE 70 2HE PHE 70 9.026 -2.046 -2.760 527 HE2 PHE 70 1HE PHE 70 12.199 -4.796 -3.497 528 HZ PHE 70 HZ PHE 70 11.435 -2.520 -2.946 529 H GLU 71 H GLU 71 9.383 -7.884 -5.929 530 HA GLU 71 HA GLU 71 11.122 -5.914 -6.833 531 HB2 GLU 71 1HB GLU 71 10.852 -8.835 -7.497 532 HB3 GLU 71 2HB GLU 71 12.097 -7.843 -8.242 533 HG2 GLU 71 1HG GLU 71 12.634 -7.201 -5.760 534 HG3 GLU 71 2HG GLU 71 11.810 -8.721 -5.415 535 H ALA 72 H ALA 72 9.117 -8.066 -8.856 536 HA ALA 72 HA ALA 72 9.600 -6.980 -11.319 537 HB1 ALA 72 1HB ALA 72 7.860 -8.219 -12.059 538 HB2 ALA 72 2HB ALA 72 7.959 -8.905 -10.436 539 HB3 ALA 72 3HB ALA 72 6.772 -7.650 -10.793 540 H THR 73 H THR 73 6.909 -6.020 -9.179 541 HA THR 73 HA THR 73 5.896 -3.939 -10.673 542 HB THR 73 HB THR 73 6.093 -4.050 -7.657 543 HG1 THR 73 1HG THR 73 5.012 -5.857 -8.551 544 HG21 THR 73 1HG2 THR 73 4.387 -2.405 -9.519 545 HG22 THR 73 2HG2 THR 73 5.491 -1.833 -8.269 546 HG23 THR 73 3HG2 THR 73 3.995 -2.649 -7.818 547 H LEU 74 H LEU 74 8.607 -3.894 -8.404 548 HA LEU 74 HA LEU 74 9.038 -1.097 -8.492 549 HB2 LEU 74 1HB LEU 74 9.972 -2.223 -6.666 550 HB3 LEU 74 2HB LEU 74 10.723 -3.444 -7.692 551 HG LEU 74 HG LEU 74 12.168 -1.471 -8.557 552 HD11 LEU 74 1HD1 LEU 74 12.516 0.318 -6.991 553 HD12 LEU 74 2HD1 LEU 74 11.338 -0.374 -5.876 554 HD13 LEU 74 3HD1 LEU 74 10.808 0.266 -7.431 555 HD21 LEU 74 1HD2 LEU 74 13.785 -1.854 -6.765 556 HD22 LEU 74 2HD2 LEU 74 13.023 -3.361 -7.275 557 HD23 LEU 74 3HD2 LEU 74 12.520 -2.581 -5.774 558 H GLN 75 H GLN 75 10.893 -3.747 -10.004 559 HA GLN 75 HA GLN 75 12.647 -2.304 -11.516 560 HB2 GLN 75 1HB GLN 75 11.200 -4.842 -12.288 561 HB3 GLN 75 2HB GLN 75 12.600 -4.204 -13.139 562 HG2 GLN 75 1HG GLN 75 12.750 -4.731 -10.206 563 HG3 GLN 75 2HG GLN 75 12.900 -6.059 -11.355 564 HE21 GLN 75 1HE2 GLN 75 14.223 -2.893 -10.530 565 HE22 GLN 75 2HE2 GLN 75 15.824 -3.217 -11.092 566 H GLN 76 H GLN 76 9.358 -3.254 -12.487 567 HA GLN 76 HA GLN 76 9.401 -2.023 -15.010 568 HB2 GLN 76 1HB GLN 76 7.066 -2.609 -13.183 569 HB3 GLN 76 2HB GLN 76 6.920 -2.138 -14.872 570 HG2 GLN 76 1HG GLN 76 7.707 -4.154 -15.645 571 HG3 GLN 76 2HG GLN 76 8.570 -4.512 -14.151 572 HE21 GLN 76 1HE2 GLN 76 6.888 -4.473 -12.203 573 HE22 GLN 76 2HE2 GLN 76 5.533 -5.516 -12.448 574 H LEU 77 H LEU 77 8.417 -0.823 -11.833 575 HA LEU 77 HA LEU 77 7.289 1.598 -12.570 576 HB2 LEU 77 1HB LEU 77 8.615 0.538 -10.152 577 HB3 LEU 77 2HB LEU 77 8.486 2.292 -10.267 578 HG LEU 77 HG LEU 77 6.078 0.533 -10.599 579 HD11 LEU 77 1HD1 LEU 77 6.413 1.738 -7.969 580 HD12 LEU 77 2HD1 LEU 77 7.602 0.484 -8.318 581 HD13 LEU 77 3HD1 LEU 77 5.879 0.118 -8.417 582 HD21 LEU 77 1HD2 LEU 77 5.198 2.534 -11.029 583 HD22 LEU 77 2HD2 LEU 77 6.648 3.377 -10.483 584 HD23 LEU 77 3HD2 LEU 77 5.419 2.888 -9.315 585 H GLU 78 H GLU 78 8.191 3.785 -12.370 586 HA GLU 78 HA GLU 78 11.045 3.933 -13.058 587 HB2 GLU 78 1HB GLU 78 10.532 5.657 -14.745 588 HB3 GLU 78 2HB GLU 78 9.812 4.103 -15.143 589 HG2 GLU 78 1HG GLU 78 7.654 4.872 -14.345 590 HG3 GLU 78 2HG GLU 78 8.361 6.417 -13.879 591 H ALA 79 H ALA 79 12.097 5.255 -11.743 592 HA ALA 79 HA ALA 79 11.139 6.624 -9.619 593 HB1 ALA 79 1HB ALA 79 13.162 8.202 -10.002 594 HB2 ALA 79 2HB ALA 79 13.446 6.486 -9.705 595 HB3 ALA 79 3HB ALA 79 13.526 7.122 -11.348 596 HA PRO 80 HA PRO 80 11.900 8.655 -8.535 597 HB2 PRO 80 1HB PRO 80 10.137 10.060 -7.023 598 HB3 PRO 80 2HB PRO 80 11.411 10.829 -7.977 599 HG2 PRO 80 1HG PRO 80 8.509 10.481 -8.624 600 HG3 PRO 80 2HG PRO 80 9.544 11.903 -8.854 601 HD2 PRO 80 1HD PRO 80 8.918 10.213 -10.875 602 HD3 PRO 80 2HD PRO 80 10.471 11.070 -10.793 603 H TYR 81 H TYR 81 8.881 7.635 -9.670 604 HA TYR 81 HA TYR 81 7.506 6.634 -7.537 605 HB2 TYR 81 1HB TYR 81 7.944 5.030 -10.055 606 HB3 TYR 81 2HB TYR 81 6.528 5.033 -9.010 607 HD1 TYR 81 1HD TYR 81 6.320 8.052 -8.676 608 HD2 TYR 81 2HD TYR 81 6.899 5.601 -12.105 609 HE1 TYR 81 1HE TYR 81 5.284 9.784 -10.082 610 HE2 TYR 81 2HE TYR 81 5.866 7.327 -13.521 611 HH TYR 81 HH TYR 81 4.130 9.943 -12.256 612 H ASN 82 H ASN 82 9.994 4.813 -9.337 613 HA ASN 82 HA ASN 82 10.115 2.757 -7.345 614 HB2 ASN 82 1HB ASN 82 11.600 1.662 -8.763 615 HB3 ASN 82 2HB ASN 82 10.644 2.614 -9.895 616 HD21 ASN 82 1HD2 ASN 82 11.877 3.370 -11.443 617 HD22 ASN 82 2HD2 ASN 82 13.465 4.025 -11.258 618 H SER 83 H SER 83 11.966 5.635 -8.113 619 HA SER 83 HA SER 83 14.327 5.427 -6.908 620 HB2 SER 83 1HB SER 83 13.386 7.556 -7.774 621 HB3 SER 83 2HB SER 83 12.418 7.700 -6.307 622 HG SER 83 HG SER 83 14.736 8.683 -6.585 623 H ASP 84 H ASP 84 11.295 5.880 -5.112 624 HA ASP 84 HA ASP 84 12.707 5.297 -2.613 625 HB2 ASP 84 1HB ASP 84 10.053 6.542 -3.262 626 HB3 ASP 84 2HB ASP 84 10.360 5.889 -1.655 627 H THR 85 H THR 85 12.997 3.054 -3.004 628 HA THR 85 HA THR 85 11.085 1.200 -3.720 629 HB THR 85 HB THR 85 12.424 -0.413 -2.224 630 HG1 THR 85 1HG THR 85 14.411 0.447 -1.494 631 HG21 THR 85 1HG2 THR 85 13.602 1.183 -4.483 632 HG22 THR 85 2HG2 THR 85 12.900 -0.434 -4.526 633 HG23 THR 85 3HG2 THR 85 14.463 -0.172 -3.754 634 H VAL 86 H VAL 86 11.879 2.342 -0.446 635 HA VAL 86 HA VAL 86 10.297 0.798 1.122 636 HB VAL 86 HB VAL 86 11.732 2.823 1.787 637 HG11 VAL 86 1HG1 VAL 86 10.363 4.410 0.391 638 HG12 VAL 86 2HG1 VAL 86 9.095 4.263 1.610 639 HG13 VAL 86 3HG1 VAL 86 10.669 4.927 2.049 640 HG21 VAL 86 1HG2 VAL 86 10.539 1.397 3.381 641 HG22 VAL 86 2HG2 VAL 86 10.531 3.084 3.894 642 HG23 VAL 86 3HG2 VAL 86 9.088 2.375 3.170 643 H LEU 87 H LEU 87 9.226 3.534 -0.851 644 HA LEU 87 HA LEU 87 6.534 3.506 0.026 645 HB2 LEU 87 1HB LEU 87 7.892 5.304 -1.283 646 HB3 LEU 87 2HB LEU 87 7.331 4.425 -2.704 647 HG LEU 87 HG LEU 87 5.014 4.862 -2.070 648 HD11 LEU 87 1HD1 LEU 87 6.257 6.293 0.269 649 HD12 LEU 87 2HD1 LEU 87 5.153 4.918 0.310 650 HD13 LEU 87 3HD1 LEU 87 4.578 6.494 -0.233 651 HD21 LEU 87 1HD2 LEU 87 5.736 6.487 -3.530 652 HD22 LEU 87 2HD2 LEU 87 6.937 7.121 -2.404 653 HD23 LEU 87 3HD2 LEU 87 5.224 7.464 -2.153 654 H VAL 88 H VAL 88 8.139 2.117 -2.823 655 HA VAL 88 HA VAL 88 5.870 1.018 -4.035 656 HB VAL 88 HB VAL 88 8.693 -0.059 -4.106 657 HG11 VAL 88 1HG1 VAL 88 8.108 -1.294 -5.994 658 HG12 VAL 88 2HG1 VAL 88 6.733 -1.521 -4.911 659 HG13 VAL 88 3HG1 VAL 88 6.623 -0.379 -6.251 660 HG21 VAL 88 1HG2 VAL 88 8.733 2.222 -4.798 661 HG22 VAL 88 2HG2 VAL 88 8.808 1.230 -6.254 662 HG23 VAL 88 3HG2 VAL 88 7.293 2.008 -5.794 663 H HIS 89 H HIS 89 7.844 -0.117 -1.385 664 HA HIS 89 HA HIS 89 6.812 -2.786 -1.379 665 HB2 HIS 89 1HB HIS 89 8.993 -2.343 -0.415 666 HB3 HIS 89 2HB HIS 89 8.292 -1.211 0.738 667 HD1 HIS 89 1HD HIS 89 9.445 -4.566 0.541 668 HD2 HIS 89 2HD HIS 89 6.281 -2.681 2.464 669 HE1 HIS 89 1HE HIS 89 8.740 -6.138 2.374 670 HE2 HIS 89 2HE HIS 89 6.770 -5.014 3.469 671 H ARG 90 H ARG 90 6.002 0.224 0.247 672 HA ARG 90 HA ARG 90 4.094 -0.971 2.022 673 HB2 ARG 90 1HB ARG 90 4.616 1.901 1.245 674 HB3 ARG 90 2HB ARG 90 3.429 1.416 2.449 675 HG2 ARG 90 1HG ARG 90 5.010 0.866 3.993 676 HG3 ARG 90 2HG ARG 90 6.213 0.442 2.773 677 HD2 ARG 90 1HD ARG 90 6.818 2.657 2.421 678 HD3 ARG 90 2HD ARG 90 5.310 3.277 3.091 679 HE ARG 90 HE ARG 90 7.688 2.517 4.552 680 HH11 ARG 90 2HH1 ARG 90 4.281 3.221 4.691 681 HH12 ARG 90 1HH1 ARG 90 4.296 3.601 6.381 682 HH21 ARG 90 2HH2 ARG 90 7.720 3.015 6.778 683 HH22 ARG 90 1HH2 ARG 90 6.253 3.485 7.567 684 H VAL 91 H VAL 91 3.918 0.853 -1.011 685 HA VAL 91 HA VAL 91 1.101 0.960 -1.164 686 HB VAL 91 HB VAL 91 3.172 1.083 -3.357 687 HG11 VAL 91 1HG1 VAL 91 1.486 0.881 -4.794 688 HG12 VAL 91 2HG1 VAL 91 0.292 0.911 -3.495 689 HG13 VAL 91 3HG1 VAL 91 0.880 2.423 -4.189 690 HG21 VAL 91 1HG2 VAL 91 3.523 2.944 -2.009 691 HG22 VAL 91 2HG2 VAL 91 2.425 3.553 -3.247 692 HG23 VAL 91 3HG2 VAL 91 1.807 3.131 -1.650 693 H HIS 92 H HIS 92 3.398 -1.135 -2.919 694 HA HIS 92 HA HIS 92 1.575 -2.761 -4.202 695 HB2 HIS 92 1HB HIS 92 3.992 -2.828 -4.637 696 HB3 HIS 92 2HB HIS 92 4.260 -3.566 -3.060 697 HD1 HIS 92 1HD HIS 92 3.477 -6.052 -2.775 698 HD2 HIS 92 2HD HIS 92 3.186 -4.558 -6.641 699 HE1 HIS 92 1HE HIS 92 3.159 -8.063 -4.251 700 HE2 HIS 92 2HE HIS 92 3.071 -7.142 -6.593 701 H SER 93 H SER 93 2.552 -2.766 -0.861 702 HA SER 93 HA SER 93 1.531 -5.352 -0.222 703 HB2 SER 93 1HB SER 93 3.257 -4.117 1.125 704 HB3 SER 93 2HB SER 93 1.977 -3.031 1.667 705 HG SER 93 HG SER 93 1.925 -5.848 2.006 706 H TYR 94 H TYR 94 0.348 -2.111 0.695 707 HA TYR 94 HA TYR 94 -2.028 -2.702 1.828 708 HB2 TYR 94 1HB TYR 94 -1.677 -0.436 1.776 709 HB3 TYR 94 2HB TYR 94 -1.128 -0.448 0.104 710 HD1 TYR 94 2HD TYR 94 -2.879 -0.747 -1.724 711 HD2 TYR 94 1HD TYR 94 -3.881 0.163 2.310 712 HE1 TYR 94 2HE TYR 94 -5.087 0.049 -2.458 713 HE2 TYR 94 1HE TYR 94 -6.093 0.960 1.587 714 HH TYR 94 HH TYR 94 -7.153 1.837 -0.466 715 H LEU 95 H LEU 95 -1.270 -2.898 -1.586 716 HA LEU 95 HA LEU 95 -3.974 -3.318 -2.433 717 HB2 LEU 95 1HB LEU 95 -1.313 -3.714 -3.777 718 HB3 LEU 95 2HB LEU 95 -2.846 -4.073 -4.568 719 HG LEU 95 HG LEU 95 -2.159 -1.345 -3.493 720 HD11 LEU 95 1HD1 LEU 95 -2.041 -1.894 -6.398 721 HD12 LEU 95 2HD1 LEU 95 -0.685 -2.451 -5.418 722 HD13 LEU 95 3HD1 LEU 95 -1.129 -0.745 -5.419 723 HD21 LEU 95 1HD2 LEU 95 -4.152 -2.198 -5.586 724 HD22 LEU 95 2HD2 LEU 95 -3.963 -0.596 -4.874 725 HD23 LEU 95 3HD2 LEU 95 -4.551 -1.936 -3.888 726 H GLU 96 H GLU 96 -1.135 -5.485 -2.445 727 HA GLU 96 HA GLU 96 -2.573 -7.838 -2.930 728 HB2 GLU 96 1HB GLU 96 -0.185 -7.761 -3.270 729 HB3 GLU 96 2HB GLU 96 0.090 -7.414 -1.569 730 HG2 GLU 96 1HG GLU 96 -1.320 -9.924 -2.327 731 HG3 GLU 96 2HG GLU 96 0.430 -9.822 -2.519 732 H ARG 97 H ARG 97 -1.205 -6.689 0.160 733 HA ARG 97 HA ARG 97 -2.100 -8.584 1.878 734 HB2 ARG 97 1HB ARG 97 -1.806 -5.620 2.165 735 HB3 ARG 97 2HB ARG 97 -2.494 -6.548 3.491 736 HG2 ARG 97 1HG ARG 97 0.146 -7.240 2.241 737 HG3 ARG 97 2HG ARG 97 -0.008 -6.102 3.581 738 HD2 ARG 97 1HD ARG 97 -1.409 -8.095 4.621 739 HD3 ARG 97 2HD ARG 97 -0.411 -9.045 3.522 740 HE ARG 97 HE ARG 97 1.045 -7.187 5.186 741 HH11 ARG 97 2HH1 ARG 97 -0.211 -10.417 4.855 742 HH12 ARG 97 1HH1 ARG 97 0.901 -11.106 5.991 743 HH21 ARG 97 2HH2 ARG 97 2.515 -8.083 6.683 744 HH22 ARG 97 1HH2 ARG 97 2.450 -9.777 7.031 745 H HIS 98 H HIS 98 -3.991 -5.764 0.808 746 HA HIS 98 HA HIS 98 -6.342 -6.446 2.210 747 HB2 HIS 98 1HB HIS 98 -5.795 -4.673 -0.161 748 HB3 HIS 98 2HB HIS 98 -7.430 -4.912 0.449 749 HD1 HIS 98 1HD HIS 98 -7.752 -2.542 1.305 750 HD2 HIS 98 2HD HIS 98 -4.394 -4.413 2.883 751 HE1 HIS 98 1HE HIS 98 -6.959 -1.045 3.163 752 HE2 HIS 98 2HE HIS 98 -4.877 -2.154 4.046 753 H GLY 99 H GLY 99 -5.164 -7.256 -1.010 754 HA2 GLY 99 1HA GLY 99 -5.791 -9.416 -1.931 755 HA3 GLY 99 2HA GLY 99 -7.386 -9.185 -1.231 756 H LEU 100 H LEU 100 -5.509 -6.795 -3.024 757 HA LEU 100 HA LEU 100 -7.692 -6.678 -4.985 758 HB2 LEU 100 1HB LEU 100 -5.538 -4.618 -4.693 759 HB3 LEU 100 2HB LEU 100 -7.155 -4.440 -5.372 760 HG LEU 100 HG LEU 100 -6.243 -4.289 -2.556 761 HD11 LEU 100 1HD1 LEU 100 -8.187 -2.647 -2.562 762 HD12 LEU 100 2HD1 LEU 100 -8.244 -2.894 -4.307 763 HD13 LEU 100 3HD1 LEU 100 -6.789 -2.239 -3.557 764 HD21 LEU 100 1HD2 LEU 100 -8.616 -5.804 -3.442 765 HD22 LEU 100 2HD2 LEU 100 -8.872 -4.646 -2.137 766 HD23 LEU 100 3HD2 LEU 100 -7.675 -5.930 -1.956 767 H ILE 101 H ILE 101 -4.501 -7.711 -4.603 768 HA ILE 101 HA ILE 101 -4.256 -8.086 -7.497 769 HB ILE 101 HB ILE 101 -1.865 -7.509 -7.438 770 HG12 ILE 101 1HG1 ILE 101 -2.259 -6.157 -4.797 771 HG13 ILE 101 2HG1 ILE 101 -1.864 -7.872 -4.830 772 HG21 ILE 101 1HG2 ILE 101 -2.628 -4.954 -6.555 773 HG22 ILE 101 2HG2 ILE 101 -2.605 -5.565 -8.208 774 HG23 ILE 101 3HG2 ILE 101 -4.073 -5.698 -7.240 775 HD11 ILE 101 1HD1 ILE 101 -0.116 -6.400 -6.571 776 HD12 ILE 101 2HD1 ILE 101 -0.099 -5.726 -4.940 777 HD13 ILE 101 3HD1 ILE 101 0.271 -7.432 -5.194 778 H ASN 102 H ASN 102 -3.211 -9.953 -8.117 779 HA ASN 102 HA ASN 102 -2.409 -12.075 -7.961 780 HB2 ASN 102 1HB ASN 102 -1.351 -11.230 -5.256 781 HB3 ASN 102 2HB ASN 102 -0.801 -12.597 -6.221 782 HD21 ASN 102 1HD2 ASN 102 1.300 -11.603 -5.979 783 HD22 ASN 102 2HD2 ASN 102 1.766 -10.335 -7.056 784 H PHE 103 H PHE 103 -4.987 -12.018 -7.527 785 HA PHE 103 HA PHE 103 -5.422 -13.706 -5.150 786 HB2 PHE 103 1HB PHE 103 -7.843 -12.893 -5.343 787 HB3 PHE 103 2HB PHE 103 -6.657 -11.737 -4.745 788 HD1 PHE 103 1HD PHE 103 -7.766 -12.850 -8.133 789 HD2 PHE 103 2HD PHE 103 -7.091 -9.608 -5.458 790 HE1 PHE 103 1HE PHE 103 -8.434 -11.264 -9.892 791 HE2 PHE 103 2HE PHE 103 -7.759 -8.017 -7.212 792 HZ PHE 103 HZ PHE 103 -8.433 -8.845 -9.432 793 H GLY 104 H GLY 104 -4.584 -14.604 -7.760 794 HA2 GLY 104 1HA GLY 104 -6.718 -16.528 -8.219 795 HA3 GLY 104 2HA GLY 104 -6.313 -15.499 -9.585 796 H ILE 105 H ILE 105 -3.907 -15.441 -10.113 797 HA ILE 105 HA ILE 105 -2.971 -17.710 -11.135 798 HB ILE 105 HB ILE 105 -0.685 -16.909 -10.940 799 HG12 ILE 105 1HG1 ILE 105 -0.827 -16.259 -8.536 800 HG13 ILE 105 2HG1 ILE 105 -0.076 -15.029 -9.547 801 HG21 ILE 105 1HG2 ILE 105 -1.366 -15.586 -12.597 802 HG22 ILE 105 2HG2 ILE 105 -2.909 -15.269 -11.807 803 HG23 ILE 105 3HG2 ILE 105 -1.493 -14.301 -11.396 804 HD11 ILE 105 1HD1 ILE 105 -2.394 -13.959 -9.638 805 HD12 ILE 105 2HD1 ILE 105 -2.787 -15.019 -8.284 806 HD13 ILE 105 3HD1 ILE 105 -1.484 -13.841 -8.132 807 H TYR 106 H TYR 106 -2.698 -16.836 -7.733 808 HA TYR 106 HA TYR 106 -2.055 -19.630 -7.129 809 HB2 TYR 106 1HB TYR 106 -0.300 -19.051 -5.605 810 HB3 TYR 106 2HB TYR 106 0.053 -18.261 -7.138 811 HD1 TYR 106 1HD TYR 106 -1.589 -17.595 -3.852 812 HD2 TYR 106 2HD TYR 106 0.579 -16.003 -7.149 813 HE1 TYR 106 1HE TYR 106 -1.425 -15.433 -2.692 814 HE2 TYR 106 2HE TYR 106 0.750 -13.836 -5.997 815 HH TYR 106 HH TYR 106 0.547 -13.288 -3.069 816 H LYS 107 H LYS 107 -3.184 -20.433 -5.465 817 HA LYS 107 HA LYS 107 -4.963 -18.612 -4.026 818 HB2 LYS 107 1HB LYS 107 -6.050 -20.780 -3.279 819 HB3 LYS 107 2HB LYS 107 -6.144 -20.420 -4.998 820 HG2 LYS 107 1HG LYS 107 -4.683 -22.099 -5.571 821 HG3 LYS 107 2HG LYS 107 -3.913 -22.116 -3.983 822 HD2 LYS 107 1HD LYS 107 -6.787 -22.896 -4.256 823 HD3 LYS 107 2HD LYS 107 -5.518 -24.052 -4.670 824 HE2 LYS 107 1HE LYS 107 -4.558 -23.799 -2.437 825 HE3 LYS 107 2HE LYS 107 -5.811 -22.629 -2.025 826 HZ1 LYS 107 1HZ LYS 107 -6.253 -25.485 -2.710 827 HZ2 LYS 107 2HZ LYS 107 -7.471 -24.366 -2.357 828 HZ3 LYS 107 3HZ LYS 107 -6.355 -24.806 -1.164 829 H ARG 108 H ARG 108 -3.338 -17.759 -2.621 830 HA ARG 108 HA ARG 108 -1.972 -19.539 -0.803 831 HB2 ARG 108 1HB ARG 108 -2.055 -16.560 -1.177 832 HB3 ARG 108 2HB ARG 108 -1.328 -17.262 0.263 833 HG2 ARG 108 1HG ARG 108 -0.459 -18.315 -2.369 834 HG3 ARG 108 2HG ARG 108 0.082 -16.701 -1.903 835 HD2 ARG 108 1HD ARG 108 0.327 -18.962 0.033 836 HD3 ARG 108 2HD ARG 108 1.500 -18.803 -1.274 837 HE ARG 108 HE ARG 108 1.213 -17.083 1.034 838 HH11 ARG 108 2HH1 ARG 108 2.544 -17.481 -2.158 839 HH12 ARG 108 1HH1 ARG 108 3.780 -16.288 -1.933 840 HH21 ARG 108 2HH2 ARG 108 2.836 -15.510 1.343 841 HH22 ARG 108 1HH2 ARG 108 3.946 -15.168 0.059 842 H ILE 109 H ILE 109 -2.018 -18.527 1.615 843 HA ILE 109 HA ILE 109 -4.159 -19.483 2.928 844 HB ILE 109 HB ILE 109 -2.997 -16.879 3.866 845 HG12 ILE 109 1HG1 ILE 109 -1.290 -18.674 4.933 846 HG13 ILE 109 2HG1 ILE 109 -1.608 -19.454 3.388 847 HG21 ILE 109 1HG2 ILE 109 -4.752 -17.924 5.209 848 HG22 ILE 109 2HG2 ILE 109 -3.798 -19.404 5.306 849 HG23 ILE 109 3HG2 ILE 109 -3.207 -17.923 6.060 850 HD11 ILE 109 1HD1 ILE 109 -1.079 -17.100 2.413 851 HD12 ILE 109 2HD1 ILE 109 -0.267 -16.861 3.961 852 HD13 ILE 109 3HD1 ILE 109 0.228 -18.178 2.898 853 H LYS 110 H LYS 110 -6.252 -19.186 2.558 854 HA LYS 110 HA LYS 110 -7.528 -16.713 3.008 855 HB2 LYS 110 1HB LYS 110 -8.097 -15.935 0.912 856 HB3 LYS 110 2HB LYS 110 -6.470 -16.532 0.614 857 HG2 LYS 110 1HG LYS 110 -7.476 -18.658 -0.208 858 HG3 LYS 110 2HG LYS 110 -9.063 -17.901 -0.059 859 HD2 LYS 110 1HD LYS 110 -8.250 -16.091 -1.584 860 HD3 LYS 110 2HD LYS 110 -6.783 -17.041 -1.835 861 HE2 LYS 110 1HE LYS 110 -9.532 -18.154 -2.328 862 HE3 LYS 110 2HE LYS 110 -8.630 -17.285 -3.568 863 HZ1 LYS 110 1HZ LYS 110 -6.781 -18.974 -2.967 864 HZ2 LYS 110 2HZ LYS 110 -8.049 -19.452 -3.980 865 HZ3 LYS 110 3HZ LYS 110 -8.057 -19.897 -2.348 866 HA PRO 111 HA PRO 111 -10.935 -19.415 3.612 867 HB2 PRO 111 1HB PRO 111 -13.023 -17.729 3.204 868 HB3 PRO 111 2HB PRO 111 -11.995 -17.655 4.640 869 HG2 PRO 111 1HG PRO 111 -11.907 -15.982 2.159 870 HG3 PRO 111 2HG PRO 111 -11.749 -15.481 3.853 871 HD2 PRO 111 1HD PRO 111 -9.611 -15.794 2.221 872 HD3 PRO 111 2HD PRO 111 -9.536 -16.115 3.965 873 H LEU 112 H LEU 112 -13.277 -19.755 2.532 874 HA LEU 112 HA LEU 112 -13.026 -19.723 -0.385 875 HB2 LEU 112 1HB LEU 112 -14.062 -22.202 0.885 876 HB3 LEU 112 2HB LEU 112 -13.272 -21.980 -0.675 877 HG LEU 112 HG LEU 112 -11.654 -21.618 1.800 878 HD11 LEU 112 1HD1 LEU 112 -13.146 -23.963 1.344 879 HD12 LEU 112 2HD1 LEU 112 -11.857 -23.702 2.519 880 HD13 LEU 112 3HD1 LEU 112 -11.474 -24.326 0.915 881 HD21 LEU 112 1HD2 LEU 112 -10.102 -22.953 0.131 882 HD22 LEU 112 2HD2 LEU 112 -10.341 -21.212 -0.023 883 HD23 LEU 112 3HD2 LEU 112 -11.241 -22.321 -1.059 884 HA PRO 113 HA PRO 113 -17.278 -18.629 -0.335 885 HB2 PRO 113 1HB PRO 113 -18.108 -19.677 -2.698 886 HB3 PRO 113 2HB PRO 113 -17.078 -18.244 -2.591 887 HG2 PRO 113 1HG PRO 113 -16.318 -21.087 -3.142 888 HG3 PRO 113 2HG PRO 113 -15.745 -19.603 -3.926 889 HD2 PRO 113 1HD PRO 113 -14.310 -20.894 -2.027 890 HD3 PRO 113 2HD PRO 113 -14.257 -19.131 -2.231 891 H THR 114 H THR 114 -18.132 -19.823 1.375 892 HA THR 114 HA THR 114 -19.313 -22.423 0.639 893 HB THR 114 HB THR 114 -19.260 -22.995 3.055 894 HG1 THR 114 1HG THR 114 -19.135 -20.967 4.001 895 HG21 THR 114 1HG2 THR 114 -16.530 -22.789 3.048 896 HG22 THR 114 2HG2 THR 114 -16.917 -22.652 1.332 897 HG23 THR 114 3HG2 THR 114 -17.453 -24.060 2.248 898 H LYS 115 H LYS 115 -21.460 -22.592 0.739 899 HA LYS 115 HA LYS 115 -23.613 -21.739 0.748 900 HB2 LYS 115 1HB LYS 115 -24.518 -21.735 3.005 901 HB3 LYS 115 2HB LYS 115 -23.373 -23.057 2.817 902 HG2 LYS 115 1HG LYS 115 -21.654 -21.468 3.849 903 HG3 LYS 115 2HG LYS 115 -23.044 -20.493 4.332 904 HD2 LYS 115 1HD LYS 115 -22.845 -21.807 6.188 905 HD3 LYS 115 2HD LYS 115 -23.910 -22.832 5.224 906 HE2 LYS 115 1HE LYS 115 -21.624 -23.781 4.326 907 HE3 LYS 115 2HE LYS 115 -21.016 -23.151 5.856 908 HZ1 LYS 115 1HZ LYS 115 -23.285 -24.481 6.552 909 HZ2 LYS 115 2HZ LYS 115 -21.706 -25.065 6.719 910 HZ3 LYS 115 3HZ LYS 115 -22.617 -25.470 5.352 911 H LYS 116 H LYS 116 -21.944 -19.681 -0.013 912 HA LYS 116 HA LYS 116 -22.382 -17.352 1.611 913 HB2 LYS 116 1HB LYS 116 -20.425 -17.786 0.005 914 HB3 LYS 116 2HB LYS 116 -21.541 -17.346 -1.281 915 HG2 LYS 116 1HG LYS 116 -20.619 -15.313 -0.921 916 HG3 LYS 116 2HG LYS 116 -21.903 -15.232 0.288 917 HD2 LYS 116 1HD LYS 116 -19.296 -16.414 1.093 918 HD3 LYS 116 2HD LYS 116 -19.382 -14.664 0.881 919 HE2 LYS 116 1HE LYS 116 -21.365 -14.666 2.410 920 HE3 LYS 116 2HE LYS 116 -21.049 -16.372 2.722 921 HZ1 LYS 116 1HZ LYS 116 -18.685 -14.857 3.069 922 HZ2 LYS 116 2HZ LYS 116 -19.501 -15.826 4.189 923 HZ3 LYS 116 3HZ LYS 116 -19.928 -14.199 4.010 924 H THR 117 H THR 117 -24.825 -18.467 1.203 925 HA THR 117 HA THR 117 -26.095 -16.656 -0.746 926 HB THR 117 HB THR 117 -28.013 -18.312 -0.716 927 HG1 THR 117 1HG THR 117 -27.822 -20.039 0.488 928 HG21 THR 117 1HG2 THR 117 -25.945 -18.141 -2.377 929 HG22 THR 117 2HG2 THR 117 -27.162 -19.408 -2.533 930 HG23 THR 117 3HG2 THR 117 -25.625 -19.754 -1.742 931 H GLY 118 H GLY 118 -28.094 -15.691 -0.158 932 HA2 GLY 118 1HA GLY 118 -29.677 -15.916 1.983 933 HA3 GLY 118 2HA GLY 118 -28.268 -15.143 2.693 934 H SER 119 H SER 119 -31.216 -14.617 1.239 935 HA SER 119 HA SER 119 -30.769 -11.768 1.165 936 HB2 SER 119 1HB SER 119 -31.664 -11.573 -1.195 937 HB3 SER 119 2HB SER 119 -30.031 -12.226 -1.066 938 HG SER 119 HG SER 119 -32.390 -13.464 -1.852 939 H GLY 120 H GLY 120 -32.850 -10.609 0.529 940 HA2 GLY 120 1HA GLY 120 -35.085 -12.072 1.762 941 HA3 GLY 120 2HA GLY 120 -34.923 -10.323 1.699 942 HA PRO 121 HA PRO 121 -36.541 -12.099 -2.551 943 HB2 PRO 121 1HB PRO 121 -38.204 -14.214 -2.192 944 HB3 PRO 121 2HB PRO 121 -36.474 -14.395 -2.503 945 HG2 PRO 121 1HG PRO 121 -37.954 -14.515 0.096 946 HG3 PRO 121 2HG PRO 121 -36.649 -15.559 -0.498 947 HD2 PRO 121 1HD PRO 121 -36.219 -13.552 1.268 948 HD3 PRO 121 2HD PRO 121 -35.008 -14.042 0.066 949 H SER 122 H SER 122 -38.304 -11.103 -3.360 950 HA SER 122 HA SER 122 -40.565 -10.619 -1.531 951 HB2 SER 122 1HB SER 122 -40.842 -8.411 -2.539 952 HB3 SER 122 2HB SER 122 -39.209 -8.579 -1.893 953 HG SER 122 HG SER 122 -39.368 -7.664 -4.057 954 H SER 123 H SER 123 -41.899 -12.214 -2.301 955 HA SER 123 HA SER 123 -42.582 -12.123 -5.162 956 HB2 SER 123 1HB SER 123 -41.753 -14.301 -4.127 957 HB3 SER 123 2HB SER 123 -43.276 -14.347 -3.239 958 HG SER 123 HG SER 123 -44.327 -14.230 -5.320 959 H GLY 124 H GLY 124 -44.812 -12.288 -5.777 960 HA2 GLY 124 1HA GLY 124 -46.951 -12.168 -3.935 961 HA3 GLY 124 2HA GLY 124 -46.511 -10.537 -4.421 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -19.564 -17.412 -4.827 2 HA2 GLY 1 1HA GLY 1 -18.648 -16.073 -6.507 3 HA3 GLY 1 2HA GLY 1 -18.929 -17.561 -7.399 4 H SER 2 H SER 2 -18.879 -15.055 -8.623 5 HA SER 2 HA SER 2 -21.689 -14.808 -9.470 6 HB2 SER 2 1HB SER 2 -21.432 -12.418 -9.727 7 HB3 SER 2 2HB SER 2 -20.958 -12.856 -8.086 8 HG SER 2 HG SER 2 -19.382 -11.998 -10.233 9 H SER 3 H SER 3 -22.022 -14.225 -11.670 10 HA SER 3 HA SER 3 -20.289 -15.503 -13.479 11 HB2 SER 3 1HB SER 3 -22.558 -13.555 -13.926 12 HB3 SER 3 2HB SER 3 -21.716 -14.380 -15.237 13 HG SER 3 HG SER 3 -23.086 -15.926 -14.873 14 H GLY 4 H GLY 4 -20.886 -12.043 -12.886 15 HA2 GLY 4 1HA GLY 4 -19.132 -10.429 -12.877 16 HA3 GLY 4 2HA GLY 4 -18.191 -11.491 -13.915 17 H SER 5 H SER 5 -18.116 -9.071 -14.785 18 HA SER 5 HA SER 5 -20.152 -8.904 -16.910 19 HB2 SER 5 1HB SER 5 -20.082 -6.519 -16.816 20 HB3 SER 5 2HB SER 5 -20.250 -7.077 -15.151 21 HG SER 5 HG SER 5 -18.568 -5.842 -14.851 22 H SER 6 H SER 6 -19.374 -7.701 -18.863 23 HA SER 6 HA SER 6 -16.494 -8.082 -19.321 24 HB2 SER 6 1HB SER 6 -18.736 -8.955 -21.159 25 HB3 SER 6 2HB SER 6 -17.029 -8.938 -21.604 26 HG SER 6 HG SER 6 -18.247 -10.466 -19.545 27 H GLY 7 H GLY 7 -15.655 -6.859 -21.166 28 HA2 GLY 7 1HA GLY 7 -16.711 -5.087 -22.826 29 HA3 GLY 7 2HA GLY 7 -16.953 -4.246 -21.302 30 H GLU 8 H GLU 8 -15.353 -3.389 -23.545 31 HA GLU 8 HA GLU 8 -12.592 -3.808 -22.909 32 HB2 GLU 8 1HB GLU 8 -13.438 -3.280 -25.201 33 HB3 GLU 8 2HB GLU 8 -13.813 -1.656 -24.643 34 HG2 GLU 8 1HG GLU 8 -11.591 -1.060 -24.461 35 HG3 GLU 8 2HG GLU 8 -11.045 -2.733 -24.348 36 H GLU 9 H GLU 9 -11.472 -2.848 -21.357 37 HA GLU 9 HA GLU 9 -12.614 -0.608 -19.916 38 HB2 GLU 9 1HB GLU 9 -10.861 -0.962 -18.305 39 HB3 GLU 9 2HB GLU 9 -11.546 -2.522 -18.737 40 HG2 GLU 9 1HG GLU 9 -9.270 -2.926 -18.710 41 HG3 GLU 9 2HG GLU 9 -9.615 -2.677 -20.421 42 HA PRO 10 HA PRO 10 -10.306 2.604 -21.821 43 HB2 PRO 10 1HB PRO 10 -9.978 4.304 -19.730 44 HB3 PRO 10 2HB PRO 10 -11.530 4.069 -20.542 45 HG2 PRO 10 1HG PRO 10 -10.530 2.876 -17.984 46 HG3 PRO 10 2HG PRO 10 -12.130 3.542 -18.358 47 HD2 PRO 10 1HD PRO 10 -11.625 0.881 -18.344 48 HD3 PRO 10 2HD PRO 10 -12.816 1.621 -19.433 49 H SER 11 H SER 11 -8.300 1.907 -22.405 50 HA SER 11 HA SER 11 -6.269 1.019 -20.721 51 HB2 SER 11 1HB SER 11 -6.253 2.205 -23.487 52 HB3 SER 11 2HB SER 11 -4.748 1.757 -22.685 53 HG SER 11 HG SER 11 -6.936 0.077 -23.338 54 H GLY 12 H GLY 12 -4.442 1.996 -19.835 55 HA2 GLY 12 1HA GLY 12 -3.111 4.136 -19.786 56 HA3 GLY 12 2HA GLY 12 -4.660 4.928 -19.542 57 H VAL 13 H VAL 13 -2.230 4.864 -17.858 58 HA VAL 13 HA VAL 13 -2.506 3.232 -15.619 59 HB VAL 13 HB VAL 13 -1.419 6.048 -15.753 60 HG11 VAL 13 1HG1 VAL 13 -0.689 4.001 -13.690 61 HG12 VAL 13 2HG1 VAL 13 -0.456 5.750 -13.654 62 HG13 VAL 13 3HG1 VAL 13 -2.072 5.070 -13.461 63 HG21 VAL 13 1HG2 VAL 13 0.504 3.904 -15.490 64 HG22 VAL 13 2HG2 VAL 13 -0.478 3.718 -16.943 65 HG23 VAL 13 3HG2 VAL 13 0.427 5.208 -16.675 66 H GLU 14 H GLU 14 -3.877 6.441 -16.264 67 HA GLU 14 HA GLU 14 -5.056 6.919 -13.796 68 HB2 GLU 14 1HB GLU 14 -6.148 7.683 -16.510 69 HB3 GLU 14 2HB GLU 14 -6.575 8.429 -14.977 70 HG2 GLU 14 1HG GLU 14 -5.052 9.931 -15.756 71 HG3 GLU 14 2HG GLU 14 -3.998 8.868 -14.825 72 H GLY 15 H GLY 15 -6.409 5.242 -16.625 73 HA2 GLY 15 1HA GLY 15 -8.967 4.747 -15.754 74 HA3 GLY 15 2HA GLY 15 -8.049 3.634 -16.757 75 H ALA 16 H ALA 16 -6.073 2.819 -15.022 76 HA ALA 16 HA ALA 16 -7.035 0.664 -13.740 77 HB1 ALA 16 1HB ALA 16 -4.833 2.357 -12.571 78 HB2 ALA 16 2HB ALA 16 -5.065 0.618 -12.380 79 HB3 ALA 16 3HB ALA 16 -4.633 1.283 -13.956 80 H ALA 17 H ALA 17 -7.120 3.954 -12.521 81 HA ALA 17 HA ALA 17 -7.959 3.281 -9.882 82 HB1 ALA 17 1HB ALA 17 -8.207 5.876 -11.399 83 HB2 ALA 17 2HB ALA 17 -8.478 5.671 -9.668 84 HB3 ALA 17 3HB ALA 17 -6.873 5.402 -10.347 85 H PHE 18 H PHE 18 -9.674 4.383 -12.792 86 HA PHE 18 HA PHE 18 -12.202 4.755 -11.944 87 HB2 PHE 18 1HB PHE 18 -11.982 4.992 -14.233 88 HB3 PHE 18 2HB PHE 18 -11.113 3.471 -14.412 89 HD1 PHE 18 2HD PHE 18 -14.431 5.000 -13.983 90 HD2 PHE 18 1HD PHE 18 -12.264 1.429 -14.799 91 HE1 PHE 18 2HE PHE 18 -16.516 3.899 -14.687 92 HE2 PHE 18 1HE PHE 18 -14.345 0.323 -15.506 93 HZ PHE 18 HZ PHE 18 -16.475 1.558 -15.449 94 H GLN 19 H GLN 19 -11.074 1.535 -12.993 95 HA GLN 19 HA GLN 19 -13.166 -0.027 -12.344 96 HB2 GLN 19 1HB GLN 19 -11.716 -1.847 -12.217 97 HB3 GLN 19 2HB GLN 19 -10.805 -0.682 -13.168 98 HG2 GLN 19 1HG GLN 19 -9.182 -1.323 -11.725 99 HG3 GLN 19 2HG GLN 19 -9.880 -0.001 -10.791 100 HE21 GLN 19 1HE2 GLN 19 -8.941 -1.079 -8.953 101 HE22 GLN 19 2HE2 GLN 19 -9.779 -2.396 -8.213 102 H SER 20 H SER 20 -10.937 1.448 -10.067 103 HA SER 20 HA SER 20 -12.353 0.204 -7.824 104 HB2 SER 20 1HB SER 20 -9.726 0.434 -8.120 105 HB3 SER 20 2HB SER 20 -10.019 2.024 -7.416 106 HG SER 20 HG SER 20 -10.088 -0.451 -6.247 107 H ARG 21 H ARG 21 -13.626 1.321 -6.453 108 HA ARG 21 HA ARG 21 -14.591 3.877 -7.236 109 HB2 ARG 21 1HB ARG 21 -15.079 2.088 -4.871 110 HB3 ARG 21 2HB ARG 21 -15.757 3.710 -4.927 111 HG2 ARG 21 1HG ARG 21 -16.190 1.801 -7.187 112 HG3 ARG 21 2HG ARG 21 -17.185 1.725 -5.732 113 HD2 ARG 21 1HD ARG 21 -16.783 4.310 -7.193 114 HD3 ARG 21 2HD ARG 21 -17.998 3.149 -7.727 115 HE ARG 21 HE ARG 21 -18.239 3.694 -4.948 116 HH11 ARG 21 2HH1 ARG 21 -18.918 5.001 -8.103 117 HH12 ARG 21 1HH1 ARG 21 -20.259 5.956 -7.562 118 HH21 ARG 21 2HH2 ARG 21 -20.003 4.946 -4.224 119 HH22 ARG 21 1HH2 ARG 21 -20.875 5.924 -5.355 120 H LEU 22 H LEU 22 -12.407 4.907 -7.211 121 HA LEU 22 HA LEU 22 -12.164 6.592 -4.940 122 HB2 LEU 22 1HB LEU 22 -10.105 5.917 -4.036 123 HB3 LEU 22 2HB LEU 22 -11.075 4.451 -4.163 124 HG LEU 22 HG LEU 22 -9.765 4.217 -6.453 125 HD11 LEU 22 1HD1 LEU 22 -7.315 4.956 -5.570 126 HD12 LEU 22 2HD1 LEU 22 -8.305 6.280 -4.959 127 HD13 LEU 22 3HD1 LEU 22 -8.302 5.904 -6.682 128 HD21 LEU 22 1HD2 LEU 22 -8.965 3.469 -3.671 129 HD22 LEU 22 2HD2 LEU 22 -7.935 3.035 -5.035 130 HD23 LEU 22 3HD2 LEU 22 -9.600 2.455 -4.967 131 HA PRO 23 HA PRO 23 -10.390 9.127 -8.068 132 HB2 PRO 23 1HB PRO 23 -9.190 10.991 -6.502 133 HB3 PRO 23 2HB PRO 23 -10.941 10.911 -6.729 134 HG2 PRO 23 1HG PRO 23 -9.275 9.890 -4.461 135 HG3 PRO 23 2HG PRO 23 -10.824 10.752 -4.412 136 HD2 PRO 23 1HD PRO 23 -10.642 8.066 -4.117 137 HD3 PRO 23 2HD PRO 23 -12.040 8.851 -4.879 138 H HIS 24 H HIS 24 -8.464 9.485 -9.133 139 HA HIS 24 HA HIS 24 -6.164 8.001 -8.099 140 HB2 HIS 24 1HB HIS 24 -5.343 7.955 -10.353 141 HB3 HIS 24 2HB HIS 24 -7.052 7.530 -10.400 142 HD1 HIS 24 1HD HIS 24 -8.551 8.954 -11.825 143 HD2 HIS 24 2HD HIS 24 -4.786 10.628 -11.292 144 HE1 HIS 24 1HE HIS 24 -8.464 10.926 -13.384 145 HE2 HIS 24 2HE HIS 24 -6.146 11.871 -13.106 146 H ASP 25 H ASP 25 -7.260 11.202 -8.668 147 HA ASP 25 HA ASP 25 -4.649 12.405 -8.817 148 HB2 ASP 25 1HB ASP 25 -6.058 14.540 -8.412 149 HB3 ASP 25 2HB ASP 25 -6.279 13.662 -9.923 150 H ARG 26 H ARG 26 -6.983 11.669 -6.327 151 HA ARG 26 HA ARG 26 -5.090 12.705 -4.325 152 HB2 ARG 26 1HB ARG 26 -6.916 13.450 -2.936 153 HB3 ARG 26 2HB ARG 26 -7.082 14.177 -4.528 154 HG2 ARG 26 1HG ARG 26 -8.678 12.243 -5.039 155 HG3 ARG 26 2HG ARG 26 -8.697 11.977 -3.295 156 HD2 ARG 26 1HD ARG 26 -9.305 14.638 -4.564 157 HD3 ARG 26 2HD ARG 26 -10.544 13.433 -4.214 158 HE ARG 26 HE ARG 26 -8.897 14.120 -1.954 159 HH11 ARG 26 2HH1 ARG 26 -11.750 14.915 -3.784 160 HH12 ARG 26 1HH1 ARG 26 -12.531 15.721 -2.464 161 HH21 ARG 26 2HH2 ARG 26 -9.915 15.179 -0.208 162 HH22 ARG 26 1HH2 ARG 26 -11.486 15.872 -0.431 163 H MET 27 H MET 27 -5.698 11.761 -2.075 164 HA MET 27 HA MET 27 -5.970 8.863 -2.438 165 HB2 MET 27 1HB MET 27 -4.901 10.404 -0.067 166 HB3 MET 27 2HB MET 27 -4.879 8.657 -0.261 167 HG2 MET 27 1HG MET 27 -3.253 8.740 -1.927 168 HG3 MET 27 2HG MET 27 -3.529 10.452 -2.237 169 HE1 MET 27 1HE MET 27 -2.917 7.989 0.420 170 HE2 MET 27 2HE MET 27 -1.219 8.246 0.822 171 HE3 MET 27 3HE MET 27 -2.480 9.039 1.768 172 H THR 28 H THR 28 -7.047 7.672 -0.626 173 HA THR 28 HA THR 28 -9.455 9.139 0.230 174 HB THR 28 HB THR 28 -10.521 6.857 0.383 175 HG1 THR 28 1HG THR 28 -8.967 5.366 0.311 176 HG21 THR 28 1HG2 THR 28 -9.613 8.090 -2.189 177 HG22 THR 28 2HG2 THR 28 -11.224 8.054 -1.472 178 HG23 THR 28 3HG2 THR 28 -10.555 6.600 -2.212 179 H SER 29 H SER 29 -10.486 8.229 2.239 180 HA SER 29 HA SER 29 -8.969 8.584 4.460 181 HB2 SER 29 1HB SER 29 -10.678 7.366 5.727 182 HB3 SER 29 2HB SER 29 -11.428 8.376 4.492 183 HG SER 29 HG SER 29 -11.091 6.169 3.264 184 H GLN 30 H GLN 30 -9.262 5.645 2.576 185 HA GLN 30 HA GLN 30 -7.987 3.919 4.431 186 HB2 GLN 30 1HB GLN 30 -8.731 3.792 1.554 187 HB3 GLN 30 2HB GLN 30 -7.513 2.659 2.126 188 HG2 GLN 30 1HG GLN 30 -9.111 1.939 3.893 189 HG3 GLN 30 2HG GLN 30 -10.329 2.964 3.135 190 HE21 GLN 30 1HE2 GLN 30 -7.871 0.772 1.822 191 HE22 GLN 30 2HE2 GLN 30 -8.973 -0.198 0.913 192 H GLU 31 H GLU 31 -6.722 5.018 1.283 193 HA GLU 31 HA GLU 31 -4.085 4.341 1.679 194 HB2 GLU 31 1HB GLU 31 -5.155 6.721 0.151 195 HB3 GLU 31 2HB GLU 31 -3.535 6.057 -0.014 196 HG2 GLU 31 1HG GLU 31 -4.299 4.118 -1.048 197 HG3 GLU 31 2HG GLU 31 -5.951 4.357 -0.484 198 H ALA 32 H ALA 32 -5.725 7.344 2.583 199 HA ALA 32 HA ALA 32 -3.472 8.748 3.492 200 HB1 ALA 32 1HB ALA 32 -5.344 10.072 3.196 201 HB2 ALA 32 2HB ALA 32 -6.402 8.949 4.051 202 HB3 ALA 32 3HB ALA 32 -5.254 9.938 4.953 203 H ALA 33 H ALA 33 -5.584 6.428 5.091 204 HA ALA 33 HA ALA 33 -4.520 6.817 7.704 205 HB1 ALA 33 1HB ALA 33 -5.559 4.323 7.816 206 HB2 ALA 33 2HB ALA 33 -6.509 5.801 7.970 207 HB3 ALA 33 3HB ALA 33 -6.413 4.973 6.416 208 H CYS 34 H CYS 34 -3.881 4.489 5.110 209 HA CYS 34 HA CYS 34 -2.006 2.947 6.579 210 HB2 CYS 34 1HB CYS 34 -2.857 3.148 3.737 211 HB3 CYS 34 2HB CYS 34 -1.292 2.409 4.055 212 HG CYS 34 HG CYS 34 -4.342 1.165 4.467 213 H PHE 35 H PHE 35 -1.676 5.604 4.258 214 HA PHE 35 HA PHE 35 1.152 5.839 5.054 215 HB2 PHE 35 1HB PHE 35 -0.050 6.805 2.455 216 HB3 PHE 35 2HB PHE 35 1.657 6.726 2.879 217 HD1 PHE 35 2HD PHE 35 -1.329 4.551 2.435 218 HD2 PHE 35 1HD PHE 35 2.908 4.896 2.239 219 HE1 PHE 35 2HE PHE 35 -1.196 2.299 1.454 220 HE2 PHE 35 1HE PHE 35 3.049 2.644 1.256 221 HZ PHE 35 HZ PHE 35 0.996 1.343 0.863 222 HA PRO 36 HA PRO 36 -0.826 9.612 6.715 223 HB2 PRO 36 1HB PRO 36 0.951 9.892 8.748 224 HB3 PRO 36 2HB PRO 36 -0.456 8.826 8.842 225 HG2 PRO 36 1HG PRO 36 2.397 8.149 8.237 226 HG3 PRO 36 2HG PRO 36 1.241 7.297 9.278 227 HD2 PRO 36 1HD PRO 36 1.815 6.478 6.761 228 HD3 PRO 36 2HD PRO 36 0.215 6.254 7.497 229 H ASP 37 H ASP 37 2.676 9.018 6.426 230 HA ASP 37 HA ASP 37 3.504 11.676 6.291 231 HB2 ASP 37 1HB ASP 37 5.212 10.098 6.591 232 HB3 ASP 37 2HB ASP 37 4.665 9.112 5.238 233 H ILE 38 H ILE 38 2.470 9.476 3.719 234 HA ILE 38 HA ILE 38 3.031 11.178 1.550 235 HB ILE 38 HB ILE 38 0.898 9.049 1.747 236 HG12 ILE 38 1HG1 ILE 38 3.057 8.091 2.226 237 HG13 ILE 38 2HG1 ILE 38 2.611 7.641 0.584 238 HG21 ILE 38 1HG2 ILE 38 2.171 9.703 -0.832 239 HG22 ILE 38 2HG2 ILE 38 0.505 9.257 -0.467 240 HG23 ILE 38 3HG2 ILE 38 1.058 10.907 -0.185 241 HD11 ILE 38 1HD1 ILE 38 4.955 8.257 0.736 242 HD12 ILE 38 2HD1 ILE 38 4.069 9.383 -0.293 243 HD13 ILE 38 3HD1 ILE 38 4.507 9.847 1.351 244 H ILE 39 H ILE 39 -0.077 10.529 3.177 245 HA ILE 39 HA ILE 39 -1.556 12.463 1.782 246 HB ILE 39 HB ILE 39 -2.626 10.673 3.063 247 HG12 ILE 39 1HG1 ILE 39 -4.297 12.165 4.324 248 HG13 ILE 39 2HG1 ILE 39 -3.298 13.517 3.801 249 HG21 ILE 39 1HG2 ILE 39 -2.800 10.925 5.547 250 HG22 ILE 39 2HG2 ILE 39 -1.194 10.495 4.960 251 HG23 ILE 39 3HG2 ILE 39 -1.539 12.154 5.449 252 HD11 ILE 39 1HD1 ILE 39 -3.979 13.362 1.651 253 HD12 ILE 39 2HD1 ILE 39 -4.181 11.611 1.722 254 HD13 ILE 39 3HD1 ILE 39 -5.402 12.669 2.428 255 H SER 40 H SER 40 0.390 12.661 4.703 256 HA SER 40 HA SER 40 -0.398 15.422 5.168 257 HB2 SER 40 1HB SER 40 1.620 13.723 6.654 258 HB3 SER 40 2HB SER 40 0.976 15.279 7.177 259 HG SER 40 HG SER 40 -1.155 14.087 6.945 260 H GLY 41 H GLY 41 1.116 14.588 2.744 261 HA2 GLY 41 1HA GLY 41 3.482 16.314 3.148 262 HA3 GLY 41 2HA GLY 41 3.498 14.911 2.089 263 HA PRO 42 HA PRO 42 2.392 18.855 -0.253 264 HB2 PRO 42 1HB PRO 42 4.586 18.908 -1.850 265 HB3 PRO 42 2HB PRO 42 4.525 19.708 -0.275 266 HG2 PRO 42 1HG PRO 42 5.716 17.061 -1.010 267 HG3 PRO 42 2HG PRO 42 6.371 18.330 0.042 268 HD2 PRO 42 1HD PRO 42 5.160 16.112 1.015 269 HD3 PRO 42 2HD PRO 42 5.080 17.682 1.838 270 H GLN 43 H GLN 43 1.500 18.859 -2.296 271 HA GLN 43 HA GLN 43 0.442 16.663 -3.421 272 HB2 GLN 43 1HB GLN 43 1.276 19.280 -4.562 273 HB3 GLN 43 2HB GLN 43 0.822 18.014 -5.696 274 HG2 GLN 43 1HG GLN 43 -1.181 19.067 -5.386 275 HG3 GLN 43 2HG GLN 43 -1.279 17.794 -4.170 276 HE21 GLN 43 1HE2 GLN 43 -1.135 21.166 -4.764 277 HE22 GLN 43 2HE2 GLN 43 -1.287 21.689 -3.124 278 H GLN 44 H GLN 44 3.582 18.030 -4.401 279 HA GLN 44 HA GLN 44 4.347 16.352 -6.382 280 HB2 GLN 44 1HB GLN 44 5.865 18.046 -5.799 281 HB3 GLN 44 2HB GLN 44 5.932 17.533 -4.118 282 HG2 GLN 44 1HG GLN 44 6.881 15.622 -6.174 283 HG3 GLN 44 2HG GLN 44 7.882 17.034 -5.838 284 HE21 GLN 44 1HE2 GLN 44 6.754 13.999 -4.703 285 HE22 GLN 44 2HE2 GLN 44 7.683 13.947 -3.248 286 H THR 45 H THR 45 4.597 15.661 -2.908 287 HA THR 45 HA THR 45 5.717 13.069 -3.255 288 HB THR 45 HB THR 45 4.349 14.365 -0.896 289 HG1 THR 45 1HG THR 45 6.463 15.123 -1.538 290 HG21 THR 45 1HG2 THR 45 5.948 12.148 -0.112 291 HG22 THR 45 2HG2 THR 45 4.806 11.593 -1.337 292 HG23 THR 45 3HG2 THR 45 4.217 12.390 0.122 293 H GLN 46 H GLN 46 2.436 14.183 -2.427 294 HA GLN 46 HA GLN 46 1.168 11.753 -2.187 295 HB2 GLN 46 1HB GLN 46 0.193 14.400 -3.236 296 HB3 GLN 46 2HB GLN 46 -0.879 13.013 -3.095 297 HG2 GLN 46 1HG GLN 46 -0.419 12.899 -0.700 298 HG3 GLN 46 2HG GLN 46 0.653 14.291 -0.841 299 HE21 GLN 46 1HE2 GLN 46 -1.228 14.600 0.931 300 HE22 GLN 46 2HE2 GLN 46 -2.512 15.609 0.368 301 H LYS 47 H LYS 47 1.893 13.560 -5.137 302 HA LYS 47 HA LYS 47 0.503 11.903 -6.933 303 HB2 LYS 47 1HB LYS 47 2.948 13.628 -7.361 304 HB3 LYS 47 2HB LYS 47 2.022 12.882 -8.656 305 HG2 LYS 47 1HG LYS 47 0.015 14.137 -7.760 306 HG3 LYS 47 2HG LYS 47 1.154 15.043 -6.761 307 HD2 LYS 47 1HD LYS 47 1.507 14.801 -9.734 308 HD3 LYS 47 2HD LYS 47 0.482 16.048 -9.021 309 HE2 LYS 47 1HE LYS 47 2.475 16.701 -7.613 310 HE3 LYS 47 2HE LYS 47 3.438 15.630 -8.629 311 HZ1 LYS 47 1HZ LYS 47 3.344 17.044 -10.365 312 HZ2 LYS 47 2HZ LYS 47 3.094 18.200 -9.156 313 HZ3 LYS 47 3HZ LYS 47 1.777 17.576 -10.015 314 H VAL 48 H VAL 48 3.861 11.832 -5.797 315 HA VAL 48 HA VAL 48 4.843 9.799 -7.407 316 HB VAL 48 HB VAL 48 5.541 10.397 -4.529 317 HG11 VAL 48 1HG1 VAL 48 7.117 8.813 -4.568 318 HG12 VAL 48 2HG1 VAL 48 6.232 8.144 -5.940 319 HG13 VAL 48 3HG1 VAL 48 7.606 9.216 -6.213 320 HG21 VAL 48 1HG2 VAL 48 7.575 11.222 -6.265 321 HG22 VAL 48 2HG2 VAL 48 6.069 11.760 -7.008 322 HG23 VAL 48 3HG2 VAL 48 6.460 12.245 -5.359 323 H PHE 49 H PHE 49 3.048 9.586 -4.368 324 HA PHE 49 HA PHE 49 3.215 6.719 -4.258 325 HB2 PHE 49 1HB PHE 49 2.993 7.567 -2.128 326 HB3 PHE 49 2HB PHE 49 1.902 8.851 -2.637 327 HD1 PHE 49 1HD PHE 49 -0.484 8.303 -3.128 328 HD2 PHE 49 2HD PHE 49 2.176 5.514 -1.322 329 HE1 PHE 49 1HE PHE 49 -2.406 6.981 -2.348 330 HE2 PHE 49 2HE PHE 49 0.258 4.186 -0.540 331 HZ PHE 49 HZ PHE 49 -2.037 4.918 -1.053 332 H LEU 50 H LEU 50 0.771 9.100 -5.182 333 HA LEU 50 HA LEU 50 -1.340 7.286 -5.616 334 HB2 LEU 50 1HB LEU 50 -0.733 10.052 -6.583 335 HB3 LEU 50 2HB LEU 50 -2.124 9.173 -7.212 336 HG LEU 50 HG LEU 50 -1.684 9.758 -4.287 337 HD11 LEU 50 1HD1 LEU 50 -2.062 11.725 -5.993 338 HD12 LEU 50 2HD1 LEU 50 -2.912 11.678 -4.449 339 HD13 LEU 50 3HD1 LEU 50 -3.732 11.164 -5.923 340 HD21 LEU 50 1HD2 LEU 50 -4.039 9.164 -4.086 341 HD22 LEU 50 2HD2 LEU 50 -3.107 7.826 -4.759 342 HD23 LEU 50 3HD2 LEU 50 -4.111 8.821 -5.815 343 H PHE 51 H PHE 51 1.533 7.804 -7.330 344 HA PHE 51 HA PHE 51 0.449 6.826 -9.858 345 HB2 PHE 51 1HB PHE 51 2.045 8.694 -9.929 346 HB3 PHE 51 2HB PHE 51 3.256 7.693 -9.135 347 HD1 PHE 51 1HD PHE 51 3.793 5.431 -10.363 348 HD2 PHE 51 2HD PHE 51 2.067 8.851 -12.219 349 HE1 PHE 51 1HE PHE 51 4.564 4.625 -12.556 350 HE2 PHE 51 2HE PHE 51 2.835 8.050 -14.415 351 HZ PHE 51 HZ PHE 51 4.085 5.935 -14.586 352 H ILE 52 H ILE 52 2.711 5.881 -7.316 353 HA ILE 52 HA ILE 52 3.688 3.534 -8.479 354 HB ILE 52 HB ILE 52 3.291 4.230 -5.570 355 HG12 ILE 52 1HG1 ILE 52 5.919 4.060 -7.002 356 HG13 ILE 52 2HG1 ILE 52 4.921 5.498 -7.187 357 HG21 ILE 52 1HG2 ILE 52 3.679 2.086 -5.118 358 HG22 ILE 52 2HG2 ILE 52 4.036 1.724 -6.806 359 HG23 ILE 52 3HG2 ILE 52 5.307 2.334 -5.747 360 HD11 ILE 52 1HD1 ILE 52 5.906 6.261 -5.357 361 HD12 ILE 52 2HD1 ILE 52 4.975 5.063 -4.458 362 HD13 ILE 52 3HD1 ILE 52 6.612 4.687 -4.994 363 H ARG 53 H ARG 53 0.817 4.105 -6.495 364 HA ARG 53 HA ARG 53 0.065 1.378 -6.277 365 HB2 ARG 53 1HB ARG 53 -0.819 2.921 -4.684 366 HB3 ARG 53 2HB ARG 53 -1.477 3.949 -5.949 367 HG2 ARG 53 1HG ARG 53 -2.821 1.744 -6.532 368 HG3 ARG 53 2HG ARG 53 -2.522 1.416 -4.824 369 HD2 ARG 53 1HD ARG 53 -4.479 2.570 -4.641 370 HD3 ARG 53 2HD ARG 53 -3.344 3.918 -4.576 371 HE ARG 53 HE ARG 53 -4.310 3.227 -7.216 372 HH11 ARG 53 2HH1 ARG 53 -4.710 5.211 -4.384 373 HH12 ARG 53 1HH1 ARG 53 -5.614 6.436 -5.210 374 HH21 ARG 53 2HH2 ARG 53 -5.500 4.833 -8.315 375 HH22 ARG 53 1HH2 ARG 53 -6.064 6.220 -7.446 376 H ASN 54 H ASN 54 -1.183 4.017 -8.325 377 HA ASN 54 HA ASN 54 -3.034 2.555 -9.779 378 HB2 ASN 54 1HB ASN 54 -1.434 5.019 -10.353 379 HB3 ASN 54 2HB ASN 54 -2.390 4.299 -11.645 380 HD21 ASN 54 1HD2 ASN 54 -2.529 6.785 -9.821 381 HD22 ASN 54 2HD2 ASN 54 -4.191 6.826 -9.350 382 H ARG 55 H ARG 55 0.393 3.143 -10.527 383 HA ARG 55 HA ARG 55 0.462 1.707 -12.937 384 HB2 ARG 55 1HB ARG 55 2.219 3.293 -12.130 385 HB3 ARG 55 2HB ARG 55 2.732 2.068 -10.977 386 HG2 ARG 55 1HG ARG 55 4.223 1.817 -12.732 387 HG3 ARG 55 2HG ARG 55 3.027 0.554 -13.032 388 HD2 ARG 55 1HD ARG 55 1.875 2.095 -14.601 389 HD3 ARG 55 2HD ARG 55 3.180 3.256 -14.361 390 HE ARG 55 HE ARG 55 4.572 1.935 -15.653 391 HH11 ARG 55 2HH1 ARG 55 1.558 0.303 -15.047 392 HH12 ARG 55 1HH1 ARG 55 1.838 -0.932 -16.229 393 HH21 ARG 55 2HH2 ARG 55 4.953 0.316 -17.214 394 HH22 ARG 55 1HH2 ARG 55 3.770 -0.924 -17.461 395 H THR 56 H THR 56 1.126 0.699 -9.604 396 HA THR 56 HA THR 56 2.052 -1.861 -10.025 397 HB THR 56 HB THR 56 0.223 -0.906 -7.814 398 HG1 THR 56 1HG THR 56 1.989 0.040 -7.158 399 HG21 THR 56 1HG2 THR 56 0.096 -3.257 -7.742 400 HG22 THR 56 2HG2 THR 56 1.341 -2.835 -6.566 401 HG23 THR 56 3HG2 THR 56 1.799 -3.444 -8.156 402 H LEU 57 H LEU 57 -1.293 -0.720 -9.978 403 HA LEU 57 HA LEU 57 -2.459 -3.306 -10.226 404 HB2 LEU 57 1HB LEU 57 -3.437 -0.501 -10.522 405 HB3 LEU 57 2HB LEU 57 -4.446 -1.836 -11.073 406 HG LEU 57 HG LEU 57 -3.382 -1.690 -8.264 407 HD11 LEU 57 1HD1 LEU 57 -5.415 -0.042 -9.506 408 HD12 LEU 57 2HD1 LEU 57 -4.686 0.075 -7.905 409 HD13 LEU 57 3HD1 LEU 57 -6.058 -0.999 -8.172 410 HD21 LEU 57 1HD2 LEU 57 -4.172 -3.817 -8.536 411 HD22 LEU 57 2HD2 LEU 57 -5.351 -3.344 -9.759 412 HD23 LEU 57 3HD2 LEU 57 -5.661 -3.001 -8.057 413 H GLN 58 H GLN 58 -1.858 -0.677 -12.546 414 HA GLN 58 HA GLN 58 -2.933 -1.603 -14.835 415 HB2 GLN 58 1HB GLN 58 -0.346 -0.208 -14.296 416 HB3 GLN 58 2HB GLN 58 -0.694 -0.747 -15.933 417 HG2 GLN 58 1HG GLN 58 -2.763 0.820 -14.486 418 HG3 GLN 58 2HG GLN 58 -1.343 1.660 -15.107 419 HE21 GLN 58 1HE2 GLN 58 -4.419 0.845 -15.805 420 HE22 GLN 58 2HE2 GLN 58 -4.355 0.872 -17.531 421 H LEU 59 H LEU 59 0.311 -2.556 -13.699 422 HA LEU 59 HA LEU 59 0.799 -4.453 -15.702 423 HB2 LEU 59 1HB LEU 59 1.837 -4.576 -12.879 424 HB3 LEU 59 2HB LEU 59 2.581 -5.249 -14.328 425 HG LEU 59 HG LEU 59 2.190 -2.290 -14.030 426 HD11 LEU 59 1HD1 LEU 59 3.869 -2.042 -12.583 427 HD12 LEU 59 2HD1 LEU 59 4.851 -3.275 -13.373 428 HD13 LEU 59 3HD1 LEU 59 3.625 -3.745 -12.195 429 HD21 LEU 59 1HD2 LEU 59 3.324 -4.056 -15.972 430 HD22 LEU 59 2HD2 LEU 59 4.587 -3.010 -15.324 431 HD23 LEU 59 3HD2 LEU 59 3.136 -2.303 -16.036 432 H TRP 60 H TRP 60 -0.888 -4.688 -12.635 433 HA TRP 60 HA TRP 60 -1.081 -7.534 -12.626 434 HB2 TRP 60 1HB TRP 60 -1.370 -6.674 -10.502 435 HB3 TRP 60 2HB TRP 60 -2.319 -5.304 -11.071 436 HD1 TRP 60 HD TRP 60 -4.924 -5.568 -11.125 437 HE1 TRP 60 1HE TRP 60 -6.541 -7.411 -10.342 438 HE3 TRP 60 3HE TRP 60 -1.545 -9.314 -10.297 439 HZ2 TRP 60 2HZ TRP 60 -6.403 -10.097 -9.486 440 HZ3 TRP 60 3HZ TRP 60 -2.369 -11.490 -9.496 441 HH2 TRP 60 HH TRP 60 -4.748 -11.871 -9.099 442 H LEU 61 H LEU 61 -3.014 -4.930 -13.937 443 HA LEU 61 HA LEU 61 -5.368 -6.409 -14.437 444 HB2 LEU 61 1HB LEU 61 -4.219 -3.838 -15.367 445 HB3 LEU 61 2HB LEU 61 -5.504 -4.550 -16.341 446 HG LEU 61 HG LEU 61 -5.717 -3.828 -13.418 447 HD11 LEU 61 1HD1 LEU 61 -6.112 -2.308 -15.872 448 HD12 LEU 61 2HD1 LEU 61 -5.971 -1.755 -14.203 449 HD13 LEU 61 3HD1 LEU 61 -7.526 -2.316 -14.817 450 HD21 LEU 61 1HD2 LEU 61 -7.617 -4.975 -13.356 451 HD22 LEU 61 2HD2 LEU 61 -7.201 -5.653 -14.930 452 HD23 LEU 61 3HD2 LEU 61 -8.195 -4.199 -14.831 453 H ASP 62 H ASP 62 -2.336 -6.138 -16.112 454 HA ASP 62 HA ASP 62 -3.397 -7.523 -18.459 455 HB2 ASP 62 1HB ASP 62 -1.764 -5.501 -18.520 456 HB3 ASP 62 2HB ASP 62 -0.530 -6.692 -18.120 457 H ASN 63 H ASN 63 -1.689 -8.133 -15.560 458 HA ASN 63 HA ASN 63 -1.140 -10.877 -16.470 459 HB2 ASN 63 1HB ASN 63 0.695 -8.919 -15.229 460 HB3 ASN 63 2HB ASN 63 0.762 -10.548 -14.565 461 HD21 ASN 63 1HD2 ASN 63 1.244 -12.292 -15.994 462 HD22 ASN 63 2HD2 ASN 63 2.161 -12.012 -17.431 463 HA PRO 64 HA PRO 64 -3.576 -10.459 -12.398 464 HB2 PRO 64 1HB PRO 64 -6.013 -11.207 -13.332 465 HB3 PRO 64 2HB PRO 64 -5.480 -9.523 -13.281 466 HG2 PRO 64 1HG PRO 64 -5.507 -11.432 -15.587 467 HG3 PRO 64 2HG PRO 64 -5.976 -9.722 -15.544 468 HD2 PRO 64 1HD PRO 64 -3.580 -10.553 -16.495 469 HD3 PRO 64 2HD PRO 64 -3.794 -8.991 -15.679 470 H LYS 65 H LYS 65 -3.066 -12.741 -14.911 471 HA LYS 65 HA LYS 65 -4.121 -14.995 -13.422 472 HB2 LYS 65 1HB LYS 65 -3.235 -16.327 -15.339 473 HB3 LYS 65 2HB LYS 65 -4.377 -15.075 -15.809 474 HG2 LYS 65 1HG LYS 65 -2.753 -13.781 -16.812 475 HG3 LYS 65 2HG LYS 65 -1.447 -14.508 -15.873 476 HD2 LYS 65 1HD LYS 65 -3.041 -16.045 -17.912 477 HD3 LYS 65 2HD LYS 65 -1.570 -15.159 -18.319 478 HE2 LYS 65 1HE LYS 65 -1.477 -17.045 -16.025 479 HE3 LYS 65 2HE LYS 65 -1.528 -17.724 -17.651 480 HZ1 LYS 65 1HZ LYS 65 0.366 -15.988 -18.045 481 HZ2 LYS 65 2HZ LYS 65 0.707 -17.493 -17.352 482 HZ3 LYS 65 3HZ LYS 65 0.567 -16.122 -16.370 483 H ILE 66 H ILE 66 -1.543 -13.185 -12.909 484 HA ILE 66 HA ILE 66 0.000 -15.425 -11.834 485 HB ILE 66 HB ILE 66 2.109 -14.568 -12.623 486 HG12 ILE 66 1HG1 ILE 66 0.632 -12.493 -14.235 487 HG13 ILE 66 2HG1 ILE 66 1.271 -12.149 -12.632 488 HG21 ILE 66 1HG2 ILE 66 1.572 -14.659 -15.195 489 HG22 ILE 66 2HG2 ILE 66 1.392 -16.087 -14.178 490 HG23 ILE 66 3HG2 ILE 66 -0.025 -15.134 -14.618 491 HD11 ILE 66 1HD1 ILE 66 2.801 -12.886 -15.106 492 HD12 ILE 66 2HD1 ILE 66 2.861 -11.377 -14.195 493 HD13 ILE 66 3HD1 ILE 66 3.518 -12.856 -13.495 494 H GLN 67 H GLN 67 1.578 -14.750 -10.201 495 HA GLN 67 HA GLN 67 0.462 -12.714 -8.500 496 HB2 GLN 67 1HB GLN 67 1.888 -13.528 -6.818 497 HB3 GLN 67 2HB GLN 67 1.446 -14.951 -7.751 498 HG2 GLN 67 1HG GLN 67 4.030 -13.419 -7.921 499 HG3 GLN 67 2HG GLN 67 3.789 -15.016 -7.216 500 HE21 GLN 67 1HE2 GLN 67 4.893 -13.442 -9.855 501 HE22 GLN 67 2HE2 GLN 67 4.719 -14.687 -11.041 502 H LEU 68 H LEU 68 1.158 -10.686 -8.211 503 HA LEU 68 HA LEU 68 3.444 -9.792 -9.802 504 HB2 LEU 68 1HB LEU 68 1.192 -8.681 -9.959 505 HB3 LEU 68 2HB LEU 68 1.445 -8.103 -8.313 506 HG LEU 68 HG LEU 68 3.476 -6.899 -9.127 507 HD11 LEU 68 1HD1 LEU 68 4.214 -7.830 -11.070 508 HD12 LEU 68 2HD1 LEU 68 3.253 -6.507 -11.730 509 HD13 LEU 68 3HD1 LEU 68 2.586 -8.139 -11.675 510 HD21 LEU 68 1HD2 LEU 68 1.787 -5.463 -10.777 511 HD22 LEU 68 2HD2 LEU 68 1.967 -5.262 -9.034 512 HD23 LEU 68 3HD2 LEU 68 0.691 -6.297 -9.676 513 H THR 69 H THR 69 5.232 -10.282 -8.601 514 HA THR 69 HA THR 69 5.431 -9.886 -5.799 515 HB THR 69 HB THR 69 7.763 -10.389 -6.016 516 HG1 THR 69 1HG THR 69 7.487 -10.094 -8.836 517 HG21 THR 69 1HG2 THR 69 7.710 -12.481 -7.238 518 HG22 THR 69 2HG2 THR 69 6.281 -11.957 -8.129 519 HG23 THR 69 3HG2 THR 69 6.178 -12.255 -6.394 520 H PHE 70 H PHE 70 7.205 -8.463 -4.858 521 HA PHE 70 HA PHE 70 6.583 -5.756 -5.427 522 HB2 PHE 70 1HB PHE 70 7.141 -6.067 -3.203 523 HB3 PHE 70 2HB PHE 70 8.470 -7.158 -3.580 524 HD1 PHE 70 2HD PHE 70 7.432 -3.651 -3.341 525 HD2 PHE 70 1HD PHE 70 10.665 -6.325 -4.059 526 HE1 PHE 70 2HE PHE 70 9.022 -1.791 -3.088 527 HE2 PHE 70 1HE PHE 70 12.261 -4.469 -3.806 528 HZ PHE 70 HZ PHE 70 11.440 -2.198 -3.321 529 H GLU 71 H GLU 71 9.414 -7.780 -6.079 530 HA GLU 71 HA GLU 71 11.129 -5.847 -7.091 531 HB2 GLU 71 1HB GLU 71 10.821 -8.782 -7.472 532 HB3 GLU 71 2HB GLU 71 11.847 -7.921 -8.610 533 HG2 GLU 71 1HG GLU 71 13.059 -6.976 -6.606 534 HG3 GLU 71 2HG GLU 71 12.168 -8.147 -5.635 535 H ALA 72 H ALA 72 9.052 -8.020 -9.018 536 HA ALA 72 HA ALA 72 9.432 -6.984 -11.508 537 HB1 ALA 72 1HB ALA 72 7.829 -8.426 -12.035 538 HB2 ALA 72 2HB ALA 72 7.572 -8.698 -10.312 539 HB3 ALA 72 3HB ALA 72 6.622 -7.480 -11.163 540 H THR 73 H THR 73 6.810 -5.933 -9.322 541 HA THR 73 HA THR 73 5.805 -3.852 -10.802 542 HB THR 73 HB THR 73 6.132 -3.860 -7.795 543 HG1 THR 73 1HG THR 73 5.016 -5.702 -8.463 544 HG21 THR 73 1HG2 THR 73 4.790 -2.063 -9.685 545 HG22 THR 73 2HG2 THR 73 5.283 -1.788 -8.014 546 HG23 THR 73 3HG2 THR 73 3.767 -2.619 -8.362 547 H LEU 74 H LEU 74 8.596 -3.809 -8.627 548 HA LEU 74 HA LEU 74 9.092 -1.030 -8.809 549 HB2 LEU 74 1HB LEU 74 10.081 -2.113 -6.995 550 HB3 LEU 74 2HB LEU 74 10.736 -3.401 -8.004 551 HG LEU 74 HG LEU 74 12.151 -1.402 -9.009 552 HD11 LEU 74 1HD1 LEU 74 12.526 0.397 -7.652 553 HD12 LEU 74 2HD1 LEU 74 12.060 -0.467 -6.187 554 HD13 LEU 74 3HD1 LEU 74 10.822 0.102 -7.306 555 HD21 LEU 74 1HD2 LEU 74 12.734 -2.777 -6.388 556 HD22 LEU 74 2HD2 LEU 74 13.928 -1.968 -7.404 557 HD23 LEU 74 3HD2 LEU 74 13.085 -3.399 -8.001 558 H GLN 75 H GLN 75 10.741 -3.779 -10.377 559 HA GLN 75 HA GLN 75 12.497 -2.412 -11.978 560 HB2 GLN 75 1HB GLN 75 10.944 -4.916 -12.651 561 HB3 GLN 75 2HB GLN 75 12.346 -4.343 -13.544 562 HG2 GLN 75 1HG GLN 75 12.623 -4.746 -10.617 563 HG3 GLN 75 2HG GLN 75 12.544 -6.169 -11.655 564 HE21 GLN 75 1HE2 GLN 75 14.235 -3.097 -11.232 565 HE22 GLN 75 2HE2 GLN 75 15.748 -3.638 -11.866 566 H GLN 76 H GLN 76 9.182 -3.375 -12.868 567 HA GLN 76 HA GLN 76 9.166 -2.116 -15.378 568 HB2 GLN 76 1HB GLN 76 6.861 -2.748 -13.527 569 HB3 GLN 76 2HB GLN 76 6.696 -2.285 -15.216 570 HG2 GLN 76 1HG GLN 76 7.654 -4.281 -15.975 571 HG3 GLN 76 2HG GLN 76 8.310 -4.669 -14.385 572 HE21 GLN 76 1HE2 GLN 76 6.873 -5.362 -12.742 573 HE22 GLN 76 2HE2 GLN 76 5.353 -6.080 -13.142 574 H LEU 77 H LEU 77 8.285 -0.956 -12.165 575 HA LEU 77 HA LEU 77 7.058 1.438 -12.826 576 HB2 LEU 77 1HB LEU 77 8.541 0.403 -10.492 577 HB3 LEU 77 2HB LEU 77 8.368 2.154 -10.591 578 HG LEU 77 HG LEU 77 5.953 0.411 -10.855 579 HD11 LEU 77 1HD1 LEU 77 7.486 0.998 -8.354 580 HD12 LEU 77 2HD1 LEU 77 6.737 -0.509 -8.879 581 HD13 LEU 77 3HD1 LEU 77 5.731 0.826 -8.315 582 HD21 LEU 77 1HD2 LEU 77 5.036 2.430 -11.000 583 HD22 LEU 77 2HD2 LEU 77 6.559 3.219 -10.585 584 HD23 LEU 77 3HD2 LEU 77 5.468 2.678 -9.308 585 H GLU 78 H GLU 78 7.989 3.660 -12.486 586 HA GLU 78 HA GLU 78 10.756 3.863 -13.451 587 HB2 GLU 78 1HB GLU 78 10.083 5.672 -14.989 588 HB3 GLU 78 2HB GLU 78 9.340 4.134 -15.403 589 HG2 GLU 78 1HG GLU 78 7.256 4.832 -14.391 590 HG3 GLU 78 2HG GLU 78 7.991 6.350 -13.879 591 H ALA 79 H ALA 79 11.922 5.125 -12.174 592 HA ALA 79 HA ALA 79 11.086 6.407 -9.915 593 HB1 ALA 79 1HB ALA 79 13.491 6.145 -11.268 594 HB2 ALA 79 2HB ALA 79 13.251 7.888 -11.139 595 HB3 ALA 79 3HB ALA 79 13.246 6.887 -9.686 596 HA PRO 80 HA PRO 80 12.247 8.446 -8.941 597 HB2 PRO 80 1HB PRO 80 10.830 10.013 -7.237 598 HB3 PRO 80 2HB PRO 80 12.019 10.660 -8.373 599 HG2 PRO 80 1HG PRO 80 9.037 10.549 -8.610 600 HG3 PRO 80 2HG PRO 80 10.143 11.875 -9.013 601 HD2 PRO 80 1HD PRO 80 9.108 10.220 -10.890 602 HD3 PRO 80 2HD PRO 80 10.722 10.944 -11.040 603 H TYR 81 H TYR 81 9.121 7.540 -9.702 604 HA TYR 81 HA TYR 81 7.945 6.719 -7.349 605 HB2 TYR 81 1HB TYR 81 7.901 5.075 -9.879 606 HB3 TYR 81 2HB TYR 81 6.651 5.189 -8.645 607 HD1 TYR 81 1HD TYR 81 6.600 8.168 -8.294 608 HD2 TYR 81 2HD TYR 81 6.739 5.765 -11.802 609 HE1 TYR 81 1HE TYR 81 5.507 9.969 -9.563 610 HE2 TYR 81 2HE TYR 81 5.648 7.560 -13.082 611 HH TYR 81 HH TYR 81 4.079 10.124 -11.679 612 H ASN 82 H ASN 82 10.104 4.778 -9.421 613 HA ASN 82 HA ASN 82 10.283 2.645 -7.533 614 HB2 ASN 82 1HB ASN 82 12.014 1.748 -9.034 615 HB3 ASN 82 2HB ASN 82 10.584 2.249 -9.932 616 HD21 ASN 82 1HD2 ASN 82 12.041 2.256 -11.759 617 HD22 ASN 82 2HD2 ASN 82 13.021 3.648 -12.056 618 H SER 83 H SER 83 11.961 5.619 -8.007 619 HA SER 83 HA SER 83 14.465 5.206 -7.007 620 HB2 SER 83 1HB SER 83 13.487 7.402 -7.771 621 HB3 SER 83 2HB SER 83 12.729 7.543 -6.186 622 HG SER 83 HG SER 83 14.659 8.614 -6.069 623 H ASP 84 H ASP 84 11.549 5.847 -5.067 624 HA ASP 84 HA ASP 84 12.994 5.125 -2.638 625 HB2 ASP 84 1HB ASP 84 10.246 6.274 -3.131 626 HB3 ASP 84 2HB ASP 84 10.795 5.769 -1.535 627 H THR 85 H THR 85 13.270 2.902 -2.936 628 HA THR 85 HA THR 85 11.339 1.056 -3.691 629 HB THR 85 HB THR 85 12.687 -0.615 -2.365 630 HG1 THR 85 1HG THR 85 14.605 1.394 -1.955 631 HG21 THR 85 1HG2 THR 85 14.900 0.157 -3.704 632 HG22 THR 85 2HG2 THR 85 13.683 1.137 -4.522 633 HG23 THR 85 3HG2 THR 85 13.515 -0.617 -4.472 634 H VAL 86 H VAL 86 12.142 2.256 -0.449 635 HA VAL 86 HA VAL 86 10.570 0.658 1.125 636 HB VAL 86 HB VAL 86 12.085 2.587 1.842 637 HG11 VAL 86 1HG1 VAL 86 11.171 4.418 0.658 638 HG12 VAL 86 2HG1 VAL 86 9.544 4.090 1.258 639 HG13 VAL 86 3HG1 VAL 86 10.786 4.694 2.356 640 HG21 VAL 86 1HG2 VAL 86 10.713 2.996 3.913 641 HG22 VAL 86 2HG2 VAL 86 9.419 2.074 3.147 642 HG23 VAL 86 3HG2 VAL 86 10.965 1.300 3.498 643 H LEU 87 H LEU 87 9.563 3.316 -0.936 644 HA LEU 87 HA LEU 87 6.877 3.409 0.043 645 HB2 LEU 87 1HB LEU 87 8.275 5.198 -1.243 646 HB3 LEU 87 2HB LEU 87 7.667 4.370 -2.674 647 HG LEU 87 HG LEU 87 5.382 4.875 -2.026 648 HD11 LEU 87 1HD1 LEU 87 5.485 4.809 0.346 649 HD12 LEU 87 2HD1 LEU 87 5.010 6.446 -0.107 650 HD13 LEU 87 3HD1 LEU 87 6.668 6.117 0.395 651 HD21 LEU 87 1HD2 LEU 87 7.015 7.393 -1.806 652 HD22 LEU 87 2HD2 LEU 87 5.398 7.200 -2.483 653 HD23 LEU 87 3HD2 LEU 87 6.791 6.515 -3.319 654 H VAL 88 H VAL 88 8.391 2.098 -2.898 655 HA VAL 88 HA VAL 88 6.085 1.068 -4.086 656 HB VAL 88 HB VAL 88 8.898 -0.025 -4.244 657 HG11 VAL 88 1HG1 VAL 88 6.717 -0.362 -6.283 658 HG12 VAL 88 2HG1 VAL 88 8.260 -1.210 -6.173 659 HG13 VAL 88 3HG1 VAL 88 6.990 -1.533 -4.992 660 HG21 VAL 88 1HG2 VAL 88 9.027 1.291 -6.327 661 HG22 VAL 88 2HG2 VAL 88 7.443 1.978 -5.969 662 HG23 VAL 88 3HG2 VAL 88 8.808 2.305 -4.901 663 H HIS 89 H HIS 89 8.084 -0.186 -1.511 664 HA HIS 89 HA HIS 89 7.003 -2.835 -1.566 665 HB2 HIS 89 1HB HIS 89 9.250 -2.112 -0.585 666 HB3 HIS 89 2HB HIS 89 8.335 -1.522 0.800 667 HD1 HIS 89 1HD HIS 89 6.653 -3.540 1.813 668 HD2 HIS 89 2HD HIS 89 10.103 -4.642 -0.224 669 HE1 HIS 89 1HE HIS 89 7.127 -5.905 2.524 670 HE2 HIS 89 2HE HIS 89 9.266 -6.521 1.344 671 H ARG 90 H ARG 90 6.321 0.116 0.244 672 HA ARG 90 HA ARG 90 4.407 -1.092 1.984 673 HB2 ARG 90 1HB ARG 90 4.922 1.801 1.276 674 HB3 ARG 90 2HB ARG 90 3.799 1.273 2.522 675 HG2 ARG 90 1HG ARG 90 5.467 0.627 3.951 676 HG3 ARG 90 2HG ARG 90 6.620 0.336 2.646 677 HD2 ARG 90 1HD ARG 90 6.858 2.727 2.294 678 HD3 ARG 90 2HD ARG 90 5.647 3.049 3.534 679 HE ARG 90 HE ARG 90 7.735 1.512 4.632 680 HH11 ARG 90 2HH1 ARG 90 7.062 4.724 3.470 681 HH12 ARG 90 1HH1 ARG 90 8.234 5.482 4.496 682 HH21 ARG 90 2HH2 ARG 90 9.282 2.499 5.988 683 HH22 ARG 90 1HH2 ARG 90 9.497 4.215 5.927 684 H VAL 91 H VAL 91 4.182 0.877 -0.961 685 HA VAL 91 HA VAL 91 1.388 1.059 -1.076 686 HB VAL 91 HB VAL 91 3.379 1.038 -3.348 687 HG11 VAL 91 1HG1 VAL 91 0.859 2.485 -3.695 688 HG12 VAL 91 2HG1 VAL 91 1.730 1.435 -4.814 689 HG13 VAL 91 3HG1 VAL 91 0.677 0.734 -3.584 690 HG21 VAL 91 1HG2 VAL 91 2.570 3.600 -3.085 691 HG22 VAL 91 2HG2 VAL 91 2.498 3.070 -1.405 692 HG23 VAL 91 3HG2 VAL 91 4.008 2.939 -2.307 693 H HIS 92 H HIS 92 3.531 -1.154 -2.880 694 HA HIS 92 HA HIS 92 1.630 -2.698 -4.122 695 HB2 HIS 92 1HB HIS 92 4.132 -2.851 -4.398 696 HB3 HIS 92 2HB HIS 92 4.170 -3.811 -2.922 697 HD1 HIS 92 1HD HIS 92 3.041 -6.187 -3.038 698 HD2 HIS 92 2HD HIS 92 3.369 -4.209 -6.677 699 HE1 HIS 92 1HE HIS 92 2.644 -7.941 -4.795 700 HE2 HIS 92 2HE HIS 92 2.931 -6.739 -6.990 701 H SER 93 H SER 93 2.667 -2.795 -0.781 702 HA SER 93 HA SER 93 1.456 -5.273 -0.113 703 HB2 SER 93 1HB SER 93 2.529 -2.950 1.441 704 HB3 SER 93 2HB SER 93 1.555 -4.162 2.274 705 HG SER 93 HG SER 93 3.031 -5.743 1.507 706 H TYR 94 H TYR 94 0.459 -1.955 0.748 707 HA TYR 94 HA TYR 94 -1.947 -2.377 1.884 708 HB2 TYR 94 1HB TYR 94 -1.459 -0.137 1.766 709 HB3 TYR 94 2HB TYR 94 -0.930 -0.229 0.090 710 HD1 TYR 94 2HD TYR 94 -2.617 -0.266 -1.735 711 HD2 TYR 94 1HD TYR 94 -3.717 0.386 2.323 712 HE1 TYR 94 2HE TYR 94 -4.784 0.632 -2.473 713 HE2 TYR 94 1HE TYR 94 -5.889 1.284 1.596 714 HH TYR 94 HH TYR 94 -6.878 1.194 -1.777 715 H LEU 95 H LEU 95 -1.243 -2.584 -1.559 716 HA LEU 95 HA LEU 95 -3.932 -2.881 -2.416 717 HB2 LEU 95 1HB LEU 95 -1.311 -3.638 -3.687 718 HB3 LEU 95 2HB LEU 95 -2.869 -3.822 -4.491 719 HG LEU 95 HG LEU 95 -2.061 -1.139 -3.456 720 HD11 LEU 95 1HD1 LEU 95 -1.054 -0.701 -5.706 721 HD12 LEU 95 2HD1 LEU 95 -1.057 -2.443 -5.977 722 HD13 LEU 95 3HD1 LEU 95 -0.105 -1.757 -4.661 723 HD21 LEU 95 1HD2 LEU 95 -3.268 -1.058 -5.991 724 HD22 LEU 95 2HD2 LEU 95 -3.980 -0.616 -4.439 725 HD23 LEU 95 3HD2 LEU 95 -4.157 -2.260 -5.056 726 H GLU 96 H GLU 96 -1.328 -5.323 -2.334 727 HA GLU 96 HA GLU 96 -2.940 -7.547 -2.729 728 HB2 GLU 96 1HB GLU 96 -0.610 -7.849 -2.948 729 HB3 GLU 96 2HB GLU 96 -0.291 -7.200 -1.345 730 HG2 GLU 96 1HG GLU 96 -0.195 -9.781 -1.836 731 HG3 GLU 96 2HG GLU 96 -0.783 -9.153 -0.297 732 H ARG 97 H ARG 97 -1.601 -6.462 0.398 733 HA ARG 97 HA ARG 97 -2.827 -8.158 2.114 734 HB2 ARG 97 1HB ARG 97 -2.132 -5.260 2.327 735 HB3 ARG 97 2HB ARG 97 -3.048 -6.006 3.630 736 HG2 ARG 97 1HG ARG 97 -0.552 -7.315 2.659 737 HG3 ARG 97 2HG ARG 97 -0.448 -5.913 3.726 738 HD2 ARG 97 1HD ARG 97 -1.794 -7.042 5.392 739 HD3 ARG 97 2HD ARG 97 -2.024 -8.416 4.312 740 HE ARG 97 HE ARG 97 0.230 -7.911 5.980 741 HH11 ARG 97 2HH1 ARG 97 -0.748 -9.317 2.949 742 HH12 ARG 97 1HH1 ARG 97 0.579 -10.430 2.888 743 HH21 ARG 97 2HH2 ARG 97 1.981 -9.372 5.911 744 HH22 ARG 97 1HH2 ARG 97 2.129 -10.461 4.574 745 H HIS 98 H HIS 98 -4.274 -5.124 0.931 746 HA HIS 98 HA HIS 98 -6.763 -5.471 2.199 747 HB2 HIS 98 1HB HIS 98 -5.946 -3.870 -0.227 748 HB3 HIS 98 2HB HIS 98 -7.571 -3.818 0.451 749 HD1 HIS 98 1HD HIS 98 -7.555 -1.456 1.320 750 HD2 HIS 98 2HD HIS 98 -4.308 -3.681 2.651 751 HE1 HIS 98 1HE HIS 98 -6.431 -0.031 3.061 752 HE2 HIS 98 2HE HIS 98 -4.421 -1.362 3.790 753 H GLY 99 H GLY 99 -5.596 -6.396 -1.011 754 HA2 GLY 99 1HA GLY 99 -6.449 -8.528 -1.886 755 HA3 GLY 99 2HA GLY 99 -8.034 -8.039 -1.306 756 H LEU 100 H LEU 100 -5.722 -5.980 -2.991 757 HA LEU 100 HA LEU 100 -7.718 -5.617 -5.113 758 HB2 LEU 100 1HB LEU 100 -5.311 -3.882 -4.703 759 HB3 LEU 100 2HB LEU 100 -6.833 -3.492 -5.502 760 HG LEU 100 HG LEU 100 -6.129 -3.438 -2.614 761 HD11 LEU 100 1HD1 LEU 100 -7.727 -1.463 -2.801 762 HD12 LEU 100 2HD1 LEU 100 -7.655 -1.720 -4.544 763 HD13 LEU 100 3HD1 LEU 100 -6.185 -1.337 -3.648 764 HD21 LEU 100 1HD2 LEU 100 -8.831 -3.281 -2.498 765 HD22 LEU 100 2HD2 LEU 100 -7.899 -4.726 -2.105 766 HD23 LEU 100 3HD2 LEU 100 -8.620 -4.549 -3.706 767 H ILE 101 H ILE 101 -4.838 -7.198 -4.497 768 HA ILE 101 HA ILE 101 -4.467 -7.749 -7.325 769 HB ILE 101 HB ILE 101 -2.014 -7.384 -7.204 770 HG12 ILE 101 1HG1 ILE 101 -2.582 -5.789 -4.705 771 HG13 ILE 101 2HG1 ILE 101 -1.984 -7.444 -4.660 772 HG21 ILE 101 1HG2 ILE 101 -2.110 -5.103 -7.727 773 HG22 ILE 101 2HG2 ILE 101 -3.725 -5.709 -8.091 774 HG23 ILE 101 3HG2 ILE 101 -3.435 -4.811 -6.601 775 HD11 ILE 101 1HD1 ILE 101 -0.600 -4.942 -5.394 776 HD12 ILE 101 2HD1 ILE 101 -0.007 -6.363 -4.533 777 HD13 ILE 101 3HD1 ILE 101 -0.161 -6.397 -6.289 778 H ASN 102 H ASN 102 -3.073 -9.599 -7.715 779 HA ASN 102 HA ASN 102 -2.600 -11.799 -7.343 780 HB2 ASN 102 1HB ASN 102 -1.521 -10.621 -4.772 781 HB3 ASN 102 2HB ASN 102 -1.143 -12.230 -5.381 782 HD21 ASN 102 1HD2 ASN 102 1.057 -11.280 -5.154 783 HD22 ASN 102 2HD2 ASN 102 1.704 -10.437 -6.517 784 H PHE 103 H PHE 103 -5.181 -11.560 -6.989 785 HA PHE 103 HA PHE 103 -5.754 -13.039 -4.506 786 HB2 PHE 103 1HB PHE 103 -8.087 -12.034 -4.705 787 HB3 PHE 103 2HB PHE 103 -6.802 -10.934 -4.217 788 HD1 PHE 103 1HD PHE 103 -8.300 -12.174 -7.407 789 HD2 PHE 103 2HD PHE 103 -6.873 -8.853 -5.159 790 HE1 PHE 103 1HE PHE 103 -8.892 -10.669 -9.261 791 HE2 PHE 103 2HE PHE 103 -7.464 -7.343 -7.009 792 HZ PHE 103 HZ PHE 103 -8.475 -8.250 -9.063 793 H GLY 104 H GLY 104 -5.036 -14.039 -7.168 794 HA2 GLY 104 1HA GLY 104 -6.852 -16.156 -7.374 795 HA3 GLY 104 2HA GLY 104 -7.309 -14.950 -8.568 796 H ILE 105 H ILE 105 -4.109 -16.008 -7.440 797 HA ILE 105 HA ILE 105 -3.556 -17.009 -10.147 798 HB ILE 105 HB ILE 105 -1.411 -15.964 -10.231 799 HG12 ILE 105 1HG1 ILE 105 -0.935 -16.155 -7.785 800 HG13 ILE 105 2HG1 ILE 105 -0.499 -14.592 -8.467 801 HG21 ILE 105 1HG2 ILE 105 -3.678 -14.143 -9.515 802 HG22 ILE 105 2HG2 ILE 105 -2.099 -13.497 -9.956 803 HG23 ILE 105 3HG2 ILE 105 -2.993 -14.497 -11.101 804 HD11 ILE 105 1HD1 ILE 105 -2.331 -15.230 -6.338 805 HD12 ILE 105 2HD1 ILE 105 -1.644 -13.675 -6.810 806 HD13 ILE 105 3HD1 ILE 105 -3.110 -14.266 -7.592 807 H TYR 106 H TYR 106 -2.822 -17.042 -6.720 808 HA TYR 106 HA TYR 106 -1.550 -19.673 -7.084 809 HB2 TYR 106 1HB TYR 106 -0.165 -19.110 -5.051 810 HB3 TYR 106 2HB TYR 106 0.222 -18.184 -6.498 811 HD1 TYR 106 1HD TYR 106 -2.199 -17.880 -3.656 812 HD2 TYR 106 2HD TYR 106 0.717 -15.976 -6.100 813 HE1 TYR 106 1HE TYR 106 -2.515 -15.791 -2.396 814 HE2 TYR 106 2HE TYR 106 0.410 -13.883 -4.846 815 HH TYR 106 HH TYR 106 -0.404 -13.255 -2.481 816 H LYS 107 H LYS 107 -1.486 -20.869 -4.886 817 HA LYS 107 HA LYS 107 -4.203 -20.773 -3.798 818 HB2 LYS 107 1HB LYS 107 -3.625 -23.038 -2.884 819 HB3 LYS 107 2HB LYS 107 -3.606 -22.930 -4.639 820 HG2 LYS 107 1HG LYS 107 -1.133 -22.650 -4.525 821 HG3 LYS 107 2HG LYS 107 -1.231 -22.965 -2.791 822 HD2 LYS 107 1HD LYS 107 -2.382 -24.876 -4.801 823 HD3 LYS 107 2HD LYS 107 -0.676 -24.931 -4.348 824 HE2 LYS 107 1HE LYS 107 -1.175 -25.462 -2.118 825 HE3 LYS 107 2HE LYS 107 -2.858 -24.966 -2.286 826 HZ1 LYS 107 1HZ LYS 107 -2.473 -27.416 -2.242 827 HZ2 LYS 107 2HZ LYS 107 -1.693 -27.275 -3.735 828 HZ3 LYS 107 3HZ LYS 107 -3.328 -26.865 -3.594 829 H ARG 108 H ARG 108 -3.900 -19.008 -2.381 830 HA ARG 108 HA ARG 108 -2.280 -19.659 -0.008 831 HB2 ARG 108 1HB ARG 108 -1.624 -17.642 -1.596 832 HB3 ARG 108 2HB ARG 108 -2.884 -16.818 -0.688 833 HG2 ARG 108 1HG ARG 108 -0.730 -18.282 0.766 834 HG3 ARG 108 2HG ARG 108 -0.413 -16.682 0.094 835 HD2 ARG 108 1HD ARG 108 -1.134 -16.126 2.200 836 HD3 ARG 108 2HD ARG 108 -2.653 -16.070 1.306 837 HE ARG 108 HE ARG 108 -2.647 -18.590 2.184 838 HH11 ARG 108 2HH1 ARG 108 -1.981 -15.590 3.820 839 HH12 ARG 108 1HH1 ARG 108 -2.545 -16.153 5.358 840 HH21 ARG 108 2HH2 ARG 108 -3.393 -19.343 4.205 841 HH22 ARG 108 1HH2 ARG 108 -3.347 -18.287 5.576 842 H ILE 109 H ILE 109 -4.983 -17.597 -1.088 843 HA ILE 109 HA ILE 109 -6.177 -17.798 1.569 844 HB ILE 109 HB ILE 109 -7.067 -16.173 -0.817 845 HG12 ILE 109 1HG1 ILE 109 -4.899 -15.426 0.028 846 HG13 ILE 109 2HG1 ILE 109 -6.148 -14.253 0.429 847 HG21 ILE 109 1HG2 ILE 109 -8.932 -15.743 0.303 848 HG22 ILE 109 2HG2 ILE 109 -8.428 -16.875 1.557 849 HG23 ILE 109 3HG2 ILE 109 -7.995 -15.170 1.682 850 HD11 ILE 109 1HD1 ILE 109 -6.263 -15.342 2.699 851 HD12 ILE 109 2HD1 ILE 109 -4.797 -16.215 2.251 852 HD13 ILE 109 3HD1 ILE 109 -4.784 -14.453 2.332 853 H LYS 110 H LYS 110 -6.999 -18.451 -1.823 854 HA LYS 110 HA LYS 110 -9.263 -20.087 -0.899 855 HB2 LYS 110 1HB LYS 110 -8.766 -18.464 -3.341 856 HB3 LYS 110 2HB LYS 110 -9.715 -19.932 -3.529 857 HG2 LYS 110 1HG LYS 110 -11.341 -18.353 -3.150 858 HG3 LYS 110 2HG LYS 110 -11.080 -19.000 -1.529 859 HD2 LYS 110 1HD LYS 110 -9.638 -17.127 -0.984 860 HD3 LYS 110 2HD LYS 110 -9.792 -16.501 -2.628 861 HE2 LYS 110 1HE LYS 110 -12.124 -16.895 -0.761 862 HE3 LYS 110 2HE LYS 110 -11.240 -15.377 -0.910 863 HZ1 LYS 110 1HZ LYS 110 -12.826 -16.755 -3.002 864 HZ2 LYS 110 2HZ LYS 110 -11.788 -15.461 -3.333 865 HZ3 LYS 110 3HZ LYS 110 -13.120 -15.237 -2.314 866 HA PRO 111 HA PRO 111 -7.133 -23.751 -2.092 867 HB2 PRO 111 1HB PRO 111 -9.268 -25.386 -2.465 868 HB3 PRO 111 2HB PRO 111 -8.709 -24.886 -0.865 869 HG2 PRO 111 1HG PRO 111 -10.963 -23.800 -2.508 870 HG3 PRO 111 2HG PRO 111 -10.913 -24.153 -0.771 871 HD2 PRO 111 1HD PRO 111 -10.634 -21.646 -1.756 872 HD3 PRO 111 2HD PRO 111 -9.819 -22.186 -0.274 873 H LEU 112 H LEU 112 -6.608 -24.973 -3.905 874 HA LEU 112 HA LEU 112 -8.040 -24.322 -6.391 875 HB2 LEU 112 1HB LEU 112 -5.092 -24.262 -5.848 876 HB3 LEU 112 2HB LEU 112 -5.718 -24.498 -7.479 877 HG LEU 112 HG LEU 112 -6.241 -22.089 -5.738 878 HD11 LEU 112 1HD1 LEU 112 -4.056 -21.769 -6.333 879 HD12 LEU 112 2HD1 LEU 112 -4.869 -21.070 -7.733 880 HD13 LEU 112 3HD1 LEU 112 -4.206 -22.702 -7.822 881 HD21 LEU 112 1HD2 LEU 112 -6.986 -21.192 -8.035 882 HD22 LEU 112 2HD2 LEU 112 -8.085 -22.248 -7.147 883 HD23 LEU 112 3HD2 LEU 112 -7.131 -22.891 -8.485 884 HA PRO 113 HA PRO 113 -8.101 -28.633 -7.214 885 HB2 PRO 113 1HB PRO 113 -7.944 -28.660 -9.924 886 HB3 PRO 113 2HB PRO 113 -9.392 -28.146 -9.050 887 HG2 PRO 113 1HG PRO 113 -7.235 -26.480 -10.288 888 HG3 PRO 113 2HG PRO 113 -8.992 -26.244 -10.327 889 HD2 PRO 113 1HD PRO 113 -7.374 -24.865 -8.651 890 HD3 PRO 113 2HD PRO 113 -9.040 -25.306 -8.223 891 H THR 114 H THR 114 -6.847 -30.425 -7.940 892 HA THR 114 HA THR 114 -4.057 -30.098 -7.625 893 HB THR 114 HB THR 114 -5.229 -32.183 -7.022 894 HG1 THR 114 1HG THR 114 -3.647 -33.583 -8.275 895 HG21 THR 114 1HG2 THR 114 -5.845 -32.161 -9.919 896 HG22 THR 114 2HG2 THR 114 -6.794 -32.770 -8.563 897 HG23 THR 114 3HG2 THR 114 -5.457 -33.725 -9.204 898 H LYS 115 H LYS 115 -2.381 -30.649 -9.152 899 HA LYS 115 HA LYS 115 -3.132 -30.029 -11.935 900 HB2 LYS 115 1HB LYS 115 -0.709 -29.229 -10.333 901 HB3 LYS 115 2HB LYS 115 -0.720 -29.175 -12.091 902 HG2 LYS 115 1HG LYS 115 -2.211 -27.431 -12.167 903 HG3 LYS 115 2HG LYS 115 -2.893 -27.804 -10.582 904 HD2 LYS 115 1HD LYS 115 -0.864 -27.006 -9.502 905 HD3 LYS 115 2HD LYS 115 -0.131 -26.689 -11.076 906 HE2 LYS 115 1HE LYS 115 -1.492 -24.869 -11.489 907 HE3 LYS 115 2HE LYS 115 -2.748 -25.427 -10.384 908 HZ1 LYS 115 1HZ LYS 115 -1.580 -23.531 -9.475 909 HZ2 LYS 115 2HZ LYS 115 -0.099 -24.339 -9.597 910 HZ3 LYS 115 3HZ LYS 115 -1.283 -24.900 -8.527 911 H LYS 116 H LYS 116 -2.331 -31.289 -13.553 912 HA LYS 116 HA LYS 116 -1.620 -33.929 -13.030 913 HB2 LYS 116 1HB LYS 116 -1.067 -34.087 -15.410 914 HB3 LYS 116 2HB LYS 116 -2.564 -33.197 -15.167 915 HG2 LYS 116 1HG LYS 116 -1.623 -31.181 -15.779 916 HG3 LYS 116 2HG LYS 116 0.019 -31.722 -15.422 917 HD2 LYS 116 1HD LYS 116 0.044 -31.786 -17.717 918 HD3 LYS 116 2HD LYS 116 -0.470 -33.435 -17.355 919 HE2 LYS 116 1HE LYS 116 -2.674 -33.012 -17.950 920 HE3 LYS 116 2HE LYS 116 -2.498 -31.270 -17.747 921 HZ1 LYS 116 1HZ LYS 116 -1.297 -31.105 -19.747 922 HZ2 LYS 116 2HZ LYS 116 -2.618 -32.099 -20.100 923 HZ3 LYS 116 3HZ LYS 116 -1.086 -32.779 -19.869 924 H THR 117 H THR 117 0.281 -35.028 -12.878 925 HA THR 117 HA THR 117 2.813 -33.899 -13.536 926 HB THR 117 HB THR 117 2.409 -32.644 -11.461 927 HG1 THR 117 1HG THR 117 4.524 -32.939 -11.537 928 HG21 THR 117 1HG2 THR 117 1.114 -34.828 -10.548 929 HG22 THR 117 2HG2 THR 117 1.750 -33.561 -9.498 930 HG23 THR 117 3HG2 THR 117 2.676 -35.040 -9.756 931 H GLY 118 H GLY 118 4.370 -35.454 -13.692 932 HA2 GLY 118 1HA GLY 118 3.493 -38.193 -13.138 933 HA3 GLY 118 2HA GLY 118 4.815 -37.724 -14.196 934 H SER 119 H SER 119 6.243 -36.049 -12.489 935 HA SER 119 HA SER 119 7.894 -37.818 -11.151 936 HB2 SER 119 1HB SER 119 8.805 -35.816 -9.981 937 HB3 SER 119 2HB SER 119 8.635 -35.578 -11.721 938 HG SER 119 HG SER 119 7.817 -33.785 -10.645 939 H GLY 120 H GLY 120 8.380 -37.802 -8.762 940 HA2 GLY 120 1HA GLY 120 5.841 -37.887 -7.251 941 HA3 GLY 120 2HA GLY 120 7.149 -39.037 -7.015 942 HA PRO 121 HA PRO 121 8.894 -36.561 -3.854 943 HB2 PRO 121 1HB PRO 121 11.562 -36.781 -4.306 944 HB3 PRO 121 2HB PRO 121 10.581 -38.112 -3.681 945 HG2 PRO 121 1HG PRO 121 11.517 -37.598 -6.478 946 HG3 PRO 121 2HG PRO 121 11.478 -39.123 -5.573 947 HD2 PRO 121 1HD PRO 121 9.599 -38.472 -7.411 948 HD3 PRO 121 2HD PRO 121 9.233 -39.451 -5.976 949 H SER 122 H SER 122 8.871 -35.531 -6.971 950 HA SER 122 HA SER 122 10.690 -33.569 -7.368 951 HB2 SER 122 1HB SER 122 9.081 -32.423 -8.737 952 HB3 SER 122 2HB SER 122 8.759 -34.151 -8.877 953 HG SER 122 HG SER 122 6.875 -32.792 -8.520 954 H SER 123 H SER 123 10.542 -31.196 -7.105 955 HA SER 123 HA SER 123 9.173 -30.369 -4.645 956 HB2 SER 123 1HB SER 123 12.111 -29.980 -5.250 957 HB3 SER 123 2HB SER 123 11.251 -29.120 -3.973 958 HG SER 123 HG SER 123 11.149 -30.906 -2.812 959 H GLY 124 H GLY 124 8.465 -28.270 -4.618 960 HA2 GLY 124 1HA GLY 124 9.351 -26.381 -6.627 961 HA3 GLY 124 2HA GLY 124 7.705 -26.958 -6.846 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.892 17.265 -6.651 2 HA2 GLY 1 1HA GLY 1 -11.233 17.270 -8.923 3 HA3 GLY 1 2HA GLY 1 -11.115 16.146 -7.577 4 H SER 2 H SER 2 -13.351 16.756 -10.291 5 HA SER 2 HA SER 2 -13.582 13.853 -10.649 6 HB2 SER 2 1HB SER 2 -15.319 16.169 -11.487 7 HB3 SER 2 2HB SER 2 -15.519 14.563 -12.188 8 HG SER 2 HG SER 2 -16.851 15.022 -10.307 9 H SER 3 H SER 3 -12.231 13.009 -12.081 10 HA SER 3 HA SER 3 -12.016 14.197 -14.723 11 HB2 SER 3 1HB SER 3 -9.678 13.894 -12.849 12 HB3 SER 3 2HB SER 3 -9.458 13.886 -14.599 13 HG SER 3 HG SER 3 -10.326 15.949 -14.688 14 H GLY 4 H GLY 4 -12.228 12.627 -16.171 15 HA2 GLY 4 1HA GLY 4 -10.796 10.324 -16.439 16 HA3 GLY 4 2HA GLY 4 -12.110 9.867 -15.365 17 H SER 5 H SER 5 -11.532 11.495 -18.476 18 HA SER 5 HA SER 5 -14.075 10.359 -19.434 19 HB2 SER 5 1HB SER 5 -12.561 12.765 -20.478 20 HB3 SER 5 2HB SER 5 -14.095 12.163 -21.105 21 HG SER 5 HG SER 5 -13.570 13.286 -18.558 22 H SER 6 H SER 6 -13.088 8.346 -19.945 23 HA SER 6 HA SER 6 -11.285 8.447 -22.274 24 HB2 SER 6 1HB SER 6 -10.534 7.338 -20.032 25 HB3 SER 6 2HB SER 6 -11.579 6.011 -20.541 26 HG SER 6 HG SER 6 -9.250 5.999 -21.200 27 H GLY 7 H GLY 7 -12.161 7.853 -24.137 28 HA2 GLY 7 1HA GLY 7 -14.685 6.366 -24.108 29 HA3 GLY 7 2HA GLY 7 -14.025 7.258 -25.471 30 H GLU 8 H GLU 8 -13.733 5.858 -27.077 31 HA GLU 8 HA GLU 8 -13.352 3.109 -26.823 32 HB2 GLU 8 1HB GLU 8 -12.682 5.008 -29.068 33 HB3 GLU 8 2HB GLU 8 -12.487 3.266 -29.207 34 HG2 GLU 8 1HG GLU 8 -15.119 4.318 -28.323 35 HG3 GLU 8 2HG GLU 8 -14.672 4.489 -30.019 36 H GLU 9 H GLU 9 -11.561 1.778 -26.889 37 HA GLU 9 HA GLU 9 -9.424 1.109 -26.484 38 HB2 GLU 9 1HB GLU 9 -9.068 3.605 -28.060 39 HB3 GLU 9 2HB GLU 9 -7.656 2.973 -27.226 40 HG2 GLU 9 1HG GLU 9 -7.984 0.813 -28.358 41 HG3 GLU 9 2HG GLU 9 -9.348 1.504 -29.235 42 HA PRO 10 HA PRO 10 -9.416 4.125 -22.806 43 HB2 PRO 10 1HB PRO 10 -10.712 2.539 -21.024 44 HB3 PRO 10 2HB PRO 10 -11.550 3.689 -22.073 45 HG2 PRO 10 1HG PRO 10 -11.198 0.734 -22.400 46 HG3 PRO 10 2HG PRO 10 -12.644 1.725 -22.668 47 HD2 PRO 10 1HD PRO 10 -11.060 0.881 -24.696 48 HD3 PRO 10 2HD PRO 10 -11.931 2.427 -24.745 49 H SER 11 H SER 11 -7.425 4.020 -21.990 50 HA SER 11 HA SER 11 -6.583 1.891 -20.318 51 HB2 SER 11 1HB SER 11 -6.168 0.712 -22.395 52 HB3 SER 11 2HB SER 11 -5.271 2.087 -23.039 53 HG SER 11 HG SER 11 -4.548 0.374 -20.903 54 H GLY 12 H GLY 12 -5.136 2.651 -18.893 55 HA2 GLY 12 1HA GLY 12 -2.953 4.253 -19.302 56 HA3 GLY 12 2HA GLY 12 -4.284 5.383 -19.099 57 H VAL 13 H VAL 13 -1.931 4.946 -17.409 58 HA VAL 13 HA VAL 13 -2.164 3.520 -15.142 59 HB VAL 13 HB VAL 13 -1.457 6.457 -15.221 60 HG11 VAL 13 1HG1 VAL 13 -1.787 5.898 -12.957 61 HG12 VAL 13 2HG1 VAL 13 -1.013 4.323 -13.150 62 HG13 VAL 13 3HG1 VAL 13 -0.046 5.797 -13.217 63 HG21 VAL 13 1HG2 VAL 13 0.613 4.345 -15.118 64 HG22 VAL 13 2HG2 VAL 13 -0.234 4.556 -16.650 65 HG23 VAL 13 3HG2 VAL 13 0.631 5.912 -15.926 66 H GLU 14 H GLU 14 -3.621 6.766 -15.461 67 HA GLU 14 HA GLU 14 -5.052 6.725 -13.073 68 HB2 GLU 14 1HB GLU 14 -5.749 8.131 -15.657 69 HB3 GLU 14 2HB GLU 14 -6.455 8.490 -14.088 70 HG2 GLU 14 1HG GLU 14 -4.380 9.282 -13.243 71 HG3 GLU 14 2HG GLU 14 -3.512 8.696 -14.661 72 H GLY 15 H GLY 15 -6.116 5.815 -16.346 73 HA2 GLY 15 1HA GLY 15 -8.738 5.248 -16.010 74 HA3 GLY 15 2HA GLY 15 -7.679 4.229 -16.973 75 H ALA 16 H ALA 16 -6.109 3.011 -15.134 76 HA ALA 16 HA ALA 16 -7.495 0.834 -14.291 77 HB1 ALA 16 1HB ALA 16 -4.911 1.607 -14.104 78 HB2 ALA 16 2HB ALA 16 -5.389 1.647 -12.406 79 HB3 ALA 16 3HB ALA 16 -5.571 0.161 -13.338 80 H ALA 17 H ALA 17 -6.690 3.609 -12.196 81 HA ALA 17 HA ALA 17 -7.787 2.988 -9.842 82 HB1 ALA 17 1HB ALA 17 -6.853 5.160 -10.188 83 HB2 ALA 17 2HB ALA 17 -8.137 5.590 -11.320 84 HB3 ALA 17 3HB ALA 17 -8.507 5.367 -9.610 85 H PHE 18 H PHE 18 -9.592 3.603 -12.778 86 HA PHE 18 HA PHE 18 -12.136 4.038 -11.918 87 HB2 PHE 18 1HB PHE 18 -11.781 3.977 -14.252 88 HB3 PHE 18 2HB PHE 18 -11.118 2.347 -14.192 89 HD1 PHE 18 1HD PHE 18 -12.666 0.433 -13.664 90 HD2 PHE 18 2HD PHE 18 -14.066 4.343 -14.595 91 HE1 PHE 18 1HE PHE 18 -14.886 -0.490 -14.186 92 HE2 PHE 18 2HE PHE 18 -16.289 3.426 -15.118 93 HZ PHE 18 HZ PHE 18 -16.701 1.007 -14.913 94 H GLN 19 H GLN 19 -10.659 0.822 -12.336 95 HA GLN 19 HA GLN 19 -12.675 -0.825 -11.589 96 HB2 GLN 19 1HB GLN 19 -11.033 -2.412 -10.841 97 HB3 GLN 19 2HB GLN 19 -10.364 -1.532 -12.209 98 HG2 GLN 19 1HG GLN 19 -8.789 -0.482 -10.948 99 HG3 GLN 19 2HG GLN 19 -9.776 -0.513 -9.488 100 HE21 GLN 19 1HE2 GLN 19 -9.086 -1.823 -7.969 101 HE22 GLN 19 2HE2 GLN 19 -8.151 -3.256 -8.201 102 H SER 20 H SER 20 -10.883 1.335 -9.519 103 HA SER 20 HA SER 20 -12.454 0.391 -7.212 104 HB2 SER 20 1HB SER 20 -9.760 1.767 -7.294 105 HB3 SER 20 2HB SER 20 -10.664 1.453 -5.813 106 HG SER 20 HG SER 20 -9.523 -0.338 -5.914 107 H ARG 21 H ARG 21 -13.593 1.850 -5.991 108 HA ARG 21 HA ARG 21 -14.233 4.352 -7.286 109 HB2 ARG 21 1HB ARG 21 -15.332 2.844 -4.935 110 HB3 ARG 21 2HB ARG 21 -15.782 4.523 -5.200 111 HG2 ARG 21 1HG ARG 21 -16.481 3.825 -7.531 112 HG3 ARG 21 2HG ARG 21 -16.306 2.160 -6.974 113 HD2 ARG 21 1HD ARG 21 -18.037 4.210 -5.605 114 HD3 ARG 21 2HD ARG 21 -18.631 3.096 -6.836 115 HE ARG 21 HE ARG 21 -17.530 1.412 -5.080 116 HH11 ARG 21 2HH1 ARG 21 -19.674 4.118 -4.632 117 HH12 ARG 21 1HH1 ARG 21 -20.429 3.453 -3.221 118 HH21 ARG 21 2HH2 ARG 21 -18.516 0.526 -3.224 119 HH22 ARG 21 1HH2 ARG 21 -19.769 1.411 -2.421 120 H LEU 22 H LEU 22 -12.093 5.303 -6.990 121 HA LEU 22 HA LEU 22 -12.030 7.003 -4.691 122 HB2 LEU 22 1HB LEU 22 -10.009 6.300 -3.699 123 HB3 LEU 22 2HB LEU 22 -11.009 4.859 -3.871 124 HG LEU 22 HG LEU 22 -9.592 4.626 -6.114 125 HD11 LEU 22 1HD1 LEU 22 -7.234 5.356 -4.715 126 HD12 LEU 22 2HD1 LEU 22 -8.301 6.758 -4.763 127 HD13 LEU 22 3HD1 LEU 22 -7.829 5.958 -6.262 128 HD21 LEU 22 1HD2 LEU 22 -9.437 2.775 -4.829 129 HD22 LEU 22 2HD2 LEU 22 -9.208 3.693 -3.340 130 HD23 LEU 22 3HD2 LEU 22 -7.852 3.447 -4.442 131 HA PRO 23 HA PRO 23 -10.025 9.605 -7.612 132 HB2 PRO 23 1HB PRO 23 -8.809 11.352 -5.928 133 HB3 PRO 23 2HB PRO 23 -10.553 11.348 -6.213 134 HG2 PRO 23 1HG PRO 23 -9.003 10.167 -3.941 135 HG3 PRO 23 2HG PRO 23 -10.520 11.085 -3.903 136 HD2 PRO 23 1HD PRO 23 -10.447 8.384 -3.723 137 HD3 PRO 23 2HD PRO 23 -11.790 9.254 -4.493 138 H HIS 24 H HIS 24 -8.060 9.909 -8.610 139 HA HIS 24 HA HIS 24 -5.847 8.309 -7.559 140 HB2 HIS 24 1HB HIS 24 -5.124 8.022 -9.727 141 HB3 HIS 24 2HB HIS 24 -6.853 8.220 -9.999 142 HD1 HIS 24 1HD HIS 24 -3.575 9.765 -10.711 143 HD2 HIS 24 2HD HIS 24 -7.592 10.753 -11.095 144 HE1 HIS 24 1HE HIS 24 -3.635 11.749 -12.255 145 HE2 HIS 24 2HE HIS 24 -6.068 12.381 -12.404 146 H ASP 25 H ASP 25 -6.766 11.582 -8.228 147 HA ASP 25 HA ASP 25 -4.106 12.659 -8.158 148 HB2 ASP 25 1HB ASP 25 -5.941 13.784 -9.370 149 HB3 ASP 25 2HB ASP 25 -6.768 14.063 -7.840 150 H ARG 26 H ARG 26 -6.596 11.957 -5.833 151 HA ARG 26 HA ARG 26 -4.830 12.969 -3.707 152 HB2 ARG 26 1HB ARG 26 -6.848 13.574 -2.406 153 HB3 ARG 26 2HB ARG 26 -6.692 14.505 -3.889 154 HG2 ARG 26 1HG ARG 26 -8.337 13.045 -4.969 155 HG3 ARG 26 2HG ARG 26 -8.506 12.140 -3.463 156 HD2 ARG 26 1HD ARG 26 -9.077 15.083 -3.800 157 HD3 ARG 26 2HD ARG 26 -10.296 13.809 -3.786 158 HE ARG 26 HE ARG 26 -8.634 13.802 -1.451 159 HH11 ARG 26 2HH1 ARG 26 -11.446 15.219 -2.936 160 HH12 ARG 26 1HH1 ARG 26 -12.187 15.646 -1.430 161 HH21 ARG 26 2HH2 ARG 26 -9.600 14.360 0.539 162 HH22 ARG 26 1HH2 ARG 26 -11.136 15.158 0.546 163 H MET 27 H MET 27 -5.391 11.971 -1.541 164 HA MET 27 HA MET 27 -5.778 9.096 -1.941 165 HB2 MET 27 1HB MET 27 -4.724 10.522 0.504 166 HB3 MET 27 2HB MET 27 -4.666 8.794 0.182 167 HG2 MET 27 1HG MET 27 -3.033 9.040 -1.473 168 HG3 MET 27 2HG MET 27 -3.319 10.773 -1.618 169 HE1 MET 27 1HE MET 27 -2.869 8.279 1.217 170 HE2 MET 27 2HE MET 27 -1.274 7.992 0.523 171 HE3 MET 27 3HE MET 27 -1.424 8.812 2.077 172 H THR 28 H THR 28 -7.057 7.876 -0.421 173 HA THR 28 HA THR 28 -9.383 9.407 0.507 174 HB THR 28 HB THR 28 -10.470 7.113 0.653 175 HG1 THR 28 1HG THR 28 -8.051 6.275 0.254 176 HG21 THR 28 1HG2 THR 28 -11.137 8.440 -1.161 177 HG22 THR 28 2HG2 THR 28 -10.619 6.928 -1.907 178 HG23 THR 28 3HG2 THR 28 -9.556 8.335 -1.935 179 H SER 29 H SER 29 -10.503 8.384 2.466 180 HA SER 29 HA SER 29 -9.212 8.814 4.764 181 HB2 SER 29 1HB SER 29 -11.129 6.503 4.370 182 HB3 SER 29 2HB SER 29 -10.764 7.301 5.900 183 HG SER 29 HG SER 29 -11.561 9.013 3.907 184 H GLN 30 H GLN 30 -9.351 5.579 3.269 185 HA GLN 30 HA GLN 30 -7.632 4.312 5.075 186 HB2 GLN 30 1HB GLN 30 -9.153 3.398 3.108 187 HB3 GLN 30 2HB GLN 30 -7.642 3.473 2.212 188 HG2 GLN 30 1HG GLN 30 -8.279 1.276 3.367 189 HG3 GLN 30 2HG GLN 30 -6.627 1.868 3.534 190 HE21 GLN 30 1HE2 GLN 30 -5.982 2.791 5.512 191 HE22 GLN 30 2HE2 GLN 30 -6.830 2.451 6.978 192 H GLU 31 H GLU 31 -6.771 5.081 1.704 193 HA GLU 31 HA GLU 31 -4.109 4.753 1.740 194 HB2 GLU 31 1HB GLU 31 -5.608 7.052 0.479 195 HB3 GLU 31 2HB GLU 31 -3.930 6.668 0.125 196 HG2 GLU 31 1HG GLU 31 -6.161 4.695 -0.251 197 HG3 GLU 31 2HG GLU 31 -5.651 5.819 -1.510 198 H ALA 32 H ALA 32 -5.821 7.501 3.132 199 HA ALA 32 HA ALA 32 -3.523 9.026 3.779 200 HB1 ALA 32 1HB ALA 32 -5.041 10.271 5.278 201 HB2 ALA 32 2HB ALA 32 -5.693 10.072 3.651 202 HB3 ALA 32 3HB ALA 32 -6.292 9.067 4.969 203 H ALA 33 H ALA 33 -5.439 6.659 5.585 204 HA ALA 33 HA ALA 33 -3.991 6.958 8.020 205 HB1 ALA 33 1HB ALA 33 -5.117 4.795 8.626 206 HB2 ALA 33 2HB ALA 33 -6.202 6.103 8.152 207 HB3 ALA 33 3HB ALA 33 -5.838 4.804 7.016 208 H CYS 34 H CYS 34 -3.819 4.672 5.318 209 HA CYS 34 HA CYS 34 -1.840 3.002 6.449 210 HB2 CYS 34 1HB CYS 34 -2.992 3.417 3.737 211 HB3 CYS 34 2HB CYS 34 -1.441 2.592 3.835 212 HG CYS 34 HG CYS 34 -2.313 0.301 4.659 213 H PHE 35 H PHE 35 -1.680 5.880 4.420 214 HA PHE 35 HA PHE 35 1.226 5.957 4.896 215 HB2 PHE 35 1HB PHE 35 -0.179 6.950 2.409 216 HB3 PHE 35 2HB PHE 35 1.557 6.938 2.701 217 HD1 PHE 35 2HD PHE 35 -1.376 4.674 2.405 218 HD2 PHE 35 1HD PHE 35 2.837 5.134 2.017 219 HE1 PHE 35 2HE PHE 35 -1.228 2.434 1.399 220 HE2 PHE 35 1HE PHE 35 2.992 2.895 1.009 221 HZ PHE 35 HZ PHE 35 0.958 1.541 0.700 222 HA PRO 36 HA PRO 36 -0.548 9.744 6.762 223 HB2 PRO 36 1HB PRO 36 1.332 9.908 8.714 224 HB3 PRO 36 2HB PRO 36 -0.107 8.891 8.849 225 HG2 PRO 36 1HG PRO 36 2.686 8.127 8.092 226 HG3 PRO 36 2HG PRO 36 1.550 7.291 9.166 227 HD2 PRO 36 1HD PRO 36 1.973 6.516 6.607 228 HD3 PRO 36 2HD PRO 36 0.402 6.332 7.413 229 H ASP 37 H ASP 37 2.895 9.013 6.231 230 HA ASP 37 HA ASP 37 3.818 11.652 6.135 231 HB2 ASP 37 1HB ASP 37 4.972 9.379 4.519 232 HB3 ASP 37 2HB ASP 37 5.816 10.782 5.171 233 H ILE 38 H ILE 38 2.487 9.571 3.618 234 HA ILE 38 HA ILE 38 3.041 11.275 1.434 235 HB ILE 38 HB ILE 38 0.833 9.234 1.720 236 HG12 ILE 38 1HG1 ILE 38 3.078 8.285 2.052 237 HG13 ILE 38 2HG1 ILE 38 2.362 7.721 0.547 238 HG21 ILE 38 1HG2 ILE 38 0.838 11.094 -0.153 239 HG22 ILE 38 2HG2 ILE 38 2.005 10.004 -0.900 240 HG23 ILE 38 3HG2 ILE 38 0.384 9.428 -0.511 241 HD11 ILE 38 1HD1 ILE 38 3.873 10.092 0.048 242 HD12 ILE 38 2HD1 ILE 38 4.863 8.925 0.927 243 HD13 ILE 38 3HD1 ILE 38 4.098 8.465 -0.594 244 H ILE 39 H ILE 39 0.013 10.749 3.246 245 HA ILE 39 HA ILE 39 -1.482 12.737 1.961 246 HB ILE 39 HB ILE 39 -2.487 10.991 3.378 247 HG12 ILE 39 1HG1 ILE 39 -4.094 12.516 4.604 248 HG13 ILE 39 2HG1 ILE 39 -3.069 13.862 4.118 249 HG21 ILE 39 1HG2 ILE 39 -1.297 12.578 5.648 250 HG22 ILE 39 2HG2 ILE 39 -2.481 11.285 5.832 251 HG23 ILE 39 3HG2 ILE 39 -0.882 10.930 5.178 252 HD11 ILE 39 1HD1 ILE 39 -4.683 12.036 2.370 253 HD12 ILE 39 2HD1 ILE 39 -4.836 13.781 2.572 254 HD13 ILE 39 3HD1 ILE 39 -3.435 13.110 1.739 255 H SER 40 H SER 40 0.706 12.889 4.706 256 HA SER 40 HA SER 40 0.109 15.722 5.103 257 HB2 SER 40 1HB SER 40 0.468 13.916 6.980 258 HB3 SER 40 2HB SER 40 2.177 14.238 6.686 259 HG SER 40 HG SER 40 1.673 16.485 7.050 260 H GLY 41 H GLY 41 1.363 14.974 2.659 261 HA2 GLY 41 1HA GLY 41 3.964 16.328 3.014 262 HA3 GLY 41 2HA GLY 41 3.784 14.953 1.934 263 HA PRO 42 HA PRO 42 3.134 18.976 -0.388 264 HB2 PRO 42 1HB PRO 42 5.117 18.584 -2.200 265 HB3 PRO 42 2HB PRO 42 5.379 19.388 -0.648 266 HG2 PRO 42 1HG PRO 42 5.942 16.554 -1.432 267 HG3 PRO 42 2HG PRO 42 6.940 17.672 -0.484 268 HD2 PRO 42 1HD PRO 42 5.424 15.744 0.662 269 HD3 PRO 42 2HD PRO 42 5.740 17.303 1.449 270 H GLN 43 H GLN 43 1.950 19.115 -2.246 271 HA GLN 43 HA GLN 43 0.414 17.166 -3.224 272 HB2 GLN 43 1HB GLN 43 0.148 19.423 -4.006 273 HB3 GLN 43 2HB GLN 43 1.707 19.380 -4.818 274 HG2 GLN 43 1HG GLN 43 -0.243 19.176 -6.336 275 HG3 GLN 43 2HG GLN 43 0.903 17.841 -6.447 276 HE21 GLN 43 1HE2 GLN 43 -2.291 18.809 -5.590 277 HE22 GLN 43 2HE2 GLN 43 -2.926 17.228 -5.303 278 H GLN 44 H GLN 44 3.698 17.831 -4.387 279 HA GLN 44 HA GLN 44 3.824 15.976 -6.444 280 HB2 GLN 44 1HB GLN 44 5.571 17.635 -6.054 281 HB3 GLN 44 2HB GLN 44 6.020 16.837 -4.553 282 HG2 GLN 44 1HG GLN 44 7.596 16.268 -6.270 283 HG3 GLN 44 2HG GLN 44 6.661 14.838 -5.833 284 HE21 GLN 44 1HE2 GLN 44 6.550 13.660 -7.618 285 HE22 GLN 44 2HE2 GLN 44 6.029 14.224 -9.165 286 H THR 45 H THR 45 4.919 15.514 -3.080 287 HA THR 45 HA THR 45 5.648 12.872 -3.193 288 HB THR 45 HB THR 45 4.256 14.283 -0.909 289 HG1 THR 45 1HG THR 45 6.958 13.989 -1.710 290 HG21 THR 45 1HG2 THR 45 4.797 11.548 -1.183 291 HG22 THR 45 2HG2 THR 45 4.382 12.412 0.298 292 HG23 THR 45 3HG2 THR 45 6.073 12.180 -0.144 293 H GLN 46 H GLN 46 2.403 14.126 -2.422 294 HA GLN 46 HA GLN 46 1.080 11.739 -2.036 295 HB2 GLN 46 1HB GLN 46 0.069 14.281 -3.319 296 HB3 GLN 46 2HB GLN 46 -0.968 12.952 -2.818 297 HG2 GLN 46 1HG GLN 46 -0.200 13.244 -0.506 298 HG3 GLN 46 2HG GLN 46 0.794 14.604 -1.023 299 HE21 GLN 46 1HE2 GLN 46 -1.116 14.866 0.942 300 HE22 GLN 46 2HE2 GLN 46 -2.399 15.868 0.363 301 H LYS 47 H LYS 47 1.548 13.477 -5.103 302 HA LYS 47 HA LYS 47 0.189 11.671 -6.751 303 HB2 LYS 47 1HB LYS 47 2.516 13.496 -7.371 304 HB3 LYS 47 2HB LYS 47 1.580 12.642 -8.590 305 HG2 LYS 47 1HG LYS 47 -0.454 13.828 -7.557 306 HG3 LYS 47 2HG LYS 47 0.738 14.892 -6.806 307 HD2 LYS 47 1HD LYS 47 0.620 14.343 -9.767 308 HD3 LYS 47 2HD LYS 47 -0.192 15.706 -8.993 309 HE2 LYS 47 1HE LYS 47 1.986 16.474 -8.130 310 HE3 LYS 47 2HE LYS 47 2.772 15.141 -8.975 311 HZ1 LYS 47 1HZ LYS 47 1.135 17.190 -10.356 312 HZ2 LYS 47 2HZ LYS 47 2.169 16.049 -11.056 313 HZ3 LYS 47 3HZ LYS 47 2.809 17.329 -10.154 314 H VAL 48 H VAL 48 3.645 11.852 -5.930 315 HA VAL 48 HA VAL 48 4.664 9.831 -7.464 316 HB VAL 48 HB VAL 48 5.376 10.424 -4.588 317 HG11 VAL 48 1HG1 VAL 48 6.362 8.442 -6.458 318 HG12 VAL 48 2HG1 VAL 48 7.640 9.531 -5.914 319 HG13 VAL 48 3HG1 VAL 48 6.687 8.628 -4.735 320 HG21 VAL 48 1HG2 VAL 48 5.548 12.108 -6.725 321 HG22 VAL 48 2HG2 VAL 48 6.576 12.184 -5.294 322 HG23 VAL 48 3HG2 VAL 48 7.138 11.344 -6.740 323 H PHE 49 H PHE 49 3.013 9.508 -4.342 324 HA PHE 49 HA PHE 49 3.276 6.651 -4.296 325 HB2 PHE 49 1HB PHE 49 3.095 7.418 -2.141 326 HB3 PHE 49 2HB PHE 49 1.990 8.716 -2.583 327 HD1 PHE 49 1HD PHE 49 -0.407 8.257 -2.876 328 HD2 PHE 49 2HD PHE 49 2.295 5.275 -1.490 329 HE1 PHE 49 1HE PHE 49 -2.305 6.919 -2.064 330 HE2 PHE 49 2HE PHE 49 0.401 3.932 -0.677 331 HZ PHE 49 HZ PHE 49 -1.903 4.753 -0.964 332 H LEU 50 H LEU 50 0.631 8.927 -4.943 333 HA LEU 50 HA LEU 50 -1.389 7.035 -5.369 334 HB2 LEU 50 1HB LEU 50 -0.950 9.861 -6.213 335 HB3 LEU 50 2HB LEU 50 -2.283 8.952 -6.922 336 HG LEU 50 HG LEU 50 -1.941 9.275 -3.949 337 HD11 LEU 50 1HD1 LEU 50 -3.878 10.911 -5.512 338 HD12 LEU 50 2HD1 LEU 50 -2.200 11.441 -5.401 339 HD13 LEU 50 3HD1 LEU 50 -3.154 11.220 -3.934 340 HD21 LEU 50 1HD2 LEU 50 -3.973 8.127 -5.775 341 HD22 LEU 50 2HD2 LEU 50 -4.558 8.994 -4.355 342 HD23 LEU 50 3HD2 LEU 50 -3.475 7.615 -4.162 343 H PHE 51 H PHE 51 1.388 7.630 -7.165 344 HA PHE 51 HA PHE 51 0.220 6.715 -9.683 345 HB2 PHE 51 1HB PHE 51 1.728 8.599 -9.867 346 HB3 PHE 51 2HB PHE 51 2.989 7.723 -9.004 347 HD1 PHE 51 1HD PHE 51 3.675 5.429 -10.114 348 HD2 PHE 51 2HD PHE 51 1.818 8.668 -12.157 349 HE1 PHE 51 1HE PHE 51 4.546 4.575 -12.251 350 HE2 PHE 51 2HE PHE 51 2.685 7.819 -14.298 351 HZ PHE 51 HZ PHE 51 4.050 5.770 -14.347 352 H ILE 52 H ILE 52 2.593 5.761 -7.251 353 HA ILE 52 HA ILE 52 3.618 3.489 -8.502 354 HB ILE 52 HB ILE 52 3.198 3.980 -5.552 355 HG12 ILE 52 1HG1 ILE 52 5.834 4.166 -6.949 356 HG13 ILE 52 2HG1 ILE 52 4.700 5.503 -7.107 357 HG21 ILE 52 1HG2 ILE 52 5.172 2.069 -6.761 358 HG22 ILE 52 2HG2 ILE 52 4.641 2.193 -5.084 359 HG23 ILE 52 3HG2 ILE 52 3.541 1.568 -6.313 360 HD11 ILE 52 1HD1 ILE 52 6.535 5.201 -5.114 361 HD12 ILE 52 2HD1 ILE 52 5.101 6.225 -5.039 362 HD13 ILE 52 3HD1 ILE 52 5.060 4.598 -4.360 363 H ARG 53 H ARG 53 0.725 3.904 -6.520 364 HA ARG 53 HA ARG 53 0.051 1.179 -6.290 365 HB2 ARG 53 1HB ARG 53 -0.953 2.875 -4.858 366 HB3 ARG 53 2HB ARG 53 -1.720 3.628 -6.249 367 HG2 ARG 53 1HG ARG 53 -2.889 1.377 -6.588 368 HG3 ARG 53 2HG ARG 53 -2.363 1.011 -4.944 369 HD2 ARG 53 1HD ARG 53 -4.498 1.896 -4.653 370 HD3 ARG 53 2HD ARG 53 -3.434 3.262 -4.322 371 HE ARG 53 HE ARG 53 -5.171 2.919 -6.637 372 HH11 ARG 53 2HH1 ARG 53 -2.719 4.777 -5.007 373 HH12 ARG 53 1HH1 ARG 53 -2.995 6.207 -5.945 374 HH21 ARG 53 2HH2 ARG 53 -5.543 4.796 -7.878 375 HH22 ARG 53 1HH2 ARG 53 -4.602 6.217 -7.577 376 H ASN 54 H ASN 54 -1.610 3.606 -8.312 377 HA ASN 54 HA ASN 54 -3.136 1.992 -9.861 378 HB2 ASN 54 1HB ASN 54 -1.688 4.541 -10.488 379 HB3 ASN 54 2HB ASN 54 -2.593 3.718 -11.755 380 HD21 ASN 54 1HD2 ASN 54 -2.897 6.262 -10.050 381 HD22 ASN 54 2HD2 ASN 54 -4.557 6.218 -9.574 382 H ARG 55 H ARG 55 0.206 2.935 -10.675 383 HA ARG 55 HA ARG 55 0.528 1.481 -12.989 384 HB2 ARG 55 1HB ARG 55 2.159 3.092 -11.810 385 HB3 ARG 55 2HB ARG 55 2.719 1.672 -10.936 386 HG2 ARG 55 1HG ARG 55 4.188 1.969 -12.757 387 HG3 ARG 55 2HG ARG 55 3.151 0.602 -13.171 388 HD2 ARG 55 1HD ARG 55 1.806 1.988 -14.601 389 HD3 ARG 55 2HD ARG 55 2.670 3.434 -14.082 390 HE ARG 55 HE ARG 55 4.611 1.831 -15.121 391 HH11 ARG 55 2HH1 ARG 55 1.591 3.099 -16.299 392 HH12 ARG 55 1HH1 ARG 55 2.109 3.154 -17.952 393 HH21 ARG 55 2HH2 ARG 55 5.305 1.898 -17.293 394 HH22 ARG 55 1HH2 ARG 55 4.221 2.470 -18.516 395 H THR 56 H THR 56 1.057 0.386 -9.652 396 HA THR 56 HA THR 56 2.002 -2.170 -10.178 397 HB THR 56 HB THR 56 0.257 -1.257 -7.882 398 HG1 THR 56 1HG THR 56 2.060 -0.282 -7.364 399 HG21 THR 56 1HG2 THR 56 2.027 -3.698 -8.041 400 HG22 THR 56 2HG2 THR 56 0.271 -3.728 -8.204 401 HG23 THR 56 3HG2 THR 56 1.008 -3.210 -6.688 402 H LEU 57 H LEU 57 -1.304 -0.960 -10.107 403 HA LEU 57 HA LEU 57 -2.513 -3.544 -10.352 404 HB2 LEU 57 1HB LEU 57 -3.477 -0.722 -10.528 405 HB3 LEU 57 2HB LEU 57 -4.515 -2.037 -11.075 406 HG LEU 57 HG LEU 57 -3.353 -1.908 -8.300 407 HD11 LEU 57 1HD1 LEU 57 -4.826 0.063 -8.899 408 HD12 LEU 57 2HD1 LEU 57 -5.334 -0.905 -7.516 409 HD13 LEU 57 3HD1 LEU 57 -6.142 -1.098 -9.072 410 HD21 LEU 57 1HD2 LEU 57 -4.268 -3.914 -8.064 411 HD22 LEU 57 2HD2 LEU 57 -4.757 -3.889 -9.758 412 HD23 LEU 57 3HD2 LEU 57 -5.844 -3.265 -8.517 413 H GLN 58 H GLN 58 -1.855 -0.870 -12.592 414 HA GLN 58 HA GLN 58 -3.046 -1.742 -14.881 415 HB2 GLN 58 1HB GLN 58 -0.491 -0.275 -14.376 416 HB3 GLN 58 2HB GLN 58 -0.881 -0.768 -16.018 417 HG2 GLN 58 1HG GLN 58 -2.959 0.665 -14.459 418 HG3 GLN 58 2HG GLN 58 -1.582 1.585 -15.062 419 HE21 GLN 58 1HE2 GLN 58 -4.639 0.659 -15.749 420 HE22 GLN 58 2HE2 GLN 58 -4.608 0.784 -17.472 421 H LEU 59 H LEU 59 0.229 -2.649 -13.810 422 HA LEU 59 HA LEU 59 0.733 -4.456 -15.906 423 HB2 LEU 59 1HB LEU 59 1.868 -4.631 -13.125 424 HB3 LEU 59 2HB LEU 59 2.591 -5.212 -14.624 425 HG LEU 59 HG LEU 59 2.079 -2.289 -14.234 426 HD11 LEU 59 1HD1 LEU 59 3.630 -2.051 -12.668 427 HD12 LEU 59 2HD1 LEU 59 4.786 -2.996 -13.605 428 HD13 LEU 59 3HD1 LEU 59 3.676 -3.806 -12.500 429 HD21 LEU 59 1HD2 LEU 59 2.763 -3.347 -16.437 430 HD22 LEU 59 2HD2 LEU 59 4.317 -3.687 -15.675 431 HD23 LEU 59 3HD2 LEU 59 3.767 -2.020 -15.853 432 H TRP 60 H TRP 60 -0.667 -4.900 -12.692 433 HA TRP 60 HA TRP 60 -0.810 -7.720 -12.781 434 HB2 TRP 60 1HB TRP 60 -1.093 -6.972 -10.630 435 HB3 TRP 60 2HB TRP 60 -2.038 -5.571 -11.127 436 HD1 TRP 60 HD TRP 60 -4.631 -5.779 -11.038 437 HE1 TRP 60 1HE TRP 60 -6.258 -7.641 -10.324 438 HE3 TRP 60 3HE TRP 60 -1.314 -9.649 -10.648 439 HZ2 TRP 60 2HZ TRP 60 -6.149 -10.387 -9.679 440 HZ3 TRP 60 3HZ TRP 60 -2.156 -11.862 -9.976 441 HH2 TRP 60 HH TRP 60 -4.524 -12.221 -9.502 442 H LEU 61 H LEU 61 -2.857 -5.193 -14.037 443 HA LEU 61 HA LEU 61 -5.120 -6.877 -14.533 444 HB2 LEU 61 1HB LEU 61 -4.335 -4.088 -15.163 445 HB3 LEU 61 2HB LEU 61 -5.570 -4.832 -16.178 446 HG LEU 61 HG LEU 61 -5.734 -4.524 -13.180 447 HD11 LEU 61 1HD1 LEU 61 -7.416 -2.822 -13.650 448 HD12 LEU 61 2HD1 LEU 61 -7.119 -2.995 -15.379 449 HD13 LEU 61 3HD1 LEU 61 -5.850 -2.373 -14.325 450 HD21 LEU 61 1HD2 LEU 61 -7.083 -6.267 -14.914 451 HD22 LEU 61 2HD2 LEU 61 -8.220 -4.969 -14.545 452 HD23 LEU 61 3HD2 LEU 61 -7.480 -5.893 -13.236 453 H ASP 62 H ASP 62 -2.157 -6.250 -16.136 454 HA ASP 62 HA ASP 62 -3.133 -7.178 -18.719 455 HB2 ASP 62 1HB ASP 62 -1.502 -5.301 -18.579 456 HB3 ASP 62 2HB ASP 62 -0.322 -6.418 -17.898 457 H ASN 63 H ASN 63 -1.169 -8.274 -16.027 458 HA ASN 63 HA ASN 63 -1.131 -10.955 -17.234 459 HB2 ASN 63 1HB ASN 63 1.111 -11.329 -16.653 460 HB3 ASN 63 2HB ASN 63 1.114 -9.686 -17.286 461 HD21 ASN 63 1HD2 ASN 63 2.543 -11.427 -15.086 462 HD22 ASN 63 2HD2 ASN 63 2.711 -10.295 -13.792 463 HA PRO 64 HA PRO 64 -2.772 -10.742 -12.798 464 HB2 PRO 64 1HB PRO 64 -5.333 -11.453 -13.356 465 HB3 PRO 64 2HB PRO 64 -4.785 -9.773 -13.333 466 HG2 PRO 64 1HG PRO 64 -5.194 -11.601 -15.668 467 HG3 PRO 64 2HG PRO 64 -5.638 -9.893 -15.494 468 HD2 PRO 64 1HD PRO 64 -3.431 -10.694 -16.843 469 HD3 PRO 64 2HD PRO 64 -3.501 -9.161 -15.951 470 H LYS 65 H LYS 65 -2.076 -12.889 -15.174 471 HA LYS 65 HA LYS 65 -3.308 -15.246 -14.055 472 HB2 LYS 65 1HB LYS 65 -1.896 -16.442 -15.743 473 HB3 LYS 65 2HB LYS 65 -2.969 -15.227 -16.426 474 HG2 LYS 65 1HG LYS 65 -1.258 -13.864 -17.051 475 HG3 LYS 65 2HG LYS 65 -0.204 -14.399 -15.740 476 HD2 LYS 65 1HD LYS 65 0.838 -15.418 -17.498 477 HD3 LYS 65 2HD LYS 65 -0.318 -16.684 -17.077 478 HE2 LYS 65 1HE LYS 65 -1.842 -15.322 -18.769 479 HE3 LYS 65 2HE LYS 65 -0.270 -14.840 -19.406 480 HZ1 LYS 65 1HZ LYS 65 -1.204 -16.844 -20.474 481 HZ2 LYS 65 2HZ LYS 65 -1.109 -17.657 -18.994 482 HZ3 LYS 65 3HZ LYS 65 0.303 -17.119 -19.756 483 H ILE 66 H ILE 66 -0.521 -13.411 -13.436 484 HA ILE 66 HA ILE 66 0.522 -15.563 -11.725 485 HB ILE 66 HB ILE 66 2.763 -15.156 -12.297 486 HG12 ILE 66 1HG1 ILE 66 1.871 -12.782 -13.946 487 HG13 ILE 66 2HG1 ILE 66 2.556 -12.669 -12.329 488 HG21 ILE 66 1HG2 ILE 66 2.315 -16.456 -14.059 489 HG22 ILE 66 2HG2 ILE 66 0.855 -15.556 -14.466 490 HG23 ILE 66 3HG2 ILE 66 2.428 -14.975 -15.011 491 HD11 ILE 66 1HD1 ILE 66 4.614 -12.755 -13.132 492 HD12 ILE 66 2HD1 ILE 66 4.259 -14.221 -14.046 493 HD13 ILE 66 3HD1 ILE 66 3.921 -12.640 -14.750 494 H GLN 67 H GLN 67 1.464 -14.907 -9.785 495 HA GLN 67 HA GLN 67 0.396 -12.599 -8.595 496 HB2 GLN 67 1HB GLN 67 1.589 -13.208 -6.648 497 HB3 GLN 67 2HB GLN 67 1.184 -14.723 -7.443 498 HG2 GLN 67 1HG GLN 67 3.848 -13.325 -7.497 499 HG3 GLN 67 2HG GLN 67 3.444 -14.796 -6.614 500 HE21 GLN 67 1HE2 GLN 67 4.890 -13.633 -9.316 501 HE22 GLN 67 2HE2 GLN 67 4.800 -15.034 -10.324 502 H LEU 68 H LEU 68 1.168 -10.579 -8.267 503 HA LEU 68 HA LEU 68 3.539 -9.818 -9.783 504 HB2 LEU 68 1HB LEU 68 1.332 -8.608 -9.957 505 HB3 LEU 68 2HB LEU 68 1.624 -8.013 -8.324 506 HG LEU 68 HG LEU 68 3.719 -6.942 -9.181 507 HD11 LEU 68 1HD1 LEU 68 2.742 -8.198 -11.674 508 HD12 LEU 68 2HD1 LEU 68 4.388 -7.877 -11.132 509 HD13 LEU 68 3HD1 LEU 68 3.411 -6.571 -11.803 510 HD21 LEU 68 1HD2 LEU 68 1.137 -6.084 -10.485 511 HD22 LEU 68 2HD2 LEU 68 2.562 -5.073 -10.239 512 HD23 LEU 68 3HD2 LEU 68 1.655 -5.675 -8.850 513 H THR 69 H THR 69 5.304 -10.348 -8.578 514 HA THR 69 HA THR 69 5.517 -10.024 -5.782 515 HB THR 69 HB THR 69 7.898 -10.415 -6.055 516 HG1 THR 69 1HG THR 69 7.767 -9.081 -8.190 517 HG21 THR 69 1HG2 THR 69 6.477 -12.112 -8.100 518 HG22 THR 69 2HG2 THR 69 6.226 -12.292 -6.363 519 HG23 THR 69 3HG2 THR 69 7.824 -12.566 -7.057 520 H PHE 70 H PHE 70 7.317 -8.628 -4.808 521 HA PHE 70 HA PHE 70 6.653 -5.902 -5.264 522 HB2 PHE 70 1HB PHE 70 7.202 -6.329 -3.047 523 HB3 PHE 70 2HB PHE 70 8.576 -7.344 -3.477 524 HD1 PHE 70 2HD PHE 70 7.389 -3.881 -3.141 525 HD2 PHE 70 1HD PHE 70 10.739 -6.415 -3.830 526 HE1 PHE 70 2HE PHE 70 8.901 -1.972 -2.791 527 HE2 PHE 70 1HE PHE 70 12.256 -4.510 -3.481 528 HZ PHE 70 HZ PHE 70 11.338 -2.285 -2.962 529 H GLU 71 H GLU 71 9.520 -7.866 -5.957 530 HA GLU 71 HA GLU 71 11.196 -5.863 -6.912 531 HB2 GLU 71 1HB GLU 71 10.967 -8.799 -7.459 532 HB3 GLU 71 2HB GLU 71 12.091 -7.827 -8.397 533 HG2 GLU 71 1HG GLU 71 12.092 -7.865 -5.396 534 HG3 GLU 71 2HG GLU 71 13.030 -8.995 -6.371 535 H ALA 72 H ALA 72 9.219 -8.077 -8.895 536 HA ALA 72 HA ALA 72 9.591 -7.009 -11.367 537 HB1 ALA 72 1HB ALA 72 6.786 -7.568 -11.038 538 HB2 ALA 72 2HB ALA 72 8.014 -8.468 -11.930 539 HB3 ALA 72 3HB ALA 72 7.766 -8.780 -10.212 540 H THR 73 H THR 73 6.937 -6.024 -9.190 541 HA THR 73 HA THR 73 5.893 -3.958 -10.663 542 HB THR 73 HB THR 73 6.212 -4.001 -7.655 543 HG1 THR 73 1HG THR 73 4.934 -5.682 -7.935 544 HG21 THR 73 1HG2 THR 73 3.813 -2.759 -8.401 545 HG22 THR 73 2HG2 THR 73 5.052 -2.069 -9.450 546 HG23 THR 73 3HG2 THR 73 5.238 -1.996 -7.698 547 H LEU 74 H LEU 74 8.667 -3.856 -8.464 548 HA LEU 74 HA LEU 74 9.109 -1.071 -8.640 549 HB2 LEU 74 1HB LEU 74 10.135 -2.101 -6.833 550 HB3 LEU 74 2HB LEU 74 10.768 -3.418 -7.818 551 HG LEU 74 HG LEU 74 12.242 -1.549 -8.882 552 HD11 LEU 74 1HD1 LEU 74 12.081 -0.300 -6.193 553 HD12 LEU 74 2HD1 LEU 74 10.857 0.132 -7.386 554 HD13 LEU 74 3HD1 LEU 74 12.564 0.396 -7.740 555 HD21 LEU 74 1HD2 LEU 74 12.821 -2.456 -6.068 556 HD22 LEU 74 2HD2 LEU 74 13.985 -2.047 -7.328 557 HD23 LEU 74 3HD2 LEU 74 12.980 -3.488 -7.489 558 H GLN 75 H GLN 75 10.824 -3.774 -10.217 559 HA GLN 75 HA GLN 75 12.548 -2.359 -11.811 560 HB2 GLN 75 1HB GLN 75 11.057 -4.897 -12.497 561 HB3 GLN 75 2HB GLN 75 12.448 -4.287 -13.383 562 HG2 GLN 75 1HG GLN 75 12.565 -4.886 -10.447 563 HG3 GLN 75 2HG GLN 75 12.861 -6.116 -11.675 564 HE21 GLN 75 1HE2 GLN 75 14.517 -5.506 -13.334 565 HE22 GLN 75 2HE2 GLN 75 15.925 -4.676 -12.773 566 H GLN 76 H GLN 76 9.232 -3.344 -12.655 567 HA GLN 76 HA GLN 76 9.185 -2.114 -15.183 568 HB2 GLN 76 1HB GLN 76 6.895 -2.732 -13.309 569 HB3 GLN 76 2HB GLN 76 6.725 -2.311 -15.008 570 HG2 GLN 76 1HG GLN 76 7.599 -4.325 -15.732 571 HG3 GLN 76 2HG GLN 76 8.410 -4.639 -14.198 572 HE21 GLN 76 1HE2 GLN 76 6.802 -4.772 -12.302 573 HE22 GLN 76 2HE2 GLN 76 5.411 -5.758 -12.580 574 H LEU 77 H LEU 77 8.434 -0.920 -11.963 575 HA LEU 77 HA LEU 77 7.175 1.477 -12.673 576 HB2 LEU 77 1HB LEU 77 8.567 0.427 -10.286 577 HB3 LEU 77 2HB LEU 77 8.399 2.179 -10.391 578 HG LEU 77 HG LEU 77 5.989 0.451 -10.752 579 HD11 LEU 77 1HD1 LEU 77 7.026 1.306 -8.058 580 HD12 LEU 77 2HD1 LEU 77 7.196 -0.326 -8.704 581 HD13 LEU 77 3HD1 LEU 77 5.591 0.342 -8.407 582 HD21 LEU 77 1HD2 LEU 77 5.449 2.691 -9.197 583 HD22 LEU 77 2HD2 LEU 77 5.103 2.484 -10.915 584 HD23 LEU 77 3HD2 LEU 77 6.607 3.252 -10.404 585 H GLU 78 H GLU 78 8.088 3.683 -12.378 586 HA GLU 78 HA GLU 78 10.911 3.863 -13.172 587 HB2 GLU 78 1HB GLU 78 10.335 5.625 -14.800 588 HB3 GLU 78 2HB GLU 78 9.621 4.074 -15.216 589 HG2 GLU 78 1HG GLU 78 7.477 4.798 -14.349 590 HG3 GLU 78 2HG GLU 78 8.179 6.335 -13.850 591 H ALA 79 H ALA 79 11.994 5.164 -11.861 592 HA ALA 79 HA ALA 79 11.054 6.493 -9.687 593 HB1 ALA 79 1HB ALA 79 13.323 6.424 -9.651 594 HB2 ALA 79 2HB ALA 79 13.475 6.806 -11.366 595 HB3 ALA 79 3HB ALA 79 13.122 8.086 -10.206 596 HA PRO 80 HA PRO 80 11.986 8.537 -8.638 597 HB2 PRO 80 1HB PRO 80 10.354 10.024 -7.058 598 HB3 PRO 80 2HB PRO 80 11.608 10.734 -8.082 599 HG2 PRO 80 1HG PRO 80 8.667 10.491 -8.583 600 HG3 PRO 80 2HG PRO 80 9.742 11.869 -8.880 601 HD2 PRO 80 1HD PRO 80 8.954 10.186 -10.848 602 HD3 PRO 80 2HD PRO 80 10.540 10.983 -10.852 603 H TYR 81 H TYR 81 8.850 7.658 -9.592 604 HA TYR 81 HA TYR 81 7.565 6.719 -7.382 605 HB2 TYR 81 1HB TYR 81 7.777 5.067 -9.895 606 HB3 TYR 81 2HB TYR 81 6.417 5.183 -8.784 607 HD1 TYR 81 1HD TYR 81 6.319 8.174 -8.488 608 HD2 TYR 81 2HD TYR 81 6.772 5.707 -11.925 609 HE1 TYR 81 1HE TYR 81 5.330 9.944 -9.881 610 HE2 TYR 81 2HE TYR 81 5.785 7.470 -13.327 611 HH TYR 81 HH TYR 81 4.009 9.881 -12.270 612 H ASN 82 H ASN 82 9.863 4.786 -9.311 613 HA ASN 82 HA ASN 82 10.006 2.728 -7.325 614 HB2 ASN 82 1HB ASN 82 11.308 1.557 -8.834 615 HB3 ASN 82 2HB ASN 82 10.416 2.616 -9.922 616 HD21 ASN 82 1HD2 ASN 82 11.649 3.385 -11.461 617 HD22 ASN 82 2HD2 ASN 82 13.304 3.857 -11.308 618 H SER 83 H SER 83 11.911 5.542 -8.173 619 HA SER 83 HA SER 83 14.331 5.233 -7.104 620 HB2 SER 83 1HB SER 83 13.461 7.399 -7.913 621 HB3 SER 83 2HB SER 83 12.530 7.572 -6.426 622 HG SER 83 HG SER 83 14.417 7.741 -5.275 623 H ASP 84 H ASP 84 11.419 5.792 -5.148 624 HA ASP 84 HA ASP 84 12.934 5.190 -2.720 625 HB2 ASP 84 1HB ASP 84 10.238 6.407 -3.247 626 HB3 ASP 84 2HB ASP 84 10.644 5.783 -1.651 627 H THR 85 H THR 85 13.210 2.942 -3.169 628 HA THR 85 HA THR 85 11.302 1.073 -3.787 629 HB THR 85 HB THR 85 12.668 -0.550 -2.400 630 HG1 THR 85 1HG THR 85 13.806 1.884 -1.639 631 HG21 THR 85 1HG2 THR 85 13.979 -0.792 -4.198 632 HG22 THR 85 2HG2 THR 85 14.735 0.783 -3.953 633 HG23 THR 85 3HG2 THR 85 13.208 0.664 -4.827 634 H VAL 86 H VAL 86 11.998 2.488 -0.627 635 HA VAL 86 HA VAL 86 10.494 0.871 1.023 636 HB VAL 86 HB VAL 86 11.940 2.880 1.661 637 HG11 VAL 86 1HG1 VAL 86 10.811 4.544 0.286 638 HG12 VAL 86 2HG1 VAL 86 9.324 4.313 1.209 639 HG13 VAL 86 3HG1 VAL 86 10.752 4.995 1.989 640 HG21 VAL 86 1HG2 VAL 86 9.301 2.273 2.966 641 HG22 VAL 86 2HG2 VAL 86 10.899 1.659 3.390 642 HG23 VAL 86 3HG2 VAL 86 10.493 3.348 3.696 643 H LEU 87 H LEU 87 9.407 3.582 -0.977 644 HA LEU 87 HA LEU 87 6.719 3.548 -0.074 645 HB2 LEU 87 1HB LEU 87 8.081 5.347 -1.400 646 HB3 LEU 87 2HB LEU 87 7.469 4.481 -2.808 647 HG LEU 87 HG LEU 87 5.167 4.920 -2.052 648 HD11 LEU 87 1HD1 LEU 87 5.489 5.072 0.322 649 HD12 LEU 87 2HD1 LEU 87 4.827 6.599 -0.259 650 HD13 LEU 87 3HD1 LEU 87 6.541 6.475 0.133 651 HD21 LEU 87 1HD2 LEU 87 5.091 7.001 -2.980 652 HD22 LEU 87 2HD2 LEU 87 6.730 6.540 -3.442 653 HD23 LEU 87 3HD2 LEU 87 6.468 7.591 -2.049 654 H VAL 88 H VAL 88 8.306 2.195 -2.952 655 HA VAL 88 HA VAL 88 6.048 1.095 -4.165 656 HB VAL 88 HB VAL 88 8.893 0.079 -4.217 657 HG11 VAL 88 1HG1 VAL 88 7.435 -0.517 -6.590 658 HG12 VAL 88 2HG1 VAL 88 8.201 -1.629 -5.454 659 HG13 VAL 88 3HG1 VAL 88 6.530 -1.123 -5.204 660 HG21 VAL 88 1HG2 VAL 88 7.381 1.919 -6.067 661 HG22 VAL 88 2HG2 VAL 88 8.726 2.355 -5.013 662 HG23 VAL 88 3HG2 VAL 88 8.992 1.272 -6.379 663 H HIS 89 H HIS 89 8.054 -0.101 -1.550 664 HA HIS 89 HA HIS 89 6.975 -2.744 -1.539 665 HB2 HIS 89 1HB HIS 89 9.161 -2.340 -0.578 666 HB3 HIS 89 2HB HIS 89 8.484 -1.192 0.573 667 HD1 HIS 89 1HD HIS 89 9.588 -4.560 0.396 668 HD2 HIS 89 2HD HIS 89 6.445 -2.625 2.304 669 HE1 HIS 89 1HE HIS 89 8.861 -6.112 2.236 670 HE2 HIS 89 2HE HIS 89 6.903 -4.959 3.322 671 H ARG 90 H ARG 90 6.181 0.272 0.073 672 HA ARG 90 HA ARG 90 4.288 -0.898 1.876 673 HB2 ARG 90 1HB ARG 90 4.760 1.966 1.034 674 HB3 ARG 90 2HB ARG 90 3.618 1.481 2.281 675 HG2 ARG 90 1HG ARG 90 5.272 0.914 3.770 676 HG3 ARG 90 2HG ARG 90 6.462 0.621 2.500 677 HD2 ARG 90 1HD ARG 90 7.090 2.629 3.614 678 HD3 ARG 90 2HD ARG 90 6.443 3.081 2.038 679 HE ARG 90 HE ARG 90 4.738 4.185 3.093 680 HH11 ARG 90 2HH1 ARG 90 6.304 2.064 5.366 681 HH12 ARG 90 1HH1 ARG 90 5.439 2.678 6.735 682 HH21 ARG 90 2HH2 ARG 90 3.593 5.003 4.887 683 HH22 ARG 90 1HH2 ARG 90 3.896 4.350 6.461 684 H VAL 91 H VAL 91 3.999 1.070 -1.077 685 HA VAL 91 HA VAL 91 1.223 1.119 -1.251 686 HB VAL 91 HB VAL 91 3.284 1.136 -3.456 687 HG11 VAL 91 1HG1 VAL 91 1.089 2.392 -4.477 688 HG12 VAL 91 2HG1 VAL 91 1.551 0.724 -4.820 689 HG13 VAL 91 3HG1 VAL 91 0.359 1.070 -3.567 690 HG21 VAL 91 1HG2 VAL 91 2.717 3.572 -3.489 691 HG22 VAL 91 2HG2 VAL 91 1.772 3.314 -2.022 692 HG23 VAL 91 3HG2 VAL 91 3.512 3.028 -2.012 693 H HIS 92 H HIS 92 3.454 -1.103 -2.931 694 HA HIS 92 HA HIS 92 1.625 -2.732 -4.170 695 HB2 HIS 92 1HB HIS 92 4.153 -2.833 -4.333 696 HB3 HIS 92 2HB HIS 92 4.130 -3.777 -2.846 697 HD1 HIS 92 1HD HIS 92 3.166 -6.189 -2.990 698 HD2 HIS 92 2HD HIS 92 3.376 -4.198 -6.630 699 HE1 HIS 92 1HE HIS 92 2.835 -7.960 -4.745 700 HE2 HIS 92 2HE HIS 92 3.051 -6.746 -6.941 701 H SER 93 H SER 93 2.528 -2.660 -0.795 702 HA SER 93 HA SER 93 1.354 -5.143 -0.070 703 HB2 SER 93 1HB SER 93 3.047 -4.041 1.332 704 HB3 SER 93 2HB SER 93 1.932 -2.710 1.640 705 HG SER 93 HG SER 93 1.718 -5.407 2.470 706 H TYR 94 H TYR 94 0.252 -1.797 0.505 707 HA TYR 94 HA TYR 94 -2.197 -2.257 1.599 708 HB2 TYR 94 1HB TYR 94 -1.739 -0.011 1.471 709 HB3 TYR 94 2HB TYR 94 -1.129 -0.118 -0.176 710 HD1 TYR 94 2HD TYR 94 -2.760 -0.290 -2.073 711 HD2 TYR 94 1HD TYR 94 -3.995 0.562 1.908 712 HE1 TYR 94 2HE TYR 94 -4.904 0.560 -2.927 713 HE2 TYR 94 1HE TYR 94 -6.143 1.414 1.066 714 HH TYR 94 HH TYR 94 -7.561 0.921 -1.189 715 H LEU 95 H LEU 95 -1.317 -2.503 -1.800 716 HA LEU 95 HA LEU 95 -3.969 -2.882 -2.763 717 HB2 LEU 95 1HB LEU 95 -1.264 -3.485 -3.934 718 HB3 LEU 95 2HB LEU 95 -2.771 -3.787 -4.797 719 HG LEU 95 HG LEU 95 -1.998 -1.059 -3.788 720 HD11 LEU 95 1HD1 LEU 95 -1.709 -1.247 -6.597 721 HD12 LEU 95 2HD1 LEU 95 -0.757 -2.541 -5.870 722 HD13 LEU 95 3HD1 LEU 95 -0.481 -0.867 -5.389 723 HD21 LEU 95 1HD2 LEU 95 -4.185 -2.215 -5.406 724 HD22 LEU 95 2HD2 LEU 95 -3.538 -0.664 -5.941 725 HD23 LEU 95 3HD2 LEU 95 -4.189 -0.833 -4.310 726 H GLU 96 H GLU 96 -1.266 -5.211 -2.624 727 HA GLU 96 HA GLU 96 -2.751 -7.501 -3.087 728 HB2 GLU 96 1HB GLU 96 -0.315 -7.487 -3.136 729 HB3 GLU 96 2HB GLU 96 -0.259 -7.185 -1.405 730 HG2 GLU 96 1HG GLU 96 -1.446 -9.649 -2.656 731 HG3 GLU 96 2HG GLU 96 0.204 -9.534 -2.047 732 H ARG 97 H ARG 97 -1.661 -6.310 0.097 733 HA ARG 97 HA ARG 97 -2.845 -8.082 1.767 734 HB2 ARG 97 1HB ARG 97 -2.475 -5.114 1.998 735 HB3 ARG 97 2HB ARG 97 -3.276 -6.007 3.284 736 HG2 ARG 97 1HG ARG 97 -1.193 -7.525 3.223 737 HG3 ARG 97 2HG ARG 97 -0.444 -6.190 2.345 738 HD2 ARG 97 1HD ARG 97 0.063 -5.944 4.674 739 HD3 ARG 97 2HD ARG 97 -1.081 -4.683 4.216 740 HE ARG 97 HE ARG 97 -2.659 -5.643 5.591 741 HH11 ARG 97 2HH1 ARG 97 0.066 -7.780 5.238 742 HH12 ARG 97 1HH1 ARG 97 -0.446 -8.853 6.499 743 HH21 ARG 97 2HH2 ARG 97 -3.344 -7.048 7.252 744 HH22 ARG 97 1HH2 ARG 97 -2.386 -8.436 7.643 745 H HIS 98 H HIS 98 -4.453 -5.172 0.482 746 HA HIS 98 HA HIS 98 -6.972 -5.691 1.611 747 HB2 HIS 98 1HB HIS 98 -6.118 -4.064 -0.780 748 HB3 HIS 98 2HB HIS 98 -7.797 -4.154 -0.257 749 HD1 HIS 98 1HD HIS 98 -7.955 -1.708 0.439 750 HD2 HIS 98 2HD HIS 98 -4.904 -3.776 2.356 751 HE1 HIS 98 1HE HIS 98 -7.164 -0.187 2.279 752 HE2 HIS 98 2HE HIS 98 -5.261 -1.424 3.371 753 H GLY 99 H GLY 99 -5.555 -6.609 -1.495 754 HA2 GLY 99 1HA GLY 99 -6.201 -8.809 -2.368 755 HA3 GLY 99 2HA GLY 99 -7.847 -8.434 -1.882 756 H LEU 100 H LEU 100 -5.661 -6.180 -3.464 757 HA LEU 100 HA LEU 100 -7.569 -5.980 -5.673 758 HB2 LEU 100 1HB LEU 100 -5.210 -4.186 -5.199 759 HB3 LEU 100 2HB LEU 100 -6.670 -3.854 -6.129 760 HG LEU 100 HG LEU 100 -6.178 -3.640 -3.213 761 HD11 LEU 100 1HD1 LEU 100 -7.712 -2.118 -5.301 762 HD12 LEU 100 2HD1 LEU 100 -6.282 -1.610 -4.403 763 HD13 LEU 100 3HD1 LEU 100 -7.834 -1.759 -3.578 764 HD21 LEU 100 1HD2 LEU 100 -8.833 -3.642 -3.130 765 HD22 LEU 100 2HD2 LEU 100 -7.882 -5.096 -2.829 766 HD23 LEU 100 3HD2 LEU 100 -8.614 -4.833 -4.412 767 H ILE 101 H ILE 101 -4.531 -7.302 -4.935 768 HA ILE 101 HA ILE 101 -4.116 -7.946 -7.759 769 HB ILE 101 HB ILE 101 -1.689 -7.541 -7.570 770 HG12 ILE 101 1HG1 ILE 101 -2.194 -5.906 -5.108 771 HG13 ILE 101 2HG1 ILE 101 -1.877 -7.631 -4.959 772 HG21 ILE 101 1HG2 ILE 101 -2.891 -4.921 -6.874 773 HG22 ILE 101 2HG2 ILE 101 -1.853 -5.369 -8.226 774 HG23 ILE 101 3HG2 ILE 101 -3.565 -5.792 -8.251 775 HD11 ILE 101 1HD1 ILE 101 0.083 -6.553 -6.683 776 HD12 ILE 101 2HD1 ILE 101 -0.033 -5.503 -5.271 777 HD13 ILE 101 3HD1 ILE 101 0.288 -7.224 -5.065 778 H ASN 102 H ASN 102 -3.205 -9.939 -8.130 779 HA ASN 102 HA ASN 102 -2.556 -12.081 -7.726 780 HB2 ASN 102 1HB ASN 102 -1.666 -11.128 -5.000 781 HB3 ASN 102 2HB ASN 102 -1.092 -12.543 -5.879 782 HD21 ASN 102 1HD2 ASN 102 0.987 -11.470 -5.356 783 HD22 ASN 102 2HD2 ASN 102 1.597 -10.310 -6.483 784 H PHE 103 H PHE 103 -5.149 -11.809 -7.515 785 HA PHE 103 HA PHE 103 -5.881 -13.280 -5.069 786 HB2 PHE 103 1HB PHE 103 -8.179 -12.262 -5.380 787 HB3 PHE 103 2HB PHE 103 -6.914 -11.143 -4.883 788 HD1 PHE 103 1HD PHE 103 -8.289 -12.491 -8.084 789 HD2 PHE 103 2HD PHE 103 -6.962 -9.093 -5.892 790 HE1 PHE 103 1HE PHE 103 -8.819 -11.049 -10.006 791 HE2 PHE 103 2HE PHE 103 -7.491 -7.645 -7.810 792 HZ PHE 103 HZ PHE 103 -8.421 -8.623 -9.870 793 H GLY 104 H GLY 104 -5.043 -14.183 -7.797 794 HA2 GLY 104 1HA GLY 104 -6.861 -16.327 -8.067 795 HA3 GLY 104 2HA GLY 104 -7.207 -15.119 -9.295 796 H ILE 105 H ILE 105 -4.135 -16.276 -7.924 797 HA ILE 105 HA ILE 105 -3.395 -17.264 -10.591 798 HB ILE 105 HB ILE 105 -1.172 -16.324 -10.411 799 HG12 ILE 105 1HG1 ILE 105 -1.045 -16.386 -7.922 800 HG13 ILE 105 2HG1 ILE 105 -0.507 -14.856 -8.607 801 HG21 ILE 105 1HG2 ILE 105 -3.465 -14.415 -10.108 802 HG22 ILE 105 2HG2 ILE 105 -1.822 -13.845 -10.397 803 HG23 ILE 105 3HG2 ILE 105 -2.610 -14.897 -11.573 804 HD11 ILE 105 1HD1 ILE 105 -1.861 -13.875 -7.154 805 HD12 ILE 105 2HD1 ILE 105 -3.203 -14.471 -8.131 806 HD13 ILE 105 3HD1 ILE 105 -2.641 -15.402 -6.743 807 H TYR 106 H TYR 106 -2.821 -17.297 -7.116 808 HA TYR 106 HA TYR 106 -1.645 -19.984 -7.410 809 HB2 TYR 106 1HB TYR 106 -0.447 -19.449 -5.226 810 HB3 TYR 106 2HB TYR 106 0.130 -18.608 -6.660 811 HD1 TYR 106 1HD TYR 106 -2.493 -18.072 -4.041 812 HD2 TYR 106 2HD TYR 106 0.669 -16.396 -6.343 813 HE1 TYR 106 1HE TYR 106 -2.810 -15.918 -2.897 814 HE2 TYR 106 2HE TYR 106 0.361 -14.238 -5.204 815 HH TYR 106 HH TYR 106 -1.811 -13.112 -3.953 816 H LYS 107 H LYS 107 -1.946 -21.385 -5.500 817 HA LYS 107 HA LYS 107 -4.689 -21.242 -4.602 818 HB2 LYS 107 1HB LYS 107 -3.458 -23.354 -5.359 819 HB3 LYS 107 2HB LYS 107 -2.652 -23.311 -3.797 820 HG2 LYS 107 1HG LYS 107 -4.965 -23.296 -2.762 821 HG3 LYS 107 2HG LYS 107 -5.573 -23.695 -4.370 822 HD2 LYS 107 1HD LYS 107 -5.324 -25.764 -3.283 823 HD3 LYS 107 2HD LYS 107 -3.913 -25.631 -4.336 824 HE2 LYS 107 1HE LYS 107 -2.557 -24.904 -2.452 825 HE3 LYS 107 2HE LYS 107 -3.966 -24.961 -1.394 826 HZ1 LYS 107 1HZ LYS 107 -4.094 -27.398 -2.077 827 HZ2 LYS 107 2HZ LYS 107 -2.865 -26.954 -1.003 828 HZ3 LYS 107 3HZ LYS 107 -2.509 -27.209 -2.637 829 H ARG 108 H ARG 108 -4.714 -19.480 -3.186 830 HA ARG 108 HA ARG 108 -3.134 -19.790 -0.723 831 HB2 ARG 108 1HB ARG 108 -2.741 -17.680 -1.876 832 HB3 ARG 108 2HB ARG 108 -4.465 -17.338 -1.884 833 HG2 ARG 108 1HG ARG 108 -3.510 -16.039 -0.156 834 HG3 ARG 108 2HG ARG 108 -4.382 -17.361 0.623 835 HD2 ARG 108 1HD ARG 108 -2.231 -18.597 0.794 836 HD3 ARG 108 2HD ARG 108 -1.409 -17.173 0.158 837 HE ARG 108 HE ARG 108 -2.462 -17.533 2.820 838 HH11 ARG 108 2HH1 ARG 108 -1.415 -15.255 0.406 839 HH12 ARG 108 1HH1 ARG 108 -1.073 -14.000 1.550 840 HH21 ARG 108 2HH2 ARG 108 -2.016 -15.889 4.337 841 HH22 ARG 108 1HH2 ARG 108 -1.415 -14.362 3.786 842 H ILE 109 H ILE 109 -6.356 -18.760 -1.843 843 HA ILE 109 HA ILE 109 -7.435 -19.538 0.781 844 HB ILE 109 HB ILE 109 -8.700 -17.775 -1.320 845 HG12 ILE 109 1HG1 ILE 109 -6.706 -16.771 -0.225 846 HG13 ILE 109 2HG1 ILE 109 -8.198 -15.916 0.155 847 HG21 ILE 109 1HG2 ILE 109 -10.491 -18.662 -0.162 848 HG22 ILE 109 2HG2 ILE 109 -9.595 -18.766 1.352 849 HG23 ILE 109 3HG2 ILE 109 -10.148 -17.199 0.761 850 HD11 ILE 109 1HD1 ILE 109 -8.284 -16.956 2.326 851 HD12 ILE 109 2HD1 ILE 109 -6.864 -17.931 1.946 852 HD13 ILE 109 3HD1 ILE 109 -6.718 -16.180 2.095 853 H LYS 110 H LYS 110 -8.261 -19.625 -2.685 854 HA LYS 110 HA LYS 110 -10.041 -21.895 -2.167 855 HB2 LYS 110 1HB LYS 110 -9.794 -19.892 -4.375 856 HB3 LYS 110 2HB LYS 110 -10.528 -21.453 -4.717 857 HG2 LYS 110 1HG LYS 110 -11.451 -19.635 -2.507 858 HG3 LYS 110 2HG LYS 110 -12.128 -19.621 -4.137 859 HD2 LYS 110 1HD LYS 110 -12.857 -21.901 -3.912 860 HD3 LYS 110 2HD LYS 110 -12.028 -22.058 -2.361 861 HE2 LYS 110 1HE LYS 110 -13.526 -20.497 -1.334 862 HE3 LYS 110 2HE LYS 110 -14.258 -20.100 -2.888 863 HZ1 LYS 110 1HZ LYS 110 -15.170 -21.961 -1.133 864 HZ2 LYS 110 2HZ LYS 110 -14.365 -22.900 -2.287 865 HZ3 LYS 110 3HZ LYS 110 -15.603 -21.852 -2.765 866 HA PRO 111 HA PRO 111 -7.175 -24.812 -3.789 867 HB2 PRO 111 1HB PRO 111 -8.910 -26.730 -4.615 868 HB3 PRO 111 2HB PRO 111 -8.550 -26.431 -2.911 869 HG2 PRO 111 1HG PRO 111 -10.887 -25.515 -4.542 870 HG3 PRO 111 2HG PRO 111 -10.859 -26.161 -2.890 871 HD2 PRO 111 1HD PRO 111 -11.044 -23.511 -3.416 872 HD3 PRO 111 2HD PRO 111 -10.216 -24.144 -1.978 873 H LEU 112 H LEU 112 -7.088 -26.357 -5.837 874 HA LEU 112 HA LEU 112 -8.269 -25.384 -8.239 875 HB2 LEU 112 1HB LEU 112 -6.500 -24.294 -9.265 876 HB3 LEU 112 2HB LEU 112 -6.470 -23.667 -7.618 877 HG LEU 112 HG LEU 112 -4.684 -25.524 -7.231 878 HD11 LEU 112 1HD1 LEU 112 -4.870 -25.363 -10.209 879 HD12 LEU 112 2HD1 LEU 112 -4.673 -26.774 -9.171 880 HD13 LEU 112 3HD1 LEU 112 -3.318 -25.677 -9.432 881 HD21 LEU 112 1HD2 LEU 112 -2.960 -23.959 -7.704 882 HD22 LEU 112 2HD2 LEU 112 -4.378 -23.030 -7.219 883 HD23 LEU 112 3HD2 LEU 112 -3.940 -23.147 -8.924 884 HA PRO 113 HA PRO 113 -7.147 -29.414 -9.576 885 HB2 PRO 113 1HB PRO 113 -7.077 -29.058 -12.266 886 HB3 PRO 113 2HB PRO 113 -8.582 -29.092 -11.341 887 HG2 PRO 113 1HG PRO 113 -7.028 -26.738 -12.344 888 HG3 PRO 113 2HG PRO 113 -8.780 -27.011 -12.361 889 HD2 PRO 113 1HD PRO 113 -7.568 -25.446 -10.514 890 HD3 PRO 113 2HD PRO 113 -9.024 -26.395 -10.154 891 H THR 114 H THR 114 -5.072 -29.782 -8.840 892 HA THR 114 HA THR 114 -2.716 -28.590 -9.571 893 HB THR 114 HB THR 114 -3.119 -31.528 -8.974 894 HG1 THR 114 1HG THR 114 -3.033 -30.950 -6.896 895 HG21 THR 114 1HG2 THR 114 -0.769 -30.029 -9.693 896 HG22 THR 114 2HG2 THR 114 -0.938 -31.755 -9.375 897 HG23 THR 114 3HG2 THR 114 -0.625 -30.640 -8.045 898 H LYS 115 H LYS 115 -2.083 -28.159 -11.588 899 HA LYS 115 HA LYS 115 -2.474 -30.162 -13.686 900 HB2 LYS 115 1HB LYS 115 -1.583 -27.278 -13.875 901 HB3 LYS 115 2HB LYS 115 -1.875 -28.346 -15.242 902 HG2 LYS 115 1HG LYS 115 -4.244 -28.576 -14.086 903 HG3 LYS 115 2HG LYS 115 -3.802 -26.994 -13.440 904 HD2 LYS 115 1HD LYS 115 -3.508 -27.565 -16.363 905 HD3 LYS 115 2HD LYS 115 -5.087 -27.145 -15.694 906 HE2 LYS 115 1HE LYS 115 -2.743 -25.442 -15.006 907 HE3 LYS 115 2HE LYS 115 -3.446 -25.297 -16.616 908 HZ1 LYS 115 1HZ LYS 115 -4.997 -24.004 -15.746 909 HZ2 LYS 115 2HZ LYS 115 -4.386 -24.232 -14.186 910 HZ3 LYS 115 3HZ LYS 115 -5.550 -25.295 -14.802 911 H LYS 116 H LYS 116 -0.630 -30.241 -15.345 912 HA LYS 116 HA LYS 116 1.509 -31.578 -14.521 913 HB2 LYS 116 1HB LYS 116 2.814 -30.596 -16.432 914 HB3 LYS 116 2HB LYS 116 1.217 -31.195 -16.859 915 HG2 LYS 116 1HG LYS 116 1.358 -28.347 -16.127 916 HG3 LYS 116 2HG LYS 116 2.180 -28.805 -17.621 917 HD2 LYS 116 1HD LYS 116 0.238 -29.375 -18.674 918 HD3 LYS 116 2HD LYS 116 -0.556 -29.868 -17.176 919 HE2 LYS 116 1HE LYS 116 -1.700 -27.937 -17.634 920 HE3 LYS 116 2HE LYS 116 -0.397 -27.303 -16.630 921 HZ1 LYS 116 1HZ LYS 116 -0.801 -26.013 -18.684 922 HZ2 LYS 116 2HZ LYS 116 -0.332 -27.357 -19.597 923 HZ3 LYS 116 3HZ LYS 116 0.780 -26.603 -18.569 924 H THR 117 H THR 117 2.454 -31.099 -12.593 925 HA THR 117 HA THR 117 3.234 -28.515 -11.765 926 HB THR 117 HB THR 117 2.881 -30.428 -10.211 927 HG1 THR 117 1HG THR 117 4.312 -28.483 -9.813 928 HG21 THR 117 1HG2 THR 117 3.917 -32.358 -10.628 929 HG22 THR 117 2HG2 THR 117 5.434 -31.586 -10.164 930 HG23 THR 117 3HG2 THR 117 4.933 -31.602 -11.855 931 H GLY 118 H GLY 118 5.322 -27.598 -11.582 932 HA2 GLY 118 1HA GLY 118 7.345 -28.773 -13.384 933 HA3 GLY 118 2HA GLY 118 6.944 -27.064 -13.455 934 H SER 119 H SER 119 7.692 -29.390 -10.855 935 HA SER 119 HA SER 119 9.326 -27.351 -9.558 936 HB2 SER 119 1HB SER 119 7.627 -28.775 -8.305 937 HB3 SER 119 2HB SER 119 8.735 -30.128 -8.527 938 HG SER 119 HG SER 119 9.314 -29.275 -6.610 939 H GLY 120 H GLY 120 11.448 -27.983 -8.652 940 HA2 GLY 120 1HA GLY 120 12.871 -29.756 -10.538 941 HA3 GLY 120 2HA GLY 120 13.581 -28.325 -9.806 942 HA PRO 121 HA PRO 121 14.193 -32.343 -7.253 943 HB2 PRO 121 1HB PRO 121 16.616 -33.139 -8.184 944 HB3 PRO 121 2HB PRO 121 15.089 -33.715 -8.864 945 HG2 PRO 121 1HG PRO 121 16.917 -31.565 -9.864 946 HG3 PRO 121 2HG PRO 121 16.078 -32.834 -10.775 947 HD2 PRO 121 1HD PRO 121 15.175 -30.284 -10.658 948 HD3 PRO 121 2HD PRO 121 14.084 -31.678 -10.791 949 H SER 122 H SER 122 14.440 -30.848 -5.558 950 HA SER 122 HA SER 122 17.218 -29.973 -5.110 951 HB2 SER 122 1HB SER 122 16.297 -28.007 -3.889 952 HB3 SER 122 2HB SER 122 15.877 -28.008 -5.602 953 HG SER 122 HG SER 122 14.251 -28.009 -3.466 954 H SER 123 H SER 123 17.627 -29.511 -2.732 955 HA SER 123 HA SER 123 16.016 -31.026 -0.865 956 HB2 SER 123 1HB SER 123 17.489 -32.747 -1.892 957 HB3 SER 123 2HB SER 123 18.895 -31.825 -1.361 958 HG SER 123 HG SER 123 16.999 -33.223 0.183 959 H GLY 124 H GLY 124 16.031 -30.054 1.060 960 HA2 GLY 124 1HA GLY 124 17.331 -29.141 2.915 961 HA3 GLY 124 2HA GLY 124 18.333 -28.326 1.723 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -25.851 6.581 -37.585 2 HA2 GLY 1 1HA GLY 1 -23.999 5.291 -36.767 3 HA3 GLY 1 2HA GLY 1 -24.597 6.205 -35.390 4 H SER 2 H SER 2 -24.194 3.092 -36.792 5 HA SER 2 HA SER 2 -25.940 1.476 -35.444 6 HB2 SER 2 1HB SER 2 -23.081 1.071 -36.275 7 HB3 SER 2 2HB SER 2 -23.943 -0.197 -35.403 8 HG SER 2 HG SER 2 -25.236 0.955 -37.583 9 H SER 3 H SER 3 -26.400 1.167 -33.378 10 HA SER 3 HA SER 3 -24.492 2.054 -31.345 11 HB2 SER 3 1HB SER 3 -26.822 2.900 -31.241 12 HB3 SER 3 2HB SER 3 -27.394 1.244 -31.034 13 HG SER 3 HG SER 3 -25.943 1.218 -29.140 14 H GLY 4 H GLY 4 -23.363 0.676 -30.134 15 HA2 GLY 4 1HA GLY 4 -24.089 -1.645 -28.945 16 HA3 GLY 4 2HA GLY 4 -23.662 -2.164 -30.569 17 H SER 5 H SER 5 -22.393 -2.822 -28.019 18 HA SER 5 HA SER 5 -19.667 -2.065 -28.759 19 HB2 SER 5 1HB SER 5 -20.742 -0.633 -26.812 20 HB3 SER 5 2HB SER 5 -20.345 -2.054 -25.846 21 HG SER 5 HG SER 5 -18.349 -1.117 -27.527 22 H SER 6 H SER 6 -18.296 -3.734 -28.678 23 HA SER 6 HA SER 6 -19.273 -6.243 -27.511 24 HB2 SER 6 1HB SER 6 -17.351 -7.220 -28.918 25 HB3 SER 6 2HB SER 6 -18.751 -6.588 -29.785 26 HG SER 6 HG SER 6 -16.494 -4.977 -29.256 27 H GLY 7 H GLY 7 -17.209 -3.724 -26.812 28 HA2 GLY 7 1HA GLY 7 -16.262 -4.560 -24.428 29 HA3 GLY 7 2HA GLY 7 -15.117 -5.278 -25.552 30 H GLU 8 H GLU 8 -14.483 -3.355 -23.555 31 HA GLU 8 HA GLU 8 -13.530 -1.177 -25.285 32 HB2 GLU 8 1HB GLU 8 -13.791 0.376 -23.344 33 HB3 GLU 8 2HB GLU 8 -15.311 -0.214 -24.000 34 HG2 GLU 8 1HG GLU 8 -15.635 -1.688 -22.185 35 HG3 GLU 8 2HG GLU 8 -13.981 -1.466 -21.618 36 H GLU 9 H GLU 9 -11.478 -0.386 -24.839 37 HA GLU 9 HA GLU 9 -9.872 -2.101 -23.075 38 HB2 GLU 9 1HB GLU 9 -9.310 -0.628 -25.604 39 HB3 GLU 9 2HB GLU 9 -7.989 -0.840 -24.464 40 HG2 GLU 9 1HG GLU 9 -8.564 -3.312 -24.488 41 HG3 GLU 9 2HG GLU 9 -9.572 -2.951 -25.888 42 HA PRO 10 HA PRO 10 -8.890 1.148 -20.298 43 HB2 PRO 10 1HB PRO 10 -6.265 0.692 -19.772 44 HB3 PRO 10 2HB PRO 10 -7.561 -0.349 -19.169 45 HG2 PRO 10 1HG PRO 10 -5.765 -0.737 -21.532 46 HG3 PRO 10 2HG PRO 10 -6.281 -1.917 -20.313 47 HD2 PRO 10 1HD PRO 10 -7.412 -1.770 -22.768 48 HD3 PRO 10 2HD PRO 10 -8.324 -2.257 -21.325 49 H SER 11 H SER 11 -8.672 3.243 -20.729 50 HA SER 11 HA SER 11 -7.389 4.258 -23.016 51 HB2 SER 11 1HB SER 11 -9.242 5.302 -21.485 52 HB3 SER 11 2HB SER 11 -7.871 5.974 -20.602 53 HG SER 11 HG SER 11 -7.960 6.236 -23.392 54 H GLY 12 H GLY 12 -6.465 4.629 -19.584 55 HA2 GLY 12 1HA GLY 12 -3.653 4.481 -20.371 56 HA3 GLY 12 2HA GLY 12 -4.187 5.957 -19.582 57 H VAL 13 H VAL 13 -2.564 5.384 -17.968 58 HA VAL 13 HA VAL 13 -2.765 3.059 -16.377 59 HB VAL 13 HB VAL 13 -1.522 5.747 -15.792 60 HG11 VAL 13 1HG1 VAL 13 -1.561 5.093 -13.648 61 HG12 VAL 13 2HG1 VAL 13 -1.956 3.424 -14.064 62 HG13 VAL 13 3HG1 VAL 13 -0.282 3.977 -14.128 63 HG21 VAL 13 1HG2 VAL 13 -0.598 4.288 -17.644 64 HG22 VAL 13 2HG2 VAL 13 0.540 4.750 -16.378 65 HG23 VAL 13 3HG2 VAL 13 -0.160 3.131 -16.387 66 H GLU 14 H GLU 14 -4.272 6.221 -16.192 67 HA GLU 14 HA GLU 14 -5.248 6.070 -13.563 68 HB2 GLU 14 1HB GLU 14 -6.411 7.503 -15.957 69 HB3 GLU 14 2HB GLU 14 -6.888 7.777 -14.287 70 HG2 GLU 14 1HG GLU 14 -5.418 9.500 -14.653 71 HG3 GLU 14 2HG GLU 14 -4.374 8.285 -13.917 72 H GLY 15 H GLY 15 -6.826 5.250 -16.652 73 HA2 GLY 15 1HA GLY 15 -9.308 4.521 -15.970 74 HA3 GLY 15 2HA GLY 15 -8.345 3.539 -17.063 75 H ALA 16 H ALA 16 -6.490 2.414 -15.431 76 HA ALA 16 HA ALA 16 -7.612 0.169 -14.434 77 HB1 ALA 16 1HB ALA 16 -5.498 -0.304 -13.955 78 HB2 ALA 16 2HB ALA 16 -5.076 1.377 -14.285 79 HB3 ALA 16 3HB ALA 16 -5.494 0.878 -12.646 80 H ALA 17 H ALA 17 -6.941 3.084 -12.497 81 HA ALA 17 HA ALA 17 -7.726 2.398 -10.022 82 HB1 ALA 17 1HB ALA 17 -8.894 4.911 -11.132 83 HB2 ALA 17 2HB ALA 17 -8.118 4.624 -9.574 84 HB3 ALA 17 3HB ALA 17 -7.142 4.726 -11.040 85 H PHE 18 H PHE 18 -9.889 2.954 -12.751 86 HA PHE 18 HA PHE 18 -12.353 3.134 -11.741 87 HB2 PHE 18 1HB PHE 18 -12.276 2.902 -14.060 88 HB3 PHE 18 2HB PHE 18 -11.327 1.422 -13.980 89 HD1 PHE 18 1HD PHE 18 -12.424 -0.707 -13.324 90 HD2 PHE 18 2HD PHE 18 -14.637 2.854 -14.062 91 HE1 PHE 18 1HE PHE 18 -14.479 -2.038 -13.569 92 HE2 PHE 18 2HE PHE 18 -16.695 1.528 -14.307 93 HZ PHE 18 HZ PHE 18 -16.618 -0.921 -14.060 94 H GLN 19 H GLN 19 -10.403 0.191 -11.686 95 HA GLN 19 HA GLN 19 -12.454 -1.403 -10.476 96 HB2 GLN 19 1HB GLN 19 -10.821 -3.142 -10.370 97 HB3 GLN 19 2HB GLN 19 -10.598 -2.309 -11.902 98 HG2 GLN 19 1HG GLN 19 -8.435 -2.531 -11.202 99 HG3 GLN 19 2HG GLN 19 -8.830 -0.933 -10.570 100 HE21 GLN 19 1HE2 GLN 19 -7.432 -0.927 -8.880 101 HE22 GLN 19 2HE2 GLN 19 -7.551 -1.997 -7.529 102 H SER 20 H SER 20 -9.572 0.294 -9.330 103 HA SER 20 HA SER 20 -9.615 -0.620 -6.680 104 HB2 SER 20 1HB SER 20 -8.255 1.392 -6.174 105 HB3 SER 20 2HB SER 20 -7.677 0.537 -7.604 106 HG SER 20 HG SER 20 -9.528 2.621 -7.908 107 H ARG 21 H ARG 21 -11.628 1.620 -8.334 108 HA ARG 21 HA ARG 21 -13.414 2.875 -7.695 109 HB2 ARG 21 1HB ARG 21 -13.241 1.001 -5.337 110 HB3 ARG 21 2HB ARG 21 -14.521 2.194 -5.512 111 HG2 ARG 21 1HG ARG 21 -13.938 0.110 -7.596 112 HG3 ARG 21 2HG ARG 21 -15.069 -0.143 -6.265 113 HD2 ARG 21 1HD ARG 21 -15.347 2.290 -7.964 114 HD3 ARG 21 2HD ARG 21 -15.899 0.739 -8.595 115 HE ARG 21 HE ARG 21 -16.933 1.119 -6.006 116 HH11 ARG 21 2HH1 ARG 21 -17.273 2.332 -9.251 117 HH12 ARG 21 1HH1 ARG 21 -18.932 2.787 -9.047 118 HH21 ARG 21 2HH2 ARG 21 -19.117 1.714 -5.724 119 HH22 ARG 21 1HH2 ARG 21 -19.980 2.436 -7.040 120 H LEU 22 H LEU 22 -10.928 4.027 -7.282 121 HA LEU 22 HA LEU 22 -11.570 5.895 -5.153 122 HB2 LEU 22 1HB LEU 22 -9.276 5.776 -4.221 123 HB3 LEU 22 2HB LEU 22 -10.240 4.327 -3.941 124 HG LEU 22 HG LEU 22 -8.996 3.431 -6.053 125 HD11 LEU 22 1HD1 LEU 22 -7.420 4.722 -6.919 126 HD12 LEU 22 2HD1 LEU 22 -6.571 4.728 -5.374 127 HD13 LEU 22 3HD1 LEU 22 -7.770 5.972 -5.725 128 HD21 LEU 22 1HD2 LEU 22 -7.305 2.469 -4.638 129 HD22 LEU 22 2HD2 LEU 22 -8.815 2.576 -3.732 130 HD23 LEU 22 3HD2 LEU 22 -7.526 3.744 -3.439 131 HA PRO 23 HA PRO 23 -9.936 8.834 -7.975 132 HB2 PRO 23 1HB PRO 23 -9.050 10.755 -6.273 133 HB3 PRO 23 2HB PRO 23 -10.765 10.457 -6.576 134 HG2 PRO 23 1HG PRO 23 -9.061 9.545 -4.291 135 HG3 PRO 23 2HG PRO 23 -10.711 10.193 -4.267 136 HD2 PRO 23 1HD PRO 23 -10.184 7.543 -4.093 137 HD3 PRO 23 2HD PRO 23 -11.647 8.176 -4.875 138 H HIS 24 H HIS 24 -8.087 9.064 -9.082 139 HA HIS 24 HA HIS 24 -5.627 8.041 -7.917 140 HB2 HIS 24 1HB HIS 24 -4.743 8.090 -10.172 141 HB3 HIS 24 2HB HIS 24 -6.340 7.346 -10.194 142 HD1 HIS 24 1HD HIS 24 -8.322 8.929 -11.077 143 HD2 HIS 24 2HD HIS 24 -4.452 10.242 -11.829 144 HE1 HIS 24 1HE HIS 24 -8.541 10.676 -12.873 145 HE2 HIS 24 2HE HIS 24 -6.179 11.394 -13.371 146 H ASP 25 H ASP 25 -7.138 10.990 -8.127 147 HA ASP 25 HA ASP 25 -4.692 12.549 -8.436 148 HB2 ASP 25 1HB ASP 25 -6.102 14.484 -8.526 149 HB3 ASP 25 2HB ASP 25 -6.850 13.244 -9.528 150 H ARG 26 H ARG 26 -6.867 11.425 -5.979 151 HA ARG 26 HA ARG 26 -5.170 12.699 -3.951 152 HB2 ARG 26 1HB ARG 26 -7.070 13.319 -2.609 153 HB3 ARG 26 2HB ARG 26 -7.275 14.003 -4.216 154 HG2 ARG 26 1HG ARG 26 -8.659 11.847 -4.664 155 HG3 ARG 26 2HG ARG 26 -8.761 11.777 -2.904 156 HD2 ARG 26 1HD ARG 26 -9.397 14.322 -4.336 157 HD3 ARG 26 2HD ARG 26 -10.594 13.029 -4.272 158 HE ARG 26 HE ARG 26 -9.608 13.524 -1.683 159 HH11 ARG 26 2HH1 ARG 26 -11.612 14.976 -4.132 160 HH12 ARG 26 1HH1 ARG 26 -12.579 15.862 -3.000 161 HH21 ARG 26 2HH2 ARG 26 -10.874 14.686 -0.183 162 HH22 ARG 26 1HH2 ARG 26 -12.157 15.697 -0.754 163 H MET 27 H MET 27 -5.817 11.730 -1.696 164 HA MET 27 HA MET 27 -5.870 8.813 -2.049 165 HB2 MET 27 1HB MET 27 -4.895 10.398 0.333 166 HB3 MET 27 2HB MET 27 -4.727 8.665 0.088 167 HG2 MET 27 1HG MET 27 -3.099 8.919 -1.537 168 HG3 MET 27 2HG MET 27 -3.559 10.586 -1.876 169 HE1 MET 27 1HE MET 27 -1.912 9.279 2.105 170 HE2 MET 27 2HE MET 27 -2.740 8.294 0.899 171 HE3 MET 27 3HE MET 27 -0.990 8.504 0.815 172 H THR 28 H THR 28 -6.997 7.525 -0.449 173 HA THR 28 HA THR 28 -9.465 8.846 0.426 174 HB THR 28 HB THR 28 -10.414 6.585 0.612 175 HG1 THR 28 1HG THR 28 -8.402 5.500 1.062 176 HG21 THR 28 1HG2 THR 28 -9.112 7.360 -1.986 177 HG22 THR 28 2HG2 THR 28 -10.790 7.574 -1.490 178 HG23 THR 28 3HG2 THR 28 -10.178 5.962 -1.858 179 H SER 29 H SER 29 -10.359 8.382 2.508 180 HA SER 29 HA SER 29 -8.903 8.867 4.683 181 HB2 SER 29 1HB SER 29 -11.303 7.096 4.358 182 HB3 SER 29 2HB SER 29 -10.551 7.272 5.944 183 HG SER 29 HG SER 29 -10.733 9.667 5.314 184 H GLN 30 H GLN 30 -9.220 5.676 3.207 185 HA GLN 30 HA GLN 30 -7.787 4.251 5.180 186 HB2 GLN 30 1HB GLN 30 -8.660 3.735 2.386 187 HB3 GLN 30 2HB GLN 30 -7.376 2.719 3.028 188 HG2 GLN 30 1HG GLN 30 -8.859 2.190 4.959 189 HG3 GLN 30 2HG GLN 30 -10.149 3.065 4.136 190 HE21 GLN 30 1HE2 GLN 30 -7.673 0.768 3.049 191 HE22 GLN 30 2HE2 GLN 30 -8.777 -0.336 2.311 192 H GLU 31 H GLU 31 -6.703 5.027 1.870 193 HA GLU 31 HA GLU 31 -4.041 4.432 2.169 194 HB2 GLU 31 1HB GLU 31 -5.388 6.541 0.489 195 HB3 GLU 31 2HB GLU 31 -3.663 6.217 0.384 196 HG2 GLU 31 1HG GLU 31 -5.092 5.084 -1.335 197 HG3 GLU 31 2HG GLU 31 -4.022 4.027 -0.416 198 H ALA 32 H ALA 32 -5.709 7.419 3.032 199 HA ALA 32 HA ALA 32 -3.441 8.959 3.658 200 HB1 ALA 32 1HB ALA 32 -4.980 10.382 4.920 201 HB2 ALA 32 2HB ALA 32 -5.645 9.947 3.345 202 HB3 ALA 32 3HB ALA 32 -6.226 9.139 4.801 203 H ALA 33 H ALA 33 -5.421 6.782 5.624 204 HA ALA 33 HA ALA 33 -4.079 7.329 8.072 205 HB1 ALA 33 1HB ALA 33 -5.830 6.221 8.859 206 HB2 ALA 33 2HB ALA 33 -6.291 5.761 7.219 207 HB3 ALA 33 3HB ALA 33 -5.205 4.731 8.152 208 H CYS 34 H CYS 34 -3.749 4.805 5.609 209 HA CYS 34 HA CYS 34 -1.765 3.323 6.995 210 HB2 CYS 34 1HB CYS 34 -3.302 2.711 4.926 211 HB3 CYS 34 2HB CYS 34 -1.910 3.281 4.013 212 HG CYS 34 HG CYS 34 -2.389 0.373 5.452 213 H PHE 35 H PHE 35 -1.656 5.934 4.636 214 HA PHE 35 HA PHE 35 1.261 6.076 5.033 215 HB2 PHE 35 1HB PHE 35 -0.266 6.953 2.574 216 HB3 PHE 35 2HB PHE 35 1.482 6.961 2.783 217 HD1 PHE 35 2HD PHE 35 -1.461 4.709 2.642 218 HD2 PHE 35 1HD PHE 35 2.755 5.100 2.208 219 HE1 PHE 35 2HE PHE 35 -1.347 2.426 1.732 220 HE2 PHE 35 1HE PHE 35 2.876 2.818 1.295 221 HZ PHE 35 HZ PHE 35 0.824 1.477 1.058 222 HA PRO 36 HA PRO 36 -0.510 9.943 6.779 223 HB2 PRO 36 1HB PRO 36 1.331 10.137 8.764 224 HB3 PRO 36 2HB PRO 36 -0.134 9.158 8.904 225 HG2 PRO 36 1HG PRO 36 2.657 8.306 8.236 226 HG3 PRO 36 2HG PRO 36 1.480 7.534 9.315 227 HD2 PRO 36 1HD PRO 36 1.940 6.658 6.795 228 HD3 PRO 36 2HD PRO 36 0.349 6.537 7.572 229 H ASP 37 H ASP 37 2.877 9.072 6.192 230 HA ASP 37 HA ASP 37 3.872 11.711 6.062 231 HB2 ASP 37 1HB ASP 37 5.015 9.328 4.602 232 HB3 ASP 37 2HB ASP 37 5.873 10.757 5.172 233 H ILE 38 H ILE 38 2.299 9.647 3.733 234 HA ILE 38 HA ILE 38 3.005 11.222 1.444 235 HB ILE 38 HB ILE 38 0.788 9.192 1.732 236 HG12 ILE 38 1HG1 ILE 38 3.091 8.332 2.237 237 HG13 ILE 38 2HG1 ILE 38 2.322 7.564 0.853 238 HG21 ILE 38 1HG2 ILE 38 0.947 10.957 -0.234 239 HG22 ILE 38 2HG2 ILE 38 2.118 9.793 -0.852 240 HG23 ILE 38 3HG2 ILE 38 0.461 9.287 -0.522 241 HD11 ILE 38 1HD1 ILE 38 3.762 8.518 -0.646 242 HD12 ILE 38 2HD1 ILE 38 4.114 9.894 0.399 243 HD13 ILE 38 3HD1 ILE 38 4.816 8.315 0.753 244 H ILE 39 H ILE 39 -0.018 10.748 3.272 245 HA ILE 39 HA ILE 39 -1.498 12.697 1.871 246 HB ILE 39 HB ILE 39 -2.585 10.965 3.211 247 HG12 ILE 39 1HG1 ILE 39 -4.157 12.519 4.509 248 HG13 ILE 39 2HG1 ILE 39 -3.122 13.835 3.963 249 HG21 ILE 39 1HG2 ILE 39 -0.753 11.326 5.077 250 HG22 ILE 39 2HG2 ILE 39 -1.984 12.397 5.744 251 HG23 ILE 39 3HG2 ILE 39 -2.353 10.695 5.467 252 HD11 ILE 39 1HD1 ILE 39 -4.348 11.912 2.026 253 HD12 ILE 39 2HD1 ILE 39 -5.228 13.321 2.619 254 HD13 ILE 39 3HD1 ILE 39 -3.717 13.533 1.734 255 H SER 40 H SER 40 0.664 12.877 4.611 256 HA SER 40 HA SER 40 0.001 15.705 5.011 257 HB2 SER 40 1HB SER 40 1.789 13.908 6.668 258 HB3 SER 40 2HB SER 40 1.275 15.542 7.086 259 HG SER 40 HG SER 40 -0.012 13.205 7.462 260 H GLY 41 H GLY 41 1.508 14.662 2.689 261 HA2 GLY 41 1HA GLY 41 4.059 16.084 3.150 262 HA3 GLY 41 2HA GLY 41 3.890 14.729 2.044 263 HA PRO 42 HA PRO 42 3.454 18.794 -0.251 264 HB2 PRO 42 1HB PRO 42 5.492 18.357 -1.991 265 HB3 PRO 42 2HB PRO 42 5.720 19.134 -0.420 266 HG2 PRO 42 1HG PRO 42 6.220 16.292 -1.218 267 HG3 PRO 42 2HG PRO 42 7.217 17.365 -0.218 268 HD2 PRO 42 1HD PRO 42 5.595 15.475 0.844 269 HD3 PRO 42 2HD PRO 42 5.932 17.014 1.663 270 H GLN 43 H GLN 43 2.357 18.996 -2.157 271 HA GLN 43 HA GLN 43 0.805 17.088 -3.215 272 HB2 GLN 43 1HB GLN 43 0.969 19.564 -3.860 273 HB3 GLN 43 2HB GLN 43 2.158 19.054 -5.051 274 HG2 GLN 43 1HG GLN 43 -0.078 19.292 -6.011 275 HG3 GLN 43 2HG GLN 43 0.528 17.642 -6.133 276 HE21 GLN 43 1HE2 GLN 43 -1.749 17.143 -6.465 277 HE22 GLN 43 2HE2 GLN 43 -2.764 16.912 -5.087 278 H GLN 44 H GLN 44 4.117 17.758 -4.306 279 HA GLN 44 HA GLN 44 4.299 15.968 -6.396 280 HB2 GLN 44 1HB GLN 44 6.058 17.590 -5.782 281 HB3 GLN 44 2HB GLN 44 6.459 16.608 -4.380 282 HG2 GLN 44 1HG GLN 44 6.951 14.729 -5.982 283 HG3 GLN 44 2HG GLN 44 6.808 15.912 -7.280 284 HE21 GLN 44 1HE2 GLN 44 9.128 14.510 -6.897 285 HE22 GLN 44 2HE2 GLN 44 10.367 15.577 -6.339 286 H THR 45 H THR 45 5.239 15.331 -3.013 287 HA THR 45 HA THR 45 5.876 12.663 -3.234 288 HB THR 45 HB THR 45 4.536 14.069 -0.917 289 HG1 THR 45 1HG THR 45 6.906 13.723 -0.220 290 HG21 THR 45 1HG2 THR 45 4.496 12.154 0.226 291 HG22 THR 45 2HG2 THR 45 6.170 11.802 -0.203 292 HG23 THR 45 3HG2 THR 45 4.862 11.314 -1.280 293 H GLN 46 H GLN 46 2.680 14.021 -2.427 294 HA GLN 46 HA GLN 46 1.250 11.682 -2.168 295 HB2 GLN 46 1HB GLN 46 0.417 14.362 -3.272 296 HB3 GLN 46 2HB GLN 46 -0.723 13.051 -3.002 297 HG2 GLN 46 1HG GLN 46 -0.151 13.034 -0.630 298 HG3 GLN 46 2HG GLN 46 0.995 14.347 -0.899 299 HE21 GLN 46 1HE2 GLN 46 -1.158 14.447 0.902 300 HE22 GLN 46 2HE2 GLN 46 -2.256 15.666 0.363 301 H LYS 47 H LYS 47 1.918 13.501 -5.143 302 HA LYS 47 HA LYS 47 0.470 11.840 -6.888 303 HB2 LYS 47 1HB LYS 47 2.914 13.528 -7.458 304 HB3 LYS 47 2HB LYS 47 1.834 12.857 -8.674 305 HG2 LYS 47 1HG LYS 47 0.126 14.319 -8.156 306 HG3 LYS 47 2HG LYS 47 0.744 14.630 -6.533 307 HD2 LYS 47 1HD LYS 47 1.241 16.589 -7.696 308 HD3 LYS 47 2HD LYS 47 2.760 15.690 -7.732 309 HE2 LYS 47 1HE LYS 47 2.168 14.857 -9.982 310 HE3 LYS 47 2HE LYS 47 0.710 15.848 -9.940 311 HZ1 LYS 47 1HZ LYS 47 2.031 17.818 -9.858 312 HZ2 LYS 47 2HZ LYS 47 2.587 16.877 -11.148 313 HZ3 LYS 47 3HZ LYS 47 3.463 16.931 -9.702 314 H VAL 48 H VAL 48 3.902 11.822 -5.969 315 HA VAL 48 HA VAL 48 4.840 9.811 -7.598 316 HB VAL 48 HB VAL 48 5.605 10.321 -4.720 317 HG11 VAL 48 1HG1 VAL 48 7.609 9.236 -6.562 318 HG12 VAL 48 2HG1 VAL 48 7.257 8.811 -4.886 319 HG13 VAL 48 3HG1 VAL 48 6.284 8.132 -6.191 320 HG21 VAL 48 1HG2 VAL 48 7.508 11.228 -6.652 321 HG22 VAL 48 2HG2 VAL 48 5.924 11.907 -7.028 322 HG23 VAL 48 3HG2 VAL 48 6.635 12.156 -5.433 323 H PHE 49 H PHE 49 3.139 9.509 -4.510 324 HA PHE 49 HA PHE 49 3.301 6.632 -4.524 325 HB2 PHE 49 1HB PHE 49 3.208 7.324 -2.343 326 HB3 PHE 49 2HB PHE 49 2.188 8.710 -2.715 327 HD1 PHE 49 1HD PHE 49 -0.262 8.228 -3.317 328 HD2 PHE 49 2HD PHE 49 2.294 5.423 -1.389 329 HE1 PHE 49 1HE PHE 49 -2.231 6.998 -2.502 330 HE2 PHE 49 2HE PHE 49 0.329 4.188 -0.572 331 HZ PHE 49 HZ PHE 49 -1.937 4.975 -1.129 332 H LEU 50 H LEU 50 0.880 9.086 -5.260 333 HA LEU 50 HA LEU 50 -1.305 7.331 -5.599 334 HB2 LEU 50 1HB LEU 50 -0.683 10.117 -6.473 335 HB3 LEU 50 2HB LEU 50 -2.099 9.296 -7.127 336 HG LEU 50 HG LEU 50 -1.606 9.728 -4.183 337 HD11 LEU 50 1HD1 LEU 50 -3.565 11.249 -5.869 338 HD12 LEU 50 2HD1 LEU 50 -1.914 11.820 -5.626 339 HD13 LEU 50 3HD1 LEU 50 -2.987 11.609 -4.242 340 HD21 LEU 50 1HD2 LEU 50 -4.317 9.317 -5.221 341 HD22 LEU 50 2HD2 LEU 50 -3.528 8.636 -3.798 342 HD23 LEU 50 3HD2 LEU 50 -3.246 7.925 -5.388 343 H PHE 51 H PHE 51 1.476 7.825 -7.460 344 HA PHE 51 HA PHE 51 0.226 6.959 -9.951 345 HB2 PHE 51 1HB PHE 51 1.832 8.736 -10.185 346 HB3 PHE 51 2HB PHE 51 3.044 7.827 -9.290 347 HD1 PHE 51 1HD PHE 51 3.970 5.719 -10.310 348 HD2 PHE 51 2HD PHE 51 1.611 8.502 -12.502 349 HE1 PHE 51 1HE PHE 51 4.821 4.776 -12.417 350 HE2 PHE 51 2HE PHE 51 2.457 7.562 -14.613 351 HZ PHE 51 HZ PHE 51 4.063 5.696 -14.572 352 H ILE 52 H ILE 52 2.351 5.796 -7.427 353 HA ILE 52 HA ILE 52 3.315 3.489 -8.721 354 HB ILE 52 HB ILE 52 2.908 4.066 -5.788 355 HG12 ILE 52 1HG1 ILE 52 5.568 3.817 -7.120 356 HG13 ILE 52 2HG1 ILE 52 4.634 5.283 -7.399 357 HG21 ILE 52 1HG2 ILE 52 4.855 2.083 -6.086 358 HG22 ILE 52 2HG2 ILE 52 3.246 1.909 -5.387 359 HG23 ILE 52 3HG2 ILE 52 3.504 1.578 -7.100 360 HD11 ILE 52 1HD1 ILE 52 4.677 4.647 -4.602 361 HD12 ILE 52 2HD1 ILE 52 6.315 4.723 -5.251 362 HD13 ILE 52 3HD1 ILE 52 5.229 6.100 -5.435 363 H ARG 53 H ARG 53 0.424 4.078 -6.778 364 HA ARG 53 HA ARG 53 -0.434 1.402 -6.593 365 HB2 ARG 53 1HB ARG 53 -2.705 2.449 -6.190 366 HB3 ARG 53 2HB ARG 53 -1.417 2.971 -5.113 367 HG2 ARG 53 1HG ARG 53 -1.382 5.088 -5.949 368 HG3 ARG 53 2HG ARG 53 -1.917 4.581 -7.553 369 HD2 ARG 53 1HD ARG 53 -3.800 5.646 -6.787 370 HD3 ARG 53 2HD ARG 53 -4.132 3.987 -6.288 371 HE ARG 53 HE ARG 53 -2.977 4.909 -4.099 372 HH11 ARG 53 2HH1 ARG 53 -5.351 6.416 -6.151 373 HH12 ARG 53 1HH1 ARG 53 -6.065 7.338 -4.869 374 HH21 ARG 53 2HH2 ARG 53 -3.908 6.116 -2.403 375 HH22 ARG 53 1HH2 ARG 53 -5.242 7.167 -2.737 376 H ASN 54 H ASN 54 -0.945 3.897 -9.025 377 HA ASN 54 HA ASN 54 -2.889 2.452 -10.520 378 HB2 ASN 54 1HB ASN 54 -1.057 4.644 -11.512 379 HB3 ASN 54 2HB ASN 54 -2.594 4.147 -12.215 380 HD21 ASN 54 1HD2 ASN 54 -2.031 6.766 -11.499 381 HD22 ASN 54 2HD2 ASN 54 -3.057 7.218 -10.184 382 H ARG 55 H ARG 55 0.592 3.027 -11.002 383 HA ARG 55 HA ARG 55 0.890 1.510 -13.327 384 HB2 ARG 55 1HB ARG 55 2.578 3.089 -12.334 385 HB3 ARG 55 2HB ARG 55 2.965 1.839 -11.159 386 HG2 ARG 55 1HG ARG 55 4.603 1.663 -12.824 387 HG3 ARG 55 2HG ARG 55 3.478 0.339 -13.136 388 HD2 ARG 55 1HD ARG 55 2.324 2.063 -14.713 389 HD3 ARG 55 2HD ARG 55 3.882 2.885 -14.649 390 HE ARG 55 HE ARG 55 4.029 0.079 -15.301 391 HH11 ARG 55 2HH1 ARG 55 3.721 3.323 -16.525 392 HH12 ARG 55 1HH1 ARG 55 4.318 2.924 -18.102 393 HH21 ARG 55 2HH2 ARG 55 4.816 -0.459 -17.373 394 HH22 ARG 55 1HH2 ARG 55 4.940 0.773 -18.583 395 H THR 56 H THR 56 1.125 0.565 -9.924 396 HA THR 56 HA THR 56 1.983 -2.078 -10.331 397 HB THR 56 HB THR 56 0.334 -0.942 -8.065 398 HG1 THR 56 1HG THR 56 2.246 0.038 -7.880 399 HG21 THR 56 1HG2 THR 56 0.542 -3.562 -8.547 400 HG22 THR 56 2HG2 THR 56 0.552 -2.896 -6.914 401 HG23 THR 56 3HG2 THR 56 2.071 -3.319 -7.703 402 H LEU 57 H LEU 57 -1.256 -0.669 -10.144 403 HA LEU 57 HA LEU 57 -2.628 -3.162 -10.294 404 HB2 LEU 57 1HB LEU 57 -3.389 -0.291 -10.523 405 HB3 LEU 57 2HB LEU 57 -4.527 -1.518 -11.074 406 HG LEU 57 HG LEU 57 -3.371 -1.559 -8.301 407 HD11 LEU 57 1HD1 LEU 57 -4.379 0.492 -8.163 408 HD12 LEU 57 2HD1 LEU 57 -5.743 -0.561 -7.790 409 HD13 LEU 57 3HD1 LEU 57 -5.570 0.116 -9.409 410 HD21 LEU 57 1HD2 LEU 57 -4.381 -3.611 -8.855 411 HD22 LEU 57 2HD2 LEU 57 -5.731 -2.821 -9.671 412 HD23 LEU 57 3HD2 LEU 57 -5.590 -2.736 -7.914 413 H GLN 58 H GLN 58 -1.754 -0.680 -12.662 414 HA GLN 58 HA GLN 58 -3.095 -1.639 -14.881 415 HB2 GLN 58 1HB GLN 58 -0.545 -0.120 -14.515 416 HB3 GLN 58 2HB GLN 58 -0.978 -0.691 -16.121 417 HG2 GLN 58 1HG GLN 58 -2.893 0.905 -14.462 418 HG3 GLN 58 2HG GLN 58 -1.658 1.679 -15.454 419 HE21 GLN 58 1HE2 GLN 58 -1.585 0.612 -17.752 420 HE22 GLN 58 2HE2 GLN 58 -3.121 0.506 -18.535 421 H LEU 59 H LEU 59 0.336 -2.290 -14.138 422 HA LEU 59 HA LEU 59 0.827 -4.193 -16.054 423 HB2 LEU 59 1HB LEU 59 1.884 -4.214 -13.231 424 HB3 LEU 59 2HB LEU 59 2.607 -5.023 -14.619 425 HG LEU 59 HG LEU 59 2.256 -2.053 -14.641 426 HD11 LEU 59 1HD1 LEU 59 3.377 -2.807 -12.491 427 HD12 LEU 59 2HD1 LEU 59 4.277 -1.679 -13.504 428 HD13 LEU 59 3HD1 LEU 59 4.694 -3.392 -13.508 429 HD21 LEU 59 1HD2 LEU 59 2.940 -3.358 -16.666 430 HD22 LEU 59 2HD2 LEU 59 4.407 -3.815 -15.799 431 HD23 LEU 59 3HD2 LEU 59 4.089 -2.118 -16.162 432 H TRP 60 H TRP 60 -0.994 -4.514 -13.112 433 HA TRP 60 HA TRP 60 -1.025 -7.395 -13.153 434 HB2 TRP 60 1HB TRP 60 -1.313 -6.691 -10.988 435 HB3 TRP 60 2HB TRP 60 -2.223 -5.259 -11.461 436 HD1 TRP 60 HD TRP 60 -4.835 -5.435 -11.491 437 HE1 TRP 60 1HE TRP 60 -6.502 -7.269 -10.800 438 HE3 TRP 60 3HE TRP 60 -1.572 -9.333 -10.944 439 HZ2 TRP 60 2HZ TRP 60 -6.442 -10.007 -10.112 440 HZ3 TRP 60 3HZ TRP 60 -2.458 -11.526 -10.266 441 HH2 TRP 60 HH TRP 60 -4.843 -11.854 -9.859 442 H LEU 61 H LEU 61 -3.151 -4.781 -14.171 443 HA LEU 61 HA LEU 61 -5.331 -6.512 -14.858 444 HB2 LEU 61 1HB LEU 61 -4.708 -3.620 -15.172 445 HB3 LEU 61 2HB LEU 61 -5.964 -4.320 -16.192 446 HG LEU 61 HG LEU 61 -5.974 -4.412 -13.177 447 HD11 LEU 61 1HD1 LEU 61 -8.054 -2.801 -14.067 448 HD12 LEU 61 2HD1 LEU 61 -6.654 -2.283 -15.006 449 HD13 LEU 61 3HD1 LEU 61 -6.584 -2.278 -13.244 450 HD21 LEU 61 1HD2 LEU 61 -7.880 -5.592 -13.306 451 HD22 LEU 61 2HD2 LEU 61 -7.301 -6.023 -14.915 452 HD23 LEU 61 3HD2 LEU 61 -8.456 -4.704 -14.717 453 H ASP 62 H ASP 62 -2.491 -5.330 -16.450 454 HA ASP 62 HA ASP 62 -3.444 -6.056 -19.095 455 HB2 ASP 62 1HB ASP 62 -1.919 -4.069 -18.589 456 HB3 ASP 62 2HB ASP 62 -0.633 -5.251 -18.360 457 H ASN 63 H ASN 63 -1.429 -7.350 -16.561 458 HA ASN 63 HA ASN 63 -1.123 -9.813 -18.135 459 HB2 ASN 63 1HB ASN 63 0.990 -8.231 -17.852 460 HB3 ASN 63 2HB ASN 63 1.080 -9.022 -16.281 461 HD21 ASN 63 1HD2 ASN 63 0.681 -11.506 -16.514 462 HD22 ASN 63 2HD2 ASN 63 1.647 -12.272 -17.725 463 HA PRO 64 HA PRO 64 -2.742 -10.354 -13.718 464 HB2 PRO 64 1HB PRO 64 -5.233 -11.209 -14.379 465 HB3 PRO 64 2HB PRO 64 -4.838 -9.505 -14.125 466 HG2 PRO 64 1HG PRO 64 -5.100 -11.027 -16.689 467 HG3 PRO 64 2HG PRO 64 -5.694 -9.406 -16.285 468 HD2 PRO 64 1HD PRO 64 -3.435 -9.814 -17.721 469 HD3 PRO 64 2HD PRO 64 -3.634 -8.429 -16.629 470 H LYS 65 H LYS 65 -2.089 -12.108 -16.484 471 HA LYS 65 HA LYS 65 -3.046 -14.678 -15.713 472 HB2 LYS 65 1HB LYS 65 -1.505 -15.508 -17.487 473 HB3 LYS 65 2HB LYS 65 -2.598 -14.245 -18.038 474 HG2 LYS 65 1HG LYS 65 -0.929 -12.755 -18.383 475 HG3 LYS 65 2HG LYS 65 0.055 -13.381 -17.059 476 HD2 LYS 65 1HD LYS 65 1.300 -14.130 -18.815 477 HD3 LYS 65 2HD LYS 65 0.188 -15.492 -18.667 478 HE2 LYS 65 1HE LYS 65 -1.275 -14.105 -20.325 479 HE3 LYS 65 2HE LYS 65 0.247 -13.297 -20.694 480 HZ1 LYS 65 1HZ LYS 65 -0.487 -16.123 -21.108 481 HZ2 LYS 65 2HZ LYS 65 1.137 -15.666 -20.993 482 HZ3 LYS 65 3HZ LYS 65 0.162 -15.020 -22.215 483 H ILE 66 H ILE 66 -0.627 -12.760 -14.469 484 HA ILE 66 HA ILE 66 0.550 -15.051 -13.086 485 HB ILE 66 HB ILE 66 2.808 -14.349 -13.415 486 HG12 ILE 66 1HG1 ILE 66 1.677 -12.022 -14.985 487 HG13 ILE 66 2HG1 ILE 66 2.440 -11.925 -13.402 488 HG21 ILE 66 1HG2 ILE 66 3.114 -14.976 -15.626 489 HG22 ILE 66 2HG2 ILE 66 1.515 -15.620 -15.257 490 HG23 ILE 66 3HG2 ILE 66 1.672 -14.121 -16.173 491 HD11 ILE 66 1HD1 ILE 66 4.513 -12.030 -14.254 492 HD12 ILE 66 2HD1 ILE 66 4.055 -13.176 -15.515 493 HD13 ILE 66 3HD1 ILE 66 3.713 -11.458 -15.718 494 H GLN 67 H GLN 67 1.482 -14.550 -11.059 495 HA GLN 67 HA GLN 67 0.178 -12.469 -9.652 496 HB2 GLN 67 1HB GLN 67 1.235 -13.290 -7.728 497 HB3 GLN 67 2HB GLN 67 1.044 -14.708 -8.750 498 HG2 GLN 67 1HG GLN 67 3.553 -13.109 -8.312 499 HG3 GLN 67 2HG GLN 67 3.219 -14.750 -7.761 500 HE21 GLN 67 1HE2 GLN 67 4.779 -12.976 -10.035 501 HE22 GLN 67 2HE2 GLN 67 4.923 -14.162 -11.283 502 H LEU 68 H LEU 68 0.995 -10.580 -8.735 503 HA LEU 68 HA LEU 68 3.401 -9.537 -10.064 504 HB2 LEU 68 1HB LEU 68 1.149 -8.402 -10.353 505 HB3 LEU 68 2HB LEU 68 1.284 -7.927 -8.662 506 HG LEU 68 HG LEU 68 3.423 -6.751 -9.273 507 HD11 LEU 68 1HD1 LEU 68 3.432 -6.133 -11.790 508 HD12 LEU 68 2HD1 LEU 68 2.533 -7.637 -11.985 509 HD13 LEU 68 3HD1 LEU 68 4.145 -7.661 -11.270 510 HD21 LEU 68 1HD2 LEU 68 1.751 -5.194 -10.906 511 HD22 LEU 68 2HD2 LEU 68 2.050 -5.011 -9.177 512 HD23 LEU 68 3HD2 LEU 68 0.698 -5.996 -9.740 513 H THR 69 H THR 69 5.111 -9.900 -8.783 514 HA THR 69 HA THR 69 4.910 -9.744 -5.905 515 HB THR 69 HB THR 69 7.238 -10.392 -5.854 516 HG1 THR 69 1HG THR 69 8.228 -9.340 -7.488 517 HG21 THR 69 1HG2 THR 69 5.802 -11.910 -8.036 518 HG22 THR 69 2HG2 THR 69 5.574 -12.154 -6.305 519 HG23 THR 69 3HG2 THR 69 7.133 -12.511 -7.049 520 H PHE 70 H PHE 70 6.773 -8.521 -4.765 521 HA PHE 70 HA PHE 70 6.391 -5.759 -5.236 522 HB2 PHE 70 1HB PHE 70 6.837 -6.207 -3.011 523 HB3 PHE 70 2HB PHE 70 8.095 -7.379 -3.391 524 HD1 PHE 70 2HD PHE 70 7.315 -3.793 -3.128 525 HD2 PHE 70 1HD PHE 70 10.362 -6.720 -3.645 526 HE1 PHE 70 2HE PHE 70 9.030 -2.074 -2.730 527 HE2 PHE 70 1HE PHE 70 12.082 -5.006 -3.247 528 HZ PHE 70 HZ PHE 70 11.416 -2.679 -2.790 529 H GLU 71 H GLU 71 9.035 -7.981 -5.966 530 HA GLU 71 HA GLU 71 10.942 -6.121 -6.798 531 HB2 GLU 71 1HB GLU 71 10.431 -9.000 -7.451 532 HB3 GLU 71 2HB GLU 71 11.674 -8.117 -8.325 533 HG2 GLU 71 1HG GLU 71 11.609 -8.182 -5.331 534 HG3 GLU 71 2HG GLU 71 12.374 -9.461 -6.274 535 H ALA 72 H ALA 72 8.917 -8.121 -8.951 536 HA ALA 72 HA ALA 72 9.432 -6.929 -11.340 537 HB1 ALA 72 1HB ALA 72 7.553 -8.734 -10.402 538 HB2 ALA 72 2HB ALA 72 6.590 -7.432 -11.101 539 HB3 ALA 72 3HB ALA 72 7.804 -8.254 -12.081 540 H THR 73 H THR 73 6.807 -5.944 -9.134 541 HA THR 73 HA THR 73 5.858 -3.774 -10.555 542 HB THR 73 HB THR 73 6.063 -3.960 -7.544 543 HG1 THR 73 1HG THR 73 4.939 -5.739 -8.233 544 HG21 THR 73 1HG2 THR 73 3.925 -2.580 -7.724 545 HG22 THR 73 2HG2 THR 73 4.393 -2.278 -9.398 546 HG23 THR 73 3HG2 THR 73 5.439 -1.750 -8.080 547 H LEU 74 H LEU 74 8.574 -3.926 -8.298 548 HA LEU 74 HA LEU 74 9.111 -1.143 -8.284 549 HB2 LEU 74 1HB LEU 74 9.991 -2.362 -6.493 550 HB3 LEU 74 2HB LEU 74 10.696 -3.580 -7.554 551 HG LEU 74 HG LEU 74 12.234 -1.659 -8.351 552 HD11 LEU 74 1HD1 LEU 74 11.515 0.300 -7.460 553 HD12 LEU 74 2HD1 LEU 74 12.602 -0.195 -6.163 554 HD13 LEU 74 3HD1 LEU 74 10.866 -0.466 -6.010 555 HD21 LEU 74 1HD2 LEU 74 12.348 -3.463 -6.087 556 HD22 LEU 74 2HD2 LEU 74 13.363 -2.040 -5.850 557 HD23 LEU 74 3HD2 LEU 74 13.590 -3.058 -7.273 558 H GLN 75 H GLN 75 10.781 -3.831 -9.933 559 HA GLN 75 HA GLN 75 12.617 -2.381 -11.382 560 HB2 GLN 75 1HB GLN 75 11.126 -4.884 -12.181 561 HB3 GLN 75 2HB GLN 75 12.520 -4.252 -13.047 562 HG2 GLN 75 1HG GLN 75 13.633 -4.368 -10.668 563 HG3 GLN 75 2HG GLN 75 12.372 -5.568 -10.389 564 HE21 GLN 75 1HE2 GLN 75 15.080 -4.717 -12.460 565 HE22 GLN 75 2HE2 GLN 75 15.441 -6.330 -12.964 566 H GLN 76 H GLN 76 9.339 -3.307 -12.426 567 HA GLN 76 HA GLN 76 9.389 -2.033 -14.910 568 HB2 GLN 76 1HB GLN 76 7.068 -2.600 -13.060 569 HB3 GLN 76 2HB GLN 76 6.890 -2.044 -14.719 570 HG2 GLN 76 1HG GLN 76 7.538 -4.043 -15.611 571 HG3 GLN 76 2HG GLN 76 8.517 -4.476 -14.210 572 HE21 GLN 76 1HE2 GLN 76 6.800 -4.254 -12.151 573 HE22 GLN 76 2HE2 GLN 76 5.494 -5.371 -12.322 574 H LEU 77 H LEU 77 8.520 -0.811 -11.715 575 HA LEU 77 HA LEU 77 7.445 1.648 -12.440 576 HB2 LEU 77 1HB LEU 77 8.739 0.529 -10.032 577 HB3 LEU 77 2HB LEU 77 8.677 2.287 -10.138 578 HG LEU 77 HG LEU 77 6.214 0.592 -10.441 579 HD11 LEU 77 1HD1 LEU 77 6.239 1.750 -7.888 580 HD12 LEU 77 2HD1 LEU 77 7.796 0.946 -8.077 581 HD13 LEU 77 3HD1 LEU 77 6.302 0.036 -8.297 582 HD21 LEU 77 1HD2 LEU 77 5.498 2.940 -9.289 583 HD22 LEU 77 2HD2 LEU 77 5.481 2.634 -11.026 584 HD23 LEU 77 3HD2 LEU 77 6.858 3.454 -10.288 585 H GLU 78 H GLU 78 8.463 3.809 -12.115 586 HA GLU 78 HA GLU 78 11.308 3.866 -12.824 587 HB2 GLU 78 1HB GLU 78 10.869 5.591 -14.535 588 HB3 GLU 78 2HB GLU 78 10.126 4.048 -14.934 589 HG2 GLU 78 1HG GLU 78 7.967 4.863 -14.209 590 HG3 GLU 78 2HG GLU 78 8.689 6.391 -13.706 591 H ALA 79 H ALA 79 12.377 5.183 -11.517 592 HA ALA 79 HA ALA 79 11.423 6.595 -9.418 593 HB1 ALA 79 1HB ALA 79 13.492 8.140 -9.842 594 HB2 ALA 79 2HB ALA 79 13.715 6.439 -9.431 595 HB3 ALA 79 3HB ALA 79 13.851 6.966 -11.109 596 HA PRO 80 HA PRO 80 12.246 8.630 -8.360 597 HB2 PRO 80 1HB PRO 80 10.519 10.108 -6.876 598 HB3 PRO 80 2HB PRO 80 11.816 10.826 -7.838 599 HG2 PRO 80 1HG PRO 80 8.907 10.547 -8.488 600 HG3 PRO 80 2HG PRO 80 9.981 11.935 -8.739 601 HD2 PRO 80 1HD PRO 80 9.313 10.231 -10.734 602 HD3 PRO 80 2HD PRO 80 10.889 11.045 -10.661 603 H TYR 81 H TYR 81 9.368 7.493 -9.567 604 HA TYR 81 HA TYR 81 7.933 6.604 -7.359 605 HB2 TYR 81 1HB TYR 81 8.238 5.028 -9.913 606 HB3 TYR 81 2HB TYR 81 6.854 5.067 -8.827 607 HD1 TYR 81 1HD TYR 81 6.855 8.122 -8.462 608 HD2 TYR 81 2HD TYR 81 7.067 5.632 -11.905 609 HE1 TYR 81 1HE TYR 81 5.843 9.912 -9.811 610 HE2 TYR 81 2HE TYR 81 6.057 7.415 -13.264 611 HH TYR 81 HH TYR 81 4.882 10.399 -11.801 612 H ASN 82 H ASN 82 10.400 4.827 -9.223 613 HA ASN 82 HA ASN 82 10.485 2.695 -7.292 614 HB2 ASN 82 1HB ASN 82 12.166 1.708 -8.716 615 HB3 ASN 82 2HB ASN 82 10.876 2.343 -9.733 616 HD21 ASN 82 1HD2 ASN 82 12.167 2.535 -11.532 617 HD22 ASN 82 2HD2 ASN 82 13.413 3.725 -11.666 618 H SER 83 H SER 83 12.131 5.681 -7.803 619 HA SER 83 HA SER 83 14.608 5.323 -6.701 620 HB2 SER 83 1HB SER 83 12.681 7.604 -6.696 621 HB3 SER 83 2HB SER 83 14.109 7.719 -5.668 622 HG SER 83 HG SER 83 15.117 6.922 -7.848 623 H ASP 84 H ASP 84 11.549 5.772 -4.973 624 HA ASP 84 HA ASP 84 12.927 5.198 -2.443 625 HB2 ASP 84 1HB ASP 84 10.092 6.182 -2.790 626 HB3 ASP 84 2HB ASP 84 11.055 6.177 -1.315 627 H THR 85 H THR 85 13.114 2.957 -2.689 628 HA THR 85 HA THR 85 11.128 1.180 -3.463 629 HB THR 85 HB THR 85 12.362 -0.492 -1.975 630 HG1 THR 85 1HG THR 85 14.407 1.415 -1.770 631 HG21 THR 85 1HG2 THR 85 13.200 -0.758 -4.048 632 HG22 THR 85 2HG2 THR 85 14.594 0.122 -3.421 633 HG23 THR 85 3HG2 THR 85 13.341 0.978 -4.318 634 H VAL 86 H VAL 86 11.972 2.222 -0.161 635 HA VAL 86 HA VAL 86 10.329 0.824 1.419 636 HB VAL 86 HB VAL 86 11.703 2.671 2.255 637 HG11 VAL 86 1HG1 VAL 86 11.076 4.274 0.446 638 HG12 VAL 86 2HG1 VAL 86 9.536 4.519 1.271 639 HG13 VAL 86 3HG1 VAL 86 11.045 4.962 2.069 640 HG21 VAL 86 1HG2 VAL 86 10.152 3.500 3.969 641 HG22 VAL 86 2HG2 VAL 86 8.793 2.900 3.020 642 HG23 VAL 86 3HG2 VAL 86 9.964 1.768 3.696 643 H LEU 87 H LEU 87 9.250 3.689 -0.405 644 HA LEU 87 HA LEU 87 6.552 3.554 0.350 645 HB2 LEU 87 1HB LEU 87 7.802 5.453 -0.797 646 HB3 LEU 87 2HB LEU 87 7.531 4.576 -2.302 647 HG LEU 87 HG LEU 87 5.079 4.744 -1.880 648 HD11 LEU 87 1HD1 LEU 87 4.254 6.279 -0.219 649 HD12 LEU 87 2HD1 LEU 87 5.896 6.663 0.296 650 HD13 LEU 87 3HD1 LEU 87 5.242 5.048 0.568 651 HD21 LEU 87 1HD2 LEU 87 5.597 6.326 -3.404 652 HD22 LEU 87 2HD2 LEU 87 6.901 6.999 -2.426 653 HD23 LEU 87 3HD2 LEU 87 5.225 7.422 -2.073 654 H VAL 88 H VAL 88 8.128 2.409 -2.637 655 HA VAL 88 HA VAL 88 5.906 1.262 -3.842 656 HB VAL 88 HB VAL 88 8.765 0.292 -3.983 657 HG11 VAL 88 1HG1 VAL 88 6.837 -1.223 -4.802 658 HG12 VAL 88 2HG1 VAL 88 6.705 -0.063 -6.126 659 HG13 VAL 88 3HG1 VAL 88 8.213 -0.942 -5.869 660 HG21 VAL 88 1HG2 VAL 88 7.269 2.239 -5.736 661 HG22 VAL 88 2HG2 VAL 88 8.533 2.653 -4.577 662 HG23 VAL 88 3HG2 VAL 88 8.920 1.674 -5.992 663 H HIS 89 H HIS 89 7.969 0.034 -1.293 664 HA HIS 89 HA HIS 89 6.959 -2.644 -1.393 665 HB2 HIS 89 1HB HIS 89 9.209 -1.918 -0.453 666 HB3 HIS 89 2HB HIS 89 8.328 -1.333 0.956 667 HD1 HIS 89 1HD HIS 89 6.702 -3.355 2.031 668 HD2 HIS 89 2HD HIS 89 10.077 -4.448 -0.130 669 HE1 HIS 89 1HE HIS 89 7.209 -5.718 2.726 670 HE2 HIS 89 2HE HIS 89 9.305 -6.329 1.469 671 H ARG 90 H ARG 90 6.069 0.304 0.239 672 HA ARG 90 HA ARG 90 4.296 -0.985 2.107 673 HB2 ARG 90 1HB ARG 90 4.693 1.915 1.361 674 HB3 ARG 90 2HB ARG 90 3.579 1.368 2.607 675 HG2 ARG 90 1HG ARG 90 5.372 0.519 3.936 676 HG3 ARG 90 2HG ARG 90 6.535 0.810 2.640 677 HD2 ARG 90 1HD ARG 90 4.918 3.022 3.876 678 HD3 ARG 90 2HD ARG 90 6.463 2.501 4.547 679 HE ARG 90 HE ARG 90 7.132 2.964 2.010 680 HH11 ARG 90 2HH1 ARG 90 5.243 4.848 4.248 681 HH12 ARG 90 1HH1 ARG 90 5.690 6.368 3.547 682 HH21 ARG 90 2HH2 ARG 90 7.727 4.959 1.079 683 HH22 ARG 90 1HH2 ARG 90 7.103 6.430 1.744 684 H VAL 91 H VAL 91 3.924 0.970 -0.835 685 HA VAL 91 HA VAL 91 1.116 0.969 -0.901 686 HB VAL 91 HB VAL 91 3.114 1.194 -3.153 687 HG11 VAL 91 1HG1 VAL 91 0.960 2.386 -4.164 688 HG12 VAL 91 2HG1 VAL 91 1.283 0.666 -4.395 689 HG13 VAL 91 3HG1 VAL 91 0.149 1.193 -3.150 690 HG21 VAL 91 1HG2 VAL 91 3.453 3.120 -2.001 691 HG22 VAL 91 2HG2 VAL 91 2.042 3.630 -2.929 692 HG23 VAL 91 3HG2 VAL 91 1.853 3.091 -1.260 693 H HIS 92 H HIS 92 3.374 -1.019 -2.824 694 HA HIS 92 HA HIS 92 1.557 -2.673 -4.054 695 HB2 HIS 92 1HB HIS 92 3.948 -2.699 -4.574 696 HB3 HIS 92 2HB HIS 92 4.295 -3.422 -3.006 697 HD1 HIS 92 1HD HIS 92 3.425 -5.915 -2.665 698 HD2 HIS 92 2HD HIS 92 3.282 -4.472 -6.558 699 HE1 HIS 92 1HE HIS 92 3.148 -7.945 -4.124 700 HE2 HIS 92 2HE HIS 92 3.150 -7.054 -6.480 701 H SER 93 H SER 93 2.497 -2.619 -0.730 702 HA SER 93 HA SER 93 1.592 -5.267 -0.101 703 HB2 SER 93 1HB SER 93 2.605 -2.923 1.430 704 HB3 SER 93 2HB SER 93 1.628 -4.100 2.307 705 HG SER 93 HG SER 93 3.100 -5.717 1.449 706 H TYR 94 H TYR 94 0.365 -2.076 0.925 707 HA TYR 94 HA TYR 94 -2.015 -2.827 2.022 708 HB2 TYR 94 1HB TYR 94 -1.659 -0.572 2.255 709 HB3 TYR 94 2HB TYR 94 -1.102 -0.377 0.597 710 HD1 TYR 94 2HD TYR 94 -2.923 -0.638 -1.253 711 HD2 TYR 94 1HD TYR 94 -3.788 0.147 2.839 712 HE1 TYR 94 2HE TYR 94 -5.128 0.242 -1.894 713 HE2 TYR 94 1HE TYR 94 -5.996 1.028 2.209 714 HH TYR 94 HH TYR 94 -7.608 0.541 -0.003 715 H LEU 95 H LEU 95 -1.210 -2.620 -1.377 716 HA LEU 95 HA LEU 95 -3.889 -2.881 -2.332 717 HB2 LEU 95 1HB LEU 95 -1.219 -3.304 -3.656 718 HB3 LEU 95 2HB LEU 95 -2.760 -3.425 -4.502 719 HG LEU 95 HG LEU 95 -1.904 -0.917 -3.081 720 HD11 LEU 95 1HD1 LEU 95 -1.206 -0.093 -5.315 721 HD12 LEU 95 2HD1 LEU 95 -1.356 -1.739 -5.928 722 HD13 LEU 95 3HD1 LEU 95 -0.170 -1.370 -4.677 723 HD21 LEU 95 1HD2 LEU 95 -3.962 -1.590 -5.171 724 HD22 LEU 95 2HD2 LEU 95 -3.475 0.063 -4.793 725 HD23 LEU 95 3HD2 LEU 95 -4.225 -0.942 -3.551 726 H GLU 96 H GLU 96 -1.130 -5.147 -2.406 727 HA GLU 96 HA GLU 96 -2.640 -7.386 -3.175 728 HB2 GLU 96 1HB GLU 96 -0.230 -7.346 -3.435 729 HB3 GLU 96 2HB GLU 96 -0.011 -7.220 -1.696 730 HG2 GLU 96 1HG GLU 96 -0.709 -9.430 -1.337 731 HG3 GLU 96 2HG GLU 96 -1.393 -9.563 -2.956 732 H ARG 97 H ARG 97 -1.268 -6.655 0.039 733 HA ARG 97 HA ARG 97 -2.350 -8.658 1.519 734 HB2 ARG 97 1HB ARG 97 -2.110 -5.753 2.318 735 HB3 ARG 97 2HB ARG 97 -2.369 -7.081 3.441 736 HG2 ARG 97 1HG ARG 97 -0.231 -8.045 2.846 737 HG3 ARG 97 2HG ARG 97 0.022 -6.786 1.635 738 HD2 ARG 97 1HD ARG 97 0.157 -5.097 3.314 739 HD3 ARG 97 2HD ARG 97 -0.373 -6.219 4.566 740 HE ARG 97 HE ARG 97 2.284 -5.972 3.455 741 HH11 ARG 97 2HH1 ARG 97 0.060 -7.945 5.267 742 HH12 ARG 97 1HH1 ARG 97 1.305 -8.868 6.040 743 HH21 ARG 97 2HH2 ARG 97 3.933 -7.181 4.467 744 HH22 ARG 97 1HH2 ARG 97 3.508 -8.432 5.585 745 H HIS 98 H HIS 98 -3.961 -5.587 0.730 746 HA HIS 98 HA HIS 98 -6.372 -6.130 2.068 747 HB2 HIS 98 1HB HIS 98 -5.670 -4.308 -0.226 748 HB3 HIS 98 2HB HIS 98 -7.313 -4.416 0.399 749 HD1 HIS 98 1HD HIS 98 -7.532 -2.188 1.520 750 HD2 HIS 98 2HD HIS 98 -4.076 -4.201 2.645 751 HE1 HIS 98 1HE HIS 98 -6.540 -0.829 3.389 752 HE2 HIS 98 2HE HIS 98 -4.406 -2.020 3.996 753 H GLY 99 H GLY 99 -5.258 -6.901 -1.183 754 HA2 GLY 99 1HA GLY 99 -6.079 -8.943 -2.208 755 HA3 GLY 99 2HA GLY 99 -7.648 -8.603 -1.494 756 H LEU 100 H LEU 100 -5.612 -6.239 -3.118 757 HA LEU 100 HA LEU 100 -7.766 -5.821 -5.058 758 HB2 LEU 100 1HB LEU 100 -5.358 -4.070 -4.674 759 HB3 LEU 100 2HB LEU 100 -6.907 -3.656 -5.406 760 HG LEU 100 HG LEU 100 -6.106 -3.725 -2.552 761 HD11 LEU 100 1HD1 LEU 100 -6.315 -1.587 -3.500 762 HD12 LEU 100 2HD1 LEU 100 -7.792 -1.824 -2.566 763 HD13 LEU 100 3HD1 LEU 100 -7.820 -2.005 -4.320 764 HD21 LEU 100 1HD2 LEU 100 -8.729 -3.742 -2.176 765 HD22 LEU 100 2HD2 LEU 100 -7.773 -5.223 -2.147 766 HD23 LEU 100 3HD2 LEU 100 -8.675 -4.784 -3.598 767 H ILE 101 H ILE 101 -4.614 -7.109 -4.793 768 HA ILE 101 HA ILE 101 -4.543 -7.514 -7.694 769 HB ILE 101 HB ILE 101 -2.125 -7.074 -7.766 770 HG12 ILE 101 1HG1 ILE 101 -2.333 -5.748 -5.080 771 HG13 ILE 101 2HG1 ILE 101 -1.948 -7.462 -5.194 772 HG21 ILE 101 1HG2 ILE 101 -4.211 -5.152 -7.495 773 HG22 ILE 101 2HG2 ILE 101 -2.727 -4.482 -6.818 774 HG23 ILE 101 3HG2 ILE 101 -2.751 -5.070 -8.481 775 HD11 ILE 101 1HD1 ILE 101 -0.111 -5.506 -5.165 776 HD12 ILE 101 2HD1 ILE 101 0.135 -7.074 -5.934 777 HD13 ILE 101 3HD1 ILE 101 -0.349 -5.683 -6.903 778 H ASN 102 H ASN 102 -3.630 -9.438 -8.354 779 HA ASN 102 HA ASN 102 -2.882 -11.585 -8.226 780 HB2 ASN 102 1HB ASN 102 -1.823 -10.850 -5.490 781 HB3 ASN 102 2HB ASN 102 -1.314 -12.206 -6.492 782 HD21 ASN 102 1HD2 ASN 102 0.778 -11.077 -5.954 783 HD22 ASN 102 2HD2 ASN 102 1.324 -9.882 -7.077 784 H PHE 103 H PHE 103 -5.461 -11.407 -7.820 785 HA PHE 103 HA PHE 103 -6.001 -13.128 -5.490 786 HB2 PHE 103 1HB PHE 103 -8.365 -12.168 -5.641 787 HB3 PHE 103 2HB PHE 103 -7.113 -11.096 -5.023 788 HD1 PHE 103 1HD PHE 103 -8.328 -12.056 -8.422 789 HD2 PHE 103 2HD PHE 103 -7.406 -8.928 -5.686 790 HE1 PHE 103 1HE PHE 103 -8.917 -10.390 -10.134 791 HE2 PHE 103 2HE PHE 103 -7.994 -7.257 -7.393 792 HZ PHE 103 HZ PHE 103 -8.751 -7.987 -9.620 793 H GLY 104 H GLY 104 -5.225 -13.953 -8.161 794 HA2 GLY 104 1HA GLY 104 -7.473 -15.736 -8.675 795 HA3 GLY 104 2HA GLY 104 -6.993 -14.691 -10.004 796 H ILE 105 H ILE 105 -4.548 -14.758 -10.459 797 HA ILE 105 HA ILE 105 -3.759 -17.044 -11.580 798 HB ILE 105 HB ILE 105 -1.442 -16.403 -11.355 799 HG12 ILE 105 1HG1 ILE 105 -1.591 -15.915 -8.887 800 HG13 ILE 105 2HG1 ILE 105 -0.657 -14.747 -9.814 801 HG21 ILE 105 1HG2 ILE 105 -2.005 -14.900 -12.896 802 HG22 ILE 105 2HG2 ILE 105 -3.536 -14.554 -12.094 803 HG23 ILE 105 3HG2 ILE 105 -2.070 -13.710 -11.596 804 HD11 ILE 105 1HD1 ILE 105 -3.115 -13.615 -9.879 805 HD12 ILE 105 2HD1 ILE 105 -3.137 -14.406 -8.302 806 HD13 ILE 105 3HD1 ILE 105 -1.867 -13.245 -8.689 807 H TYR 106 H TYR 106 -3.604 -16.371 -8.141 808 HA TYR 106 HA TYR 106 -3.085 -19.212 -7.661 809 HB2 TYR 106 1HB TYR 106 -1.381 -18.788 -6.032 810 HB3 TYR 106 2HB TYR 106 -0.927 -17.932 -7.501 811 HD1 TYR 106 1HD TYR 106 -2.809 -17.326 -4.327 812 HD2 TYR 106 2HD TYR 106 -0.198 -15.752 -7.295 813 HE1 TYR 106 1HE TYR 106 -2.616 -15.237 -3.042 814 HE2 TYR 106 2HE TYR 106 0.003 -13.660 -6.017 815 HH TYR 106 HH TYR 106 -1.399 -12.409 -4.303 816 H LYS 107 H LYS 107 -4.090 -20.049 -5.877 817 HA LYS 107 HA LYS 107 -6.214 -18.462 -4.744 818 HB2 LYS 107 1HB LYS 107 -6.308 -20.949 -5.414 819 HB3 LYS 107 2HB LYS 107 -5.475 -21.253 -3.894 820 HG2 LYS 107 1HG LYS 107 -7.286 -20.650 -2.621 821 HG3 LYS 107 2HG LYS 107 -7.962 -19.613 -3.880 822 HD2 LYS 107 1HD LYS 107 -7.794 -22.601 -4.175 823 HD3 LYS 107 2HD LYS 107 -9.173 -21.804 -3.414 824 HE2 LYS 107 1HE LYS 107 -8.215 -20.958 -6.124 825 HE3 LYS 107 2HE LYS 107 -9.271 -22.358 -5.941 826 HZ1 LYS 107 1HZ LYS 107 -9.854 -19.528 -5.560 827 HZ2 LYS 107 2HZ LYS 107 -10.607 -20.604 -4.495 828 HZ3 LYS 107 3HZ LYS 107 -10.839 -20.764 -6.163 829 H ARG 108 H ARG 108 -5.330 -16.928 -3.404 830 HA ARG 108 HA ARG 108 -3.261 -16.923 -1.719 831 HB2 ARG 108 1HB ARG 108 -4.936 -15.092 -1.946 832 HB3 ARG 108 2HB ARG 108 -6.012 -15.990 -0.883 833 HG2 ARG 108 1HG ARG 108 -5.028 -14.473 0.549 834 HG3 ARG 108 2HG ARG 108 -4.044 -15.918 0.787 835 HD2 ARG 108 1HD ARG 108 -2.296 -15.059 -0.562 836 HD3 ARG 108 2HD ARG 108 -3.313 -13.752 -1.167 837 HE ARG 108 HE ARG 108 -2.858 -13.746 1.690 838 HH11 ARG 108 2HH1 ARG 108 -1.826 -12.598 -1.430 839 HH12 ARG 108 1HH1 ARG 108 -0.985 -11.224 -0.792 840 HH21 ARG 108 2HH2 ARG 108 -1.755 -11.941 2.543 841 HH22 ARG 108 1HH2 ARG 108 -0.945 -10.852 1.468 842 H ILE 109 H ILE 109 -2.659 -17.714 0.261 843 HA ILE 109 HA ILE 109 -3.290 -20.226 1.052 844 HB ILE 109 HB ILE 109 -2.543 -17.956 2.899 845 HG12 ILE 109 1HG1 ILE 109 -0.682 -20.042 1.794 846 HG13 ILE 109 2HG1 ILE 109 -1.055 -18.593 0.866 847 HG21 ILE 109 1HG2 ILE 109 -1.565 -19.881 4.256 848 HG22 ILE 109 2HG2 ILE 109 -3.315 -19.676 4.292 849 HG23 ILE 109 3HG2 ILE 109 -2.596 -20.932 3.286 850 HD11 ILE 109 1HD1 ILE 109 -0.378 -17.787 3.492 851 HD12 ILE 109 2HD1 ILE 109 0.842 -18.933 2.937 852 HD13 ILE 109 3HD1 ILE 109 0.491 -17.490 1.987 853 H LYS 110 H LYS 110 -4.875 -17.257 2.167 854 HA LYS 110 HA LYS 110 -7.131 -18.906 3.085 855 HB2 LYS 110 1HB LYS 110 -5.983 -18.248 5.086 856 HB3 LYS 110 2HB LYS 110 -5.851 -16.585 4.530 857 HG2 LYS 110 1HG LYS 110 -8.240 -16.289 4.728 858 HG3 LYS 110 2HG LYS 110 -8.438 -17.985 5.177 859 HD2 LYS 110 1HD LYS 110 -8.483 -16.872 7.224 860 HD3 LYS 110 2HD LYS 110 -6.816 -17.439 7.104 861 HE2 LYS 110 1HE LYS 110 -6.720 -15.190 7.849 862 HE3 LYS 110 2HE LYS 110 -6.233 -15.182 6.155 863 HZ1 LYS 110 1HZ LYS 110 -7.705 -13.428 6.286 864 HZ2 LYS 110 2HZ LYS 110 -8.742 -14.219 7.362 865 HZ3 LYS 110 3HZ LYS 110 -8.706 -14.676 5.734 866 HA PRO 111 HA PRO 111 -9.411 -16.201 0.429 867 HB2 PRO 111 1HB PRO 111 -11.896 -16.943 1.231 868 HB3 PRO 111 2HB PRO 111 -10.884 -17.947 0.186 869 HG2 PRO 111 1HG PRO 111 -11.340 -18.145 3.138 870 HG3 PRO 111 2HG PRO 111 -11.274 -19.439 1.927 871 HD2 PRO 111 1HD PRO 111 -9.185 -18.852 3.547 872 HD3 PRO 111 2HD PRO 111 -8.970 -19.462 1.893 873 H LEU 112 H LEU 112 -11.342 -14.660 0.681 874 HA LEU 112 HA LEU 112 -11.898 -13.580 3.259 875 HB2 LEU 112 1HB LEU 112 -10.718 -11.572 3.213 876 HB3 LEU 112 2HB LEU 112 -9.539 -12.786 2.721 877 HG LEU 112 HG LEU 112 -10.308 -12.029 0.302 878 HD11 LEU 112 1HD1 LEU 112 -11.060 -9.754 2.101 879 HD12 LEU 112 2HD1 LEU 112 -11.969 -10.466 0.769 880 HD13 LEU 112 3HD1 LEU 112 -10.547 -9.478 0.436 881 HD21 LEU 112 1HD2 LEU 112 -8.032 -11.942 1.090 882 HD22 LEU 112 2HD2 LEU 112 -8.390 -10.528 2.082 883 HD23 LEU 112 3HD2 LEU 112 -8.439 -10.408 0.322 884 HA PRO 113 HA PRO 113 -15.373 -12.032 1.063 885 HB2 PRO 113 1HB PRO 113 -16.095 -9.958 2.659 886 HB3 PRO 113 2HB PRO 113 -16.337 -11.649 3.113 887 HG2 PRO 113 1HG PRO 113 -14.162 -9.761 3.930 888 HG3 PRO 113 2HG PRO 113 -15.065 -10.923 4.920 889 HD2 PRO 113 1HD PRO 113 -12.572 -11.428 3.994 890 HD3 PRO 113 2HD PRO 113 -13.782 -12.706 4.223 891 H THR 114 H THR 114 -14.896 -11.132 -0.869 892 HA THR 114 HA THR 114 -13.331 -8.732 -1.108 893 HB THR 114 HB THR 114 -13.231 -10.493 -2.832 894 HG1 THR 114 1HG THR 114 -14.355 -8.285 -4.154 895 HG21 THR 114 1HG2 THR 114 -15.329 -10.207 -4.488 896 HG22 THR 114 2HG2 THR 114 -16.136 -9.945 -2.942 897 HG23 THR 114 3HG2 THR 114 -15.252 -11.443 -3.233 898 H LYS 115 H LYS 115 -15.383 -8.072 0.510 899 HA LYS 115 HA LYS 115 -17.782 -7.208 -0.420 900 HB2 LYS 115 1HB LYS 115 -16.807 -6.942 1.916 901 HB3 LYS 115 2HB LYS 115 -16.048 -5.467 1.330 902 HG2 LYS 115 1HG LYS 115 -18.444 -4.800 0.623 903 HG3 LYS 115 2HG LYS 115 -18.946 -6.061 1.751 904 HD2 LYS 115 1HD LYS 115 -17.077 -3.815 2.489 905 HD3 LYS 115 2HD LYS 115 -18.826 -3.741 2.716 906 HE2 LYS 115 1HE LYS 115 -17.329 -6.078 3.801 907 HE3 LYS 115 2HE LYS 115 -17.232 -4.537 4.653 908 HZ1 LYS 115 1HZ LYS 115 -19.702 -4.524 4.671 909 HZ2 LYS 115 2HZ LYS 115 -19.018 -5.780 5.573 910 HZ3 LYS 115 3HZ LYS 115 -19.682 -6.098 4.050 911 H LYS 116 H LYS 116 -14.805 -5.244 -0.503 912 HA LYS 116 HA LYS 116 -14.149 -3.532 -1.849 913 HB2 LYS 116 1HB LYS 116 -14.736 -5.395 -3.556 914 HB3 LYS 116 2HB LYS 116 -16.162 -4.423 -3.893 915 HG2 LYS 116 1HG LYS 116 -14.722 -3.646 -5.487 916 HG3 LYS 116 2HG LYS 116 -14.414 -2.498 -4.182 917 HD2 LYS 116 1HD LYS 116 -12.409 -3.593 -3.566 918 HD3 LYS 116 2HD LYS 116 -12.791 -5.005 -4.554 919 HE2 LYS 116 1HE LYS 116 -12.443 -2.286 -5.775 920 HE3 LYS 116 2HE LYS 116 -11.059 -3.327 -5.443 921 HZ1 LYS 116 1HZ LYS 116 -11.770 -4.896 -6.970 922 HZ2 LYS 116 2HZ LYS 116 -12.144 -3.438 -7.742 923 HZ3 LYS 116 3HZ LYS 116 -13.365 -4.332 -6.984 924 H THR 117 H THR 117 -16.056 -2.889 0.046 925 HA THR 117 HA THR 117 -17.581 -0.794 -1.354 926 HB THR 117 HB THR 117 -18.556 -2.222 1.123 927 HG1 THR 117 1HG THR 117 -18.698 -2.929 -1.523 928 HG21 THR 117 1HG2 THR 117 -20.497 -0.887 -0.586 929 HG22 THR 117 2HG2 THR 117 -19.278 0.220 0.045 930 HG23 THR 117 3HG2 THR 117 -20.245 -0.753 1.153 931 H GLY 118 H GLY 118 -16.888 1.153 -0.778 932 HA2 GLY 118 1HA GLY 118 -16.765 2.117 1.828 933 HA3 GLY 118 2HA GLY 118 -15.140 1.595 1.409 934 H SER 119 H SER 119 -17.718 3.253 -0.409 935 HA SER 119 HA SER 119 -15.753 5.352 -1.056 936 HB2 SER 119 1HB SER 119 -16.653 3.836 -2.940 937 HB3 SER 119 2HB SER 119 -18.165 4.722 -2.746 938 HG SER 119 HG SER 119 -17.124 5.911 -4.209 939 H GLY 120 H GLY 120 -16.425 7.509 -1.050 940 HA2 GLY 120 1HA GLY 120 -19.091 8.015 0.108 941 HA3 GLY 120 2HA GLY 120 -17.656 8.763 0.794 942 HA PRO 121 HA PRO 121 -19.587 11.296 -2.750 943 HB2 PRO 121 1HB PRO 121 -20.799 13.214 -1.258 944 HB3 PRO 121 2HB PRO 121 -21.617 11.731 -1.766 945 HG2 PRO 121 1HG PRO 121 -20.349 12.389 0.865 946 HG3 PRO 121 2HG PRO 121 -21.891 11.577 0.538 947 HD2 PRO 121 1HD PRO 121 -19.644 10.222 1.205 948 HD3 PRO 121 2HD PRO 121 -20.879 9.548 0.122 949 H SER 122 H SER 122 -18.203 12.718 -3.591 950 HA SER 122 HA SER 122 -16.260 14.014 -1.843 951 HB2 SER 122 1HB SER 122 -16.403 13.411 -4.768 952 HB3 SER 122 2HB SER 122 -15.378 14.741 -4.230 953 HG SER 122 HG SER 122 -14.129 13.351 -3.120 954 H SER 123 H SER 123 -16.169 16.153 -1.462 955 HA SER 123 HA SER 123 -18.047 17.890 -2.923 956 HB2 SER 123 1HB SER 123 -17.626 17.566 0.017 957 HB3 SER 123 2HB SER 123 -18.018 19.170 -0.600 958 HG SER 123 HG SER 123 -19.933 18.407 -1.374 959 H GLY 124 H GLY 124 -17.474 20.240 -2.727 960 HA2 GLY 124 1HA GLY 124 -15.101 21.308 -1.892 961 HA3 GLY 124 2HA GLY 124 -14.714 20.578 -3.443 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -23.279 15.732 -29.312 2 HA2 GLY 1 1HA GLY 1 -24.508 15.489 -26.871 3 HA3 GLY 1 2HA GLY 1 -23.335 14.181 -26.904 4 H SER 2 H SER 2 -23.581 16.767 -25.339 5 HA SER 2 HA SER 2 -20.785 17.562 -25.685 6 HB2 SER 2 1HB SER 2 -23.166 19.405 -25.729 7 HB3 SER 2 2HB SER 2 -21.575 19.978 -25.228 8 HG SER 2 HG SER 2 -21.660 20.333 -27.386 9 H SER 3 H SER 3 -19.752 18.205 -23.809 10 HA SER 3 HA SER 3 -19.298 18.176 -21.579 11 HB2 SER 3 1HB SER 3 -22.089 19.320 -21.593 12 HB3 SER 3 2HB SER 3 -21.164 19.132 -20.102 13 HG SER 3 HG SER 3 -20.977 21.220 -21.192 14 H GLY 4 H GLY 4 -19.937 15.704 -22.581 15 HA2 GLY 4 1HA GLY 4 -20.654 14.296 -20.220 16 HA3 GLY 4 2HA GLY 4 -21.983 14.276 -21.369 17 H SER 5 H SER 5 -18.697 13.246 -20.756 18 HA SER 5 HA SER 5 -18.202 11.955 -23.203 19 HB2 SER 5 1HB SER 5 -16.518 12.488 -21.374 20 HB3 SER 5 2HB SER 5 -17.123 11.067 -20.523 21 HG SER 5 HG SER 5 -15.224 10.896 -22.071 22 H SER 6 H SER 6 -18.656 9.953 -23.967 23 HA SER 6 HA SER 6 -20.135 8.108 -22.220 24 HB2 SER 6 1HB SER 6 -20.958 9.170 -24.906 25 HB3 SER 6 2HB SER 6 -21.485 7.569 -24.387 26 HG SER 6 HG SER 6 -21.842 9.901 -22.820 27 H GLY 7 H GLY 7 -18.303 6.805 -22.018 28 HA2 GLY 7 1HA GLY 7 -18.001 4.659 -23.671 29 HA3 GLY 7 2HA GLY 7 -16.891 5.848 -24.335 30 H GLU 8 H GLU 8 -17.787 4.667 -21.087 31 HA GLU 8 HA GLU 8 -15.445 5.192 -19.772 32 HB2 GLU 8 1HB GLU 8 -17.514 3.058 -19.466 33 HB3 GLU 8 2HB GLU 8 -16.046 2.956 -18.504 34 HG2 GLU 8 1HG GLU 8 -16.490 5.024 -17.441 35 HG3 GLU 8 2HG GLU 8 -17.792 5.398 -18.568 36 H GLU 9 H GLU 9 -13.416 4.686 -20.226 37 HA GLU 9 HA GLU 9 -12.710 1.954 -20.897 38 HB2 GLU 9 1HB GLU 9 -12.225 4.270 -22.765 39 HB3 GLU 9 2HB GLU 9 -11.281 2.788 -22.836 40 HG2 GLU 9 1HG GLU 9 -13.559 1.606 -23.030 41 HG3 GLU 9 2HG GLU 9 -14.179 3.205 -23.440 42 HA PRO 10 HA PRO 10 -9.203 2.908 -18.429 43 HB2 PRO 10 1HB PRO 10 -7.434 1.081 -19.377 44 HB3 PRO 10 2HB PRO 10 -8.810 0.646 -18.356 45 HG2 PRO 10 1HG PRO 10 -8.529 0.466 -21.331 46 HG3 PRO 10 2HG PRO 10 -9.232 -0.705 -20.201 47 HD2 PRO 10 1HD PRO 10 -10.747 0.970 -21.693 48 HD3 PRO 10 2HD PRO 10 -11.234 0.430 -20.074 49 H SER 11 H SER 11 -8.854 5.025 -19.366 50 HA SER 11 HA SER 11 -7.099 5.269 -21.646 51 HB2 SER 11 1HB SER 11 -8.204 7.354 -19.750 52 HB3 SER 11 2HB SER 11 -7.273 7.709 -21.205 53 HG SER 11 HG SER 11 -9.028 6.309 -22.223 54 H GLY 12 H GLY 12 -5.080 4.527 -21.227 55 HA2 GLY 12 1HA GLY 12 -2.908 4.670 -20.475 56 HA3 GLY 12 2HA GLY 12 -3.358 6.141 -19.625 57 H VAL 13 H VAL 13 -1.957 5.375 -17.918 58 HA VAL 13 HA VAL 13 -2.458 2.968 -16.511 59 HB VAL 13 HB VAL 13 -1.099 5.491 -15.551 60 HG11 VAL 13 1HG1 VAL 13 -0.161 3.084 -14.316 61 HG12 VAL 13 2HG1 VAL 13 -0.847 4.527 -13.566 62 HG13 VAL 13 3HG1 VAL 13 -1.906 3.220 -14.100 63 HG21 VAL 13 1HG2 VAL 13 -0.270 4.001 -17.604 64 HG22 VAL 13 2HG2 VAL 13 0.846 4.757 -16.467 65 HG23 VAL 13 3HG2 VAL 13 0.419 3.055 -16.285 66 H GLU 14 H GLU 14 -3.237 6.354 -15.699 67 HA GLU 14 HA GLU 14 -4.532 6.119 -13.350 68 HB2 GLU 14 1HB GLU 14 -5.552 7.725 -15.700 69 HB3 GLU 14 2HB GLU 14 -5.971 7.994 -14.014 70 HG2 GLU 14 1HG GLU 14 -3.839 8.777 -13.484 71 HG3 GLU 14 2HG GLU 14 -3.127 8.095 -14.945 72 H GLY 15 H GLY 15 -6.032 5.501 -16.520 73 HA2 GLY 15 1HA GLY 15 -8.594 4.970 -15.995 74 HA3 GLY 15 2HA GLY 15 -7.651 3.907 -17.029 75 H ALA 16 H ALA 16 -5.993 2.653 -15.267 76 HA ALA 16 HA ALA 16 -7.355 0.503 -14.355 77 HB1 ALA 16 1HB ALA 16 -5.382 0.832 -12.414 78 HB2 ALA 16 2HB ALA 16 -5.245 -0.050 -13.935 79 HB3 ALA 16 3HB ALA 16 -4.756 1.642 -13.850 80 H ALA 17 H ALA 17 -6.494 3.286 -12.292 81 HA ALA 17 HA ALA 17 -7.520 2.698 -9.908 82 HB1 ALA 17 1HB ALA 17 -8.069 5.277 -11.372 83 HB2 ALA 17 2HB ALA 17 -8.188 5.042 -9.628 84 HB3 ALA 17 3HB ALA 17 -6.626 4.896 -10.432 85 H PHE 18 H PHE 18 -9.444 3.319 -12.781 86 HA PHE 18 HA PHE 18 -11.960 3.686 -11.836 87 HB2 PHE 18 1HB PHE 18 -11.755 3.638 -14.168 88 HB3 PHE 18 2HB PHE 18 -10.953 2.071 -14.160 89 HD1 PHE 18 1HD PHE 18 -12.255 0.015 -13.827 90 HD2 PHE 18 2HD PHE 18 -14.128 3.820 -14.181 91 HE1 PHE 18 1HE PHE 18 -14.409 -1.090 -14.270 92 HE2 PHE 18 2HE PHE 18 -16.284 2.722 -14.624 93 HZ PHE 18 HZ PHE 18 -16.427 0.264 -14.668 94 H GLN 19 H GLN 19 -10.536 0.465 -12.413 95 HA GLN 19 HA GLN 19 -12.471 -1.195 -11.559 96 HB2 GLN 19 1HB GLN 19 -10.811 -2.788 -10.972 97 HB3 GLN 19 2HB GLN 19 -10.124 -1.813 -12.264 98 HG2 GLN 19 1HG GLN 19 -8.680 -0.693 -10.816 99 HG3 GLN 19 2HG GLN 19 -9.589 -1.184 -9.387 100 HE21 GLN 19 1HE2 GLN 19 -9.433 -3.356 -8.679 101 HE22 GLN 19 2HE2 GLN 19 -8.061 -4.323 -9.086 102 H SER 20 H SER 20 -10.540 0.899 -9.522 103 HA SER 20 HA SER 20 -11.976 -0.091 -7.153 104 HB2 SER 20 1HB SER 20 -9.318 1.261 -7.516 105 HB3 SER 20 2HB SER 20 -10.146 1.336 -5.961 106 HG SER 20 HG SER 20 -8.607 -0.493 -6.438 107 H ARG 21 H ARG 21 -13.337 1.197 -6.054 108 HA ARG 21 HA ARG 21 -14.126 3.690 -7.238 109 HB2 ARG 21 1HB ARG 21 -15.060 2.150 -4.823 110 HB3 ARG 21 2HB ARG 21 -15.707 3.735 -5.228 111 HG2 ARG 21 1HG ARG 21 -17.248 2.431 -6.262 112 HG3 ARG 21 2HG ARG 21 -16.081 2.581 -7.577 113 HD2 ARG 21 1HD ARG 21 -16.389 0.316 -7.579 114 HD3 ARG 21 2HD ARG 21 -15.044 0.440 -6.446 115 HE ARG 21 HE ARG 21 -17.396 0.599 -4.969 116 HH11 ARG 21 2HH1 ARG 21 -15.726 -1.703 -6.977 117 HH12 ARG 21 1HH1 ARG 21 -16.358 -3.085 -6.144 118 HH21 ARG 21 2HH2 ARG 21 -18.234 -1.211 -3.864 119 HH22 ARG 21 1HH2 ARG 21 -17.785 -2.804 -4.374 120 H LEU 22 H LEU 22 -12.102 4.839 -6.968 121 HA LEU 22 HA LEU 22 -12.119 6.490 -4.644 122 HB2 LEU 22 1HB LEU 22 -10.009 5.937 -3.709 123 HB3 LEU 22 2HB LEU 22 -10.949 4.451 -3.818 124 HG LEU 22 HG LEU 22 -9.591 4.239 -6.104 125 HD11 LEU 22 1HD1 LEU 22 -7.237 5.097 -4.747 126 HD12 LEU 22 2HD1 LEU 22 -8.363 6.450 -4.851 127 HD13 LEU 22 3HD1 LEU 22 -7.861 5.605 -6.316 128 HD21 LEU 22 1HD2 LEU 22 -8.464 3.542 -3.394 129 HD22 LEU 22 2HD2 LEU 22 -8.046 2.780 -4.929 130 HD23 LEU 22 3HD2 LEU 22 -9.674 2.605 -4.271 131 HA PRO 23 HA PRO 23 -10.314 9.270 -7.529 132 HB2 PRO 23 1HB PRO 23 -9.156 11.043 -5.831 133 HB3 PRO 23 2HB PRO 23 -10.904 10.948 -6.076 134 HG2 PRO 23 1HG PRO 23 -9.235 9.803 -3.870 135 HG3 PRO 23 2HG PRO 23 -10.799 10.634 -3.774 136 HD2 PRO 23 1HD PRO 23 -10.572 7.938 -3.662 137 HD3 PRO 23 2HD PRO 23 -11.979 8.749 -4.379 138 H HIS 24 H HIS 24 -8.401 9.683 -8.576 139 HA HIS 24 HA HIS 24 -6.072 8.202 -7.603 140 HB2 HIS 24 1HB HIS 24 -6.342 7.544 -9.783 141 HB3 HIS 24 2HB HIS 24 -7.041 9.083 -10.275 142 HD1 HIS 24 1HD HIS 24 -3.606 8.160 -8.901 143 HD2 HIS 24 2HD HIS 24 -5.365 10.181 -12.075 144 HE1 HIS 24 1HE HIS 24 -1.696 9.080 -10.253 145 HE2 HIS 24 2HE HIS 24 -2.786 10.371 -12.121 146 H ASP 25 H ASP 25 -7.196 11.423 -8.207 147 HA ASP 25 HA ASP 25 -4.580 12.629 -8.151 148 HB2 ASP 25 1HB ASP 25 -6.373 13.685 -9.428 149 HB3 ASP 25 2HB ASP 25 -7.336 13.862 -7.964 150 H ARG 26 H ARG 26 -7.006 11.745 -5.854 151 HA ARG 26 HA ARG 26 -5.373 12.943 -3.719 152 HB2 ARG 26 1HB ARG 26 -7.587 13.204 -2.458 153 HB3 ARG 26 2HB ARG 26 -7.253 14.350 -3.749 154 HG2 ARG 26 1HG ARG 26 -8.640 12.880 -5.255 155 HG3 ARG 26 2HG ARG 26 -9.129 12.005 -3.802 156 HD2 ARG 26 1HD ARG 26 -9.669 14.449 -2.950 157 HD3 ARG 26 2HD ARG 26 -9.794 14.768 -4.680 158 HE ARG 26 HE ARG 26 -11.285 12.469 -3.801 159 HH11 ARG 26 2HH1 ARG 26 -11.328 15.920 -4.260 160 HH12 ARG 26 1HH1 ARG 26 -13.054 16.013 -4.379 161 HH21 ARG 26 2HH2 ARG 26 -13.558 12.579 -3.955 162 HH22 ARG 26 1HH2 ARG 26 -14.322 14.113 -4.204 163 H MET 27 H MET 27 -5.832 11.915 -1.558 164 HA MET 27 HA MET 27 -6.031 9.013 -1.934 165 HB2 MET 27 1HB MET 27 -4.963 10.535 0.449 166 HB3 MET 27 2HB MET 27 -4.839 8.804 0.166 167 HG2 MET 27 1HG MET 27 -3.263 9.066 -1.523 168 HG3 MET 27 2HG MET 27 -3.664 10.765 -1.761 169 HE1 MET 27 1HE MET 27 -1.796 9.256 2.112 170 HE2 MET 27 2HE MET 27 -3.038 8.478 1.131 171 HE3 MET 27 3HE MET 27 -1.338 8.320 0.689 172 H THR 28 H THR 28 -7.096 7.750 -0.228 173 HA THR 28 HA THR 28 -9.516 9.130 0.710 174 HB THR 28 HB THR 28 -10.499 6.849 0.912 175 HG1 THR 28 1HG THR 28 -8.064 6.030 0.776 176 HG21 THR 28 1HG2 THR 28 -9.686 8.163 -1.577 177 HG22 THR 28 2HG2 THR 28 -11.269 7.569 -1.074 178 HG23 THR 28 3HG2 THR 28 -10.088 6.457 -1.766 179 H SER 29 H SER 29 -10.397 8.527 2.798 180 HA SER 29 HA SER 29 -8.890 8.946 4.954 181 HB2 SER 29 1HB SER 29 -11.146 6.935 4.787 182 HB3 SER 29 2HB SER 29 -10.490 7.573 6.294 183 HG SER 29 HG SER 29 -11.948 9.063 5.986 184 H GLN 30 H GLN 30 -9.328 5.746 3.486 185 HA GLN 30 HA GLN 30 -7.772 4.304 5.326 186 HB2 GLN 30 1HB GLN 30 -9.363 3.457 3.466 187 HB3 GLN 30 2HB GLN 30 -7.954 3.569 2.419 188 HG2 GLN 30 1HG GLN 30 -6.897 1.820 3.413 189 HG3 GLN 30 2HG GLN 30 -7.654 2.107 4.979 190 HE21 GLN 30 1HE2 GLN 30 -9.337 1.865 1.915 191 HE22 GLN 30 2HE2 GLN 30 -10.181 0.402 2.277 192 H GLU 31 H GLU 31 -6.853 5.250 2.008 193 HA GLU 31 HA GLU 31 -4.189 4.611 2.108 194 HB2 GLU 31 1HB GLU 31 -5.477 6.962 0.712 195 HB3 GLU 31 2HB GLU 31 -3.847 6.386 0.392 196 HG2 GLU 31 1HG GLU 31 -6.439 4.958 -0.121 197 HG3 GLU 31 2HG GLU 31 -5.253 5.514 -1.301 198 H ALA 32 H ALA 32 -5.711 7.637 3.155 199 HA ALA 32 HA ALA 32 -3.375 9.026 3.830 200 HB1 ALA 32 1HB ALA 32 -5.984 9.333 5.289 201 HB2 ALA 32 2HB ALA 32 -4.755 10.557 4.962 202 HB3 ALA 32 3HB ALA 32 -5.744 9.926 3.645 203 H ALA 33 H ALA 33 -5.330 6.737 5.664 204 HA ALA 33 HA ALA 33 -3.988 7.122 8.143 205 HB1 ALA 33 1HB ALA 33 -5.709 5.924 8.859 206 HB2 ALA 33 2HB ALA 33 -6.188 5.606 7.192 207 HB3 ALA 33 3HB ALA 33 -5.083 4.506 8.017 208 H CYS 34 H CYS 34 -3.654 4.757 5.522 209 HA CYS 34 HA CYS 34 -1.647 3.208 6.779 210 HB2 CYS 34 1HB CYS 34 -3.169 2.743 4.665 211 HB3 CYS 34 2HB CYS 34 -1.789 3.410 3.802 212 HG CYS 34 HG CYS 34 -1.775 0.561 3.791 213 H PHE 35 H PHE 35 -1.491 5.807 4.362 214 HA PHE 35 HA PHE 35 1.392 6.038 4.921 215 HB2 PHE 35 1HB PHE 35 -0.032 7.032 2.450 216 HB3 PHE 35 2HB PHE 35 1.705 6.907 2.708 217 HD1 PHE 35 2HD PHE 35 -1.380 4.854 2.453 218 HD2 PHE 35 1HD PHE 35 2.854 5.005 2.044 219 HE1 PHE 35 2HE PHE 35 -1.399 2.604 1.459 220 HE2 PHE 35 1HE PHE 35 2.842 2.755 1.049 221 HZ PHE 35 HZ PHE 35 0.714 1.550 0.756 222 HA PRO 36 HA PRO 36 -0.433 9.832 6.738 223 HB2 PRO 36 1HB PRO 36 1.441 10.044 8.691 224 HB3 PRO 36 2HB PRO 36 0.011 9.017 8.841 225 HG2 PRO 36 1HG PRO 36 2.812 8.266 8.101 226 HG3 PRO 36 2HG PRO 36 1.681 7.438 9.187 227 HD2 PRO 36 1HD PRO 36 2.117 6.625 6.641 228 HD3 PRO 36 2HD PRO 36 0.546 6.439 7.447 229 H ASP 37 H ASP 37 3.025 9.131 6.254 230 HA ASP 37 HA ASP 37 3.922 11.773 6.108 231 HB2 ASP 37 1HB ASP 37 5.065 9.413 4.603 232 HB3 ASP 37 2HB ASP 37 5.913 10.889 5.056 233 H ILE 38 H ILE 38 2.637 9.636 3.610 234 HA ILE 38 HA ILE 38 3.179 11.305 1.403 235 HB ILE 38 HB ILE 38 0.972 9.267 1.725 236 HG12 ILE 38 1HG1 ILE 38 3.092 8.197 2.059 237 HG13 ILE 38 2HG1 ILE 38 2.567 7.816 0.423 238 HG21 ILE 38 1HG2 ILE 38 0.480 9.463 -0.482 239 HG22 ILE 38 2HG2 ILE 38 1.031 11.112 -0.195 240 HG23 ILE 38 3HG2 ILE 38 2.122 9.932 -0.921 241 HD11 ILE 38 1HD1 ILE 38 4.788 8.317 0.124 242 HD12 ILE 38 2HD1 ILE 38 4.018 9.863 -0.233 243 HD13 ILE 38 3HD1 ILE 38 4.774 9.596 1.337 244 H ILE 39 H ILE 39 0.147 10.810 3.217 245 HA ILE 39 HA ILE 39 -1.327 12.797 1.891 246 HB ILE 39 HB ILE 39 -2.399 11.072 3.252 247 HG12 ILE 39 1HG1 ILE 39 -3.915 12.647 4.602 248 HG13 ILE 39 2HG1 ILE 39 -2.886 13.948 4.013 249 HG21 ILE 39 1HG2 ILE 39 -1.125 12.520 5.567 250 HG22 ILE 39 2HG2 ILE 39 -2.398 11.310 5.729 251 HG23 ILE 39 3HG2 ILE 39 -0.833 10.858 5.053 252 HD11 ILE 39 1HD1 ILE 39 -3.430 13.298 1.708 253 HD12 ILE 39 2HD1 ILE 39 -4.512 12.054 2.335 254 HD13 ILE 39 3HD1 ILE 39 -4.854 13.757 2.642 255 H SER 40 H SER 40 0.860 12.940 4.624 256 HA SER 40 HA SER 40 0.242 15.768 5.047 257 HB2 SER 40 1HB SER 40 0.461 14.130 6.981 258 HB3 SER 40 2HB SER 40 2.188 14.081 6.626 259 HG SER 40 HG SER 40 2.041 15.680 8.071 260 H GLY 41 H GLY 41 1.564 14.947 2.624 261 HA2 GLY 41 1HA GLY 41 4.156 16.312 3.016 262 HA3 GLY 41 2HA GLY 41 3.969 14.955 1.915 263 HA PRO 42 HA PRO 42 3.379 19.027 -0.344 264 HB2 PRO 42 1HB PRO 42 5.389 18.661 -2.131 265 HB3 PRO 42 2HB PRO 42 5.629 19.436 -0.560 266 HG2 PRO 42 1HG PRO 42 6.195 16.615 -1.386 267 HG3 PRO 42 2HG PRO 42 7.182 17.712 -0.403 268 HD2 PRO 42 1HD PRO 42 5.641 15.768 0.684 269 HD3 PRO 42 2HD PRO 42 5.950 17.312 1.504 270 H GLN 43 H GLN 43 2.340 19.240 -2.309 271 HA GLN 43 HA GLN 43 0.740 17.360 -3.326 272 HB2 GLN 43 1HB GLN 43 0.848 19.736 -4.081 273 HB3 GLN 43 2HB GLN 43 2.228 19.315 -5.086 274 HG2 GLN 43 1HG GLN 43 0.243 19.386 -6.433 275 HG3 GLN 43 2HG GLN 43 0.817 17.723 -6.319 276 HE21 GLN 43 1HE2 GLN 43 -1.136 16.778 -6.738 277 HE22 GLN 43 2HE2 GLN 43 -2.476 16.847 -5.650 278 H GLN 44 H GLN 44 4.064 17.893 -4.478 279 HA GLN 44 HA GLN 44 4.183 15.978 -6.455 280 HB2 GLN 44 1HB GLN 44 5.965 17.671 -5.721 281 HB3 GLN 44 2HB GLN 44 6.467 16.457 -4.552 282 HG2 GLN 44 1HG GLN 44 7.881 15.960 -6.257 283 HG3 GLN 44 2HG GLN 44 6.526 14.916 -6.683 284 HE21 GLN 44 1HE2 GLN 44 7.096 14.903 -8.853 285 HE22 GLN 44 2HE2 GLN 44 6.855 16.274 -9.877 286 H THR 45 H THR 45 5.270 15.499 -3.089 287 HA THR 45 HA THR 45 5.830 12.832 -3.134 288 HB THR 45 HB THR 45 4.466 14.353 -0.905 289 HG1 THR 45 1HG THR 45 7.189 13.614 -0.991 290 HG21 THR 45 1HG2 THR 45 4.518 12.527 0.388 291 HG22 THR 45 2HG2 THR 45 6.148 12.106 -0.141 292 HG23 THR 45 3HG2 THR 45 4.753 11.607 -1.097 293 H GLN 46 H GLN 46 2.636 14.219 -2.356 294 HA GLN 46 HA GLN 46 1.215 11.883 -2.028 295 HB2 GLN 46 1HB GLN 46 0.358 14.535 -3.179 296 HB3 GLN 46 2HB GLN 46 -0.773 13.228 -2.857 297 HG2 GLN 46 1HG GLN 46 -0.138 13.270 -0.493 298 HG3 GLN 46 2HG GLN 46 0.971 14.599 -0.824 299 HE21 GLN 46 1HE2 GLN 46 -0.850 15.027 1.055 300 HE22 GLN 46 2HE2 GLN 46 -2.100 16.081 0.498 301 H LYS 47 H LYS 47 1.736 13.679 -5.054 302 HA LYS 47 HA LYS 47 0.297 11.993 -6.747 303 HB2 LYS 47 1HB LYS 47 2.730 13.696 -7.302 304 HB3 LYS 47 2HB LYS 47 1.777 12.911 -8.555 305 HG2 LYS 47 1HG LYS 47 -0.213 14.182 -7.475 306 HG3 LYS 47 2HG LYS 47 1.052 15.200 -6.784 307 HD2 LYS 47 1HD LYS 47 1.114 14.592 -9.704 308 HD3 LYS 47 2HD LYS 47 -0.035 15.790 -9.101 309 HE2 LYS 47 1HE LYS 47 1.942 16.878 -7.938 310 HE3 LYS 47 2HE LYS 47 2.967 15.823 -8.909 311 HZ1 LYS 47 1HZ LYS 47 1.035 17.140 -10.522 312 HZ2 LYS 47 2HZ LYS 47 2.721 17.148 -10.653 313 HZ3 LYS 47 3HZ LYS 47 1.946 18.266 -9.648 314 H VAL 48 H VAL 48 3.745 11.925 -5.884 315 HA VAL 48 HA VAL 48 4.627 9.868 -7.473 316 HB VAL 48 HB VAL 48 5.406 10.389 -4.600 317 HG11 VAL 48 1HG1 VAL 48 6.300 8.413 -6.556 318 HG12 VAL 48 2HG1 VAL 48 7.610 9.376 -5.871 319 HG13 VAL 48 3HG1 VAL 48 6.534 8.467 -4.810 320 HG21 VAL 48 1HG2 VAL 48 6.703 12.078 -5.305 321 HG22 VAL 48 2HG2 VAL 48 7.199 11.219 -6.763 322 HG23 VAL 48 3HG2 VAL 48 5.660 12.079 -6.727 323 H PHE 49 H PHE 49 2.924 9.638 -4.379 324 HA PHE 49 HA PHE 49 3.044 6.772 -4.307 325 HB2 PHE 49 1HB PHE 49 2.861 7.581 -2.164 326 HB3 PHE 49 2HB PHE 49 1.808 8.909 -2.641 327 HD1 PHE 49 1HD PHE 49 -0.601 8.439 -3.122 328 HD2 PHE 49 2HD PHE 49 1.986 5.556 -1.359 329 HE1 PHE 49 1HE PHE 49 -2.557 7.171 -2.334 330 HE2 PHE 49 2HE PHE 49 0.034 4.283 -0.569 331 HZ PHE 49 HZ PHE 49 -2.241 5.090 -1.057 332 H LEU 50 H LEU 50 0.603 9.187 -5.151 333 HA LEU 50 HA LEU 50 -1.515 7.370 -5.588 334 HB2 LEU 50 1HB LEU 50 -0.959 10.180 -6.457 335 HB3 LEU 50 2HB LEU 50 -2.363 9.312 -7.076 336 HG LEU 50 HG LEU 50 -1.839 9.772 -4.143 337 HD11 LEU 50 1HD1 LEU 50 -3.306 11.616 -4.201 338 HD12 LEU 50 2HD1 LEU 50 -3.777 11.289 -5.868 339 HD13 LEU 50 3HD1 LEU 50 -2.153 11.876 -5.510 340 HD21 LEU 50 1HD2 LEU 50 -3.390 7.891 -5.151 341 HD22 LEU 50 2HD2 LEU 50 -4.511 9.241 -5.337 342 HD23 LEU 50 3HD2 LEU 50 -3.881 8.830 -3.740 343 H PHE 51 H PHE 51 1.333 7.841 -7.282 344 HA PHE 51 HA PHE 51 0.202 7.056 -9.861 345 HB2 PHE 51 1HB PHE 51 1.822 8.832 -9.983 346 HB3 PHE 51 2HB PHE 51 2.986 7.902 -9.045 347 HD1 PHE 51 1HD PHE 51 3.878 5.747 -10.065 348 HD2 PHE 51 2HD PHE 51 1.793 8.706 -12.304 349 HE1 PHE 51 1HE PHE 51 4.829 4.839 -12.145 350 HE2 PHE 51 2HE PHE 51 2.740 7.802 -14.387 351 HZ PHE 51 HZ PHE 51 4.260 5.866 -14.310 352 H ILE 52 H ILE 52 2.514 5.923 -7.431 353 HA ILE 52 HA ILE 52 3.352 3.590 -8.714 354 HB ILE 52 HB ILE 52 3.040 4.091 -5.752 355 HG12 ILE 52 1HG1 ILE 52 5.656 4.120 -7.187 356 HG13 ILE 52 2HG1 ILE 52 4.600 5.517 -7.361 357 HG21 ILE 52 1HG2 ILE 52 4.363 2.211 -5.328 358 HG22 ILE 52 2HG2 ILE 52 3.222 1.669 -6.557 359 HG23 ILE 52 3HG2 ILE 52 4.875 2.081 -7.010 360 HD11 ILE 52 1HD1 ILE 52 6.258 4.701 -5.129 361 HD12 ILE 52 2HD1 ILE 52 5.551 6.273 -5.505 362 HD13 ILE 52 3HD1 ILE 52 4.599 5.060 -4.650 363 H ARG 53 H ARG 53 0.551 4.195 -6.647 364 HA ARG 53 HA ARG 53 -0.321 1.569 -6.313 365 HB2 ARG 53 1HB ARG 53 -1.326 3.296 -5.009 366 HB3 ARG 53 2HB ARG 53 -1.842 4.169 -6.445 367 HG2 ARG 53 1HG ARG 53 -3.159 1.907 -6.880 368 HG3 ARG 53 2HG ARG 53 -3.043 1.810 -5.122 369 HD2 ARG 53 1HD ARG 53 -4.200 4.088 -6.724 370 HD3 ARG 53 2HD ARG 53 -5.105 2.909 -5.775 371 HE ARG 53 HE ARG 53 -3.528 3.960 -3.908 372 HH11 ARG 53 2HH1 ARG 53 -5.418 5.488 -6.401 373 HH12 ARG 53 1HH1 ARG 53 -5.695 6.933 -5.486 374 HH21 ARG 53 2HH2 ARG 53 -3.886 5.857 -2.694 375 HH22 ARG 53 1HH2 ARG 53 -4.822 7.142 -3.378 376 H ASN 54 H ASN 54 -1.389 3.944 -8.752 377 HA ASN 54 HA ASN 54 -3.120 2.370 -10.190 378 HB2 ASN 54 1HB ASN 54 -1.305 4.626 -10.971 379 HB3 ASN 54 2HB ASN 54 -2.234 3.786 -12.209 380 HD21 ASN 54 1HD2 ASN 54 -2.273 6.123 -9.756 381 HD22 ASN 54 2HD2 ASN 54 -3.958 6.501 -9.812 382 H ARG 55 H ARG 55 0.245 2.957 -11.221 383 HA ARG 55 HA ARG 55 0.480 1.114 -13.194 384 HB2 ARG 55 1HB ARG 55 2.397 2.201 -11.197 385 HB3 ARG 55 2HB ARG 55 2.918 0.812 -12.141 386 HG2 ARG 55 1HG ARG 55 1.728 3.133 -13.567 387 HG3 ARG 55 2HG ARG 55 3.376 3.264 -12.951 388 HD2 ARG 55 1HD ARG 55 3.595 0.893 -14.121 389 HD3 ARG 55 2HD ARG 55 2.275 1.534 -15.099 390 HE ARG 55 HE ARG 55 4.176 3.514 -15.054 391 HH11 ARG 55 2HH1 ARG 55 4.050 0.179 -16.042 392 HH12 ARG 55 1HH1 ARG 55 5.243 0.366 -17.284 393 HH21 ARG 55 2HH2 ARG 55 5.748 3.774 -16.686 394 HH22 ARG 55 1HH2 ARG 55 6.209 2.411 -17.649 395 H THR 56 H THR 56 1.241 0.437 -9.774 396 HA THR 56 HA THR 56 1.888 -2.185 -9.844 397 HB THR 56 HB THR 56 0.019 -0.927 -7.825 398 HG1 THR 56 1HG THR 56 1.795 0.150 -7.398 399 HG21 THR 56 1HG2 THR 56 0.288 -2.742 -6.462 400 HG22 THR 56 2HG2 THR 56 1.862 -3.157 -7.142 401 HG23 THR 56 3HG2 THR 56 0.387 -3.553 -8.025 402 H LEU 57 H LEU 57 -1.402 -0.881 -9.992 403 HA LEU 57 HA LEU 57 -2.602 -3.494 -10.146 404 HB2 LEU 57 1HB LEU 57 -3.591 -0.682 -10.280 405 HB3 LEU 57 2HB LEU 57 -4.629 -1.991 -10.840 406 HG LEU 57 HG LEU 57 -3.451 -1.851 -8.069 407 HD11 LEU 57 1HD1 LEU 57 -6.296 -1.232 -8.786 408 HD12 LEU 57 2HD1 LEU 57 -5.061 0.025 -8.717 409 HD13 LEU 57 3HD1 LEU 57 -5.440 -0.919 -7.276 410 HD21 LEU 57 1HD2 LEU 57 -5.023 -3.580 -7.540 411 HD22 LEU 57 2HD2 LEU 57 -4.092 -4.090 -8.948 412 HD23 LEU 57 3HD2 LEU 57 -5.739 -3.489 -9.149 413 H GLN 58 H GLN 58 -1.876 -0.863 -12.395 414 HA GLN 58 HA GLN 58 -3.154 -1.749 -14.665 415 HB2 GLN 58 1HB GLN 58 -0.648 -0.197 -14.191 416 HB3 GLN 58 2HB GLN 58 -1.011 -0.728 -15.828 417 HG2 GLN 58 1HG GLN 58 -2.935 0.843 -14.138 418 HG3 GLN 58 2HG GLN 58 -1.774 1.584 -15.238 419 HE21 GLN 58 1HE2 GLN 58 -1.864 0.731 -17.511 420 HE22 GLN 58 2HE2 GLN 58 -3.432 0.455 -18.181 421 H LEU 59 H LEU 59 0.291 -2.367 -13.965 422 HA LEU 59 HA LEU 59 0.787 -4.199 -15.953 423 HB2 LEU 59 1HB LEU 59 1.911 -4.355 -13.163 424 HB3 LEU 59 2HB LEU 59 2.642 -4.981 -14.640 425 HG LEU 59 HG LEU 59 2.129 -2.046 -14.319 426 HD11 LEU 59 1HD1 LEU 59 3.350 -2.581 -12.339 427 HD12 LEU 59 2HD1 LEU 59 4.475 -1.865 -13.492 428 HD13 LEU 59 3HD1 LEU 59 4.465 -3.610 -13.238 429 HD21 LEU 59 1HD2 LEU 59 4.025 -3.743 -15.928 430 HD22 LEU 59 2HD2 LEU 59 4.172 -1.990 -15.789 431 HD23 LEU 59 3HD2 LEU 59 2.731 -2.700 -16.519 432 H TRP 60 H TRP 60 -0.814 -4.696 -12.877 433 HA TRP 60 HA TRP 60 -0.807 -7.543 -12.983 434 HB2 TRP 60 1HB TRP 60 -1.166 -6.836 -10.827 435 HB3 TRP 60 2HB TRP 60 -2.150 -5.463 -11.327 436 HD1 TRP 60 HD TRP 60 -4.744 -5.786 -11.382 437 HE1 TRP 60 1HE TRP 60 -6.315 -7.713 -10.714 438 HE3 TRP 60 3HE TRP 60 -1.275 -9.496 -10.796 439 HZ2 TRP 60 2HZ TRP 60 -6.110 -10.443 -10.030 440 HZ3 TRP 60 3HZ TRP 60 -2.045 -11.737 -10.133 441 HH2 TRP 60 HH TRP 60 -4.413 -12.198 -9.758 442 H LEU 61 H LEU 61 -3.033 -5.036 -14.056 443 HA LEU 61 HA LEU 61 -5.162 -6.804 -14.725 444 HB2 LEU 61 1HB LEU 61 -4.509 -3.950 -15.209 445 HB3 LEU 61 2HB LEU 61 -5.702 -4.704 -16.265 446 HG LEU 61 HG LEU 61 -5.888 -4.533 -13.258 447 HD11 LEU 61 1HD1 LEU 61 -7.533 -2.848 -13.571 448 HD12 LEU 61 2HD1 LEU 61 -7.510 -3.061 -15.321 449 HD13 LEU 61 3HD1 LEU 61 -6.113 -2.367 -14.500 450 HD21 LEU 61 1HD2 LEU 61 -8.259 -5.236 -13.730 451 HD22 LEU 61 2HD2 LEU 61 -7.034 -6.481 -13.976 452 HD23 LEU 61 3HD2 LEU 61 -7.731 -5.643 -15.363 453 H ASP 62 H ASP 62 -2.173 -6.165 -16.161 454 HA ASP 62 HA ASP 62 -3.071 -6.892 -18.846 455 HB2 ASP 62 1HB ASP 62 -1.455 -5.014 -18.529 456 HB3 ASP 62 2HB ASP 62 -0.286 -6.177 -17.909 457 H ASN 63 H ASN 63 -1.106 -8.103 -16.191 458 HA ASN 63 HA ASN 63 -1.109 -10.741 -17.484 459 HB2 ASN 63 1HB ASN 63 1.162 -11.137 -17.030 460 HB3 ASN 63 2HB ASN 63 1.135 -9.484 -17.636 461 HD21 ASN 63 1HD2 ASN 63 3.075 -10.827 -15.923 462 HD22 ASN 63 2HD2 ASN 63 3.167 -9.885 -14.477 463 HA PRO 64 HA PRO 64 -2.523 -10.656 -12.973 464 HB2 PRO 64 1HB PRO 64 -5.089 -11.416 -13.425 465 HB3 PRO 64 2HB PRO 64 -4.579 -9.724 -13.398 466 HG2 PRO 64 1HG PRO 64 -5.055 -11.522 -15.744 467 HG3 PRO 64 2HG PRO 64 -5.528 -9.827 -15.519 468 HD2 PRO 64 1HD PRO 64 -3.369 -10.555 -16.982 469 HD3 PRO 64 2HD PRO 64 -3.431 -9.039 -16.061 470 H LYS 65 H LYS 65 -1.913 -12.749 -15.430 471 HA LYS 65 HA LYS 65 -3.039 -15.151 -14.308 472 HB2 LYS 65 1HB LYS 65 -1.617 -16.275 -16.058 473 HB3 LYS 65 2HB LYS 65 -2.784 -15.113 -16.677 474 HG2 LYS 65 1HG LYS 65 -1.182 -13.658 -17.367 475 HG3 LYS 65 2HG LYS 65 -0.049 -14.128 -16.097 476 HD2 LYS 65 1HD LYS 65 0.836 -14.889 -18.182 477 HD3 LYS 65 2HD LYS 65 0.261 -16.304 -17.296 478 HE2 LYS 65 1HE LYS 65 -0.556 -16.678 -19.431 479 HE3 LYS 65 2HE LYS 65 -1.934 -15.935 -18.619 480 HZ1 LYS 65 1HZ LYS 65 -0.867 -13.764 -19.565 481 HZ2 LYS 65 2HZ LYS 65 -1.859 -14.728 -20.538 482 HZ3 LYS 65 3HZ LYS 65 -0.177 -14.825 -20.688 483 H ILE 66 H ILE 66 -0.327 -13.251 -13.661 484 HA ILE 66 HA ILE 66 0.866 -15.445 -12.107 485 HB ILE 66 HB ILE 66 3.070 -14.839 -12.664 486 HG12 ILE 66 1HG1 ILE 66 2.003 -12.447 -14.176 487 HG13 ILE 66 2HG1 ILE 66 2.658 -12.369 -12.544 488 HG21 ILE 66 1HG2 ILE 66 2.719 -14.536 -15.350 489 HG22 ILE 66 2HG2 ILE 66 2.657 -16.072 -14.489 490 HG23 ILE 66 3HG2 ILE 66 1.165 -15.207 -14.855 491 HD11 ILE 66 1HD1 ILE 66 4.449 -13.675 -14.424 492 HD12 ILE 66 2HD1 ILE 66 4.065 -12.010 -14.863 493 HD13 ILE 66 3HD1 ILE 66 4.755 -12.368 -13.280 494 H GLN 67 H GLN 67 1.810 -14.866 -10.140 495 HA GLN 67 HA GLN 67 0.612 -12.707 -8.783 496 HB2 GLN 67 1HB GLN 67 1.838 -13.396 -6.882 497 HB3 GLN 67 2HB GLN 67 1.493 -14.868 -7.781 498 HG2 GLN 67 1HG GLN 67 4.097 -13.361 -7.722 499 HG3 GLN 67 2HG GLN 67 3.754 -14.917 -6.968 500 HE21 GLN 67 1HE2 GLN 67 5.059 -13.422 -9.615 501 HE22 GLN 67 2HE2 GLN 67 5.063 -14.754 -10.714 502 H LEU 68 H LEU 68 1.200 -10.647 -8.521 503 HA LEU 68 HA LEU 68 3.567 -9.694 -9.898 504 HB2 LEU 68 1HB LEU 68 1.289 -8.597 -10.003 505 HB3 LEU 68 2HB LEU 68 1.571 -8.063 -8.347 506 HG LEU 68 HG LEU 68 3.559 -6.811 -9.133 507 HD11 LEU 68 1HD1 LEU 68 2.580 -7.594 -11.875 508 HD12 LEU 68 2HD1 LEU 68 4.063 -8.158 -11.106 509 HD13 LEU 68 3HD1 LEU 68 3.878 -6.454 -11.521 510 HD21 LEU 68 1HD2 LEU 68 0.792 -6.260 -10.056 511 HD22 LEU 68 2HD2 LEU 68 2.086 -5.231 -10.670 512 HD23 LEU 68 3HD2 LEU 68 1.813 -5.363 -8.932 513 H THR 69 H THR 69 5.360 -10.179 -8.723 514 HA THR 69 HA THR 69 5.508 -9.913 -5.888 515 HB THR 69 HB THR 69 7.861 -10.400 -6.104 516 HG1 THR 69 1HG THR 69 8.901 -10.332 -8.082 517 HG21 THR 69 1HG2 THR 69 6.429 -11.997 -8.224 518 HG22 THR 69 2HG2 THR 69 6.180 -12.229 -6.493 519 HG23 THR 69 3HG2 THR 69 7.768 -12.518 -7.202 520 H PHE 70 H PHE 70 7.168 -8.515 -4.820 521 HA PHE 70 HA PHE 70 6.625 -5.798 -5.329 522 HB2 PHE 70 1HB PHE 70 7.153 -6.292 -3.102 523 HB3 PHE 70 2HB PHE 70 8.572 -7.233 -3.549 524 HD1 PHE 70 2HD PHE 70 7.223 -3.813 -3.258 525 HD2 PHE 70 1HD PHE 70 10.693 -6.223 -3.774 526 HE1 PHE 70 2HE PHE 70 8.644 -1.843 -2.871 527 HE2 PHE 70 1HE PHE 70 12.120 -4.256 -3.387 528 HZ PHE 70 HZ PHE 70 11.096 -2.063 -2.935 529 H GLU 71 H GLU 71 9.431 -7.829 -6.049 530 HA GLU 71 HA GLU 71 11.162 -5.856 -6.982 531 HB2 GLU 71 1HB GLU 71 10.861 -8.778 -7.605 532 HB3 GLU 71 2HB GLU 71 12.057 -7.803 -8.447 533 HG2 GLU 71 1HG GLU 71 13.263 -8.713 -6.705 534 HG3 GLU 71 2HG GLU 71 12.837 -7.117 -6.092 535 H ALA 72 H ALA 72 9.145 -8.018 -8.982 536 HA ALA 72 HA ALA 72 9.541 -6.934 -11.444 537 HB1 ALA 72 1HB ALA 72 7.324 -8.375 -10.164 538 HB2 ALA 72 2HB ALA 72 6.889 -7.457 -11.606 539 HB3 ALA 72 3HB ALA 72 8.153 -8.684 -11.690 540 H THR 73 H THR 73 6.890 -5.935 -9.269 541 HA THR 73 HA THR 73 5.880 -3.842 -10.724 542 HB THR 73 HB THR 73 6.196 -3.870 -7.717 543 HG1 THR 73 1HG THR 73 5.127 -5.741 -8.481 544 HG21 THR 73 1HG2 THR 73 5.334 -1.798 -7.968 545 HG22 THR 73 2HG2 THR 73 3.822 -2.664 -8.239 546 HG23 THR 73 3HG2 THR 73 4.783 -2.116 -9.612 547 H LEU 74 H LEU 74 8.651 -3.797 -8.520 548 HA LEU 74 HA LEU 74 9.132 -1.021 -8.650 549 HB2 LEU 74 1HB LEU 74 10.166 -2.101 -6.878 550 HB3 LEU 74 2HB LEU 74 10.770 -3.405 -7.897 551 HG LEU 74 HG LEU 74 12.256 -1.532 -8.938 552 HD11 LEU 74 1HD1 LEU 74 12.146 -0.338 -6.223 553 HD12 LEU 74 2HD1 LEU 74 10.908 0.132 -7.388 554 HD13 LEU 74 3HD1 LEU 74 12.613 0.384 -7.762 555 HD21 LEU 74 1HD2 LEU 74 13.199 -3.400 -7.790 556 HD22 LEU 74 2HD2 LEU 74 12.696 -2.764 -6.223 557 HD23 LEU 74 3HD2 LEU 74 13.953 -1.941 -7.148 558 H GLN 75 H GLN 75 10.806 -3.706 -10.300 559 HA GLN 75 HA GLN 75 12.520 -2.264 -11.885 560 HB2 GLN 75 1HB GLN 75 11.028 -4.802 -12.565 561 HB3 GLN 75 2HB GLN 75 12.377 -4.170 -13.499 562 HG2 GLN 75 1HG GLN 75 13.635 -4.242 -11.226 563 HG3 GLN 75 2HG GLN 75 12.363 -5.376 -10.773 564 HE21 GLN 75 1HE2 GLN 75 15.039 -4.783 -12.934 565 HE22 GLN 75 2HE2 GLN 75 15.266 -6.425 -13.420 566 H GLN 76 H GLN 76 9.236 -3.317 -12.794 567 HA GLN 76 HA GLN 76 9.146 -2.042 -15.276 568 HB2 GLN 76 1HB GLN 76 6.871 -2.630 -13.374 569 HB3 GLN 76 2HB GLN 76 6.690 -2.220 -15.074 570 HG2 GLN 76 1HG GLN 76 7.533 -4.248 -15.791 571 HG3 GLN 76 2HG GLN 76 8.361 -4.558 -14.266 572 HE21 GLN 76 1HE2 GLN 76 6.769 -4.649 -12.348 573 HE22 GLN 76 2HE2 GLN 76 5.369 -5.629 -12.599 574 H LEU 77 H LEU 77 8.532 -0.829 -12.046 575 HA LEU 77 HA LEU 77 7.292 1.599 -12.785 576 HB2 LEU 77 1HB LEU 77 8.558 0.490 -10.354 577 HB3 LEU 77 2HB LEU 77 8.438 2.246 -10.449 578 HG LEU 77 HG LEU 77 6.003 0.581 -10.921 579 HD11 LEU 77 1HD1 LEU 77 6.480 1.482 -8.158 580 HD12 LEU 77 2HD1 LEU 77 7.425 0.092 -8.691 581 HD13 LEU 77 3HD1 LEU 77 5.664 0.039 -8.762 582 HD21 LEU 77 1HD2 LEU 77 6.671 3.361 -10.544 583 HD22 LEU 77 2HD2 LEU 77 5.473 2.831 -9.363 584 HD23 LEU 77 3HD2 LEU 77 5.161 2.631 -11.088 585 H GLU 78 H GLU 78 8.193 3.754 -12.649 586 HA GLU 78 HA GLU 78 11.070 3.860 -13.272 587 HB2 GLU 78 1HB GLU 78 10.606 5.635 -14.905 588 HB3 GLU 78 2HB GLU 78 9.804 4.132 -15.337 589 HG2 GLU 78 1HG GLU 78 7.703 4.998 -14.429 590 HG3 GLU 78 2HG GLU 78 8.511 6.510 -14.021 591 H ALA 79 H ALA 79 12.155 5.087 -11.896 592 HA ALA 79 HA ALA 79 11.165 6.452 -9.752 593 HB1 ALA 79 1HB ALA 79 13.702 6.410 -11.189 594 HB2 ALA 79 2HB ALA 79 13.401 7.926 -10.338 595 HB3 ALA 79 3HB ALA 79 13.379 6.399 -9.455 596 HA PRO 80 HA PRO 80 12.345 8.470 -8.725 597 HB2 PRO 80 1HB PRO 80 10.867 10.142 -7.180 598 HB3 PRO 80 2HB PRO 80 12.173 10.706 -8.229 599 HG2 PRO 80 1HG PRO 80 9.218 10.720 -8.710 600 HG3 PRO 80 2HG PRO 80 10.413 11.985 -9.050 601 HD2 PRO 80 1HD PRO 80 9.461 10.327 -10.968 602 HD3 PRO 80 2HD PRO 80 11.113 10.975 -11.000 603 H TYR 81 H TYR 81 9.245 7.694 -9.716 604 HA TYR 81 HA TYR 81 7.840 6.988 -7.460 605 HB2 TYR 81 1HB TYR 81 7.951 5.269 -9.938 606 HB3 TYR 81 2HB TYR 81 6.606 5.462 -8.821 607 HD1 TYR 81 1HD TYR 81 6.586 8.430 -8.541 608 HD2 TYR 81 2HD TYR 81 7.034 5.964 -11.979 609 HE1 TYR 81 1HE TYR 81 5.674 10.232 -9.945 610 HE2 TYR 81 2HE TYR 81 6.124 7.760 -13.393 611 HH TYR 81 HH TYR 81 4.632 9.758 -13.095 612 H ASN 82 H ASN 82 9.984 4.812 -9.307 613 HA ASN 82 HA ASN 82 9.942 2.783 -7.313 614 HB2 ASN 82 1HB ASN 82 11.318 1.560 -8.729 615 HB3 ASN 82 2HB ASN 82 10.495 2.625 -9.864 616 HD21 ASN 82 1HD2 ASN 82 11.803 3.372 -11.350 617 HD22 ASN 82 2HD2 ASN 82 13.460 3.808 -11.132 618 H SER 83 H SER 83 12.036 5.502 -8.006 619 HA SER 83 HA SER 83 14.361 5.044 -6.772 620 HB2 SER 83 1HB SER 83 13.621 7.256 -7.663 621 HB3 SER 83 2HB SER 83 12.697 7.503 -6.182 622 HG SER 83 HG SER 83 14.775 7.180 -5.077 623 H ASP 84 H ASP 84 11.383 5.889 -5.017 624 HA ASP 84 HA ASP 84 12.663 5.238 -2.482 625 HB2 ASP 84 1HB ASP 84 9.777 6.012 -2.756 626 HB3 ASP 84 2HB ASP 84 10.891 6.325 -1.427 627 H THR 85 H THR 85 12.924 2.979 -2.836 628 HA THR 85 HA THR 85 10.973 1.157 -3.554 629 HB THR 85 HB THR 85 12.260 -0.518 -2.201 630 HG1 THR 85 1HG THR 85 13.657 0.166 -0.762 631 HG21 THR 85 1HG2 THR 85 13.457 1.272 -4.250 632 HG22 THR 85 2HG2 THR 85 13.114 -0.457 -4.319 633 HG23 THR 85 3HG2 THR 85 14.524 0.128 -3.437 634 H VAL 86 H VAL 86 11.768 2.352 -0.302 635 HA VAL 86 HA VAL 86 10.167 0.856 1.295 636 HB VAL 86 HB VAL 86 11.618 2.866 1.936 637 HG11 VAL 86 1HG1 VAL 86 10.273 4.427 0.458 638 HG12 VAL 86 2HG1 VAL 86 9.029 4.378 1.709 639 HG13 VAL 86 3HG1 VAL 86 10.635 5.004 2.085 640 HG21 VAL 86 1HG2 VAL 86 10.609 1.697 3.688 641 HG22 VAL 86 2HG2 VAL 86 10.090 3.364 3.939 642 HG23 VAL 86 3HG2 VAL 86 8.986 2.196 3.211 643 H LEU 87 H LEU 87 9.130 3.533 -0.769 644 HA LEU 87 HA LEU 87 6.416 3.488 0.105 645 HB2 LEU 87 1HB LEU 87 7.738 5.373 -1.064 646 HB3 LEU 87 2HB LEU 87 7.318 4.533 -2.555 647 HG LEU 87 HG LEU 87 4.931 4.829 -2.025 648 HD11 LEU 87 1HD1 LEU 87 4.310 6.398 -0.221 649 HD12 LEU 87 2HD1 LEU 87 5.985 6.386 0.331 650 HD13 LEU 87 3HD1 LEU 87 5.029 4.904 0.381 651 HD21 LEU 87 1HD2 LEU 87 4.820 7.185 -2.522 652 HD22 LEU 87 2HD2 LEU 87 6.167 6.466 -3.406 653 HD23 LEU 87 3HD2 LEU 87 6.473 7.419 -1.953 654 H VAL 88 H VAL 88 8.128 2.166 -2.704 655 HA VAL 88 HA VAL 88 5.877 1.105 -4.017 656 HB VAL 88 HB VAL 88 8.756 0.195 -4.096 657 HG11 VAL 88 1HG1 VAL 88 6.366 -0.609 -5.726 658 HG12 VAL 88 2HG1 VAL 88 8.012 -0.761 -6.344 659 HG13 VAL 88 3HG1 VAL 88 7.530 -1.639 -4.892 660 HG21 VAL 88 1HG2 VAL 88 7.168 1.989 -5.928 661 HG22 VAL 88 2HG2 VAL 88 8.455 2.491 -4.832 662 HG23 VAL 88 3HG2 VAL 88 8.824 1.452 -6.209 663 H HIS 89 H HIS 89 7.760 -0.033 -1.328 664 HA HIS 89 HA HIS 89 6.787 -2.740 -1.460 665 HB2 HIS 89 1HB HIS 89 8.978 -2.314 -0.496 666 HB3 HIS 89 2HB HIS 89 8.270 -1.253 0.718 667 HD1 HIS 89 1HD HIS 89 9.459 -4.580 0.339 668 HD2 HIS 89 2HD HIS 89 6.289 -2.833 2.378 669 HE1 HIS 89 1HE HIS 89 8.784 -6.252 2.092 670 HE2 HIS 89 2HE HIS 89 6.810 -5.209 3.257 671 H ARG 90 H ARG 90 5.950 0.211 0.243 672 HA ARG 90 HA ARG 90 4.066 -1.065 1.997 673 HB2 ARG 90 1HB ARG 90 4.602 1.834 1.342 674 HB3 ARG 90 2HB ARG 90 3.395 1.312 2.510 675 HG2 ARG 90 1HG ARG 90 4.963 0.631 4.036 676 HG3 ARG 90 2HG ARG 90 6.195 0.346 2.805 677 HD2 ARG 90 1HD ARG 90 6.687 2.625 2.606 678 HD3 ARG 90 2HD ARG 90 5.186 3.108 3.396 679 HE ARG 90 HE ARG 90 7.662 2.472 4.662 680 HH11 ARG 90 2HH1 ARG 90 4.205 2.379 5.056 681 HH12 ARG 90 1HH1 ARG 90 4.269 2.431 6.786 682 HH21 ARG 90 2HH2 ARG 90 7.761 2.542 6.940 683 HH22 ARG 90 1HH2 ARG 90 6.293 2.525 7.857 684 H VAL 91 H VAL 91 3.894 0.828 -0.986 685 HA VAL 91 HA VAL 91 1.085 1.007 -1.128 686 HB VAL 91 HB VAL 91 3.123 1.041 -3.358 687 HG11 VAL 91 1HG1 VAL 91 0.620 2.455 -3.806 688 HG12 VAL 91 2HG1 VAL 91 1.492 1.336 -4.855 689 HG13 VAL 91 3HG1 VAL 91 0.400 0.716 -3.616 690 HG21 VAL 91 1HG2 VAL 91 3.173 2.797 -1.468 691 HG22 VAL 91 2HG2 VAL 91 3.203 3.356 -3.140 692 HG23 VAL 91 3HG2 VAL 91 1.702 3.419 -2.217 693 H HIS 92 H HIS 92 3.297 -1.153 -2.914 694 HA HIS 92 HA HIS 92 1.405 -2.726 -4.165 695 HB2 HIS 92 1HB HIS 92 3.878 -2.799 -4.553 696 HB3 HIS 92 2HB HIS 92 4.039 -3.722 -3.062 697 HD1 HIS 92 1HD HIS 92 2.644 -6.077 -3.081 698 HD2 HIS 92 2HD HIS 92 3.467 -4.324 -6.757 699 HE1 HIS 92 1HE HIS 92 2.354 -7.909 -4.779 700 HE2 HIS 92 2HE HIS 92 2.940 -6.846 -6.986 701 H SER 93 H SER 93 2.369 -2.698 -0.838 702 HA SER 93 HA SER 93 1.367 -5.282 -0.160 703 HB2 SER 93 1HB SER 93 2.228 -2.871 1.408 704 HB3 SER 93 2HB SER 93 1.406 -4.203 2.220 705 HG SER 93 HG SER 93 3.918 -4.087 1.785 706 H TYR 94 H TYR 94 0.147 -2.031 0.670 707 HA TYR 94 HA TYR 94 -2.241 -2.642 1.790 708 HB2 TYR 94 1HB TYR 94 -1.892 -0.374 1.748 709 HB3 TYR 94 2HB TYR 94 -1.331 -0.381 0.080 710 HD1 TYR 94 2HD TYR 94 -2.972 -0.435 -1.776 711 HD2 TYR 94 1HD TYR 94 -4.197 -0.035 2.278 712 HE1 TYR 94 2HE TYR 94 -5.178 0.353 -2.527 713 HE2 TYR 94 1HE TYR 94 -6.407 0.753 1.539 714 HH TYR 94 HH TYR 94 -7.425 0.554 -1.741 715 H LEU 95 H LEU 95 -1.487 -2.676 -1.651 716 HA LEU 95 HA LEU 95 -4.154 -3.153 -2.524 717 HB2 LEU 95 1HB LEU 95 -1.487 -3.585 -3.852 718 HB3 LEU 95 2HB LEU 95 -3.032 -3.846 -4.659 719 HG LEU 95 HG LEU 95 -2.183 -1.193 -3.509 720 HD11 LEU 95 1HD1 LEU 95 -1.916 -0.669 -6.026 721 HD12 LEU 95 2HD1 LEU 95 -1.712 -2.412 -6.199 722 HD13 LEU 95 3HD1 LEU 95 -0.607 -1.493 -5.178 723 HD21 LEU 95 1HD2 LEU 95 -3.962 -0.329 -4.949 724 HD22 LEU 95 2HD2 LEU 95 -4.587 -1.487 -3.775 725 HD23 LEU 95 3HD2 LEU 95 -4.353 -1.973 -5.455 726 H GLU 96 H GLU 96 -1.323 -5.328 -2.609 727 HA GLU 96 HA GLU 96 -2.715 -7.672 -3.130 728 HB2 GLU 96 1HB GLU 96 -0.298 -7.543 -3.326 729 HB3 GLU 96 2HB GLU 96 -0.140 -7.286 -1.594 730 HG2 GLU 96 1HG GLU 96 -0.935 -9.510 -1.142 731 HG3 GLU 96 2HG GLU 96 -1.266 -9.777 -2.852 732 H ARG 97 H ARG 97 -1.492 -6.597 0.047 733 HA ARG 97 HA ARG 97 -2.496 -8.517 1.675 734 HB2 ARG 97 1HB ARG 97 -2.232 -5.553 2.069 735 HB3 ARG 97 2HB ARG 97 -2.900 -6.563 3.344 736 HG2 ARG 97 1HG ARG 97 -0.285 -7.287 2.103 737 HG3 ARG 97 2HG ARG 97 -0.364 -6.004 3.313 738 HD2 ARG 97 1HD ARG 97 -1.552 -7.628 4.813 739 HD3 ARG 97 2HD ARG 97 -1.192 -8.883 3.628 740 HE ARG 97 HE ARG 97 0.957 -8.938 4.402 741 HH11 ARG 97 2HH1 ARG 97 -0.550 -5.984 5.462 742 HH12 ARG 97 1HH1 ARG 97 0.775 -5.520 6.477 743 HH21 ARG 97 2HH2 ARG 97 2.708 -8.338 5.736 744 HH22 ARG 97 1HH2 ARG 97 2.628 -6.859 6.632 745 H HIS 98 H HIS 98 -4.291 -5.675 0.518 746 HA HIS 98 HA HIS 98 -6.713 -6.292 1.821 747 HB2 HIS 98 1HB HIS 98 -6.042 -4.588 -0.569 748 HB3 HIS 98 2HB HIS 98 -7.700 -4.779 -0.009 749 HD1 HIS 98 1HD HIS 98 -8.116 -2.480 0.905 750 HD2 HIS 98 2HD HIS 98 -4.623 -4.178 2.381 751 HE1 HIS 98 1HE HIS 98 -7.326 -0.925 2.717 752 HE2 HIS 98 2HE HIS 98 -5.166 -1.928 3.537 753 H GLY 99 H GLY 99 -5.534 -7.013 -1.448 754 HA2 GLY 99 1HA GLY 99 -6.120 -9.259 -2.298 755 HA3 GLY 99 2HA GLY 99 -7.743 -8.962 -1.692 756 H LEU 100 H LEU 100 -5.763 -6.591 -3.371 757 HA LEU 100 HA LEU 100 -7.812 -6.469 -5.463 758 HB2 LEU 100 1HB LEU 100 -5.592 -4.494 -5.034 759 HB3 LEU 100 2HB LEU 100 -7.109 -4.263 -5.901 760 HG LEU 100 HG LEU 100 -6.524 -4.079 -3.001 761 HD11 LEU 100 1HD1 LEU 100 -6.852 -2.033 -4.100 762 HD12 LEU 100 2HD1 LEU 100 -8.374 -2.352 -3.269 763 HD13 LEU 100 3HD1 LEU 100 -8.239 -2.642 -5.004 764 HD21 LEU 100 1HD2 LEU 100 -9.157 -4.316 -2.807 765 HD22 LEU 100 2HD2 LEU 100 -8.077 -5.695 -2.603 766 HD23 LEU 100 3HD2 LEU 100 -8.902 -5.440 -4.141 767 H ILE 101 H ILE 101 -4.700 -7.638 -4.912 768 HA ILE 101 HA ILE 101 -4.335 -8.092 -7.778 769 HB ILE 101 HB ILE 101 -1.933 -7.572 -7.642 770 HG12 ILE 101 1HG1 ILE 101 -2.449 -6.166 -5.038 771 HG13 ILE 101 2HG1 ILE 101 -1.980 -7.862 -5.056 772 HG21 ILE 101 1HG2 ILE 101 -3.915 -5.404 -7.028 773 HG22 ILE 101 2HG2 ILE 101 -2.225 -5.049 -7.381 774 HG23 ILE 101 3HG2 ILE 101 -3.225 -5.861 -8.585 775 HD11 ILE 101 1HD1 ILE 101 -0.327 -5.590 -5.188 776 HD12 ILE 101 2HD1 ILE 101 0.141 -7.289 -5.266 777 HD13 ILE 101 3HD1 ILE 101 -0.218 -6.403 -6.749 778 H ASN 102 H ASN 102 -3.288 -9.995 -8.295 779 HA ASN 102 HA ASN 102 -2.518 -12.120 -8.036 780 HB2 ASN 102 1HB ASN 102 -1.653 -11.263 -5.268 781 HB3 ASN 102 2HB ASN 102 -1.033 -12.622 -6.201 782 HD21 ASN 102 1HD2 ASN 102 1.019 -11.528 -5.690 783 HD22 ASN 102 2HD2 ASN 102 1.571 -10.292 -6.762 784 H PHE 103 H PHE 103 -5.123 -12.001 -7.788 785 HA PHE 103 HA PHE 103 -5.754 -13.649 -5.428 786 HB2 PHE 103 1HB PHE 103 -8.125 -12.775 -5.739 787 HB3 PHE 103 2HB PHE 103 -6.943 -11.619 -5.133 788 HD1 PHE 103 1HD PHE 103 -8.079 -12.828 -8.481 789 HD2 PHE 103 2HD PHE 103 -7.171 -9.508 -5.977 790 HE1 PHE 103 1HE PHE 103 -8.650 -11.292 -10.316 791 HE2 PHE 103 2HE PHE 103 -7.741 -7.967 -7.807 792 HZ PHE 103 HZ PHE 103 -8.483 -8.858 -9.980 793 H GLY 104 H GLY 104 -4.895 -14.269 -8.279 794 HA2 GLY 104 1HA GLY 104 -6.544 -16.555 -8.629 795 HA3 GLY 104 2HA GLY 104 -6.973 -15.312 -9.794 796 H ILE 105 H ILE 105 -3.847 -16.386 -8.470 797 HA ILE 105 HA ILE 105 -3.014 -17.041 -11.217 798 HB ILE 105 HB ILE 105 -0.802 -16.144 -10.796 799 HG12 ILE 105 1HG1 ILE 105 -0.790 -16.560 -8.341 800 HG13 ILE 105 2HG1 ILE 105 -0.241 -14.944 -8.769 801 HG21 ILE 105 1HG2 ILE 105 -1.538 -14.209 -11.589 802 HG22 ILE 105 2HG2 ILE 105 -3.163 -14.620 -11.043 803 HG23 ILE 105 3HG2 ILE 105 -2.076 -13.726 -9.980 804 HD11 ILE 105 1HD1 ILE 105 -2.984 -14.695 -8.368 805 HD12 ILE 105 2HD1 ILE 105 -2.414 -15.752 -7.076 806 HD13 ILE 105 3HD1 ILE 105 -1.690 -14.159 -7.297 807 H TYR 106 H TYR 106 -2.578 -17.588 -7.764 808 HA TYR 106 HA TYR 106 -1.250 -20.142 -8.392 809 HB2 TYR 106 1HB TYR 106 -0.520 -19.948 -5.908 810 HB3 TYR 106 2HB TYR 106 0.305 -18.967 -7.114 811 HD1 TYR 106 1HD TYR 106 -2.490 -18.824 -4.651 812 HD2 TYR 106 2HD TYR 106 0.477 -16.667 -6.808 813 HE1 TYR 106 1HE TYR 106 -3.036 -16.799 -3.366 814 HE2 TYR 106 2HE TYR 106 -0.060 -14.637 -5.528 815 HH TYR 106 HH TYR 106 -2.332 -14.706 -2.839 816 H LYS 107 H LYS 107 -1.545 -21.655 -6.308 817 HA LYS 107 HA LYS 107 -3.954 -22.834 -6.365 818 HB2 LYS 107 1HB LYS 107 -1.956 -22.553 -4.163 819 HB3 LYS 107 2HB LYS 107 -3.496 -23.322 -3.806 820 HG2 LYS 107 1HG LYS 107 -3.091 -25.089 -5.274 821 HG3 LYS 107 2HG LYS 107 -1.811 -24.213 -6.117 822 HD2 LYS 107 1HD LYS 107 -0.255 -24.651 -4.491 823 HD3 LYS 107 2HD LYS 107 -1.467 -24.777 -3.214 824 HE2 LYS 107 1HE LYS 107 -2.021 -26.960 -3.786 825 HE3 LYS 107 2HE LYS 107 -1.362 -26.804 -5.414 826 HZ1 LYS 107 1HZ LYS 107 0.462 -26.566 -3.130 827 HZ2 LYS 107 2HZ LYS 107 0.761 -27.149 -4.689 828 HZ3 LYS 107 3HZ LYS 107 -0.076 -28.107 -3.575 829 H ARG 108 H ARG 108 -3.190 -20.683 -3.626 830 HA ARG 108 HA ARG 108 -4.585 -19.519 -2.231 831 HB2 ARG 108 1HB ARG 108 -4.408 -18.261 -4.578 832 HB3 ARG 108 2HB ARG 108 -6.138 -18.575 -4.586 833 HG2 ARG 108 1HG ARG 108 -4.840 -17.316 -2.206 834 HG3 ARG 108 2HG ARG 108 -5.260 -16.350 -3.622 835 HD2 ARG 108 1HD ARG 108 -7.588 -17.212 -3.437 836 HD3 ARG 108 2HD ARG 108 -7.126 -18.007 -1.933 837 HE ARG 108 HE ARG 108 -7.265 -15.988 -0.872 838 HH11 ARG 108 2HH1 ARG 108 -7.082 -15.450 -4.306 839 HH12 ARG 108 1HH1 ARG 108 -7.376 -13.747 -4.187 840 HH21 ARG 108 2HH2 ARG 108 -7.653 -13.747 -0.701 841 HH22 ARG 108 1HH2 ARG 108 -7.700 -12.779 -2.136 842 H ILE 109 H ILE 109 -5.427 -22.135 -2.411 843 HA ILE 109 HA ILE 109 -7.900 -22.843 -3.198 844 HB ILE 109 HB ILE 109 -7.105 -23.392 -0.353 845 HG12 ILE 109 1HG1 ILE 109 -5.980 -25.437 -1.794 846 HG13 ILE 109 2HG1 ILE 109 -5.642 -24.046 -2.818 847 HG21 ILE 109 1HG2 ILE 109 -8.315 -25.357 -0.573 848 HG22 ILE 109 2HG2 ILE 109 -9.273 -24.207 -1.504 849 HG23 ILE 109 3HG2 ILE 109 -8.210 -25.344 -2.333 850 HD11 ILE 109 1HD1 ILE 109 -5.020 -23.997 0.107 851 HD12 ILE 109 2HD1 ILE 109 -3.911 -24.719 -1.060 852 HD13 ILE 109 3HD1 ILE 109 -4.344 -23.015 -1.193 853 H LYS 110 H LYS 110 -9.625 -21.536 -3.252 854 HA LYS 110 HA LYS 110 -11.033 -20.930 -0.870 855 HB2 LYS 110 1HB LYS 110 -10.728 -18.677 -0.576 856 HB3 LYS 110 2HB LYS 110 -9.123 -19.120 -1.144 857 HG2 LYS 110 1HG LYS 110 -9.615 -18.338 -3.350 858 HG3 LYS 110 2HG LYS 110 -11.308 -18.074 -2.929 859 HD2 LYS 110 1HD LYS 110 -9.236 -16.694 -1.305 860 HD3 LYS 110 2HD LYS 110 -9.539 -16.098 -2.938 861 HE2 LYS 110 1HE LYS 110 -12.033 -16.182 -2.228 862 HE3 LYS 110 2HE LYS 110 -11.389 -16.214 -0.587 863 HZ1 LYS 110 1HZ LYS 110 -11.454 -13.998 -0.809 864 HZ2 LYS 110 2HZ LYS 110 -11.467 -14.044 -2.500 865 HZ3 LYS 110 3HZ LYS 110 -10.005 -14.195 -1.661 866 HA PRO 111 HA PRO 111 -14.374 -20.841 -3.716 867 HB2 PRO 111 1HB PRO 111 -16.166 -19.300 -2.380 868 HB3 PRO 111 2HB PRO 111 -15.773 -20.954 -1.897 869 HG2 PRO 111 1HG PRO 111 -14.756 -18.365 -0.790 870 HG3 PRO 111 2HG PRO 111 -15.271 -19.826 0.074 871 HD2 PRO 111 1HD PRO 111 -12.665 -19.230 -0.358 872 HD3 PRO 111 2HD PRO 111 -13.264 -20.900 -0.291 873 H LEU 112 H LEU 112 -15.583 -19.499 -5.161 874 HA LEU 112 HA LEU 112 -14.822 -16.677 -5.278 875 HB2 LEU 112 1HB LEU 112 -14.798 -18.187 -7.835 876 HB3 LEU 112 2HB LEU 112 -13.910 -16.736 -7.372 877 HG LEU 112 HG LEU 112 -13.194 -19.353 -6.124 878 HD11 LEU 112 1HD1 LEU 112 -13.371 -19.605 -8.647 879 HD12 LEU 112 2HD1 LEU 112 -11.819 -20.001 -7.911 880 HD13 LEU 112 3HD1 LEU 112 -12.031 -18.462 -8.745 881 HD21 LEU 112 1HD2 LEU 112 -11.311 -18.289 -5.499 882 HD22 LEU 112 2HD2 LEU 112 -12.281 -16.839 -5.758 883 HD23 LEU 112 3HD2 LEU 112 -11.181 -17.401 -7.017 884 HA PRO 113 HA PRO 113 -19.022 -16.044 -6.391 885 HB2 PRO 113 1HB PRO 113 -18.819 -13.790 -7.891 886 HB3 PRO 113 2HB PRO 113 -18.620 -13.796 -6.134 887 HG2 PRO 113 1HG PRO 113 -16.530 -13.792 -8.277 888 HG3 PRO 113 2HG PRO 113 -16.588 -12.861 -6.769 889 HD2 PRO 113 1HD PRO 113 -15.088 -15.098 -7.043 890 HD3 PRO 113 2HD PRO 113 -15.832 -14.630 -5.500 891 H THR 114 H THR 114 -20.497 -15.816 -8.248 892 HA THR 114 HA THR 114 -19.397 -17.155 -10.629 893 HB THR 114 HB THR 114 -21.076 -18.510 -9.528 894 HG1 THR 114 1HG THR 114 -22.722 -18.381 -11.347 895 HG21 THR 114 1HG2 THR 114 -22.383 -15.973 -9.156 896 HG22 THR 114 2HG2 THR 114 -22.723 -17.526 -8.393 897 HG23 THR 114 3HG2 THR 114 -23.477 -17.116 -9.933 898 H LYS 115 H LYS 115 -18.743 -15.163 -11.587 899 HA LYS 115 HA LYS 115 -20.668 -14.041 -13.322 900 HB2 LYS 115 1HB LYS 115 -21.234 -12.894 -11.133 901 HB3 LYS 115 2HB LYS 115 -19.661 -12.114 -11.228 902 HG2 LYS 115 1HG LYS 115 -21.221 -10.567 -12.073 903 HG3 LYS 115 2HG LYS 115 -20.370 -11.220 -13.475 904 HD2 LYS 115 1HD LYS 115 -22.524 -11.370 -14.226 905 HD3 LYS 115 2HD LYS 115 -22.373 -12.945 -13.442 906 HE2 LYS 115 1HE LYS 115 -24.432 -12.055 -12.712 907 HE3 LYS 115 2HE LYS 115 -23.315 -11.848 -11.364 908 HZ1 LYS 115 1HZ LYS 115 -23.230 -9.582 -13.050 909 HZ2 LYS 115 2HZ LYS 115 -23.650 -9.674 -11.414 910 HZ3 LYS 115 3HZ LYS 115 -24.832 -9.894 -12.604 911 H LYS 116 H LYS 116 -19.606 -13.476 -15.102 912 HA LYS 116 HA LYS 116 -16.714 -13.071 -14.938 913 HB2 LYS 116 1HB LYS 116 -18.516 -13.578 -17.312 914 HB3 LYS 116 2HB LYS 116 -16.771 -13.381 -17.403 915 HG2 LYS 116 1HG LYS 116 -17.827 -15.455 -15.566 916 HG3 LYS 116 2HG LYS 116 -17.921 -15.761 -17.302 917 HD2 LYS 116 1HD LYS 116 -15.843 -16.600 -16.936 918 HD3 LYS 116 2HD LYS 116 -15.392 -14.908 -17.163 919 HE2 LYS 116 1HE LYS 116 -14.301 -15.307 -15.207 920 HE3 LYS 116 2HE LYS 116 -15.867 -14.827 -14.554 921 HZ1 LYS 116 1HZ LYS 116 -14.523 -17.250 -14.203 922 HZ2 LYS 116 2HZ LYS 116 -15.927 -17.577 -15.087 923 HZ3 LYS 116 3HZ LYS 116 -16.033 -16.796 -13.590 924 H THR 117 H THR 117 -15.811 -11.134 -15.171 925 HA THR 117 HA THR 117 -17.120 -8.742 -15.147 926 HB THR 117 HB THR 117 -14.486 -9.115 -16.576 927 HG1 THR 117 1HG THR 117 -13.648 -9.643 -14.711 928 HG21 THR 117 1HG2 THR 117 -14.399 -6.890 -16.592 929 HG22 THR 117 2HG2 THR 117 -14.649 -6.840 -14.847 930 HG23 THR 117 3HG2 THR 117 -16.035 -6.842 -15.937 931 H GLY 118 H GLY 118 -15.940 -10.453 -18.035 932 HA2 GLY 118 1HA GLY 118 -17.237 -10.491 -20.056 933 HA3 GLY 118 2HA GLY 118 -17.895 -8.922 -19.616 934 H SER 119 H SER 119 -16.987 -9.222 -22.129 935 HA SER 119 HA SER 119 -14.500 -7.648 -22.106 936 HB2 SER 119 1HB SER 119 -14.415 -10.166 -22.928 937 HB3 SER 119 2HB SER 119 -15.061 -9.465 -24.412 938 HG SER 119 HG SER 119 -13.245 -8.315 -24.683 939 H GLY 120 H GLY 120 -17.050 -8.702 -24.377 940 HA2 GLY 120 1HA GLY 120 -18.531 -7.397 -25.600 941 HA3 GLY 120 2HA GLY 120 -17.830 -5.964 -24.864 942 HA PRO 121 HA PRO 121 -16.348 -6.726 -29.338 943 HB2 PRO 121 1HB PRO 121 -17.933 -4.930 -30.616 944 HB3 PRO 121 2HB PRO 121 -18.385 -6.624 -30.396 945 HG2 PRO 121 1HG PRO 121 -19.228 -4.219 -28.826 946 HG3 PRO 121 2HG PRO 121 -20.207 -5.584 -29.393 947 HD2 PRO 121 1HD PRO 121 -19.314 -5.391 -26.844 948 HD3 PRO 121 2HD PRO 121 -19.529 -6.950 -27.664 949 H SER 122 H SER 122 -15.517 -4.926 -30.825 950 HA SER 122 HA SER 122 -14.157 -2.980 -29.155 951 HB2 SER 122 1HB SER 122 -13.830 -3.885 -32.009 952 HB3 SER 122 2HB SER 122 -12.996 -2.455 -31.401 953 HG SER 122 HG SER 122 -12.467 -5.096 -30.970 954 H SER 123 H SER 123 -16.115 -2.926 -32.131 955 HA SER 123 HA SER 123 -17.233 -1.226 -33.173 956 HB2 SER 123 1HB SER 123 -18.819 -0.039 -31.745 957 HB3 SER 123 2HB SER 123 -18.727 -1.732 -31.261 958 HG SER 123 HG SER 123 -16.999 0.043 -29.995 959 H GLY 124 H GLY 124 -14.530 -0.641 -32.896 960 HA2 GLY 124 1HA GLY 124 -14.556 2.183 -33.238 961 HA3 GLY 124 2HA GLY 124 -13.833 1.754 -31.695 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -14.376 14.718 -5.412 2 HA2 GLY 1 1HA GLY 1 -15.993 13.844 -7.273 3 HA3 GLY 1 2HA GLY 1 -16.001 15.561 -6.897 4 H SER 2 H SER 2 -15.054 17.022 -8.314 5 HA SER 2 HA SER 2 -14.075 15.917 -10.858 6 HB2 SER 2 1HB SER 2 -16.510 16.685 -10.944 7 HB3 SER 2 2HB SER 2 -15.894 18.322 -10.722 8 HG SER 2 HG SER 2 -16.022 18.014 -12.895 9 H SER 3 H SER 3 -14.324 18.770 -8.773 10 HA SER 3 HA SER 3 -12.483 20.400 -10.098 11 HB2 SER 3 1HB SER 3 -14.010 21.152 -8.276 12 HB3 SER 3 2HB SER 3 -12.992 20.301 -7.115 13 HG SER 3 HG SER 3 -11.239 21.655 -7.973 14 H GLY 4 H GLY 4 -10.651 19.321 -10.758 15 HA2 GLY 4 1HA GLY 4 -8.494 19.196 -8.943 16 HA3 GLY 4 2HA GLY 4 -9.104 17.572 -9.220 17 H SER 5 H SER 5 -6.516 18.296 -9.895 18 HA SER 5 HA SER 5 -6.199 19.125 -12.568 19 HB2 SER 5 1HB SER 5 -3.930 18.032 -12.361 20 HB3 SER 5 2HB SER 5 -4.303 19.211 -11.104 21 HG SER 5 HG SER 5 -3.504 16.809 -10.695 22 H SER 6 H SER 6 -7.862 17.927 -13.665 23 HA SER 6 HA SER 6 -6.862 15.558 -14.904 24 HB2 SER 6 1HB SER 6 -8.918 15.338 -12.763 25 HB3 SER 6 2HB SER 6 -9.147 14.352 -14.206 26 HG SER 6 HG SER 6 -6.705 14.424 -12.778 27 H GLY 7 H GLY 7 -7.733 15.293 -16.896 28 HA2 GLY 7 1HA GLY 7 -10.321 15.920 -17.708 29 HA3 GLY 7 2HA GLY 7 -9.347 17.359 -17.969 30 H GLU 8 H GLU 8 -8.645 13.892 -18.379 31 HA GLU 8 HA GLU 8 -8.325 14.335 -21.254 32 HB2 GLU 8 1HB GLU 8 -6.092 14.633 -20.377 33 HB3 GLU 8 2HB GLU 8 -6.218 13.147 -19.445 34 HG2 GLU 8 1HG GLU 8 -4.868 12.713 -21.354 35 HG3 GLU 8 2HG GLU 8 -6.412 11.893 -21.580 36 H GLU 9 H GLU 9 -8.363 12.388 -22.517 37 HA GLU 9 HA GLU 9 -10.346 10.620 -21.985 38 HB2 GLU 9 1HB GLU 9 -9.239 9.055 -23.577 39 HB3 GLU 9 2HB GLU 9 -9.339 10.708 -24.166 40 HG2 GLU 9 1HG GLU 9 -6.961 10.978 -23.276 41 HG3 GLU 9 2HG GLU 9 -6.939 9.219 -23.170 42 HA PRO 10 HA PRO 10 -9.103 7.833 -18.831 43 HB2 PRO 10 1HB PRO 10 -10.368 5.562 -19.614 44 HB3 PRO 10 2HB PRO 10 -11.223 6.955 -18.941 45 HG2 PRO 10 1HG PRO 10 -10.880 6.143 -21.802 46 HG3 PRO 10 2HG PRO 10 -12.330 6.743 -20.975 47 HD2 PRO 10 1HD PRO 10 -10.784 8.325 -22.537 48 HD3 PRO 10 2HD PRO 10 -11.654 8.942 -21.118 49 H SER 11 H SER 11 -7.850 7.708 -21.856 50 HA SER 11 HA SER 11 -6.671 5.112 -21.893 51 HB2 SER 11 1HB SER 11 -5.687 7.564 -23.363 52 HB3 SER 11 2HB SER 11 -5.439 5.874 -23.804 53 HG SER 11 HG SER 11 -7.456 7.486 -24.471 54 H GLY 12 H GLY 12 -5.017 4.397 -20.730 55 HA2 GLY 12 1HA GLY 12 -2.582 4.961 -20.272 56 HA3 GLY 12 2HA GLY 12 -3.233 6.389 -19.481 57 H VAL 13 H VAL 13 -1.875 5.382 -17.715 58 HA VAL 13 HA VAL 13 -2.681 3.011 -16.425 59 HB VAL 13 HB VAL 13 -1.235 5.423 -15.325 60 HG11 VAL 13 1HG1 VAL 13 -1.799 4.511 -13.340 61 HG12 VAL 13 2HG1 VAL 13 -2.152 2.932 -14.043 62 HG13 VAL 13 3HG1 VAL 13 -0.482 3.400 -13.716 63 HG21 VAL 13 1HG2 VAL 13 0.532 4.628 -16.408 64 HG22 VAL 13 2HG2 VAL 13 0.394 3.113 -15.516 65 HG23 VAL 13 3HG2 VAL 13 -0.441 3.308 -17.056 66 H GLU 14 H GLU 14 -3.336 6.415 -15.577 67 HA GLU 14 HA GLU 14 -4.834 6.277 -13.379 68 HB2 GLU 14 1HB GLU 14 -5.665 7.808 -15.851 69 HB3 GLU 14 2HB GLU 14 -6.208 8.138 -14.211 70 HG2 GLU 14 1HG GLU 14 -4.558 9.703 -14.470 71 HG3 GLU 14 2HG GLU 14 -3.669 8.385 -13.708 72 H GLY 15 H GLY 15 -6.165 5.625 -16.622 73 HA2 GLY 15 1HA GLY 15 -8.753 5.109 -16.205 74 HA3 GLY 15 2HA GLY 15 -7.772 4.048 -17.206 75 H ALA 16 H ALA 16 -6.180 2.811 -15.344 76 HA ALA 16 HA ALA 16 -7.591 0.649 -14.512 77 HB1 ALA 16 1HB ALA 16 -5.579 0.008 -13.835 78 HB2 ALA 16 2HB ALA 16 -4.994 1.655 -14.071 79 HB3 ALA 16 3HB ALA 16 -5.630 1.161 -12.502 80 H ALA 17 H ALA 17 -6.846 3.463 -12.451 81 HA ALA 17 HA ALA 17 -7.943 2.870 -10.092 82 HB1 ALA 17 1HB ALA 17 -9.059 5.393 -10.677 83 HB2 ALA 17 2HB ALA 17 -7.565 5.037 -9.809 84 HB3 ALA 17 3HB ALA 17 -7.533 5.287 -11.555 85 H PHE 18 H PHE 18 -9.745 3.359 -13.052 86 HA PHE 18 HA PHE 18 -12.303 3.761 -12.254 87 HB2 PHE 18 1HB PHE 18 -12.081 3.572 -14.551 88 HB3 PHE 18 2HB PHE 18 -11.135 2.091 -14.442 89 HD1 PHE 18 2HD PHE 18 -14.543 3.223 -13.414 90 HD2 PHE 18 1HD PHE 18 -12.162 0.236 -15.290 91 HE1 PHE 18 2HE PHE 18 -16.568 1.902 -13.872 92 HE2 PHE 18 1HE PHE 18 -14.183 -1.090 -15.753 93 HZ PHE 18 HZ PHE 18 -16.389 -0.258 -15.042 94 H GLN 19 H GLN 19 -10.856 0.515 -12.575 95 HA GLN 19 HA GLN 19 -12.863 -1.058 -11.660 96 HB2 GLN 19 1HB GLN 19 -11.198 -2.641 -10.899 97 HB3 GLN 19 2HB GLN 19 -10.643 -1.878 -12.383 98 HG2 GLN 19 1HG GLN 19 -8.943 -0.777 -11.352 99 HG3 GLN 19 2HG GLN 19 -9.794 -0.674 -9.812 100 HE21 GLN 19 1HE2 GLN 19 -9.662 -2.363 -8.363 101 HE22 GLN 19 2HE2 GLN 19 -8.516 -3.645 -8.527 102 H SER 20 H SER 20 -10.885 1.106 -9.762 103 HA SER 20 HA SER 20 -12.235 0.215 -7.308 104 HB2 SER 20 1HB SER 20 -9.625 1.572 -7.853 105 HB3 SER 20 2HB SER 20 -10.417 1.844 -6.301 106 HG SER 20 HG SER 20 -9.592 -0.627 -7.419 107 H ARG 21 H ARG 21 -13.626 1.503 -6.249 108 HA ARG 21 HA ARG 21 -14.504 3.923 -7.536 109 HB2 ARG 21 1HB ARG 21 -15.411 2.493 -5.037 110 HB3 ARG 21 2HB ARG 21 -16.149 3.977 -5.622 111 HG2 ARG 21 1HG ARG 21 -16.397 2.606 -7.844 112 HG3 ARG 21 2HG ARG 21 -16.264 1.228 -6.748 113 HD2 ARG 21 1HD ARG 21 -18.075 2.421 -5.367 114 HD3 ARG 21 2HD ARG 21 -18.343 3.390 -6.815 115 HE ARG 21 HE ARG 21 -19.168 0.696 -6.380 116 HH11 ARG 21 2HH1 ARG 21 -18.128 2.946 -8.824 117 HH12 ARG 21 1HH1 ARG 21 -18.946 2.126 -10.112 118 HH21 ARG 21 2HH2 ARG 21 -20.249 -0.393 -8.067 119 HH22 ARG 21 1HH2 ARG 21 -20.153 0.227 -9.680 120 H LEU 22 H LEU 22 -11.927 4.337 -6.813 121 HA LEU 22 HA LEU 22 -12.200 6.333 -4.677 122 HB2 LEU 22 1HB LEU 22 -10.078 5.762 -3.741 123 HB3 LEU 22 2HB LEU 22 -11.073 4.309 -3.805 124 HG LEU 22 HG LEU 22 -9.762 3.916 -6.058 125 HD11 LEU 22 1HD1 LEU 22 -8.380 6.153 -4.853 126 HD12 LEU 22 2HD1 LEU 22 -8.193 5.439 -6.454 127 HD13 LEU 22 3HD1 LEU 22 -7.312 4.768 -5.081 128 HD21 LEU 22 1HD2 LEU 22 -7.970 3.325 -3.841 129 HD22 LEU 22 2HD2 LEU 22 -8.837 2.232 -4.921 130 HD23 LEU 22 3HD2 LEU 22 -9.648 2.900 -3.503 131 HA PRO 23 HA PRO 23 -10.312 9.098 -7.522 132 HB2 PRO 23 1HB PRO 23 -9.133 10.837 -5.803 133 HB3 PRO 23 2HB PRO 23 -10.880 10.778 -6.061 134 HG2 PRO 23 1HG PRO 23 -9.250 9.586 -3.851 135 HG3 PRO 23 2HG PRO 23 -10.799 10.446 -3.761 136 HD2 PRO 23 1HD PRO 23 -10.624 7.745 -3.666 137 HD3 PRO 23 2HD PRO 23 -12.010 8.588 -4.387 138 H HIS 24 H HIS 24 -8.427 9.317 -8.618 139 HA HIS 24 HA HIS 24 -6.112 7.867 -7.586 140 HB2 HIS 24 1HB HIS 24 -5.282 7.886 -9.853 141 HB3 HIS 24 2HB HIS 24 -6.971 7.389 -9.879 142 HD1 HIS 24 1HD HIS 24 -8.700 9.372 -10.561 143 HD2 HIS 24 2HD HIS 24 -4.697 9.968 -11.500 144 HE1 HIS 24 1HE HIS 24 -8.680 11.198 -12.291 145 HE2 HIS 24 2HE HIS 24 -6.254 11.482 -12.905 146 H ASP 25 H ASP 25 -7.213 11.073 -8.129 147 HA ASP 25 HA ASP 25 -4.590 12.268 -8.237 148 HB2 ASP 25 1HB ASP 25 -6.451 13.342 -9.395 149 HB3 ASP 25 2HB ASP 25 -7.325 13.510 -7.875 150 H ARG 26 H ARG 26 -6.987 11.542 -5.809 151 HA ARG 26 HA ARG 26 -5.178 12.653 -3.766 152 HB2 ARG 26 1HB ARG 26 -7.194 13.108 -2.382 153 HB3 ARG 26 2HB ARG 26 -7.129 14.064 -3.857 154 HG2 ARG 26 1HG ARG 26 -8.892 12.953 -4.820 155 HG3 ARG 26 2HG ARG 26 -8.637 11.496 -3.857 156 HD2 ARG 26 1HD ARG 26 -10.530 12.369 -2.877 157 HD3 ARG 26 2HD ARG 26 -9.261 13.046 -1.858 158 HE ARG 26 HE ARG 26 -10.081 14.708 -4.079 159 HH11 ARG 26 2HH1 ARG 26 -10.519 13.907 -0.720 160 HH12 ARG 26 1HH1 ARG 26 -11.226 15.435 -0.313 161 HH21 ARG 26 2HH2 ARG 26 -11.011 16.724 -3.556 162 HH22 ARG 26 1HH2 ARG 26 -11.507 17.036 -1.927 163 H MET 27 H MET 27 -5.671 11.657 -1.547 164 HA MET 27 HA MET 27 -5.805 8.753 -1.910 165 HB2 MET 27 1HB MET 27 -4.842 10.328 0.483 166 HB3 MET 27 2HB MET 27 -4.689 8.592 0.245 167 HG2 MET 27 1HG MET 27 -3.039 8.821 -1.354 168 HG3 MET 27 2HG MET 27 -3.490 10.483 -1.727 169 HE1 MET 27 1HE MET 27 -2.748 8.261 1.120 170 HE2 MET 27 2HE MET 27 -0.995 8.459 1.115 171 HE3 MET 27 3HE MET 27 -1.974 9.292 2.324 172 H THR 28 H THR 28 -6.926 7.457 -0.296 173 HA THR 28 HA THR 28 -9.439 8.731 0.494 174 HB THR 28 HB THR 28 -10.196 6.358 0.904 175 HG1 THR 28 1HG THR 28 -7.825 5.678 -0.517 176 HG21 THR 28 1HG2 THR 28 -10.394 7.759 -1.291 177 HG22 THR 28 2HG2 THR 28 -10.789 6.040 -1.311 178 HG23 THR 28 3HG2 THR 28 -9.228 6.594 -1.916 179 H SER 29 H SER 29 -10.427 7.955 2.573 180 HA SER 29 HA SER 29 -9.014 8.756 4.765 181 HB2 SER 29 1HB SER 29 -11.161 6.620 4.747 182 HB3 SER 29 2HB SER 29 -10.669 7.582 6.141 183 HG SER 29 HG SER 29 -12.420 8.196 4.202 184 H GLN 30 H GLN 30 -9.085 5.550 3.328 185 HA GLN 30 HA GLN 30 -7.648 4.266 5.431 186 HB2 GLN 30 1HB GLN 30 -9.150 3.249 3.547 187 HB3 GLN 30 2HB GLN 30 -7.661 3.252 2.612 188 HG2 GLN 30 1HG GLN 30 -8.201 1.804 5.190 189 HG3 GLN 30 2HG GLN 30 -7.915 1.103 3.598 190 HE21 GLN 30 1HE2 GLN 30 -6.451 2.822 6.273 191 HE22 GLN 30 2HE2 GLN 30 -4.819 2.383 5.912 192 H GLU 31 H GLU 31 -6.674 5.078 2.093 193 HA GLU 31 HA GLU 31 -3.993 4.494 2.290 194 HB2 GLU 31 1HB GLU 31 -5.286 6.740 0.734 195 HB3 GLU 31 2HB GLU 31 -3.650 6.153 0.475 196 HG2 GLU 31 1HG GLU 31 -6.027 4.340 0.270 197 HG3 GLU 31 2HG GLU 31 -5.475 5.316 -1.090 198 H ALA 32 H ALA 32 -5.661 7.459 3.239 199 HA ALA 32 HA ALA 32 -3.394 9.004 3.837 200 HB1 ALA 32 1HB ALA 32 -6.041 9.500 3.778 201 HB2 ALA 32 2HB ALA 32 -5.772 9.433 5.520 202 HB3 ALA 32 3HB ALA 32 -4.858 10.570 4.530 203 H ALA 33 H ALA 33 -5.265 6.732 5.791 204 HA ALA 33 HA ALA 33 -3.896 7.263 8.228 205 HB1 ALA 33 1HB ALA 33 -5.769 6.214 8.849 206 HB2 ALA 33 2HB ALA 33 -5.948 5.411 7.289 207 HB3 ALA 33 3HB ALA 33 -4.882 4.726 8.516 208 H CYS 34 H CYS 34 -3.586 4.728 5.758 209 HA CYS 34 HA CYS 34 -1.519 3.303 7.046 210 HB2 CYS 34 1HB CYS 34 -3.067 2.704 4.982 211 HB3 CYS 34 2HB CYS 34 -1.707 3.343 4.066 212 HG CYS 34 HG CYS 34 -2.089 0.359 5.259 213 H PHE 35 H PHE 35 -1.462 5.813 4.538 214 HA PHE 35 HA PHE 35 1.435 6.091 4.994 215 HB2 PHE 35 1HB PHE 35 -0.092 6.991 2.547 216 HB3 PHE 35 2HB PHE 35 1.656 6.919 2.750 217 HD1 PHE 35 2HD PHE 35 -1.375 4.772 2.675 218 HD2 PHE 35 1HD PHE 35 2.831 5.038 2.080 219 HE1 PHE 35 2HE PHE 35 -1.366 2.494 1.744 220 HE2 PHE 35 1HE PHE 35 2.846 2.761 1.148 221 HZ PHE 35 HZ PHE 35 0.746 1.486 0.980 222 HA PRO 36 HA PRO 36 -0.347 9.911 6.784 223 HB2 PRO 36 1HB PRO 36 1.628 10.213 8.622 224 HB3 PRO 36 2HB PRO 36 0.227 9.166 8.881 225 HG2 PRO 36 1HG PRO 36 2.998 8.443 8.008 226 HG3 PRO 36 2HG PRO 36 1.945 7.627 9.178 227 HD2 PRO 36 1HD PRO 36 2.255 6.748 6.636 228 HD3 PRO 36 2HD PRO 36 0.735 6.558 7.533 229 H ASP 37 H ASP 37 3.078 9.243 6.087 230 HA ASP 37 HA ASP 37 3.919 11.901 5.829 231 HB2 ASP 37 1HB ASP 37 5.682 10.405 5.974 232 HB3 ASP 37 2HB ASP 37 4.950 9.272 4.841 233 H ILE 38 H ILE 38 2.516 9.670 3.485 234 HA ILE 38 HA ILE 38 2.904 11.287 1.200 235 HB ILE 38 HB ILE 38 0.790 9.188 1.702 236 HG12 ILE 38 1HG1 ILE 38 3.092 8.341 1.919 237 HG13 ILE 38 2HG1 ILE 38 2.298 7.685 0.492 238 HG21 ILE 38 1HG2 ILE 38 0.547 10.947 -0.220 239 HG22 ILE 38 2HG2 ILE 38 1.770 9.950 -1.008 240 HG23 ILE 38 3HG2 ILE 38 0.230 9.239 -0.526 241 HD11 ILE 38 1HD1 ILE 38 3.633 10.054 -0.281 242 HD12 ILE 38 2HD1 ILE 38 4.753 9.080 0.672 243 HD13 ILE 38 3HD1 ILE 38 3.976 8.390 -0.752 244 H ILE 39 H ILE 39 -0.016 10.747 3.179 245 HA ILE 39 HA ILE 39 -1.610 12.664 1.887 246 HB ILE 39 HB ILE 39 -2.564 10.935 3.330 247 HG12 ILE 39 1HG1 ILE 39 -4.062 12.492 4.720 248 HG13 ILE 39 2HG1 ILE 39 -3.103 13.810 4.056 249 HG21 ILE 39 1HG2 ILE 39 -1.012 10.714 5.082 250 HG22 ILE 39 2HG2 ILE 39 -1.108 12.425 5.493 251 HG23 ILE 39 3HG2 ILE 39 -2.470 11.358 5.836 252 HD11 ILE 39 1HD1 ILE 39 -5.367 12.815 2.946 253 HD12 ILE 39 2HD1 ILE 39 -4.117 13.699 2.069 254 HD13 ILE 39 3HD1 ILE 39 -4.123 11.936 2.057 255 H SER 40 H SER 40 0.694 12.922 4.515 256 HA SER 40 HA SER 40 0.038 15.759 4.858 257 HB2 SER 40 1HB SER 40 0.175 14.416 6.910 258 HB3 SER 40 2HB SER 40 1.831 13.959 6.508 259 HG SER 40 HG SER 40 1.335 16.673 6.531 260 H GLY 41 H GLY 41 1.336 14.913 2.464 261 HA2 GLY 41 1HA GLY 41 3.943 16.258 2.816 262 HA3 GLY 41 2HA GLY 41 3.748 14.874 1.751 263 HA PRO 42 HA PRO 42 3.139 18.914 -0.581 264 HB2 PRO 42 1HB PRO 42 5.204 18.579 -2.311 265 HB3 PRO 42 2HB PRO 42 5.382 19.384 -0.747 266 HG2 PRO 42 1HG PRO 42 6.049 16.569 -1.514 267 HG3 PRO 42 2HG PRO 42 6.979 17.709 -0.524 268 HD2 PRO 42 1HD PRO 42 5.467 15.738 0.555 269 HD3 PRO 42 2HD PRO 42 5.711 17.302 1.358 270 H GLN 43 H GLN 43 2.176 19.075 -2.597 271 HA GLN 43 HA GLN 43 0.664 17.101 -3.616 272 HB2 GLN 43 1HB GLN 43 0.503 18.321 -5.677 273 HB3 GLN 43 2HB GLN 43 0.650 19.481 -4.364 274 HG2 GLN 43 1HG GLN 43 2.990 18.581 -6.018 275 HG3 GLN 43 2HG GLN 43 1.987 19.969 -6.438 276 HE21 GLN 43 1HE2 GLN 43 2.057 21.812 -5.150 277 HE22 GLN 43 2HE2 GLN 43 3.334 22.096 -4.023 278 H GLN 44 H GLN 44 4.055 17.667 -4.398 279 HA GLN 44 HA GLN 44 4.301 15.817 -6.489 280 HB2 GLN 44 1HB GLN 44 5.972 17.600 -5.681 281 HB3 GLN 44 2HB GLN 44 6.501 16.391 -4.519 282 HG2 GLN 44 1HG GLN 44 7.227 14.930 -6.228 283 HG3 GLN 44 2HG GLN 44 6.425 15.881 -7.477 284 HE21 GLN 44 1HE2 GLN 44 8.853 15.429 -8.117 285 HE22 GLN 44 2HE2 GLN 44 9.917 16.752 -7.798 286 H THR 45 H THR 45 5.012 15.426 -3.020 287 HA THR 45 HA THR 45 5.773 12.754 -3.073 288 HB THR 45 HB THR 45 4.322 14.224 -0.864 289 HG1 THR 45 1HG THR 45 7.083 13.669 -0.903 290 HG21 THR 45 1HG2 THR 45 4.778 11.506 -1.046 291 HG22 THR 45 2HG2 THR 45 4.503 12.413 0.441 292 HG23 THR 45 3HG2 THR 45 6.149 12.088 -0.103 293 H GLN 46 H GLN 46 2.538 14.106 -2.427 294 HA GLN 46 HA GLN 46 1.156 11.737 -2.071 295 HB2 GLN 46 1HB GLN 46 0.241 14.336 -3.307 296 HB3 GLN 46 2HB GLN 46 -0.848 13.017 -2.896 297 HG2 GLN 46 1HG GLN 46 -0.240 13.206 -0.559 298 HG3 GLN 46 2HG GLN 46 0.919 14.477 -0.946 299 HE21 GLN 46 1HE2 GLN 46 -0.846 15.104 0.898 300 HE22 GLN 46 2HE2 GLN 46 -2.072 16.160 0.290 301 H LYS 47 H LYS 47 1.681 13.519 -5.106 302 HA LYS 47 HA LYS 47 0.315 11.772 -6.801 303 HB2 LYS 47 1HB LYS 47 2.741 13.469 -7.418 304 HB3 LYS 47 2HB LYS 47 1.666 12.755 -8.613 305 HG2 LYS 47 1HG LYS 47 -0.023 14.240 -8.188 306 HG3 LYS 47 2HG LYS 47 0.507 14.537 -6.531 307 HD2 LYS 47 1HD LYS 47 1.018 16.512 -7.701 308 HD3 LYS 47 2HD LYS 47 2.554 15.655 -7.557 309 HE2 LYS 47 1HE LYS 47 2.531 15.004 -9.803 310 HE3 LYS 47 2HE LYS 47 0.807 15.328 -9.973 311 HZ1 LYS 47 1HZ LYS 47 3.064 17.184 -10.053 312 HZ2 LYS 47 2HZ LYS 47 1.612 17.750 -9.396 313 HZ3 LYS 47 3HZ LYS 47 1.650 17.162 -10.982 314 H VAL 48 H VAL 48 3.732 11.807 -5.838 315 HA VAL 48 HA VAL 48 4.734 9.793 -7.413 316 HB VAL 48 HB VAL 48 5.395 10.317 -4.512 317 HG11 VAL 48 1HG1 VAL 48 6.311 8.287 -6.325 318 HG12 VAL 48 2HG1 VAL 48 7.642 9.360 -5.887 319 HG13 VAL 48 3HG1 VAL 48 6.720 8.537 -4.628 320 HG21 VAL 48 1HG2 VAL 48 6.716 12.021 -5.163 321 HG22 VAL 48 2HG2 VAL 48 7.207 11.211 -6.650 322 HG23 VAL 48 3HG2 VAL 48 5.659 12.051 -6.575 323 H PHE 49 H PHE 49 2.963 9.478 -4.363 324 HA PHE 49 HA PHE 49 3.138 6.605 -4.371 325 HB2 PHE 49 1HB PHE 49 2.975 7.330 -2.198 326 HB3 PHE 49 2HB PHE 49 1.917 8.674 -2.613 327 HD1 PHE 49 1HD PHE 49 -0.498 8.170 -3.171 328 HD2 PHE 49 2HD PHE 49 2.108 5.330 -1.367 329 HE1 PHE 49 1HE PHE 49 -2.445 6.875 -2.404 330 HE2 PHE 49 2HE PHE 49 0.166 4.030 -0.598 331 HZ PHE 49 HZ PHE 49 -2.115 4.802 -1.117 332 H LEU 50 H LEU 50 0.708 9.032 -5.174 333 HA LEU 50 HA LEU 50 -1.436 7.241 -5.597 334 HB2 LEU 50 1HB LEU 50 -0.850 10.036 -6.504 335 HB3 LEU 50 2HB LEU 50 -2.284 9.181 -7.069 336 HG LEU 50 HG LEU 50 -1.656 9.732 -4.171 337 HD11 LEU 50 1HD1 LEU 50 -2.043 11.835 -5.201 338 HD12 LEU 50 2HD1 LEU 50 -3.539 11.376 -4.388 339 HD13 LEU 50 3HD1 LEU 50 -3.397 11.201 -6.137 340 HD21 LEU 50 1HD2 LEU 50 -3.456 8.521 -3.648 341 HD22 LEU 50 2HD2 LEU 50 -3.338 7.855 -5.277 342 HD23 LEU 50 3HD2 LEU 50 -4.410 9.219 -4.957 343 H PHE 51 H PHE 51 1.404 7.728 -7.330 344 HA PHE 51 HA PHE 51 0.248 6.913 -9.887 345 HB2 PHE 51 1HB PHE 51 1.845 8.684 -10.078 346 HB3 PHE 51 2HB PHE 51 3.017 7.816 -9.093 347 HD1 PHE 51 1HD PHE 51 3.862 5.560 -10.034 348 HD2 PHE 51 2HD PHE 51 1.953 8.555 -12.381 349 HE1 PHE 51 1HE PHE 51 4.858 4.597 -12.067 350 HE2 PHE 51 2HE PHE 51 2.945 7.595 -14.418 351 HZ PHE 51 HZ PHE 51 4.399 5.613 -14.263 352 H ILE 52 H ILE 52 2.526 5.789 -7.432 353 HA ILE 52 HA ILE 52 3.412 3.469 -8.711 354 HB ILE 52 HB ILE 52 3.048 3.979 -5.757 355 HG12 ILE 52 1HG1 ILE 52 5.689 3.967 -7.146 356 HG13 ILE 52 2HG1 ILE 52 4.651 5.373 -7.351 357 HG21 ILE 52 1HG2 ILE 52 3.829 1.943 -5.302 358 HG22 ILE 52 2HG2 ILE 52 3.503 1.546 -6.989 359 HG23 ILE 52 3HG2 ILE 52 5.111 2.085 -6.504 360 HD11 ILE 52 1HD1 ILE 52 5.444 6.158 -5.446 361 HD12 ILE 52 2HD1 ILE 52 4.665 4.815 -4.608 362 HD13 ILE 52 3HD1 ILE 52 6.335 4.665 -5.154 363 H ARG 53 H ARG 53 0.602 4.015 -6.626 364 HA ARG 53 HA ARG 53 -0.255 1.369 -6.390 365 HB2 ARG 53 1HB ARG 53 -1.238 3.035 -4.992 366 HB3 ARG 53 2HB ARG 53 -1.785 3.967 -6.379 367 HG2 ARG 53 1HG ARG 53 -3.104 1.726 -6.890 368 HG3 ARG 53 2HG ARG 53 -2.946 1.539 -5.143 369 HD2 ARG 53 1HD ARG 53 -4.121 3.922 -6.573 370 HD3 ARG 53 2HD ARG 53 -5.033 2.665 -5.738 371 HE ARG 53 HE ARG 53 -3.464 3.549 -3.778 372 HH11 ARG 53 2HH1 ARG 53 -5.357 5.280 -6.131 373 HH12 ARG 53 1HH1 ARG 53 -5.646 6.637 -5.093 374 HH21 ARG 53 2HH2 ARG 53 -3.837 5.330 -2.401 375 HH22 ARG 53 1HH2 ARG 53 -4.780 6.665 -2.972 376 H ASN 54 H ASN 54 -1.471 3.850 -8.651 377 HA ASN 54 HA ASN 54 -3.126 2.206 -10.149 378 HB2 ASN 54 1HB ASN 54 -1.533 4.523 -11.258 379 HB3 ASN 54 2HB ASN 54 -3.072 3.906 -11.851 380 HD21 ASN 54 1HD2 ASN 54 -2.290 6.579 -10.912 381 HD22 ASN 54 2HD2 ASN 54 -3.399 6.969 -9.646 382 H ARG 55 H ARG 55 0.293 3.006 -10.701 383 HA ARG 55 HA ARG 55 0.656 1.582 -13.067 384 HB2 ARG 55 1HB ARG 55 2.311 3.158 -12.182 385 HB3 ARG 55 2HB ARG 55 2.645 2.069 -10.843 386 HG2 ARG 55 1HG ARG 55 4.393 1.791 -12.407 387 HG3 ARG 55 2HG ARG 55 3.363 0.364 -12.541 388 HD2 ARG 55 1HD ARG 55 2.213 1.496 -14.463 389 HD3 ARG 55 2HD ARG 55 3.456 2.744 -14.385 390 HE ARG 55 HE ARG 55 4.581 0.132 -14.581 391 HH11 ARG 55 2HH1 ARG 55 3.095 2.686 -16.422 392 HH12 ARG 55 1HH1 ARG 55 3.865 2.240 -17.909 393 HH21 ARG 55 2HH2 ARG 55 5.600 -0.466 -16.532 394 HH22 ARG 55 1HH2 ARG 55 5.289 0.446 -17.970 395 H THR 56 H THR 56 0.921 0.517 -9.703 396 HA THR 56 HA THR 56 1.927 -2.049 -10.153 397 HB THR 56 HB THR 56 0.077 -1.098 -7.958 398 HG1 THR 56 1HG THR 56 1.960 -0.023 -7.713 399 HG21 THR 56 1HG2 THR 56 0.505 -3.058 -6.771 400 HG22 THR 56 2HG2 THR 56 1.893 -3.478 -7.775 401 HG23 THR 56 3HG2 THR 56 0.259 -3.638 -8.418 402 H LEU 57 H LEU 57 -1.390 -0.841 -10.189 403 HA LEU 57 HA LEU 57 -2.605 -3.403 -10.473 404 HB2 LEU 57 1HB LEU 57 -3.512 -0.576 -10.764 405 HB3 LEU 57 2HB LEU 57 -4.534 -1.878 -11.371 406 HG LEU 57 HG LEU 57 -3.556 -1.903 -8.538 407 HD11 LEU 57 1HD1 LEU 57 -6.051 -0.909 -8.292 408 HD12 LEU 57 2HD1 LEU 57 -5.516 -0.071 -9.748 409 HD13 LEU 57 3HD1 LEU 57 -4.588 0.076 -8.255 410 HD21 LEU 57 1HD2 LEU 57 -4.726 -3.846 -9.768 411 HD22 LEU 57 2HD2 LEU 57 -6.184 -2.867 -9.605 412 HD23 LEU 57 3HD2 LEU 57 -5.304 -3.386 -8.166 413 H GLN 58 H GLN 58 -1.967 -0.758 -12.771 414 HA GLN 58 HA GLN 58 -2.981 -1.707 -15.081 415 HB2 GLN 58 1HB GLN 58 -0.509 -0.178 -14.452 416 HB3 GLN 58 2HB GLN 58 -0.674 -0.807 -16.087 417 HG2 GLN 58 1HG GLN 58 -2.774 0.870 -14.742 418 HG3 GLN 58 2HG GLN 58 -1.480 1.539 -15.736 419 HE21 GLN 58 1HE2 GLN 58 -1.358 0.805 -17.964 420 HE22 GLN 58 2HE2 GLN 58 -2.816 0.393 -18.795 421 H LEU 59 H LEU 59 0.306 -2.523 -13.955 422 HA LEU 59 HA LEU 59 0.908 -4.389 -15.924 423 HB2 LEU 59 1HB LEU 59 1.812 -4.569 -13.060 424 HB3 LEU 59 2HB LEU 59 2.645 -5.171 -14.491 425 HG LEU 59 HG LEU 59 2.185 -2.246 -13.923 426 HD11 LEU 59 1HD1 LEU 59 4.912 -2.951 -13.704 427 HD12 LEU 59 2HD1 LEU 59 3.997 -4.052 -12.674 428 HD13 LEU 59 3HD1 LEU 59 3.843 -2.308 -12.457 429 HD21 LEU 59 1HD2 LEU 59 3.749 -3.781 -15.975 430 HD22 LEU 59 2HD2 LEU 59 4.130 -2.107 -15.572 431 HD23 LEU 59 3HD2 LEU 59 2.542 -2.518 -16.222 432 H TRP 60 H TRP 60 -0.849 -4.772 -12.898 433 HA TRP 60 HA TRP 60 -0.983 -7.603 -12.956 434 HB2 TRP 60 1HB TRP 60 -1.466 -6.814 -10.852 435 HB3 TRP 60 2HB TRP 60 -2.367 -5.429 -11.461 436 HD1 TRP 60 HD TRP 60 -4.956 -5.659 -11.626 437 HE1 TRP 60 1HE TRP 60 -6.632 -7.523 -11.043 438 HE3 TRP 60 3HE TRP 60 -1.665 -9.492 -10.842 439 HZ2 TRP 60 2HZ TRP 60 -6.567 -10.257 -10.341 440 HZ3 TRP 60 3HZ TRP 60 -2.553 -11.699 -10.217 441 HH2 TRP 60 HH TRP 60 -4.954 -12.072 -9.972 442 H LEU 61 H LEU 61 -3.098 -5.050 -14.174 443 HA LEU 61 HA LEU 61 -5.164 -6.832 -15.022 444 HB2 LEU 61 1HB LEU 61 -4.549 -3.942 -15.382 445 HB3 LEU 61 2HB LEU 61 -5.714 -4.695 -16.469 446 HG LEU 61 HG LEU 61 -5.975 -4.755 -13.468 447 HD11 LEU 61 1HD1 LEU 61 -7.335 -2.867 -15.380 448 HD12 LEU 61 2HD1 LEU 61 -5.969 -2.432 -14.353 449 HD13 LEU 61 3HD1 LEU 61 -7.500 -2.917 -13.624 450 HD21 LEU 61 1HD2 LEU 61 -7.164 -6.451 -14.951 451 HD22 LEU 61 2HD2 LEU 61 -8.112 -5.091 -15.552 452 HD23 LEU 61 3HD2 LEU 61 -8.164 -5.515 -13.841 453 H ASP 62 H ASP 62 -2.220 -5.635 -16.410 454 HA ASP 62 HA ASP 62 -2.929 -6.453 -19.101 455 HB2 ASP 62 1HB ASP 62 -1.554 -4.458 -18.813 456 HB3 ASP 62 2HB ASP 62 -0.332 -5.399 -17.962 457 H ASN 63 H ASN 63 -1.008 -7.607 -16.404 458 HA ASN 63 HA ASN 63 -0.592 -10.127 -17.865 459 HB2 ASN 63 1HB ASN 63 1.478 -8.550 -17.507 460 HB3 ASN 63 2HB ASN 63 1.431 -9.187 -15.865 461 HD21 ASN 63 1HD2 ASN 63 0.648 -11.778 -16.329 462 HD22 ASN 63 2HD2 ASN 63 1.889 -12.605 -17.200 463 HA PRO 64 HA PRO 64 -2.559 -10.571 -13.577 464 HB2 PRO 64 1HB PRO 64 -4.990 -11.447 -14.408 465 HB3 PRO 64 2HB PRO 64 -4.618 -9.737 -14.162 466 HG2 PRO 64 1HG PRO 64 -4.680 -11.315 -16.705 467 HG3 PRO 64 2HG PRO 64 -5.304 -9.687 -16.383 468 HD2 PRO 64 1HD PRO 64 -2.941 -10.119 -17.632 469 HD3 PRO 64 2HD PRO 64 -3.226 -8.712 -16.588 470 H LYS 65 H LYS 65 -1.892 -12.408 -16.350 471 HA LYS 65 HA LYS 65 -2.826 -14.950 -15.509 472 HB2 LYS 65 1HB LYS 65 -1.273 -15.832 -17.235 473 HB3 LYS 65 2HB LYS 65 -2.325 -14.559 -17.838 474 HG2 LYS 65 1HG LYS 65 -0.614 -13.082 -18.120 475 HG3 LYS 65 2HG LYS 65 0.353 -13.784 -16.821 476 HD2 LYS 65 1HD LYS 65 0.699 -15.788 -18.295 477 HD3 LYS 65 2HD LYS 65 -0.066 -14.876 -19.599 478 HE2 LYS 65 1HE LYS 65 1.662 -13.100 -19.251 479 HE3 LYS 65 2HE LYS 65 2.470 -14.187 -18.123 480 HZ1 LYS 65 1HZ LYS 65 2.665 -15.809 -19.939 481 HZ2 LYS 65 2HZ LYS 65 3.475 -14.364 -20.282 482 HZ3 LYS 65 3HZ LYS 65 1.983 -14.689 -21.009 483 H ILE 66 H ILE 66 -0.275 -13.003 -14.439 484 HA ILE 66 HA ILE 66 0.831 -15.263 -12.926 485 HB ILE 66 HB ILE 66 3.077 -14.617 -13.274 486 HG12 ILE 66 1HG1 ILE 66 2.062 -12.203 -14.791 487 HG13 ILE 66 2HG1 ILE 66 2.690 -12.169 -13.147 488 HG21 ILE 66 1HG2 ILE 66 2.910 -14.274 -15.984 489 HG22 ILE 66 2HG2 ILE 66 2.851 -15.822 -15.144 490 HG23 ILE 66 3HG2 ILE 66 1.354 -15.008 -15.598 491 HD11 ILE 66 1HD1 ILE 66 4.818 -12.237 -13.830 492 HD12 ILE 66 2HD1 ILE 66 4.478 -13.389 -15.122 493 HD13 ILE 66 3HD1 ILE 66 4.151 -11.672 -15.361 494 H GLN 67 H GLN 67 1.569 -14.778 -10.861 495 HA GLN 67 HA GLN 67 0.276 -12.707 -9.497 496 HB2 GLN 67 1HB GLN 67 1.362 -13.463 -7.568 497 HB3 GLN 67 2HB GLN 67 1.267 -14.898 -8.581 498 HG2 GLN 67 1HG GLN 67 3.668 -13.141 -8.146 499 HG3 GLN 67 2HG GLN 67 3.433 -14.791 -7.573 500 HE21 GLN 67 1HE2 GLN 67 4.735 -12.882 -9.972 501 HE22 GLN 67 2HE2 GLN 67 5.022 -14.102 -11.160 502 H LEU 68 H LEU 68 1.163 -10.869 -8.391 503 HA LEU 68 HA LEU 68 3.406 -9.660 -9.863 504 HB2 LEU 68 1HB LEU 68 1.111 -8.597 -9.970 505 HB3 LEU 68 2HB LEU 68 1.315 -8.203 -8.265 506 HG LEU 68 HG LEU 68 3.310 -6.858 -8.859 507 HD11 LEU 68 1HD1 LEU 68 3.459 -6.227 -11.321 508 HD12 LEU 68 2HD1 LEU 68 2.517 -7.685 -11.634 509 HD13 LEU 68 3HD1 LEU 68 4.094 -7.805 -10.854 510 HD21 LEU 68 1HD2 LEU 68 1.558 -5.432 -10.552 511 HD22 LEU 68 2HD2 LEU 68 1.846 -5.192 -8.828 512 HD23 LEU 68 3HD2 LEU 68 0.563 -6.277 -9.366 513 H THR 69 H THR 69 5.240 -9.795 -8.755 514 HA THR 69 HA THR 69 5.219 -9.834 -5.848 515 HB THR 69 HB THR 69 7.577 -10.366 -5.982 516 HG1 THR 69 1HG THR 69 8.655 -10.367 -7.966 517 HG21 THR 69 1HG2 THR 69 7.478 -12.447 -7.285 518 HG22 THR 69 2HG2 THR 69 5.997 -11.886 -8.060 519 HG23 THR 69 3HG2 THR 69 6.017 -12.212 -6.328 520 H PHE 70 H PHE 70 7.126 -8.570 -4.807 521 HA PHE 70 HA PHE 70 6.588 -5.808 -5.166 522 HB2 PHE 70 1HB PHE 70 7.153 -6.368 -2.975 523 HB3 PHE 70 2HB PHE 70 8.504 -7.379 -3.477 524 HD1 PHE 70 2HD PHE 70 7.372 -3.921 -2.958 525 HD2 PHE 70 1HD PHE 70 10.672 -6.463 -3.831 526 HE1 PHE 70 2HE PHE 70 8.916 -2.050 -2.551 527 HE2 PHE 70 1HE PHE 70 12.222 -4.596 -3.425 528 HZ PHE 70 HZ PHE 70 11.345 -2.385 -2.785 529 H GLU 71 H GLU 71 9.341 -7.872 -6.000 530 HA GLU 71 HA GLU 71 11.074 -5.887 -6.923 531 HB2 GLU 71 1HB GLU 71 10.758 -8.801 -7.574 532 HB3 GLU 71 2HB GLU 71 11.946 -7.819 -8.419 533 HG2 GLU 71 1HG GLU 71 12.628 -7.158 -5.957 534 HG3 GLU 71 2HG GLU 71 11.887 -8.715 -5.594 535 H ALA 72 H ALA 72 8.961 -7.993 -8.881 536 HA ALA 72 HA ALA 72 9.337 -6.926 -11.356 537 HB1 ALA 72 1HB ALA 72 7.849 -8.554 -11.675 538 HB2 ALA 72 2HB ALA 72 7.202 -8.392 -10.042 539 HB3 ALA 72 3HB ALA 72 6.611 -7.346 -11.332 540 H THR 73 H THR 73 6.742 -5.855 -9.149 541 HA THR 73 HA THR 73 5.778 -3.728 -10.577 542 HB THR 73 HB THR 73 6.152 -3.752 -7.576 543 HG1 THR 73 1HG THR 73 5.033 -5.609 -8.320 544 HG21 THR 73 1HG2 THR 73 3.874 -2.459 -7.885 545 HG22 THR 73 2HG2 THR 73 4.560 -2.081 -9.465 546 HG23 THR 73 3HG2 THR 73 5.418 -1.615 -7.997 547 H LEU 74 H LEU 74 8.600 -3.777 -8.442 548 HA LEU 74 HA LEU 74 9.156 -1.005 -8.613 549 HB2 LEU 74 1HB LEU 74 10.094 -2.191 -6.804 550 HB3 LEU 74 2HB LEU 74 10.810 -3.399 -7.869 551 HG LEU 74 HG LEU 74 12.169 -1.301 -8.741 552 HD11 LEU 74 1HD1 LEU 74 10.943 -0.408 -6.226 553 HD12 LEU 74 2HD1 LEU 74 11.597 0.528 -7.570 554 HD13 LEU 74 3HD1 LEU 74 12.682 -0.143 -6.352 555 HD21 LEU 74 1HD2 LEU 74 12.601 -3.199 -6.514 556 HD22 LEU 74 2HD2 LEU 74 13.727 -1.846 -6.637 557 HD23 LEU 74 3HD2 LEU 74 13.527 -2.954 -7.995 558 H GLN 75 H GLN 75 10.768 -3.783 -10.170 559 HA GLN 75 HA GLN 75 12.542 -2.470 -11.779 560 HB2 GLN 75 1HB GLN 75 10.905 -4.919 -12.456 561 HB3 GLN 75 2HB GLN 75 12.314 -4.384 -13.362 562 HG2 GLN 75 1HG GLN 75 12.443 -4.991 -10.429 563 HG3 GLN 75 2HG GLN 75 12.651 -6.235 -11.660 564 HE21 GLN 75 1HE2 GLN 75 14.154 -3.841 -9.843 565 HE22 GLN 75 2HE2 GLN 75 15.675 -3.817 -10.661 566 H GLN 76 H GLN 76 9.172 -3.262 -12.616 567 HA GLN 76 HA GLN 76 9.201 -1.998 -15.135 568 HB2 GLN 76 1HB GLN 76 6.882 -2.580 -13.286 569 HB3 GLN 76 2HB GLN 76 6.727 -2.090 -14.968 570 HG2 GLN 76 1HG GLN 76 7.597 -4.105 -15.759 571 HG3 GLN 76 2HG GLN 76 8.281 -4.528 -14.190 572 HE21 GLN 76 1HE2 GLN 76 6.745 -4.987 -12.455 573 HE22 GLN 76 2HE2 GLN 76 5.245 -5.745 -12.852 574 H LEU 77 H LEU 77 8.303 -0.856 -11.914 575 HA LEU 77 HA LEU 77 7.159 1.574 -12.519 576 HB2 LEU 77 1HB LEU 77 8.688 0.495 -10.232 577 HB3 LEU 77 2HB LEU 77 8.531 2.249 -10.314 578 HG LEU 77 HG LEU 77 6.097 0.522 -10.518 579 HD11 LEU 77 1HD1 LEU 77 6.895 -0.392 -8.555 580 HD12 LEU 77 2HD1 LEU 77 5.957 0.980 -7.966 581 HD13 LEU 77 3HD1 LEU 77 7.713 1.094 -8.071 582 HD21 LEU 77 1HD2 LEU 77 5.651 2.795 -8.975 583 HD22 LEU 77 2HD2 LEU 77 5.192 2.548 -10.660 584 HD23 LEU 77 3HD2 LEU 77 6.724 3.330 -10.269 585 H GLU 78 H GLU 78 8.112 3.771 -12.257 586 HA GLU 78 HA GLU 78 10.885 3.940 -13.203 587 HB2 GLU 78 1HB GLU 78 10.231 5.694 -14.818 588 HB3 GLU 78 2HB GLU 78 9.515 4.133 -15.192 589 HG2 GLU 78 1HG GLU 78 7.399 4.837 -14.273 590 HG3 GLU 78 2HG GLU 78 8.100 6.372 -13.763 591 H ALA 79 H ALA 79 12.031 5.271 -11.977 592 HA ALA 79 HA ALA 79 11.173 6.625 -9.773 593 HB1 ALA 79 1HB ALA 79 13.324 7.151 -9.561 594 HB2 ALA 79 2HB ALA 79 13.584 6.356 -11.114 595 HB3 ALA 79 3HB ALA 79 13.313 8.098 -11.049 596 HA PRO 80 HA PRO 80 12.275 8.710 -8.857 597 HB2 PRO 80 1HB PRO 80 10.808 10.300 -7.216 598 HB3 PRO 80 2HB PRO 80 11.996 10.936 -8.361 599 HG2 PRO 80 1HG PRO 80 9.019 10.756 -8.624 600 HG3 PRO 80 2HG PRO 80 10.102 12.092 -9.057 601 HD2 PRO 80 1HD PRO 80 9.121 10.358 -10.891 602 HD3 PRO 80 2HD PRO 80 10.722 11.110 -11.048 603 H TYR 81 H TYR 81 9.177 7.716 -9.620 604 HA TYR 81 HA TYR 81 8.015 6.938 -7.236 605 HB2 TYR 81 1HB TYR 81 7.947 5.221 -9.712 606 HB3 TYR 81 2HB TYR 81 6.693 5.425 -8.494 607 HD1 TYR 81 1HD TYR 81 6.712 8.416 -8.282 608 HD2 TYR 81 2HD TYR 81 6.817 5.850 -11.674 609 HE1 TYR 81 1HE TYR 81 5.673 10.182 -9.643 610 HE2 TYR 81 2HE TYR 81 5.780 7.609 -13.045 611 HH TYR 81 HH TYR 81 4.184 9.732 -12.413 612 H ASN 82 H ASN 82 10.037 4.877 -9.336 613 HA ASN 82 HA ASN 82 10.280 2.793 -7.442 614 HB2 ASN 82 1HB ASN 82 12.050 1.928 -8.922 615 HB3 ASN 82 2HB ASN 82 10.623 2.411 -9.834 616 HD21 ASN 82 1HD2 ASN 82 12.206 2.388 -11.604 617 HD22 ASN 82 2HD2 ASN 82 13.126 3.820 -11.899 618 H SER 83 H SER 83 11.868 5.811 -7.784 619 HA SER 83 HA SER 83 14.383 5.378 -6.749 620 HB2 SER 83 1HB SER 83 13.342 7.571 -7.570 621 HB3 SER 83 2HB SER 83 12.700 7.747 -5.937 622 HG SER 83 HG SER 83 15.442 7.438 -6.607 623 H ASP 84 H ASP 84 11.362 5.910 -4.964 624 HA ASP 84 HA ASP 84 12.734 5.262 -2.460 625 HB2 ASP 84 1HB ASP 84 10.063 6.502 -3.091 626 HB3 ASP 84 2HB ASP 84 10.446 5.909 -1.477 627 H THR 85 H THR 85 12.992 3.026 -2.796 628 HA THR 85 HA THR 85 11.043 1.213 -3.575 629 HB THR 85 HB THR 85 12.354 -0.461 -2.160 630 HG1 THR 85 1HG THR 85 14.161 1.718 -1.879 631 HG21 THR 85 1HG2 THR 85 14.540 0.268 -3.630 632 HG22 THR 85 2HG2 THR 85 13.236 1.096 -4.482 633 HG23 THR 85 3HG2 THR 85 13.167 -0.650 -4.249 634 H VAL 86 H VAL 86 11.801 2.428 -0.332 635 HA VAL 86 HA VAL 86 10.235 0.853 1.254 636 HB VAL 86 HB VAL 86 11.681 2.856 1.928 637 HG11 VAL 86 1HG1 VAL 86 9.066 4.266 1.413 638 HG12 VAL 86 2HG1 VAL 86 10.410 4.947 2.332 639 HG13 VAL 86 3HG1 VAL 86 10.612 4.571 0.621 640 HG21 VAL 86 1HG2 VAL 86 10.638 1.596 3.628 641 HG22 VAL 86 2HG2 VAL 86 10.233 3.279 3.969 642 HG23 VAL 86 3HG2 VAL 86 9.040 2.220 3.218 643 H LEU 87 H LEU 87 9.181 3.548 -0.772 644 HA LEU 87 HA LEU 87 6.485 3.547 0.120 645 HB2 LEU 87 1HB LEU 87 7.863 5.334 -1.198 646 HB3 LEU 87 2HB LEU 87 7.275 4.461 -2.611 647 HG LEU 87 HG LEU 87 4.960 4.907 -1.899 648 HD11 LEU 87 1HD1 LEU 87 4.588 6.592 -0.119 649 HD12 LEU 87 2HD1 LEU 87 6.296 6.470 0.304 650 HD13 LEU 87 3HD1 LEU 87 5.242 5.067 0.480 651 HD21 LEU 87 1HD2 LEU 87 6.920 6.930 -2.672 652 HD22 LEU 87 2HD2 LEU 87 5.457 7.598 -1.948 653 HD23 LEU 87 3HD2 LEU 87 5.342 6.553 -3.365 654 H VAL 88 H VAL 88 8.102 2.137 -2.710 655 HA VAL 88 HA VAL 88 5.823 1.044 -3.922 656 HB VAL 88 HB VAL 88 8.659 0.004 -4.016 657 HG11 VAL 88 1HG1 VAL 88 6.311 -1.156 -4.990 658 HG12 VAL 88 2HG1 VAL 88 7.088 -0.418 -6.392 659 HG13 VAL 88 3HG1 VAL 88 7.969 -1.587 -5.407 660 HG21 VAL 88 1HG2 VAL 88 7.411 1.645 -6.168 661 HG22 VAL 88 2HG2 VAL 88 8.037 2.453 -4.730 662 HG23 VAL 88 3HG2 VAL 88 9.110 1.469 -5.726 663 H HIS 89 H HIS 89 7.852 -0.113 -1.315 664 HA HIS 89 HA HIS 89 6.835 -2.780 -1.301 665 HB2 HIS 89 1HB HIS 89 9.044 -1.971 -0.309 666 HB3 HIS 89 2HB HIS 89 8.094 -1.361 1.043 667 HD1 HIS 89 1HD HIS 89 6.447 -3.391 2.093 668 HD2 HIS 89 2HD HIS 89 9.959 -4.463 0.149 669 HE1 HIS 89 1HE HIS 89 6.972 -5.718 2.887 670 HE2 HIS 89 2HE HIS 89 9.146 -6.313 1.763 671 H ARG 90 H ARG 90 6.043 0.195 0.424 672 HA ARG 90 HA ARG 90 4.128 -1.031 2.155 673 HB2 ARG 90 1HB ARG 90 4.691 1.843 1.430 674 HB3 ARG 90 2HB ARG 90 3.434 1.375 2.567 675 HG2 ARG 90 1HG ARG 90 4.924 0.759 4.181 676 HG3 ARG 90 2HG ARG 90 6.185 0.351 3.016 677 HD2 ARG 90 1HD ARG 90 6.930 2.500 2.862 678 HD3 ARG 90 2HD ARG 90 5.339 3.188 3.184 679 HE ARG 90 HE ARG 90 5.954 3.349 5.366 680 HH11 ARG 90 2HH1 ARG 90 7.803 0.789 3.900 681 HH12 ARG 90 1HH1 ARG 90 8.724 0.458 5.330 682 HH21 ARG 90 2HH2 ARG 90 7.160 2.923 7.255 683 HH22 ARG 90 1HH2 ARG 90 8.356 1.672 7.238 684 H VAL 91 H VAL 91 3.879 0.982 -0.766 685 HA VAL 91 HA VAL 91 1.091 1.049 -0.939 686 HB VAL 91 HB VAL 91 3.113 1.115 -3.183 687 HG11 VAL 91 1HG1 VAL 91 0.400 2.340 -3.359 688 HG12 VAL 91 2HG1 VAL 91 1.466 1.773 -4.646 689 HG13 VAL 91 3HG1 VAL 91 0.586 0.611 -3.652 690 HG21 VAL 91 1HG2 VAL 91 3.022 3.491 -3.013 691 HG22 VAL 91 2HG2 VAL 91 1.716 3.416 -1.830 692 HG23 VAL 91 3HG2 VAL 91 3.332 2.860 -1.396 693 H HIS 92 H HIS 92 3.352 -1.089 -2.688 694 HA HIS 92 HA HIS 92 1.507 -2.683 -3.979 695 HB2 HIS 92 1HB HIS 92 3.990 -2.744 -4.296 696 HB3 HIS 92 2HB HIS 92 4.114 -3.656 -2.795 697 HD1 HIS 92 1HD HIS 92 3.111 -6.094 -2.818 698 HD2 HIS 92 2HD HIS 92 3.270 -4.212 -6.519 699 HE1 HIS 92 1HE HIS 92 2.784 -7.920 -4.516 700 HE2 HIS 92 2HE HIS 92 2.969 -6.771 -6.749 701 H SER 93 H SER 93 2.497 -2.729 -0.633 702 HA SER 93 HA SER 93 1.434 -5.280 0.020 703 HB2 SER 93 1HB SER 93 2.402 -2.912 1.552 704 HB3 SER 93 2HB SER 93 1.399 -4.087 2.403 705 HG SER 93 HG SER 93 3.989 -4.263 1.702 706 H TYR 94 H TYR 94 0.215 -2.020 0.812 707 HA TYR 94 HA TYR 94 -2.204 -2.657 1.892 708 HB2 TYR 94 1HB TYR 94 -1.835 -0.393 1.944 709 HB3 TYR 94 2HB TYR 94 -1.226 -0.344 0.293 710 HD1 TYR 94 2HD TYR 94 -2.861 -0.436 -1.612 711 HD2 TYR 94 1HD TYR 94 -4.104 0.074 2.425 712 HE1 TYR 94 2HE TYR 94 -5.037 0.401 -2.394 713 HE2 TYR 94 1HE TYR 94 -6.284 0.912 1.654 714 HH TYR 94 HH TYR 94 -7.013 1.221 -1.810 715 H LEU 95 H LEU 95 -1.331 -2.653 -1.510 716 HA LEU 95 HA LEU 95 -3.977 -3.015 -2.499 717 HB2 LEU 95 1HB LEU 95 -1.264 -3.494 -3.707 718 HB3 LEU 95 2HB LEU 95 -2.768 -3.755 -4.588 719 HG LEU 95 HG LEU 95 -2.042 -1.092 -3.391 720 HD11 LEU 95 1HD1 LEU 95 -0.266 -1.712 -4.927 721 HD12 LEU 95 2HD1 LEU 95 -1.268 -0.437 -5.620 722 HD13 LEU 95 3HD1 LEU 95 -1.454 -2.102 -6.170 723 HD21 LEU 95 1HD2 LEU 95 -3.887 -0.298 -4.405 724 HD22 LEU 95 2HD2 LEU 95 -4.412 -1.981 -4.339 725 HD23 LEU 95 3HD2 LEU 95 -3.690 -1.338 -5.816 726 H GLU 96 H GLU 96 -1.226 -5.291 -2.465 727 HA GLU 96 HA GLU 96 -2.740 -7.571 -3.046 728 HB2 GLU 96 1HB GLU 96 -0.302 -7.493 -3.281 729 HB3 GLU 96 2HB GLU 96 -0.130 -7.365 -1.536 730 HG2 GLU 96 1HG GLU 96 -1.310 -9.709 -3.008 731 HG3 GLU 96 2HG GLU 96 0.320 -9.624 -2.344 732 H ARG 97 H ARG 97 -1.390 -6.590 0.110 733 HA ARG 97 HA ARG 97 -2.432 -8.484 1.743 734 HB2 ARG 97 1HB ARG 97 -2.054 -5.534 2.164 735 HB3 ARG 97 2HB ARG 97 -2.709 -6.545 3.446 736 HG2 ARG 97 1HG ARG 97 -0.091 -7.105 2.079 737 HG3 ARG 97 2HG ARG 97 -0.239 -6.132 3.544 738 HD2 ARG 97 1HD ARG 97 0.157 -8.162 4.496 739 HD3 ARG 97 2HD ARG 97 -1.599 -8.250 4.367 740 HE ARG 97 HE ARG 97 -0.654 -9.302 2.019 741 HH11 ARG 97 2HH1 ARG 97 -0.251 -9.995 5.407 742 HH12 ARG 97 1HH1 ARG 97 -0.001 -11.692 5.164 743 HH21 ARG 97 2HH2 ARG 97 -0.325 -11.534 1.686 744 HH22 ARG 97 1HH2 ARG 97 -0.042 -12.566 3.047 745 H HIS 98 H HIS 98 -4.139 -5.546 0.688 746 HA HIS 98 HA HIS 98 -6.555 -6.118 2.031 747 HB2 HIS 98 1HB HIS 98 -5.811 -4.313 -0.252 748 HB3 HIS 98 2HB HIS 98 -7.498 -4.511 0.214 749 HD1 HIS 98 1HD HIS 98 -7.531 -1.988 0.911 750 HD2 HIS 98 2HD HIS 98 -4.937 -4.372 3.113 751 HE1 HIS 98 1HE HIS 98 -6.914 -0.623 2.931 752 HE2 HIS 98 2HE HIS 98 -5.278 -2.052 4.205 753 H GLY 99 H GLY 99 -5.413 -6.833 -1.241 754 HA2 GLY 99 1HA GLY 99 -6.109 -8.959 -2.220 755 HA3 GLY 99 2HA GLY 99 -7.696 -8.686 -1.516 756 H LEU 100 H LEU 100 -5.734 -6.294 -3.206 757 HA LEU 100 HA LEU 100 -7.908 -6.001 -5.152 758 HB2 LEU 100 1HB LEU 100 -5.603 -4.114 -4.802 759 HB3 LEU 100 2HB LEU 100 -7.183 -3.798 -5.515 760 HG LEU 100 HG LEU 100 -6.347 -3.815 -2.663 761 HD11 LEU 100 1HD1 LEU 100 -8.089 -1.963 -2.678 762 HD12 LEU 100 2HD1 LEU 100 -8.110 -2.147 -4.432 763 HD13 LEU 100 3HD1 LEU 100 -6.619 -1.686 -3.613 764 HD21 LEU 100 1HD2 LEU 100 -7.975 -5.311 -2.189 765 HD22 LEU 100 2HD2 LEU 100 -8.842 -5.014 -3.696 766 HD23 LEU 100 3HD2 LEU 100 -9.008 -3.890 -2.346 767 H ILE 101 H ILE 101 -4.748 -7.200 -4.843 768 HA ILE 101 HA ILE 101 -4.609 -7.606 -7.737 769 HB ILE 101 HB ILE 101 -2.214 -7.067 -7.791 770 HG12 ILE 101 1HG1 ILE 101 -2.503 -5.748 -5.107 771 HG13 ILE 101 2HG1 ILE 101 -2.029 -7.439 -5.224 772 HG21 ILE 101 1HG2 ILE 101 -3.174 -5.208 -8.598 773 HG22 ILE 101 2HG2 ILE 101 -4.335 -5.115 -7.275 774 HG23 ILE 101 3HG2 ILE 101 -2.700 -4.491 -7.057 775 HD11 ILE 101 1HD1 ILE 101 0.058 -6.737 -5.424 776 HD12 ILE 101 2HD1 ILE 101 -0.372 -6.108 -7.014 777 HD13 ILE 101 3HD1 ILE 101 -0.459 -5.060 -5.598 778 H ASN 102 H ASN 102 -3.633 -9.505 -8.363 779 HA ASN 102 HA ASN 102 -2.816 -11.624 -8.204 780 HB2 ASN 102 1HB ASN 102 -1.767 -10.827 -5.483 781 HB3 ASN 102 2HB ASN 102 -1.202 -12.154 -6.494 782 HD21 ASN 102 1HD2 ASN 102 0.824 -10.883 -5.924 783 HD22 ASN 102 2HD2 ASN 102 1.310 -9.679 -7.064 784 H PHE 103 H PHE 103 -5.398 -11.526 -7.776 785 HA PHE 103 HA PHE 103 -5.859 -13.219 -5.409 786 HB2 PHE 103 1HB PHE 103 -8.264 -12.356 -5.583 787 HB3 PHE 103 2HB PHE 103 -7.053 -11.230 -4.979 788 HD1 PHE 103 1HD PHE 103 -8.263 -12.290 -8.351 789 HD2 PHE 103 2HD PHE 103 -7.381 -9.084 -5.693 790 HE1 PHE 103 1HE PHE 103 -8.906 -10.674 -10.091 791 HE2 PHE 103 2HE PHE 103 -8.024 -7.463 -7.428 792 HZ PHE 103 HZ PHE 103 -8.789 -8.257 -9.631 793 H GLY 104 H GLY 104 -5.073 -14.039 -8.099 794 HA2 GLY 104 1HA GLY 104 -7.273 -15.907 -8.567 795 HA3 GLY 104 2HA GLY 104 -6.773 -14.903 -9.919 796 H ILE 105 H ILE 105 -4.287 -14.941 -10.257 797 HA ILE 105 HA ILE 105 -3.432 -17.224 -11.321 798 HB ILE 105 HB ILE 105 -1.109 -16.597 -10.893 799 HG12 ILE 105 1HG1 ILE 105 -1.408 -15.968 -8.508 800 HG13 ILE 105 2HG1 ILE 105 -0.533 -14.749 -9.429 801 HG21 ILE 105 1HG2 ILE 105 -1.453 -15.150 -12.539 802 HG22 ILE 105 2HG2 ILE 105 -3.121 -14.909 -12.024 803 HG23 ILE 105 3HG2 ILE 105 -1.835 -13.917 -11.338 804 HD11 ILE 105 1HD1 ILE 105 -3.236 -14.639 -8.217 805 HD12 ILE 105 2HD1 ILE 105 -1.961 -13.421 -8.263 806 HD13 ILE 105 3HD1 ILE 105 -2.944 -13.723 -9.695 807 H TYR 106 H TYR 106 -3.300 -16.502 -7.869 808 HA TYR 106 HA TYR 106 -2.828 -19.358 -7.366 809 HB2 TYR 106 1HB TYR 106 -1.266 -18.877 -5.603 810 HB3 TYR 106 2HB TYR 106 -0.719 -18.045 -7.054 811 HD1 TYR 106 1HD TYR 106 -2.701 -17.463 -3.947 812 HD2 TYR 106 2HD TYR 106 -0.182 -15.790 -6.940 813 HE1 TYR 106 1HE TYR 106 -2.636 -15.345 -2.700 814 HE2 TYR 106 2HE TYR 106 -0.109 -13.667 -5.700 815 HH TYR 106 HH TYR 106 -1.305 -13.373 -2.487 816 H LYS 107 H LYS 107 -4.152 -20.239 -5.900 817 HA LYS 107 HA LYS 107 -6.137 -18.524 -4.641 818 HB2 LYS 107 1HB LYS 107 -6.970 -20.488 -5.772 819 HB3 LYS 107 2HB LYS 107 -5.891 -21.529 -4.851 820 HG2 LYS 107 1HG LYS 107 -7.199 -20.451 -2.814 821 HG3 LYS 107 2HG LYS 107 -8.442 -20.249 -4.052 822 HD2 LYS 107 1HD LYS 107 -8.863 -22.342 -3.033 823 HD3 LYS 107 2HD LYS 107 -8.114 -22.701 -4.591 824 HE2 LYS 107 1HE LYS 107 -6.969 -24.111 -3.162 825 HE3 LYS 107 2HE LYS 107 -5.902 -22.710 -3.235 826 HZ1 LYS 107 1HZ LYS 107 -6.735 -23.837 -0.964 827 HZ2 LYS 107 2HZ LYS 107 -7.907 -22.631 -1.146 828 HZ3 LYS 107 3HZ LYS 107 -6.268 -22.216 -1.091 829 H ARG 108 H ARG 108 -4.532 -17.581 -3.166 830 HA ARG 108 HA ARG 108 -4.026 -19.333 -0.851 831 HB2 ARG 108 1HB ARG 108 -1.899 -18.769 -1.697 832 HB3 ARG 108 2HB ARG 108 -2.376 -17.109 -2.025 833 HG2 ARG 108 1HG ARG 108 -1.207 -16.706 -0.147 834 HG3 ARG 108 2HG ARG 108 -2.724 -17.158 0.634 835 HD2 ARG 108 1HD ARG 108 -1.866 -19.515 0.712 836 HD3 ARG 108 2HD ARG 108 -0.310 -18.896 0.159 837 HE ARG 108 HE ARG 108 -1.336 -17.591 2.514 838 HH11 ARG 108 2HH1 ARG 108 0.557 -20.238 1.278 839 HH12 ARG 108 1HH1 ARG 108 1.463 -20.444 2.740 840 HH21 ARG 108 2HH2 ARG 108 -0.151 -17.853 4.445 841 HH22 ARG 108 1HH2 ARG 108 1.059 -19.088 4.542 842 H ILE 109 H ILE 109 -4.493 -15.915 -1.751 843 HA ILE 109 HA ILE 109 -5.036 -14.887 0.756 844 HB ILE 109 HB ILE 109 -6.213 -14.067 -1.901 845 HG12 ILE 109 1HG1 ILE 109 -4.032 -12.690 -0.346 846 HG13 ILE 109 2HG1 ILE 109 -3.673 -13.996 -1.471 847 HG21 ILE 109 1HG2 ILE 109 -6.906 -13.223 0.735 848 HG22 ILE 109 2HG2 ILE 109 -6.113 -11.893 -0.107 849 HG23 ILE 109 3HG2 ILE 109 -7.537 -12.659 -0.812 850 HD11 ILE 109 1HD1 ILE 109 -5.382 -11.989 -2.660 851 HD12 ILE 109 2HD1 ILE 109 -3.865 -11.311 -2.067 852 HD13 ILE 109 3HD1 ILE 109 -3.843 -12.645 -3.219 853 H LYS 110 H LYS 110 -7.517 -15.778 -1.652 854 HA LYS 110 HA LYS 110 -9.312 -16.435 0.592 855 HB2 LYS 110 1HB LYS 110 -9.860 -15.060 -2.022 856 HB3 LYS 110 2HB LYS 110 -11.145 -15.902 -1.165 857 HG2 LYS 110 1HG LYS 110 -10.275 -14.436 0.853 858 HG3 LYS 110 2HG LYS 110 -9.712 -13.401 -0.462 859 HD2 LYS 110 1HD LYS 110 -11.871 -12.621 0.078 860 HD3 LYS 110 2HD LYS 110 -12.067 -13.565 -1.401 861 HE2 LYS 110 1HE LYS 110 -12.523 -15.514 0.316 862 HE3 LYS 110 2HE LYS 110 -12.941 -14.173 1.381 863 HZ1 LYS 110 1HZ LYS 110 -14.419 -15.283 -0.788 864 HZ2 LYS 110 2HZ LYS 110 -14.208 -13.616 -0.982 865 HZ3 LYS 110 3HZ LYS 110 -14.929 -14.219 0.425 866 HA PRO 111 HA PRO 111 -9.549 -20.510 -1.056 867 HB2 PRO 111 1HB PRO 111 -11.922 -21.273 0.021 868 HB3 PRO 111 2HB PRO 111 -10.441 -21.117 0.973 869 HG2 PRO 111 1HG PRO 111 -12.723 -19.200 0.692 870 HG3 PRO 111 2HG PRO 111 -11.834 -19.675 2.151 871 HD2 PRO 111 1HD PRO 111 -11.350 -17.355 0.841 872 HD3 PRO 111 2HD PRO 111 -10.079 -18.250 1.698 873 H LEU 112 H LEU 112 -10.729 -21.812 -2.545 874 HA LEU 112 HA LEU 112 -12.835 -20.392 -4.033 875 HB2 LEU 112 1HB LEU 112 -10.325 -21.652 -5.005 876 HB3 LEU 112 2HB LEU 112 -11.764 -21.786 -6.014 877 HG LEU 112 HG LEU 112 -10.627 -19.163 -5.058 878 HD11 LEU 112 1HD1 LEU 112 -10.338 -19.692 -7.877 879 HD12 LEU 112 2HD1 LEU 112 -9.483 -20.896 -6.913 880 HD13 LEU 112 3HD1 LEU 112 -9.131 -19.181 -6.697 881 HD21 LEU 112 1HD2 LEU 112 -12.508 -19.703 -7.342 882 HD22 LEU 112 2HD2 LEU 112 -12.101 -18.154 -6.603 883 HD23 LEU 112 3HD2 LEU 112 -13.066 -19.331 -5.711 884 HA PRO 113 HA PRO 113 -15.246 -24.054 -3.858 885 HB2 PRO 113 1HB PRO 113 -16.418 -24.101 -6.306 886 HB3 PRO 113 2HB PRO 113 -16.860 -22.936 -5.052 887 HG2 PRO 113 1HG PRO 113 -15.055 -22.584 -7.414 888 HG3 PRO 113 2HG PRO 113 -16.287 -21.482 -6.773 889 HD2 PRO 113 1HD PRO 113 -13.645 -21.159 -6.278 890 HD3 PRO 113 2HD PRO 113 -14.899 -20.695 -5.110 891 H THR 114 H THR 114 -12.488 -23.925 -5.628 892 HA THR 114 HA THR 114 -12.447 -25.899 -7.492 893 HB THR 114 HB THR 114 -10.098 -26.419 -6.737 894 HG1 THR 114 1HG THR 114 -10.970 -25.404 -4.470 895 HG21 THR 114 1HG2 THR 114 -10.126 -23.490 -6.744 896 HG22 THR 114 2HG2 THR 114 -11.096 -24.218 -8.025 897 HG23 THR 114 3HG2 THR 114 -9.385 -24.619 -7.878 898 H LYS 115 H LYS 115 -11.478 -28.140 -7.284 899 HA LYS 115 HA LYS 115 -13.103 -29.954 -6.209 900 HB2 LYS 115 1HB LYS 115 -11.343 -31.564 -6.245 901 HB3 LYS 115 2HB LYS 115 -11.016 -30.417 -7.538 902 HG2 LYS 115 1HG LYS 115 -9.768 -29.924 -4.890 903 HG3 LYS 115 2HG LYS 115 -9.129 -31.233 -5.887 904 HD2 LYS 115 1HD LYS 115 -9.568 -28.488 -7.017 905 HD3 LYS 115 2HD LYS 115 -8.093 -28.888 -6.134 906 HE2 LYS 115 1HE LYS 115 -7.582 -30.650 -7.696 907 HE3 LYS 115 2HE LYS 115 -9.122 -30.416 -8.522 908 HZ1 LYS 115 1HZ LYS 115 -7.291 -28.138 -8.311 909 HZ2 LYS 115 2HZ LYS 115 -8.401 -28.518 -9.529 910 HZ3 LYS 115 3HZ LYS 115 -6.932 -29.352 -9.433 911 H LYS 116 H LYS 116 -13.404 -31.084 -4.289 912 HA LYS 116 HA LYS 116 -13.371 -29.712 -1.918 913 HB2 LYS 116 1HB LYS 116 -13.225 -32.695 -2.373 914 HB3 LYS 116 2HB LYS 116 -13.538 -31.961 -0.806 915 HG2 LYS 116 1HG LYS 116 -15.489 -30.773 -1.998 916 HG3 LYS 116 2HG LYS 116 -15.266 -32.001 -3.247 917 HD2 LYS 116 1HD LYS 116 -16.775 -33.098 -1.942 918 HD3 LYS 116 2HD LYS 116 -15.294 -33.604 -1.125 919 HE2 LYS 116 1HE LYS 116 -16.595 -31.077 -0.249 920 HE3 LYS 116 2HE LYS 116 -17.351 -32.603 0.206 921 HZ1 LYS 116 1HZ LYS 116 -15.819 -31.861 1.904 922 HZ2 LYS 116 2HZ LYS 116 -14.549 -31.809 0.788 923 HZ3 LYS 116 3HZ LYS 116 -15.251 -33.292 1.202 924 H THR 117 H THR 117 -11.820 -29.014 -0.618 925 HA THR 117 HA THR 117 -9.089 -29.790 -1.002 926 HB THR 117 HB THR 117 -9.687 -27.483 -0.384 927 HG1 THR 117 1HG THR 117 -8.251 -28.253 1.854 928 HG21 THR 117 1HG2 THR 117 -10.222 -28.415 2.414 929 HG22 THR 117 2HG2 THR 117 -11.529 -28.333 1.233 930 HG23 THR 117 3HG2 THR 117 -10.629 -26.877 1.655 931 H GLY 118 H GLY 118 -7.680 -30.529 0.763 932 HA2 GLY 118 1HA GLY 118 -8.824 -32.828 2.058 933 HA3 GLY 118 2HA GLY 118 -7.144 -32.316 2.131 934 H SER 119 H SER 119 -6.417 -31.316 3.919 935 HA SER 119 HA SER 119 -8.352 -30.213 5.818 936 HB2 SER 119 1HB SER 119 -7.865 -32.615 6.421 937 HB3 SER 119 2HB SER 119 -6.187 -32.139 6.686 938 HG SER 119 HG SER 119 -8.348 -31.807 8.292 939 H GLY 120 H GLY 120 -7.716 -28.263 6.447 940 HA2 GLY 120 1HA GLY 120 -5.090 -27.292 5.800 941 HA3 GLY 120 2HA GLY 120 -6.373 -26.386 6.588 942 HA PRO 121 HA PRO 121 -3.993 -26.579 10.280 943 HB2 PRO 121 1HB PRO 121 -5.954 -26.006 12.069 944 HB3 PRO 121 2HB PRO 121 -5.244 -24.791 10.999 945 HG2 PRO 121 1HG PRO 121 -7.811 -26.303 10.708 946 HG3 PRO 121 2HG PRO 121 -7.486 -24.585 10.416 947 HD2 PRO 121 1HD PRO 121 -7.637 -26.400 8.413 948 HD3 PRO 121 2HD PRO 121 -6.571 -24.982 8.338 949 H SER 122 H SER 122 -3.456 -28.781 10.374 950 HA SER 122 HA SER 122 -5.384 -30.578 11.656 951 HB2 SER 122 1HB SER 122 -3.824 -32.383 10.988 952 HB3 SER 122 2HB SER 122 -4.348 -31.417 9.608 953 HG SER 122 HG SER 122 -2.091 -31.788 9.586 954 H SER 123 H SER 123 -5.309 -30.214 13.809 955 HA SER 123 HA SER 123 -2.722 -30.658 15.133 956 HB2 SER 123 1HB SER 123 -4.717 -28.465 15.680 957 HB3 SER 123 2HB SER 123 -3.547 -28.983 16.894 958 HG SER 123 HG SER 123 -1.984 -28.626 15.035 959 H GLY 124 H GLY 124 -3.001 -31.230 17.478 960 HA2 GLY 124 1HA GLY 124 -4.202 -32.246 19.224 961 HA3 GLY 124 2HA GLY 124 -5.579 -32.420 18.146 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.947 -14.862 -39.239 2 HA2 GLY 1 1HA GLY 1 -13.477 -14.775 -36.724 3 HA3 GLY 1 2HA GLY 1 -12.200 -13.707 -37.288 4 H SER 2 H SER 2 -14.213 -13.524 -35.056 5 HA SER 2 HA SER 2 -15.361 -10.914 -35.805 6 HB2 SER 2 1HB SER 2 -17.145 -11.341 -34.158 7 HB3 SER 2 2HB SER 2 -17.116 -12.582 -35.410 8 HG SER 2 HG SER 2 -16.113 -12.767 -32.765 9 H SER 3 H SER 3 -14.628 -9.218 -34.714 10 HA SER 3 HA SER 3 -13.720 -9.516 -31.962 11 HB2 SER 3 1HB SER 3 -11.950 -8.550 -34.213 12 HB3 SER 3 2HB SER 3 -11.609 -8.225 -32.514 13 HG SER 3 HG SER 3 -10.962 -10.214 -32.273 14 H GLY 4 H GLY 4 -14.419 -7.866 -30.770 15 HA2 GLY 4 1HA GLY 4 -14.899 -5.278 -32.099 16 HA3 GLY 4 2HA GLY 4 -16.140 -6.003 -31.088 17 H SER 5 H SER 5 -15.005 -3.445 -30.669 18 HA SER 5 HA SER 5 -13.049 -3.630 -28.568 19 HB2 SER 5 1HB SER 5 -13.435 -1.676 -30.239 20 HB3 SER 5 2HB SER 5 -14.706 -1.182 -29.120 21 HG SER 5 HG SER 5 -13.242 -0.684 -27.644 22 H SER 6 H SER 6 -13.426 -2.712 -26.404 23 HA SER 6 HA SER 6 -15.518 -4.008 -25.075 24 HB2 SER 6 1HB SER 6 -13.820 -1.673 -24.162 25 HB3 SER 6 2HB SER 6 -14.850 -2.642 -23.107 26 HG SER 6 HG SER 6 -12.609 -3.533 -24.604 27 H GLY 7 H GLY 7 -15.148 -0.590 -25.981 28 HA2 GLY 7 1HA GLY 7 -17.581 0.092 -26.794 29 HA3 GLY 7 2HA GLY 7 -17.858 -0.021 -25.062 30 H GLU 8 H GLU 8 -16.307 1.278 -23.692 31 HA GLU 8 HA GLU 8 -16.214 3.966 -24.773 32 HB2 GLU 8 1HB GLU 8 -15.864 2.775 -22.041 33 HB3 GLU 8 2HB GLU 8 -15.348 4.426 -22.360 34 HG2 GLU 8 1HG GLU 8 -18.131 3.395 -22.852 35 HG3 GLU 8 2HG GLU 8 -17.621 4.238 -21.390 36 H GLU 9 H GLU 9 -14.200 5.280 -23.887 37 HA GLU 9 HA GLU 9 -11.863 3.952 -25.042 38 HB2 GLU 9 1HB GLU 9 -12.229 6.034 -26.072 39 HB3 GLU 9 2HB GLU 9 -12.583 6.827 -24.544 40 HG2 GLU 9 1HG GLU 9 -10.385 7.093 -24.006 41 HG3 GLU 9 2HG GLU 9 -9.874 5.678 -24.926 42 HA PRO 10 HA PRO 10 -10.602 3.395 -20.742 43 HB2 PRO 10 1HB PRO 10 -8.637 1.614 -21.325 44 HB3 PRO 10 2HB PRO 10 -10.343 1.162 -21.217 45 HG2 PRO 10 1HG PRO 10 -8.686 1.736 -23.643 46 HG3 PRO 10 2HG PRO 10 -9.869 0.442 -23.377 47 HD2 PRO 10 1HD PRO 10 -10.454 2.686 -24.776 48 HD3 PRO 10 2HD PRO 10 -11.664 1.824 -23.803 49 H SER 11 H SER 11 -9.065 4.442 -19.605 50 HA SER 11 HA SER 11 -7.035 5.910 -21.112 51 HB2 SER 11 1HB SER 11 -8.082 6.208 -18.292 52 HB3 SER 11 2HB SER 11 -6.740 7.155 -18.935 53 HG SER 11 HG SER 11 -9.257 7.043 -20.218 54 H GLY 12 H GLY 12 -4.883 6.203 -19.974 55 HA2 GLY 12 1HA GLY 12 -3.778 3.586 -19.490 56 HA3 GLY 12 2HA GLY 12 -2.889 5.100 -19.554 57 H VAL 13 H VAL 13 -1.797 5.325 -17.720 58 HA VAL 13 HA VAL 13 -2.153 4.089 -15.322 59 HB VAL 13 HB VAL 13 -1.181 6.924 -15.709 60 HG11 VAL 13 1HG1 VAL 13 -0.113 5.294 -13.510 61 HG12 VAL 13 2HG1 VAL 13 -0.549 7.004 -13.551 62 HG13 VAL 13 3HG1 VAL 13 -1.799 5.778 -13.332 63 HG21 VAL 13 1HG2 VAL 13 -0.052 5.046 -17.007 64 HG22 VAL 13 2HG2 VAL 13 0.984 6.049 -15.993 65 HG23 VAL 13 3HG2 VAL 13 0.498 4.445 -15.443 66 H GLU 14 H GLU 14 -3.685 7.098 -16.385 67 HA GLU 14 HA GLU 14 -5.099 7.430 -13.892 68 HB2 GLU 14 1HB GLU 14 -5.556 8.876 -16.504 69 HB3 GLU 14 2HB GLU 14 -6.074 9.389 -14.904 70 HG2 GLU 14 1HG GLU 14 -3.659 9.531 -14.266 71 HG3 GLU 14 2HG GLU 14 -3.264 9.246 -15.959 72 H GLY 15 H GLY 15 -5.642 4.929 -14.924 73 HA2 GLY 15 1HA GLY 15 -8.524 5.168 -15.379 74 HA3 GLY 15 2HA GLY 15 -7.589 4.259 -16.557 75 H ALA 16 H ALA 16 -5.755 3.116 -14.655 76 HA ALA 16 HA ALA 16 -7.156 0.780 -13.981 77 HB1 ALA 16 1HB ALA 16 -4.928 0.785 -12.341 78 HB2 ALA 16 2HB ALA 16 -5.024 0.137 -13.979 79 HB3 ALA 16 3HB ALA 16 -4.449 1.783 -13.714 80 H ALA 17 H ALA 17 -5.775 3.233 -11.782 81 HA ALA 17 HA ALA 17 -6.635 2.383 -9.373 82 HB1 ALA 17 1HB ALA 17 -5.719 4.799 -10.392 83 HB2 ALA 17 2HB ALA 17 -7.246 5.198 -9.603 84 HB3 ALA 17 3HB ALA 17 -5.967 4.393 -8.694 85 H PHE 18 H PHE 18 -8.627 4.158 -11.716 86 HA PHE 18 HA PHE 18 -10.929 4.529 -10.281 87 HB2 PHE 18 1HB PHE 18 -11.096 5.453 -12.375 88 HB3 PHE 18 2HB PHE 18 -10.352 4.066 -13.164 89 HD1 PHE 18 1HD PHE 18 -11.697 2.026 -13.591 90 HD2 PHE 18 2HD PHE 18 -13.441 5.634 -12.156 91 HE1 PHE 18 1HE PHE 18 -13.919 1.219 -14.274 92 HE2 PHE 18 2HE PHE 18 -15.666 4.833 -12.836 93 HZ PHE 18 HZ PHE 18 -15.908 2.623 -13.895 94 H GLN 19 H GLN 19 -9.904 1.591 -11.971 95 HA GLN 19 HA GLN 19 -12.102 0.003 -11.810 96 HB2 GLN 19 1HB GLN 19 -10.686 -1.867 -11.927 97 HB3 GLN 19 2HB GLN 19 -9.760 -0.570 -12.669 98 HG2 GLN 19 1HG GLN 19 -8.156 -1.460 -11.338 99 HG3 GLN 19 2HG GLN 19 -8.844 -0.289 -10.214 100 HE21 GLN 19 1HE2 GLN 19 -8.001 -1.596 -8.517 101 HE22 GLN 19 2HE2 GLN 19 -8.835 -3.022 -8.012 102 H SER 20 H SER 20 -10.049 1.018 -9.172 103 HA SER 20 HA SER 20 -11.529 -0.679 -7.297 104 HB2 SER 20 1HB SER 20 -8.908 -0.342 -7.379 105 HB3 SER 20 2HB SER 20 -9.284 1.097 -6.431 106 HG SER 20 HG SER 20 -10.169 -0.177 -4.855 107 H ARG 21 H ARG 21 -12.835 1.555 -8.532 108 HA ARG 21 HA ARG 21 -13.858 3.577 -8.065 109 HB2 ARG 21 1HB ARG 21 -14.452 1.853 -5.656 110 HB3 ARG 21 2HB ARG 21 -15.304 3.347 -6.026 111 HG2 ARG 21 1HG ARG 21 -15.165 1.134 -8.033 112 HG3 ARG 21 2HG ARG 21 -16.352 1.104 -6.727 113 HD2 ARG 21 1HD ARG 21 -16.009 3.401 -8.647 114 HD3 ARG 21 2HD ARG 21 -17.179 2.099 -8.866 115 HE ARG 21 HE ARG 21 -17.367 3.450 -6.328 116 HH11 ARG 21 2HH1 ARG 21 -18.398 3.402 -9.652 117 HH12 ARG 21 1HH1 ARG 21 -19.852 4.295 -9.351 118 HH21 ARG 21 2HH2 ARG 21 -19.278 4.626 -5.918 119 HH22 ARG 21 1HH2 ARG 21 -20.351 4.991 -7.226 120 H LEU 22 H LEU 22 -11.200 3.939 -7.541 121 HA LEU 22 HA LEU 22 -11.280 5.632 -5.136 122 HB2 LEU 22 1HB LEU 22 -9.178 4.969 -4.433 123 HB3 LEU 22 2HB LEU 22 -9.920 3.459 -4.959 124 HG LEU 22 HG LEU 22 -8.669 4.026 -7.212 125 HD11 LEU 22 1HD1 LEU 22 -6.970 5.490 -7.144 126 HD12 LEU 22 2HD1 LEU 22 -6.531 5.063 -5.491 127 HD13 LEU 22 3HD1 LEU 22 -7.859 6.185 -5.788 128 HD21 LEU 22 1HD2 LEU 22 -8.175 2.391 -4.967 129 HD22 LEU 22 2HD2 LEU 22 -6.623 3.063 -5.469 130 HD23 LEU 22 3HD2 LEU 22 -7.613 2.167 -6.623 131 HA PRO 23 HA PRO 23 -10.042 8.862 -7.862 132 HB2 PRO 23 1HB PRO 23 -9.029 10.590 -6.030 133 HB3 PRO 23 2HB PRO 23 -10.762 10.308 -6.229 134 HG2 PRO 23 1HG PRO 23 -8.878 9.166 -4.203 135 HG3 PRO 23 2HG PRO 23 -10.523 9.788 -3.975 136 HD2 PRO 23 1HD PRO 23 -9.977 7.141 -4.143 137 HD3 PRO 23 2HD PRO 23 -11.499 7.841 -4.731 138 H HIS 24 H HIS 24 -8.295 9.170 -9.098 139 HA HIS 24 HA HIS 24 -5.746 8.077 -8.243 140 HB2 HIS 24 1HB HIS 24 -5.082 8.747 -10.629 141 HB3 HIS 24 2HB HIS 24 -6.290 7.477 -10.454 142 HD1 HIS 24 1HD HIS 24 -8.601 7.919 -11.400 143 HD2 HIS 24 2HD HIS 24 -6.108 11.239 -11.560 144 HE1 HIS 24 1HE HIS 24 -9.808 9.598 -12.830 145 HE2 HIS 24 2HE HIS 24 -8.243 11.565 -12.983 146 H ASP 25 H ASP 25 -7.290 11.072 -8.216 147 HA ASP 25 HA ASP 25 -4.839 12.629 -8.432 148 HB2 ASP 25 1HB ASP 25 -7.040 13.395 -9.415 149 HB3 ASP 25 2HB ASP 25 -7.608 13.634 -7.765 150 H ARG 26 H ARG 26 -6.950 11.317 -6.021 151 HA ARG 26 HA ARG 26 -5.227 12.468 -3.939 152 HB2 ARG 26 1HB ARG 26 -7.242 12.721 -2.485 153 HB3 ARG 26 2HB ARG 26 -7.217 13.807 -3.868 154 HG2 ARG 26 1HG ARG 26 -8.993 12.801 -4.870 155 HG3 ARG 26 2HG ARG 26 -8.629 11.219 -4.178 156 HD2 ARG 26 1HD ARG 26 -10.482 11.760 -2.957 157 HD3 ARG 26 2HD ARG 26 -9.230 12.451 -1.925 158 HE ARG 26 HE ARG 26 -9.847 14.532 -3.480 159 HH11 ARG 26 2HH1 ARG 26 -11.862 12.282 -1.750 160 HH12 ARG 26 1HH1 ARG 26 -13.140 13.423 -1.493 161 HH21 ARG 26 2HH2 ARG 26 -11.522 16.043 -3.149 162 HH22 ARG 26 1HH2 ARG 26 -12.946 15.562 -2.290 163 H MET 27 H MET 27 -5.618 11.301 -1.788 164 HA MET 27 HA MET 27 -5.580 8.433 -2.344 165 HB2 MET 27 1HB MET 27 -4.875 9.807 0.248 166 HB3 MET 27 2HB MET 27 -4.452 8.175 -0.251 167 HG2 MET 27 1HG MET 27 -2.824 8.906 -1.724 168 HG3 MET 27 2HG MET 27 -3.504 10.528 -1.825 169 HE1 MET 27 1HE MET 27 -2.856 8.197 1.077 170 HE2 MET 27 2HE MET 27 -1.166 8.141 0.577 171 HE3 MET 27 3HE MET 27 -1.620 8.987 2.057 172 H THR 28 H THR 28 -6.626 6.952 -0.817 173 HA THR 28 HA THR 28 -9.280 7.948 -0.103 174 HB THR 28 HB THR 28 -9.715 5.438 0.286 175 HG1 THR 28 1HG THR 28 -7.405 4.928 0.239 176 HG21 THR 28 1HG2 THR 28 -10.786 6.129 -1.597 177 HG22 THR 28 2HG2 THR 28 -9.552 5.136 -2.373 178 HG23 THR 28 3HG2 THR 28 -9.343 6.884 -2.271 179 H SER 29 H SER 29 -10.212 7.610 1.935 180 HA SER 29 HA SER 29 -8.948 8.280 4.170 181 HB2 SER 29 1HB SER 29 -11.063 6.123 3.984 182 HB3 SER 29 2HB SER 29 -10.587 6.925 5.481 183 HG SER 29 HG SER 29 -11.695 8.165 3.179 184 H GLN 30 H GLN 30 -8.987 4.984 2.885 185 HA GLN 30 HA GLN 30 -7.589 3.761 4.995 186 HB2 GLN 30 1HB GLN 30 -8.201 3.077 2.169 187 HB3 GLN 30 2HB GLN 30 -6.895 2.189 2.943 188 HG2 GLN 30 1HG GLN 30 -8.610 0.823 3.486 189 HG3 GLN 30 2HG GLN 30 -8.711 1.930 4.854 190 HE21 GLN 30 1HE2 GLN 30 -9.802 1.970 1.474 191 HE22 GLN 30 2HE2 GLN 30 -11.437 2.398 1.829 192 H GLU 31 H GLU 31 -6.388 4.868 1.823 193 HA GLU 31 HA GLU 31 -3.679 4.370 2.325 194 HB2 GLU 31 1HB GLU 31 -4.969 6.402 0.497 195 HB3 GLU 31 2HB GLU 31 -3.259 5.992 0.475 196 HG2 GLU 31 1HG GLU 31 -5.373 3.904 0.104 197 HG3 GLU 31 2HG GLU 31 -4.789 4.882 -1.241 198 H ALA 32 H ALA 32 -5.734 7.061 3.173 199 HA ALA 32 HA ALA 32 -3.636 8.866 3.863 200 HB1 ALA 32 1HB ALA 32 -6.522 8.877 3.851 201 HB2 ALA 32 2HB ALA 32 -5.885 9.616 5.320 202 HB3 ALA 32 3HB ALA 32 -5.391 10.225 3.741 203 H ALA 33 H ALA 33 -5.170 6.220 5.457 204 HA ALA 33 HA ALA 33 -4.309 7.040 8.106 205 HB1 ALA 33 1HB ALA 33 -6.105 5.017 6.998 206 HB2 ALA 33 2HB ALA 33 -5.152 4.455 8.372 207 HB3 ALA 33 3HB ALA 33 -6.176 5.882 8.534 208 H CYS 34 H CYS 34 -3.461 4.630 5.664 209 HA CYS 34 HA CYS 34 -1.428 3.412 7.282 210 HB2 CYS 34 1HB CYS 34 -2.350 3.126 4.449 211 HB3 CYS 34 2HB CYS 34 -0.794 2.452 4.917 212 HG CYS 34 HG CYS 34 -3.718 1.108 5.215 213 H PHE 35 H PHE 35 -1.477 5.693 4.573 214 HA PHE 35 HA PHE 35 1.385 6.208 5.039 215 HB2 PHE 35 1HB PHE 35 -0.176 6.927 2.557 216 HB3 PHE 35 2HB PHE 35 1.572 6.920 2.764 217 HD1 PHE 35 2HD PHE 35 -1.376 4.652 2.833 218 HD2 PHE 35 1HD PHE 35 2.797 5.075 2.109 219 HE1 PHE 35 2HE PHE 35 -1.291 2.341 1.994 220 HE2 PHE 35 1HE PHE 35 2.889 2.764 1.268 221 HZ PHE 35 HZ PHE 35 0.843 1.394 1.211 222 HA PRO 36 HA PRO 36 -0.713 9.969 6.639 223 HB2 PRO 36 1HB PRO 36 1.141 10.434 8.567 224 HB3 PRO 36 2HB PRO 36 -0.218 9.325 8.788 225 HG2 PRO 36 1HG PRO 36 2.629 8.718 8.089 226 HG3 PRO 36 2HG PRO 36 1.556 7.887 9.231 227 HD2 PRO 36 1HD PRO 36 2.048 6.941 6.742 228 HD3 PRO 36 2HD PRO 36 0.492 6.703 7.563 229 H ASP 37 H ASP 37 2.770 9.450 6.132 230 HA ASP 37 HA ASP 37 3.493 12.140 5.829 231 HB2 ASP 37 1HB ASP 37 4.761 9.696 4.573 232 HB3 ASP 37 2HB ASP 37 5.514 11.282 4.714 233 H ILE 38 H ILE 38 2.259 9.786 3.524 234 HA ILE 38 HA ILE 38 2.708 11.339 1.195 235 HB ILE 38 HB ILE 38 0.663 9.164 1.656 236 HG12 ILE 38 1HG1 ILE 38 2.855 8.278 2.052 237 HG13 ILE 38 2HG1 ILE 38 2.363 7.755 0.445 238 HG21 ILE 38 1HG2 ILE 38 0.497 10.845 -0.353 239 HG22 ILE 38 2HG2 ILE 38 1.787 9.845 -1.017 240 HG23 ILE 38 3HG2 ILE 38 0.236 9.118 -0.597 241 HD11 ILE 38 1HD1 ILE 38 4.663 8.426 0.402 242 HD12 ILE 38 2HD1 ILE 38 3.707 9.593 -0.513 243 HD13 ILE 38 3HD1 ILE 38 4.263 9.989 1.114 244 H ILE 39 H ILE 39 -0.265 10.730 3.069 245 HA ILE 39 HA ILE 39 -1.898 12.505 1.635 246 HB ILE 39 HB ILE 39 -2.792 10.778 3.144 247 HG12 ILE 39 1HG1 ILE 39 -4.511 12.258 4.281 248 HG13 ILE 39 2HG1 ILE 39 -3.585 13.639 3.705 249 HG21 ILE 39 1HG2 ILE 39 -1.732 12.571 5.324 250 HG22 ILE 39 2HG2 ILE 39 -2.835 11.219 5.580 251 HG23 ILE 39 3HG2 ILE 39 -1.211 10.927 4.956 252 HD11 ILE 39 1HD1 ILE 39 -5.295 11.742 2.212 253 HD12 ILE 39 2HD1 ILE 39 -5.106 13.486 2.034 254 HD13 ILE 39 3HD1 ILE 39 -3.879 12.396 1.389 255 H SER 40 H SER 40 0.280 12.995 4.337 256 HA SER 40 HA SER 40 -0.485 15.831 4.444 257 HB2 SER 40 1HB SER 40 -0.529 14.525 6.578 258 HB3 SER 40 2HB SER 40 1.210 14.280 6.415 259 HG SER 40 HG SER 40 1.525 16.469 6.635 260 H GLY 41 H GLY 41 1.100 14.794 2.290 261 HA2 GLY 41 1HA GLY 41 3.680 16.122 2.857 262 HA3 GLY 41 2HA GLY 41 3.515 14.763 1.755 263 HA PRO 42 HA PRO 42 3.310 18.825 -0.583 264 HB2 PRO 42 1HB PRO 42 5.420 18.321 -2.216 265 HB3 PRO 42 2HB PRO 42 5.590 19.104 -0.640 266 HG2 PRO 42 1HG PRO 42 6.053 16.244 -1.394 267 HG3 PRO 42 2HG PRO 42 7.027 17.298 -0.353 268 HD2 PRO 42 1HD PRO 42 5.305 15.459 0.639 269 HD3 PRO 42 2HD PRO 42 5.642 16.995 1.464 270 H GLN 43 H GLN 43 2.346 19.049 -2.564 271 HA GLN 43 HA GLN 43 0.775 17.198 -3.683 272 HB2 GLN 43 1HB GLN 43 1.288 19.696 -4.362 273 HB3 GLN 43 2HB GLN 43 2.268 18.931 -5.605 274 HG2 GLN 43 1HG GLN 43 0.364 17.788 -6.494 275 HG3 GLN 43 2HG GLN 43 -0.645 18.336 -5.157 276 HE21 GLN 43 1HE2 GLN 43 -1.651 18.842 -7.507 277 HE22 GLN 43 2HE2 GLN 43 -1.467 20.498 -7.964 278 H GLN 44 H GLN 44 4.163 17.707 -4.630 279 HA GLN 44 HA GLN 44 4.378 15.851 -6.652 280 HB2 GLN 44 1HB GLN 44 6.138 17.484 -5.725 281 HB3 GLN 44 2HB GLN 44 6.546 16.200 -4.595 282 HG2 GLN 44 1HG GLN 44 6.960 14.707 -6.538 283 HG3 GLN 44 2HG GLN 44 6.706 16.094 -7.597 284 HE21 GLN 44 1HE2 GLN 44 9.065 14.606 -7.529 285 HE22 GLN 44 2HE2 GLN 44 10.336 15.616 -6.939 286 H THR 45 H THR 45 5.255 15.237 -3.246 287 HA THR 45 HA THR 45 5.726 12.545 -3.378 288 HB THR 45 HB THR 45 4.398 14.076 -1.136 289 HG1 THR 45 1HG THR 45 7.062 13.138 -1.190 290 HG21 THR 45 1HG2 THR 45 4.560 11.299 -1.422 291 HG22 THR 45 2HG2 THR 45 4.214 12.199 0.056 292 HG23 THR 45 3HG2 THR 45 5.871 11.731 -0.326 293 H GLN 46 H GLN 46 2.579 14.042 -2.609 294 HA GLN 46 HA GLN 46 1.041 11.779 -2.382 295 HB2 GLN 46 1HB GLN 46 0.366 14.499 -3.488 296 HB3 GLN 46 2HB GLN 46 -0.848 13.242 -3.292 297 HG2 GLN 46 1HG GLN 46 -0.382 13.156 -0.900 298 HG3 GLN 46 2HG GLN 46 0.845 14.407 -1.093 299 HE21 GLN 46 1HE2 GLN 46 -1.084 14.876 0.680 300 HE22 GLN 46 2HE2 GLN 46 -2.202 16.056 0.095 301 H LYS 47 H LYS 47 1.830 13.550 -5.357 302 HA LYS 47 HA LYS 47 0.345 11.927 -7.111 303 HB2 LYS 47 1HB LYS 47 2.806 13.614 -7.592 304 HB3 LYS 47 2HB LYS 47 1.868 12.860 -8.873 305 HG2 LYS 47 1HG LYS 47 -0.112 14.152 -7.680 306 HG3 LYS 47 2HG LYS 47 1.218 15.191 -7.162 307 HD2 LYS 47 1HD LYS 47 0.923 14.393 -10.036 308 HD3 LYS 47 2HD LYS 47 -0.006 15.739 -9.372 309 HE2 LYS 47 1HE LYS 47 1.847 16.851 -10.130 310 HE3 LYS 47 2HE LYS 47 2.347 16.494 -8.477 311 HZ1 LYS 47 1HZ LYS 47 3.119 15.026 -10.937 312 HZ2 LYS 47 2HZ LYS 47 3.465 14.483 -9.374 313 HZ3 LYS 47 3HZ LYS 47 4.127 15.937 -9.930 314 H VAL 48 H VAL 48 3.819 11.873 -6.314 315 HA VAL 48 HA VAL 48 4.618 9.752 -7.877 316 HB VAL 48 HB VAL 48 5.570 10.414 -5.087 317 HG11 VAL 48 1HG1 VAL 48 6.893 8.637 -5.218 318 HG12 VAL 48 2HG1 VAL 48 6.223 8.231 -6.799 319 HG13 VAL 48 3HG1 VAL 48 7.622 9.300 -6.680 320 HG21 VAL 48 1HG2 VAL 48 7.488 11.289 -6.798 321 HG22 VAL 48 2HG2 VAL 48 6.027 11.602 -7.734 322 HG23 VAL 48 3HG2 VAL 48 6.211 12.303 -6.126 323 H PHE 49 H PHE 49 3.079 9.670 -4.696 324 HA PHE 49 HA PHE 49 3.207 6.794 -4.532 325 HB2 PHE 49 1HB PHE 49 3.261 7.686 -2.408 326 HB3 PHE 49 2HB PHE 49 2.148 8.990 -2.811 327 HD1 PHE 49 1HD PHE 49 -0.304 8.325 -3.245 328 HD2 PHE 49 2HD PHE 49 2.508 5.840 -1.237 329 HE1 PHE 49 1HE PHE 49 -2.153 7.067 -2.220 330 HE2 PHE 49 2HE PHE 49 0.664 4.577 -0.210 331 HZ PHE 49 HZ PHE 49 -1.671 5.189 -0.701 332 H LEU 50 H LEU 50 0.864 9.225 -5.462 333 HA LEU 50 HA LEU 50 -1.396 7.502 -5.522 334 HB2 LEU 50 1HB LEU 50 -0.747 10.225 -6.502 335 HB3 LEU 50 2HB LEU 50 -2.124 9.404 -7.235 336 HG LEU 50 HG LEU 50 -1.839 9.835 -4.267 337 HD11 LEU 50 1HD1 LEU 50 -3.155 11.769 -4.421 338 HD12 LEU 50 2HD1 LEU 50 -3.558 11.466 -6.111 339 HD13 LEU 50 3HD1 LEU 50 -1.923 11.957 -5.669 340 HD21 LEU 50 1HD2 LEU 50 -3.812 8.800 -4.054 341 HD22 LEU 50 2HD2 LEU 50 -3.473 8.139 -5.654 342 HD23 LEU 50 3HD2 LEU 50 -4.482 9.577 -5.489 343 H PHE 51 H PHE 51 1.292 7.896 -7.578 344 HA PHE 51 HA PHE 51 -0.087 6.776 -9.897 345 HB2 PHE 51 1HB PHE 51 1.390 8.576 -10.438 346 HB3 PHE 51 2HB PHE 51 2.701 7.865 -9.504 347 HD1 PHE 51 1HD PHE 51 3.524 5.530 -10.299 348 HD2 PHE 51 2HD PHE 51 1.303 8.239 -12.716 349 HE1 PHE 51 1HE PHE 51 4.353 4.400 -12.321 350 HE2 PHE 51 2HE PHE 51 2.128 7.113 -14.742 351 HZ PHE 51 HZ PHE 51 3.654 5.190 -14.546 352 H ILE 52 H ILE 52 2.118 5.888 -7.367 353 HA ILE 52 HA ILE 52 3.204 3.558 -8.532 354 HB ILE 52 HB ILE 52 2.831 4.374 -5.656 355 HG12 ILE 52 1HG1 ILE 52 5.424 3.992 -7.126 356 HG13 ILE 52 2HG1 ILE 52 4.508 5.485 -7.305 357 HG21 ILE 52 1HG2 ILE 52 4.111 1.886 -6.766 358 HG22 ILE 52 2HG2 ILE 52 4.404 2.491 -5.136 359 HG23 ILE 52 3HG2 ILE 52 2.780 1.996 -5.615 360 HD11 ILE 52 1HD1 ILE 52 5.042 4.548 -4.552 361 HD12 ILE 52 2HD1 ILE 52 6.404 5.178 -5.480 362 HD13 ILE 52 3HD1 ILE 52 4.982 6.185 -5.207 363 H ARG 53 H ARG 53 0.318 4.121 -6.569 364 HA ARG 53 HA ARG 53 -0.391 1.404 -6.247 365 HB2 ARG 53 1HB ARG 53 -2.390 2.176 -5.318 366 HB3 ARG 53 2HB ARG 53 -1.259 3.480 -4.985 367 HG2 ARG 53 1HG ARG 53 -2.212 4.885 -6.558 368 HG3 ARG 53 2HG ARG 53 -2.964 3.553 -7.437 369 HD2 ARG 53 1HD ARG 53 -4.808 4.322 -6.361 370 HD3 ARG 53 2HD ARG 53 -4.204 3.246 -5.101 371 HE ARG 53 HE ARG 53 -3.239 5.966 -4.953 372 HH11 ARG 53 2HH1 ARG 53 -5.676 3.688 -3.957 373 HH12 ARG 53 1HH1 ARG 53 -6.130 4.591 -2.550 374 HH21 ARG 53 2HH2 ARG 53 -3.828 7.164 -3.103 375 HH22 ARG 53 1HH2 ARG 53 -5.079 6.568 -2.066 376 H ASN 54 H ASN 54 -1.056 3.780 -8.745 377 HA ASN 54 HA ASN 54 -3.036 2.253 -10.104 378 HB2 ASN 54 1HB ASN 54 -1.261 4.451 -11.190 379 HB3 ASN 54 2HB ASN 54 -2.752 3.861 -11.920 380 HD21 ASN 54 1HD2 ASN 54 -2.269 6.534 -11.238 381 HD22 ASN 54 2HD2 ASN 54 -3.378 6.984 -9.991 382 H ARG 55 H ARG 55 0.343 2.993 -10.990 383 HA ARG 55 HA ARG 55 0.607 1.358 -13.172 384 HB2 ARG 55 1HB ARG 55 2.308 2.955 -11.949 385 HB3 ARG 55 2HB ARG 55 2.852 1.460 -11.200 386 HG2 ARG 55 1HG ARG 55 4.247 1.734 -13.046 387 HG3 ARG 55 2HG ARG 55 3.054 0.546 -13.573 388 HD2 ARG 55 1HD ARG 55 1.953 2.073 -14.937 389 HD3 ARG 55 2HD ARG 55 2.624 3.463 -14.085 390 HE ARG 55 HE ARG 55 4.489 3.347 -15.420 391 HH11 ARG 55 2HH1 ARG 55 2.617 0.433 -15.779 392 HH12 ARG 55 1HH1 ARG 55 3.542 -0.151 -17.122 393 HH21 ARG 55 2HH2 ARG 55 5.714 2.589 -17.188 394 HH22 ARG 55 1HH2 ARG 55 5.304 1.076 -17.923 395 H THR 56 H THR 56 0.900 0.463 -9.764 396 HA THR 56 HA THR 56 1.775 -2.174 -10.115 397 HB THR 56 HB THR 56 0.042 -1.073 -7.894 398 HG1 THR 56 1HG THR 56 2.370 -0.283 -8.479 399 HG21 THR 56 1HG2 THR 56 0.231 -3.623 -8.206 400 HG22 THR 56 2HG2 THR 56 0.593 -2.953 -6.615 401 HG23 THR 56 3HG2 THR 56 1.906 -3.418 -7.697 402 H LEU 57 H LEU 57 -1.461 -0.780 -10.125 403 HA LEU 57 HA LEU 57 -2.799 -3.313 -10.236 404 HB2 LEU 57 1HB LEU 57 -3.646 -0.462 -10.579 405 HB3 LEU 57 2HB LEU 57 -4.748 -1.779 -10.973 406 HG LEU 57 HG LEU 57 -3.478 -1.440 -8.262 407 HD11 LEU 57 1HD1 LEU 57 -5.460 -0.372 -7.508 408 HD12 LEU 57 2HD1 LEU 57 -6.260 -0.617 -9.060 409 HD13 LEU 57 3HD1 LEU 57 -4.908 0.508 -8.933 410 HD21 LEU 57 1HD2 LEU 57 -5.328 -2.916 -7.572 411 HD22 LEU 57 2HD2 LEU 57 -4.241 -3.685 -8.728 412 HD23 LEU 57 3HD2 LEU 57 -5.808 -3.073 -9.262 413 H GLN 58 H GLN 58 -1.907 -0.823 -12.586 414 HA GLN 58 HA GLN 58 -3.203 -1.782 -14.831 415 HB2 GLN 58 1HB GLN 58 -0.513 -0.434 -14.585 416 HB3 GLN 58 2HB GLN 58 -1.313 -0.730 -16.123 417 HG2 GLN 58 1HG GLN 58 -3.297 0.531 -14.894 418 HG3 GLN 58 2HG GLN 58 -1.949 1.224 -13.993 419 HE21 GLN 58 1HE2 GLN 58 -3.687 1.195 -16.930 420 HE22 GLN 58 2HE2 GLN 58 -2.757 2.390 -17.761 421 H LEU 59 H LEU 59 0.192 -2.463 -13.961 422 HA LEU 59 HA LEU 59 0.733 -4.354 -15.890 423 HB2 LEU 59 1HB LEU 59 1.730 -4.468 -13.051 424 HB3 LEU 59 2HB LEU 59 2.512 -5.137 -14.482 425 HG LEU 59 HG LEU 59 2.061 -2.184 -14.142 426 HD11 LEU 59 1HD1 LEU 59 4.154 -1.926 -13.126 427 HD12 LEU 59 2HD1 LEU 59 4.619 -3.595 -13.456 428 HD13 LEU 59 3HD1 LEU 59 3.388 -3.247 -12.242 429 HD21 LEU 59 1HD2 LEU 59 4.225 -3.570 -15.685 430 HD22 LEU 59 2HD2 LEU 59 3.598 -1.932 -15.875 431 HD23 LEU 59 3HD2 LEU 59 2.625 -3.314 -16.382 432 H TRP 60 H TRP 60 -0.858 -4.785 -12.771 433 HA TRP 60 HA TRP 60 -0.979 -7.618 -12.882 434 HB2 TRP 60 1HB TRP 60 -1.324 -6.910 -10.729 435 HB3 TRP 60 2HB TRP 60 -2.227 -5.482 -11.230 436 HD1 TRP 60 HD TRP 60 -4.843 -5.679 -11.372 437 HE1 TRP 60 1HE TRP 60 -6.519 -7.506 -10.681 438 HE3 TRP 60 3HE TRP 60 -1.571 -9.529 -10.593 439 HZ2 TRP 60 2HZ TRP 60 -6.462 -10.220 -9.908 440 HZ3 TRP 60 3HZ TRP 60 -2.463 -11.708 -9.878 441 HH2 TRP 60 HH TRP 60 -4.858 -12.045 -9.543 442 H LEU 61 H LEU 61 -3.060 -5.048 -14.049 443 HA LEU 61 HA LEU 61 -5.237 -6.798 -14.721 444 HB2 LEU 61 1HB LEU 61 -4.609 -3.918 -15.062 445 HB3 LEU 61 2HB LEU 61 -5.798 -4.628 -16.153 446 HG LEU 61 HG LEU 61 -5.976 -4.591 -13.140 447 HD11 LEU 61 1HD1 LEU 61 -6.290 -2.378 -14.036 448 HD12 LEU 61 2HD1 LEU 61 -7.851 -3.032 -13.542 449 HD13 LEU 61 3HD1 LEU 61 -7.414 -2.989 -15.250 450 HD21 LEU 61 1HD2 LEU 61 -7.244 -6.413 -13.594 451 HD22 LEU 61 2HD2 LEU 61 -7.530 -5.937 -15.268 452 HD23 LEU 61 3HD2 LEU 61 -8.447 -5.177 -13.966 453 H ASP 62 H ASP 62 -2.244 -6.181 -16.089 454 HA ASP 62 HA ASP 62 -3.153 -6.776 -18.813 455 HB2 ASP 62 1HB ASP 62 -1.511 -4.862 -18.239 456 HB3 ASP 62 2HB ASP 62 -0.317 -6.142 -18.040 457 H ASN 63 H ASN 63 -1.120 -8.001 -16.217 458 HA ASN 63 HA ASN 63 -1.002 -10.580 -17.625 459 HB2 ASN 63 1HB ASN 63 1.266 -10.902 -17.128 460 HB3 ASN 63 2HB ASN 63 1.190 -9.214 -17.623 461 HD21 ASN 63 1HD2 ASN 63 3.103 -10.638 -15.909 462 HD22 ASN 63 2HD2 ASN 63 3.117 -9.777 -14.412 463 HA PRO 64 HA PRO 64 -2.552 -10.772 -13.157 464 HB2 PRO 64 1HB PRO 64 -5.085 -11.568 -13.721 465 HB3 PRO 64 2HB PRO 64 -4.620 -9.868 -13.587 466 HG2 PRO 64 1HG PRO 64 -4.987 -11.544 -16.041 467 HG3 PRO 64 2HG PRO 64 -5.510 -9.877 -15.736 468 HD2 PRO 64 1HD PRO 64 -3.295 -10.469 -17.176 469 HD3 PRO 64 2HD PRO 64 -3.421 -9.008 -16.175 470 H LYS 65 H LYS 65 -1.826 -12.709 -15.708 471 HA LYS 65 HA LYS 65 -2.910 -15.197 -14.733 472 HB2 LYS 65 1HB LYS 65 -1.379 -16.168 -16.522 473 HB3 LYS 65 2HB LYS 65 -2.656 -15.094 -17.078 474 HG2 LYS 65 1HG LYS 65 -1.197 -13.437 -17.672 475 HG3 LYS 65 2HG LYS 65 0.023 -13.938 -16.499 476 HD2 LYS 65 1HD LYS 65 -0.697 -15.609 -18.895 477 HD3 LYS 65 2HD LYS 65 0.550 -14.361 -18.951 478 HE2 LYS 65 1HE LYS 65 1.811 -15.481 -17.231 479 HE3 LYS 65 2HE LYS 65 0.523 -16.662 -17.002 480 HZ1 LYS 65 1HZ LYS 65 1.757 -17.873 -18.408 481 HZ2 LYS 65 2HZ LYS 65 2.570 -16.534 -19.044 482 HZ3 LYS 65 3HZ LYS 65 1.027 -16.934 -19.611 483 H ILE 66 H ILE 66 -0.331 -13.257 -13.859 484 HA ILE 66 HA ILE 66 0.916 -15.494 -12.427 485 HB ILE 66 HB ILE 66 3.111 -14.882 -12.963 486 HG12 ILE 66 1HG1 ILE 66 2.057 -12.381 -14.299 487 HG13 ILE 66 2HG1 ILE 66 2.751 -12.430 -12.682 488 HG21 ILE 66 1HG2 ILE 66 1.329 -15.557 -14.971 489 HG22 ILE 66 2HG2 ILE 66 2.281 -14.245 -15.664 490 HG23 ILE 66 3HG2 ILE 66 3.086 -15.685 -15.041 491 HD11 ILE 66 1HD1 ILE 66 4.459 -13.601 -14.739 492 HD12 ILE 66 2HD1 ILE 66 4.119 -11.885 -14.965 493 HD13 ILE 66 3HD1 ILE 66 4.840 -12.450 -13.459 494 H GLN 67 H GLN 67 1.718 -15.006 -10.403 495 HA GLN 67 HA GLN 67 0.526 -12.890 -9.006 496 HB2 GLN 67 1HB GLN 67 1.645 -13.674 -7.110 497 HB3 GLN 67 2HB GLN 67 1.477 -15.109 -8.113 498 HG2 GLN 67 1HG GLN 67 3.949 -13.407 -7.880 499 HG3 GLN 67 2HG GLN 67 3.687 -14.965 -7.099 500 HE21 GLN 67 1HE2 GLN 67 5.086 -13.474 -9.667 501 HE22 GLN 67 2HE2 GLN 67 5.217 -14.816 -10.747 502 H LEU 68 H LEU 68 1.076 -10.828 -8.706 503 HA LEU 68 HA LEU 68 3.478 -9.822 -9.983 504 HB2 LEU 68 1HB LEU 68 1.183 -8.753 -10.136 505 HB3 LEU 68 2HB LEU 68 1.421 -8.236 -8.468 506 HG LEU 68 HG LEU 68 3.443 -6.982 -9.216 507 HD11 LEU 68 1HD1 LEU 68 4.223 -7.831 -11.178 508 HD12 LEU 68 2HD1 LEU 68 3.245 -6.509 -11.812 509 HD13 LEU 68 3HD1 LEU 68 2.609 -8.154 -11.813 510 HD21 LEU 68 1HD2 LEU 68 0.654 -6.397 -9.911 511 HD22 LEU 68 2HD2 LEU 68 1.848 -5.440 -10.789 512 HD23 LEU 68 3HD2 LEU 68 1.833 -5.430 -9.024 513 H THR 69 H THR 69 5.282 -10.133 -8.817 514 HA THR 69 HA THR 69 5.311 -9.959 -5.947 515 HB THR 69 HB THR 69 7.695 -10.400 -6.104 516 HG1 THR 69 1HG THR 69 7.669 -9.099 -8.277 517 HG21 THR 69 1HG2 THR 69 6.314 -12.090 -8.183 518 HG22 THR 69 2HG2 THR 69 6.015 -12.251 -6.452 519 HG23 THR 69 3HG2 THR 69 7.625 -12.560 -7.102 520 H PHE 70 H PHE 70 7.123 -8.599 -4.917 521 HA PHE 70 HA PHE 70 6.519 -5.867 -5.370 522 HB2 PHE 70 1HB PHE 70 7.061 -6.391 -3.151 523 HB3 PHE 70 2HB PHE 70 8.487 -7.311 -3.618 524 HD1 PHE 70 2HD PHE 70 7.112 -3.947 -3.119 525 HD2 PHE 70 1HD PHE 70 10.588 -6.239 -4.000 526 HE1 PHE 70 2HE PHE 70 8.515 -1.966 -2.716 527 HE2 PHE 70 1HE PHE 70 11.998 -4.263 -3.597 528 HZ PHE 70 HZ PHE 70 10.962 -2.123 -2.955 529 H GLU 71 H GLU 71 9.365 -7.861 -6.070 530 HA GLU 71 HA GLU 71 11.061 -5.872 -7.018 531 HB2 GLU 71 1HB GLU 71 10.807 -8.806 -7.530 532 HB3 GLU 71 2HB GLU 71 11.907 -7.863 -8.526 533 HG2 GLU 71 1HG GLU 71 12.733 -7.002 -6.171 534 HG3 GLU 71 2HG GLU 71 12.065 -8.546 -5.645 535 H ALA 72 H ALA 72 9.081 -8.070 -9.017 536 HA ALA 72 HA ALA 72 9.462 -6.988 -11.481 537 HB1 ALA 72 1HB ALA 72 7.715 -8.245 -12.154 538 HB2 ALA 72 2HB ALA 72 7.814 -8.883 -10.513 539 HB3 ALA 72 3HB ALA 72 6.644 -7.621 -10.900 540 H THR 73 H THR 73 6.789 -6.018 -9.321 541 HA THR 73 HA THR 73 5.765 -3.937 -10.786 542 HB THR 73 HB THR 73 6.049 -4.013 -7.776 543 HG1 THR 73 1HG THR 73 4.787 -5.703 -8.129 544 HG21 THR 73 1HG2 THR 73 5.152 -1.965 -7.863 545 HG22 THR 73 2HG2 THR 73 3.679 -2.743 -8.442 546 HG23 THR 73 3HG2 THR 73 4.844 -2.093 -9.594 547 H LEU 74 H LEU 74 8.532 -3.874 -8.583 548 HA LEU 74 HA LEU 74 8.974 -1.080 -8.725 549 HB2 LEU 74 1HB LEU 74 9.954 -2.154 -6.905 550 HB3 LEU 74 2HB LEU 74 10.643 -3.428 -7.909 551 HG LEU 74 HG LEU 74 12.057 -1.427 -8.884 552 HD11 LEU 74 1HD1 LEU 74 11.781 -0.460 -6.071 553 HD12 LEU 74 2HD1 LEU 74 10.693 0.133 -7.325 554 HD13 LEU 74 3HD1 LEU 74 12.433 0.370 -7.484 555 HD21 LEU 74 1HD2 LEU 74 13.625 -1.853 -6.804 556 HD22 LEU 74 2HD2 LEU 74 13.314 -3.115 -7.997 557 HD23 LEU 74 3HD2 LEU 74 12.438 -3.113 -6.465 558 H GLN 75 H GLN 75 10.779 -3.763 -10.239 559 HA GLN 75 HA GLN 75 12.507 -2.355 -11.812 560 HB2 GLN 75 1HB GLN 75 11.026 -4.898 -12.494 561 HB3 GLN 75 2HB GLN 75 12.390 -4.279 -13.416 562 HG2 GLN 75 1HG GLN 75 12.677 -4.735 -10.483 563 HG3 GLN 75 2HG GLN 75 12.748 -6.101 -11.597 564 HE21 GLN 75 1HE2 GLN 75 14.211 -3.021 -10.764 565 HE22 GLN 75 2HE2 GLN 75 15.755 -3.351 -11.466 566 H GLN 76 H GLN 76 9.242 -3.396 -12.797 567 HA GLN 76 HA GLN 76 9.233 -2.148 -15.297 568 HB2 GLN 76 1HB GLN 76 6.923 -2.753 -13.445 569 HB3 GLN 76 2HB GLN 76 6.754 -2.287 -15.133 570 HG2 GLN 76 1HG GLN 76 7.603 -4.292 -15.909 571 HG3 GLN 76 2HG GLN 76 8.413 -4.654 -14.386 572 HE21 GLN 76 1HE2 GLN 76 6.771 -4.763 -12.489 573 HE22 GLN 76 2HE2 GLN 76 5.383 -5.746 -12.787 574 H LEU 77 H LEU 77 8.154 -0.955 -12.137 575 HA LEU 77 HA LEU 77 7.033 1.452 -12.879 576 HB2 LEU 77 1HB LEU 77 8.367 0.417 -10.456 577 HB3 LEU 77 2HB LEU 77 8.226 2.170 -10.578 578 HG LEU 77 HG LEU 77 5.821 0.414 -10.925 579 HD11 LEU 77 1HD1 LEU 77 7.337 0.927 -8.458 580 HD12 LEU 77 2HD1 LEU 77 6.190 -0.356 -8.845 581 HD13 LEU 77 3HD1 LEU 77 5.603 1.235 -8.362 582 HD21 LEU 77 1HD2 LEU 77 5.189 2.749 -9.576 583 HD22 LEU 77 2HD2 LEU 77 4.932 2.422 -11.290 584 HD23 LEU 77 3HD2 LEU 77 6.398 3.249 -10.759 585 H GLU 78 H GLU 78 7.892 3.646 -12.729 586 HA GLU 78 HA GLU 78 10.733 3.812 -13.485 587 HB2 GLU 78 1HB GLU 78 10.160 5.603 -15.065 588 HB3 GLU 78 2HB GLU 78 9.362 4.093 -15.481 589 HG2 GLU 78 1HG GLU 78 7.295 4.909 -14.455 590 HG3 GLU 78 2HG GLU 78 8.098 6.430 -14.067 591 H ALA 79 H ALA 79 11.859 5.021 -12.126 592 HA ALA 79 HA ALA 79 10.954 6.342 -9.922 593 HB1 ALA 79 1HB ALA 79 13.422 6.191 -11.359 594 HB2 ALA 79 2HB ALA 79 13.168 7.843 -10.795 595 HB3 ALA 79 3HB ALA 79 13.148 6.506 -9.645 596 HA PRO 80 HA PRO 80 12.053 8.334 -8.861 597 HB2 PRO 80 1HB PRO 80 10.541 9.911 -7.249 598 HB3 PRO 80 2HB PRO 80 11.822 10.547 -8.288 599 HG2 PRO 80 1HG PRO 80 8.864 10.492 -8.745 600 HG3 PRO 80 2HG PRO 80 10.019 11.802 -9.052 601 HD2 PRO 80 1HD PRO 80 9.098 10.182 -11.016 602 HD3 PRO 80 2HD PRO 80 10.731 10.878 -11.040 603 H TYR 81 H TYR 81 8.989 7.476 -9.865 604 HA TYR 81 HA TYR 81 7.602 6.668 -7.633 605 HB2 TYR 81 1HB TYR 81 7.788 5.002 -10.142 606 HB3 TYR 81 2HB TYR 81 6.428 5.134 -9.032 607 HD1 TYR 81 1HD TYR 81 6.597 8.203 -8.763 608 HD2 TYR 81 2HD TYR 81 6.581 5.592 -12.122 609 HE1 TYR 81 1HE TYR 81 5.640 9.998 -10.145 610 HE2 TYR 81 2HE TYR 81 5.625 7.380 -13.515 611 HH TYR 81 HH TYR 81 5.742 10.377 -12.997 612 H ASN 82 H ASN 82 10.013 4.768 -9.441 613 HA ASN 82 HA ASN 82 9.997 2.664 -7.473 614 HB2 ASN 82 1HB ASN 82 11.778 1.667 -8.862 615 HB3 ASN 82 2HB ASN 82 10.372 2.116 -9.822 616 HD21 ASN 82 1HD2 ASN 82 11.867 2.010 -11.613 617 HD22 ASN 82 2HD2 ASN 82 12.859 3.378 -11.971 618 H SER 83 H SER 83 11.823 5.541 -8.104 619 HA SER 83 HA SER 83 14.257 5.139 -6.979 620 HB2 SER 83 1HB SER 83 13.567 7.308 -7.867 621 HB3 SER 83 2HB SER 83 12.454 7.529 -6.517 622 HG SER 83 HG SER 83 14.342 7.407 -5.139 623 H ASP 84 H ASP 84 11.237 5.722 -5.216 624 HA ASP 84 HA ASP 84 12.609 5.187 -2.686 625 HB2 ASP 84 1HB ASP 84 9.745 6.056 -3.115 626 HB3 ASP 84 2HB ASP 84 10.638 6.057 -1.597 627 H THR 85 H THR 85 12.884 2.995 -2.630 628 HA THR 85 HA THR 85 10.976 1.090 -3.445 629 HB THR 85 HB THR 85 12.310 -0.528 -2.079 630 HG1 THR 85 1HG THR 85 13.388 1.879 -1.160 631 HG21 THR 85 1HG2 THR 85 14.264 -0.442 -3.467 632 HG22 THR 85 2HG2 THR 85 14.034 1.280 -3.773 633 HG23 THR 85 3HG2 THR 85 12.892 0.107 -4.430 634 H VAL 86 H VAL 86 11.737 2.449 -0.256 635 HA VAL 86 HA VAL 86 10.183 0.935 1.398 636 HB VAL 86 HB VAL 86 11.619 2.980 1.977 637 HG11 VAL 86 1HG1 VAL 86 9.012 4.459 1.807 638 HG12 VAL 86 2HG1 VAL 86 10.634 5.104 2.066 639 HG13 VAL 86 3HG1 VAL 86 10.178 4.473 0.484 640 HG21 VAL 86 1HG2 VAL 86 10.514 1.700 3.682 641 HG22 VAL 86 2HG2 VAL 86 10.300 3.413 4.042 642 HG23 VAL 86 3HG2 VAL 86 8.974 2.488 3.339 643 H LEU 87 H LEU 87 9.108 3.514 -0.758 644 HA LEU 87 HA LEU 87 6.402 3.494 0.151 645 HB2 LEU 87 1HB LEU 87 7.707 5.336 -1.111 646 HB3 LEU 87 2HB LEU 87 7.261 4.437 -2.559 647 HG LEU 87 HG LEU 87 4.900 4.775 -2.060 648 HD11 LEU 87 1HD1 LEU 87 5.936 6.236 0.361 649 HD12 LEU 87 2HD1 LEU 87 4.904 4.807 0.328 650 HD13 LEU 87 3HD1 LEU 87 4.281 6.358 -0.235 651 HD21 LEU 87 1HD2 LEU 87 6.671 6.650 -2.992 652 HD22 LEU 87 2HD2 LEU 87 5.786 7.538 -1.751 653 HD23 LEU 87 3HD2 LEU 87 4.913 6.766 -3.076 654 H VAL 88 H VAL 88 8.073 2.115 -2.662 655 HA VAL 88 HA VAL 88 5.829 0.980 -3.900 656 HB VAL 88 HB VAL 88 8.709 0.072 -3.960 657 HG11 VAL 88 1HG1 VAL 88 8.144 -1.180 -5.951 658 HG12 VAL 88 2HG1 VAL 88 7.142 -1.723 -4.604 659 HG13 VAL 88 3HG1 VAL 88 6.463 -0.658 -5.836 660 HG21 VAL 88 1HG2 VAL 88 8.516 1.178 -6.276 661 HG22 VAL 88 2HG2 VAL 88 7.088 1.975 -5.617 662 HG23 VAL 88 3HG2 VAL 88 8.663 2.222 -4.862 663 H HIS 89 H HIS 89 7.737 -0.058 -1.186 664 HA HIS 89 HA HIS 89 6.749 -2.764 -1.207 665 HB2 HIS 89 1HB HIS 89 8.962 -2.315 -0.301 666 HB3 HIS 89 2HB HIS 89 8.280 -1.214 0.892 667 HD1 HIS 89 1HD HIS 89 9.482 -4.535 0.624 668 HD2 HIS 89 2HD HIS 89 6.293 -2.756 2.606 669 HE1 HIS 89 1HE HIS 89 8.825 -6.155 2.432 670 HE2 HIS 89 2HE HIS 89 6.840 -5.095 3.563 671 H ARG 90 H ARG 90 5.987 0.246 0.437 672 HA ARG 90 HA ARG 90 4.122 -0.951 2.259 673 HB2 ARG 90 1HB ARG 90 4.684 1.915 1.495 674 HB3 ARG 90 2HB ARG 90 3.474 1.456 2.686 675 HG2 ARG 90 1HG ARG 90 5.106 0.592 4.157 676 HG3 ARG 90 2HG ARG 90 6.357 0.648 2.913 677 HD2 ARG 90 1HD ARG 90 6.894 2.545 4.053 678 HD3 ARG 90 2HD ARG 90 5.724 3.221 2.920 679 HE ARG 90 HE ARG 90 4.468 2.341 5.316 680 HH11 ARG 90 2HH1 ARG 90 6.372 4.919 3.956 681 HH12 ARG 90 1HH1 ARG 90 5.780 6.115 5.061 682 HH21 ARG 90 2HH2 ARG 90 3.681 3.906 6.776 683 HH22 ARG 90 1HH2 ARG 90 4.250 5.537 6.666 684 H VAL 91 H VAL 91 3.935 0.710 -0.841 685 HA VAL 91 HA VAL 91 1.076 0.839 -0.884 686 HB VAL 91 HB VAL 91 3.077 1.121 -3.130 687 HG11 VAL 91 1HG1 VAL 91 0.235 0.851 -3.199 688 HG12 VAL 91 2HG1 VAL 91 0.675 2.487 -3.694 689 HG13 VAL 91 3HG1 VAL 91 1.359 1.095 -4.535 690 HG21 VAL 91 1HG2 VAL 91 2.020 3.584 -2.709 691 HG22 VAL 91 2HG2 VAL 91 2.045 2.941 -1.067 692 HG23 VAL 91 3HG2 VAL 91 3.535 3.017 -2.007 693 H HIS 92 H HIS 92 3.448 -1.125 -2.685 694 HA HIS 92 HA HIS 92 1.623 -2.753 -4.020 695 HB2 HIS 92 1HB HIS 92 4.047 -2.626 -4.537 696 HB3 HIS 92 2HB HIS 92 4.387 -3.524 -3.060 697 HD1 HIS 92 1HD HIS 92 3.429 -6.033 -3.008 698 HD2 HIS 92 2HD HIS 92 3.487 -4.168 -6.720 699 HE1 HIS 92 1HE HIS 92 3.187 -7.883 -4.694 700 HE2 HIS 92 2HE HIS 92 3.311 -6.740 -6.934 701 H SER 93 H SER 93 2.506 -2.691 -0.715 702 HA SER 93 HA SER 93 1.699 -5.421 -0.179 703 HB2 SER 93 1HB SER 93 2.022 -4.660 2.244 704 HB3 SER 93 2HB SER 93 3.455 -4.655 1.215 705 HG SER 93 HG SER 93 2.139 -2.564 2.410 706 H TYR 94 H TYR 94 0.598 -2.250 1.035 707 HA TYR 94 HA TYR 94 -1.720 -3.010 2.265 708 HB2 TYR 94 1HB TYR 94 -1.316 -0.773 2.565 709 HB3 TYR 94 2HB TYR 94 -0.847 -0.520 0.888 710 HD1 TYR 94 2HD TYR 94 -2.625 -0.328 -0.864 711 HD2 TYR 94 1HD TYR 94 -3.540 -0.387 3.291 712 HE1 TYR 94 2HE TYR 94 -4.845 0.616 -1.345 713 HE2 TYR 94 1HE TYR 94 -5.763 0.556 2.821 714 HH TYR 94 HH TYR 94 -7.206 0.525 -0.036 715 H LEU 95 H LEU 95 -1.120 -2.710 -1.164 716 HA LEU 95 HA LEU 95 -3.850 -2.851 -1.976 717 HB2 LEU 95 1HB LEU 95 -1.321 -3.459 -3.500 718 HB3 LEU 95 2HB LEU 95 -2.925 -3.303 -4.213 719 HG LEU 95 HG LEU 95 -1.709 -1.027 -2.690 720 HD11 LEU 95 1HD1 LEU 95 -0.766 -2.145 -5.202 721 HD12 LEU 95 2HD1 LEU 95 -0.039 -0.922 -4.161 722 HD13 LEU 95 3HD1 LEU 95 -1.261 -0.459 -5.345 723 HD21 LEU 95 1HD2 LEU 95 -3.101 0.221 -4.403 724 HD22 LEU 95 2HD2 LEU 95 -3.989 -0.701 -3.190 725 HD23 LEU 95 3HD2 LEU 95 -3.805 -1.340 -4.824 726 H GLU 96 H GLU 96 -1.252 -5.229 -2.543 727 HA GLU 96 HA GLU 96 -2.839 -7.377 -3.202 728 HB2 GLU 96 1HB GLU 96 -0.407 -7.395 -3.437 729 HB3 GLU 96 2HB GLU 96 -0.223 -7.418 -1.689 730 HG2 GLU 96 1HG GLU 96 -1.788 -9.580 -3.006 731 HG3 GLU 96 2HG GLU 96 -0.028 -9.613 -3.094 732 H ARG 97 H ARG 97 -1.616 -6.551 0.039 733 HA ARG 97 HA ARG 97 -2.766 -8.637 1.456 734 HB2 ARG 97 1HB ARG 97 -2.018 -5.827 2.192 735 HB3 ARG 97 2HB ARG 97 -2.826 -6.858 3.365 736 HG2 ARG 97 1HG ARG 97 -0.377 -7.825 1.954 737 HG3 ARG 97 2HG ARG 97 -0.244 -6.734 3.334 738 HD2 ARG 97 1HD ARG 97 -1.683 -8.353 4.614 739 HD3 ARG 97 2HD ARG 97 -1.505 -9.467 3.259 740 HE ARG 97 HE ARG 97 0.438 -8.883 5.276 741 HH11 ARG 97 2HH1 ARG 97 0.008 -9.875 1.967 742 HH12 ARG 97 1HH1 ARG 97 1.529 -10.699 1.879 743 HH21 ARG 97 2HH2 ARG 97 2.443 -9.965 5.174 744 HH22 ARG 97 1HH2 ARG 97 2.913 -10.750 3.704 745 H HIS 98 H HIS 98 -4.171 -5.568 0.438 746 HA HIS 98 HA HIS 98 -6.658 -6.059 1.816 747 HB2 HIS 98 1HB HIS 98 -5.673 -3.908 -0.040 748 HB3 HIS 98 2HB HIS 98 -7.372 -4.009 0.410 749 HD1 HIS 98 1HD HIS 98 -7.320 -1.812 1.730 750 HD2 HIS 98 2HD HIS 98 -4.621 -4.653 3.107 751 HE1 HIS 98 1HE HIS 98 -6.508 -0.948 3.948 752 HE2 HIS 98 2HE HIS 98 -4.812 -2.642 4.722 753 H GLY 99 H GLY 99 -5.490 -7.760 -0.509 754 HA2 GLY 99 1HA GLY 99 -6.377 -9.060 -2.181 755 HA3 GLY 99 2HA GLY 99 -7.957 -8.632 -1.541 756 H LEU 100 H LEU 100 -5.528 -6.441 -2.878 757 HA LEU 100 HA LEU 100 -7.512 -5.575 -4.853 758 HB2 LEU 100 1HB LEU 100 -4.960 -4.254 -3.942 759 HB3 LEU 100 2HB LEU 100 -6.107 -3.578 -5.097 760 HG LEU 100 HG LEU 100 -6.252 -3.739 -2.139 761 HD11 LEU 100 1HD1 LEU 100 -7.427 -1.557 -2.545 762 HD12 LEU 100 2HD1 LEU 100 -7.070 -1.766 -4.258 763 HD13 LEU 100 3HD1 LEU 100 -5.753 -1.626 -3.094 764 HD21 LEU 100 1HD2 LEU 100 -8.606 -4.092 -3.970 765 HD22 LEU 100 2HD2 LEU 100 -8.767 -3.380 -2.364 766 HD23 LEU 100 3HD2 LEU 100 -8.168 -5.030 -2.541 767 H ILE 101 H ILE 101 -4.521 -7.227 -4.552 768 HA ILE 101 HA ILE 101 -4.437 -7.616 -7.434 769 HB ILE 101 HB ILE 101 -2.005 -7.172 -7.550 770 HG12 ILE 101 1HG1 ILE 101 -2.304 -5.762 -4.901 771 HG13 ILE 101 2HG1 ILE 101 -1.718 -7.418 -5.019 772 HG21 ILE 101 1HG2 ILE 101 -3.883 -4.948 -6.821 773 HG22 ILE 101 2HG2 ILE 101 -2.225 -4.634 -7.333 774 HG23 ILE 101 3HG2 ILE 101 -3.343 -5.458 -8.420 775 HD11 ILE 101 1HD1 ILE 101 0.130 -5.879 -4.851 776 HD12 ILE 101 2HD1 ILE 101 0.123 -6.639 -6.443 777 HD13 ILE 101 3HD1 ILE 101 -0.453 -4.983 -6.254 778 H ASN 102 H ASN 102 -3.394 -9.513 -8.072 779 HA ASN 102 HA ASN 102 -2.673 -11.662 -7.890 780 HB2 ASN 102 1HB ASN 102 -1.498 -10.732 -5.260 781 HB3 ASN 102 2HB ASN 102 -1.064 -12.204 -6.125 782 HD21 ASN 102 1HD2 ASN 102 1.085 -11.143 -5.854 783 HD22 ASN 102 2HD2 ASN 102 1.603 -10.071 -7.105 784 H PHE 103 H PHE 103 -5.247 -11.457 -7.351 785 HA PHE 103 HA PHE 103 -5.656 -13.125 -4.956 786 HB2 PHE 103 1HB PHE 103 -8.048 -12.184 -5.059 787 HB3 PHE 103 2HB PHE 103 -6.777 -11.117 -4.471 788 HD1 PHE 103 1HD PHE 103 -8.146 -12.076 -7.812 789 HD2 PHE 103 2HD PHE 103 -7.002 -8.950 -5.159 790 HE1 PHE 103 1HE PHE 103 -8.767 -10.410 -9.513 791 HE2 PHE 103 2HE PHE 103 -7.622 -7.279 -6.856 792 HZ PHE 103 HZ PHE 103 -8.506 -8.008 -9.035 793 H GLY 104 H GLY 104 -4.976 -14.115 -7.546 794 HA2 GLY 104 1HA GLY 104 -7.291 -15.841 -7.960 795 HA3 GLY 104 2HA GLY 104 -6.760 -14.900 -9.347 796 H ILE 105 H ILE 105 -4.168 -15.036 -9.490 797 HA ILE 105 HA ILE 105 -3.527 -17.483 -10.528 798 HB ILE 105 HB ILE 105 -1.225 -16.859 -10.478 799 HG12 ILE 105 1HG1 ILE 105 -1.219 -16.276 -8.024 800 HG13 ILE 105 2HG1 ILE 105 -0.290 -15.185 -9.046 801 HG21 ILE 105 1HG2 ILE 105 -1.763 -14.153 -10.785 802 HG22 ILE 105 2HG2 ILE 105 -1.814 -15.390 -12.040 803 HG23 ILE 105 3HG2 ILE 105 -3.286 -14.955 -11.171 804 HD11 ILE 105 1HD1 ILE 105 -2.677 -14.684 -7.425 805 HD12 ILE 105 2HD1 ILE 105 -1.376 -13.595 -7.910 806 HD13 ILE 105 3HD1 ILE 105 -2.694 -13.947 -9.027 807 H TYR 106 H TYR 106 -3.321 -16.454 -7.181 808 HA TYR 106 HA TYR 106 -2.851 -19.237 -6.407 809 HB2 TYR 106 1HB TYR 106 -1.098 -18.707 -4.887 810 HB3 TYR 106 2HB TYR 106 -0.671 -17.946 -6.416 811 HD1 TYR 106 1HD TYR 106 -2.371 -17.182 -3.181 812 HD2 TYR 106 2HD TYR 106 -0.047 -15.713 -6.428 813 HE1 TYR 106 1HE TYR 106 -2.144 -15.019 -2.033 814 HE2 TYR 106 2HE TYR 106 0.187 -13.547 -5.288 815 HH TYR 106 HH TYR 106 -1.691 -12.666 -2.612 816 H LYS 107 H LYS 107 -3.158 -19.496 -3.977 817 HA LYS 107 HA LYS 107 -5.334 -17.727 -3.069 818 HB2 LYS 107 1HB LYS 107 -6.215 -19.750 -1.858 819 HB3 LYS 107 2HB LYS 107 -6.312 -19.833 -3.612 820 HG2 LYS 107 1HG LYS 107 -3.924 -20.991 -2.276 821 HG3 LYS 107 2HG LYS 107 -5.454 -21.865 -2.182 822 HD2 LYS 107 1HD LYS 107 -5.496 -22.307 -4.424 823 HD3 LYS 107 2HD LYS 107 -4.593 -20.848 -4.839 824 HE2 LYS 107 1HE LYS 107 -3.039 -22.498 -5.262 825 HE3 LYS 107 2HE LYS 107 -2.633 -22.041 -3.609 826 HZ1 LYS 107 1HZ LYS 107 -3.266 -24.024 -2.818 827 HZ2 LYS 107 2HZ LYS 107 -3.060 -24.555 -4.410 828 HZ3 LYS 107 3HZ LYS 107 -4.602 -24.148 -3.848 829 H ARG 108 H ARG 108 -2.277 -19.037 -2.405 830 HA ARG 108 HA ARG 108 -1.004 -19.213 -0.491 831 HB2 ARG 108 1HB ARG 108 -1.271 -16.687 -1.266 832 HB3 ARG 108 2HB ARG 108 -2.053 -16.537 0.302 833 HG2 ARG 108 1HG ARG 108 0.586 -17.890 0.187 834 HG3 ARG 108 2HG ARG 108 0.534 -16.138 -0.012 835 HD2 ARG 108 1HD ARG 108 -0.735 -15.973 2.101 836 HD3 ARG 108 2HD ARG 108 -0.578 -17.717 2.304 837 HE ARG 108 HE ARG 108 1.976 -16.982 2.079 838 HH11 ARG 108 2HH1 ARG 108 -0.628 -15.656 3.971 839 HH12 ARG 108 1HH1 ARG 108 0.408 -15.096 5.242 840 HH21 ARG 108 2HH2 ARG 108 3.350 -16.249 3.746 841 HH22 ARG 108 1HH2 ARG 108 2.670 -15.432 5.112 842 H ILE 109 H ILE 109 -3.130 -20.688 0.064 843 HA ILE 109 HA ILE 109 -4.824 -19.933 2.138 844 HB ILE 109 HB ILE 109 -3.694 -22.696 1.682 845 HG12 ILE 109 1HG1 ILE 109 -6.281 -21.599 0.587 846 HG13 ILE 109 2HG1 ILE 109 -4.774 -21.519 -0.319 847 HG21 ILE 109 1HG2 ILE 109 -6.440 -22.253 2.687 848 HG22 ILE 109 2HG2 ILE 109 -5.280 -23.521 3.076 849 HG23 ILE 109 3HG2 ILE 109 -5.117 -21.924 3.805 850 HD11 ILE 109 1HD1 ILE 109 -6.162 -24.013 0.631 851 HD12 ILE 109 2HD1 ILE 109 -6.064 -23.421 -1.028 852 HD13 ILE 109 3HD1 ILE 109 -4.607 -23.969 -0.199 853 H LYS 110 H LYS 110 -4.208 -19.092 4.018 854 HA LYS 110 HA LYS 110 -2.553 -20.612 5.805 855 HB2 LYS 110 1HB LYS 110 -1.070 -19.072 4.225 856 HB3 LYS 110 2HB LYS 110 -1.539 -17.839 5.388 857 HG2 LYS 110 1HG LYS 110 -0.482 -20.407 6.434 858 HG3 LYS 110 2HG LYS 110 0.651 -19.280 5.684 859 HD2 LYS 110 1HD LYS 110 -0.122 -17.514 7.208 860 HD3 LYS 110 2HD LYS 110 -1.225 -18.664 7.969 861 HE2 LYS 110 1HE LYS 110 1.727 -19.186 7.802 862 HE3 LYS 110 2HE LYS 110 1.035 -18.219 9.104 863 HZ1 LYS 110 1HZ LYS 110 1.301 -20.597 9.659 864 HZ2 LYS 110 2HZ LYS 110 0.183 -20.987 8.451 865 HZ3 LYS 110 3HZ LYS 110 -0.300 -20.064 9.783 866 HA PRO 111 HA PRO 111 -5.372 -18.626 8.567 867 HB2 PRO 111 1HB PRO 111 -4.207 -19.400 10.894 868 HB3 PRO 111 2HB PRO 111 -5.151 -20.498 9.881 869 HG2 PRO 111 1HG PRO 111 -2.181 -20.176 10.069 870 HG3 PRO 111 2HG PRO 111 -3.141 -21.664 9.979 871 HD2 PRO 111 1HD PRO 111 -1.868 -20.621 7.829 872 HD3 PRO 111 2HD PRO 111 -3.399 -21.510 7.694 873 H LEU 112 H LEU 112 -5.464 -16.890 10.052 874 HA LEU 112 HA LEU 112 -3.209 -15.574 11.111 875 HB2 LEU 112 1HB LEU 112 -3.277 -13.534 9.714 876 HB3 LEU 112 2HB LEU 112 -2.693 -14.960 8.860 877 HG LEU 112 HG LEU 112 -5.066 -15.162 7.933 878 HD11 LEU 112 1HD1 LEU 112 -5.437 -12.952 9.661 879 HD12 LEU 112 2HD1 LEU 112 -6.608 -13.714 8.585 880 HD13 LEU 112 3HD1 LEU 112 -5.618 -12.375 8.004 881 HD21 LEU 112 1HD2 LEU 112 -4.406 -12.866 6.546 882 HD22 LEU 112 2HD2 LEU 112 -3.849 -14.501 6.187 883 HD23 LEU 112 3HD2 LEU 112 -2.861 -13.430 7.182 884 HA PRO 113 HA PRO 113 -6.363 -13.681 13.508 885 HB2 PRO 113 1HB PRO 113 -5.108 -11.416 14.325 886 HB3 PRO 113 2HB PRO 113 -4.701 -13.019 14.950 887 HG2 PRO 113 1HG PRO 113 -3.328 -11.406 12.834 888 HG3 PRO 113 2HG PRO 113 -2.619 -12.352 14.156 889 HD2 PRO 113 1HD PRO 113 -2.752 -13.272 11.612 890 HD3 PRO 113 2HD PRO 113 -2.857 -14.346 13.023 891 H THR 114 H THR 114 -7.941 -13.190 11.959 892 HA THR 114 HA THR 114 -7.885 -10.409 10.984 893 HB THR 114 HB THR 114 -7.619 -11.983 9.109 894 HG1 THR 114 1HG THR 114 -8.735 -10.487 8.126 895 HG21 THR 114 1HG2 THR 114 -9.512 -13.508 10.526 896 HG22 THR 114 2HG2 THR 114 -8.762 -13.891 8.977 897 HG23 THR 114 3HG2 THR 114 -10.294 -13.019 9.024 898 H LYS 115 H LYS 115 -10.097 -9.541 10.521 899 HA LYS 115 HA LYS 115 -12.129 -8.888 11.313 900 HB2 LYS 115 1HB LYS 115 -12.519 -11.306 10.385 901 HB3 LYS 115 2HB LYS 115 -12.720 -11.723 12.082 902 HG2 LYS 115 1HG LYS 115 -14.880 -11.317 11.243 903 HG3 LYS 115 2HG LYS 115 -14.455 -9.896 12.201 904 HD2 LYS 115 1HD LYS 115 -15.293 -8.887 10.321 905 HD3 LYS 115 2HD LYS 115 -13.588 -9.003 9.880 906 HE2 LYS 115 1HE LYS 115 -14.623 -9.815 7.985 907 HE3 LYS 115 2HE LYS 115 -14.284 -11.299 8.874 908 HZ1 LYS 115 1HZ LYS 115 -16.529 -11.391 9.621 909 HZ2 LYS 115 2HZ LYS 115 -16.563 -11.166 7.945 910 HZ3 LYS 115 3HZ LYS 115 -16.880 -9.865 8.980 911 H LYS 116 H LYS 116 -10.103 -8.558 13.138 912 HA LYS 116 HA LYS 116 -10.885 -9.641 15.696 913 HB2 LYS 116 1HB LYS 116 -8.864 -7.500 15.004 914 HB3 LYS 116 2HB LYS 116 -9.060 -8.243 16.586 915 HG2 LYS 116 1HG LYS 116 -8.085 -10.205 15.944 916 HG3 LYS 116 2HG LYS 116 -8.550 -10.010 14.252 917 HD2 LYS 116 1HD LYS 116 -6.229 -9.681 14.269 918 HD3 LYS 116 2HD LYS 116 -6.907 -8.052 14.211 919 HE2 LYS 116 1HE LYS 116 -6.689 -8.011 16.728 920 HE3 LYS 116 2HE LYS 116 -5.749 -9.496 16.586 921 HZ1 LYS 116 1HZ LYS 116 -4.702 -7.663 14.769 922 HZ2 LYS 116 2HZ LYS 116 -3.976 -8.263 16.173 923 HZ3 LYS 116 3HZ LYS 116 -4.892 -6.843 16.237 924 H THR 117 H THR 117 -13.043 -8.351 14.625 925 HA THR 117 HA THR 117 -13.206 -5.662 15.678 926 HB THR 117 HB THR 117 -15.335 -7.411 14.432 927 HG1 THR 117 1HG THR 117 -13.448 -5.602 13.439 928 HG21 THR 117 1HG2 THR 117 -15.461 -4.827 15.782 929 HG22 THR 117 2HG2 THR 117 -16.761 -5.925 15.319 930 HG23 THR 117 3HG2 THR 117 -16.109 -4.785 14.143 931 H GLY 118 H GLY 118 -14.326 -4.991 17.467 932 HA2 GLY 118 1HA GLY 118 -14.973 -7.090 19.401 933 HA3 GLY 118 2HA GLY 118 -14.739 -5.385 19.760 934 H SER 119 H SER 119 -16.990 -7.830 18.775 935 HA SER 119 HA SER 119 -19.164 -6.269 18.000 936 HB2 SER 119 1HB SER 119 -20.557 -8.227 18.724 937 HB3 SER 119 2HB SER 119 -19.207 -8.660 17.675 938 HG SER 119 HG SER 119 -18.046 -9.117 19.692 939 H GLY 120 H GLY 120 -21.097 -5.689 19.160 940 HA2 GLY 120 1HA GLY 120 -20.552 -5.089 22.002 941 HA3 GLY 120 2HA GLY 120 -21.455 -4.022 20.937 942 HA PRO 121 HA PRO 121 -24.176 -7.886 22.138 943 HB2 PRO 121 1HB PRO 121 -23.560 -8.905 24.578 944 HB3 PRO 121 2HB PRO 121 -22.862 -9.521 23.075 945 HG2 PRO 121 1HG PRO 121 -21.690 -7.620 25.069 946 HG3 PRO 121 2HG PRO 121 -20.919 -8.981 24.234 947 HD2 PRO 121 1HD PRO 121 -20.584 -6.411 23.449 948 HD3 PRO 121 2HD PRO 121 -20.580 -7.768 22.303 949 H SER 122 H SER 122 -25.615 -8.258 24.257 950 HA SER 122 HA SER 122 -26.249 -5.561 25.237 951 HB2 SER 122 1HB SER 122 -27.929 -8.018 24.778 952 HB3 SER 122 2HB SER 122 -28.494 -6.706 25.813 953 HG SER 122 HG SER 122 -28.306 -5.303 24.048 954 H SER 123 H SER 123 -26.416 -5.120 27.386 955 HA SER 123 HA SER 123 -25.017 -6.790 29.202 956 HB2 SER 123 1HB SER 123 -25.266 -4.235 29.271 957 HB3 SER 123 2HB SER 123 -26.839 -4.528 30.012 958 HG SER 123 HG SER 123 -24.445 -4.540 31.167 959 H GLY 124 H GLY 124 -28.456 -6.032 28.768 960 HA2 GLY 124 1HA GLY 124 -29.918 -8.051 29.085 961 HA3 GLY 124 2HA GLY 124 -29.080 -8.252 30.616 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -26.252 -6.594 -17.977 2 HA2 GLY 1 1HA GLY 1 -27.671 -8.041 -16.717 3 HA3 GLY 1 2HA GLY 1 -26.844 -9.419 -17.428 4 H SER 2 H SER 2 -26.439 -10.376 -15.430 5 HA SER 2 HA SER 2 -24.444 -8.972 -13.775 6 HB2 SER 2 1HB SER 2 -26.823 -10.609 -13.019 7 HB3 SER 2 2HB SER 2 -25.393 -10.700 -11.991 8 HG SER 2 HG SER 2 -26.504 -8.226 -12.783 9 H SER 3 H SER 3 -22.702 -9.853 -14.925 10 HA SER 3 HA SER 3 -22.153 -12.653 -14.262 11 HB2 SER 3 1HB SER 3 -21.837 -11.435 -17.015 12 HB3 SER 3 2HB SER 3 -21.186 -13.003 -16.539 13 HG SER 3 HG SER 3 -23.910 -12.472 -16.138 14 H GLY 4 H GLY 4 -20.484 -12.426 -12.904 15 HA2 GLY 4 1HA GLY 4 -18.439 -10.406 -13.446 16 HA3 GLY 4 2HA GLY 4 -18.616 -11.333 -11.963 17 H SER 5 H SER 5 -16.570 -12.125 -11.796 18 HA SER 5 HA SER 5 -14.772 -13.463 -12.186 19 HB2 SER 5 1HB SER 5 -16.553 -15.196 -12.318 20 HB3 SER 5 2HB SER 5 -16.643 -14.933 -14.060 21 HG SER 5 HG SER 5 -14.166 -15.345 -13.731 22 H SER 6 H SER 6 -14.806 -11.116 -13.635 23 HA SER 6 HA SER 6 -13.243 -11.905 -15.971 24 HB2 SER 6 1HB SER 6 -15.159 -9.635 -16.330 25 HB3 SER 6 2HB SER 6 -14.449 -10.704 -17.540 26 HG SER 6 HG SER 6 -15.792 -12.386 -16.455 27 H GLY 7 H GLY 7 -11.625 -10.457 -16.534 28 HA2 GLY 7 1HA GLY 7 -11.199 -8.286 -14.578 29 HA3 GLY 7 2HA GLY 7 -9.909 -9.182 -15.367 30 H GLU 8 H GLU 8 -11.628 -6.340 -15.373 31 HA GLU 8 HA GLU 8 -11.592 -5.809 -18.196 32 HB2 GLU 8 1HB GLU 8 -13.103 -4.784 -16.311 33 HB3 GLU 8 2HB GLU 8 -11.773 -3.649 -16.132 34 HG2 GLU 8 1HG GLU 8 -13.093 -4.173 -18.774 35 HG3 GLU 8 2HG GLU 8 -13.681 -2.957 -17.642 36 H GLU 9 H GLU 9 -10.111 -4.696 -19.372 37 HA GLU 9 HA GLU 9 -7.628 -3.942 -17.978 38 HB2 GLU 9 1HB GLU 9 -8.147 -5.203 -20.636 39 HB3 GLU 9 2HB GLU 9 -6.727 -4.184 -20.448 40 HG2 GLU 9 1HG GLU 9 -6.024 -6.396 -20.052 41 HG3 GLU 9 2HG GLU 9 -6.096 -5.607 -18.477 42 HA PRO 10 HA PRO 10 -9.295 0.060 -19.440 43 HB2 PRO 10 1HB PRO 10 -8.137 1.499 -17.451 44 HB3 PRO 10 2HB PRO 10 -9.681 0.661 -17.256 45 HG2 PRO 10 1HG PRO 10 -6.941 -0.191 -16.400 46 HG3 PRO 10 2HG PRO 10 -8.475 -0.301 -15.516 47 HD2 PRO 10 1HD PRO 10 -7.377 -2.418 -16.798 48 HD3 PRO 10 2HD PRO 10 -9.132 -2.202 -16.642 49 H SER 11 H SER 11 -8.190 2.003 -20.155 50 HA SER 11 HA SER 11 -5.424 1.431 -20.962 51 HB2 SER 11 1HB SER 11 -7.601 3.133 -22.154 52 HB3 SER 11 2HB SER 11 -5.913 3.371 -22.606 53 HG SER 11 HG SER 11 -7.335 1.806 -23.849 54 H GLY 12 H GLY 12 -3.785 2.951 -20.704 55 HA2 GLY 12 1HA GLY 12 -2.700 4.794 -19.834 56 HA3 GLY 12 2HA GLY 12 -4.270 5.525 -19.539 57 H VAL 13 H VAL 13 -1.663 5.020 -17.941 58 HA VAL 13 HA VAL 13 -1.984 3.333 -15.824 59 HB VAL 13 HB VAL 13 -0.926 6.160 -15.695 60 HG11 VAL 13 1HG1 VAL 13 -0.686 3.849 -13.781 61 HG12 VAL 13 2HG1 VAL 13 0.383 5.252 -13.746 62 HG13 VAL 13 3HG1 VAL 13 -1.347 5.453 -13.467 63 HG21 VAL 13 1HG2 VAL 13 0.575 3.569 -16.038 64 HG22 VAL 13 2HG2 VAL 13 0.157 4.658 -17.361 65 HG23 VAL 13 3HG2 VAL 13 1.240 5.202 -16.080 66 H GLU 14 H GLU 14 -3.311 6.623 -16.086 67 HA GLU 14 HA GLU 14 -4.531 6.762 -13.588 68 HB2 GLU 14 1HB GLU 14 -5.321 8.009 -16.222 69 HB3 GLU 14 2HB GLU 14 -6.088 8.410 -14.692 70 HG2 GLU 14 1HG GLU 14 -3.720 8.961 -13.877 71 HG3 GLU 14 2HG GLU 14 -3.286 8.957 -15.586 72 H GLY 15 H GLY 15 -6.061 5.881 -16.694 73 HA2 GLY 15 1HA GLY 15 -8.578 5.279 -16.027 74 HA3 GLY 15 2HA GLY 15 -7.650 4.228 -17.087 75 H ALA 16 H ALA 16 -5.862 3.071 -15.389 76 HA ALA 16 HA ALA 16 -7.113 0.901 -14.358 77 HB1 ALA 16 1HB ALA 16 -4.967 0.405 -14.068 78 HB2 ALA 16 2HB ALA 16 -4.514 2.110 -14.048 79 HB3 ALA 16 3HB ALA 16 -5.026 1.316 -12.559 80 H ALA 17 H ALA 17 -6.163 3.727 -12.394 81 HA ALA 17 HA ALA 17 -7.031 3.165 -9.944 82 HB1 ALA 17 1HB ALA 17 -6.974 5.608 -11.527 83 HB2 ALA 17 2HB ALA 17 -8.172 5.648 -10.233 84 HB3 ALA 17 3HB ALA 17 -6.479 5.326 -9.858 85 H PHE 18 H PHE 18 -9.132 3.664 -12.707 86 HA PHE 18 HA PHE 18 -11.593 4.060 -11.688 87 HB2 PHE 18 1HB PHE 18 -11.554 3.788 -13.997 88 HB3 PHE 18 2HB PHE 18 -10.656 2.276 -13.905 89 HD1 PHE 18 2HD PHE 18 -13.969 3.751 -13.075 90 HD2 PHE 18 1HD PHE 18 -11.768 0.265 -14.134 91 HE1 PHE 18 2HE PHE 18 -16.072 2.494 -13.295 92 HE2 PHE 18 1HE PHE 18 -13.869 -0.998 -14.357 93 HZ PHE 18 HZ PHE 18 -16.024 0.117 -13.935 94 H GLN 19 H GLN 19 -10.076 0.844 -11.924 95 HA GLN 19 HA GLN 19 -11.940 -0.792 -10.890 96 HB2 GLN 19 1HB GLN 19 -10.100 -2.090 -9.817 97 HB3 GLN 19 2HB GLN 19 -9.773 -1.643 -11.486 98 HG2 GLN 19 1HG GLN 19 -7.775 -1.083 -10.607 99 HG3 GLN 19 2HG GLN 19 -8.620 0.430 -10.284 100 HE21 GLN 19 1HE2 GLN 19 -8.726 -2.729 -8.685 101 HE22 GLN 19 2HE2 GLN 19 -8.282 -2.146 -7.121 102 H SER 20 H SER 20 -9.981 1.480 -9.032 103 HA SER 20 HA SER 20 -11.411 0.735 -6.586 104 HB2 SER 20 1HB SER 20 -8.819 2.066 -7.177 105 HB3 SER 20 2HB SER 20 -9.665 2.579 -5.717 106 HG SER 20 HG SER 20 -9.033 0.801 -4.819 107 H ARG 21 H ARG 21 -12.548 2.238 -5.347 108 HA ARG 21 HA ARG 21 -13.669 4.437 -6.888 109 HB2 ARG 21 1HB ARG 21 -14.432 3.073 -4.320 110 HB3 ARG 21 2HB ARG 21 -15.155 4.609 -4.778 111 HG2 ARG 21 1HG ARG 21 -16.696 3.200 -5.661 112 HG3 ARG 21 2HG ARG 21 -15.599 3.310 -7.039 113 HD2 ARG 21 1HD ARG 21 -16.216 0.996 -6.609 114 HD3 ARG 21 2HD ARG 21 -14.495 1.248 -6.321 115 HE ARG 21 HE ARG 21 -15.554 1.573 -3.867 116 HH11 ARG 21 2HH1 ARG 21 -15.915 -0.910 -6.281 117 HH12 ARG 21 1HH1 ARG 21 -16.192 -2.173 -5.128 118 HH21 ARG 21 2HH2 ARG 21 -15.917 -0.081 -2.339 119 HH22 ARG 21 1HH2 ARG 21 -16.194 -1.700 -2.886 120 H LEU 22 H LEU 22 -11.009 4.852 -6.172 121 HA LEU 22 HA LEU 22 -11.281 7.047 -4.227 122 HB2 LEU 22 1HB LEU 22 -9.108 6.619 -3.370 123 HB3 LEU 22 2HB LEU 22 -10.001 5.100 -3.343 124 HG LEU 22 HG LEU 22 -8.763 4.742 -5.653 125 HD11 LEU 22 1HD1 LEU 22 -7.744 7.111 -5.294 126 HD12 LEU 22 2HD1 LEU 22 -6.740 5.806 -5.923 127 HD13 LEU 22 3HD1 LEU 22 -6.629 6.262 -4.223 128 HD21 LEU 22 1HD2 LEU 22 -8.135 4.116 -2.872 129 HD22 LEU 22 2HD2 LEU 22 -6.742 4.025 -3.950 130 HD23 LEU 22 3HD2 LEU 22 -8.184 3.067 -4.289 131 HA PRO 23 HA PRO 23 -9.734 9.692 -7.379 132 HB2 PRO 23 1HB PRO 23 -8.609 11.634 -5.853 133 HB3 PRO 23 2HB PRO 23 -10.357 11.440 -6.024 134 HG2 PRO 23 1HG PRO 23 -8.559 10.535 -3.809 135 HG3 PRO 23 2HG PRO 23 -10.158 11.295 -3.712 136 HD2 PRO 23 1HD PRO 23 -9.793 8.628 -3.421 137 HD3 PRO 23 2HD PRO 23 -11.263 9.318 -4.140 138 H HIS 24 H HIS 24 -7.950 9.771 -8.612 139 HA HIS 24 HA HIS 24 -5.519 8.548 -7.635 140 HB2 HIS 24 1HB HIS 24 -4.770 8.599 -9.917 141 HB3 HIS 24 2HB HIS 24 -6.458 8.098 -9.918 142 HD1 HIS 24 1HD HIS 24 -8.156 9.662 -11.027 143 HD2 HIS 24 2HD HIS 24 -4.274 11.143 -11.029 144 HE1 HIS 24 1HE HIS 24 -8.188 11.630 -12.593 145 HE2 HIS 24 2HE HIS 24 -5.810 12.458 -12.643 146 H ASP 25 H ASP 25 -6.761 11.712 -8.041 147 HA ASP 25 HA ASP 25 -4.168 12.993 -8.187 148 HB2 ASP 25 1HB ASP 25 -6.984 14.059 -7.969 149 HB3 ASP 25 2HB ASP 25 -5.564 15.102 -7.949 150 H ARG 26 H ARG 26 -6.570 12.211 -5.778 151 HA ARG 26 HA ARG 26 -4.762 13.268 -3.713 152 HB2 ARG 26 1HB ARG 26 -6.767 13.897 -2.375 153 HB3 ARG 26 2HB ARG 26 -6.580 14.838 -3.849 154 HG2 ARG 26 1HG ARG 26 -8.246 13.369 -4.944 155 HG3 ARG 26 2HG ARG 26 -8.488 12.555 -3.396 156 HD2 ARG 26 1HD ARG 26 -8.860 15.044 -2.570 157 HD3 ARG 26 2HD ARG 26 -9.288 15.283 -4.263 158 HE ARG 26 HE ARG 26 -11.190 14.017 -3.944 159 HH11 ARG 26 2HH1 ARG 26 -9.128 13.814 -1.146 160 HH12 ARG 26 1HH1 ARG 26 -10.329 13.056 -0.154 161 HH21 ARG 26 2HH2 ARG 26 -12.780 13.019 -2.648 162 HH22 ARG 26 1HH2 ARG 26 -12.405 12.603 -1.010 163 H MET 27 H MET 27 -5.192 12.293 -1.543 164 HA MET 27 HA MET 27 -5.658 9.426 -1.873 165 HB2 MET 27 1HB MET 27 -4.514 10.915 0.496 166 HB3 MET 27 2HB MET 27 -4.532 9.171 0.269 167 HG2 MET 27 1HG MET 27 -2.943 9.267 -1.452 168 HG3 MET 27 2HG MET 27 -3.150 11.005 -1.656 169 HE1 MET 27 1HE MET 27 -1.045 8.302 0.795 170 HE2 MET 27 2HE MET 27 -1.584 9.214 2.205 171 HE3 MET 27 3HE MET 27 -2.769 8.530 1.091 172 H THR 28 H THR 28 -6.756 8.283 -0.043 173 HA THR 28 HA THR 28 -9.111 9.832 0.809 174 HB THR 28 HB THR 28 -10.323 7.707 0.936 175 HG1 THR 28 1HG THR 28 -7.865 6.599 0.007 176 HG21 THR 28 1HG2 THR 28 -8.909 8.164 -1.693 177 HG22 THR 28 2HG2 THR 28 -10.425 8.895 -1.166 178 HG23 THR 28 3HG2 THR 28 -10.345 7.163 -1.486 179 H SER 29 H SER 29 -10.167 8.873 2.837 180 HA SER 29 HA SER 29 -8.616 9.314 5.044 181 HB2 SER 29 1HB SER 29 -11.145 7.775 4.614 182 HB3 SER 29 2HB SER 29 -10.360 7.695 6.192 183 HG SER 29 HG SER 29 -11.497 9.900 4.874 184 H GLN 30 H GLN 30 -9.126 6.257 3.360 185 HA GLN 30 HA GLN 30 -7.796 4.608 5.224 186 HB2 GLN 30 1HB GLN 30 -9.321 4.018 3.172 187 HB3 GLN 30 2HB GLN 30 -7.796 3.986 2.296 188 HG2 GLN 30 1HG GLN 30 -8.648 2.258 4.597 189 HG3 GLN 30 2HG GLN 30 -8.249 1.769 2.951 190 HE21 GLN 30 1HE2 GLN 30 -5.925 2.857 2.398 191 HE22 GLN 30 2HE2 GLN 30 -4.698 2.374 3.514 192 H GLU 31 H GLU 31 -6.639 5.656 2.013 193 HA GLU 31 HA GLU 31 -4.021 4.851 2.248 194 HB2 GLU 31 1HB GLU 31 -5.133 7.273 0.827 195 HB3 GLU 31 2HB GLU 31 -3.491 6.682 0.617 196 HG2 GLU 31 1HG GLU 31 -4.351 4.566 -0.232 197 HG3 GLU 31 2HG GLU 31 -6.002 5.142 -0.006 198 H ALA 32 H ALA 32 -5.538 7.755 3.513 199 HA ALA 32 HA ALA 32 -3.185 9.120 4.262 200 HB1 ALA 32 1HB ALA 32 -5.519 9.555 5.981 201 HB2 ALA 32 2HB ALA 32 -4.580 10.702 5.025 202 HB3 ALA 32 3HB ALA 32 -5.836 9.732 4.255 203 H ALA 33 H ALA 33 -5.158 6.700 5.887 204 HA ALA 33 HA ALA 33 -3.841 6.925 8.411 205 HB1 ALA 33 1HB ALA 33 -4.936 4.525 8.618 206 HB2 ALA 33 2HB ALA 33 -5.903 5.998 8.705 207 HB3 ALA 33 3HB ALA 33 -5.828 5.079 7.201 208 H CYS 34 H CYS 34 -3.551 4.718 5.650 209 HA CYS 34 HA CYS 34 -1.547 3.089 6.844 210 HB2 CYS 34 1HB CYS 34 -2.754 3.369 4.139 211 HB3 CYS 34 2HB CYS 34 -1.180 2.588 4.241 212 HG CYS 34 HG CYS 34 -2.423 0.327 4.436 213 H PHE 35 H PHE 35 -1.485 5.861 4.657 214 HA PHE 35 HA PHE 35 1.429 6.015 5.064 215 HB2 PHE 35 1HB PHE 35 -0.052 7.010 2.626 216 HB3 PHE 35 2HB PHE 35 1.692 6.915 2.851 217 HD1 PHE 35 2HD PHE 35 -1.327 4.730 2.825 218 HD2 PHE 35 1HD PHE 35 2.826 5.115 1.978 219 HE1 PHE 35 2HE PHE 35 -1.326 2.483 1.824 220 HE2 PHE 35 1HE PHE 35 2.834 2.869 0.973 221 HZ PHE 35 HZ PHE 35 0.756 1.549 0.897 222 HA PRO 36 HA PRO 36 -0.347 9.799 6.944 223 HB2 PRO 36 1HB PRO 36 1.579 10.005 8.846 224 HB3 PRO 36 2HB PRO 36 0.154 8.974 9.029 225 HG2 PRO 36 1HG PRO 36 2.937 8.232 8.210 226 HG3 PRO 36 2HG PRO 36 1.837 7.396 9.322 227 HD2 PRO 36 1HD PRO 36 2.204 6.597 6.761 228 HD3 PRO 36 2HD PRO 36 0.656 6.404 7.608 229 H ASP 37 H ASP 37 3.106 9.117 6.392 230 HA ASP 37 HA ASP 37 3.992 11.756 6.228 231 HB2 ASP 37 1HB ASP 37 5.051 9.302 4.811 232 HB3 ASP 37 2HB ASP 37 5.910 10.834 4.949 233 H ILE 38 H ILE 38 2.691 9.622 3.727 234 HA ILE 38 HA ILE 38 3.149 11.338 1.538 235 HB ILE 38 HB ILE 38 0.972 9.267 1.845 236 HG12 ILE 38 1HG1 ILE 38 3.317 8.439 2.215 237 HG13 ILE 38 2HG1 ILE 38 2.489 7.694 0.852 238 HG21 ILE 38 1HG2 ILE 38 0.967 11.085 -0.052 239 HG22 ILE 38 2HG2 ILE 38 2.189 10.031 -0.763 240 HG23 ILE 38 3HG2 ILE 38 0.580 9.402 -0.410 241 HD11 ILE 38 1HD1 ILE 38 3.873 8.635 -0.676 242 HD12 ILE 38 2HD1 ILE 38 4.160 10.074 0.303 243 HD13 ILE 38 3HD1 ILE 38 4.979 8.563 0.695 244 H ILE 39 H ILE 39 0.157 10.734 3.385 245 HA ILE 39 HA ILE 39 -1.410 12.674 2.125 246 HB ILE 39 HB ILE 39 -2.387 10.951 3.546 247 HG12 ILE 39 1HG1 ILE 39 -3.794 12.575 5.039 248 HG13 ILE 39 2HG1 ILE 39 -2.888 13.834 4.207 249 HG21 ILE 39 1HG2 ILE 39 -0.682 10.817 5.258 250 HG22 ILE 39 2HG2 ILE 39 -1.084 12.439 5.821 251 HG23 ILE 39 3HG2 ILE 39 -2.251 11.129 6.000 252 HD11 ILE 39 1HD1 ILE 39 -4.959 11.985 3.175 253 HD12 ILE 39 2HD1 ILE 39 -4.703 13.700 2.853 254 HD13 ILE 39 3HD1 ILE 39 -3.677 12.494 2.077 255 H SER 40 H SER 40 0.867 12.920 4.782 256 HA SER 40 HA SER 40 0.181 15.729 5.203 257 HB2 SER 40 1HB SER 40 0.723 13.920 7.050 258 HB3 SER 40 2HB SER 40 2.392 14.361 6.686 259 HG SER 40 HG SER 40 0.512 15.728 8.087 260 H GLY 41 H GLY 41 1.398 14.919 2.710 261 HA2 GLY 41 1HA GLY 41 3.927 16.431 2.929 262 HA3 GLY 41 2HA GLY 41 3.771 15.026 1.885 263 HA PRO 42 HA PRO 42 2.821 18.974 -0.473 264 HB2 PRO 42 1HB PRO 42 4.775 18.680 -2.335 265 HB3 PRO 42 2HB PRO 42 5.028 19.523 -0.802 266 HG2 PRO 42 1HG PRO 42 5.747 16.718 -1.562 267 HG3 PRO 42 2HG PRO 42 6.698 17.911 -0.659 268 HD2 PRO 42 1HD PRO 42 5.340 15.909 0.556 269 HD3 PRO 42 2HD PRO 42 5.578 17.498 1.312 270 H GLN 43 H GLN 43 1.629 19.029 -2.342 271 HA GLN 43 HA GLN 43 0.167 16.979 -3.238 272 HB2 GLN 43 1HB GLN 43 -0.205 18.156 -5.304 273 HB3 GLN 43 2HB GLN 43 -0.037 19.337 -4.012 274 HG2 GLN 43 1HG GLN 43 2.467 19.355 -4.772 275 HG3 GLN 43 2HG GLN 43 1.795 18.725 -6.275 276 HE21 GLN 43 1HE2 GLN 43 2.185 21.463 -4.252 277 HE22 GLN 43 2HE2 GLN 43 1.401 22.612 -5.276 278 H GLN 44 H GLN 44 3.420 17.747 -4.398 279 HA GLN 44 HA GLN 44 3.625 15.911 -6.463 280 HB2 GLN 44 1HB GLN 44 5.300 17.692 -5.795 281 HB3 GLN 44 2HB GLN 44 5.870 16.577 -4.560 282 HG2 GLN 44 1HG GLN 44 6.497 14.969 -6.249 283 HG3 GLN 44 2HG GLN 44 5.837 16.004 -7.514 284 HE21 GLN 44 1HE2 GLN 44 8.592 14.947 -6.838 285 HE22 GLN 44 2HE2 GLN 44 9.603 16.346 -6.897 286 H THR 45 H THR 45 4.717 15.439 -3.098 287 HA THR 45 HA THR 45 5.434 12.776 -3.282 288 HB THR 45 HB THR 45 4.251 14.246 -0.922 289 HG1 THR 45 1HG THR 45 6.422 14.488 -0.346 290 HG21 THR 45 1HG2 THR 45 4.572 11.488 -1.195 291 HG22 THR 45 2HG2 THR 45 4.352 12.386 0.307 292 HG23 THR 45 3HG2 THR 45 5.977 12.020 -0.273 293 H GLN 46 H GLN 46 2.257 14.148 -2.481 294 HA GLN 46 HA GLN 46 0.909 11.767 -1.960 295 HB2 GLN 46 1HB GLN 46 -0.089 14.371 -3.115 296 HB3 GLN 46 2HB GLN 46 -1.151 13.053 -2.638 297 HG2 GLN 46 1HG GLN 46 -0.299 13.215 -0.344 298 HG3 GLN 46 2HG GLN 46 0.725 14.564 -0.833 299 HE21 GLN 46 1HE2 GLN 46 -1.129 14.776 1.206 300 HE22 GLN 46 2HE2 GLN 46 -2.387 15.855 0.717 301 H LYS 47 H LYS 47 1.208 13.545 -5.027 302 HA LYS 47 HA LYS 47 -0.272 11.736 -6.589 303 HB2 LYS 47 1HB LYS 47 1.949 13.626 -7.389 304 HB3 LYS 47 2HB LYS 47 0.892 12.791 -8.521 305 HG2 LYS 47 1HG LYS 47 -1.038 13.951 -7.591 306 HG3 LYS 47 2HG LYS 47 0.009 14.773 -6.431 307 HD2 LYS 47 1HD LYS 47 0.396 14.978 -9.409 308 HD3 LYS 47 2HD LYS 47 -0.629 16.091 -8.500 309 HE2 LYS 47 1HE LYS 47 1.317 17.265 -8.424 310 HE3 LYS 47 2HE LYS 47 1.551 16.261 -6.994 311 HZ1 LYS 47 1HZ LYS 47 3.396 16.454 -8.812 312 HZ2 LYS 47 2HZ LYS 47 2.488 15.254 -9.584 313 HZ3 LYS 47 3HZ LYS 47 3.108 14.979 -8.034 314 H VAL 48 H VAL 48 3.201 11.954 -5.915 315 HA VAL 48 HA VAL 48 4.174 10.021 -7.618 316 HB VAL 48 HB VAL 48 5.065 10.587 -4.787 317 HG11 VAL 48 1HG1 VAL 48 6.405 9.065 -7.015 318 HG12 VAL 48 2HG1 VAL 48 7.247 9.647 -5.577 319 HG13 VAL 48 3HG1 VAL 48 5.949 8.463 -5.422 320 HG21 VAL 48 1HG2 VAL 48 5.087 12.264 -6.955 321 HG22 VAL 48 2HG2 VAL 48 6.156 12.385 -5.558 322 HG23 VAL 48 3HG2 VAL 48 6.697 11.545 -7.011 323 H PHE 49 H PHE 49 2.732 9.579 -4.411 324 HA PHE 49 HA PHE 49 3.099 6.741 -4.410 325 HB2 PHE 49 1HB PHE 49 2.946 7.491 -2.246 326 HB3 PHE 49 2HB PHE 49 1.764 8.733 -2.646 327 HD1 PHE 49 1HD PHE 49 -0.616 8.000 -3.134 328 HD2 PHE 49 2HD PHE 49 2.280 5.458 -1.326 329 HE1 PHE 49 1HE PHE 49 -2.419 6.561 -2.277 330 HE2 PHE 49 2HE PHE 49 0.482 4.014 -0.468 331 HZ PHE 49 HZ PHE 49 -1.871 4.564 -0.944 332 H LEU 50 H LEU 50 0.386 8.918 -5.065 333 HA LEU 50 HA LEU 50 -1.563 6.912 -5.435 334 HB2 LEU 50 1HB LEU 50 -1.313 9.786 -6.178 335 HB3 LEU 50 2HB LEU 50 -2.600 8.829 -6.909 336 HG LEU 50 HG LEU 50 -2.265 8.941 -3.931 337 HD11 LEU 50 1HD1 LEU 50 -4.290 10.726 -4.992 338 HD12 LEU 50 2HD1 LEU 50 -2.658 11.210 -5.452 339 HD13 LEU 50 3HD1 LEU 50 -3.070 11.007 -3.749 340 HD21 LEU 50 1HD2 LEU 50 -3.805 7.341 -5.340 341 HD22 LEU 50 2HD2 LEU 50 -4.848 8.761 -5.402 342 HD23 LEU 50 3HD2 LEU 50 -4.383 8.075 -3.844 343 H PHE 51 H PHE 51 1.125 7.711 -7.279 344 HA PHE 51 HA PHE 51 -0.061 6.823 -9.799 345 HB2 PHE 51 1HB PHE 51 1.342 8.778 -9.973 346 HB3 PHE 51 2HB PHE 51 2.661 7.961 -9.141 347 HD1 PHE 51 1HD PHE 51 3.497 5.755 -10.298 348 HD2 PHE 51 2HD PHE 51 1.372 8.874 -12.267 349 HE1 PHE 51 1HE PHE 51 4.391 4.995 -12.461 350 HE2 PHE 51 2HE PHE 51 2.262 8.118 -14.433 351 HZ PHE 51 HZ PHE 51 3.774 6.176 -14.532 352 H ILE 52 H ILE 52 2.380 5.891 -7.435 353 HA ILE 52 HA ILE 52 3.504 3.724 -8.790 354 HB ILE 52 HB ILE 52 3.102 4.074 -5.818 355 HG12 ILE 52 1HG1 ILE 52 5.693 4.474 -7.262 356 HG13 ILE 52 2HG1 ILE 52 4.485 5.754 -7.302 357 HG21 ILE 52 1HG2 ILE 52 4.277 2.199 -5.421 358 HG22 ILE 52 2HG2 ILE 52 3.747 1.747 -7.041 359 HG23 ILE 52 3HG2 ILE 52 5.345 2.454 -6.801 360 HD11 ILE 52 1HD1 ILE 52 5.027 6.417 -5.262 361 HD12 ILE 52 2HD1 ILE 52 4.876 4.781 -4.619 362 HD13 ILE 52 3HD1 ILE 52 6.395 5.308 -5.342 363 H ARG 53 H ARG 53 0.651 3.899 -6.705 364 HA ARG 53 HA ARG 53 0.114 1.133 -6.630 365 HB2 ARG 53 1HB ARG 53 -0.906 2.645 -5.034 366 HB3 ARG 53 2HB ARG 53 -1.735 3.503 -6.325 367 HG2 ARG 53 1HG ARG 53 -2.709 1.075 -6.786 368 HG3 ARG 53 2HG ARG 53 -2.362 0.902 -5.064 369 HD2 ARG 53 1HD ARG 53 -4.623 1.666 -5.320 370 HD3 ARG 53 2HD ARG 53 -3.656 2.978 -4.649 371 HE ARG 53 HE ARG 53 -3.554 3.586 -7.220 372 HH11 ARG 53 2HH1 ARG 53 -6.256 2.536 -5.292 373 HH12 ARG 53 1HH1 ARG 53 -7.430 3.394 -6.234 374 HH21 ARG 53 2HH2 ARG 53 -5.090 4.720 -8.469 375 HH22 ARG 53 1HH2 ARG 53 -6.765 4.635 -8.042 376 H ASN 54 H ASN 54 -1.559 3.668 -8.508 377 HA ASN 54 HA ASN 54 -3.188 2.152 -10.062 378 HB2 ASN 54 1HB ASN 54 -1.718 4.701 -10.558 379 HB3 ASN 54 2HB ASN 54 -2.530 3.936 -11.921 380 HD21 ASN 54 1HD2 ASN 54 -2.958 6.371 -10.052 381 HD22 ASN 54 2HD2 ASN 54 -4.650 6.297 -9.714 382 H ARG 55 H ARG 55 0.142 3.050 -10.978 383 HA ARG 55 HA ARG 55 0.322 1.580 -13.314 384 HB2 ARG 55 1HB ARG 55 2.009 3.221 -12.505 385 HB3 ARG 55 2HB ARG 55 2.550 2.036 -11.323 386 HG2 ARG 55 1HG ARG 55 4.060 1.976 -13.155 387 HG3 ARG 55 2HG ARG 55 3.087 0.505 -13.219 388 HD2 ARG 55 1HD ARG 55 1.600 1.681 -14.866 389 HD3 ARG 55 2HD ARG 55 2.788 2.984 -14.904 390 HE ARG 55 HE ARG 55 3.830 0.345 -15.469 391 HH11 ARG 55 2HH1 ARG 55 2.505 3.294 -16.760 392 HH12 ARG 55 1HH1 ARG 55 3.177 3.058 -18.340 393 HH21 ARG 55 2HH2 ARG 55 4.719 0.022 -17.544 394 HH22 ARG 55 1HH2 ARG 55 4.435 1.196 -18.785 395 H THR 56 H THR 56 1.145 0.558 -10.010 396 HA THR 56 HA THR 56 2.095 -1.981 -10.529 397 HB THR 56 HB THR 56 0.416 -1.094 -8.175 398 HG1 THR 56 1HG THR 56 2.769 -0.299 -8.886 399 HG21 THR 56 1HG2 THR 56 0.367 -3.326 -7.785 400 HG22 THR 56 2HG2 THR 56 2.006 -3.038 -7.201 401 HG23 THR 56 3HG2 THR 56 1.746 -3.647 -8.835 402 H LEU 57 H LEU 57 -1.254 -0.893 -10.232 403 HA LEU 57 HA LEU 57 -2.410 -3.485 -10.383 404 HB2 LEU 57 1HB LEU 57 -3.383 -0.689 -10.553 405 HB3 LEU 57 2HB LEU 57 -4.419 -1.951 -11.216 406 HG LEU 57 HG LEU 57 -3.369 -2.085 -8.404 407 HD11 LEU 57 1HD1 LEU 57 -4.597 -0.309 -7.877 408 HD12 LEU 57 2HD1 LEU 57 -6.017 -1.281 -8.262 409 HD13 LEU 57 3HD1 LEU 57 -5.309 -0.232 -9.490 410 HD21 LEU 57 1HD2 LEU 57 -4.660 -3.926 -9.939 411 HD22 LEU 57 2HD2 LEU 57 -6.008 -3.145 -9.112 412 HD23 LEU 57 3HD2 LEU 57 -4.701 -3.873 -8.176 413 H GLN 58 H GLN 58 -1.762 -0.957 -12.776 414 HA GLN 58 HA GLN 58 -3.030 -1.949 -14.988 415 HB2 GLN 58 1HB GLN 58 -0.527 -0.390 -14.583 416 HB3 GLN 58 2HB GLN 58 -0.826 -1.049 -16.186 417 HG2 GLN 58 1HG GLN 58 -2.697 0.748 -14.659 418 HG3 GLN 58 2HG GLN 58 -1.622 1.250 -15.963 419 HE21 GLN 58 1HE2 GLN 58 -2.021 0.450 -18.081 420 HE22 GLN 58 2HE2 GLN 58 -3.607 -0.055 -18.545 421 H LEU 59 H LEU 59 0.334 -2.706 -14.068 422 HA LEU 59 HA LEU 59 0.769 -4.648 -16.031 423 HB2 LEU 59 1HB LEU 59 1.999 -4.591 -13.283 424 HB3 LEU 59 2HB LEU 59 2.666 -5.340 -14.732 425 HG LEU 59 HG LEU 59 2.200 -2.381 -14.605 426 HD11 LEU 59 1HD1 LEU 59 4.402 -3.966 -13.358 427 HD12 LEU 59 2HD1 LEU 59 3.551 -2.549 -12.744 428 HD13 LEU 59 3HD1 LEU 59 4.735 -2.373 -14.039 429 HD21 LEU 59 1HD2 LEU 59 3.020 -4.099 -16.603 430 HD22 LEU 59 2HD2 LEU 59 4.529 -3.418 -15.997 431 HD23 LEU 59 3HD2 LEU 59 3.248 -2.351 -16.572 432 H TRP 60 H TRP 60 -0.771 -4.839 -12.901 433 HA TRP 60 HA TRP 60 -0.764 -7.668 -12.674 434 HB2 TRP 60 1HB TRP 60 -1.180 -6.672 -10.637 435 HB3 TRP 60 2HB TRP 60 -2.206 -5.423 -11.337 436 HD1 TRP 60 HD TRP 60 -4.731 -5.740 -11.010 437 HE1 TRP 60 1HE TRP 60 -6.257 -7.676 -10.268 438 HE3 TRP 60 3HE TRP 60 -1.251 -9.479 -10.786 439 HZ2 TRP 60 2HZ TRP 60 -6.018 -10.423 -9.667 440 HZ3 TRP 60 3HZ TRP 60 -1.982 -11.732 -10.118 441 HH2 TRP 60 HH TRP 60 -4.316 -12.192 -9.570 442 H LEU 61 H LEU 61 -3.207 -5.351 -13.816 443 HA LEU 61 HA LEU 61 -5.161 -7.294 -14.449 444 HB2 LEU 61 1HB LEU 61 -4.711 -4.435 -15.186 445 HB3 LEU 61 2HB LEU 61 -5.952 -5.365 -16.023 446 HG LEU 61 HG LEU 61 -5.875 -5.045 -13.029 447 HD11 LEU 61 1HD1 LEU 61 -7.546 -3.460 -14.968 448 HD12 LEU 61 2HD1 LEU 61 -6.067 -2.855 -14.222 449 HD13 LEU 61 3HD1 LEU 61 -7.455 -3.273 -13.216 450 HD21 LEU 61 1HD2 LEU 61 -7.832 -6.169 -12.980 451 HD22 LEU 61 2HD2 LEU 61 -7.218 -6.861 -14.482 452 HD23 LEU 61 3HD2 LEU 61 -8.369 -5.525 -14.532 453 H ASP 62 H ASP 62 -2.278 -6.325 -16.012 454 HA ASP 62 HA ASP 62 -3.096 -7.223 -18.643 455 HB2 ASP 62 1HB ASP 62 -1.503 -5.317 -18.297 456 HB3 ASP 62 2HB ASP 62 -0.326 -6.478 -17.690 457 H ASN 63 H ASN 63 -1.261 -8.413 -15.907 458 HA ASN 63 HA ASN 63 -1.102 -11.032 -17.234 459 HB2 ASN 63 1HB ASN 63 1.113 -9.591 -17.011 460 HB3 ASN 63 2HB ASN 63 1.086 -10.224 -15.368 461 HD21 ASN 63 1HD2 ASN 63 3.088 -11.251 -15.998 462 HD22 ASN 63 2HD2 ASN 63 3.037 -12.757 -16.843 463 HA PRO 64 HA PRO 64 -2.909 -11.041 -12.855 464 HB2 PRO 64 1HB PRO 64 -5.437 -11.758 -13.538 465 HB3 PRO 64 2HB PRO 64 -4.915 -10.073 -13.418 466 HG2 PRO 64 1HG PRO 64 -5.215 -11.796 -15.848 467 HG3 PRO 64 2HG PRO 64 -5.689 -10.104 -15.611 468 HD2 PRO 64 1HD PRO 64 -3.424 -10.813 -16.915 469 HD3 PRO 64 2HD PRO 64 -3.547 -9.324 -15.956 470 H LYS 65 H LYS 65 -2.095 -13.066 -15.298 471 HA LYS 65 HA LYS 65 -3.312 -15.487 -14.272 472 HB2 LYS 65 1HB LYS 65 -1.884 -16.584 -16.041 473 HB3 LYS 65 2HB LYS 65 -3.055 -15.415 -16.636 474 HG2 LYS 65 1HG LYS 65 -1.464 -13.957 -17.324 475 HG3 LYS 65 2HG LYS 65 -0.337 -14.409 -16.042 476 HD2 LYS 65 1HD LYS 65 0.604 -15.173 -18.086 477 HD3 LYS 65 2HD LYS 65 -0.017 -16.597 -17.249 478 HE2 LYS 65 1HE LYS 65 -1.705 -16.915 -18.756 479 HE3 LYS 65 2HE LYS 65 -1.826 -15.200 -19.146 480 HZ1 LYS 65 1HZ LYS 65 0.190 -15.362 -20.434 481 HZ2 LYS 65 2HZ LYS 65 -0.921 -16.514 -20.982 482 HZ3 LYS 65 3HZ LYS 65 0.381 -16.990 -20.012 483 H ILE 66 H ILE 66 -0.605 -13.620 -13.556 484 HA ILE 66 HA ILE 66 0.552 -15.842 -12.021 485 HB ILE 66 HB ILE 66 2.788 -15.246 -12.563 486 HG12 ILE 66 1HG1 ILE 66 1.761 -13.010 -14.313 487 HG13 ILE 66 2HG1 ILE 66 2.282 -12.759 -12.651 488 HG21 ILE 66 1HG2 ILE 66 0.989 -15.438 -14.957 489 HG22 ILE 66 2HG2 ILE 66 2.745 -15.417 -15.112 490 HG23 ILE 66 3HG2 ILE 66 1.956 -16.702 -14.198 491 HD11 ILE 66 1HD1 ILE 66 4.183 -14.165 -14.407 492 HD12 ILE 66 2HD1 ILE 66 3.887 -12.464 -14.767 493 HD13 ILE 66 3HD1 ILE 66 4.463 -12.940 -13.170 494 H GLN 67 H GLN 67 1.750 -15.196 -10.144 495 HA GLN 67 HA GLN 67 0.554 -13.017 -8.763 496 HB2 GLN 67 1HB GLN 67 1.713 -13.753 -6.877 497 HB3 GLN 67 2HB GLN 67 1.483 -15.227 -7.808 498 HG2 GLN 67 1HG GLN 67 3.995 -13.571 -7.716 499 HG3 GLN 67 2HG GLN 67 3.725 -15.100 -6.881 500 HE21 GLN 67 1HE2 GLN 67 5.129 -13.742 -9.496 501 HE22 GLN 67 2HE2 GLN 67 5.178 -15.107 -10.553 502 H LEU 68 H LEU 68 1.219 -10.974 -8.493 503 HA LEU 68 HA LEU 68 3.619 -10.125 -9.914 504 HB2 LEU 68 1HB LEU 68 1.370 -8.998 -10.164 505 HB3 LEU 68 2HB LEU 68 1.593 -8.387 -8.526 506 HG LEU 68 HG LEU 68 3.632 -7.206 -9.290 507 HD11 LEU 68 1HD1 LEU 68 4.578 -7.737 -11.221 508 HD12 LEU 68 2HD1 LEU 68 3.152 -7.149 -12.074 509 HD13 LEU 68 3HD1 LEU 68 3.253 -8.841 -11.589 510 HD21 LEU 68 1HD2 LEU 68 0.997 -6.493 -9.598 511 HD22 LEU 68 2HD2 LEU 68 1.685 -6.156 -11.187 512 HD23 LEU 68 3HD2 LEU 68 2.383 -5.412 -9.747 513 H THR 69 H THR 69 5.412 -10.408 -8.722 514 HA THR 69 HA THR 69 5.476 -10.104 -5.882 515 HB THR 69 HB THR 69 7.856 -10.495 -6.038 516 HG1 THR 69 1HG THR 69 8.843 -9.705 -7.728 517 HG21 THR 69 1HG2 THR 69 6.389 -12.191 -8.063 518 HG22 THR 69 2HG2 THR 69 6.377 -12.438 -6.317 519 HG23 THR 69 3HG2 THR 69 7.877 -12.628 -7.225 520 H PHE 70 H PHE 70 7.350 -8.681 -4.959 521 HA PHE 70 HA PHE 70 6.625 -5.968 -5.472 522 HB2 PHE 70 1HB PHE 70 7.147 -6.426 -3.228 523 HB3 PHE 70 2HB PHE 70 8.616 -7.298 -3.653 524 HD1 PHE 70 2HD PHE 70 7.090 -3.949 -3.415 525 HD2 PHE 70 1HD PHE 70 10.683 -6.182 -3.882 526 HE1 PHE 70 2HE PHE 70 8.405 -1.903 -3.047 527 HE2 PHE 70 1HE PHE 70 12.004 -4.139 -3.514 528 HZ PHE 70 HZ PHE 70 10.866 -1.996 -3.096 529 H GLU 71 H GLU 71 9.519 -7.919 -6.079 530 HA GLU 71 HA GLU 71 11.204 -5.940 -7.048 531 HB2 GLU 71 1HB GLU 71 10.958 -8.875 -7.618 532 HB3 GLU 71 2HB GLU 71 12.126 -7.899 -8.497 533 HG2 GLU 71 1HG GLU 71 12.792 -7.135 -6.061 534 HG3 GLU 71 2HG GLU 71 12.080 -8.691 -5.640 535 H ALA 72 H ALA 72 9.249 -8.161 -9.045 536 HA ALA 72 HA ALA 72 9.648 -7.062 -11.509 537 HB1 ALA 72 1HB ALA 72 6.865 -7.710 -11.270 538 HB2 ALA 72 2HB ALA 72 8.151 -8.591 -12.096 539 HB3 ALA 72 3HB ALA 72 7.837 -8.887 -10.386 540 H THR 73 H THR 73 6.967 -6.170 -9.328 541 HA THR 73 HA THR 73 5.871 -4.123 -10.812 542 HB THR 73 HB THR 73 6.128 -4.158 -7.798 543 HG1 THR 73 1HG THR 73 5.165 -6.072 -8.598 544 HG21 THR 73 1HG2 THR 73 4.524 -2.555 -9.730 545 HG22 THR 73 2HG2 THR 73 5.261 -2.074 -8.201 546 HG23 THR 73 3HG2 THR 73 3.773 -3.021 -8.204 547 H LEU 74 H LEU 74 8.606 -3.985 -8.571 548 HA LEU 74 HA LEU 74 8.963 -1.182 -8.676 549 HB2 LEU 74 1HB LEU 74 9.977 -2.259 -6.873 550 HB3 LEU 74 2HB LEU 74 10.712 -3.486 -7.902 551 HG LEU 74 HG LEU 74 12.047 -1.403 -8.834 552 HD11 LEU 74 1HD1 LEU 74 10.578 -0.085 -6.995 553 HD12 LEU 74 2HD1 LEU 74 12.170 0.435 -7.544 554 HD13 LEU 74 3HD1 LEU 74 12.010 -0.475 -6.043 555 HD21 LEU 74 1HD2 LEU 74 13.428 -3.001 -8.019 556 HD22 LEU 74 2HD2 LEU 74 12.490 -3.217 -6.541 557 HD23 LEU 74 3HD2 LEU 74 13.593 -1.848 -6.694 558 H GLN 75 H GLN 75 10.862 -3.774 -10.233 559 HA GLN 75 HA GLN 75 12.533 -2.271 -11.782 560 HB2 GLN 75 1HB GLN 75 11.169 -4.870 -12.491 561 HB3 GLN 75 2HB GLN 75 12.501 -4.180 -13.409 562 HG2 GLN 75 1HG GLN 75 12.875 -4.581 -10.493 563 HG3 GLN 75 2HG GLN 75 12.884 -5.999 -11.541 564 HE21 GLN 75 1HE2 GLN 75 14.345 -2.815 -11.108 565 HE22 GLN 75 2HE2 GLN 75 15.878 -3.228 -11.789 566 H GLN 76 H GLN 76 9.324 -3.452 -12.792 567 HA GLN 76 HA GLN 76 9.236 -2.228 -15.283 568 HB2 GLN 76 1HB GLN 76 6.973 -2.812 -13.368 569 HB3 GLN 76 2HB GLN 76 6.758 -2.370 -15.056 570 HG2 GLN 76 1HG GLN 76 7.545 -4.385 -15.828 571 HG3 GLN 76 2HG GLN 76 8.476 -4.703 -14.365 572 HE21 GLN 76 1HE2 GLN 76 6.855 -4.638 -12.353 573 HE22 GLN 76 2HE2 GLN 76 5.518 -5.719 -12.525 574 H LEU 77 H LEU 77 8.276 -0.962 -12.119 575 HA LEU 77 HA LEU 77 7.127 1.435 -12.927 576 HB2 LEU 77 1HB LEU 77 8.419 0.432 -10.466 577 HB3 LEU 77 2HB LEU 77 8.281 2.182 -10.619 578 HG LEU 77 HG LEU 77 5.852 0.506 -11.047 579 HD11 LEU 77 1HD1 LEU 77 7.401 0.417 -8.660 580 HD12 LEU 77 2HD1 LEU 77 5.838 -0.328 -8.996 581 HD13 LEU 77 3HD1 LEU 77 5.913 1.307 -8.338 582 HD21 LEU 77 1HD2 LEU 77 6.543 3.297 -10.543 583 HD22 LEU 77 2HD2 LEU 77 5.221 2.704 -9.538 584 HD23 LEU 77 3HD2 LEU 77 5.108 2.600 -11.295 585 H GLU 78 H GLU 78 8.092 3.648 -12.527 586 HA GLU 78 HA GLU 78 10.922 3.776 -13.296 587 HB2 GLU 78 1HB GLU 78 10.411 5.548 -14.934 588 HB3 GLU 78 2HB GLU 78 9.670 4.012 -15.363 589 HG2 GLU 78 1HG GLU 78 7.528 4.784 -14.526 590 HG3 GLU 78 2HG GLU 78 8.257 6.308 -14.025 591 H ALA 79 H ALA 79 12.004 5.054 -11.962 592 HA ALA 79 HA ALA 79 11.048 6.398 -9.804 593 HB1 ALA 79 1HB ALA 79 13.150 7.946 -10.246 594 HB2 ALA 79 2HB ALA 79 13.322 6.262 -9.750 595 HB3 ALA 79 3HB ALA 79 13.501 6.704 -11.448 596 HA PRO 80 HA PRO 80 11.967 8.414 -8.719 597 HB2 PRO 80 1HB PRO 80 10.308 9.912 -7.177 598 HB3 PRO 80 2HB PRO 80 11.603 10.612 -8.157 599 HG2 PRO 80 1HG PRO 80 8.675 10.414 -8.748 600 HG3 PRO 80 2HG PRO 80 9.778 11.779 -9.002 601 HD2 PRO 80 1HD PRO 80 9.027 10.121 -11.007 602 HD3 PRO 80 2HD PRO 80 10.623 10.896 -10.956 603 H TYR 81 H TYR 81 8.846 7.590 -9.771 604 HA TYR 81 HA TYR 81 7.476 6.654 -7.616 605 HB2 TYR 81 1HB TYR 81 7.763 5.011 -10.128 606 HB3 TYR 81 2HB TYR 81 6.367 5.127 -9.063 607 HD1 TYR 81 1HD TYR 81 6.197 8.083 -8.740 608 HD2 TYR 81 2HD TYR 81 6.910 5.705 -12.195 609 HE1 TYR 81 1HE TYR 81 5.264 9.867 -10.152 610 HE2 TYR 81 2HE TYR 81 5.980 7.483 -13.618 611 HH TYR 81 HH TYR 81 4.445 9.394 -13.408 612 H ASN 82 H ASN 82 9.804 4.685 -9.471 613 HA ASN 82 HA ASN 82 9.860 2.635 -7.470 614 HB2 ASN 82 1HB ASN 82 11.157 1.427 -8.947 615 HB3 ASN 82 2HB ASN 82 10.342 2.518 -10.064 616 HD21 ASN 82 1HD2 ASN 82 11.649 3.266 -11.550 617 HD22 ASN 82 2HD2 ASN 82 13.315 3.672 -11.339 618 H SER 83 H SER 83 11.813 5.425 -8.270 619 HA SER 83 HA SER 83 14.208 5.063 -7.135 620 HB2 SER 83 1HB SER 83 13.430 7.234 -8.013 621 HB3 SER 83 2HB SER 83 12.443 7.459 -6.569 622 HG SER 83 HG SER 83 14.154 8.226 -5.647 623 H ASP 84 H ASP 84 11.265 5.784 -5.273 624 HA ASP 84 HA ASP 84 12.675 5.222 -2.784 625 HB2 ASP 84 1HB ASP 84 9.975 6.366 -3.447 626 HB3 ASP 84 2HB ASP 84 10.345 5.812 -1.817 627 H THR 85 H THR 85 13.009 2.994 -2.952 628 HA THR 85 HA THR 85 11.117 1.071 -3.638 629 HB THR 85 HB THR 85 12.502 -0.512 -2.255 630 HG1 THR 85 1HG THR 85 14.489 1.369 -1.906 631 HG21 THR 85 1HG2 THR 85 14.698 0.191 -3.602 632 HG22 THR 85 2HG2 THR 85 13.531 1.221 -4.432 633 HG23 THR 85 3HG2 THR 85 13.295 -0.526 -4.391 634 H VAL 86 H VAL 86 11.899 2.438 -0.458 635 HA VAL 86 HA VAL 86 10.367 0.883 1.195 636 HB VAL 86 HB VAL 86 11.836 2.901 1.794 637 HG11 VAL 86 1HG1 VAL 86 10.579 4.995 2.194 638 HG12 VAL 86 2HG1 VAL 86 10.714 4.586 0.482 639 HG13 VAL 86 3HG1 VAL 86 9.201 4.297 1.342 640 HG21 VAL 86 1HG2 VAL 86 10.764 1.602 3.497 641 HG22 VAL 86 2HG2 VAL 86 10.541 3.307 3.888 642 HG23 VAL 86 3HG2 VAL 86 9.213 2.382 3.186 643 H LEU 87 H LEU 87 9.289 3.563 -0.843 644 HA LEU 87 HA LEU 87 6.606 3.566 0.093 645 HB2 LEU 87 1HB LEU 87 7.953 5.360 -1.232 646 HB3 LEU 87 2HB LEU 87 7.373 4.483 -2.647 647 HG LEU 87 HG LEU 87 5.063 4.923 -1.976 648 HD11 LEU 87 1HD1 LEU 87 6.347 6.373 0.329 649 HD12 LEU 87 2HD1 LEU 87 5.246 4.998 0.402 650 HD13 LEU 87 3HD1 LEU 87 4.659 6.568 -0.145 651 HD21 LEU 87 1HD2 LEU 87 7.008 6.913 -2.738 652 HD22 LEU 87 2HD2 LEU 87 5.663 7.641 -1.861 653 HD23 LEU 87 3HD2 LEU 87 5.355 6.679 -3.307 654 H VAL 88 H VAL 88 8.198 2.124 -2.730 655 HA VAL 88 HA VAL 88 5.918 1.055 -3.952 656 HB VAL 88 HB VAL 88 8.751 0.005 -3.987 657 HG11 VAL 88 1HG1 VAL 88 6.348 -1.135 -5.011 658 HG12 VAL 88 2HG1 VAL 88 7.358 -0.623 -6.364 659 HG13 VAL 88 3HG1 VAL 88 8.002 -1.730 -5.151 660 HG21 VAL 88 1HG2 VAL 88 7.769 2.387 -4.965 661 HG22 VAL 88 2HG2 VAL 88 9.244 1.578 -5.496 662 HG23 VAL 88 3HG2 VAL 88 7.735 1.325 -6.373 663 H HIS 89 H HIS 89 7.927 -0.148 -1.337 664 HA HIS 89 HA HIS 89 6.850 -2.778 -1.287 665 HB2 HIS 89 1HB HIS 89 9.041 -1.998 -0.252 666 HB3 HIS 89 2HB HIS 89 8.074 -1.328 1.059 667 HD1 HIS 89 1HD HIS 89 6.354 -3.290 2.123 668 HD2 HIS 89 2HD HIS 89 9.889 -4.494 0.302 669 HE1 HIS 89 1HE HIS 89 6.806 -5.604 2.997 670 HE2 HIS 89 2HE HIS 89 8.993 -6.278 1.947 671 H ARG 90 H ARG 90 6.067 0.221 0.408 672 HA ARG 90 HA ARG 90 4.098 -0.944 2.106 673 HB2 ARG 90 1HB ARG 90 4.566 1.929 1.287 674 HB3 ARG 90 2HB ARG 90 3.430 1.421 2.530 675 HG2 ARG 90 1HG ARG 90 5.168 0.658 3.940 676 HG3 ARG 90 2HG ARG 90 6.364 0.786 2.648 677 HD2 ARG 90 1HD ARG 90 6.823 2.719 3.763 678 HD3 ARG 90 2HD ARG 90 5.573 3.313 2.671 679 HE ARG 90 HE ARG 90 4.142 3.550 4.466 680 HH11 ARG 90 2HH1 ARG 90 7.022 1.852 5.438 681 HH12 ARG 90 1HH1 ARG 90 6.679 1.975 7.132 682 HH21 ARG 90 2HH2 ARG 90 3.680 3.717 6.693 683 HH22 ARG 90 1HH2 ARG 90 4.777 3.035 7.845 684 H VAL 91 H VAL 91 3.887 1.039 -0.845 685 HA VAL 91 HA VAL 91 1.112 1.078 -1.085 686 HB VAL 91 HB VAL 91 3.205 1.120 -3.263 687 HG11 VAL 91 1HG1 VAL 91 1.508 0.885 -4.688 688 HG12 VAL 91 2HG1 VAL 91 0.309 1.038 -3.403 689 HG13 VAL 91 3HG1 VAL 91 0.972 2.482 -4.168 690 HG21 VAL 91 1HG2 VAL 91 2.353 3.621 -3.167 691 HG22 VAL 91 2HG2 VAL 91 1.972 3.176 -1.503 692 HG23 VAL 91 3HG2 VAL 91 3.627 3.040 -2.095 693 H HIS 92 H HIS 92 3.382 -1.060 -2.826 694 HA HIS 92 HA HIS 92 1.599 -2.691 -4.104 695 HB2 HIS 92 1HB HIS 92 4.104 -2.782 -4.279 696 HB3 HIS 92 2HB HIS 92 4.122 -3.684 -2.767 697 HD1 HIS 92 1HD HIS 92 3.112 -6.109 -2.832 698 HD2 HIS 92 2HD HIS 92 3.453 -4.248 -6.531 699 HE1 HIS 92 1HE HIS 92 2.840 -7.940 -4.534 700 HE2 HIS 92 2HE HIS 92 3.136 -6.804 -6.762 701 H SER 93 H SER 93 2.428 -2.670 -0.714 702 HA SER 93 HA SER 93 1.307 -5.188 -0.048 703 HB2 SER 93 1HB SER 93 2.898 -3.570 1.309 704 HB3 SER 93 2HB SER 93 1.371 -2.953 1.939 705 HG SER 93 HG SER 93 2.035 -5.706 1.928 706 H TYR 94 H TYR 94 0.068 -1.895 0.552 707 HA TYR 94 HA TYR 94 -2.396 -2.448 1.549 708 HB2 TYR 94 1HB TYR 94 -2.029 -0.186 1.450 709 HB3 TYR 94 2HB TYR 94 -1.343 -0.258 -0.170 710 HD1 TYR 94 2HD TYR 94 -2.853 -0.403 -2.142 711 HD2 TYR 94 1HD TYR 94 -4.350 0.226 1.791 712 HE1 TYR 94 2HE TYR 94 -4.988 0.373 -3.085 713 HE2 TYR 94 1HE TYR 94 -6.490 1.003 0.859 714 HH TYR 94 HH TYR 94 -7.552 0.418 -2.041 715 H LEU 95 H LEU 95 -1.398 -2.651 -1.819 716 HA LEU 95 HA LEU 95 -3.996 -3.099 -2.882 717 HB2 LEU 95 1HB LEU 95 -1.234 -3.652 -3.936 718 HB3 LEU 95 2HB LEU 95 -2.696 -3.998 -4.858 719 HG LEU 95 HG LEU 95 -2.018 -1.244 -3.848 720 HD11 LEU 95 1HD1 LEU 95 -1.008 -0.725 -5.908 721 HD12 LEU 95 2HD1 LEU 95 -1.516 -2.249 -6.635 722 HD13 LEU 95 3HD1 LEU 95 -0.267 -2.239 -5.390 723 HD21 LEU 95 1HD2 LEU 95 -3.790 -0.504 -5.069 724 HD22 LEU 95 2HD2 LEU 95 -4.382 -2.118 -4.675 725 HD23 LEU 95 3HD2 LEU 95 -3.662 -1.803 -6.255 726 H GLU 96 H GLU 96 -1.257 -5.372 -2.594 727 HA GLU 96 HA GLU 96 -2.723 -7.689 -3.085 728 HB2 GLU 96 1HB GLU 96 -0.303 -7.687 -3.165 729 HB3 GLU 96 2HB GLU 96 -0.210 -7.306 -1.451 730 HG2 GLU 96 1HG GLU 96 -1.489 -9.516 -1.117 731 HG3 GLU 96 2HG GLU 96 -0.987 -9.873 -2.768 732 H ARG 97 H ARG 97 -1.608 -6.493 0.089 733 HA ARG 97 HA ARG 97 -2.782 -8.269 1.764 734 HB2 ARG 97 1HB ARG 97 -2.655 -5.269 2.111 735 HB3 ARG 97 2HB ARG 97 -3.018 -6.403 3.404 736 HG2 ARG 97 1HG ARG 97 -0.467 -6.426 1.809 737 HG3 ARG 97 2HG ARG 97 -0.665 -5.611 3.362 738 HD2 ARG 97 1HD ARG 97 -1.016 -8.561 2.839 739 HD3 ARG 97 2HD ARG 97 0.357 -7.806 3.648 740 HE ARG 97 HE ARG 97 -1.680 -6.995 5.176 741 HH11 ARG 97 2HH1 ARG 97 -0.861 -10.133 3.911 742 HH12 ARG 97 1HH1 ARG 97 -1.564 -10.996 5.239 743 HH21 ARG 97 2HH2 ARG 97 -2.609 -8.119 6.930 744 HH22 ARG 97 1HH2 ARG 97 -2.559 -9.850 6.955 745 H HIS 98 H HIS 98 -4.386 -5.377 0.442 746 HA HIS 98 HA HIS 98 -6.896 -5.857 1.619 747 HB2 HIS 98 1HB HIS 98 -5.995 -4.235 -0.747 748 HB3 HIS 98 2HB HIS 98 -7.704 -4.372 -0.344 749 HD1 HIS 98 1HD HIS 98 -7.923 -1.899 0.293 750 HD2 HIS 98 2HD HIS 98 -5.070 -3.949 2.511 751 HE1 HIS 98 1HE HIS 98 -7.321 -0.367 2.194 752 HE2 HIS 98 2HE HIS 98 -5.531 -1.593 3.474 753 H GLY 99 H GLY 99 -5.572 -6.744 -1.550 754 HA2 GLY 99 1HA GLY 99 -6.210 -8.967 -2.392 755 HA3 GLY 99 2HA GLY 99 -7.843 -8.612 -1.849 756 H LEU 100 H LEU 100 -5.783 -6.284 -3.472 757 HA LEU 100 HA LEU 100 -7.737 -6.168 -5.649 758 HB2 LEU 100 1HB LEU 100 -5.485 -4.238 -5.196 759 HB3 LEU 100 2HB LEU 100 -6.985 -3.986 -6.087 760 HG LEU 100 HG LEU 100 -6.438 -3.782 -3.178 761 HD11 LEU 100 1HD1 LEU 100 -8.250 -2.010 -3.514 762 HD12 LEU 100 2HD1 LEU 100 -8.043 -2.307 -5.239 763 HD13 LEU 100 3HD1 LEU 100 -6.683 -1.733 -4.275 764 HD21 LEU 100 1HD2 LEU 100 -8.054 -5.321 -2.767 765 HD22 LEU 100 2HD2 LEU 100 -8.816 -5.108 -4.344 766 HD23 LEU 100 3HD2 LEU 100 -9.097 -3.929 -3.062 767 H ILE 101 H ILE 101 -4.655 -7.370 -4.966 768 HA ILE 101 HA ILE 101 -4.211 -7.896 -7.811 769 HB ILE 101 HB ILE 101 -1.805 -7.421 -7.604 770 HG12 ILE 101 1HG1 ILE 101 -2.378 -5.968 -5.037 771 HG13 ILE 101 2HG1 ILE 101 -1.936 -7.672 -5.019 772 HG21 ILE 101 1HG2 ILE 101 -2.085 -5.281 -8.241 773 HG22 ILE 101 2HG2 ILE 101 -3.799 -5.664 -8.085 774 HG23 ILE 101 3HG2 ILE 101 -2.955 -4.847 -6.770 775 HD11 ILE 101 1HD1 ILE 101 0.029 -6.388 -4.646 776 HD12 ILE 101 2HD1 ILE 101 0.130 -7.067 -6.271 777 HD13 ILE 101 3HD1 ILE 101 -0.301 -5.372 -6.049 778 H ASN 102 H ASN 102 -3.226 -9.841 -8.256 779 HA ASN 102 HA ASN 102 -2.529 -11.982 -7.934 780 HB2 ASN 102 1HB ASN 102 -1.634 -10.998 -5.215 781 HB3 ASN 102 2HB ASN 102 -1.115 -12.484 -6.006 782 HD21 ASN 102 1HD2 ASN 102 1.018 -11.538 -5.615 783 HD22 ASN 102 2HD2 ASN 102 1.661 -10.441 -6.785 784 H PHE 103 H PHE 103 -5.128 -11.789 -7.709 785 HA PHE 103 HA PHE 103 -5.824 -13.336 -5.299 786 HB2 PHE 103 1HB PHE 103 -8.169 -12.424 -5.672 787 HB3 PHE 103 2HB PHE 103 -6.968 -11.267 -5.104 788 HD1 PHE 103 1HD PHE 103 -8.175 -12.591 -8.383 789 HD2 PHE 103 2HD PHE 103 -7.066 -9.197 -6.066 790 HE1 PHE 103 1HE PHE 103 -8.696 -11.124 -10.288 791 HE2 PHE 103 2HE PHE 103 -7.587 -7.724 -7.967 792 HZ PHE 103 HZ PHE 103 -8.403 -8.687 -10.082 793 H GLY 104 H GLY 104 -4.984 -14.007 -8.186 794 HA2 GLY 104 1HA GLY 104 -6.640 -16.309 -8.444 795 HA3 GLY 104 2HA GLY 104 -7.071 -15.096 -9.640 796 H ILE 105 H ILE 105 -3.980 -16.267 -8.301 797 HA ILE 105 HA ILE 105 -3.155 -16.940 -11.044 798 HB ILE 105 HB ILE 105 -0.885 -16.132 -10.554 799 HG12 ILE 105 1HG1 ILE 105 -1.038 -16.356 -8.078 800 HG13 ILE 105 2HG1 ILE 105 -0.419 -14.791 -8.593 801 HG21 ILE 105 1HG2 ILE 105 -1.506 -13.647 -10.448 802 HG22 ILE 105 2HG2 ILE 105 -2.158 -14.605 -11.776 803 HG23 ILE 105 3HG2 ILE 105 -3.177 -14.207 -10.393 804 HD11 ILE 105 1HD1 ILE 105 -2.776 -15.441 -7.044 805 HD12 ILE 105 2HD1 ILE 105 -1.917 -13.910 -7.216 806 HD13 ILE 105 3HD1 ILE 105 -3.135 -14.377 -8.403 807 H TYR 106 H TYR 106 -2.669 -17.438 -7.583 808 HA TYR 106 HA TYR 106 -1.352 -20.001 -8.174 809 HB2 TYR 106 1HB TYR 106 -0.862 -19.788 -5.588 810 HB3 TYR 106 2HB TYR 106 0.126 -18.934 -6.768 811 HD1 TYR 106 1HD TYR 106 -3.028 -18.382 -4.831 812 HD2 TYR 106 2HD TYR 106 0.594 -16.723 -6.326 813 HE1 TYR 106 1HE TYR 106 -3.550 -16.252 -3.717 814 HE2 TYR 106 2HE TYR 106 0.082 -14.589 -5.216 815 HH TYR 106 HH TYR 106 -2.370 -14.270 -2.887 816 H LYS 107 H LYS 107 -1.743 -21.471 -6.012 817 HA LYS 107 HA LYS 107 -4.523 -22.191 -6.199 818 HB2 LYS 107 1HB LYS 107 -2.109 -23.360 -4.862 819 HB3 LYS 107 2HB LYS 107 -3.712 -23.926 -4.411 820 HG2 LYS 107 1HG LYS 107 -2.918 -25.411 -6.057 821 HG3 LYS 107 2HG LYS 107 -4.113 -24.386 -6.855 822 HD2 LYS 107 1HD LYS 107 -2.247 -22.966 -7.689 823 HD3 LYS 107 2HD LYS 107 -1.110 -24.128 -7.001 824 HE2 LYS 107 1HE LYS 107 -3.243 -24.967 -8.939 825 HE3 LYS 107 2HE LYS 107 -1.692 -24.337 -9.491 826 HZ1 LYS 107 1HZ LYS 107 -1.365 -26.351 -7.501 827 HZ2 LYS 107 2HZ LYS 107 -0.713 -26.267 -9.060 828 HZ3 LYS 107 3HZ LYS 107 -2.250 -26.933 -8.821 829 H ARG 108 H ARG 108 -4.343 -19.666 -5.117 830 HA ARG 108 HA ARG 108 -5.567 -20.110 -2.516 831 HB2 ARG 108 1HB ARG 108 -2.962 -18.789 -2.918 832 HB3 ARG 108 2HB ARG 108 -4.100 -17.897 -1.916 833 HG2 ARG 108 1HG ARG 108 -3.744 -20.774 -1.321 834 HG3 ARG 108 2HG ARG 108 -2.409 -19.689 -0.925 835 HD2 ARG 108 1HD ARG 108 -5.137 -18.847 -0.125 836 HD3 ARG 108 2HD ARG 108 -4.411 -20.186 0.763 837 HE ARG 108 HE ARG 108 -3.770 -17.455 1.038 838 HH11 ARG 108 2HH1 ARG 108 -2.271 -20.594 0.910 839 HH12 ARG 108 1HH1 ARG 108 -0.916 -20.131 1.884 840 HH21 ARG 108 2HH2 ARG 108 -1.990 -16.833 2.322 841 HH22 ARG 108 1HH2 ARG 108 -0.757 -17.992 2.688 842 H ILE 109 H ILE 109 -7.505 -19.232 -2.830 843 HA ILE 109 HA ILE 109 -7.652 -16.453 -3.721 844 HB ILE 109 HB ILE 109 -9.523 -18.517 -4.868 845 HG12 ILE 109 1HG1 ILE 109 -7.214 -17.232 -6.326 846 HG13 ILE 109 2HG1 ILE 109 -7.097 -18.820 -5.574 847 HG21 ILE 109 1HG2 ILE 109 -9.416 -16.337 -6.543 848 HG22 ILE 109 2HG2 ILE 109 -10.670 -16.666 -5.349 849 HG23 ILE 109 3HG2 ILE 109 -9.314 -15.617 -4.937 850 HD11 ILE 109 1HD1 ILE 109 -7.707 -19.546 -7.599 851 HD12 ILE 109 2HD1 ILE 109 -9.333 -19.122 -7.062 852 HD13 ILE 109 3HD1 ILE 109 -8.411 -17.996 -8.058 853 H LYS 110 H LYS 110 -8.543 -15.496 -2.013 854 HA LYS 110 HA LYS 110 -10.546 -16.882 -0.418 855 HB2 LYS 110 1HB LYS 110 -8.631 -15.538 0.574 856 HB3 LYS 110 2HB LYS 110 -9.469 -14.097 0.016 857 HG2 LYS 110 1HG LYS 110 -10.059 -14.345 2.273 858 HG3 LYS 110 2HG LYS 110 -11.461 -14.899 1.354 859 HD2 LYS 110 1HD LYS 110 -10.509 -17.242 1.605 860 HD3 LYS 110 2HD LYS 110 -9.402 -16.555 2.795 861 HE2 LYS 110 1HE LYS 110 -11.507 -15.630 3.929 862 HE3 LYS 110 2HE LYS 110 -12.395 -16.761 2.909 863 HZ1 LYS 110 1HZ LYS 110 -11.662 -17.487 5.254 864 HZ2 LYS 110 2HZ LYS 110 -10.141 -17.710 4.549 865 HZ3 LYS 110 3HZ LYS 110 -11.475 -18.572 3.969 866 HA PRO 111 HA PRO 111 -13.950 -14.965 -2.475 867 HB2 PRO 111 1HB PRO 111 -15.841 -15.435 -0.584 868 HB3 PRO 111 2HB PRO 111 -15.215 -16.697 -1.652 869 HG2 PRO 111 1HG PRO 111 -14.470 -16.069 1.179 870 HG3 PRO 111 2HG PRO 111 -14.745 -17.647 0.418 871 HD2 PRO 111 1HD PRO 111 -12.264 -16.655 0.856 872 HD3 PRO 111 2HD PRO 111 -12.645 -17.699 -0.528 873 H LEU 112 H LEU 112 -15.039 -13.031 -2.472 874 HA LEU 112 HA LEU 112 -15.026 -11.395 -0.054 875 HB2 LEU 112 1HB LEU 112 -13.638 -10.732 -2.620 876 HB3 LEU 112 2HB LEU 112 -14.291 -9.447 -1.606 877 HG LEU 112 HG LEU 112 -12.298 -11.480 -0.620 878 HD11 LEU 112 1HD1 LEU 112 -11.859 -9.399 -2.479 879 HD12 LEU 112 2HD1 LEU 112 -10.666 -10.411 -1.666 880 HD13 LEU 112 3HD1 LEU 112 -11.170 -8.885 -0.938 881 HD21 LEU 112 1HD2 LEU 112 -12.153 -10.222 1.296 882 HD22 LEU 112 2HD2 LEU 112 -13.862 -10.031 0.903 883 HD23 LEU 112 3HD2 LEU 112 -12.716 -8.750 0.505 884 HA PRO 113 HA PRO 113 -18.987 -10.093 -1.424 885 HB2 PRO 113 1HB PRO 113 -19.084 -7.547 -0.487 886 HB3 PRO 113 2HB PRO 113 -19.183 -8.963 0.567 887 HG2 PRO 113 1HG PRO 113 -16.829 -7.216 -0.043 888 HG3 PRO 113 2HG PRO 113 -17.357 -7.879 1.515 889 HD2 PRO 113 1HD PRO 113 -15.341 -8.972 0.075 890 HD3 PRO 113 2HD PRO 113 -16.420 -9.943 1.098 891 H THR 114 H THR 114 -16.202 -8.924 -2.788 892 HA THR 114 HA THR 114 -17.155 -6.716 -4.291 893 HB THR 114 HB THR 114 -14.890 -8.552 -5.079 894 HG1 THR 114 1HG THR 114 -14.231 -7.927 -3.119 895 HG21 THR 114 1HG2 THR 114 -14.097 -6.806 -6.389 896 HG22 THR 114 2HG2 THR 114 -15.024 -5.591 -5.509 897 HG23 THR 114 3HG2 THR 114 -15.840 -6.689 -6.621 898 H LYS 115 H LYS 115 -18.092 -6.592 -6.268 899 HA LYS 115 HA LYS 115 -18.283 -8.903 -7.991 900 HB2 LYS 115 1HB LYS 115 -20.130 -9.334 -6.462 901 HB3 LYS 115 2HB LYS 115 -20.756 -7.711 -6.724 902 HG2 LYS 115 1HG LYS 115 -21.337 -8.212 -8.976 903 HG3 LYS 115 2HG LYS 115 -20.484 -9.757 -8.912 904 HD2 LYS 115 1HD LYS 115 -22.673 -9.239 -6.955 905 HD3 LYS 115 2HD LYS 115 -23.099 -9.632 -8.623 906 HE2 LYS 115 1HE LYS 115 -21.475 -11.610 -8.342 907 HE3 LYS 115 2HE LYS 115 -21.611 -11.290 -6.614 908 HZ1 LYS 115 1HZ LYS 115 -23.970 -11.637 -6.735 909 HZ2 LYS 115 2HZ LYS 115 -23.188 -12.978 -7.405 910 HZ3 LYS 115 3HZ LYS 115 -23.909 -11.829 -8.415 911 H LYS 116 H LYS 116 -18.555 -8.346 -10.097 912 HA LYS 116 HA LYS 116 -19.663 -5.807 -10.873 913 HB2 LYS 116 1HB LYS 116 -17.677 -4.910 -11.929 914 HB3 LYS 116 2HB LYS 116 -17.360 -5.176 -10.220 915 HG2 LYS 116 1HG LYS 116 -16.640 -7.326 -12.142 916 HG3 LYS 116 2HG LYS 116 -15.628 -5.882 -12.066 917 HD2 LYS 116 1HD LYS 116 -16.399 -7.307 -9.551 918 HD3 LYS 116 2HD LYS 116 -15.081 -7.927 -10.549 919 HE2 LYS 116 1HE LYS 116 -15.194 -5.061 -9.655 920 HE3 LYS 116 2HE LYS 116 -14.476 -6.322 -8.655 921 HZ1 LYS 116 1HZ LYS 116 -12.844 -5.146 -10.041 922 HZ2 LYS 116 2HZ LYS 116 -13.636 -5.693 -11.432 923 HZ3 LYS 116 3HZ LYS 116 -12.903 -6.802 -10.385 924 H THR 117 H THR 117 -20.226 -5.733 -13.035 925 HA THR 117 HA THR 117 -20.078 -8.300 -14.426 926 HB THR 117 HB THR 117 -21.725 -5.859 -15.118 927 HG1 THR 117 1HG THR 117 -22.280 -8.180 -13.581 928 HG21 THR 117 1HG2 THR 117 -23.055 -7.699 -16.351 929 HG22 THR 117 2HG2 THR 117 -21.572 -8.645 -16.223 930 HG23 THR 117 3HG2 THR 117 -21.565 -7.106 -17.085 931 H GLY 118 H GLY 118 -19.322 -8.525 -16.536 932 HA2 GLY 118 1HA GLY 118 -18.393 -6.358 -18.117 933 HA3 GLY 118 2HA GLY 118 -17.052 -7.097 -17.255 934 H SER 119 H SER 119 -15.955 -8.268 -18.688 935 HA SER 119 HA SER 119 -17.216 -10.531 -19.931 936 HB2 SER 119 1HB SER 119 -16.621 -9.934 -22.245 937 HB3 SER 119 2HB SER 119 -17.775 -8.786 -21.567 938 HG SER 119 HG SER 119 -16.214 -7.568 -22.515 939 H GLY 120 H GLY 120 -15.774 -12.143 -20.378 940 HA2 GLY 120 1HA GLY 120 -13.377 -12.530 -21.139 941 HA3 GLY 120 2HA GLY 120 -12.955 -11.533 -19.755 942 HA PRO 121 HA PRO 121 -14.766 -15.708 -18.060 943 HB2 PRO 121 1HB PRO 121 -14.889 -17.739 -19.858 944 HB3 PRO 121 2HB PRO 121 -16.236 -16.632 -19.565 945 HG2 PRO 121 1HG PRO 121 -14.207 -16.604 -21.765 946 HG3 PRO 121 2HG PRO 121 -15.957 -16.332 -21.854 947 HD2 PRO 121 1HD PRO 121 -14.166 -14.302 -21.863 948 HD3 PRO 121 2HD PRO 121 -15.781 -14.147 -21.143 949 H SER 122 H SER 122 -13.682 -17.756 -17.497 950 HA SER 122 HA SER 122 -10.826 -17.640 -18.192 951 HB2 SER 122 1HB SER 122 -11.502 -17.318 -15.779 952 HB3 SER 122 2HB SER 122 -12.059 -18.991 -15.784 953 HG SER 122 HG SER 122 -10.072 -19.570 -15.495 954 H SER 123 H SER 123 -13.373 -19.999 -17.389 955 HA SER 123 HA SER 123 -12.141 -22.348 -17.980 956 HB2 SER 123 1HB SER 123 -14.451 -22.231 -17.180 957 HB3 SER 123 2HB SER 123 -14.973 -21.582 -18.734 958 HG SER 123 HG SER 123 -15.219 -23.589 -19.281 959 H GLY 124 H GLY 124 -10.805 -22.711 -19.638 960 HA2 GLY 124 1HA GLY 124 -10.999 -23.509 -22.013 961 HA3 GLY 124 2HA GLY 124 -11.724 -21.941 -22.339 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.125 -22.371 -19.708 2 HA2 GLY 1 1HA GLY 1 -10.499 -22.277 -16.825 3 HA3 GLY 1 2HA GLY 1 -10.518 -20.811 -17.796 4 H SER 2 H SER 2 -12.125 -21.473 -15.459 5 HA SER 2 HA SER 2 -14.814 -21.653 -16.627 6 HB2 SER 2 1HB SER 2 -15.568 -22.073 -14.297 7 HB3 SER 2 2HB SER 2 -14.385 -23.259 -14.848 8 HG SER 2 HG SER 2 -14.253 -21.679 -12.722 9 H SER 3 H SER 3 -13.023 -19.802 -14.163 10 HA SER 3 HA SER 3 -14.833 -17.536 -14.689 11 HB2 SER 3 1HB SER 3 -13.321 -18.146 -12.138 12 HB3 SER 3 2HB SER 3 -14.419 -16.791 -12.395 13 HG SER 3 HG SER 3 -14.982 -19.346 -11.718 14 H GLY 4 H GLY 4 -13.970 -15.633 -15.297 15 HA2 GLY 4 1HA GLY 4 -11.261 -14.896 -14.738 16 HA3 GLY 4 2HA GLY 4 -11.468 -15.410 -16.406 17 H SER 5 H SER 5 -11.785 -12.858 -14.193 18 HA SER 5 HA SER 5 -13.783 -11.266 -15.218 19 HB2 SER 5 1HB SER 5 -11.084 -10.344 -14.201 20 HB3 SER 5 2HB SER 5 -12.533 -9.346 -14.329 21 HG SER 5 HG SER 5 -12.466 -11.731 -12.810 22 H SER 6 H SER 6 -14.125 -10.231 -17.072 23 HA SER 6 HA SER 6 -12.053 -9.107 -18.664 24 HB2 SER 6 1HB SER 6 -12.171 -10.525 -20.604 25 HB3 SER 6 2HB SER 6 -11.824 -11.553 -19.213 26 HG SER 6 HG SER 6 -14.115 -11.993 -19.150 27 H GLY 7 H GLY 7 -13.037 -7.271 -19.190 28 HA2 GLY 7 1HA GLY 7 -14.972 -6.898 -21.036 29 HA3 GLY 7 2HA GLY 7 -15.904 -7.160 -19.569 30 H GLU 8 H GLU 8 -12.801 -5.490 -19.897 31 HA GLU 8 HA GLU 8 -14.124 -2.929 -19.400 32 HB2 GLU 8 1HB GLU 8 -11.853 -3.993 -17.711 33 HB3 GLU 8 2HB GLU 8 -12.542 -2.380 -17.598 34 HG2 GLU 8 1HG GLU 8 -13.642 -3.399 -15.892 35 HG3 GLU 8 2HG GLU 8 -14.771 -3.715 -17.208 36 H GLU 9 H GLU 9 -12.815 -1.084 -19.893 37 HA GLU 9 HA GLU 9 -10.517 -1.714 -21.629 38 HB2 GLU 9 1HB GLU 9 -12.554 0.495 -21.970 39 HB3 GLU 9 2HB GLU 9 -11.142 0.251 -22.988 40 HG2 GLU 9 1HG GLU 9 -13.187 -1.905 -22.649 41 HG3 GLU 9 2HG GLU 9 -13.418 -0.599 -23.810 42 HA PRO 10 HA PRO 10 -8.846 0.916 -18.277 43 HB2 PRO 10 1HB PRO 10 -6.363 -0.176 -18.383 44 HB3 PRO 10 2HB PRO 10 -7.692 -0.900 -17.470 45 HG2 PRO 10 1HG PRO 10 -6.652 -1.611 -20.185 46 HG3 PRO 10 2HG PRO 10 -7.136 -2.681 -18.857 47 HD2 PRO 10 1HD PRO 10 -8.744 -2.169 -20.974 48 HD3 PRO 10 2HD PRO 10 -9.380 -2.482 -19.346 49 H SER 11 H SER 11 -8.829 2.860 -19.373 50 HA SER 11 HA SER 11 -6.937 3.261 -21.550 51 HB2 SER 11 1HB SER 11 -9.224 4.820 -20.414 52 HB3 SER 11 2HB SER 11 -7.989 5.674 -21.339 53 HG SER 11 HG SER 11 -9.723 4.925 -22.651 54 H GLY 12 H GLY 12 -4.890 3.617 -20.980 55 HA2 GLY 12 1HA GLY 12 -3.054 4.550 -19.968 56 HA3 GLY 12 2HA GLY 12 -4.092 5.917 -19.589 57 H VAL 13 H VAL 13 -2.269 5.503 -17.772 58 HA VAL 13 HA VAL 13 -2.540 3.599 -15.811 59 HB VAL 13 HB VAL 13 -1.904 6.526 -15.410 60 HG11 VAL 13 1HG1 VAL 13 -2.431 5.641 -13.281 61 HG12 VAL 13 2HG1 VAL 13 -1.568 4.137 -13.611 62 HG13 VAL 13 3HG1 VAL 13 -0.671 5.640 -13.389 63 HG21 VAL 13 1HG2 VAL 13 0.444 5.160 -15.220 64 HG22 VAL 13 2HG2 VAL 13 -0.397 4.244 -16.471 65 HG23 VAL 13 3HG2 VAL 13 -0.130 5.976 -16.674 66 H GLU 14 H GLU 14 -4.073 6.824 -15.736 67 HA GLU 14 HA GLU 14 -5.598 6.592 -13.492 68 HB2 GLU 14 1HB GLU 14 -6.503 7.835 -16.096 69 HB3 GLU 14 2HB GLU 14 -7.172 8.175 -14.506 70 HG2 GLU 14 1HG GLU 14 -5.319 9.369 -13.831 71 HG3 GLU 14 2HG GLU 14 -4.264 8.599 -15.015 72 H GLY 15 H GLY 15 -6.426 5.389 -16.727 73 HA2 GLY 15 1HA GLY 15 -8.968 4.557 -16.535 74 HA3 GLY 15 2HA GLY 15 -7.731 3.545 -17.267 75 H ALA 16 H ALA 16 -6.266 2.592 -15.285 76 HA ALA 16 HA ALA 16 -7.599 0.471 -14.239 77 HB1 ALA 16 1HB ALA 16 -5.782 0.101 -12.806 78 HB2 ALA 16 2HB ALA 16 -5.102 0.985 -14.172 79 HB3 ALA 16 3HB ALA 16 -5.435 1.824 -12.657 80 H ALA 17 H ALA 17 -7.033 3.545 -12.525 81 HA ALA 17 HA ALA 17 -8.140 3.154 -10.115 82 HB1 ALA 17 1HB ALA 17 -8.952 5.485 -10.162 83 HB2 ALA 17 2HB ALA 17 -7.313 5.319 -10.793 84 HB3 ALA 17 3HB ALA 17 -8.669 5.525 -11.902 85 H PHE 18 H PHE 18 -9.930 3.409 -13.135 86 HA PHE 18 HA PHE 18 -12.503 3.744 -12.366 87 HB2 PHE 18 1HB PHE 18 -12.125 3.463 -14.672 88 HB3 PHE 18 2HB PHE 18 -11.327 1.911 -14.441 89 HD1 PHE 18 2HD PHE 18 -14.578 3.637 -14.462 90 HD2 PHE 18 1HD PHE 18 -12.563 -0.110 -14.347 91 HE1 PHE 18 2HE PHE 18 -16.705 2.485 -14.909 92 HE2 PHE 18 1HE PHE 18 -14.687 -1.269 -14.795 93 HZ PHE 18 HZ PHE 18 -16.762 0.028 -15.075 94 H GLN 19 H GLN 19 -10.801 0.616 -12.373 95 HA GLN 19 HA GLN 19 -12.980 -0.739 -11.091 96 HB2 GLN 19 1HB GLN 19 -11.682 -2.687 -11.247 97 HB3 GLN 19 2HB GLN 19 -11.241 -1.756 -12.672 98 HG2 GLN 19 1HG GLN 19 -9.175 -2.377 -11.972 99 HG3 GLN 19 2HG GLN 19 -9.341 -0.865 -11.081 100 HE21 GLN 19 1HE2 GLN 19 -8.163 -1.277 -9.311 101 HE22 GLN 19 2HE2 GLN 19 -8.472 -2.561 -8.197 102 H SER 20 H SER 20 -9.990 0.769 -10.075 103 HA SER 20 HA SER 20 -9.859 -0.319 -7.477 104 HB2 SER 20 1HB SER 20 -8.844 2.385 -8.383 105 HB3 SER 20 2HB SER 20 -8.285 1.461 -6.989 106 HG SER 20 HG SER 20 -7.369 1.349 -9.447 107 H ARG 21 H ARG 21 -11.827 2.144 -8.870 108 HA ARG 21 HA ARG 21 -13.443 3.513 -8.038 109 HB2 ARG 21 1HB ARG 21 -13.418 1.436 -5.842 110 HB3 ARG 21 2HB ARG 21 -14.645 2.685 -6.009 111 HG2 ARG 21 1HG ARG 21 -14.041 0.621 -8.115 112 HG3 ARG 21 2HG ARG 21 -15.311 0.465 -6.900 113 HD2 ARG 21 1HD ARG 21 -15.112 2.759 -8.843 114 HD3 ARG 21 2HD ARG 21 -16.081 1.314 -9.126 115 HE ARG 21 HE ARG 21 -16.666 3.477 -7.297 116 HH11 ARG 21 2HH1 ARG 21 -17.348 0.200 -8.251 117 HH12 ARG 21 1HH1 ARG 21 -18.912 0.170 -7.505 118 HH21 ARG 21 2HH2 ARG 21 -18.722 3.451 -6.311 119 HH22 ARG 21 1HH2 ARG 21 -19.693 2.021 -6.403 120 H LEU 22 H LEU 22 -10.978 4.527 -7.629 121 HA LEU 22 HA LEU 22 -11.362 6.064 -5.199 122 HB2 LEU 22 1HB LEU 22 -9.084 5.714 -4.402 123 HB3 LEU 22 2HB LEU 22 -10.007 4.213 -4.417 124 HG LEU 22 HG LEU 22 -8.849 3.673 -6.601 125 HD11 LEU 22 1HD1 LEU 22 -7.673 5.297 -7.554 126 HD12 LEU 22 2HD1 LEU 22 -6.488 5.104 -6.263 127 HD13 LEU 22 3HD1 LEU 22 -7.771 6.304 -6.109 128 HD21 LEU 22 1HD2 LEU 22 -8.058 2.404 -4.866 129 HD22 LEU 22 2HD2 LEU 22 -7.553 3.806 -3.923 130 HD23 LEU 22 3HD2 LEU 22 -6.594 3.283 -5.308 131 HA PRO 23 HA PRO 23 -9.827 9.330 -7.702 132 HB2 PRO 23 1HB PRO 23 -8.779 10.972 -5.811 133 HB3 PRO 23 2HB PRO 23 -10.519 10.759 -6.041 134 HG2 PRO 23 1HG PRO 23 -8.707 9.497 -4.020 135 HG3 PRO 23 2HG PRO 23 -10.331 10.172 -3.799 136 HD2 PRO 23 1HD PRO 23 -9.878 7.513 -4.028 137 HD3 PRO 23 2HD PRO 23 -11.365 8.282 -4.618 138 H HIS 24 H HIS 24 -8.024 9.792 -8.837 139 HA HIS 24 HA HIS 24 -5.524 8.553 -7.968 140 HB2 HIS 24 1HB HIS 24 -5.827 7.910 -10.152 141 HB3 HIS 24 2HB HIS 24 -6.662 9.399 -10.588 142 HD1 HIS 24 1HD HIS 24 -3.113 8.531 -9.487 143 HD2 HIS 24 2HD HIS 24 -5.146 10.859 -12.264 144 HE1 HIS 24 1HE HIS 24 -1.329 9.678 -10.838 145 HE2 HIS 24 2HE HIS 24 -2.582 11.146 -12.456 146 H ASP 25 H ASP 25 -7.000 11.514 -7.777 147 HA ASP 25 HA ASP 25 -4.535 13.061 -8.064 148 HB2 ASP 25 1HB ASP 25 -5.912 15.025 -7.948 149 HB3 ASP 25 2HB ASP 25 -6.688 13.891 -9.050 150 H ARG 26 H ARG 26 -6.584 11.687 -5.660 151 HA ARG 26 HA ARG 26 -4.835 12.767 -3.578 152 HB2 ARG 26 1HB ARG 26 -6.658 13.378 -2.143 153 HB3 ARG 26 2HB ARG 26 -6.897 14.175 -3.693 154 HG2 ARG 26 1HG ARG 26 -8.399 12.153 -4.246 155 HG3 ARG 26 2HG ARG 26 -8.398 11.880 -2.503 156 HD2 ARG 26 1HD ARG 26 -9.229 14.430 -3.884 157 HD3 ARG 26 2HD ARG 26 -10.326 13.216 -3.226 158 HE ARG 26 HE ARG 26 -8.432 14.318 -1.338 159 HH11 ARG 26 2HH1 ARG 26 -11.611 14.538 -2.741 160 HH12 ARG 26 1HH1 ARG 26 -12.281 15.418 -1.408 161 HH21 ARG 26 2HH2 ARG 26 -9.303 15.477 0.423 162 HH22 ARG 26 1HH2 ARG 26 -10.967 15.953 0.391 163 H MET 27 H MET 27 -5.472 11.644 -1.393 164 HA MET 27 HA MET 27 -5.562 8.774 -1.972 165 HB2 MET 27 1HB MET 27 -4.739 10.197 0.565 166 HB3 MET 27 2HB MET 27 -4.591 8.473 0.250 167 HG2 MET 27 1HG MET 27 -2.830 8.748 -1.198 168 HG3 MET 27 2HG MET 27 -3.268 10.410 -1.584 169 HE1 MET 27 1HE MET 27 -2.700 8.247 1.459 170 HE2 MET 27 2HE MET 27 -1.001 8.191 0.989 171 HE3 MET 27 3HE MET 27 -1.490 9.090 2.426 172 H THR 28 H THR 28 -6.728 7.364 -0.456 173 HA THR 28 HA THR 28 -9.323 8.537 0.210 174 HB THR 28 HB THR 28 -10.013 6.118 0.515 175 HG1 THR 28 1HG THR 28 -8.585 4.566 -0.360 176 HG21 THR 28 1HG2 THR 28 -10.788 6.379 -1.556 177 HG22 THR 28 2HG2 THR 28 -9.208 5.947 -2.210 178 HG23 THR 28 3HG2 THR 28 -9.582 7.632 -1.848 179 H SER 29 H SER 29 -10.346 8.142 2.225 180 HA SER 29 HA SER 29 -9.073 8.748 4.493 181 HB2 SER 29 1HB SER 29 -11.588 8.136 4.063 182 HB3 SER 29 2HB SER 29 -11.113 6.558 4.691 183 HG SER 29 HG SER 29 -10.480 7.541 6.601 184 H GLN 30 H GLN 30 -9.138 5.550 3.039 185 HA GLN 30 HA GLN 30 -7.827 4.251 5.226 186 HB2 GLN 30 1HB GLN 30 -8.664 3.498 2.472 187 HB3 GLN 30 2HB GLN 30 -7.400 2.535 3.225 188 HG2 GLN 30 1HG GLN 30 -9.269 1.373 3.840 189 HG3 GLN 30 2HG GLN 30 -9.062 2.437 5.230 190 HE21 GLN 30 1HE2 GLN 30 -10.491 2.774 1.996 191 HE22 GLN 30 2HE2 GLN 30 -12.006 3.397 2.544 192 H GLU 31 H GLU 31 -6.755 5.077 1.923 193 HA GLU 31 HA GLU 31 -4.101 4.363 2.162 194 HB2 GLU 31 1HB GLU 31 -5.323 6.640 0.596 195 HB3 GLU 31 2HB GLU 31 -3.666 6.087 0.395 196 HG2 GLU 31 1HG GLU 31 -6.033 4.275 0.045 197 HG3 GLU 31 2HG GLU 31 -5.355 5.231 -1.271 198 H ALA 32 H ALA 32 -5.644 7.427 3.039 199 HA ALA 32 HA ALA 32 -3.350 8.867 3.717 200 HB1 ALA 32 1HB ALA 32 -5.068 9.991 5.379 201 HB2 ALA 32 2HB ALA 32 -5.186 10.222 3.634 202 HB3 ALA 32 3HB ALA 32 -6.227 9.049 4.441 203 H ALA 33 H ALA 33 -5.275 6.588 5.598 204 HA ALA 33 HA ALA 33 -3.926 7.057 8.065 205 HB1 ALA 33 1HB ALA 33 -5.986 6.130 8.434 206 HB2 ALA 33 2HB ALA 33 -5.863 5.035 7.056 207 HB3 ALA 33 3HB ALA 33 -4.972 4.691 8.538 208 H CYS 34 H CYS 34 -3.598 4.644 5.493 209 HA CYS 34 HA CYS 34 -1.611 3.097 6.783 210 HB2 CYS 34 1HB CYS 34 -2.695 3.309 4.020 211 HB3 CYS 34 2HB CYS 34 -1.129 2.531 4.216 212 HG CYS 34 HG CYS 34 -4.031 1.550 5.745 213 H PHE 35 H PHE 35 -1.460 5.788 4.494 214 HA PHE 35 HA PHE 35 1.431 5.977 5.032 215 HB2 PHE 35 1HB PHE 35 0.068 6.946 2.519 216 HB3 PHE 35 2HB PHE 35 1.797 6.790 2.815 217 HD1 PHE 35 2HD PHE 35 -1.311 4.750 2.628 218 HD2 PHE 35 1HD PHE 35 2.909 4.902 2.092 219 HE1 PHE 35 2HE PHE 35 -1.356 2.488 1.662 220 HE2 PHE 35 1HE PHE 35 2.871 2.640 1.125 221 HZ PHE 35 HZ PHE 35 0.737 1.429 0.910 222 HA PRO 36 HA PRO 36 -0.431 9.795 6.754 223 HB2 PRO 36 1HB PRO 36 1.414 10.049 8.729 224 HB3 PRO 36 2HB PRO 36 -0.015 9.019 8.876 225 HG2 PRO 36 1HG PRO 36 2.801 8.267 8.189 226 HG3 PRO 36 2HG PRO 36 1.657 7.452 9.273 227 HD2 PRO 36 1HD PRO 36 2.133 6.598 6.748 228 HD3 PRO 36 2HD PRO 36 0.551 6.419 7.534 229 H ASP 37 H ASP 37 3.011 9.071 6.238 230 HA ASP 37 HA ASP 37 3.907 11.728 6.086 231 HB2 ASP 37 1HB ASP 37 5.924 10.841 5.127 232 HB3 ASP 37 2HB ASP 37 5.361 9.701 6.346 233 H ILE 38 H ILE 38 2.544 9.569 3.671 234 HA ILE 38 HA ILE 38 3.135 11.208 1.423 235 HB ILE 38 HB ILE 38 1.011 9.084 1.747 236 HG12 ILE 38 1HG1 ILE 38 3.206 8.145 2.084 237 HG13 ILE 38 2HG1 ILE 38 2.651 7.684 0.478 238 HG21 ILE 38 1HG2 ILE 38 0.434 9.326 -0.412 239 HG22 ILE 38 2HG2 ILE 38 1.084 10.952 -0.210 240 HG23 ILE 38 3HG2 ILE 38 2.084 9.685 -0.920 241 HD11 ILE 38 1HD1 ILE 38 4.811 9.570 1.269 242 HD12 ILE 38 2HD1 ILE 38 4.819 8.285 0.061 243 HD13 ILE 38 3HD1 ILE 38 3.978 9.799 -0.269 244 H ILE 39 H ILE 39 0.109 10.639 3.222 245 HA ILE 39 HA ILE 39 -1.400 12.580 1.843 246 HB ILE 39 HB ILE 39 -2.429 10.782 3.173 247 HG12 ILE 39 1HG1 ILE 39 -4.105 12.282 4.399 248 HG13 ILE 39 2HG1 ILE 39 -3.114 13.636 3.865 249 HG21 ILE 39 1HG2 ILE 39 -0.857 12.028 5.296 250 HG22 ILE 39 2HG2 ILE 39 -2.525 11.686 5.754 251 HG23 ILE 39 3HG2 ILE 39 -1.489 10.386 5.165 252 HD11 ILE 39 1HD1 ILE 39 -3.548 12.156 1.566 253 HD12 ILE 39 2HD1 ILE 39 -5.089 12.111 2.423 254 HD13 ILE 39 3HD1 ILE 39 -4.345 13.660 2.026 255 H SER 40 H SER 40 0.858 12.801 4.462 256 HA SER 40 HA SER 40 0.081 15.586 4.973 257 HB2 SER 40 1HB SER 40 1.815 13.675 6.552 258 HB3 SER 40 2HB SER 40 1.596 15.375 6.968 259 HG SER 40 HG SER 40 -0.718 14.863 7.002 260 H GLY 41 H GLY 41 1.466 14.825 2.563 261 HA2 GLY 41 1HA GLY 41 3.997 16.286 3.003 262 HA3 GLY 41 2HA GLY 41 3.890 14.917 1.905 263 HA PRO 42 HA PRO 42 3.198 18.935 -0.408 264 HB2 PRO 42 1HB PRO 42 5.225 18.590 -2.182 265 HB3 PRO 42 2HB PRO 42 5.441 19.389 -0.620 266 HG2 PRO 42 1HG PRO 42 6.071 16.571 -1.409 267 HG3 PRO 42 2HG PRO 42 7.029 17.701 -0.435 268 HD2 PRO 42 1HD PRO 42 5.526 15.738 0.669 269 HD3 PRO 42 2HD PRO 42 5.798 17.298 1.472 270 H GLN 43 H GLN 43 2.111 19.085 -2.338 271 HA GLN 43 HA GLN 43 0.597 17.127 -3.346 272 HB2 GLN 43 1HB GLN 43 0.607 19.533 -4.074 273 HB3 GLN 43 2HB GLN 43 1.946 19.143 -5.145 274 HG2 GLN 43 1HG GLN 43 0.633 17.917 -6.571 275 HG3 GLN 43 2HG GLN 43 -0.566 17.557 -5.330 276 HE21 GLN 43 1HE2 GLN 43 -1.695 18.257 -7.515 277 HE22 GLN 43 2HE2 GLN 43 -2.220 19.903 -7.529 278 H GLN 44 H GLN 44 3.852 17.870 -4.583 279 HA GLN 44 HA GLN 44 4.060 15.986 -6.566 280 HB2 GLN 44 1HB GLN 44 5.809 17.602 -6.206 281 HB3 GLN 44 2HB GLN 44 6.170 16.928 -4.622 282 HG2 GLN 44 1HG GLN 44 7.859 16.200 -6.119 283 HG3 GLN 44 2HG GLN 44 6.836 14.811 -5.755 284 HE21 GLN 44 1HE2 GLN 44 8.573 15.856 -8.109 285 HE22 GLN 44 2HE2 GLN 44 7.586 15.519 -9.486 286 H THR 45 H THR 45 5.027 15.520 -3.165 287 HA THR 45 HA THR 45 5.771 12.872 -3.276 288 HB THR 45 HB THR 45 4.364 14.316 -1.023 289 HG1 THR 45 1HG THR 45 6.743 14.092 -0.304 290 HG21 THR 45 1HG2 THR 45 6.041 12.214 -0.099 291 HG22 THR 45 2HG2 THR 45 4.934 11.544 -1.297 292 HG23 THR 45 3HG2 THR 45 4.300 12.400 0.108 293 H GLN 46 H GLN 46 2.530 14.091 -2.406 294 HA GLN 46 HA GLN 46 1.206 11.707 -2.119 295 HB2 GLN 46 1HB GLN 46 0.222 14.313 -3.280 296 HB3 GLN 46 2HB GLN 46 -0.841 12.961 -2.914 297 HG2 GLN 46 1HG GLN 46 -0.140 13.072 -0.562 298 HG3 GLN 46 2HG GLN 46 0.867 14.467 -0.946 299 HE21 GLN 46 1HE2 GLN 46 -0.822 14.952 0.952 300 HE22 GLN 46 2HE2 GLN 46 -2.197 15.851 0.419 301 H LYS 47 H LYS 47 1.600 13.549 -5.140 302 HA LYS 47 HA LYS 47 0.244 11.814 -6.838 303 HB2 LYS 47 1HB LYS 47 2.645 13.553 -7.433 304 HB3 LYS 47 2HB LYS 47 1.621 12.806 -8.652 305 HG2 LYS 47 1HG LYS 47 -0.300 14.073 -7.475 306 HG3 LYS 47 2HG LYS 47 0.996 15.047 -6.776 307 HD2 LYS 47 1HD LYS 47 0.972 14.561 -9.719 308 HD3 LYS 47 2HD LYS 47 -0.145 15.746 -9.037 309 HE2 LYS 47 1HE LYS 47 1.704 16.960 -8.047 310 HE3 LYS 47 2HE LYS 47 2.843 15.739 -8.615 311 HZ1 LYS 47 1HZ LYS 47 1.215 16.852 -10.708 312 HZ2 LYS 47 2HZ LYS 47 2.891 16.635 -10.642 313 HZ3 LYS 47 3HZ LYS 47 2.188 18.004 -9.940 314 H VAL 48 H VAL 48 3.702 11.873 -6.009 315 HA VAL 48 HA VAL 48 4.637 9.840 -7.599 316 HB VAL 48 HB VAL 48 5.433 10.431 -4.745 317 HG11 VAL 48 1HG1 VAL 48 7.661 9.437 -5.841 318 HG12 VAL 48 2HG1 VAL 48 6.483 8.437 -4.989 319 HG13 VAL 48 3HG1 VAL 48 6.464 8.517 -6.751 320 HG21 VAL 48 1HG2 VAL 48 6.630 12.158 -5.508 321 HG22 VAL 48 2HG2 VAL 48 7.222 11.246 -6.897 322 HG23 VAL 48 3HG2 VAL 48 5.647 12.037 -6.968 323 H PHE 49 H PHE 49 2.998 9.564 -4.473 324 HA PHE 49 HA PHE 49 3.225 6.709 -4.377 325 HB2 PHE 49 1HB PHE 49 3.012 7.537 -2.243 326 HB3 PHE 49 2HB PHE 49 1.901 8.812 -2.734 327 HD1 PHE 49 1HD PHE 49 -0.486 8.223 -3.220 328 HD2 PHE 49 2HD PHE 49 2.225 5.495 -1.396 329 HE1 PHE 49 1HE PHE 49 -2.384 6.882 -2.411 330 HE2 PHE 49 2HE PHE 49 0.332 4.150 -0.586 331 HZ PHE 49 HZ PHE 49 -1.977 4.842 -1.094 332 H LEU 50 H LEU 50 0.684 9.008 -5.250 333 HA LEU 50 HA LEU 50 -1.375 7.128 -5.638 334 HB2 LEU 50 1HB LEU 50 -0.925 9.843 -6.862 335 HB3 LEU 50 2HB LEU 50 -2.408 8.910 -7.049 336 HG LEU 50 HG LEU 50 -1.317 9.931 -4.427 337 HD11 LEU 50 1HD1 LEU 50 -2.224 11.599 -6.189 338 HD12 LEU 50 2HD1 LEU 50 -2.809 11.693 -4.529 339 HD13 LEU 50 3HD1 LEU 50 -3.798 10.923 -5.769 340 HD21 LEU 50 1HD2 LEU 50 -2.849 8.685 -3.407 341 HD22 LEU 50 2HD2 LEU 50 -3.100 7.852 -4.941 342 HD23 LEU 50 3HD2 LEU 50 -4.115 9.229 -4.508 343 H PHE 51 H PHE 51 1.445 7.725 -7.413 344 HA PHE 51 HA PHE 51 0.340 6.699 -9.913 345 HB2 PHE 51 1HB PHE 51 1.845 8.598 -10.098 346 HB3 PHE 51 2HB PHE 51 3.099 7.726 -9.222 347 HD1 PHE 51 1HD PHE 51 3.769 5.410 -10.305 348 HD2 PHE 51 2HD PHE 51 1.953 8.647 -12.388 349 HE1 PHE 51 1HE PHE 51 4.643 4.528 -12.429 350 HE2 PHE 51 2HE PHE 51 2.822 7.770 -14.516 351 HZ PHE 51 HZ PHE 51 4.169 5.707 -14.538 352 H ILE 52 H ILE 52 2.458 5.775 -7.286 353 HA ILE 52 HA ILE 52 3.576 3.473 -8.491 354 HB ILE 52 HB ILE 52 3.178 4.172 -5.583 355 HG12 ILE 52 1HG1 ILE 52 5.805 4.069 -7.018 356 HG13 ILE 52 2HG1 ILE 52 4.764 5.473 -7.225 357 HG21 ILE 52 1HG2 ILE 52 3.640 2.046 -5.118 358 HG22 ILE 52 2HG2 ILE 52 3.974 1.681 -6.810 359 HG23 ILE 52 3HG2 ILE 52 5.250 2.331 -5.780 360 HD11 ILE 52 1HD1 ILE 52 5.218 4.627 -4.447 361 HD12 ILE 52 2HD1 ILE 52 6.626 5.251 -5.306 362 HD13 ILE 52 3HD1 ILE 52 5.174 6.241 -5.157 363 H ARG 53 H ARG 53 0.692 3.992 -6.516 364 HA ARG 53 HA ARG 53 0.020 1.217 -6.355 365 HB2 ARG 53 1HB ARG 53 -2.035 1.951 -5.331 366 HB3 ARG 53 2HB ARG 53 -0.709 2.910 -4.686 367 HG2 ARG 53 1HG ARG 53 -1.431 4.831 -5.672 368 HG3 ARG 53 2HG ARG 53 -2.187 3.984 -7.023 369 HD2 ARG 53 1HD ARG 53 -4.071 3.403 -5.741 370 HD3 ARG 53 2HD ARG 53 -3.260 3.794 -4.225 371 HE ARG 53 HE ARG 53 -3.514 6.064 -5.940 372 HH11 ARG 53 2HH1 ARG 53 -5.198 4.074 -3.633 373 HH12 ARG 53 1HH1 ARG 53 -6.296 5.327 -3.158 374 HH21 ARG 53 2HH2 ARG 53 -4.953 7.722 -5.323 375 HH22 ARG 53 1HH2 ARG 53 -6.157 7.401 -4.121 376 H ASN 54 H ASN 54 -0.725 3.844 -8.536 377 HA ASN 54 HA ASN 54 -2.889 2.541 -9.863 378 HB2 ASN 54 1HB ASN 54 -1.157 4.911 -10.541 379 HB3 ASN 54 2HB ASN 54 -2.377 4.307 -11.660 380 HD21 ASN 54 1HD2 ASN 54 -2.713 6.795 -10.939 381 HD22 ASN 54 2HD2 ASN 54 -3.977 6.976 -9.775 382 H ARG 55 H ARG 55 0.542 3.026 -10.661 383 HA ARG 55 HA ARG 55 0.522 1.673 -13.114 384 HB2 ARG 55 1HB ARG 55 2.358 3.150 -12.028 385 HB3 ARG 55 2HB ARG 55 2.901 1.654 -11.281 386 HG2 ARG 55 1HG ARG 55 4.179 2.038 -13.265 387 HG3 ARG 55 2HG ARG 55 3.112 0.659 -13.540 388 HD2 ARG 55 1HD ARG 55 1.777 1.814 -15.010 389 HD3 ARG 55 2HD ARG 55 2.171 3.380 -14.303 390 HE ARG 55 HE ARG 55 4.024 3.511 -15.670 391 HH11 ARG 55 2HH1 ARG 55 2.623 0.329 -15.853 392 HH12 ARG 55 1HH1 ARG 55 3.571 -0.152 -17.220 393 HH21 ARG 55 2HH2 ARG 55 5.279 2.889 -17.470 394 HH22 ARG 55 1HH2 ARG 55 5.083 1.304 -18.138 395 H THR 56 H THR 56 1.250 0.507 -9.841 396 HA THR 56 HA THR 56 2.024 -2.073 -10.375 397 HB THR 56 HB THR 56 0.286 -1.125 -8.089 398 HG1 THR 56 1HG THR 56 2.126 -0.180 -7.613 399 HG21 THR 56 1HG2 THR 56 0.705 -3.121 -6.965 400 HG22 THR 56 2HG2 THR 56 2.050 -3.548 -8.022 401 HG23 THR 56 3HG2 THR 56 0.393 -3.659 -8.615 402 H LEU 57 H LEU 57 -1.283 -0.824 -10.102 403 HA LEU 57 HA LEU 57 -2.556 -3.334 -10.463 404 HB2 LEU 57 1HB LEU 57 -3.454 -0.484 -10.674 405 HB3 LEU 57 2HB LEU 57 -4.528 -1.806 -11.125 406 HG LEU 57 HG LEU 57 -3.255 -1.789 -8.420 407 HD11 LEU 57 1HD1 LEU 57 -5.272 0.103 -9.433 408 HD12 LEU 57 2HD1 LEU 57 -4.162 0.243 -8.071 409 HD13 LEU 57 3HD1 LEU 57 -5.652 -0.683 -7.901 410 HD21 LEU 57 1HD2 LEU 57 -5.928 -2.757 -9.428 411 HD22 LEU 57 2HD2 LEU 57 -5.253 -3.014 -7.819 412 HD23 LEU 57 3HD2 LEU 57 -4.493 -3.763 -9.225 413 H GLN 58 H GLN 58 -1.743 -0.686 -12.673 414 HA GLN 58 HA GLN 58 -2.987 -1.522 -14.973 415 HB2 GLN 58 1HB GLN 58 -0.490 -0.004 -14.412 416 HB3 GLN 58 2HB GLN 58 -0.749 -0.562 -16.059 417 HG2 GLN 58 1HG GLN 58 -2.628 1.168 -14.466 418 HG3 GLN 58 2HG GLN 58 -1.548 1.713 -15.749 419 HE21 GLN 58 1HE2 GLN 58 -2.020 1.194 -17.886 420 HE22 GLN 58 2HE2 GLN 58 -3.586 0.651 -18.374 421 H LEU 59 H LEU 59 0.298 -2.421 -13.922 422 HA LEU 59 HA LEU 59 0.794 -4.221 -16.026 423 HB2 LEU 59 1HB LEU 59 1.942 -4.303 -13.241 424 HB3 LEU 59 2HB LEU 59 2.635 -5.030 -14.690 425 HG LEU 59 HG LEU 59 2.229 -2.067 -14.532 426 HD11 LEU 59 1HD1 LEU 59 3.632 -3.303 -12.582 427 HD12 LEU 59 2HD1 LEU 59 3.998 -1.692 -13.199 428 HD13 LEU 59 3HD1 LEU 59 4.886 -3.091 -13.804 429 HD21 LEU 59 1HD2 LEU 59 2.974 -3.596 -16.580 430 HD22 LEU 59 2HD2 LEU 59 4.550 -3.389 -15.817 431 HD23 LEU 59 3HD2 LEU 59 3.622 -1.976 -16.324 432 H TRP 60 H TRP 60 -0.685 -4.637 -12.860 433 HA TRP 60 HA TRP 60 -0.766 -7.462 -12.880 434 HB2 TRP 60 1HB TRP 60 -1.157 -6.676 -10.763 435 HB3 TRP 60 2HB TRP 60 -2.094 -5.297 -11.332 436 HD1 TRP 60 HD TRP 60 -4.702 -5.582 -11.511 437 HE1 TRP 60 1HE TRP 60 -6.333 -7.427 -10.762 438 HE3 TRP 60 3HE TRP 60 -1.327 -9.288 -10.504 439 HZ2 TRP 60 2HZ TRP 60 -6.205 -10.100 -9.862 440 HZ3 TRP 60 3HZ TRP 60 -2.164 -11.459 -9.703 441 HH2 TRP 60 HH TRP 60 -4.552 -11.854 -9.389 442 H LEU 61 H LEU 61 -2.979 -4.989 -14.067 443 HA LEU 61 HA LEU 61 -5.106 -6.765 -14.692 444 HB2 LEU 61 1HB LEU 61 -4.413 -3.947 -15.333 445 HB3 LEU 61 2HB LEU 61 -5.629 -4.748 -16.326 446 HG LEU 61 HG LEU 61 -5.815 -4.537 -13.326 447 HD11 LEU 61 1HD1 LEU 61 -6.662 -2.653 -15.481 448 HD12 LEU 61 2HD1 LEU 61 -5.945 -2.311 -13.907 449 HD13 LEU 61 3HD1 LEU 61 -7.633 -2.810 -14.017 450 HD21 LEU 61 1HD2 LEU 61 -7.994 -5.021 -15.341 451 HD22 LEU 61 2HD2 LEU 61 -8.053 -5.236 -13.591 452 HD23 LEU 61 3HD2 LEU 61 -7.088 -6.331 -14.583 453 H ASP 62 H ASP 62 -2.135 -6.001 -16.226 454 HA ASP 62 HA ASP 62 -2.985 -6.881 -18.854 455 HB2 ASP 62 1HB ASP 62 -1.291 -5.061 -18.515 456 HB3 ASP 62 2HB ASP 62 -0.183 -6.280 -17.891 457 H ASN 63 H ASN 63 -1.099 -8.099 -16.141 458 HA ASN 63 HA ASN 63 -1.208 -10.771 -17.358 459 HB2 ASN 63 1HB ASN 63 1.045 -11.251 -16.872 460 HB3 ASN 63 2HB ASN 63 1.087 -9.626 -17.548 461 HD21 ASN 63 1HD2 ASN 63 2.966 -10.977 -15.771 462 HD22 ASN 63 2HD2 ASN 63 3.095 -9.977 -14.367 463 HA PRO 64 HA PRO 64 -2.623 -10.493 -12.855 464 HB2 PRO 64 1HB PRO 64 -5.220 -11.155 -13.291 465 HB3 PRO 64 2HB PRO 64 -4.637 -9.486 -13.312 466 HG2 PRO 64 1HG PRO 64 -5.187 -11.330 -15.606 467 HG3 PRO 64 2HG PRO 64 -5.586 -9.611 -15.431 468 HD2 PRO 64 1HD PRO 64 -3.459 -10.473 -16.867 469 HD3 PRO 64 2HD PRO 64 -3.457 -8.929 -15.990 470 H LYS 65 H LYS 65 -2.101 -12.681 -15.248 471 HA LYS 65 HA LYS 65 -3.324 -14.998 -14.044 472 HB2 LYS 65 1HB LYS 65 -1.966 -16.232 -15.777 473 HB3 LYS 65 2HB LYS 65 -3.107 -15.054 -16.412 474 HG2 LYS 65 1HG LYS 65 -1.472 -13.666 -17.168 475 HG3 LYS 65 2HG LYS 65 -0.326 -14.151 -15.916 476 HD2 LYS 65 1HD LYS 65 -0.282 -16.420 -17.119 477 HD3 LYS 65 2HD LYS 65 -1.041 -15.568 -18.466 478 HE2 LYS 65 1HE LYS 65 0.822 -14.286 -18.880 479 HE3 LYS 65 2HE LYS 65 1.406 -14.408 -17.221 480 HZ1 LYS 65 1HZ LYS 65 2.851 -15.744 -18.415 481 HZ2 LYS 65 2HZ LYS 65 1.635 -16.377 -19.406 482 HZ3 LYS 65 3HZ LYS 65 1.749 -16.866 -17.790 483 H ILE 66 H ILE 66 -0.695 -13.161 -13.258 484 HA ILE 66 HA ILE 66 0.494 -15.382 -11.758 485 HB ILE 66 HB ILE 66 2.729 -14.770 -12.278 486 HG12 ILE 66 1HG1 ILE 66 1.695 -12.519 -14.007 487 HG13 ILE 66 2HG1 ILE 66 2.224 -12.289 -12.344 488 HG21 ILE 66 1HG2 ILE 66 0.910 -15.630 -14.247 489 HG22 ILE 66 2HG2 ILE 66 2.032 -14.525 -15.039 490 HG23 ILE 66 3HG2 ILE 66 2.646 -15.930 -14.168 491 HD11 ILE 66 1HD1 ILE 66 3.776 -12.310 -14.703 492 HD12 ILE 66 2HD1 ILE 66 4.308 -12.078 -13.037 493 HD13 ILE 66 3HD1 ILE 66 4.256 -13.699 -13.729 494 H GLN 67 H GLN 67 1.636 -14.745 -9.855 495 HA GLN 67 HA GLN 67 0.422 -12.558 -8.499 496 HB2 GLN 67 1HB GLN 67 1.560 -13.292 -6.584 497 HB3 GLN 67 2HB GLN 67 1.270 -14.764 -7.502 498 HG2 GLN 67 1HG GLN 67 3.850 -13.216 -7.430 499 HG3 GLN 67 2HG GLN 67 3.514 -14.711 -6.557 500 HE21 GLN 67 1HE2 GLN 67 4.821 -13.405 -9.313 501 HE22 GLN 67 2HE2 GLN 67 4.873 -14.827 -10.293 502 H LEU 68 H LEU 68 1.040 -10.504 -8.383 503 HA LEU 68 HA LEU 68 3.447 -9.655 -9.732 504 HB2 LEU 68 1HB LEU 68 1.203 -8.483 -9.822 505 HB3 LEU 68 2HB LEU 68 1.530 -7.934 -8.180 506 HG LEU 68 HG LEU 68 3.547 -6.766 -9.014 507 HD11 LEU 68 1HD1 LEU 68 3.346 -6.414 -11.632 508 HD12 LEU 68 2HD1 LEU 68 2.676 -8.042 -11.546 509 HD13 LEU 68 3HD1 LEU 68 4.299 -7.724 -10.934 510 HD21 LEU 68 1HD2 LEU 68 1.005 -5.916 -9.024 511 HD22 LEU 68 2HD2 LEU 68 1.384 -5.724 -10.736 512 HD23 LEU 68 3HD2 LEU 68 2.364 -4.906 -9.519 513 H THR 69 H THR 69 5.260 -10.107 -8.602 514 HA THR 69 HA THR 69 5.439 -9.846 -5.760 515 HB THR 69 HB THR 69 7.788 -10.381 -6.008 516 HG1 THR 69 1HG THR 69 7.323 -9.515 -8.616 517 HG21 THR 69 1HG2 THR 69 6.359 -12.027 -8.081 518 HG22 THR 69 2HG2 THR 69 5.975 -12.147 -6.364 519 HG23 THR 69 3HG2 THR 69 7.598 -12.537 -6.934 520 H PHE 70 H PHE 70 7.073 -8.463 -4.690 521 HA PHE 70 HA PHE 70 6.625 -5.746 -5.244 522 HB2 PHE 70 1HB PHE 70 7.151 -6.135 -3.021 523 HB3 PHE 70 2HB PHE 70 8.458 -7.246 -3.417 524 HD1 PHE 70 2HD PHE 70 7.501 -3.734 -3.045 525 HD2 PHE 70 1HD PHE 70 10.672 -6.440 -3.907 526 HE1 PHE 70 2HE PHE 70 9.131 -1.918 -2.732 527 HE2 PHE 70 1HE PHE 70 12.307 -4.628 -3.594 528 HZ PHE 70 HZ PHE 70 11.537 -2.364 -3.007 529 H GLU 71 H GLU 71 9.378 -7.856 -5.939 530 HA GLU 71 HA GLU 71 11.159 -5.942 -6.897 531 HB2 GLU 71 1HB GLU 71 10.792 -8.867 -7.326 532 HB3 GLU 71 2HB GLU 71 11.870 -8.007 -8.416 533 HG2 GLU 71 1HG GLU 71 13.117 -7.173 -6.443 534 HG3 GLU 71 2HG GLU 71 12.093 -8.180 -5.421 535 H ALA 72 H ALA 72 9.145 -8.097 -8.906 536 HA ALA 72 HA ALA 72 9.550 -7.021 -11.363 537 HB1 ALA 72 1HB ALA 72 6.717 -7.605 -10.752 538 HB2 ALA 72 2HB ALA 72 7.748 -8.206 -12.052 539 HB3 ALA 72 3HB ALA 72 7.880 -8.892 -10.432 540 H THR 73 H THR 73 6.947 -5.962 -9.162 541 HA THR 73 HA THR 73 5.944 -3.871 -10.641 542 HB THR 73 HB THR 73 6.267 -3.895 -7.634 543 HG1 THR 73 1HG THR 73 5.121 -5.705 -8.172 544 HG21 THR 73 1HG2 THR 73 3.872 -2.666 -8.705 545 HG22 THR 73 2HG2 THR 73 5.331 -1.871 -9.297 546 HG23 THR 73 3HG2 THR 73 5.051 -2.023 -7.562 547 H LEU 74 H LEU 74 8.719 -3.848 -8.441 548 HA LEU 74 HA LEU 74 9.236 -1.077 -8.602 549 HB2 LEU 74 1HB LEU 74 10.274 -2.081 -6.813 550 HB3 LEU 74 2HB LEU 74 10.781 -3.480 -7.757 551 HG LEU 74 HG LEU 74 12.403 -1.848 -8.914 552 HD11 LEU 74 1HD1 LEU 74 11.085 -0.032 -7.251 553 HD12 LEU 74 2HD1 LEU 74 12.530 0.255 -8.219 554 HD13 LEU 74 3HD1 LEU 74 12.682 -0.253 -6.537 555 HD21 LEU 74 1HD2 LEU 74 12.555 -3.359 -6.477 556 HD22 LEU 74 2HD2 LEU 74 13.627 -1.961 -6.395 557 HD23 LEU 74 3HD2 LEU 74 13.781 -3.114 -7.721 558 H GLN 75 H GLN 75 10.805 -3.825 -10.246 559 HA GLN 75 HA GLN 75 12.576 -2.428 -11.830 560 HB2 GLN 75 1HB GLN 75 11.050 -4.960 -12.445 561 HB3 GLN 75 2HB GLN 75 12.378 -4.358 -13.429 562 HG2 GLN 75 1HG GLN 75 13.676 -4.384 -11.163 563 HG3 GLN 75 2HG GLN 75 12.424 -5.532 -10.694 564 HE21 GLN 75 1HE2 GLN 75 14.842 -4.871 -13.179 565 HE22 GLN 75 2HE2 GLN 75 15.170 -6.526 -13.553 566 H GLN 76 H GLN 76 9.239 -3.362 -12.648 567 HA GLN 76 HA GLN 76 9.197 -2.121 -15.174 568 HB2 GLN 76 1HB GLN 76 6.907 -2.730 -13.297 569 HB3 GLN 76 2HB GLN 76 6.737 -2.300 -14.994 570 HG2 GLN 76 1HG GLN 76 7.587 -4.318 -15.729 571 HG3 GLN 76 2HG GLN 76 8.407 -4.644 -14.203 572 HE21 GLN 76 1HE2 GLN 76 6.776 -4.723 -12.296 573 HE22 GLN 76 2HE2 GLN 76 5.390 -5.718 -12.567 574 H LEU 77 H LEU 77 8.276 -0.969 -11.960 575 HA LEU 77 HA LEU 77 7.091 1.440 -12.639 576 HB2 LEU 77 1HB LEU 77 8.506 0.381 -10.272 577 HB3 LEU 77 2HB LEU 77 8.341 2.133 -10.366 578 HG LEU 77 HG LEU 77 5.933 0.390 -10.696 579 HD11 LEU 77 1HD1 LEU 77 5.638 0.813 -8.168 580 HD12 LEU 77 2HD1 LEU 77 7.391 1.003 -8.155 581 HD13 LEU 77 3HD1 LEU 77 6.673 -0.515 -8.693 582 HD21 LEU 77 1HD2 LEU 77 5.010 2.403 -10.871 583 HD22 LEU 77 2HD2 LEU 77 6.524 3.199 -10.438 584 HD23 LEU 77 3HD2 LEU 77 5.412 2.671 -9.174 585 H GLU 78 H GLU 78 7.969 3.641 -12.427 586 HA GLU 78 HA GLU 78 10.791 3.835 -13.232 587 HB2 GLU 78 1HB GLU 78 10.178 5.614 -14.831 588 HB3 GLU 78 2HB GLU 78 9.463 4.064 -15.248 589 HG2 GLU 78 1HG GLU 78 7.332 4.766 -14.344 590 HG3 GLU 78 2HG GLU 78 8.034 6.298 -13.827 591 H ALA 79 H ALA 79 11.900 5.127 -11.935 592 HA ALA 79 HA ALA 79 10.977 6.448 -9.736 593 HB1 ALA 79 1HB ALA 79 13.067 7.983 -10.162 594 HB2 ALA 79 2HB ALA 79 13.261 6.277 -9.758 595 HB3 ALA 79 3HB ALA 79 13.396 6.806 -11.434 596 HA PRO 80 HA PRO 80 11.875 8.446 -8.640 597 HB2 PRO 80 1HB PRO 80 10.213 9.920 -7.079 598 HB3 PRO 80 2HB PRO 80 11.501 10.636 -8.054 599 HG2 PRO 80 1HG PRO 80 8.573 10.431 -8.641 600 HG3 PRO 80 2HG PRO 80 9.669 11.804 -8.883 601 HD2 PRO 80 1HD PRO 80 8.921 10.164 -10.903 602 HD3 PRO 80 2HD PRO 80 10.514 10.945 -10.848 603 H TYR 81 H TYR 81 8.755 7.620 -9.694 604 HA TYR 81 HA TYR 81 7.380 6.659 -7.561 605 HB2 TYR 81 1HB TYR 81 7.725 5.031 -10.078 606 HB3 TYR 81 2HB TYR 81 6.320 5.097 -9.020 607 HD1 TYR 81 1HD TYR 81 6.132 8.074 -8.675 608 HD2 TYR 81 2HD TYR 81 6.796 5.690 -12.136 609 HE1 TYR 81 1HE TYR 81 5.157 9.845 -10.075 610 HE2 TYR 81 2HE TYR 81 5.824 7.455 -13.545 611 HH TYR 81 HH TYR 81 4.324 10.309 -12.143 612 H ASN 82 H ASN 82 9.654 4.625 -9.417 613 HA ASN 82 HA ASN 82 9.739 2.613 -7.402 614 HB2 ASN 82 1HB ASN 82 11.039 1.410 -8.869 615 HB3 ASN 82 2HB ASN 82 10.271 2.523 -9.997 616 HD21 ASN 82 1HD2 ASN 82 11.623 3.296 -11.429 617 HD22 ASN 82 2HD2 ASN 82 13.291 3.664 -11.171 618 H SER 83 H SER 83 11.746 5.373 -8.227 619 HA SER 83 HA SER 83 14.101 5.015 -7.021 620 HB2 SER 83 1HB SER 83 13.267 7.179 -7.970 621 HB3 SER 83 2HB SER 83 12.401 7.456 -6.459 622 HG SER 83 HG SER 83 15.174 6.933 -6.493 623 H ASP 84 H ASP 84 11.134 5.837 -5.238 624 HA ASP 84 HA ASP 84 12.467 5.369 -2.700 625 HB2 ASP 84 1HB ASP 84 10.610 7.161 -3.316 626 HB3 ASP 84 2HB ASP 84 9.525 5.841 -2.888 627 H THR 85 H THR 85 12.914 3.135 -2.894 628 HA THR 85 HA THR 85 11.130 1.115 -3.531 629 HB THR 85 HB THR 85 12.549 -0.358 -2.053 630 HG1 THR 85 1HG THR 85 14.585 0.953 -1.471 631 HG21 THR 85 1HG2 THR 85 14.690 0.835 -3.478 632 HG22 THR 85 2HG2 THR 85 13.230 1.031 -4.448 633 HG23 THR 85 3HG2 THR 85 13.733 -0.576 -3.926 634 H VAL 86 H VAL 86 11.922 2.340 -0.276 635 HA VAL 86 HA VAL 86 10.347 0.830 1.316 636 HB VAL 86 HB VAL 86 11.764 2.880 1.943 637 HG11 VAL 86 1HG1 VAL 86 10.415 4.448 0.537 638 HG12 VAL 86 2HG1 VAL 86 9.104 4.276 1.706 639 HG13 VAL 86 3HG1 VAL 86 10.646 4.973 2.205 640 HG21 VAL 86 1HG2 VAL 86 9.138 2.306 3.307 641 HG22 VAL 86 2HG2 VAL 86 10.689 1.527 3.615 642 HG23 VAL 86 3HG2 VAL 86 10.458 3.225 4.029 643 H LEU 87 H LEU 87 9.241 3.548 -0.670 644 HA LEU 87 HA LEU 87 6.545 3.459 0.206 645 HB2 LEU 87 1HB LEU 87 7.846 5.326 -1.032 646 HB3 LEU 87 2HB LEU 87 7.376 4.457 -2.492 647 HG LEU 87 HG LEU 87 5.036 4.815 -1.995 648 HD11 LEU 87 1HD1 LEU 87 6.072 6.057 0.540 649 HD12 LEU 87 2HD1 LEU 87 4.959 4.701 0.367 650 HD13 LEU 87 3HD1 LEU 87 4.441 6.328 -0.073 651 HD21 LEU 87 1HD2 LEU 87 4.972 6.971 -2.710 652 HD22 LEU 87 2HD2 LEU 87 6.693 6.664 -2.950 653 HD23 LEU 87 3HD2 LEU 87 6.142 7.522 -1.511 654 H VAL 88 H VAL 88 8.184 2.174 -2.674 655 HA VAL 88 HA VAL 88 5.934 1.046 -3.901 656 HB VAL 88 HB VAL 88 8.802 0.104 -4.028 657 HG11 VAL 88 1HG1 VAL 88 8.165 -0.945 -6.141 658 HG12 VAL 88 2HG1 VAL 88 7.239 -1.610 -4.793 659 HG13 VAL 88 3HG1 VAL 88 6.493 -0.446 -5.889 660 HG21 VAL 88 1HG2 VAL 88 7.245 2.158 -5.562 661 HG22 VAL 88 2HG2 VAL 88 8.815 2.319 -4.775 662 HG23 VAL 88 3HG2 VAL 88 8.663 1.372 -6.255 663 H HIS 89 H HIS 89 7.801 0.011 -1.184 664 HA HIS 89 HA HIS 89 6.886 -2.727 -1.278 665 HB2 HIS 89 1HB HIS 89 9.111 -1.860 -0.293 666 HB3 HIS 89 2HB HIS 89 8.150 -1.407 1.111 667 HD1 HIS 89 1HD HIS 89 6.686 -3.545 2.109 668 HD2 HIS 89 2HD HIS 89 10.073 -4.380 -0.149 669 HE1 HIS 89 1HE HIS 89 7.309 -5.913 2.681 670 HE2 HIS 89 2HE HIS 89 9.410 -6.367 1.368 671 H ARG 90 H ARG 90 6.094 0.224 0.472 672 HA ARG 90 HA ARG 90 4.179 -1.080 2.182 673 HB2 ARG 90 1HB ARG 90 4.804 1.832 1.679 674 HB3 ARG 90 2HB ARG 90 3.600 1.280 2.835 675 HG2 ARG 90 1HG ARG 90 5.162 0.511 4.310 676 HG3 ARG 90 2HG ARG 90 6.355 0.192 3.049 677 HD2 ARG 90 1HD ARG 90 6.913 2.482 2.866 678 HD3 ARG 90 2HD ARG 90 5.506 2.974 3.807 679 HE ARG 90 HE ARG 90 8.032 1.993 4.824 680 HH11 ARG 90 2HH1 ARG 90 4.680 2.662 5.489 681 HH12 ARG 90 1HH1 ARG 90 4.906 2.762 7.204 682 HH21 ARG 90 2HH2 ARG 90 8.341 2.123 7.080 683 HH22 ARG 90 1HH2 ARG 90 6.989 2.457 8.108 684 H VAL 91 H VAL 91 4.154 0.583 -0.876 685 HA VAL 91 HA VAL 91 1.317 1.001 -0.956 686 HB VAL 91 HB VAL 91 3.359 1.058 -3.183 687 HG11 VAL 91 1HG1 VAL 91 0.669 0.804 -3.497 688 HG12 VAL 91 2HG1 VAL 91 0.858 2.558 -3.489 689 HG13 VAL 91 3HG1 VAL 91 1.747 1.579 -4.656 690 HG21 VAL 91 1HG2 VAL 91 2.818 2.866 -1.056 691 HG22 VAL 91 2HG2 VAL 91 3.959 3.044 -2.389 692 HG23 VAL 91 3HG2 VAL 91 2.299 3.614 -2.567 693 H HIS 92 H HIS 92 3.514 -1.189 -2.718 694 HA HIS 92 HA HIS 92 1.596 -2.655 -4.080 695 HB2 HIS 92 1HB HIS 92 4.060 -2.794 -4.447 696 HB3 HIS 92 2HB HIS 92 4.192 -3.735 -2.964 697 HD1 HIS 92 1HD HIS 92 2.885 -6.096 -3.007 698 HD2 HIS 92 2HD HIS 92 3.503 -4.255 -6.680 699 HE1 HIS 92 1HE HIS 92 2.539 -7.896 -4.729 700 HE2 HIS 92 2HE HIS 92 3.002 -6.779 -6.938 701 H SER 93 H SER 93 2.552 -2.802 -0.742 702 HA SER 93 HA SER 93 1.412 -5.358 -0.182 703 HB2 SER 93 1HB SER 93 1.580 -4.527 2.232 704 HB3 SER 93 2HB SER 93 3.089 -4.624 1.325 705 HG SER 93 HG SER 93 1.969 -2.490 2.482 706 H TYR 94 H TYR 94 0.390 -2.119 0.913 707 HA TYR 94 HA TYR 94 -2.039 -2.677 1.965 708 HB2 TYR 94 1HB TYR 94 -1.559 -0.441 2.134 709 HB3 TYR 94 2HB TYR 94 -0.972 -0.330 0.478 710 HD1 TYR 94 2HD TYR 94 -2.685 -0.335 -1.402 711 HD2 TYR 94 1HD TYR 94 -3.745 0.218 2.682 712 HE1 TYR 94 2HE TYR 94 -4.826 0.656 -2.098 713 HE2 TYR 94 1HE TYR 94 -5.890 1.209 1.997 714 HH TYR 94 HH TYR 94 -7.346 0.853 -0.564 715 H LEU 95 H LEU 95 -1.237 -2.539 -1.450 716 HA LEU 95 HA LEU 95 -3.913 -2.692 -2.403 717 HB2 LEU 95 1HB LEU 95 -1.276 -3.340 -3.706 718 HB3 LEU 95 2HB LEU 95 -2.822 -3.361 -4.552 719 HG LEU 95 HG LEU 95 -1.767 -0.895 -3.191 720 HD11 LEU 95 1HD1 LEU 95 -0.795 -2.176 -5.589 721 HD12 LEU 95 2HD1 LEU 95 -0.175 -0.764 -4.734 722 HD13 LEU 95 3HD1 LEU 95 -1.455 -0.576 -5.933 723 HD21 LEU 95 1HD2 LEU 95 -3.359 0.258 -4.509 724 HD22 LEU 95 2HD2 LEU 95 -4.204 -1.121 -3.805 725 HD23 LEU 95 3HD2 LEU 95 -3.688 -1.169 -5.491 726 H GLU 96 H GLU 96 -1.311 -5.123 -2.201 727 HA GLU 96 HA GLU 96 -2.933 -7.296 -2.993 728 HB2 GLU 96 1HB GLU 96 -0.486 -7.359 -3.129 729 HB3 GLU 96 2HB GLU 96 -0.379 -7.291 -1.376 730 HG2 GLU 96 1HG GLU 96 -1.800 -9.445 -1.439 731 HG3 GLU 96 2HG GLU 96 -1.286 -9.536 -3.123 732 H ARG 97 H ARG 97 -1.670 -6.459 0.239 733 HA ARG 97 HA ARG 97 -2.864 -8.329 1.788 734 HB2 ARG 97 1HB ARG 97 -2.544 -5.380 2.346 735 HB3 ARG 97 2HB ARG 97 -3.050 -6.540 3.567 736 HG2 ARG 97 1HG ARG 97 -0.865 -7.791 2.840 737 HG3 ARG 97 2HG ARG 97 -0.398 -6.189 2.266 738 HD2 ARG 97 1HD ARG 97 -0.712 -5.258 4.466 739 HD3 ARG 97 2HD ARG 97 -1.350 -6.790 5.062 740 HE ARG 97 HE ARG 97 1.337 -6.899 3.995 741 HH11 ARG 97 2HH1 ARG 97 -0.669 -6.495 6.812 742 HH12 ARG 97 1HH1 ARG 97 0.579 -6.944 7.926 743 HH21 ARG 97 2HH2 ARG 97 2.989 -7.492 5.452 744 HH22 ARG 97 1HH2 ARG 97 2.660 -7.510 7.152 745 H HIS 98 H HIS 98 -4.403 -5.304 0.720 746 HA HIS 98 HA HIS 98 -6.891 -5.765 1.946 747 HB2 HIS 98 1HB HIS 98 -6.069 -4.075 -0.412 748 HB3 HIS 98 2HB HIS 98 -7.729 -4.123 0.174 749 HD1 HIS 98 1HD HIS 98 -7.799 -1.727 1.008 750 HD2 HIS 98 2HD HIS 98 -4.689 -3.941 2.648 751 HE1 HIS 98 1HE HIS 98 -6.869 -0.308 2.866 752 HE2 HIS 98 2HE HIS 98 -4.935 -1.632 3.787 753 H GLY 99 H GLY 99 -5.714 -6.496 -1.323 754 HA2 GLY 99 1HA GLY 99 -6.462 -8.669 -2.237 755 HA3 GLY 99 2HA GLY 99 -8.068 -8.253 -1.655 756 H LEU 100 H LEU 100 -5.862 -6.018 -3.237 757 HA LEU 100 HA LEU 100 -7.851 -5.669 -5.360 758 HB2 LEU 100 1HB LEU 100 -5.468 -3.908 -4.924 759 HB3 LEU 100 2HB LEU 100 -7.002 -3.522 -5.701 760 HG LEU 100 HG LEU 100 -6.269 -3.514 -2.822 761 HD11 LEU 100 1HD1 LEU 100 -7.887 -1.806 -4.688 762 HD12 LEU 100 2HD1 LEU 100 -6.403 -1.398 -3.828 763 HD13 LEU 100 3HD1 LEU 100 -7.914 -1.581 -2.938 764 HD21 LEU 100 1HD2 LEU 100 -8.962 -3.443 -2.640 765 HD22 LEU 100 2HD2 LEU 100 -7.989 -4.882 -2.332 766 HD23 LEU 100 3HD2 LEU 100 -8.757 -4.656 -3.904 767 H ILE 101 H ILE 101 -4.773 -7.003 -4.777 768 HA ILE 101 HA ILE 101 -4.467 -7.556 -7.632 769 HB ILE 101 HB ILE 101 -2.061 -7.085 -7.574 770 HG12 ILE 101 1HG1 ILE 101 -2.471 -5.652 -4.961 771 HG13 ILE 101 2HG1 ILE 101 -2.004 -7.348 -4.998 772 HG21 ILE 101 1HG2 ILE 101 -3.626 -5.382 -8.383 773 HG22 ILE 101 2HG2 ILE 101 -3.732 -4.712 -6.756 774 HG23 ILE 101 3HG2 ILE 101 -2.203 -4.657 -7.634 775 HD11 ILE 101 1HD1 ILE 101 -0.159 -6.363 -6.654 776 HD12 ILE 101 2HD1 ILE 101 -0.446 -4.936 -5.657 777 HD13 ILE 101 3HD1 ILE 101 0.057 -6.450 -4.906 778 H ASN 102 H ASN 102 -3.493 -9.506 -8.099 779 HA ASN 102 HA ASN 102 -2.757 -11.636 -7.780 780 HB2 ASN 102 1HB ASN 102 -1.851 -10.681 -5.056 781 HB3 ASN 102 2HB ASN 102 -1.299 -12.124 -5.902 782 HD21 ASN 102 1HD2 ASN 102 0.821 -11.186 -5.549 783 HD22 ASN 102 2HD2 ASN 102 1.418 -10.012 -6.668 784 H PHE 103 H PHE 103 -5.363 -11.424 -7.514 785 HA PHE 103 HA PHE 103 -6.017 -13.012 -5.120 786 HB2 PHE 103 1HB PHE 103 -8.367 -12.056 -5.427 787 HB3 PHE 103 2HB PHE 103 -7.138 -10.953 -4.816 788 HD1 PHE 103 1HD PHE 103 -8.219 -12.101 -8.202 789 HD2 PHE 103 2HD PHE 103 -7.383 -8.826 -5.616 790 HE1 PHE 103 1HE PHE 103 -8.727 -10.533 -10.029 791 HE2 PHE 103 2HE PHE 103 -7.891 -7.253 -7.438 792 HZ PHE 103 HZ PHE 103 -8.564 -8.105 -9.648 793 H GLY 104 H GLY 104 -5.200 -13.755 -7.923 794 HA2 GLY 104 1HA GLY 104 -7.013 -15.929 -8.239 795 HA3 GLY 104 2HA GLY 104 -7.294 -14.700 -9.463 796 H ILE 105 H ILE 105 -4.299 -15.929 -7.986 797 HA ILE 105 HA ILE 105 -3.456 -16.852 -10.648 798 HB ILE 105 HB ILE 105 -1.200 -16.015 -10.270 799 HG12 ILE 105 1HG1 ILE 105 -1.298 -16.112 -7.774 800 HG13 ILE 105 2HG1 ILE 105 -0.635 -14.604 -8.395 801 HG21 ILE 105 1HG2 ILE 105 -1.903 -13.471 -10.119 802 HG22 ILE 105 2HG2 ILE 105 -2.299 -14.459 -11.524 803 HG23 ILE 105 3HG2 ILE 105 -3.518 -14.158 -10.286 804 HD11 ILE 105 1HD1 ILE 105 -2.938 -15.058 -6.722 805 HD12 ILE 105 2HD1 ILE 105 -2.069 -13.563 -7.069 806 HD13 ILE 105 3HD1 ILE 105 -3.349 -14.111 -8.151 807 H TYR 106 H TYR 106 -3.086 -17.060 -7.153 808 HA TYR 106 HA TYR 106 -1.875 -19.725 -7.499 809 HB2 TYR 106 1HB TYR 106 -1.141 -19.256 -5.026 810 HB3 TYR 106 2HB TYR 106 -0.228 -18.564 -6.362 811 HD1 TYR 106 1HD TYR 106 -3.154 -17.697 -4.197 812 HD2 TYR 106 2HD TYR 106 0.335 -16.334 -6.215 813 HE1 TYR 106 1HE TYR 106 -3.497 -15.450 -3.259 814 HE2 TYR 106 2HE TYR 106 0.003 -14.083 -5.281 815 HH TYR 106 HH TYR 106 -1.120 -12.900 -3.683 816 H LYS 107 H LYS 107 -4.583 -18.017 -6.443 817 HA LYS 107 HA LYS 107 -6.549 -18.685 -5.506 818 HB2 LYS 107 1HB LYS 107 -6.140 -20.756 -6.874 819 HB3 LYS 107 2HB LYS 107 -5.380 -21.470 -5.458 820 HG2 LYS 107 1HG LYS 107 -7.634 -20.874 -4.293 821 HG3 LYS 107 2HG LYS 107 -8.249 -20.829 -5.947 822 HD2 LYS 107 1HD LYS 107 -8.619 -23.032 -5.193 823 HD3 LYS 107 2HD LYS 107 -7.202 -23.125 -6.241 824 HE2 LYS 107 1HE LYS 107 -6.526 -24.376 -4.425 825 HE3 LYS 107 2HE LYS 107 -5.881 -22.786 -4.024 826 HZ1 LYS 107 1HZ LYS 107 -6.909 -23.514 -2.083 827 HZ2 LYS 107 2HZ LYS 107 -8.252 -24.141 -2.898 828 HZ3 LYS 107 3HZ LYS 107 -8.050 -22.466 -2.763 829 H ARG 108 H ARG 108 -4.982 -17.472 -3.797 830 HA ARG 108 HA ARG 108 -4.982 -19.143 -1.369 831 HB2 ARG 108 1HB ARG 108 -2.765 -18.157 -2.295 832 HB3 ARG 108 2HB ARG 108 -3.361 -16.632 -1.654 833 HG2 ARG 108 1HG ARG 108 -3.119 -19.112 0.023 834 HG3 ARG 108 2HG ARG 108 -1.806 -17.948 -0.167 835 HD2 ARG 108 1HD ARG 108 -3.275 -16.176 0.692 836 HD3 ARG 108 2HD ARG 108 -4.563 -17.361 0.909 837 HE ARG 108 HE ARG 108 -2.235 -16.989 2.578 838 HH11 ARG 108 2HH1 ARG 108 -4.826 -19.117 1.642 839 HH12 ARG 108 1HH1 ARG 108 -4.773 -20.039 3.107 840 HH21 ARG 108 2HH2 ARG 108 -2.155 -18.196 4.512 841 HH22 ARG 108 1HH2 ARG 108 -3.254 -19.514 4.740 842 H ILE 109 H ILE 109 -4.940 -15.643 -2.041 843 HA ILE 109 HA ILE 109 -6.728 -15.148 0.164 844 HB ILE 109 HB ILE 109 -5.766 -13.172 -1.903 845 HG12 ILE 109 1HG1 ILE 109 -3.844 -14.268 -0.868 846 HG13 ILE 109 2HG1 ILE 109 -3.985 -12.612 -0.290 847 HG21 ILE 109 1HG2 ILE 109 -6.354 -11.487 -0.363 848 HG22 ILE 109 2HG2 ILE 109 -7.722 -12.598 -0.399 849 HG23 ILE 109 3HG2 ILE 109 -6.579 -12.651 0.943 850 HD11 ILE 109 1HD1 ILE 109 -4.889 -13.356 1.795 851 HD12 ILE 109 2HD1 ILE 109 -4.972 -15.020 1.215 852 HD13 ILE 109 3HD1 ILE 109 -3.405 -14.251 1.468 853 H LYS 110 H LYS 110 -8.841 -15.449 -0.018 854 HA LYS 110 HA LYS 110 -10.282 -14.276 -2.240 855 HB2 LYS 110 1HB LYS 110 -11.275 -16.206 -3.085 856 HB3 LYS 110 2HB LYS 110 -9.608 -16.705 -2.826 857 HG2 LYS 110 1HG LYS 110 -11.788 -17.195 -0.817 858 HG3 LYS 110 2HG LYS 110 -11.381 -18.336 -2.100 859 HD2 LYS 110 1HD LYS 110 -8.939 -17.977 -1.131 860 HD3 LYS 110 2HD LYS 110 -9.846 -17.568 0.327 861 HE2 LYS 110 1HE LYS 110 -10.205 -20.108 -1.258 862 HE3 LYS 110 2HE LYS 110 -9.196 -19.964 0.181 863 HZ1 LYS 110 1HZ LYS 110 -11.523 -20.837 0.516 864 HZ2 LYS 110 2HZ LYS 110 -12.073 -19.271 0.196 865 HZ3 LYS 110 3HZ LYS 110 -11.061 -19.557 1.520 866 HA PRO 111 HA PRO 111 -13.289 -13.518 0.868 867 HB2 PRO 111 1HB PRO 111 -15.560 -13.433 -0.617 868 HB3 PRO 111 2HB PRO 111 -14.340 -12.154 -0.653 869 HG2 PRO 111 1HG PRO 111 -14.776 -14.410 -2.572 870 HG3 PRO 111 2HG PRO 111 -14.413 -12.708 -2.910 871 HD2 PRO 111 1HD PRO 111 -12.524 -14.645 -2.997 872 HD3 PRO 111 2HD PRO 111 -12.160 -12.978 -2.509 873 H LEU 112 H LEU 112 -15.512 -14.318 1.629 874 HA LEU 112 HA LEU 112 -15.687 -17.237 1.264 875 HB2 LEU 112 1HB LEU 112 -16.445 -15.848 3.809 876 HB3 LEU 112 2HB LEU 112 -16.105 -17.556 3.543 877 HG LEU 112 HG LEU 112 -13.701 -16.433 2.939 878 HD11 LEU 112 1HD1 LEU 112 -14.074 -15.009 5.425 879 HD12 LEU 112 2HD1 LEU 112 -15.095 -14.356 4.144 880 HD13 LEU 112 3HD1 LEU 112 -13.350 -14.466 3.911 881 HD21 LEU 112 1HD2 LEU 112 -14.552 -18.302 4.604 882 HD22 LEU 112 2HD2 LEU 112 -14.258 -17.035 5.796 883 HD23 LEU 112 3HD2 LEU 112 -12.946 -17.589 4.755 884 HA PRO 113 HA PRO 113 -19.935 -16.755 0.268 885 HB2 PRO 113 1HB PRO 113 -20.987 -19.035 1.303 886 HB3 PRO 113 2HB PRO 113 -19.974 -19.015 -0.145 887 HG2 PRO 113 1HG PRO 113 -19.229 -19.677 2.677 888 HG3 PRO 113 2HG PRO 113 -18.763 -20.497 1.176 889 HD2 PRO 113 1HD PRO 113 -17.121 -18.771 2.463 890 HD3 PRO 113 2HD PRO 113 -17.117 -18.956 0.697 891 H THR 114 H THR 114 -20.148 -14.911 1.766 892 HA THR 114 HA THR 114 -21.684 -15.617 4.181 893 HB THR 114 HB THR 114 -21.004 -13.496 5.161 894 HG1 THR 114 1HG THR 114 -19.937 -13.094 2.596 895 HG21 THR 114 1HG2 THR 114 -19.114 -14.406 5.937 896 HG22 THR 114 2HG2 THR 114 -18.334 -14.306 4.359 897 HG23 THR 114 3HG2 THR 114 -19.356 -15.688 4.751 898 H LYS 115 H LYS 115 -21.505 -13.561 1.341 899 HA LYS 115 HA LYS 115 -24.090 -12.352 1.966 900 HB2 LYS 115 1HB LYS 115 -23.655 -10.810 0.203 901 HB3 LYS 115 2HB LYS 115 -22.158 -10.979 1.110 902 HG2 LYS 115 1HG LYS 115 -21.630 -12.800 -0.698 903 HG3 LYS 115 2HG LYS 115 -22.828 -11.906 -1.637 904 HD2 LYS 115 1HD LYS 115 -21.518 -9.825 -1.164 905 HD3 LYS 115 2HD LYS 115 -20.272 -10.843 -0.440 906 HE2 LYS 115 1HE LYS 115 -19.896 -11.966 -2.525 907 HE3 LYS 115 2HE LYS 115 -21.273 -11.153 -3.266 908 HZ1 LYS 115 1HZ LYS 115 -19.346 -9.332 -2.170 909 HZ2 LYS 115 2HZ LYS 115 -20.054 -9.359 -3.706 910 HZ3 LYS 115 3HZ LYS 115 -18.697 -10.316 -3.383 911 H LYS 116 H LYS 116 -25.443 -12.020 -0.198 912 HA LYS 116 HA LYS 116 -26.422 -14.589 -0.887 913 HB2 LYS 116 1HB LYS 116 -27.016 -11.795 -1.806 914 HB3 LYS 116 2HB LYS 116 -27.715 -13.169 -2.654 915 HG2 LYS 116 1HG LYS 116 -29.366 -12.638 -1.144 916 HG3 LYS 116 2HG LYS 116 -28.487 -13.910 -0.291 917 HD2 LYS 116 1HD LYS 116 -27.241 -12.207 0.954 918 HD3 LYS 116 2HD LYS 116 -28.125 -10.938 0.102 919 HE2 LYS 116 1HE LYS 116 -29.567 -13.061 1.651 920 HE3 LYS 116 2HE LYS 116 -28.914 -11.636 2.457 921 HZ1 LYS 116 1HZ LYS 116 -31.126 -11.843 0.550 922 HZ2 LYS 116 2HZ LYS 116 -30.201 -10.427 0.540 923 HZ3 LYS 116 3HZ LYS 116 -30.996 -10.907 1.954 924 H THR 117 H THR 117 -26.633 -15.439 -3.083 925 HA THR 117 HA THR 117 -24.261 -14.823 -4.724 926 HB THR 117 HB THR 117 -24.002 -17.024 -3.787 927 HG1 THR 117 1HG THR 117 -24.886 -17.179 -6.496 928 HG21 THR 117 1HG2 THR 117 -26.794 -17.137 -3.930 929 HG22 THR 117 2HG2 THR 117 -25.705 -18.398 -3.351 930 HG23 THR 117 3HG2 THR 117 -26.219 -18.383 -5.038 931 H GLY 118 H GLY 118 -27.688 -15.216 -4.634 932 HA2 GLY 118 1HA GLY 118 -28.198 -15.685 -7.367 933 HA3 GLY 118 2HA GLY 118 -29.322 -14.960 -6.226 934 H SER 119 H SER 119 -27.868 -14.445 -9.077 935 HA SER 119 HA SER 119 -27.966 -11.523 -8.737 936 HB2 SER 119 1HB SER 119 -25.873 -13.197 -10.088 937 HB3 SER 119 2HB SER 119 -26.185 -11.556 -10.653 938 HG SER 119 HG SER 119 -24.664 -12.250 -8.660 939 H GLY 120 H GLY 120 -28.007 -10.474 -11.053 940 HA2 GLY 120 1HA GLY 120 -30.098 -11.912 -12.563 941 HA3 GLY 120 2HA GLY 120 -29.987 -10.163 -12.441 942 HA PRO 121 HA PRO 121 -27.593 -12.033 -16.162 943 HB2 PRO 121 1HB PRO 121 -29.496 -11.885 -18.092 944 HB3 PRO 121 2HB PRO 121 -29.239 -13.329 -17.105 945 HG2 PRO 121 1HG PRO 121 -31.292 -11.171 -16.806 946 HG3 PRO 121 2HG PRO 121 -31.485 -12.928 -16.658 947 HD2 PRO 121 1HD PRO 121 -31.269 -11.300 -14.505 948 HD3 PRO 121 2HD PRO 121 -30.654 -12.965 -14.509 949 H SER 122 H SER 122 -29.732 -9.365 -15.578 950 HA SER 122 HA SER 122 -29.417 -7.695 -17.699 951 HB2 SER 122 1HB SER 122 -30.633 -7.262 -15.484 952 HB3 SER 122 2HB SER 122 -29.084 -6.675 -14.880 953 HG SER 122 HG SER 122 -29.096 -5.116 -16.521 954 H SER 123 H SER 123 -27.785 -6.747 -18.725 955 HA SER 123 HA SER 123 -25.146 -7.289 -18.401 956 HB2 SER 123 1HB SER 123 -24.647 -5.347 -19.758 957 HB3 SER 123 2HB SER 123 -26.156 -6.059 -20.330 958 HG SER 123 HG SER 123 -27.283 -4.414 -19.442 959 H GLY 124 H GLY 124 -23.331 -6.166 -17.528 960 HA2 GLY 124 1HA GLY 124 -23.846 -4.088 -15.550 961 HA3 GLY 124 2HA GLY 124 -23.235 -5.614 -14.928 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.741 -15.916 -22.392 2 HA2 GLY 1 1HA GLY 1 -16.851 -14.790 -20.164 3 HA3 GLY 1 2HA GLY 1 -15.975 -13.862 -21.373 4 H SER 2 H SER 2 -17.353 -12.075 -20.874 5 HA SER 2 HA SER 2 -20.033 -12.321 -22.077 6 HB2 SER 2 1HB SER 2 -20.876 -10.699 -20.518 7 HB3 SER 2 2HB SER 2 -20.019 -11.928 -19.587 8 HG SER 2 HG SER 2 -18.277 -10.527 -19.401 9 H SER 3 H SER 3 -17.301 -10.142 -21.478 10 HA SER 3 HA SER 3 -16.779 -8.113 -22.458 11 HB2 SER 3 1HB SER 3 -16.213 -8.428 -24.847 12 HB3 SER 3 2HB SER 3 -15.660 -9.777 -23.854 13 HG SER 3 HG SER 3 -17.942 -9.684 -25.534 14 H GLY 4 H GLY 4 -19.485 -8.081 -21.836 15 HA2 GLY 4 1HA GLY 4 -21.016 -7.293 -24.150 16 HA3 GLY 4 2HA GLY 4 -21.541 -7.221 -22.474 17 H SER 5 H SER 5 -19.607 -5.607 -21.358 18 HA SER 5 HA SER 5 -20.145 -3.056 -22.724 19 HB2 SER 5 1HB SER 5 -20.950 -3.627 -20.275 20 HB3 SER 5 2HB SER 5 -19.295 -3.184 -19.857 21 HG SER 5 HG SER 5 -20.629 -1.451 -21.559 22 H SER 6 H SER 6 -17.664 -4.841 -20.928 23 HA SER 6 HA SER 6 -15.616 -2.906 -21.374 24 HB2 SER 6 1HB SER 6 -14.095 -4.612 -20.483 25 HB3 SER 6 2HB SER 6 -15.541 -4.486 -19.481 26 HG SER 6 HG SER 6 -15.293 -6.626 -19.799 27 H GLY 7 H GLY 7 -14.084 -2.781 -22.942 28 HA2 GLY 7 1HA GLY 7 -14.023 -4.896 -24.986 29 HA3 GLY 7 2HA GLY 7 -14.285 -3.229 -25.478 30 H GLU 8 H GLU 8 -12.535 -2.198 -26.151 31 HA GLU 8 HA GLU 8 -9.959 -3.290 -26.058 32 HB2 GLU 8 1HB GLU 8 -10.819 -1.567 -27.688 33 HB3 GLU 8 2HB GLU 8 -10.618 -0.366 -26.420 34 HG2 GLU 8 1HG GLU 8 -8.270 -0.656 -26.391 35 HG3 GLU 8 2HG GLU 8 -8.369 -2.096 -27.403 36 H GLU 9 H GLU 9 -8.118 -2.758 -24.870 37 HA GLU 9 HA GLU 9 -8.585 -2.136 -22.128 38 HB2 GLU 9 1HB GLU 9 -6.216 -2.468 -21.825 39 HB3 GLU 9 2HB GLU 9 -6.827 -3.708 -22.911 40 HG2 GLU 9 1HG GLU 9 -6.073 -2.000 -24.758 41 HG3 GLU 9 2HG GLU 9 -5.020 -1.417 -23.470 42 HA PRO 10 HA PRO 10 -8.196 2.253 -22.276 43 HB2 PRO 10 1HB PRO 10 -7.654 2.686 -19.651 44 HB3 PRO 10 2HB PRO 10 -9.264 2.256 -20.241 45 HG2 PRO 10 1HG PRO 10 -7.175 0.511 -18.995 46 HG3 PRO 10 2HG PRO 10 -8.924 0.543 -18.706 47 HD2 PRO 10 1HD PRO 10 -7.744 -1.306 -20.294 48 HD3 PRO 10 2HD PRO 10 -9.386 -0.700 -20.592 49 H SER 11 H SER 11 -6.512 3.317 -23.088 50 HA SER 11 HA SER 11 -3.804 2.541 -22.419 51 HB2 SER 11 1HB SER 11 -4.834 4.677 -24.302 52 HB3 SER 11 2HB SER 11 -3.152 4.168 -24.158 53 HG SER 11 HG SER 11 -4.342 3.149 -25.892 54 H GLY 12 H GLY 12 -3.605 3.181 -20.253 55 HA2 GLY 12 1HA GLY 12 -2.417 5.568 -19.688 56 HA3 GLY 12 2HA GLY 12 -4.127 5.896 -19.454 57 H VAL 13 H VAL 13 -1.507 5.368 -17.751 58 HA VAL 13 HA VAL 13 -2.026 3.211 -16.049 59 HB VAL 13 HB VAL 13 -0.645 5.807 -15.350 60 HG11 VAL 13 1HG1 VAL 13 0.464 3.602 -13.986 61 HG12 VAL 13 2HG1 VAL 13 -0.423 4.968 -13.307 62 HG13 VAL 13 3HG1 VAL 13 -1.285 3.504 -13.785 63 HG21 VAL 13 1HG2 VAL 13 0.189 3.418 -16.885 64 HG22 VAL 13 2HG2 VAL 13 0.701 5.098 -17.036 65 HG23 VAL 13 3HG2 VAL 13 1.362 4.088 -15.751 66 H GLU 14 H GLU 14 -2.877 6.649 -15.681 67 HA GLU 14 HA GLU 14 -4.108 6.564 -13.219 68 HB2 GLU 14 1HB GLU 14 -4.607 8.225 -15.668 69 HB3 GLU 14 2HB GLU 14 -5.620 8.416 -14.244 70 HG2 GLU 14 1HG GLU 14 -3.734 9.036 -12.907 71 HG3 GLU 14 2HG GLU 14 -2.624 8.670 -14.226 72 H GLY 15 H GLY 15 -5.502 5.802 -16.388 73 HA2 GLY 15 1HA GLY 15 -8.143 5.513 -15.888 74 HA3 GLY 15 2HA GLY 15 -7.254 4.377 -16.892 75 H ALA 16 H ALA 16 -5.671 3.108 -15.030 76 HA ALA 16 HA ALA 16 -7.082 1.005 -14.142 77 HB1 ALA 16 1HB ALA 16 -4.522 1.761 -13.837 78 HB2 ALA 16 2HB ALA 16 -5.087 1.928 -12.174 79 HB3 ALA 16 3HB ALA 16 -5.235 0.379 -13.004 80 H ALA 17 H ALA 17 -6.402 3.829 -12.065 81 HA ALA 17 HA ALA 17 -7.686 3.249 -9.787 82 HB1 ALA 17 1HB ALA 17 -6.754 5.551 -10.876 83 HB2 ALA 17 2HB ALA 17 -8.483 5.889 -10.793 84 HB3 ALA 17 3HB ALA 17 -7.600 5.447 -9.332 85 H PHE 18 H PHE 18 -9.284 4.182 -12.801 86 HA PHE 18 HA PHE 18 -11.843 4.618 -12.163 87 HB2 PHE 18 1HB PHE 18 -11.289 4.508 -14.465 88 HB3 PHE 18 2HB PHE 18 -10.756 2.836 -14.337 89 HD1 PHE 18 1HD PHE 18 -12.387 1.020 -14.175 90 HD2 PHE 18 2HD PHE 18 -13.598 5.063 -14.728 91 HE1 PHE 18 1HE PHE 18 -14.622 0.253 -14.861 92 HE2 PHE 18 2HE PHE 18 -15.835 4.303 -15.414 93 HZ PHE 18 HZ PHE 18 -16.350 1.895 -15.480 94 H GLN 19 H GLN 19 -10.777 1.272 -12.792 95 HA GLN 19 HA GLN 19 -12.917 -0.139 -11.973 96 HB2 GLN 19 1HB GLN 19 -11.494 -1.977 -11.509 97 HB3 GLN 19 2HB GLN 19 -10.684 -1.039 -12.756 98 HG2 GLN 19 1HG GLN 19 -8.924 -1.405 -11.381 99 HG3 GLN 19 2HG GLN 19 -9.534 0.082 -10.658 100 HE21 GLN 19 1HE2 GLN 19 -8.529 -0.515 -8.698 101 HE22 GLN 19 2HE2 GLN 19 -9.238 -1.697 -7.656 102 H SER 20 H SER 20 -10.608 1.471 -9.865 103 HA SER 20 HA SER 20 -11.923 0.469 -7.475 104 HB2 SER 20 1HB SER 20 -9.350 0.987 -7.878 105 HB3 SER 20 2HB SER 20 -9.835 2.601 -7.359 106 HG SER 20 HG SER 20 -9.816 0.195 -5.930 107 H ARG 21 H ARG 21 -13.164 1.657 -6.084 108 HA ARG 21 HA ARG 21 -14.408 4.020 -7.189 109 HB2 ARG 21 1HB ARG 21 -14.927 2.250 -4.829 110 HB3 ARG 21 2HB ARG 21 -15.673 3.840 -4.900 111 HG2 ARG 21 1HG ARG 21 -17.281 2.435 -5.803 112 HG3 ARG 21 2HG ARG 21 -16.497 3.130 -7.224 113 HD2 ARG 21 1HD ARG 21 -14.956 0.990 -6.951 114 HD3 ARG 21 2HD ARG 21 -16.396 0.361 -6.151 115 HE ARG 21 HE ARG 21 -16.078 0.952 -8.965 116 HH11 ARG 21 2HH1 ARG 21 -18.286 0.318 -6.349 117 HH12 ARG 21 1HH1 ARG 21 -19.576 -0.189 -7.388 118 HH21 ARG 21 2HH2 ARG 21 -17.770 0.287 -10.344 119 HH22 ARG 21 1HH2 ARG 21 -19.281 -0.207 -9.660 120 H LEU 22 H LEU 22 -11.727 4.487 -6.642 121 HA LEU 22 HA LEU 22 -11.951 6.499 -4.517 122 HB2 LEU 22 1HB LEU 22 -9.878 5.956 -3.568 123 HB3 LEU 22 2HB LEU 22 -10.718 4.420 -3.770 124 HG LEU 22 HG LEU 22 -9.331 4.357 -6.019 125 HD11 LEU 22 1HD1 LEU 22 -8.211 6.601 -4.594 126 HD12 LEU 22 2HD1 LEU 22 -7.884 6.028 -6.229 127 HD13 LEU 22 3HD1 LEU 22 -7.002 5.346 -4.862 128 HD21 LEU 22 1HD2 LEU 22 -9.007 2.576 -4.608 129 HD22 LEU 22 2HD2 LEU 22 -8.584 3.598 -3.234 130 HD23 LEU 22 3HD2 LEU 22 -7.422 3.346 -4.537 131 HA PRO 23 HA PRO 23 -10.224 9.274 -7.450 132 HB2 PRO 23 1HB PRO 23 -8.943 11.014 -5.806 133 HB3 PRO 23 2HB PRO 23 -10.703 10.951 -5.955 134 HG2 PRO 23 1HG PRO 23 -8.936 9.761 -3.852 135 HG3 PRO 23 2HG PRO 23 -10.477 10.618 -3.665 136 HD2 PRO 23 1HD PRO 23 -10.292 7.917 -3.583 137 HD3 PRO 23 2HD PRO 23 -11.722 8.758 -4.216 138 H HIS 24 H HIS 24 -8.374 9.626 -8.613 139 HA HIS 24 HA HIS 24 -6.013 8.124 -7.759 140 HB2 HIS 24 1HB HIS 24 -5.284 8.511 -10.156 141 HB3 HIS 24 2HB HIS 24 -6.725 7.520 -9.948 142 HD1 HIS 24 1HD HIS 24 -8.973 8.509 -10.749 143 HD2 HIS 24 2HD HIS 24 -5.698 10.981 -11.407 144 HE1 HIS 24 1HE HIS 24 -9.785 10.298 -12.319 145 HE2 HIS 24 2HE HIS 24 -7.765 11.733 -12.770 146 H ASP 25 H ASP 25 -7.140 11.345 -8.247 147 HA ASP 25 HA ASP 25 -4.501 12.516 -8.386 148 HB2 ASP 25 1HB ASP 25 -6.415 13.544 -9.563 149 HB3 ASP 25 2HB ASP 25 -7.194 13.843 -8.012 150 H ARG 26 H ARG 26 -6.900 11.816 -5.963 151 HA ARG 26 HA ARG 26 -5.088 12.919 -3.922 152 HB2 ARG 26 1HB ARG 26 -7.133 13.463 -2.571 153 HB3 ARG 26 2HB ARG 26 -6.926 14.443 -4.016 154 HG2 ARG 26 1HG ARG 26 -8.526 12.891 -5.174 155 HG3 ARG 26 2HG ARG 26 -8.846 12.171 -3.595 156 HD2 ARG 26 1HD ARG 26 -10.520 13.731 -3.683 157 HD3 ARG 26 2HD ARG 26 -9.252 14.671 -2.899 158 HE ARG 26 HE ARG 26 -10.251 15.000 -5.611 159 HH11 ARG 26 2HH1 ARG 26 -7.881 15.851 -3.207 160 HH12 ARG 26 1HH1 ARG 26 -7.400 17.310 -4.009 161 HH21 ARG 26 2HH2 ARG 26 -9.627 16.918 -6.676 162 HH22 ARG 26 1HH2 ARG 26 -8.395 17.916 -5.982 163 H MET 27 H MET 27 -5.447 11.947 -1.746 164 HA MET 27 HA MET 27 -5.817 9.067 -2.041 165 HB2 MET 27 1HB MET 27 -4.733 10.647 0.297 166 HB3 MET 27 2HB MET 27 -4.717 8.896 0.137 167 HG2 MET 27 1HG MET 27 -3.079 8.928 -1.497 168 HG3 MET 27 2HG MET 27 -3.389 10.612 -1.914 169 HE1 MET 27 1HE MET 27 -2.770 8.453 1.095 170 HE2 MET 27 2HE MET 27 -1.086 8.301 0.593 171 HE3 MET 27 3HE MET 27 -1.498 9.254 2.019 172 H THR 28 H THR 28 -6.890 7.894 -0.223 173 HA THR 28 HA THR 28 -9.317 9.348 0.589 174 HB THR 28 HB THR 28 -10.348 7.081 0.841 175 HG1 THR 28 1HG THR 28 -8.670 5.685 1.009 176 HG21 THR 28 1HG2 THR 28 -11.075 7.161 -1.291 177 HG22 THR 28 2HG2 THR 28 -9.445 7.048 -1.955 178 HG23 THR 28 3HG2 THR 28 -10.065 8.602 -1.398 179 H SER 29 H SER 29 -10.354 8.231 2.609 180 HA SER 29 HA SER 29 -8.931 8.880 4.847 181 HB2 SER 29 1HB SER 29 -11.217 7.012 4.370 182 HB3 SER 29 2HB SER 29 -10.466 7.040 5.965 183 HG SER 29 HG SER 29 -12.218 8.755 4.936 184 H GLN 30 H GLN 30 -9.058 5.721 3.253 185 HA GLN 30 HA GLN 30 -7.484 4.345 5.153 186 HB2 GLN 30 1HB GLN 30 -8.400 3.840 2.371 187 HB3 GLN 30 2HB GLN 30 -7.033 2.897 2.950 188 HG2 GLN 30 1HG GLN 30 -9.833 2.974 4.014 189 HG3 GLN 30 2HG GLN 30 -8.924 1.596 3.396 190 HE21 GLN 30 1HE2 GLN 30 -6.578 1.763 4.715 191 HE22 GLN 30 2HE2 GLN 30 -6.824 1.584 6.415 192 H GLU 31 H GLU 31 -6.530 5.214 1.828 193 HA GLU 31 HA GLU 31 -3.865 4.782 1.943 194 HB2 GLU 31 1HB GLU 31 -5.360 7.027 0.601 195 HB3 GLU 31 2HB GLU 31 -3.631 6.793 0.381 196 HG2 GLU 31 1HG GLU 31 -3.908 4.825 -0.788 197 HG3 GLU 31 2HG GLU 31 -5.510 4.530 -0.115 198 H ALA 32 H ALA 32 -5.549 7.614 3.216 199 HA ALA 32 HA ALA 32 -3.244 9.074 3.953 200 HB1 ALA 32 1HB ALA 32 -6.130 9.189 4.719 201 HB2 ALA 32 2HB ALA 32 -4.945 10.156 5.598 202 HB3 ALA 32 3HB ALA 32 -5.148 10.375 3.860 203 H ALA 33 H ALA 33 -5.232 6.708 5.664 204 HA ALA 33 HA ALA 33 -3.900 7.010 8.169 205 HB1 ALA 33 1HB ALA 33 -5.039 4.787 8.664 206 HB2 ALA 33 2HB ALA 33 -6.084 6.156 8.283 207 HB3 ALA 33 3HB ALA 33 -5.759 4.928 7.060 208 H CYS 34 H CYS 34 -3.588 4.769 5.449 209 HA CYS 34 HA CYS 34 -1.632 3.118 6.695 210 HB2 CYS 34 1HB CYS 34 -2.774 3.401 3.962 211 HB3 CYS 34 2HB CYS 34 -1.215 2.599 4.104 212 HG CYS 34 HG CYS 34 -2.095 0.321 4.914 213 H PHE 35 H PHE 35 -1.483 5.856 4.464 214 HA PHE 35 HA PHE 35 1.420 5.988 4.948 215 HB2 PHE 35 1HB PHE 35 0.014 6.989 2.469 216 HB3 PHE 35 2HB PHE 35 1.749 6.854 2.734 217 HD1 PHE 35 2HD PHE 35 -1.325 4.754 2.627 218 HD2 PHE 35 1HD PHE 35 2.865 5.010 1.926 219 HE1 PHE 35 2HE PHE 35 -1.356 2.500 1.640 220 HE2 PHE 35 1HE PHE 35 2.841 2.757 0.937 221 HZ PHE 35 HZ PHE 35 0.729 1.499 0.794 222 HA PRO 36 HA PRO 36 -0.330 9.808 6.765 223 HB2 PRO 36 1HB PRO 36 1.590 10.024 8.671 224 HB3 PRO 36 2HB PRO 36 0.159 9.003 8.860 225 HG2 PRO 36 1HG PRO 36 2.940 8.237 8.059 226 HG3 PRO 36 2HG PRO 36 1.832 7.419 9.176 227 HD2 PRO 36 1HD PRO 36 2.204 6.590 6.625 228 HD3 PRO 36 2HD PRO 36 0.652 6.416 7.469 229 H ASP 37 H ASP 37 3.080 9.059 6.100 230 HA ASP 37 HA ASP 37 3.985 11.718 5.941 231 HB2 ASP 37 1HB ASP 37 5.369 9.565 6.102 232 HB3 ASP 37 2HB ASP 37 5.156 9.436 4.359 233 H ILE 38 H ILE 38 2.551 9.566 3.559 234 HA ILE 38 HA ILE 38 3.072 11.218 1.302 235 HB ILE 38 HB ILE 38 0.962 9.089 1.674 236 HG12 ILE 38 1HG1 ILE 38 3.146 8.129 1.952 237 HG13 ILE 38 2HG1 ILE 38 2.581 7.706 0.339 238 HG21 ILE 38 1HG2 ILE 38 2.010 9.814 -1.000 239 HG22 ILE 38 2HG2 ILE 38 0.409 9.252 -0.523 240 HG23 ILE 38 3HG2 ILE 38 0.874 10.930 -0.245 241 HD11 ILE 38 1HD1 ILE 38 4.549 9.873 1.033 242 HD12 ILE 38 2HD1 ILE 38 4.907 8.322 0.272 243 HD13 ILE 38 3HD1 ILE 38 3.946 9.526 -0.587 244 H ILE 39 H ILE 39 0.103 10.631 3.189 245 HA ILE 39 HA ILE 39 -1.447 12.581 1.863 246 HB ILE 39 HB ILE 39 -2.490 10.798 3.153 247 HG12 ILE 39 1HG1 ILE 39 -4.013 12.304 4.603 248 HG13 ILE 39 2HG1 ILE 39 -3.031 13.635 4.002 249 HG21 ILE 39 1HG2 ILE 39 -1.838 12.112 5.738 250 HG22 ILE 39 2HG2 ILE 39 -2.198 10.423 5.387 251 HG23 ILE 39 3HG2 ILE 39 -0.614 11.088 4.988 252 HD11 ILE 39 1HD1 ILE 39 -4.389 11.699 2.161 253 HD12 ILE 39 2HD1 ILE 39 -5.189 13.146 2.776 254 HD13 ILE 39 3HD1 ILE 39 -3.732 13.293 1.794 255 H SER 40 H SER 40 0.688 12.719 4.643 256 HA SER 40 HA SER 40 -0.041 15.496 5.169 257 HB2 SER 40 1HB SER 40 0.257 13.944 7.077 258 HB3 SER 40 2HB SER 40 1.941 13.714 6.607 259 HG SER 40 HG SER 40 1.769 15.293 8.224 260 H GLY 41 H GLY 41 1.281 14.808 2.681 261 HA2 GLY 41 1HA GLY 41 3.759 16.373 3.053 262 HA3 GLY 41 2HA GLY 41 3.688 14.997 1.962 263 HA PRO 42 HA PRO 42 2.765 18.956 -0.359 264 HB2 PRO 42 1HB PRO 42 4.725 18.649 -2.213 265 HB3 PRO 42 2HB PRO 42 4.983 19.470 -0.669 266 HG2 PRO 42 1HG PRO 42 5.659 16.663 -1.458 267 HG3 PRO 42 2HG PRO 42 6.625 17.829 -0.535 268 HD2 PRO 42 1HD PRO 42 5.226 15.837 0.649 269 HD3 PRO 42 2HD PRO 42 5.487 17.412 1.425 270 H GLN 43 H GLN 43 1.861 19.121 -2.459 271 HA GLN 43 HA GLN 43 0.262 17.095 -3.329 272 HB2 GLN 43 1HB GLN 43 0.471 19.600 -4.085 273 HB3 GLN 43 2HB GLN 43 1.454 18.924 -5.376 274 HG2 GLN 43 1HG GLN 43 -0.357 17.604 -6.171 275 HG3 GLN 43 2HG GLN 43 -1.337 17.996 -4.760 276 HE21 GLN 43 1HE2 GLN 43 -2.925 18.646 -6.351 277 HE22 GLN 43 2HE2 GLN 43 -2.837 20.228 -7.038 278 H GLN 44 H GLN 44 3.445 17.917 -4.704 279 HA GLN 44 HA GLN 44 3.662 16.021 -6.656 280 HB2 GLN 44 1HB GLN 44 5.350 17.822 -5.888 281 HB3 GLN 44 2HB GLN 44 5.978 16.573 -4.821 282 HG2 GLN 44 1HG GLN 44 6.581 15.191 -6.650 283 HG3 GLN 44 2HG GLN 44 5.705 16.211 -7.790 284 HE21 GLN 44 1HE2 GLN 44 8.439 15.443 -7.962 285 HE22 GLN 44 2HE2 GLN 44 9.389 16.883 -7.884 286 H THR 45 H THR 45 4.707 15.574 -3.275 287 HA THR 45 HA THR 45 5.494 12.944 -3.387 288 HB THR 45 HB THR 45 4.038 14.305 -1.112 289 HG1 THR 45 1HG THR 45 6.797 13.857 -1.108 290 HG21 THR 45 1HG2 THR 45 4.550 12.555 0.266 291 HG22 THR 45 2HG2 THR 45 5.967 12.086 -0.675 292 HG23 THR 45 3HG2 THR 45 4.351 11.667 -1.245 293 H GLN 46 H GLN 46 2.247 14.045 -2.387 294 HA GLN 46 HA GLN 46 0.976 11.654 -2.122 295 HB2 GLN 46 1HB GLN 46 -0.092 14.212 -3.319 296 HB3 GLN 46 2HB GLN 46 -1.108 12.842 -2.890 297 HG2 GLN 46 1HG GLN 46 -0.407 13.042 -0.563 298 HG3 GLN 46 2HG GLN 46 0.620 14.410 -0.989 299 HE21 GLN 46 1HE2 GLN 46 -1.222 14.745 0.941 300 HE22 GLN 46 2HE2 GLN 46 -2.519 15.741 0.381 301 H LYS 47 H LYS 47 1.300 13.476 -5.163 302 HA LYS 47 HA LYS 47 -0.019 11.679 -6.830 303 HB2 LYS 47 1HB LYS 47 2.248 13.591 -7.389 304 HB3 LYS 47 2HB LYS 47 1.426 12.684 -8.652 305 HG2 LYS 47 1HG LYS 47 -0.654 13.774 -8.163 306 HG3 LYS 47 2HG LYS 47 0.052 14.579 -6.759 307 HD2 LYS 47 1HD LYS 47 -0.022 16.165 -8.541 308 HD3 LYS 47 2HD LYS 47 1.665 15.693 -8.320 309 HE2 LYS 47 1HE LYS 47 1.257 15.721 -10.658 310 HE3 LYS 47 2HE LYS 47 1.332 14.028 -10.173 311 HZ1 LYS 47 1HZ LYS 47 -0.999 15.619 -10.998 312 HZ2 LYS 47 2HZ LYS 47 -1.221 14.297 -9.968 313 HZ3 LYS 47 3HZ LYS 47 -0.528 14.072 -11.495 314 H VAL 48 H VAL 48 3.431 11.859 -5.999 315 HA VAL 48 HA VAL 48 4.456 9.879 -7.594 316 HB VAL 48 HB VAL 48 5.187 10.461 -4.721 317 HG11 VAL 48 1HG1 VAL 48 6.419 8.600 -4.887 318 HG12 VAL 48 2HG1 VAL 48 6.206 8.504 -6.636 319 HG13 VAL 48 3HG1 VAL 48 7.454 9.548 -5.955 320 HG21 VAL 48 1HG2 VAL 48 5.335 12.181 -6.774 321 HG22 VAL 48 2HG2 VAL 48 6.505 12.151 -5.454 322 HG23 VAL 48 3HG2 VAL 48 6.875 11.347 -6.980 323 H PHE 49 H PHE 49 2.782 9.502 -4.497 324 HA PHE 49 HA PHE 49 3.081 6.640 -4.496 325 HB2 PHE 49 1HB PHE 49 2.943 7.393 -2.325 326 HB3 PHE 49 2HB PHE 49 1.788 8.659 -2.725 327 HD1 PHE 49 1HD PHE 49 -0.599 7.950 -3.277 328 HD2 PHE 49 2HD PHE 49 2.229 5.390 -1.390 329 HE1 PHE 49 1HE PHE 49 -2.436 6.538 -2.448 330 HE2 PHE 49 2HE PHE 49 0.397 3.973 -0.559 331 HZ PHE 49 HZ PHE 49 -1.939 4.546 -1.088 332 H LEU 50 H LEU 50 0.528 8.953 -5.251 333 HA LEU 50 HA LEU 50 -1.547 7.074 -5.614 334 HB2 LEU 50 1HB LEU 50 -1.079 9.905 -6.383 335 HB3 LEU 50 2HB LEU 50 -2.374 9.031 -7.197 336 HG LEU 50 HG LEU 50 -2.178 9.294 -4.202 337 HD11 LEU 50 1HD1 LEU 50 -4.081 10.874 -5.871 338 HD12 LEU 50 2HD1 LEU 50 -2.440 11.465 -5.614 339 HD13 LEU 50 3HD1 LEU 50 -3.500 11.178 -4.234 340 HD21 LEU 50 1HD2 LEU 50 -4.709 8.836 -5.678 341 HD22 LEU 50 2HD2 LEU 50 -4.199 8.256 -4.092 342 HD23 LEU 50 3HD2 LEU 50 -3.580 7.488 -5.554 343 H PHE 51 H PHE 51 1.237 7.627 -7.403 344 HA PHE 51 HA PHE 51 0.059 6.747 -9.929 345 HB2 PHE 51 1HB PHE 51 1.599 8.599 -10.113 346 HB3 PHE 51 2HB PHE 51 2.838 7.711 -9.231 347 HD1 PHE 51 1HD PHE 51 3.503 5.399 -10.320 348 HD2 PHE 51 2HD PHE 51 1.721 8.656 -12.403 349 HE1 PHE 51 1HE PHE 51 4.387 4.522 -12.442 350 HE2 PHE 51 2HE PHE 51 2.602 7.784 -14.528 351 HZ PHE 51 HZ PHE 51 3.936 5.714 -14.550 352 H ILE 52 H ILE 52 2.413 5.738 -7.500 353 HA ILE 52 HA ILE 52 3.358 3.434 -8.779 354 HB ILE 52 HB ILE 52 3.060 3.950 -5.818 355 HG12 ILE 52 1HG1 ILE 52 5.655 4.104 -7.282 356 HG13 ILE 52 2HG1 ILE 52 4.524 5.442 -7.459 357 HG21 ILE 52 1HG2 ILE 52 5.235 2.224 -6.483 358 HG22 ILE 52 2HG2 ILE 52 3.847 1.910 -5.443 359 HG23 ILE 52 3HG2 ILE 52 3.747 1.575 -7.171 360 HD11 ILE 52 1HD1 ILE 52 5.305 6.280 -5.573 361 HD12 ILE 52 2HD1 ILE 52 4.656 4.882 -4.715 362 HD13 ILE 52 3HD1 ILE 52 6.314 4.857 -5.315 363 H ARG 53 H ARG 53 0.581 3.927 -6.644 364 HA ARG 53 HA ARG 53 -0.151 1.204 -6.438 365 HB2 ARG 53 1HB ARG 53 -1.127 2.518 -4.801 366 HB3 ARG 53 2HB ARG 53 -1.522 3.810 -5.926 367 HG2 ARG 53 1HG ARG 53 -3.245 2.299 -6.926 368 HG3 ARG 53 2HG ARG 53 -2.925 1.171 -5.606 369 HD2 ARG 53 1HD ARG 53 -3.899 2.515 -4.038 370 HD3 ARG 53 2HD ARG 53 -3.503 3.997 -4.906 371 HE ARG 53 HE ARG 53 -5.860 2.353 -5.241 372 HH11 ARG 53 2HH1 ARG 53 -3.846 4.867 -6.560 373 HH12 ARG 53 1HH1 ARG 53 -5.093 5.515 -7.574 374 HH21 ARG 53 2HH2 ARG 53 -7.511 3.197 -6.571 375 HH22 ARG 53 1HH2 ARG 53 -7.177 4.565 -7.578 376 H ASN 54 H ASN 54 -1.297 3.819 -8.556 377 HA ASN 54 HA ASN 54 -3.211 2.307 -9.948 378 HB2 ASN 54 1HB ASN 54 -1.770 4.869 -10.428 379 HB3 ASN 54 2HB ASN 54 -2.580 4.122 -11.802 380 HD21 ASN 54 1HD2 ASN 54 -3.227 6.610 -10.566 381 HD22 ASN 54 2HD2 ASN 54 -4.838 6.476 -9.957 382 H ARG 55 H ARG 55 0.201 2.973 -10.656 383 HA ARG 55 HA ARG 55 0.287 1.605 -13.121 384 HB2 ARG 55 1HB ARG 55 2.018 3.184 -12.540 385 HB3 ARG 55 2HB ARG 55 2.467 2.236 -11.128 386 HG2 ARG 55 1HG ARG 55 4.104 1.792 -12.752 387 HG3 ARG 55 2HG ARG 55 3.057 0.372 -12.728 388 HD2 ARG 55 1HD ARG 55 3.213 0.716 -14.983 389 HD3 ARG 55 2HD ARG 55 1.790 1.692 -14.621 390 HE ARG 55 HE ARG 55 3.974 3.369 -14.374 391 HH11 ARG 55 2HH1 ARG 55 2.481 1.456 -16.871 392 HH12 ARG 55 1HH1 ARG 55 2.982 2.506 -18.155 393 HH21 ARG 55 2HH2 ARG 55 4.640 4.757 -16.056 394 HH22 ARG 55 1HH2 ARG 55 4.211 4.382 -17.691 395 H THR 56 H THR 56 0.901 0.570 -9.799 396 HA THR 56 HA THR 56 1.959 -1.950 -10.269 397 HB THR 56 HB THR 56 0.151 -1.033 -8.028 398 HG1 THR 56 1HG THR 56 2.574 -0.363 -8.569 399 HG21 THR 56 1HG2 THR 56 1.918 -3.474 -8.021 400 HG22 THR 56 2HG2 THR 56 0.195 -3.538 -8.394 401 HG23 THR 56 3HG2 THR 56 0.734 -2.985 -6.809 402 H LEU 57 H LEU 57 -1.460 -1.031 -9.896 403 HA LEU 57 HA LEU 57 -2.501 -3.624 -10.287 404 HB2 LEU 57 1HB LEU 57 -3.608 -0.859 -10.395 405 HB3 LEU 57 2HB LEU 57 -4.578 -2.190 -11.021 406 HG LEU 57 HG LEU 57 -3.452 -2.422 -8.273 407 HD11 LEU 57 1HD1 LEU 57 -5.454 -0.433 -9.153 408 HD12 LEU 57 2HD1 LEU 57 -4.343 -0.400 -7.785 409 HD13 LEU 57 3HD1 LEU 57 -5.826 -1.349 -7.693 410 HD21 LEU 57 1HD2 LEU 57 -5.562 -3.623 -7.913 411 HD22 LEU 57 2HD2 LEU 57 -4.638 -4.301 -9.254 412 HD23 LEU 57 3HD2 LEU 57 -6.036 -3.273 -9.575 413 H GLN 58 H GLN 58 -1.868 -0.950 -12.514 414 HA GLN 58 HA GLN 58 -3.072 -1.822 -14.808 415 HB2 GLN 58 1HB GLN 58 -0.484 -0.373 -14.346 416 HB3 GLN 58 2HB GLN 58 -0.998 -0.783 -15.977 417 HG2 GLN 58 1HG GLN 58 -2.812 0.696 -14.113 418 HG3 GLN 58 2HG GLN 58 -1.574 1.536 -15.047 419 HE21 GLN 58 1HE2 GLN 58 -1.583 0.883 -17.436 420 HE22 GLN 58 2HE2 GLN 58 -3.135 0.837 -18.194 421 H LEU 59 H LEU 59 0.330 -2.529 -13.984 422 HA LEU 59 HA LEU 59 0.851 -4.339 -15.999 423 HB2 LEU 59 1HB LEU 59 1.906 -4.523 -13.184 424 HB3 LEU 59 2HB LEU 59 2.659 -5.166 -14.642 425 HG LEU 59 HG LEU 59 2.198 -2.221 -14.346 426 HD11 LEU 59 1HD1 LEU 59 3.426 -3.258 -12.334 427 HD12 LEU 59 2HD1 LEU 59 4.168 -1.889 -13.161 428 HD13 LEU 59 3HD1 LEU 59 4.747 -3.526 -13.471 429 HD21 LEU 59 1HD2 LEU 59 3.038 -3.649 -16.442 430 HD22 LEU 59 2HD2 LEU 59 4.584 -3.415 -15.626 431 HD23 LEU 59 3HD2 LEU 59 3.617 -2.018 -16.101 432 H TRP 60 H TRP 60 -0.652 -4.903 -12.855 433 HA TRP 60 HA TRP 60 -0.760 -7.730 -13.079 434 HB2 TRP 60 1HB TRP 60 -1.025 -7.082 -10.889 435 HB3 TRP 60 2HB TRP 60 -1.999 -5.677 -11.310 436 HD1 TRP 60 HD TRP 60 -4.627 -6.021 -11.529 437 HE1 TRP 60 1HE TRP 60 -6.198 -7.916 -10.776 438 HE3 TRP 60 3HE TRP 60 -1.142 -9.646 -10.603 439 HZ2 TRP 60 2HZ TRP 60 -5.988 -10.592 -9.904 440 HZ3 TRP 60 3HZ TRP 60 -1.910 -11.845 -9.811 441 HH2 TRP 60 HH TRP 60 -4.283 -12.306 -9.469 442 H LEU 61 H LEU 61 -2.875 -5.129 -14.095 443 HA LEU 61 HA LEU 61 -5.110 -6.796 -14.709 444 HB2 LEU 61 1HB LEU 61 -4.354 -3.963 -15.153 445 HB3 LEU 61 2HB LEU 61 -5.594 -4.646 -16.205 446 HG LEU 61 HG LEU 61 -5.732 -4.561 -13.191 447 HD11 LEU 61 1HD1 LEU 61 -7.206 -2.887 -15.217 448 HD12 LEU 61 2HD1 LEU 61 -5.844 -2.329 -14.248 449 HD13 LEU 61 3HD1 LEU 61 -7.351 -2.799 -13.462 450 HD21 LEU 61 1HD2 LEU 61 -7.287 -6.130 -13.471 451 HD22 LEU 61 2HD2 LEU 61 -7.251 -5.959 -15.226 452 HD23 LEU 61 3HD2 LEU 61 -8.266 -4.890 -14.256 453 H ASP 62 H ASP 62 -2.252 -5.768 -16.408 454 HA ASP 62 HA ASP 62 -3.238 -6.665 -18.983 455 HB2 ASP 62 1HB ASP 62 -0.713 -5.386 -18.003 456 HB3 ASP 62 2HB ASP 62 -0.719 -6.202 -19.564 457 H ASN 63 H ASN 63 -1.227 -7.839 -16.384 458 HA ASN 63 HA ASN 63 -1.034 -10.420 -17.771 459 HB2 ASN 63 1HB ASN 63 1.133 -8.883 -17.687 460 HB3 ASN 63 2HB ASN 63 1.261 -9.564 -16.068 461 HD21 ASN 63 1HD2 ASN 63 0.851 -12.029 -16.067 462 HD22 ASN 63 2HD2 ASN 63 1.718 -12.915 -17.270 463 HA PRO 64 HA PRO 64 -2.519 -10.571 -13.284 464 HB2 PRO 64 1HB PRO 64 -5.030 -11.463 -13.804 465 HB3 PRO 64 2HB PRO 64 -4.620 -9.746 -13.712 466 HG2 PRO 64 1HG PRO 64 -4.955 -11.487 -16.124 467 HG3 PRO 64 2HG PRO 64 -5.529 -9.832 -15.851 468 HD2 PRO 64 1HD PRO 64 -3.310 -10.383 -17.301 469 HD3 PRO 64 2HD PRO 64 -3.474 -8.905 -16.331 470 H LYS 65 H LYS 65 -1.798 -12.547 -15.824 471 HA LYS 65 HA LYS 65 -2.752 -15.040 -14.719 472 HB2 LYS 65 1HB LYS 65 -1.470 -16.063 -16.586 473 HB3 LYS 65 2HB LYS 65 -2.626 -14.851 -17.121 474 HG2 LYS 65 1HG LYS 65 -1.008 -13.402 -17.800 475 HG3 LYS 65 2HG LYS 65 0.160 -13.971 -16.605 476 HD2 LYS 65 1HD LYS 65 -0.005 -16.186 -18.056 477 HD3 LYS 65 2HD LYS 65 -0.475 -15.033 -19.307 478 HE2 LYS 65 1HE LYS 65 1.570 -13.803 -19.013 479 HE3 LYS 65 2HE LYS 65 2.016 -14.794 -17.625 480 HZ1 LYS 65 1HZ LYS 65 2.068 -15.468 -20.481 481 HZ2 LYS 65 2HZ LYS 65 1.814 -16.708 -19.359 482 HZ3 LYS 65 3HZ LYS 65 3.223 -15.774 -19.282 483 H ILE 66 H ILE 66 -0.301 -12.995 -13.915 484 HA ILE 66 HA ILE 66 1.217 -15.179 -12.669 485 HB ILE 66 HB ILE 66 3.324 -14.221 -13.185 486 HG12 ILE 66 1HG1 ILE 66 1.814 -11.916 -14.437 487 HG13 ILE 66 2HG1 ILE 66 2.707 -11.859 -12.922 488 HG21 ILE 66 1HG2 ILE 66 1.442 -14.810 -15.326 489 HG22 ILE 66 2HG2 ILE 66 2.803 -13.821 -15.855 490 HG23 ILE 66 3HG2 ILE 66 3.093 -15.379 -15.080 491 HD11 ILE 66 1HD1 ILE 66 4.563 -11.359 -14.006 492 HD12 ILE 66 2HD1 ILE 66 4.424 -12.818 -14.987 493 HD13 ILE 66 3HD1 ILE 66 3.645 -11.326 -15.512 494 H GLN 67 H GLN 67 2.124 -14.709 -10.666 495 HA GLN 67 HA GLN 67 0.762 -12.791 -9.101 496 HB2 GLN 67 1HB GLN 67 1.957 -13.628 -7.275 497 HB3 GLN 67 2HB GLN 67 1.857 -15.003 -8.367 498 HG2 GLN 67 1HG GLN 67 4.226 -13.181 -8.010 499 HG3 GLN 67 2HG GLN 67 4.068 -14.828 -7.401 500 HE21 GLN 67 1HE2 GLN 67 5.398 -13.013 -9.765 501 HE22 GLN 67 2HE2 GLN 67 5.574 -14.209 -11.000 502 H LEU 68 H LEU 68 1.266 -10.760 -8.509 503 HA LEU 68 HA LEU 68 3.597 -9.538 -9.774 504 HB2 LEU 68 1HB LEU 68 1.192 -8.629 -9.879 505 HB3 LEU 68 2HB LEU 68 1.481 -8.081 -8.229 506 HG LEU 68 HG LEU 68 3.361 -6.710 -9.037 507 HD11 LEU 68 1HD1 LEU 68 4.191 -7.710 -10.945 508 HD12 LEU 68 2HD1 LEU 68 3.300 -6.339 -11.605 509 HD13 LEU 68 3HD1 LEU 68 2.590 -7.953 -11.643 510 HD21 LEU 68 1HD2 LEU 68 0.555 -6.342 -9.715 511 HD22 LEU 68 2HD2 LEU 68 1.640 -5.408 -10.745 512 HD23 LEU 68 3HD2 LEU 68 1.704 -5.216 -8.992 513 H THR 69 H THR 69 5.383 -9.797 -8.569 514 HA THR 69 HA THR 69 5.267 -9.609 -5.674 515 HB THR 69 HB THR 69 7.630 -10.195 -5.703 516 HG1 THR 69 1HG THR 69 7.460 -10.215 -8.545 517 HG21 THR 69 1HG2 THR 69 6.120 -12.056 -5.832 518 HG22 THR 69 2HG2 THR 69 7.475 -12.380 -6.914 519 HG23 THR 69 3HG2 THR 69 5.929 -11.844 -7.571 520 H PHE 70 H PHE 70 6.960 -8.270 -4.553 521 HA PHE 70 HA PHE 70 6.587 -5.558 -5.121 522 HB2 PHE 70 1HB PHE 70 7.135 -5.974 -2.902 523 HB3 PHE 70 2HB PHE 70 8.439 -7.079 -3.324 524 HD1 PHE 70 2HD PHE 70 7.468 -3.527 -3.135 525 HD2 PHE 70 1HD PHE 70 10.653 -6.309 -3.626 526 HE1 PHE 70 2HE PHE 70 9.098 -1.709 -2.837 527 HE2 PHE 70 1HE PHE 70 12.288 -4.494 -3.328 528 HZ PHE 70 HZ PHE 70 11.511 -2.191 -2.934 529 H GLU 71 H GLU 71 9.335 -7.693 -5.796 530 HA GLU 71 HA GLU 71 11.086 -5.780 -6.828 531 HB2 GLU 71 1HB GLU 71 10.775 -8.730 -7.149 532 HB3 GLU 71 2HB GLU 71 11.858 -7.883 -8.245 533 HG2 GLU 71 1HG GLU 71 12.059 -7.602 -5.266 534 HG3 GLU 71 2HG GLU 71 12.876 -8.888 -6.152 535 H ALA 72 H ALA 72 8.904 -7.956 -8.626 536 HA ALA 72 HA ALA 72 9.341 -7.046 -11.177 537 HB1 ALA 72 1HB ALA 72 6.593 -7.499 -11.083 538 HB2 ALA 72 2HB ALA 72 7.853 -8.667 -11.483 539 HB3 ALA 72 3HB ALA 72 7.273 -8.529 -9.823 540 H THR 73 H THR 73 6.709 -5.898 -9.054 541 HA THR 73 HA THR 73 5.746 -3.858 -10.619 542 HB THR 73 HB THR 73 6.013 -3.787 -7.607 543 HG1 THR 73 1HG THR 73 4.892 -5.640 -8.329 544 HG21 THR 73 1HG2 THR 73 4.921 -1.917 -9.499 545 HG22 THR 73 2HG2 THR 73 5.054 -1.780 -7.746 546 HG23 THR 73 3HG2 THR 73 3.642 -2.553 -8.466 547 H LEU 74 H LEU 74 8.492 -3.768 -8.388 548 HA LEU 74 HA LEU 74 9.017 -1.007 -8.609 549 HB2 LEU 74 1HB LEU 74 10.028 -2.047 -6.798 550 HB3 LEU 74 2HB LEU 74 10.619 -3.389 -7.775 551 HG LEU 74 HG LEU 74 12.138 -1.575 -8.865 552 HD11 LEU 74 1HD1 LEU 74 12.125 -0.266 -6.223 553 HD12 LEU 74 2HD1 LEU 74 10.776 0.121 -7.291 554 HD13 LEU 74 3HD1 LEU 74 12.433 0.404 -7.825 555 HD21 LEU 74 1HD2 LEU 74 13.705 -2.707 -7.775 556 HD22 LEU 74 2HD2 LEU 74 12.440 -3.415 -6.770 557 HD23 LEU 74 3HD2 LEU 74 13.260 -1.942 -6.250 558 H GLN 75 H GLN 75 10.625 -3.775 -10.185 559 HA GLN 75 HA GLN 75 12.369 -2.391 -11.808 560 HB2 GLN 75 1HB GLN 75 10.880 -4.957 -12.378 561 HB3 GLN 75 2HB GLN 75 12.222 -4.363 -13.347 562 HG2 GLN 75 1HG GLN 75 13.458 -4.323 -11.034 563 HG3 GLN 75 2HG GLN 75 12.220 -5.501 -10.601 564 HE21 GLN 75 1HE2 GLN 75 14.623 -4.789 -13.100 565 HE22 GLN 75 2HE2 GLN 75 15.035 -6.436 -13.419 566 H GLN 76 H GLN 76 9.068 -3.446 -12.644 567 HA GLN 76 HA GLN 76 9.016 -2.226 -15.181 568 HB2 GLN 76 1HB GLN 76 6.725 -2.918 -13.334 569 HB3 GLN 76 2HB GLN 76 6.562 -2.504 -15.036 570 HG2 GLN 76 1HG GLN 76 7.598 -4.479 -15.735 571 HG3 GLN 76 2HG GLN 76 8.263 -4.799 -14.134 572 HE21 GLN 76 1HE2 GLN 76 6.749 -5.356 -12.436 573 HE22 GLN 76 2HE2 GLN 76 5.300 -6.205 -12.840 574 H LEU 77 H LEU 77 8.314 -1.030 -11.970 575 HA LEU 77 HA LEU 77 6.927 1.309 -12.669 576 HB2 LEU 77 1HB LEU 77 8.390 0.317 -10.305 577 HB3 LEU 77 2HB LEU 77 8.188 2.064 -10.416 578 HG LEU 77 HG LEU 77 5.824 0.245 -10.684 579 HD11 LEU 77 1HD1 LEU 77 6.834 1.313 -8.060 580 HD12 LEU 77 2HD1 LEU 77 7.113 -0.339 -8.609 581 HD13 LEU 77 3HD1 LEU 77 5.467 0.234 -8.340 582 HD21 LEU 77 1HD2 LEU 77 4.833 2.218 -10.931 583 HD22 LEU 77 2HD2 LEU 77 6.323 3.079 -10.545 584 HD23 LEU 77 3HD2 LEU 77 5.239 2.567 -9.251 585 H GLU 78 H GLU 78 7.647 3.492 -12.763 586 HA GLU 78 HA GLU 78 10.463 3.768 -13.589 587 HB2 GLU 78 1HB GLU 78 9.740 5.558 -15.105 588 HB3 GLU 78 2HB GLU 78 8.949 4.034 -15.484 589 HG2 GLU 78 1HG GLU 78 6.940 4.791 -14.309 590 HG3 GLU 78 2HG GLU 78 7.733 6.326 -13.959 591 H ALA 79 H ALA 79 11.641 4.987 -12.285 592 HA ALA 79 HA ALA 79 10.797 6.282 -10.021 593 HB1 ALA 79 1HB ALA 79 13.222 5.962 -11.366 594 HB2 ALA 79 2HB ALA 79 13.034 7.703 -11.149 595 HB3 ALA 79 3HB ALA 79 12.975 6.628 -9.752 596 HA PRO 80 HA PRO 80 11.987 8.272 -9.010 597 HB2 PRO 80 1HB PRO 80 10.570 9.880 -7.344 598 HB3 PRO 80 2HB PRO 80 11.815 10.491 -8.440 599 HG2 PRO 80 1HG PRO 80 8.840 10.481 -8.772 600 HG3 PRO 80 2HG PRO 80 10.002 11.770 -9.134 601 HD2 PRO 80 1HD PRO 80 8.972 10.156 -11.049 602 HD3 PRO 80 2HD PRO 80 10.614 10.825 -11.146 603 H TYR 81 H TYR 81 8.792 7.567 -9.823 604 HA TYR 81 HA TYR 81 7.517 6.762 -7.551 605 HB2 TYR 81 1HB TYR 81 7.557 5.060 -10.041 606 HB3 TYR 81 2HB TYR 81 6.246 5.253 -8.883 607 HD1 TYR 81 1HD TYR 81 6.286 8.242 -8.618 608 HD2 TYR 81 2HD TYR 81 6.526 5.731 -12.044 609 HE1 TYR 81 1HE TYR 81 5.331 10.042 -9.996 610 HE2 TYR 81 2HE TYR 81 5.574 7.524 -13.432 611 HH TYR 81 HH TYR 81 3.918 9.749 -12.680 612 H ASN 82 H ASN 82 9.793 4.782 -9.446 613 HA ASN 82 HA ASN 82 9.800 2.661 -7.521 614 HB2 ASN 82 1HB ASN 82 11.232 1.532 -8.975 615 HB3 ASN 82 2HB ASN 82 10.307 2.555 -10.070 616 HD21 ASN 82 1HD2 ASN 82 11.550 3.307 -11.612 617 HD22 ASN 82 2HD2 ASN 82 13.170 3.880 -11.431 618 H SER 83 H SER 83 11.891 5.395 -8.268 619 HA SER 83 HA SER 83 14.203 4.969 -7.015 620 HB2 SER 83 1HB SER 83 13.595 7.157 -7.928 621 HB3 SER 83 2HB SER 83 12.481 7.424 -6.587 622 HG SER 83 HG SER 83 14.253 8.395 -5.866 623 H ASP 84 H ASP 84 11.237 5.873 -5.266 624 HA ASP 84 HA ASP 84 12.498 5.338 -2.712 625 HB2 ASP 84 1HB ASP 84 10.666 7.146 -3.345 626 HB3 ASP 84 2HB ASP 84 9.563 5.826 -2.967 627 H THR 85 H THR 85 12.943 3.098 -2.959 628 HA THR 85 HA THR 85 11.145 1.103 -3.637 629 HB THR 85 HB THR 85 12.556 -0.381 -2.108 630 HG1 THR 85 1HG THR 85 13.501 0.904 -0.651 631 HG21 THR 85 1HG2 THR 85 13.817 1.294 -4.276 632 HG22 THR 85 2HG2 THR 85 13.060 -0.290 -4.440 633 HG23 THR 85 3HG2 THR 85 14.586 -0.127 -3.571 634 H VAL 86 H VAL 86 11.847 2.433 -0.413 635 HA VAL 86 HA VAL 86 10.290 0.853 1.178 636 HB VAL 86 HB VAL 86 11.714 2.884 1.836 637 HG11 VAL 86 1HG1 VAL 86 9.075 4.240 1.307 638 HG12 VAL 86 2HG1 VAL 86 10.391 4.950 2.244 639 HG13 VAL 86 3HG1 VAL 86 10.622 4.582 0.535 640 HG21 VAL 86 1HG2 VAL 86 9.073 2.280 3.152 641 HG22 VAL 86 2HG2 VAL 86 10.644 1.565 3.512 642 HG23 VAL 86 3HG2 VAL 86 10.337 3.258 3.897 643 H LEU 87 H LEU 87 9.221 3.507 -0.889 644 HA LEU 87 HA LEU 87 6.519 3.487 -0.002 645 HB2 LEU 87 1HB LEU 87 7.863 5.297 -1.299 646 HB3 LEU 87 2HB LEU 87 7.343 4.404 -2.727 647 HG LEU 87 HG LEU 87 4.995 4.786 -2.078 648 HD11 LEU 87 1HD1 LEU 87 6.220 6.429 0.130 649 HD12 LEU 87 2HD1 LEU 87 5.231 4.981 0.311 650 HD13 LEU 87 3HD1 LEU 87 4.517 6.461 -0.327 651 HD21 LEU 87 1HD2 LEU 87 5.239 6.488 -3.483 652 HD22 LEU 87 2HD2 LEU 87 6.900 6.756 -2.956 653 HD23 LEU 87 3HD2 LEU 87 5.566 7.520 -2.091 654 H VAL 88 H VAL 88 8.167 2.090 -2.821 655 HA VAL 88 HA VAL 88 5.930 0.977 -4.070 656 HB VAL 88 HB VAL 88 8.770 -0.056 -4.055 657 HG11 VAL 88 1HG1 VAL 88 7.289 -0.600 -6.455 658 HG12 VAL 88 2HG1 VAL 88 8.124 -1.721 -5.377 659 HG13 VAL 88 3HG1 VAL 88 6.449 -1.269 -5.057 660 HG21 VAL 88 1HG2 VAL 88 8.261 1.135 -6.490 661 HG22 VAL 88 2HG2 VAL 88 7.473 2.211 -5.336 662 HG23 VAL 88 3HG2 VAL 88 9.188 1.837 -5.164 663 H HIS 89 H HIS 89 7.896 -0.187 -1.408 664 HA HIS 89 HA HIS 89 6.819 -2.830 -1.383 665 HB2 HIS 89 1HB HIS 89 9.031 -2.050 -0.365 666 HB3 HIS 89 2HB HIS 89 8.071 -1.422 0.972 667 HD1 HIS 89 1HD HIS 89 6.343 -3.448 1.949 668 HD2 HIS 89 2HD HIS 89 9.934 -4.530 0.162 669 HE1 HIS 89 1HE HIS 89 6.827 -5.776 2.769 670 HE2 HIS 89 2HE HIS 89 9.047 -6.377 1.741 671 H ARG 90 H ARG 90 6.036 0.190 0.250 672 HA ARG 90 HA ARG 90 4.105 -0.957 2.013 673 HB2 ARG 90 1HB ARG 90 4.625 1.890 1.150 674 HB3 ARG 90 2HB ARG 90 3.413 1.445 2.345 675 HG2 ARG 90 1HG ARG 90 5.018 0.756 3.892 676 HG3 ARG 90 2HG ARG 90 6.281 0.644 2.665 677 HD2 ARG 90 1HD ARG 90 6.829 2.609 3.752 678 HD3 ARG 90 2HD ARG 90 5.881 3.191 2.385 679 HE ARG 90 HE ARG 90 4.214 3.843 3.841 680 HH11 ARG 90 2HH1 ARG 90 6.608 1.954 5.522 681 HH12 ARG 90 1HH1 ARG 90 5.999 2.345 7.096 682 HH21 ARG 90 2HH2 ARG 90 3.404 4.364 5.909 683 HH22 ARG 90 1HH2 ARG 90 4.176 3.715 7.315 684 H VAL 91 H VAL 91 3.864 0.943 -0.987 685 HA VAL 91 HA VAL 91 1.085 0.996 -1.191 686 HB VAL 91 HB VAL 91 3.154 0.966 -3.390 687 HG11 VAL 91 1HG1 VAL 91 0.739 2.292 -4.129 688 HG12 VAL 91 2HG1 VAL 91 1.522 0.908 -4.893 689 HG13 VAL 91 3HG1 VAL 91 0.354 0.657 -3.595 690 HG21 VAL 91 1HG2 VAL 91 2.658 3.416 -3.430 691 HG22 VAL 91 2HG2 VAL 91 1.713 3.193 -1.958 692 HG23 VAL 91 3HG2 VAL 91 3.444 2.857 -1.953 693 H HIS 92 H HIS 92 3.335 -1.227 -2.846 694 HA HIS 92 HA HIS 92 1.471 -2.884 -4.031 695 HB2 HIS 92 1HB HIS 92 3.969 -2.932 -4.363 696 HB3 HIS 92 2HB HIS 92 4.088 -3.829 -2.852 697 HD1 HIS 92 1HD HIS 92 3.002 -6.248 -2.847 698 HD2 HIS 92 2HD HIS 92 3.293 -4.427 -6.570 699 HE1 HIS 92 1HE HIS 92 2.670 -8.092 -4.524 700 HE2 HIS 92 2HE HIS 92 2.935 -6.981 -6.770 701 H SER 93 H SER 93 2.528 -2.772 -0.707 702 HA SER 93 HA SER 93 1.509 -5.294 0.091 703 HB2 SER 93 1HB SER 93 3.169 -4.125 1.442 704 HB3 SER 93 2HB SER 93 2.043 -2.796 1.717 705 HG SER 93 HG SER 93 2.311 -4.711 3.310 706 H TYR 94 H TYR 94 0.237 -2.018 0.717 707 HA TYR 94 HA TYR 94 -2.161 -2.652 1.855 708 HB2 TYR 94 1HB TYR 94 -1.826 -0.381 1.808 709 HB3 TYR 94 2HB TYR 94 -1.238 -0.392 0.149 710 HD1 TYR 94 2HD TYR 94 -2.862 -0.500 -1.732 711 HD2 TYR 94 1HD TYR 94 -4.129 -0.022 2.302 712 HE1 TYR 94 2HE TYR 94 -5.061 0.268 -2.520 713 HE2 TYR 94 1HE TYR 94 -6.333 0.746 1.524 714 HH TYR 94 HH TYR 94 -7.680 0.248 -0.967 715 H LEU 95 H LEU 95 -1.335 -2.723 -1.565 716 HA LEU 95 HA LEU 95 -3.974 -3.187 -2.510 717 HB2 LEU 95 1HB LEU 95 -1.257 -3.641 -3.714 718 HB3 LEU 95 2HB LEU 95 -2.751 -4.010 -4.573 719 HG LEU 95 HG LEU 95 -2.123 -1.261 -3.523 720 HD11 LEU 95 1HD1 LEU 95 -0.473 -2.339 -5.259 721 HD12 LEU 95 2HD1 LEU 95 -1.030 -0.677 -5.445 722 HD13 LEU 95 3HD1 LEU 95 -1.772 -1.966 -6.392 723 HD21 LEU 95 1HD2 LEU 95 -3.798 -0.566 -5.131 724 HD22 LEU 95 2HD2 LEU 95 -4.472 -1.777 -4.040 725 HD23 LEU 95 3HD2 LEU 95 -3.998 -2.231 -5.678 726 H GLU 96 H GLU 96 -1.191 -5.422 -2.463 727 HA GLU 96 HA GLU 96 -2.624 -7.747 -2.957 728 HB2 GLU 96 1HB GLU 96 -0.205 -7.687 -3.109 729 HB3 GLU 96 2HB GLU 96 -0.071 -7.372 -1.385 730 HG2 GLU 96 1HG GLU 96 -1.051 -9.576 -0.924 731 HG3 GLU 96 2HG GLU 96 -1.116 -9.891 -2.657 732 H ARG 97 H ARG 97 -1.455 -6.604 0.216 733 HA ARG 97 HA ARG 97 -2.532 -8.465 1.870 734 HB2 ARG 97 1HB ARG 97 -2.382 -5.476 2.264 735 HB3 ARG 97 2HB ARG 97 -2.820 -6.595 3.548 736 HG2 ARG 97 1HG ARG 97 -0.285 -7.044 2.054 737 HG3 ARG 97 2HG ARG 97 -0.356 -5.762 3.265 738 HD2 ARG 97 1HD ARG 97 -0.816 -7.270 4.997 739 HD3 ARG 97 2HD ARG 97 -1.283 -8.549 3.877 740 HE ARG 97 HE ARG 97 1.400 -7.835 4.693 741 HH11 ARG 97 2HH1 ARG 97 -0.599 -9.536 2.406 742 HH12 ARG 97 1HH1 ARG 97 0.665 -10.608 1.901 743 HH21 ARG 97 2HH2 ARG 97 3.072 -9.241 4.036 744 HH22 ARG 97 1HH2 ARG 97 2.752 -10.440 2.829 745 H HIS 98 H HIS 98 -4.237 -5.544 0.746 746 HA HIS 98 HA HIS 98 -6.697 -6.122 1.962 747 HB2 HIS 98 1HB HIS 98 -5.983 -4.461 -0.453 748 HB3 HIS 98 2HB HIS 98 -7.628 -4.571 0.166 749 HD1 HIS 98 1HD HIS 98 -7.926 -2.258 1.080 750 HD2 HIS 98 2HD HIS 98 -4.433 -4.064 2.423 751 HE1 HIS 98 1HE HIS 98 -7.003 -0.714 2.838 752 HE2 HIS 98 2HE HIS 98 -4.846 -1.785 3.575 753 H GLY 99 H GLY 99 -5.378 -7.020 -1.187 754 HA2 GLY 99 1HA GLY 99 -6.014 -9.173 -2.114 755 HA3 GLY 99 2HA GLY 99 -7.631 -8.904 -1.480 756 H LEU 100 H LEU 100 -5.692 -6.506 -3.174 757 HA LEU 100 HA LEU 100 -7.778 -6.381 -5.230 758 HB2 LEU 100 1HB LEU 100 -5.579 -4.378 -4.888 759 HB3 LEU 100 2HB LEU 100 -7.169 -4.162 -5.617 760 HG LEU 100 HG LEU 100 -6.425 -4.232 -2.711 761 HD11 LEU 100 1HD1 LEU 100 -6.367 -2.050 -3.473 762 HD12 LEU 100 2HD1 LEU 100 -8.014 -2.192 -2.860 763 HD13 LEU 100 3HD1 LEU 100 -7.707 -2.295 -4.594 764 HD21 LEU 100 1HD2 LEU 100 -8.488 -5.707 -3.493 765 HD22 LEU 100 2HD2 LEU 100 -9.284 -4.133 -3.500 766 HD23 LEU 100 3HD2 LEU 100 -8.533 -4.737 -2.021 767 H ILE 101 H ILE 101 -4.663 -7.547 -4.739 768 HA ILE 101 HA ILE 101 -4.342 -7.995 -7.605 769 HB ILE 101 HB ILE 101 -1.961 -7.389 -7.555 770 HG12 ILE 101 1HG1 ILE 101 -2.429 -5.987 -4.939 771 HG13 ILE 101 2HG1 ILE 101 -1.904 -7.667 -4.969 772 HG21 ILE 101 1HG2 ILE 101 -3.529 -5.009 -6.618 773 HG22 ILE 101 2HG2 ILE 101 -2.267 -5.089 -7.846 774 HG23 ILE 101 3HG2 ILE 101 -3.856 -5.782 -8.169 775 HD11 ILE 101 1HD1 ILE 101 -0.268 -5.484 -4.983 776 HD12 ILE 101 2HD1 ILE 101 0.189 -7.112 -5.486 777 HD13 ILE 101 3HD1 ILE 101 -0.322 -5.928 -6.689 778 H ASN 102 H ASN 102 -3.243 -9.868 -8.125 779 HA ASN 102 HA ASN 102 -2.406 -11.967 -7.859 780 HB2 ASN 102 1HB ASN 102 -1.454 -10.969 -5.165 781 HB3 ASN 102 2HB ASN 102 -0.872 -12.398 -6.014 782 HD21 ASN 102 1HD2 ASN 102 1.211 -11.336 -5.712 783 HD22 ASN 102 2HD2 ASN 102 1.723 -10.164 -6.874 784 H PHE 103 H PHE 103 -4.999 -11.934 -7.518 785 HA PHE 103 HA PHE 103 -5.477 -13.594 -5.132 786 HB2 PHE 103 1HB PHE 103 -7.890 -12.739 -5.331 787 HB3 PHE 103 2HB PHE 103 -6.687 -11.624 -4.691 788 HD1 PHE 103 1HD PHE 103 -7.763 -12.625 -8.124 789 HD2 PHE 103 2HD PHE 103 -7.084 -9.470 -5.349 790 HE1 PHE 103 1HE PHE 103 -8.377 -10.981 -9.848 791 HE2 PHE 103 2HE PHE 103 -7.698 -7.821 -7.068 792 HZ PHE 103 HZ PHE 103 -8.347 -8.575 -9.321 793 H GLY 104 H GLY 104 -4.639 -14.532 -7.695 794 HA2 GLY 104 1HA GLY 104 -6.716 -16.473 -8.151 795 HA3 GLY 104 2HA GLY 104 -6.505 -15.361 -9.495 796 H ILE 105 H ILE 105 -3.869 -15.019 -9.730 797 HA ILE 105 HA ILE 105 -2.911 -17.053 -11.209 798 HB ILE 105 HB ILE 105 -0.643 -16.284 -10.794 799 HG12 ILE 105 1HG1 ILE 105 -0.849 -16.099 -8.322 800 HG13 ILE 105 2HG1 ILE 105 -0.114 -14.679 -9.057 801 HG21 ILE 105 1HG2 ILE 105 -2.766 -14.167 -10.974 802 HG22 ILE 105 2HG2 ILE 105 -1.050 -13.793 -11.131 803 HG23 ILE 105 3HG2 ILE 105 -1.820 -14.892 -12.275 804 HD11 ILE 105 1HD1 ILE 105 -2.520 -13.727 -9.019 805 HD12 ILE 105 2HD1 ILE 105 -2.806 -14.984 -7.815 806 HD13 ILE 105 3HD1 ILE 105 -1.569 -13.759 -7.534 807 H TYR 106 H TYR 106 -2.842 -16.870 -7.703 808 HA TYR 106 HA TYR 106 -2.102 -19.704 -7.625 809 HB2 TYR 106 1HB TYR 106 -0.527 -19.331 -5.798 810 HB3 TYR 106 2HB TYR 106 -0.038 -18.418 -7.222 811 HD1 TYR 106 1HD TYR 106 -2.060 -17.971 -4.109 812 HD2 TYR 106 2HD TYR 106 0.593 -16.216 -6.934 813 HE1 TYR 106 1HE TYR 106 -1.992 -15.916 -2.759 814 HE2 TYR 106 2HE TYR 106 0.670 -14.157 -5.591 815 HH TYR 106 HH TYR 106 -1.195 -13.856 -2.580 816 H LYS 107 H LYS 107 -2.727 -20.788 -5.671 817 HA LYS 107 HA LYS 107 -5.033 -19.501 -4.388 818 HB2 LYS 107 1HB LYS 107 -4.311 -22.326 -5.017 819 HB3 LYS 107 2HB LYS 107 -5.329 -22.023 -3.615 820 HG2 LYS 107 1HG LYS 107 -6.942 -20.860 -5.029 821 HG3 LYS 107 2HG LYS 107 -5.919 -21.151 -6.437 822 HD2 LYS 107 1HD LYS 107 -6.954 -23.389 -4.717 823 HD3 LYS 107 2HD LYS 107 -7.878 -22.742 -6.075 824 HE2 LYS 107 1HE LYS 107 -6.059 -23.283 -7.594 825 HE3 LYS 107 2HE LYS 107 -5.085 -23.868 -6.247 826 HZ1 LYS 107 1HZ LYS 107 -7.726 -25.036 -6.884 827 HZ2 LYS 107 2HZ LYS 107 -6.487 -25.695 -5.940 828 HZ3 LYS 107 3HZ LYS 107 -6.307 -25.590 -7.619 829 H ARG 108 H ARG 108 -4.286 -18.419 -2.644 830 HA ARG 108 HA ARG 108 -2.579 -19.896 -0.752 831 HB2 ARG 108 1HB ARG 108 -1.448 -17.924 -1.496 832 HB3 ARG 108 2HB ARG 108 -2.881 -16.935 -1.248 833 HG2 ARG 108 1HG ARG 108 -2.564 -16.789 1.002 834 HG3 ARG 108 2HG ARG 108 -1.749 -18.351 1.100 835 HD2 ARG 108 1HD ARG 108 0.194 -17.318 -0.086 836 HD3 ARG 108 2HD ARG 108 -0.618 -15.760 0.058 837 HE ARG 108 HE ARG 108 0.695 -17.247 2.165 838 HH11 ARG 108 2HH1 ARG 108 -1.509 -14.681 1.343 839 HH12 ARG 108 1HH1 ARG 108 -1.325 -13.861 2.858 840 HH21 ARG 108 2HH2 ARG 108 0.947 -16.177 4.163 841 HH22 ARG 108 1HH2 ARG 108 0.073 -14.712 4.461 842 H ILE 109 H ILE 109 -5.029 -17.299 -0.696 843 HA ILE 109 HA ILE 109 -5.777 -17.498 1.947 844 HB ILE 109 HB ILE 109 -7.659 -16.924 -0.344 845 HG12 ILE 109 1HG1 ILE 109 -5.799 -15.458 -0.604 846 HG13 ILE 109 2HG1 ILE 109 -7.059 -14.519 0.188 847 HG21 ILE 109 1HG2 ILE 109 -7.932 -15.555 2.251 848 HG22 ILE 109 2HG2 ILE 109 -9.167 -16.171 1.155 849 HG23 ILE 109 3HG2 ILE 109 -8.323 -17.274 2.241 850 HD11 ILE 109 1HD1 ILE 109 -5.932 -14.980 2.358 851 HD12 ILE 109 2HD1 ILE 109 -4.613 -15.722 1.451 852 HD13 ILE 109 3HD1 ILE 109 -4.984 -14.012 1.229 853 H LYS 110 H LYS 110 -6.473 -19.176 3.078 854 HA LYS 110 HA LYS 110 -7.107 -21.662 2.364 855 HB2 LYS 110 1HB LYS 110 -7.082 -20.904 4.696 856 HB3 LYS 110 2HB LYS 110 -8.616 -20.078 4.453 857 HG2 LYS 110 1HG LYS 110 -9.588 -22.340 3.870 858 HG3 LYS 110 2HG LYS 110 -8.085 -23.034 4.482 859 HD2 LYS 110 1HD LYS 110 -9.580 -23.096 6.299 860 HD3 LYS 110 2HD LYS 110 -8.528 -21.714 6.613 861 HE2 LYS 110 1HE LYS 110 -10.640 -20.869 7.066 862 HE3 LYS 110 2HE LYS 110 -10.357 -20.345 5.406 863 HZ1 LYS 110 1HZ LYS 110 -12.587 -21.488 6.091 864 HZ2 LYS 110 2HZ LYS 110 -11.703 -22.910 5.856 865 HZ3 LYS 110 3HZ LYS 110 -11.884 -21.808 4.586 866 HA PRO 111 HA PRO 111 -10.667 -21.604 -0.235 867 HB2 PRO 111 1HB PRO 111 -11.392 -24.208 0.017 868 HB3 PRO 111 2HB PRO 111 -9.997 -23.688 -0.935 869 HG2 PRO 111 1HG PRO 111 -10.087 -24.794 1.845 870 HG3 PRO 111 2HG PRO 111 -8.960 -25.168 0.528 871 HD2 PRO 111 1HD PRO 111 -8.326 -23.487 2.553 872 HD3 PRO 111 2HD PRO 111 -7.692 -23.282 0.908 873 H LEU 112 H LEU 112 -12.897 -21.503 -0.108 874 HA LEU 112 HA LEU 112 -14.067 -21.957 2.558 875 HB2 LEU 112 1HB LEU 112 -14.543 -19.730 0.596 876 HB3 LEU 112 2HB LEU 112 -15.657 -20.087 1.914 877 HG LEU 112 HG LEU 112 -12.762 -19.325 2.281 878 HD11 LEU 112 1HD1 LEU 112 -15.264 -17.709 2.144 879 HD12 LEU 112 2HD1 LEU 112 -13.658 -17.354 1.510 880 HD13 LEU 112 3HD1 LEU 112 -13.972 -17.220 3.240 881 HD21 LEU 112 1HD2 LEU 112 -14.200 -18.785 4.582 882 HD22 LEU 112 2HD2 LEU 112 -13.096 -20.137 4.328 883 HD23 LEU 112 3HD2 LEU 112 -14.825 -20.344 4.045 884 HA PRO 113 HA PRO 113 -17.117 -24.502 0.689 885 HB2 PRO 113 1HB PRO 113 -19.278 -23.976 2.246 886 HB3 PRO 113 2HB PRO 113 -17.897 -24.924 2.809 887 HG2 PRO 113 1HG PRO 113 -18.536 -22.039 3.290 888 HG3 PRO 113 2HG PRO 113 -17.931 -23.256 4.429 889 HD2 PRO 113 1HD PRO 113 -16.318 -21.417 3.267 890 HD3 PRO 113 2HD PRO 113 -15.757 -23.047 3.690 891 H THR 114 H THR 114 -17.562 -23.766 -1.348 892 HA THR 114 HA THR 114 -19.790 -21.858 -1.580 893 HB THR 114 HB THR 114 -17.776 -20.650 -2.203 894 HG1 THR 114 1HG THR 114 -19.419 -21.430 -4.396 895 HG21 THR 114 1HG2 THR 114 -17.051 -23.163 -3.385 896 HG22 THR 114 2HG2 THR 114 -16.053 -21.735 -3.109 897 HG23 THR 114 3HG2 THR 114 -16.979 -21.889 -4.601 898 H LYS 115 H LYS 115 -21.027 -22.059 -3.569 899 HA LYS 115 HA LYS 115 -22.104 -24.430 -4.129 900 HB2 LYS 115 1HB LYS 115 -21.547 -22.120 -5.960 901 HB3 LYS 115 2HB LYS 115 -22.339 -23.563 -6.580 902 HG2 LYS 115 1HG LYS 115 -23.353 -22.035 -4.199 903 HG3 LYS 115 2HG LYS 115 -23.857 -21.695 -5.856 904 HD2 LYS 115 1HD LYS 115 -24.054 -24.451 -4.676 905 HD3 LYS 115 2HD LYS 115 -25.332 -23.254 -4.456 906 HE2 LYS 115 1HE LYS 115 -26.086 -24.297 -6.345 907 HE3 LYS 115 2HE LYS 115 -25.101 -23.028 -7.071 908 HZ1 LYS 115 1HZ LYS 115 -23.989 -24.624 -8.103 909 HZ2 LYS 115 2HZ LYS 115 -24.800 -25.838 -7.249 910 HZ3 LYS 115 3HZ LYS 115 -23.395 -25.148 -6.608 911 H LYS 116 H LYS 116 -21.044 -26.307 -4.320 912 HA LYS 116 HA LYS 116 -18.526 -26.738 -5.386 913 HB2 LYS 116 1HB LYS 116 -19.125 -29.095 -5.505 914 HB3 LYS 116 2HB LYS 116 -19.741 -28.384 -4.019 915 HG2 LYS 116 1HG LYS 116 -21.953 -28.127 -5.193 916 HG3 LYS 116 2HG LYS 116 -21.283 -29.117 -6.492 917 HD2 LYS 116 1HD LYS 116 -21.101 -30.116 -3.690 918 HD3 LYS 116 2HD LYS 116 -22.657 -30.198 -4.520 919 HE2 LYS 116 1HE LYS 116 -21.471 -31.360 -6.406 920 HE3 LYS 116 2HE LYS 116 -20.048 -31.444 -5.368 921 HZ1 LYS 116 1HZ LYS 116 -22.409 -32.402 -4.068 922 HZ2 LYS 116 2HZ LYS 116 -20.903 -33.149 -4.252 923 HZ3 LYS 116 3HZ LYS 116 -22.063 -33.274 -5.476 924 H THR 117 H THR 117 -17.929 -27.921 -7.363 925 HA THR 117 HA THR 117 -17.861 -28.183 -9.625 926 HB THR 117 HB THR 117 -20.797 -27.565 -9.808 927 HG1 THR 117 1HG THR 117 -21.225 -29.268 -8.640 928 HG21 THR 117 1HG2 THR 117 -20.752 -29.092 -11.651 929 HG22 THR 117 2HG2 THR 117 -19.110 -29.603 -11.258 930 HG23 THR 117 3HG2 THR 117 -19.407 -27.970 -11.856 931 H GLY 118 H GLY 118 -17.118 -25.733 -8.664 932 HA2 GLY 118 1HA GLY 118 -18.018 -23.965 -10.843 933 HA3 GLY 118 2HA GLY 118 -17.947 -23.361 -9.194 934 H SER 119 H SER 119 -16.496 -21.748 -10.137 935 HA SER 119 HA SER 119 -13.830 -22.733 -10.822 936 HB2 SER 119 1HB SER 119 -15.303 -20.175 -11.225 937 HB3 SER 119 2HB SER 119 -13.547 -20.091 -11.085 938 HG SER 119 HG SER 119 -15.127 -21.221 -13.076 939 H GLY 120 H GLY 120 -13.167 -23.434 -8.757 940 HA2 GLY 120 1HA GLY 120 -12.136 -21.274 -7.100 941 HA3 GLY 120 2HA GLY 120 -13.277 -22.358 -6.319 942 HA PRO 121 HA PRO 121 -9.505 -24.494 -5.243 943 HB2 PRO 121 1HB PRO 121 -10.699 -26.309 -3.616 944 HB3 PRO 121 2HB PRO 121 -10.365 -24.646 -3.118 945 HG2 PRO 121 1HG PRO 121 -12.923 -25.853 -4.099 946 HG3 PRO 121 2HG PRO 121 -12.661 -24.725 -2.756 947 HD2 PRO 121 1HD PRO 121 -13.563 -23.921 -5.179 948 HD3 PRO 121 2HD PRO 121 -12.542 -22.894 -4.151 949 H SER 122 H SER 122 -9.100 -27.018 -4.973 950 HA SER 122 HA SER 122 -10.393 -28.409 -7.223 951 HB2 SER 122 1HB SER 122 -8.179 -29.404 -7.783 952 HB3 SER 122 2HB SER 122 -8.218 -27.654 -7.999 953 HG SER 122 HG SER 122 -6.554 -29.063 -6.514 954 H SER 123 H SER 123 -9.732 -30.834 -7.156 955 HA SER 123 HA SER 123 -10.522 -31.808 -4.552 956 HB2 SER 123 1HB SER 123 -9.911 -33.346 -7.088 957 HB3 SER 123 2HB SER 123 -10.697 -33.990 -5.647 958 HG SER 123 HG SER 123 -11.749 -32.539 -7.696 959 H GLY 124 H GLY 124 -8.017 -30.614 -4.436 960 HA2 GLY 124 1HA GLY 124 -5.885 -32.476 -4.697 961 HA3 GLY 124 2HA GLY 124 -5.842 -30.976 -3.783 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -27.766 13.642 -15.890 2 HA2 GLY 1 1HA GLY 1 -28.037 13.161 -18.750 3 HA3 GLY 1 2HA GLY 1 -28.267 14.821 -18.223 4 H SER 2 H SER 2 -25.959 12.139 -17.793 5 HA SER 2 HA SER 2 -23.784 14.031 -18.326 6 HB2 SER 2 1HB SER 2 -22.511 13.365 -16.437 7 HB3 SER 2 2HB SER 2 -24.135 13.669 -15.821 8 HG SER 2 HG SER 2 -22.759 11.261 -16.117 9 H SER 3 H SER 3 -22.065 13.190 -19.429 10 HA SER 3 HA SER 3 -22.495 10.662 -20.738 11 HB2 SER 3 1HB SER 3 -21.617 12.409 -22.107 12 HB3 SER 3 2HB SER 3 -20.327 12.755 -20.955 13 HG SER 3 HG SER 3 -20.324 10.162 -21.807 14 H GLY 4 H GLY 4 -22.354 9.243 -18.911 15 HA2 GLY 4 1HA GLY 4 -19.805 9.035 -17.531 16 HA3 GLY 4 2HA GLY 4 -21.239 8.065 -17.229 17 H SER 5 H SER 5 -18.217 8.235 -18.803 18 HA SER 5 HA SER 5 -18.484 6.371 -20.850 19 HB2 SER 5 1HB SER 5 -16.067 6.777 -19.072 20 HB3 SER 5 2HB SER 5 -16.070 6.057 -20.682 21 HG SER 5 HG SER 5 -15.786 8.023 -21.351 22 H SER 6 H SER 6 -18.975 4.287 -20.853 23 HA SER 6 HA SER 6 -18.090 2.557 -18.689 24 HB2 SER 6 1HB SER 6 -21.001 2.999 -19.366 25 HB3 SER 6 2HB SER 6 -20.425 1.583 -18.486 26 HG SER 6 HG SER 6 -20.600 2.817 -16.799 27 H GLY 7 H GLY 7 -18.087 0.336 -19.231 28 HA2 GLY 7 1HA GLY 7 -17.983 -1.485 -20.632 29 HA3 GLY 7 2HA GLY 7 -19.114 -0.654 -21.691 30 H GLU 8 H GLU 8 -15.910 0.450 -20.683 31 HA GLU 8 HA GLU 8 -15.033 0.198 -23.485 32 HB2 GLU 8 1HB GLU 8 -15.435 2.534 -23.013 33 HB3 GLU 8 2HB GLU 8 -14.483 2.442 -21.538 34 HG2 GLU 8 1HG GLU 8 -12.594 1.687 -23.210 35 HG3 GLU 8 2HG GLU 8 -13.596 2.562 -24.367 36 H GLU 9 H GLU 9 -12.907 -0.404 -23.856 37 HA GLU 9 HA GLU 9 -11.719 -2.101 -21.950 38 HB2 GLU 9 1HB GLU 9 -10.810 -0.958 -24.572 39 HB3 GLU 9 2HB GLU 9 -9.701 -1.894 -23.580 40 HG2 GLU 9 1HG GLU 9 -11.552 -3.680 -23.577 41 HG3 GLU 9 2HG GLU 9 -12.212 -2.779 -24.940 42 HA PRO 10 HA PRO 10 -9.569 0.856 -19.456 43 HB2 PRO 10 1HB PRO 10 -8.017 -0.913 -18.102 44 HB3 PRO 10 2HB PRO 10 -9.738 -0.692 -17.766 45 HG2 PRO 10 1HG PRO 10 -8.381 -2.809 -19.392 46 HG3 PRO 10 2HG PRO 10 -9.703 -2.973 -18.221 47 HD2 PRO 10 1HD PRO 10 -10.122 -2.941 -20.896 48 HD3 PRO 10 2HD PRO 10 -11.299 -2.290 -19.737 49 H SER 11 H SER 11 -8.328 1.960 -20.985 50 HA SER 11 HA SER 11 -5.630 0.858 -21.425 51 HB2 SER 11 1HB SER 11 -5.597 2.122 -23.577 52 HB3 SER 11 2HB SER 11 -6.815 0.847 -23.540 53 HG SER 11 HG SER 11 -8.344 2.512 -22.974 54 H GLY 12 H GLY 12 -4.846 1.938 -19.577 55 HA2 GLY 12 1HA GLY 12 -3.528 4.276 -19.868 56 HA3 GLY 12 2HA GLY 12 -5.125 4.810 -19.365 57 H VAL 13 H VAL 13 -2.318 4.728 -18.111 58 HA VAL 13 HA VAL 13 -2.152 3.022 -15.967 59 HB VAL 13 HB VAL 13 -1.396 5.947 -15.967 60 HG11 VAL 13 1HG1 VAL 13 -1.327 4.021 -13.894 61 HG12 VAL 13 2HG1 VAL 13 0.336 4.315 -14.406 62 HG13 VAL 13 3HG1 VAL 13 -0.678 5.661 -13.887 63 HG21 VAL 13 1HG2 VAL 13 -0.482 4.329 -17.783 64 HG22 VAL 13 2HG2 VAL 13 0.637 5.383 -16.919 65 HG23 VAL 13 3HG2 VAL 13 0.496 3.685 -16.465 66 H GLU 14 H GLU 14 -3.572 6.297 -15.852 67 HA GLU 14 HA GLU 14 -4.550 6.227 -13.275 68 HB2 GLU 14 1HB GLU 14 -5.808 7.552 -15.683 69 HB3 GLU 14 2HB GLU 14 -6.194 7.920 -14.008 70 HG2 GLU 14 1HG GLU 14 -3.913 8.682 -13.636 71 HG3 GLU 14 2HG GLU 14 -3.503 8.290 -15.305 72 H GLY 15 H GLY 15 -6.074 5.034 -16.241 73 HA2 GLY 15 1HA GLY 15 -8.604 4.451 -15.524 74 HA3 GLY 15 2HA GLY 15 -7.631 3.333 -16.468 75 H ALA 16 H ALA 16 -5.801 2.448 -14.639 76 HA ALA 16 HA ALA 16 -6.934 0.328 -13.412 77 HB1 ALA 16 1HB ALA 16 -4.921 -0.047 -12.473 78 HB2 ALA 16 2HB ALA 16 -4.426 1.308 -13.488 79 HB3 ALA 16 3HB ALA 16 -4.816 1.576 -11.789 80 H ALA 17 H ALA 17 -6.431 3.497 -11.870 81 HA ALA 17 HA ALA 17 -7.361 3.029 -9.350 82 HB1 ALA 17 1HB ALA 17 -7.076 5.338 -11.054 83 HB2 ALA 17 2HB ALA 17 -8.487 5.493 -10.006 84 HB3 ALA 17 3HB ALA 17 -6.896 5.202 -9.304 85 H PHE 18 H PHE 18 -9.284 3.505 -12.270 86 HA PHE 18 HA PHE 18 -11.800 3.885 -11.394 87 HB2 PHE 18 1HB PHE 18 -11.394 3.606 -13.739 88 HB3 PHE 18 2HB PHE 18 -10.868 1.942 -13.510 89 HD1 PHE 18 2HD PHE 18 -13.796 4.190 -13.388 90 HD2 PHE 18 1HD PHE 18 -12.412 0.167 -13.496 91 HE1 PHE 18 2HE PHE 18 -16.094 3.415 -13.800 92 HE2 PHE 18 1HE PHE 18 -14.708 -0.615 -13.908 93 HZ PHE 18 HZ PHE 18 -16.553 1.009 -14.059 94 H GLN 19 H GLN 19 -10.484 0.591 -11.800 95 HA GLN 19 HA GLN 19 -12.428 -0.928 -10.734 96 HB2 GLN 19 1HB GLN 19 -10.839 -2.576 -10.269 97 HB3 GLN 19 2HB GLN 19 -10.067 -1.602 -11.513 98 HG2 GLN 19 1HG GLN 19 -8.337 -1.793 -10.061 99 HG3 GLN 19 2HG GLN 19 -9.088 -0.333 -9.419 100 HE21 GLN 19 1HE2 GLN 19 -9.565 -3.841 -9.117 101 HE22 GLN 19 2HE2 GLN 19 -9.660 -3.850 -7.392 102 H SER 20 H SER 20 -10.234 1.134 -8.923 103 HA SER 20 HA SER 20 -11.461 0.303 -6.400 104 HB2 SER 20 1HB SER 20 -8.883 0.704 -6.880 105 HB3 SER 20 2HB SER 20 -9.313 2.376 -6.518 106 HG SER 20 HG SER 20 -9.752 0.122 -4.847 107 H ARG 21 H ARG 21 -12.984 1.465 -5.427 108 HA ARG 21 HA ARG 21 -13.997 3.846 -6.637 109 HB2 ARG 21 1HB ARG 21 -14.691 2.389 -4.087 110 HB3 ARG 21 2HB ARG 21 -15.518 3.851 -4.606 111 HG2 ARG 21 1HG ARG 21 -15.332 1.440 -6.377 112 HG3 ARG 21 2HG ARG 21 -16.598 1.609 -5.159 113 HD2 ARG 21 1HD ARG 21 -17.098 3.866 -6.218 114 HD3 ARG 21 2HD ARG 21 -16.065 3.350 -7.550 115 HE ARG 21 HE ARG 21 -17.702 1.871 -8.224 116 HH11 ARG 21 2HH1 ARG 21 -18.510 3.224 -5.120 117 HH12 ARG 21 1HH1 ARG 21 -20.133 2.620 -5.133 118 HH21 ARG 21 2HH2 ARG 21 -19.838 1.070 -8.253 119 HH22 ARG 21 1HH2 ARG 21 -20.887 1.393 -6.915 120 H LEU 22 H LEU 22 -11.923 5.041 -6.464 121 HA LEU 22 HA LEU 22 -12.039 6.875 -4.273 122 HB2 LEU 22 1HB LEU 22 -10.032 6.443 -3.194 123 HB3 LEU 22 2HB LEU 22 -10.728 4.842 -3.433 124 HG LEU 22 HG LEU 22 -9.217 4.850 -5.582 125 HD11 LEU 22 1HD1 LEU 22 -8.192 7.113 -3.963 126 HD12 LEU 22 2HD1 LEU 22 -8.193 6.874 -5.710 127 HD13 LEU 22 3HD1 LEU 22 -7.011 6.034 -4.707 128 HD21 LEU 22 1HD2 LEU 22 -7.278 4.265 -3.754 129 HD22 LEU 22 2HD2 LEU 22 -8.559 3.163 -4.262 130 HD23 LEU 22 3HD2 LEU 22 -8.747 4.115 -2.788 131 HA PRO 23 HA PRO 23 -10.333 9.541 -7.317 132 HB2 PRO 23 1HB PRO 23 -9.144 11.411 -5.748 133 HB3 PRO 23 2HB PRO 23 -10.897 11.282 -5.928 134 HG2 PRO 23 1HG PRO 23 -9.140 10.269 -3.727 135 HG3 PRO 23 2HG PRO 23 -10.711 11.083 -3.619 136 HD2 PRO 23 1HD PRO 23 -10.442 8.399 -3.382 137 HD3 PRO 23 2HD PRO 23 -11.884 9.155 -4.090 138 H HIS 24 H HIS 24 -8.607 9.275 -8.575 139 HA HIS 24 HA HIS 24 -6.163 8.166 -7.497 140 HB2 HIS 24 1HB HIS 24 -5.473 8.352 -9.988 141 HB3 HIS 24 2HB HIS 24 -6.722 7.192 -9.546 142 HD1 HIS 24 1HD HIS 24 -9.213 7.886 -10.134 143 HD2 HIS 24 2HD HIS 24 -6.251 10.298 -11.767 144 HE1 HIS 24 1HE HIS 24 -10.347 9.209 -11.947 145 HE2 HIS 24 2HE HIS 24 -8.517 10.598 -12.978 146 H ASP 25 H ASP 25 -7.319 11.181 -7.528 147 HA ASP 25 HA ASP 25 -4.785 12.467 -8.257 148 HB2 ASP 25 1HB ASP 25 -6.988 13.303 -9.200 149 HB3 ASP 25 2HB ASP 25 -7.385 13.839 -7.570 150 H ARG 26 H ARG 26 -6.895 11.791 -5.574 151 HA ARG 26 HA ARG 26 -4.901 12.979 -3.771 152 HB2 ARG 26 1HB ARG 26 -6.624 13.861 -2.331 153 HB3 ARG 26 2HB ARG 26 -6.876 14.477 -3.959 154 HG2 ARG 26 1HG ARG 26 -8.570 12.646 -4.274 155 HG3 ARG 26 2HG ARG 26 -8.422 12.325 -2.544 156 HD2 ARG 26 1HD ARG 26 -9.083 15.044 -3.647 157 HD3 ARG 26 2HD ARG 26 -10.319 13.849 -3.258 158 HE ARG 26 HE ARG 26 -9.906 14.176 -1.003 159 HH11 ARG 26 2HH1 ARG 26 -7.593 15.911 -2.942 160 HH12 ARG 26 1HH1 ARG 26 -6.994 16.854 -1.617 161 HH21 ARG 26 2HH2 ARG 26 -9.126 15.410 0.749 162 HH22 ARG 26 1HH2 ARG 26 -7.866 16.568 0.482 163 H MET 27 H MET 27 -5.443 12.220 -1.414 164 HA MET 27 HA MET 27 -5.687 9.306 -1.552 165 HB2 MET 27 1HB MET 27 -4.671 11.059 0.692 166 HB3 MET 27 2HB MET 27 -4.630 9.301 0.660 167 HG2 MET 27 1HG MET 27 -3.093 9.331 -1.199 168 HG3 MET 27 2HG MET 27 -3.198 11.087 -1.291 169 HE1 MET 27 1HE MET 27 -2.463 8.075 0.616 170 HE2 MET 27 2HE MET 27 -0.774 8.325 1.057 171 HE3 MET 27 3HE MET 27 -2.052 8.690 2.217 172 H THR 28 H THR 28 -6.941 8.150 0.009 173 HA THR 28 HA THR 28 -9.306 9.663 0.878 174 HB THR 28 HB THR 28 -10.496 7.534 0.930 175 HG1 THR 28 1HG THR 28 -7.941 6.485 0.268 176 HG21 THR 28 1HG2 THR 28 -10.627 7.134 -1.415 177 HG22 THR 28 2HG2 THR 28 -8.981 7.714 -1.670 178 HG23 THR 28 3HG2 THR 28 -10.254 8.845 -1.210 179 H SER 29 H SER 29 -10.382 8.799 2.885 180 HA SER 29 HA SER 29 -9.033 9.245 5.147 181 HB2 SER 29 1HB SER 29 -11.001 6.957 4.974 182 HB3 SER 29 2HB SER 29 -10.672 7.989 6.365 183 HG SER 29 HG SER 29 -12.595 8.404 4.866 184 H GLN 30 H GLN 30 -9.312 5.995 3.712 185 HA GLN 30 HA GLN 30 -7.641 4.696 5.554 186 HB2 GLN 30 1HB GLN 30 -9.235 3.791 3.645 187 HB3 GLN 30 2HB GLN 30 -7.740 3.773 2.718 188 HG2 GLN 30 1HG GLN 30 -8.455 1.643 3.960 189 HG3 GLN 30 2HG GLN 30 -6.772 2.158 4.056 190 HE21 GLN 30 1HE2 GLN 30 -6.024 3.123 5.981 191 HE22 GLN 30 2HE2 GLN 30 -6.837 2.868 7.483 192 H GLU 31 H GLU 31 -6.814 5.379 2.153 193 HA GLU 31 HA GLU 31 -4.171 4.906 2.134 194 HB2 GLU 31 1HB GLU 31 -5.476 7.341 0.905 195 HB3 GLU 31 2HB GLU 31 -3.911 6.683 0.446 196 HG2 GLU 31 1HG GLU 31 -4.867 4.763 -0.493 197 HG3 GLU 31 2HG GLU 31 -6.417 5.046 0.298 198 H ALA 32 H ALA 32 -5.687 7.812 3.458 199 HA ALA 32 HA ALA 32 -3.317 9.211 4.056 200 HB1 ALA 32 1HB ALA 32 -6.128 9.369 5.078 201 HB2 ALA 32 2HB ALA 32 -4.849 10.357 5.786 202 HB3 ALA 32 3HB ALA 32 -5.239 10.516 4.074 203 H ALA 33 H ALA 33 -5.277 6.959 5.965 204 HA ALA 33 HA ALA 33 -3.738 7.207 8.342 205 HB1 ALA 33 1HB ALA 33 -5.541 6.169 9.112 206 HB2 ALA 33 2HB ALA 33 -6.057 5.759 7.476 207 HB3 ALA 33 3HB ALA 33 -4.965 4.686 8.352 208 H CYS 34 H CYS 34 -3.698 4.932 5.631 209 HA CYS 34 HA CYS 34 -1.727 3.212 6.726 210 HB2 CYS 34 1HB CYS 34 -3.404 2.913 4.696 211 HB3 CYS 34 2HB CYS 34 -2.031 3.510 3.771 212 HG CYS 34 HG CYS 34 -0.319 1.460 4.461 213 H PHE 35 H PHE 35 -1.579 5.961 4.500 214 HA PHE 35 HA PHE 35 1.348 5.975 4.843 215 HB2 PHE 35 1HB PHE 35 -0.210 7.042 2.480 216 HB3 PHE 35 2HB PHE 35 1.542 6.987 2.640 217 HD1 PHE 35 2HD PHE 35 -1.482 4.863 2.398 218 HD2 PHE 35 1HD PHE 35 2.749 5.094 1.993 219 HE1 PHE 35 2HE PHE 35 -1.463 2.631 1.362 220 HE2 PHE 35 1HE PHE 35 2.775 2.862 0.955 221 HZ PHE 35 HZ PHE 35 0.667 1.628 0.640 222 HA PRO 36 HA PRO 36 -0.189 9.806 6.858 223 HB2 PRO 36 1HB PRO 36 1.744 9.826 8.764 224 HB3 PRO 36 2HB PRO 36 0.252 8.892 8.920 225 HG2 PRO 36 1HG PRO 36 2.977 7.982 8.079 226 HG3 PRO 36 2HG PRO 36 1.821 7.194 9.168 227 HD2 PRO 36 1HD PRO 36 2.136 6.442 6.586 228 HD3 PRO 36 2HD PRO 36 0.577 6.333 7.428 229 H ASP 37 H ASP 37 3.136 8.852 6.074 230 HA ASP 37 HA ASP 37 4.217 11.461 6.035 231 HB2 ASP 37 1HB ASP 37 6.037 10.380 4.639 232 HB3 ASP 37 2HB ASP 37 5.739 9.642 6.210 233 H ILE 38 H ILE 38 2.516 9.549 3.657 234 HA ILE 38 HA ILE 38 3.170 11.225 1.429 235 HB ILE 38 HB ILE 38 0.897 9.254 1.697 236 HG12 ILE 38 1HG1 ILE 38 3.157 8.270 2.096 237 HG13 ILE 38 2HG1 ILE 38 2.354 7.626 0.668 238 HG21 ILE 38 1HG2 ILE 38 2.161 9.893 -0.904 239 HG22 ILE 38 2HG2 ILE 38 0.488 9.490 -0.524 240 HG23 ILE 38 3HG2 ILE 38 1.099 11.112 -0.199 241 HD11 ILE 38 1HD1 ILE 38 4.291 9.891 0.442 242 HD12 ILE 38 2HD1 ILE 38 4.846 8.219 0.528 243 HD13 ILE 38 3HD1 ILE 38 3.783 8.730 -0.783 244 H ILE 39 H ILE 39 0.205 10.745 3.349 245 HA ILE 39 HA ILE 39 -1.255 12.818 2.105 246 HB ILE 39 HB ILE 39 -2.345 11.023 3.376 247 HG12 ILE 39 1HG1 ILE 39 -3.873 12.536 4.760 248 HG13 ILE 39 2HG1 ILE 39 -2.817 13.861 4.283 249 HG21 ILE 39 1HG2 ILE 39 -1.612 10.438 5.385 250 HG22 ILE 39 2HG2 ILE 39 -0.492 11.799 5.385 251 HG23 ILE 39 3HG2 ILE 39 -2.123 12.000 6.025 252 HD11 ILE 39 1HD1 ILE 39 -5.006 12.789 2.886 253 HD12 ILE 39 2HD1 ILE 39 -3.903 14.066 2.373 254 HD13 ILE 39 3HD1 ILE 39 -3.559 12.386 1.962 255 H SER 40 H SER 40 1.022 12.767 4.743 256 HA SER 40 HA SER 40 0.418 15.546 5.428 257 HB2 SER 40 1HB SER 40 0.760 13.761 7.206 258 HB3 SER 40 2HB SER 40 2.462 13.754 6.746 259 HG SER 40 HG SER 40 1.157 16.161 7.409 260 H GLY 41 H GLY 41 1.626 14.880 2.874 261 HA2 GLY 41 1HA GLY 41 4.169 16.344 3.209 262 HA3 GLY 41 2HA GLY 41 4.036 14.978 2.110 263 HA PRO 42 HA PRO 42 3.195 18.970 -0.178 264 HB2 PRO 42 1HB PRO 42 5.086 18.589 -2.088 265 HB3 PRO 42 2HB PRO 42 5.421 19.395 -0.551 266 HG2 PRO 42 1HG PRO 42 5.960 16.564 -1.364 267 HG3 PRO 42 2HG PRO 42 6.999 17.688 -0.468 268 HD2 PRO 42 1HD PRO 42 5.554 15.750 0.753 269 HD3 PRO 42 2HD PRO 42 5.901 17.312 1.524 270 H GLN 43 H GLN 43 2.198 19.173 -2.219 271 HA GLN 43 HA GLN 43 0.537 17.166 -3.052 272 HB2 GLN 43 1HB GLN 43 0.608 19.664 -3.723 273 HB3 GLN 43 2HB GLN 43 1.654 19.131 -5.033 274 HG2 GLN 43 1HG GLN 43 -0.739 19.356 -5.652 275 HG3 GLN 43 2HG GLN 43 -0.059 17.757 -5.947 276 HE21 GLN 43 1HE2 GLN 43 -0.914 16.022 -4.943 277 HE22 GLN 43 2HE2 GLN 43 -2.257 16.088 -3.858 278 H GLN 44 H GLN 44 3.796 17.874 -4.223 279 HA GLN 44 HA GLN 44 3.897 16.120 -6.375 280 HB2 GLN 44 1HB GLN 44 5.654 17.744 -5.954 281 HB3 GLN 44 2HB GLN 44 6.097 16.921 -4.465 282 HG2 GLN 44 1HG GLN 44 7.693 16.339 -6.122 283 HG3 GLN 44 2HG GLN 44 6.687 14.922 -5.822 284 HE21 GLN 44 1HE2 GLN 44 4.991 14.460 -7.358 285 HE22 GLN 44 2HE2 GLN 44 5.196 14.910 -9.013 286 H THR 45 H THR 45 4.812 15.520 -2.988 287 HA THR 45 HA THR 45 5.601 12.872 -3.237 288 HB THR 45 HB THR 45 4.237 14.208 -0.893 289 HG1 THR 45 1HG THR 45 6.981 13.595 -1.053 290 HG21 THR 45 1HG2 THR 45 4.429 12.325 0.309 291 HG22 THR 45 2HG2 THR 45 6.038 11.985 -0.328 292 HG23 THR 45 3HG2 THR 45 4.608 11.499 -1.238 293 H GLN 46 H GLN 46 2.373 14.123 -2.391 294 HA GLN 46 HA GLN 46 1.021 11.745 -2.095 295 HB2 GLN 46 1HB GLN 46 0.102 14.390 -3.210 296 HB3 GLN 46 2HB GLN 46 -1.000 13.045 -2.947 297 HG2 GLN 46 1HG GLN 46 -0.430 13.041 -0.572 298 HG3 GLN 46 2HG GLN 46 0.669 14.394 -0.837 299 HE21 GLN 46 1HE2 GLN 46 -1.155 14.804 1.004 300 HE22 GLN 46 2HE2 GLN 46 -2.424 15.834 0.446 301 H LYS 47 H LYS 47 1.531 13.569 -5.104 302 HA LYS 47 HA LYS 47 0.137 11.874 -6.824 303 HB2 LYS 47 1HB LYS 47 2.515 13.671 -7.291 304 HB3 LYS 47 2HB LYS 47 1.711 12.804 -8.593 305 HG2 LYS 47 1HG LYS 47 -0.432 13.946 -7.749 306 HG3 LYS 47 2HG LYS 47 0.664 15.029 -6.888 307 HD2 LYS 47 1HD LYS 47 0.960 14.492 -9.828 308 HD3 LYS 47 2HD LYS 47 -0.129 15.740 -9.218 309 HE2 LYS 47 1HE LYS 47 2.668 15.701 -8.211 310 HE3 LYS 47 2HE LYS 47 2.389 16.263 -9.858 311 HZ1 LYS 47 1HZ LYS 47 0.830 17.894 -9.005 312 HZ2 LYS 47 2HZ LYS 47 2.343 18.087 -8.274 313 HZ3 LYS 47 3HZ LYS 47 1.080 17.350 -7.423 314 H VAL 48 H VAL 48 3.551 11.819 -5.855 315 HA VAL 48 HA VAL 48 4.478 9.780 -7.467 316 HB VAL 48 HB VAL 48 5.242 10.309 -4.591 317 HG11 VAL 48 1HG1 VAL 48 6.057 8.157 -5.171 318 HG12 VAL 48 2HG1 VAL 48 6.581 8.710 -6.763 319 HG13 VAL 48 3HG1 VAL 48 7.419 9.268 -5.314 320 HG21 VAL 48 1HG2 VAL 48 6.516 12.024 -5.281 321 HG22 VAL 48 2HG2 VAL 48 7.012 11.194 -6.755 322 HG23 VAL 48 3HG2 VAL 48 5.459 12.028 -6.693 323 H PHE 49 H PHE 49 2.777 9.543 -4.371 324 HA PHE 49 HA PHE 49 2.936 6.685 -4.267 325 HB2 PHE 49 1HB PHE 49 2.693 7.524 -2.140 326 HB3 PHE 49 2HB PHE 49 1.620 8.820 -2.659 327 HD1 PHE 49 1HD PHE 49 -0.767 8.385 -3.018 328 HD2 PHE 49 2HD PHE 49 1.846 5.395 -1.485 329 HE1 PHE 49 1HE PHE 49 -2.710 7.085 -2.249 330 HE2 PHE 49 2HE PHE 49 -0.093 4.091 -0.715 331 HZ PHE 49 HZ PHE 49 -2.375 4.935 -1.097 332 H LEU 50 H LEU 50 0.495 9.039 -5.248 333 HA LEU 50 HA LEU 50 -1.567 7.137 -5.707 334 HB2 LEU 50 1HB LEU 50 -1.127 9.975 -6.578 335 HB3 LEU 50 2HB LEU 50 -2.520 9.046 -7.127 336 HG LEU 50 HG LEU 50 -1.901 9.551 -4.221 337 HD11 LEU 50 1HD1 LEU 50 -3.516 11.321 -4.261 338 HD12 LEU 50 2HD1 LEU 50 -3.858 11.035 -5.967 339 HD13 LEU 50 3HD1 LEU 50 -2.284 11.661 -5.476 340 HD21 LEU 50 1HD2 LEU 50 -3.527 7.685 -5.325 341 HD22 LEU 50 2HD2 LEU 50 -4.640 9.043 -5.155 342 HD23 LEU 50 3HD2 LEU 50 -3.784 8.421 -3.743 343 H PHE 51 H PHE 51 1.288 7.751 -7.335 344 HA PHE 51 HA PHE 51 0.243 7.006 -9.959 345 HB2 PHE 51 1HB PHE 51 1.831 8.801 -10.013 346 HB3 PHE 51 2HB PHE 51 2.976 7.895 -9.030 347 HD1 PHE 51 1HD PHE 51 3.779 5.626 -10.059 348 HD2 PHE 51 2HD PHE 51 2.099 8.834 -12.296 349 HE1 PHE 51 1HE PHE 51 4.846 4.757 -12.099 350 HE2 PHE 51 2HE PHE 51 3.162 7.969 -14.340 351 HZ PHE 51 HZ PHE 51 4.537 5.928 -14.243 352 H ILE 52 H ILE 52 2.666 5.884 -7.611 353 HA ILE 52 HA ILE 52 3.509 3.590 -8.909 354 HB ILE 52 HB ILE 52 3.161 4.011 -5.939 355 HG12 ILE 52 1HG1 ILE 52 5.790 4.104 -7.347 356 HG13 ILE 52 2HG1 ILE 52 4.718 5.491 -7.502 357 HG21 ILE 52 1HG2 ILE 52 3.378 1.610 -6.785 358 HG22 ILE 52 2HG2 ILE 52 5.025 2.049 -7.235 359 HG23 ILE 52 3HG2 ILE 52 4.517 2.142 -5.549 360 HD11 ILE 52 1HD1 ILE 52 6.435 4.761 -5.340 361 HD12 ILE 52 2HD1 ILE 52 5.498 6.237 -5.576 362 HD13 ILE 52 3HD1 ILE 52 4.766 4.846 -4.776 363 H ARG 53 H ARG 53 0.578 4.168 -7.085 364 HA ARG 53 HA ARG 53 -0.225 1.493 -6.733 365 HB2 ARG 53 1HB ARG 53 -1.309 3.188 -5.449 366 HB3 ARG 53 2HB ARG 53 -1.788 4.067 -6.895 367 HG2 ARG 53 1HG ARG 53 -3.036 1.768 -7.390 368 HG3 ARG 53 2HG ARG 53 -3.000 1.687 -5.628 369 HD2 ARG 53 1HD ARG 53 -4.243 3.792 -7.376 370 HD3 ARG 53 2HD ARG 53 -5.030 2.753 -6.189 371 HE ARG 53 HE ARG 53 -3.565 5.195 -5.676 372 HH11 ARG 53 2HH1 ARG 53 -4.921 2.273 -4.354 373 HH12 ARG 53 1HH1 ARG 53 -4.999 2.886 -2.736 374 HH21 ARG 53 2HH2 ARG 53 -3.663 6.014 -3.549 375 HH22 ARG 53 1HH2 ARG 53 -4.285 5.014 -2.279 376 H ASN 54 H ASN 54 -1.746 3.812 -8.971 377 HA ASN 54 HA ASN 54 -3.139 2.075 -10.534 378 HB2 ASN 54 1HB ASN 54 -1.733 4.640 -11.255 379 HB3 ASN 54 2HB ASN 54 -2.700 3.757 -12.433 380 HD21 ASN 54 1HD2 ASN 54 -2.720 5.819 -9.702 381 HD22 ASN 54 2HD2 ASN 54 -4.432 6.021 -9.587 382 H ARG 55 H ARG 55 0.229 3.087 -11.086 383 HA ARG 55 HA ARG 55 0.734 1.619 -13.383 384 HB2 ARG 55 1HB ARG 55 2.254 3.319 -12.363 385 HB3 ARG 55 2HB ARG 55 2.696 2.132 -11.143 386 HG2 ARG 55 1HG ARG 55 4.380 2.238 -12.875 387 HG3 ARG 55 2HG ARG 55 3.577 0.666 -12.895 388 HD2 ARG 55 1HD ARG 55 2.477 2.807 -14.632 389 HD3 ARG 55 2HD ARG 55 4.006 2.071 -15.109 390 HE ARG 55 HE ARG 55 1.881 0.213 -14.471 391 HH11 ARG 55 2HH1 ARG 55 3.520 2.034 -16.945 392 HH12 ARG 55 1HH1 ARG 55 2.988 1.009 -18.236 393 HH21 ARG 55 2HH2 ARG 55 1.173 -1.144 -16.162 394 HH22 ARG 55 1HH2 ARG 55 1.652 -0.798 -17.790 395 H THR 56 H THR 56 1.101 0.637 -9.991 396 HA THR 56 HA THR 56 2.169 -1.904 -10.428 397 HB THR 56 HB THR 56 0.406 -0.916 -8.182 398 HG1 THR 56 1HG THR 56 2.571 0.007 -8.514 399 HG21 THR 56 1HG2 THR 56 2.090 -3.421 -8.249 400 HG22 THR 56 2HG2 THR 56 0.335 -3.392 -8.421 401 HG23 THR 56 3HG2 THR 56 1.083 -2.854 -6.918 402 H LEU 57 H LEU 57 -1.217 -0.873 -10.150 403 HA LEU 57 HA LEU 57 -2.344 -3.450 -10.395 404 HB2 LEU 57 1HB LEU 57 -3.323 -0.660 -10.615 405 HB3 LEU 57 2HB LEU 57 -4.325 -1.928 -11.317 406 HG LEU 57 HG LEU 57 -3.392 -2.052 -8.464 407 HD11 LEU 57 1HD1 LEU 57 -6.122 -1.217 -8.714 408 HD12 LEU 57 2HD1 LEU 57 -5.061 -0.061 -9.520 409 HD13 LEU 57 3HD1 LEU 57 -4.799 -0.464 -7.823 410 HD21 LEU 57 1HD2 LEU 57 -4.260 -4.103 -9.488 411 HD22 LEU 57 2HD2 LEU 57 -5.750 -3.258 -9.909 412 HD23 LEU 57 3HD2 LEU 57 -5.325 -3.507 -8.215 413 H GLN 58 H GLN 58 -1.693 -0.906 -12.781 414 HA GLN 58 HA GLN 58 -2.843 -1.895 -15.033 415 HB2 GLN 58 1HB GLN 58 -0.210 -0.512 -14.621 416 HB3 GLN 58 2HB GLN 58 -0.721 -1.000 -16.231 417 HG2 GLN 58 1HG GLN 58 -2.629 0.558 -14.579 418 HG3 GLN 58 2HG GLN 58 -1.236 1.398 -15.260 419 HE21 GLN 58 1HE2 GLN 58 -4.371 0.618 -15.783 420 HE22 GLN 58 2HE2 GLN 58 -4.422 0.737 -17.506 421 H LEU 59 H LEU 59 0.527 -2.656 -14.130 422 HA LEU 59 HA LEU 59 1.042 -4.588 -16.011 423 HB2 LEU 59 1HB LEU 59 1.964 -4.714 -13.146 424 HB3 LEU 59 2HB LEU 59 2.757 -5.423 -14.552 425 HG LEU 59 HG LEU 59 2.413 -2.453 -14.190 426 HD11 LEU 59 1HD1 LEU 59 4.059 -4.180 -12.675 427 HD12 LEU 59 2HD1 LEU 59 4.043 -2.417 -12.692 428 HD13 LEU 59 3HD1 LEU 59 5.100 -3.300 -13.794 429 HD21 LEU 59 1HD2 LEU 59 4.310 -2.412 -15.800 430 HD22 LEU 59 2HD2 LEU 59 2.825 -3.095 -16.462 431 HD23 LEU 59 3HD2 LEU 59 4.144 -4.160 -15.973 432 H TRP 60 H TRP 60 -0.719 -4.910 -12.985 433 HA TRP 60 HA TRP 60 -0.906 -7.750 -13.053 434 HB2 TRP 60 1HB TRP 60 -1.293 -6.979 -10.922 435 HB3 TRP 60 2HB TRP 60 -2.170 -5.557 -11.481 436 HD1 TRP 60 HD TRP 60 -4.777 -5.727 -11.651 437 HE1 TRP 60 1HE TRP 60 -6.488 -7.536 -11.000 438 HE3 TRP 60 3HE TRP 60 -1.566 -9.616 -10.817 439 HZ2 TRP 60 2HZ TRP 60 -6.478 -10.253 -10.234 440 HZ3 TRP 60 3HZ TRP 60 -2.498 -11.787 -10.128 441 HH2 TRP 60 HH TRP 60 -4.903 -12.097 -9.842 442 H LEU 61 H LEU 61 -3.012 -5.121 -14.128 443 HA LEU 61 HA LEU 61 -5.167 -6.799 -14.914 444 HB2 LEU 61 1HB LEU 61 -4.406 -3.955 -15.354 445 HB3 LEU 61 2HB LEU 61 -5.651 -4.662 -16.382 446 HG LEU 61 HG LEU 61 -5.785 -4.597 -13.370 447 HD11 LEU 61 1HD1 LEU 61 -7.278 -2.819 -15.280 448 HD12 LEU 61 2HD1 LEU 61 -5.782 -2.334 -14.483 449 HD13 LEU 61 3HD1 LEU 61 -7.208 -2.717 -13.521 450 HD21 LEU 61 1HD2 LEU 61 -7.916 -5.131 -15.436 451 HD22 LEU 61 2HD2 LEU 61 -8.099 -5.194 -13.683 452 HD23 LEU 61 3HD2 LEU 61 -7.079 -6.375 -14.506 453 H ASP 62 H ASP 62 -2.163 -5.963 -16.351 454 HA ASP 62 HA ASP 62 -3.025 -6.742 -19.026 455 HB2 ASP 62 1HB ASP 62 -0.544 -5.509 -17.883 456 HB3 ASP 62 2HB ASP 62 -0.472 -6.307 -19.452 457 H ASN 63 H ASN 63 -1.225 -7.974 -16.309 458 HA ASN 63 HA ASN 63 -0.931 -10.530 -17.729 459 HB2 ASN 63 1HB ASN 63 1.230 -9.040 -17.409 460 HB3 ASN 63 2HB ASN 63 1.180 -9.705 -15.779 461 HD21 ASN 63 1HD2 ASN 63 3.148 -10.770 -16.196 462 HD22 ASN 63 2HD2 ASN 63 3.199 -12.216 -17.139 463 HA PRO 64 HA PRO 64 -2.865 -10.769 -13.417 464 HB2 PRO 64 1HB PRO 64 -5.331 -11.585 -14.208 465 HB3 PRO 64 2HB PRO 64 -4.896 -9.882 -14.022 466 HG2 PRO 64 1HG PRO 64 -5.029 -11.543 -16.509 467 HG3 PRO 64 2HG PRO 64 -5.593 -9.883 -16.241 468 HD2 PRO 64 1HD PRO 64 -3.254 -10.443 -17.484 469 HD3 PRO 64 2HD PRO 64 -3.482 -8.992 -16.488 470 H LYS 65 H LYS 65 -1.886 -12.680 -15.898 471 HA LYS 65 HA LYS 65 -3.018 -15.185 -14.999 472 HB2 LYS 65 1HB LYS 65 -1.424 -16.146 -16.720 473 HB3 LYS 65 2HB LYS 65 -2.651 -15.048 -17.337 474 HG2 LYS 65 1HG LYS 65 -1.142 -13.464 -17.920 475 HG3 LYS 65 2HG LYS 65 -0.045 -13.863 -16.596 476 HD2 LYS 65 1HD LYS 65 1.044 -14.504 -18.607 477 HD3 LYS 65 2HD LYS 65 0.494 -15.991 -17.832 478 HE2 LYS 65 1HE LYS 65 -1.380 -16.141 -19.323 479 HE3 LYS 65 2HE LYS 65 -1.022 -14.556 -20.006 480 HZ1 LYS 65 1HZ LYS 65 -0.291 -16.574 -21.325 481 HZ2 LYS 65 2HZ LYS 65 0.911 -16.788 -20.155 482 HZ3 LYS 65 3HZ LYS 65 0.871 -15.370 -21.076 483 H ILE 66 H ILE 66 -0.474 -13.217 -14.046 484 HA ILE 66 HA ILE 66 0.696 -15.420 -12.506 485 HB ILE 66 HB ILE 66 2.935 -14.798 -12.954 486 HG12 ILE 66 1HG1 ILE 66 1.951 -12.510 -14.664 487 HG13 ILE 66 2HG1 ILE 66 2.431 -12.318 -12.982 488 HG21 ILE 66 1HG2 ILE 66 2.013 -16.200 -14.669 489 HG22 ILE 66 2HG2 ILE 66 1.344 -14.804 -15.513 490 HG23 ILE 66 3HG2 ILE 66 3.091 -15.027 -15.425 491 HD11 ILE 66 1HD1 ILE 66 4.635 -12.531 -13.446 492 HD12 ILE 66 2HD1 ILE 66 4.360 -13.629 -14.799 493 HD13 ILE 66 3HD1 ILE 66 4.093 -11.897 -14.999 494 H GLN 67 H GLN 67 1.677 -14.797 -10.536 495 HA GLN 67 HA GLN 67 0.400 -12.645 -9.220 496 HB2 GLN 67 1HB GLN 67 1.514 -13.345 -7.282 497 HB3 GLN 67 2HB GLN 67 1.326 -14.822 -8.218 498 HG2 GLN 67 1HG GLN 67 3.816 -13.151 -7.979 499 HG3 GLN 67 2HG GLN 67 3.528 -14.732 -7.253 500 HE21 GLN 67 1HE2 GLN 67 5.015 -13.194 -9.725 501 HE22 GLN 67 2HE2 GLN 67 5.131 -14.493 -10.857 502 H LEU 68 H LEU 68 1.096 -10.631 -8.664 503 HA LEU 68 HA LEU 68 3.478 -9.666 -10.064 504 HB2 LEU 68 1HB LEU 68 1.240 -8.563 -10.356 505 HB3 LEU 68 2HB LEU 68 1.352 -8.047 -8.675 506 HG LEU 68 HG LEU 68 3.413 -6.783 -9.264 507 HD11 LEU 68 1HD1 LEU 68 4.028 -8.103 -11.245 508 HD12 LEU 68 2HD1 LEU 68 3.937 -6.376 -11.592 509 HD13 LEU 68 3HD1 LEU 68 2.631 -7.447 -12.099 510 HD21 LEU 68 1HD2 LEU 68 1.841 -5.350 -11.050 511 HD22 LEU 68 2HD2 LEU 68 1.899 -5.154 -9.298 512 HD23 LEU 68 3HD2 LEU 68 0.685 -6.206 -10.028 513 H THR 69 H THR 69 5.189 -10.152 -8.766 514 HA THR 69 HA THR 69 5.157 -9.802 -5.933 515 HB THR 69 HB THR 69 7.488 -10.375 -5.967 516 HG1 THR 69 1HG THR 69 8.690 -10.355 -7.855 517 HG21 THR 69 1HG2 THR 69 5.779 -12.154 -6.502 518 HG22 THR 69 2HG2 THR 69 7.425 -12.502 -7.031 519 HG23 THR 69 3HG2 THR 69 6.220 -11.956 -8.197 520 H PHE 70 H PHE 70 6.867 -8.427 -4.843 521 HA PHE 70 HA PHE 70 6.392 -5.709 -5.452 522 HB2 PHE 70 1HB PHE 70 6.802 -6.078 -3.195 523 HB3 PHE 70 2HB PHE 70 8.155 -7.159 -3.513 524 HD1 PHE 70 1HD PHE 70 10.367 -6.289 -3.962 525 HD2 PHE 70 2HD PHE 70 7.095 -3.682 -3.175 526 HE1 PHE 70 1HE PHE 70 11.939 -4.432 -3.593 527 HE2 PHE 70 2HE PHE 70 8.662 -1.822 -2.806 528 HZ PHE 70 HZ PHE 70 11.087 -2.195 -3.016 529 H GLU 71 H GLU 71 9.187 -7.822 -5.953 530 HA GLU 71 HA GLU 71 11.023 -5.942 -6.848 531 HB2 GLU 71 1HB GLU 71 10.635 -8.847 -7.544 532 HB3 GLU 71 2HB GLU 71 11.965 -7.902 -8.200 533 HG2 GLU 71 1HG GLU 71 13.008 -8.786 -6.398 534 HG3 GLU 71 2HG GLU 71 12.345 -7.335 -5.648 535 H ALA 72 H ALA 72 9.041 -8.058 -8.931 536 HA ALA 72 HA ALA 72 9.589 -6.994 -11.375 537 HB1 ALA 72 1HB ALA 72 6.742 -7.471 -11.141 538 HB2 ALA 72 2HB ALA 72 7.963 -8.350 -12.062 539 HB3 ALA 72 3HB ALA 72 7.690 -8.740 -10.364 540 H THR 73 H THR 73 6.849 -5.933 -9.346 541 HA THR 73 HA THR 73 5.971 -3.819 -10.863 542 HB THR 73 HB THR 73 6.091 -3.878 -7.841 543 HG1 THR 73 1HG THR 73 5.012 -5.700 -8.721 544 HG21 THR 73 1HG2 THR 73 3.810 -2.590 -9.124 545 HG22 THR 73 2HG2 THR 73 5.343 -1.794 -9.482 546 HG23 THR 73 3HG2 THR 73 4.837 -2.021 -7.808 547 H LEU 74 H LEU 74 8.601 -3.841 -8.493 548 HA LEU 74 HA LEU 74 9.146 -1.071 -8.594 549 HB2 LEU 74 1HB LEU 74 10.077 -2.055 -6.751 550 HB3 LEU 74 2HB LEU 74 10.575 -3.494 -7.638 551 HG LEU 74 HG LEU 74 12.336 -1.986 -8.729 552 HD11 LEU 74 1HD1 LEU 74 12.477 -0.285 -6.396 553 HD12 LEU 74 2HD1 LEU 74 10.988 -0.024 -7.303 554 HD13 LEU 74 3HD1 LEU 74 12.549 0.136 -8.107 555 HD21 LEU 74 1HD2 LEU 74 13.852 -2.750 -7.226 556 HD22 LEU 74 2HD2 LEU 74 12.460 -3.680 -6.671 557 HD23 LEU 74 3HD2 LEU 74 12.920 -2.197 -5.834 558 H GLN 75 H GLN 75 10.749 -3.828 -10.184 559 HA GLN 75 HA GLN 75 12.651 -2.434 -11.627 560 HB2 GLN 75 1HB GLN 75 11.146 -4.954 -12.327 561 HB3 GLN 75 2HB GLN 75 12.506 -4.352 -13.265 562 HG2 GLN 75 1HG GLN 75 13.757 -4.391 -10.993 563 HG3 GLN 75 2HG GLN 75 12.466 -5.490 -10.508 564 HE21 GLN 75 1HE2 GLN 75 15.143 -5.001 -12.698 565 HE22 GLN 75 2HE2 GLN 75 15.346 -6.661 -13.130 566 H GLN 76 H GLN 76 9.385 -3.367 -12.703 567 HA GLN 76 HA GLN 76 9.510 -2.095 -15.202 568 HB2 GLN 76 1HB GLN 76 7.097 -2.692 -13.482 569 HB3 GLN 76 2HB GLN 76 7.042 -2.251 -15.183 570 HG2 GLN 76 1HG GLN 76 7.947 -4.272 -15.870 571 HG3 GLN 76 2HG GLN 76 8.618 -4.623 -14.278 572 HE21 GLN 76 1HE2 GLN 76 6.928 -4.852 -12.526 573 HE22 GLN 76 2HE2 GLN 76 5.514 -5.758 -12.933 574 H LEU 77 H LEU 77 8.592 -0.925 -12.019 575 HA LEU 77 HA LEU 77 7.405 1.495 -12.757 576 HB2 LEU 77 1HB LEU 77 8.682 0.405 -10.325 577 HB3 LEU 77 2HB LEU 77 8.549 2.160 -10.420 578 HG LEU 77 HG LEU 77 6.130 0.468 -10.887 579 HD11 LEU 77 1HD1 LEU 77 5.638 0.595 -8.473 580 HD12 LEU 77 2HD1 LEU 77 7.269 1.205 -8.195 581 HD13 LEU 77 3HD1 LEU 77 7.034 -0.422 -8.834 582 HD21 LEU 77 1HD2 LEU 77 6.769 3.262 -10.523 583 HD22 LEU 77 2HD2 LEU 77 5.556 2.722 -9.362 584 HD23 LEU 77 3HD2 LEU 77 5.277 2.511 -11.091 585 H GLU 78 H GLU 78 8.303 3.682 -12.489 586 HA GLU 78 HA GLU 78 11.165 3.836 -13.148 587 HB2 GLU 78 1HB GLU 78 10.664 5.626 -14.773 588 HB3 GLU 78 2HB GLU 78 9.946 4.087 -15.230 589 HG2 GLU 78 1HG GLU 78 7.783 4.825 -14.430 590 HG3 GLU 78 2HG GLU 78 8.484 6.346 -13.881 591 H ALA 79 H ALA 79 12.224 5.111 -11.793 592 HA ALA 79 HA ALA 79 11.196 6.446 -9.645 593 HB1 ALA 79 1HB ALA 79 13.356 7.961 -10.043 594 HB2 ALA 79 2HB ALA 79 13.451 6.300 -9.458 595 HB3 ALA 79 3HB ALA 79 13.727 6.651 -11.164 596 HA PRO 80 HA PRO 80 12.159 8.452 -8.535 597 HB2 PRO 80 1HB PRO 80 10.506 10.004 -7.043 598 HB3 PRO 80 2HB PRO 80 11.843 10.662 -7.994 599 HG2 PRO 80 1HG PRO 80 8.927 10.544 -8.657 600 HG3 PRO 80 2HG PRO 80 10.074 11.876 -8.890 601 HD2 PRO 80 1HD PRO 80 9.326 10.228 -10.905 602 HD3 PRO 80 2HD PRO 80 10.942 10.958 -10.818 603 H TYR 81 H TYR 81 9.056 7.694 -9.670 604 HA TYR 81 HA TYR 81 7.589 6.819 -7.557 605 HB2 TYR 81 1HB TYR 81 7.949 5.153 -10.048 606 HB3 TYR 81 2HB TYR 81 6.524 5.258 -9.020 607 HD1 TYR 81 1HD TYR 81 6.412 8.248 -8.701 608 HD2 TYR 81 2HD TYR 81 7.063 5.811 -12.127 609 HE1 TYR 81 1HE TYR 81 5.506 10.031 -10.133 610 HE2 TYR 81 2HE TYR 81 6.161 7.588 -13.569 611 HH TYR 81 HH TYR 81 5.711 10.741 -12.539 612 H ASN 82 H ASN 82 9.899 4.731 -9.303 613 HA ASN 82 HA ASN 82 9.845 2.721 -7.278 614 HB2 ASN 82 1HB ASN 82 11.185 1.480 -8.680 615 HB3 ASN 82 2HB ASN 82 10.470 2.589 -9.845 616 HD21 ASN 82 1HD2 ASN 82 11.872 3.352 -11.235 617 HD22 ASN 82 2HD2 ASN 82 13.538 3.692 -10.929 618 H SER 83 H SER 83 11.931 5.440 -8.027 619 HA SER 83 HA SER 83 14.237 5.052 -6.748 620 HB2 SER 83 1HB SER 83 13.500 7.232 -7.694 621 HB3 SER 83 2HB SER 83 12.519 7.497 -6.252 622 HG SER 83 HG SER 83 14.292 7.813 -5.077 623 H ASP 84 H ASP 84 11.243 5.934 -5.033 624 HA ASP 84 HA ASP 84 12.496 5.362 -2.473 625 HB2 ASP 84 1HB ASP 84 9.794 6.443 -3.263 626 HB3 ASP 84 2HB ASP 84 10.187 6.021 -1.599 627 H THR 85 H THR 85 12.824 3.082 -2.941 628 HA THR 85 HA THR 85 10.944 1.195 -3.575 629 HB THR 85 HB THR 85 12.264 -0.407 -2.152 630 HG1 THR 85 1HG THR 85 14.357 0.794 -1.485 631 HG21 THR 85 1HG2 THR 85 13.065 -0.343 -4.313 632 HG22 THR 85 2HG2 THR 85 14.493 0.174 -3.415 633 HG23 THR 85 3HG2 THR 85 13.477 1.368 -4.223 634 H VAL 86 H VAL 86 11.626 2.529 -0.357 635 HA VAL 86 HA VAL 86 10.052 0.993 1.251 636 HB VAL 86 HB VAL 86 11.447 3.025 1.902 637 HG11 VAL 86 1HG1 VAL 86 10.390 5.159 2.022 638 HG12 VAL 86 2HG1 VAL 86 10.220 4.577 0.365 639 HG13 VAL 86 3HG1 VAL 86 8.852 4.493 1.475 640 HG21 VAL 86 1HG2 VAL 86 10.203 1.744 3.536 641 HG22 VAL 86 2HG2 VAL 86 10.079 3.463 3.909 642 HG23 VAL 86 3HG2 VAL 86 8.727 2.627 3.145 643 H LEU 87 H LEU 87 8.976 3.700 -0.774 644 HA LEU 87 HA LEU 87 6.259 3.580 0.031 645 HB2 LEU 87 1HB LEU 87 7.578 5.463 -1.167 646 HB3 LEU 87 2HB LEU 87 7.142 4.600 -2.641 647 HG LEU 87 HG LEU 87 4.758 4.888 -2.068 648 HD11 LEU 87 1HD1 LEU 87 4.163 6.495 -0.294 649 HD12 LEU 87 2HD1 LEU 87 5.849 6.518 0.221 650 HD13 LEU 87 3HD1 LEU 87 4.913 5.027 0.335 651 HD21 LEU 87 1HD2 LEU 87 4.685 7.342 -2.462 652 HD22 LEU 87 2HD2 LEU 87 5.756 6.475 -3.563 653 HD23 LEU 87 3HD2 LEU 87 6.431 7.391 -2.215 654 H VAL 88 H VAL 88 8.044 2.210 -2.702 655 HA VAL 88 HA VAL 88 5.839 1.115 -4.061 656 HB VAL 88 HB VAL 88 8.683 0.096 -4.024 657 HG11 VAL 88 1HG1 VAL 88 6.692 -1.320 -4.969 658 HG12 VAL 88 2HG1 VAL 88 6.819 -0.205 -6.332 659 HG13 VAL 88 3HG1 VAL 88 8.205 -1.192 -5.866 660 HG21 VAL 88 1HG2 VAL 88 8.571 1.418 -6.308 661 HG22 VAL 88 2HG2 VAL 88 7.347 2.345 -5.441 662 HG23 VAL 88 3HG2 VAL 88 8.985 2.227 -4.797 663 H HIS 89 H HIS 89 7.774 -0.055 -1.384 664 HA HIS 89 HA HIS 89 6.734 -2.724 -1.452 665 HB2 HIS 89 1HB HIS 89 8.925 -2.279 -0.477 666 HB3 HIS 89 2HB HIS 89 8.196 -1.226 0.732 667 HD1 HIS 89 1HD HIS 89 9.377 -4.566 0.324 668 HD2 HIS 89 2HD HIS 89 6.236 -2.803 2.395 669 HE1 HIS 89 1HE HIS 89 8.698 -6.243 2.070 670 HE2 HIS 89 2HE HIS 89 6.741 -5.190 3.255 671 H ARG 90 H ARG 90 5.882 0.267 0.157 672 HA ARG 90 HA ARG 90 4.003 -0.946 1.955 673 HB2 ARG 90 1HB ARG 90 4.538 1.917 1.166 674 HB3 ARG 90 2HB ARG 90 3.287 1.462 2.314 675 HG2 ARG 90 1HG ARG 90 4.822 0.762 3.906 676 HG3 ARG 90 2HG ARG 90 6.117 0.586 2.719 677 HD2 ARG 90 1HD ARG 90 6.752 2.542 3.721 678 HD3 ARG 90 2HD ARG 90 5.742 3.172 2.420 679 HE ARG 90 HE ARG 90 3.968 2.939 4.399 680 HH11 ARG 90 2HH1 ARG 90 7.177 4.287 4.347 681 HH12 ARG 90 1HH1 ARG 90 6.850 5.450 5.589 682 HH21 ARG 90 2HH2 ARG 90 3.525 4.465 6.036 683 HH22 ARG 90 1HH2 ARG 90 4.772 5.549 6.550 684 H VAL 91 H VAL 91 3.773 0.910 -1.062 685 HA VAL 91 HA VAL 91 0.971 0.978 -1.224 686 HB VAL 91 HB VAL 91 3.057 1.067 -3.403 687 HG11 VAL 91 1HG1 VAL 91 0.105 1.054 -3.537 688 HG12 VAL 91 2HG1 VAL 91 0.935 2.253 -4.530 689 HG13 VAL 91 3HG1 VAL 91 1.299 0.538 -4.728 690 HG21 VAL 91 1HG2 VAL 91 1.779 3.049 -1.629 691 HG22 VAL 91 2HG2 VAL 91 3.380 3.052 -2.368 692 HG23 VAL 91 3HG2 VAL 91 1.970 3.523 -3.316 693 H HIS 92 H HIS 92 3.252 -1.169 -2.937 694 HA HIS 92 HA HIS 92 1.423 -2.821 -4.173 695 HB2 HIS 92 1HB HIS 92 3.949 -2.819 -4.432 696 HB3 HIS 92 2HB HIS 92 4.013 -3.813 -2.980 697 HD1 HIS 92 1HD HIS 92 2.938 -6.223 -3.168 698 HD2 HIS 92 2HD HIS 92 3.320 -4.158 -6.754 699 HE1 HIS 92 1HE HIS 92 2.648 -7.950 -4.973 700 HE2 HIS 92 2HE HIS 92 2.968 -6.693 -7.132 701 H SER 93 H SER 93 2.244 -2.628 -0.828 702 HA SER 93 HA SER 93 1.292 -5.229 -0.099 703 HB2 SER 93 1HB SER 93 2.950 -3.742 1.196 704 HB3 SER 93 2HB SER 93 1.524 -2.885 1.781 705 HG SER 93 HG SER 93 0.954 -4.585 2.945 706 H TYR 94 H TYR 94 0.017 -1.952 0.512 707 HA TYR 94 HA TYR 94 -2.396 -2.585 1.629 708 HB2 TYR 94 1HB TYR 94 -2.073 -0.316 1.593 709 HB3 TYR 94 2HB TYR 94 -1.437 -0.322 -0.049 710 HD1 TYR 94 2HD TYR 94 -3.048 -0.539 -1.973 711 HD2 TYR 94 1HD TYR 94 -4.347 0.160 2.018 712 HE1 TYR 94 2HE TYR 94 -5.223 0.234 -2.823 713 HE2 TYR 94 1HE TYR 94 -6.526 0.933 1.180 714 HH TYR 94 HH TYR 94 -7.132 1.341 -2.259 715 H LEU 95 H LEU 95 -1.510 -2.691 -1.770 716 HA LEU 95 HA LEU 95 -4.140 -3.130 -2.760 717 HB2 LEU 95 1HB LEU 95 -1.414 -3.640 -3.927 718 HB3 LEU 95 2HB LEU 95 -2.910 -3.946 -4.807 719 HG LEU 95 HG LEU 95 -2.246 -1.230 -3.707 720 HD11 LEU 95 1HD1 LEU 95 -1.118 -2.616 -6.050 721 HD12 LEU 95 2HD1 LEU 95 -0.473 -1.280 -5.097 722 HD13 LEU 95 3HD1 LEU 95 -1.701 -0.975 -6.325 723 HD21 LEU 95 1HD2 LEU 95 -4.240 -0.723 -4.531 724 HD22 LEU 95 2HD2 LEU 95 -4.457 -2.386 -5.076 725 HD23 LEU 95 3HD2 LEU 95 -3.694 -1.202 -6.138 726 H GLU 96 H GLU 96 -1.371 -5.380 -2.627 727 HA GLU 96 HA GLU 96 -2.829 -7.699 -3.135 728 HB2 GLU 96 1HB GLU 96 -0.399 -7.634 -3.283 729 HB3 GLU 96 2HB GLU 96 -0.277 -7.361 -1.550 730 HG2 GLU 96 1HG GLU 96 -1.690 -9.793 -2.514 731 HG3 GLU 96 2HG GLU 96 0.071 -9.744 -2.587 732 H ARG 97 H ARG 97 -1.602 -6.606 0.035 733 HA ARG 97 HA ARG 97 -2.725 -8.439 1.686 734 HB2 ARG 97 1HB ARG 97 -2.447 -5.462 2.085 735 HB3 ARG 97 2HB ARG 97 -2.958 -6.549 3.369 736 HG2 ARG 97 1HG ARG 97 -0.370 -6.852 1.869 737 HG3 ARG 97 2HG ARG 97 -0.532 -5.952 3.379 738 HD2 ARG 97 1HD ARG 97 -1.680 -8.213 4.158 739 HD3 ARG 97 2HD ARG 97 -0.666 -8.877 2.878 740 HE ARG 97 HE ARG 97 1.189 -8.469 4.170 741 HH11 ARG 97 2HH1 ARG 97 -1.566 -6.836 5.532 742 HH12 ARG 97 1HH1 ARG 97 -0.752 -6.411 7.001 743 HH21 ARG 97 2HH2 ARG 97 2.272 -7.916 6.099 744 HH22 ARG 97 1HH2 ARG 97 1.432 -7.025 7.323 745 H HIS 98 H HIS 98 -4.353 -5.538 0.435 746 HA HIS 98 HA HIS 98 -6.822 -6.012 1.723 747 HB2 HIS 98 1HB HIS 98 -5.984 -4.330 -0.622 748 HB3 HIS 98 2HB HIS 98 -7.683 -4.474 -0.184 749 HD1 HIS 98 1HD HIS 98 -8.096 -2.173 0.726 750 HD2 HIS 98 2HD HIS 98 -4.765 -3.986 2.423 751 HE1 HIS 98 1HE HIS 98 -7.391 -0.658 2.605 752 HE2 HIS 98 2HE HIS 98 -5.323 -1.732 3.562 753 H GLY 99 H GLY 99 -5.586 -6.875 -1.481 754 HA2 GLY 99 1HA GLY 99 -6.280 -9.050 -2.369 755 HA3 GLY 99 2HA GLY 99 -7.890 -8.703 -1.757 756 H LEU 100 H LEU 100 -5.826 -6.405 -3.441 757 HA LEU 100 HA LEU 100 -7.881 -6.195 -5.521 758 HB2 LEU 100 1HB LEU 100 -5.582 -4.310 -5.114 759 HB3 LEU 100 2HB LEU 100 -7.106 -4.017 -5.950 760 HG LEU 100 HG LEU 100 -6.466 -3.890 -3.054 761 HD11 LEU 100 1HD1 LEU 100 -8.188 -2.045 -3.266 762 HD12 LEU 100 2HD1 LEU 100 -8.138 -2.332 -5.005 763 HD13 LEU 100 3HD1 LEU 100 -6.681 -1.819 -4.155 764 HD21 LEU 100 1HD2 LEU 100 -8.907 -5.127 -4.184 765 HD22 LEU 100 2HD2 LEU 100 -9.127 -3.968 -2.873 766 HD23 LEU 100 3HD2 LEU 100 -8.113 -5.391 -2.632 767 H ILE 101 H ILE 101 -4.780 -7.439 -4.985 768 HA ILE 101 HA ILE 101 -4.463 -7.924 -7.854 769 HB ILE 101 HB ILE 101 -2.061 -7.463 -7.766 770 HG12 ILE 101 1HG1 ILE 101 -2.449 -6.122 -5.105 771 HG13 ILE 101 2HG1 ILE 101 -2.042 -7.832 -5.190 772 HG21 ILE 101 1HG2 ILE 101 -4.150 -5.473 -7.483 773 HG22 ILE 101 2HG2 ILE 101 -2.575 -4.861 -6.982 774 HG23 ILE 101 3HG2 ILE 101 -2.787 -5.529 -8.600 775 HD11 ILE 101 1HD1 ILE 101 -0.318 -5.603 -5.323 776 HD12 ILE 101 2HD1 ILE 101 0.090 -7.316 -5.425 777 HD13 ILE 101 3HD1 ILE 101 -0.273 -6.408 -6.892 778 H ASN 102 H ASN 102 -3.501 -9.865 -8.375 779 HA ASN 102 HA ASN 102 -2.840 -12.027 -8.120 780 HB2 ASN 102 1HB ASN 102 -1.800 -11.176 -5.411 781 HB3 ASN 102 2HB ASN 102 -1.282 -12.567 -6.361 782 HD21 ASN 102 1HD2 ASN 102 0.771 -11.297 -5.744 783 HD22 ASN 102 2HD2 ASN 102 1.340 -10.190 -6.943 784 H PHE 103 H PHE 103 -5.419 -11.802 -7.747 785 HA PHE 103 HA PHE 103 -5.999 -13.380 -5.326 786 HB2 PHE 103 1HB PHE 103 -8.351 -12.417 -5.556 787 HB3 PHE 103 2HB PHE 103 -7.099 -11.308 -5.008 788 HD1 PHE 103 1HD PHE 103 -8.328 -12.500 -8.328 789 HD2 PHE 103 2HD PHE 103 -7.353 -9.192 -5.833 790 HE1 PHE 103 1HE PHE 103 -8.903 -10.956 -10.155 791 HE2 PHE 103 2HE PHE 103 -7.928 -7.643 -7.656 792 HZ PHE 103 HZ PHE 103 -8.704 -8.524 -9.820 793 H GLY 104 H GLY 104 -5.206 -14.328 -7.975 794 HA2 GLY 104 1HA GLY 104 -7.339 -16.248 -8.332 795 HA3 GLY 104 2HA GLY 104 -7.102 -15.175 -9.704 796 H ILE 105 H ILE 105 -4.487 -14.930 -10.020 797 HA ILE 105 HA ILE 105 -3.586 -16.995 -11.453 798 HB ILE 105 HB ILE 105 -1.322 -16.300 -11.107 799 HG12 ILE 105 1HG1 ILE 105 -1.464 -16.315 -8.595 800 HG13 ILE 105 2HG1 ILE 105 -0.583 -14.948 -9.268 801 HG21 ILE 105 1HG2 ILE 105 -2.082 -13.626 -10.780 802 HG22 ILE 105 2HG2 ILE 105 -1.877 -14.508 -12.293 803 HG23 ILE 105 3HG2 ILE 105 -3.463 -14.431 -11.525 804 HD11 ILE 105 1HD1 ILE 105 -1.841 -13.737 -7.882 805 HD12 ILE 105 2HD1 ILE 105 -3.103 -13.945 -9.097 806 HD13 ILE 105 3HD1 ILE 105 -3.042 -15.016 -7.697 807 H TYR 106 H TYR 106 -3.537 -16.836 -7.945 808 HA TYR 106 HA TYR 106 -2.833 -19.688 -7.891 809 HB2 TYR 106 1HB TYR 106 -1.462 -19.292 -5.868 810 HB3 TYR 106 2HB TYR 106 -0.814 -18.479 -7.287 811 HD1 TYR 106 1HD TYR 106 -3.088 -17.805 -4.399 812 HD2 TYR 106 2HD TYR 106 -0.163 -16.271 -7.081 813 HE1 TYR 106 1HE TYR 106 -3.085 -15.675 -3.168 814 HE2 TYR 106 2HE TYR 106 -0.151 -14.138 -5.858 815 HH TYR 106 HH TYR 106 -1.527 -12.859 -4.376 816 H LYS 107 H LYS 107 -3.878 -20.911 -6.366 817 HA LYS 107 HA LYS 107 -6.378 -20.040 -5.446 818 HB2 LYS 107 1HB LYS 107 -4.655 -22.421 -4.854 819 HB3 LYS 107 2HB LYS 107 -6.126 -22.152 -3.928 820 HG2 LYS 107 1HG LYS 107 -6.307 -22.057 -6.889 821 HG3 LYS 107 2HG LYS 107 -6.103 -23.629 -6.112 822 HD2 LYS 107 1HD LYS 107 -8.388 -23.480 -6.129 823 HD3 LYS 107 2HD LYS 107 -8.042 -22.737 -4.566 824 HE2 LYS 107 1HE LYS 107 -8.352 -20.561 -5.421 825 HE3 LYS 107 2HE LYS 107 -8.292 -21.124 -7.090 826 HZ1 LYS 107 1HZ LYS 107 -10.557 -20.584 -6.234 827 HZ2 LYS 107 2HZ LYS 107 -10.427 -21.906 -5.187 828 HZ3 LYS 107 3HZ LYS 107 -10.400 -22.148 -6.861 829 H ARG 108 H ARG 108 -6.417 -18.287 -4.131 830 HA ARG 108 HA ARG 108 -4.695 -18.237 -1.769 831 HB2 ARG 108 1HB ARG 108 -5.234 -16.246 -3.438 832 HB3 ARG 108 2HB ARG 108 -6.627 -16.050 -2.384 833 HG2 ARG 108 1HG ARG 108 -3.940 -16.287 -1.138 834 HG3 ARG 108 2HG ARG 108 -4.373 -14.774 -1.938 835 HD2 ARG 108 1HD ARG 108 -6.224 -14.438 -0.506 836 HD3 ARG 108 2HD ARG 108 -6.141 -16.088 0.108 837 HE ARG 108 HE ARG 108 -4.452 -15.450 1.545 838 HH11 ARG 108 2HH1 ARG 108 -5.140 -12.890 -0.712 839 HH12 ARG 108 1HH1 ARG 108 -4.204 -11.709 0.143 840 HH21 ARG 108 2HH2 ARG 108 -3.216 -13.904 2.679 841 HH22 ARG 108 1HH2 ARG 108 -3.109 -12.287 2.070 842 H ILE 109 H ILE 109 -5.482 -18.128 0.328 843 HA ILE 109 HA ILE 109 -7.964 -19.479 0.783 844 HB ILE 109 HB ILE 109 -6.170 -18.151 2.816 845 HG12 ILE 109 1HG1 ILE 109 -6.139 -21.091 2.322 846 HG13 ILE 109 2HG1 ILE 109 -5.291 -20.057 1.178 847 HG21 ILE 109 1HG2 ILE 109 -8.701 -19.242 3.104 848 HG22 ILE 109 2HG2 ILE 109 -7.614 -20.519 3.645 849 HG23 ILE 109 3HG2 ILE 109 -7.540 -18.924 4.393 850 HD11 ILE 109 1HD1 ILE 109 -4.202 -19.048 3.305 851 HD12 ILE 109 2HD1 ILE 109 -4.723 -20.556 4.059 852 HD13 ILE 109 3HD1 ILE 109 -3.634 -20.594 2.673 853 H LYS 110 H LYS 110 -8.919 -17.485 -0.528 854 HA LYS 110 HA LYS 110 -10.442 -15.990 1.411 855 HB2 LYS 110 1HB LYS 110 -8.730 -14.398 1.320 856 HB3 LYS 110 2HB LYS 110 -8.442 -14.666 -0.394 857 HG2 LYS 110 1HG LYS 110 -10.135 -13.290 -1.040 858 HG3 LYS 110 2HG LYS 110 -11.089 -13.596 0.413 859 HD2 LYS 110 1HD LYS 110 -8.523 -12.015 0.401 860 HD3 LYS 110 2HD LYS 110 -10.122 -11.285 0.239 861 HE2 LYS 110 1HE LYS 110 -10.722 -12.439 2.408 862 HE3 LYS 110 2HE LYS 110 -9.009 -12.817 2.579 863 HZ1 LYS 110 1HZ LYS 110 -10.354 -10.412 3.179 864 HZ2 LYS 110 2HZ LYS 110 -9.179 -10.111 2.000 865 HZ3 LYS 110 3HZ LYS 110 -8.739 -10.824 3.470 866 HA PRO 111 HA PRO 111 -13.413 -16.759 -1.776 867 HB2 PRO 111 1HB PRO 111 -15.442 -15.303 -0.712 868 HB3 PRO 111 2HB PRO 111 -14.959 -16.881 -0.081 869 HG2 PRO 111 1HG PRO 111 -14.267 -14.147 0.923 870 HG3 PRO 111 2HG PRO 111 -14.736 -15.590 1.841 871 HD2 PRO 111 1HD PRO 111 -12.160 -14.793 1.594 872 HD3 PRO 111 2HD PRO 111 -12.622 -16.502 1.728 873 H LEU 112 H LEU 112 -14.892 -15.475 -3.203 874 HA LEU 112 HA LEU 112 -14.554 -12.670 -3.482 875 HB2 LEU 112 1HB LEU 112 -13.422 -12.824 -5.743 876 HB3 LEU 112 2HB LEU 112 -12.408 -13.070 -4.323 877 HG LEU 112 HG LEU 112 -12.721 -15.571 -4.750 878 HD11 LEU 112 1HD1 LEU 112 -13.913 -16.276 -6.483 879 HD12 LEU 112 2HD1 LEU 112 -13.048 -15.207 -7.586 880 HD13 LEU 112 3HD1 LEU 112 -14.459 -14.615 -6.711 881 HD21 LEU 112 1HD2 LEU 112 -11.159 -15.099 -6.974 882 HD22 LEU 112 2HD2 LEU 112 -10.599 -15.170 -5.303 883 HD23 LEU 112 3HD2 LEU 112 -10.998 -13.615 -6.034 884 HA PRO 113 HA PRO 113 -18.215 -13.151 -5.854 885 HB2 PRO 113 1HB PRO 113 -18.087 -10.991 -7.494 886 HB3 PRO 113 2HB PRO 113 -18.438 -10.865 -5.766 887 HG2 PRO 113 1HG PRO 113 -15.853 -10.427 -7.211 888 HG3 PRO 113 2HG PRO 113 -16.580 -9.473 -5.905 889 HD2 PRO 113 1HD PRO 113 -14.597 -11.264 -5.471 890 HD3 PRO 113 2HD PRO 113 -15.862 -10.931 -4.271 891 H THR 114 H THR 114 -19.026 -13.095 -8.200 892 HA THR 114 HA THR 114 -17.457 -14.935 -9.714 893 HB THR 114 HB THR 114 -19.924 -15.000 -9.724 894 HG1 THR 114 1HG THR 114 -19.968 -15.656 -11.789 895 HG21 THR 114 1HG2 THR 114 -20.729 -13.165 -11.587 896 HG22 THR 114 2HG2 THR 114 -19.567 -12.240 -10.636 897 HG23 THR 114 3HG2 THR 114 -20.946 -13.002 -9.845 898 H LYS 115 H LYS 115 -16.513 -14.656 -11.750 899 HA LYS 115 HA LYS 115 -15.250 -12.134 -12.159 900 HB2 LYS 115 1HB LYS 115 -15.267 -14.747 -13.637 901 HB3 LYS 115 2HB LYS 115 -14.515 -13.328 -14.354 902 HG2 LYS 115 1HG LYS 115 -12.715 -14.267 -13.319 903 HG3 LYS 115 2HG LYS 115 -13.290 -13.201 -12.035 904 HD2 LYS 115 1HD LYS 115 -14.093 -14.936 -10.767 905 HD3 LYS 115 2HD LYS 115 -14.367 -15.975 -12.168 906 HE2 LYS 115 1HE LYS 115 -11.572 -15.219 -11.467 907 HE3 LYS 115 2HE LYS 115 -12.391 -16.432 -10.484 908 HZ1 LYS 115 1HZ LYS 115 -11.080 -17.327 -12.387 909 HZ2 LYS 115 2HZ LYS 115 -12.186 -16.596 -13.438 910 HZ3 LYS 115 3HZ LYS 115 -12.703 -17.805 -12.374 911 H LYS 116 H LYS 116 -15.190 -11.253 -14.517 912 HA LYS 116 HA LYS 116 -17.687 -10.114 -15.072 913 HB2 LYS 116 1HB LYS 116 -15.267 -9.384 -15.749 914 HB3 LYS 116 2HB LYS 116 -15.575 -10.350 -17.186 915 HG2 LYS 116 1HG LYS 116 -16.141 -8.145 -17.760 916 HG3 LYS 116 2HG LYS 116 -17.675 -8.977 -17.499 917 HD2 LYS 116 1HD LYS 116 -17.972 -6.968 -16.369 918 HD3 LYS 116 2HD LYS 116 -17.485 -8.075 -15.083 919 HE2 LYS 116 1HE LYS 116 -16.256 -6.056 -14.790 920 HE3 LYS 116 2HE LYS 116 -15.135 -7.270 -15.406 921 HZ1 LYS 116 1HZ LYS 116 -16.470 -5.186 -17.049 922 HZ2 LYS 116 2HZ LYS 116 -15.346 -6.322 -17.604 923 HZ3 LYS 116 3HZ LYS 116 -14.867 -5.125 -16.510 924 H THR 117 H THR 117 -19.360 -11.446 -15.519 925 HA THR 117 HA THR 117 -19.172 -13.777 -17.123 926 HB THR 117 HB THR 117 -20.947 -13.583 -15.484 927 HG1 THR 117 1HG THR 117 -22.055 -14.790 -16.811 928 HG21 THR 117 1HG2 THR 117 -22.433 -11.874 -15.328 929 HG22 THR 117 2HG2 THR 117 -22.508 -11.637 -17.074 930 HG23 THR 117 3HG2 THR 117 -21.150 -10.991 -16.154 931 H GLY 118 H GLY 118 -20.104 -10.439 -17.787 932 HA2 GLY 118 1HA GLY 118 -19.431 -9.759 -20.119 933 HA3 GLY 118 2HA GLY 118 -20.361 -11.155 -20.641 934 H SER 119 H SER 119 -20.468 -7.870 -19.610 935 HA SER 119 HA SER 119 -23.012 -7.424 -20.735 936 HB2 SER 119 1HB SER 119 -23.827 -8.609 -18.750 937 HB3 SER 119 2HB SER 119 -22.944 -7.495 -17.707 938 HG SER 119 HG SER 119 -24.318 -5.896 -19.104 939 H GLY 120 H GLY 120 -23.601 -5.214 -20.740 940 HA2 GLY 120 1HA GLY 120 -21.376 -3.444 -19.976 941 HA3 GLY 120 2HA GLY 120 -22.555 -3.110 -21.235 942 HA PRO 121 HA PRO 121 -24.892 -0.671 -18.448 943 HB2 PRO 121 1HB PRO 121 -27.427 -1.125 -19.307 944 HB3 PRO 121 2HB PRO 121 -26.264 -0.155 -20.218 945 HG2 PRO 121 1HG PRO 121 -27.060 -3.015 -20.604 946 HG3 PRO 121 2HG PRO 121 -26.805 -1.751 -21.821 947 HD2 PRO 121 1HD PRO 121 -24.945 -3.641 -21.271 948 HD3 PRO 121 2HD PRO 121 -24.513 -1.995 -21.776 949 H SER 122 H SER 122 -24.454 -1.819 -16.503 950 HA SER 122 HA SER 122 -25.652 -4.155 -15.630 951 HB2 SER 122 1HB SER 122 -24.849 -1.746 -13.980 952 HB3 SER 122 2HB SER 122 -25.172 -3.355 -13.335 953 HG SER 122 HG SER 122 -23.278 -3.022 -15.384 954 H SER 123 H SER 123 -26.752 -0.812 -15.089 955 HA SER 123 HA SER 123 -29.352 -1.860 -14.218 956 HB2 SER 123 1HB SER 123 -27.914 0.738 -13.778 957 HB3 SER 123 2HB SER 123 -29.668 0.663 -13.609 958 HG SER 123 HG SER 123 -27.971 0.079 -11.775 959 H GLY 124 H GLY 124 -27.946 0.600 -16.372 960 HA2 GLY 124 1HA GLY 124 -30.292 1.485 -17.577 961 HA3 GLY 124 2HA GLY 124 -28.711 1.490 -18.345 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -19.128 11.452 -3.953 2 HA2 GLY 1 1HA GLY 1 -19.386 13.201 -1.583 3 HA3 GLY 1 2HA GLY 1 -18.594 13.718 -3.064 4 H SER 2 H SER 2 -19.838 15.260 -3.911 5 HA SER 2 HA SER 2 -22.737 15.038 -3.784 6 HB2 SER 2 1HB SER 2 -22.774 17.325 -4.592 7 HB3 SER 2 2HB SER 2 -21.598 17.201 -3.283 8 HG SER 2 HG SER 2 -20.044 17.647 -4.638 9 H SER 3 H SER 3 -20.171 15.236 -6.218 10 HA SER 3 HA SER 3 -21.766 13.722 -8.080 11 HB2 SER 3 1HB SER 3 -22.306 16.312 -8.256 12 HB3 SER 3 2HB SER 3 -20.807 16.327 -9.185 13 HG SER 3 HG SER 3 -23.275 15.318 -9.840 14 H GLY 4 H GLY 4 -20.557 13.011 -9.934 15 HA2 GLY 4 1HA GLY 4 -18.299 13.328 -11.065 16 HA3 GLY 4 2HA GLY 4 -17.648 13.117 -9.446 17 H SER 5 H SER 5 -19.858 11.474 -11.710 18 HA SER 5 HA SER 5 -19.187 8.897 -10.579 19 HB2 SER 5 1HB SER 5 -20.734 8.044 -12.383 20 HB3 SER 5 2HB SER 5 -21.469 9.187 -11.259 21 HG SER 5 HG SER 5 -21.912 9.592 -13.523 22 H SER 6 H SER 6 -18.656 10.631 -13.621 23 HA SER 6 HA SER 6 -16.430 8.803 -14.188 24 HB2 SER 6 1HB SER 6 -18.785 9.397 -15.916 25 HB3 SER 6 2HB SER 6 -17.214 9.237 -16.700 26 HG SER 6 HG SER 6 -17.491 7.172 -16.528 27 H GLY 7 H GLY 7 -14.909 9.697 -15.820 28 HA2 GLY 7 1HA GLY 7 -14.845 12.254 -16.807 29 HA3 GLY 7 2HA GLY 7 -14.276 12.412 -15.152 30 H GLU 8 H GLU 8 -12.750 10.217 -14.769 31 HA GLU 8 HA GLU 8 -10.439 10.834 -16.384 32 HB2 GLU 8 1HB GLU 8 -9.255 9.284 -14.879 33 HB3 GLU 8 2HB GLU 8 -10.156 10.506 -13.993 34 HG2 GLU 8 1HG GLU 8 -12.013 8.646 -13.972 35 HG3 GLU 8 2HG GLU 8 -10.627 7.582 -14.206 36 H GLU 9 H GLU 9 -10.502 10.012 -18.397 37 HA GLU 9 HA GLU 9 -11.766 7.749 -19.305 38 HB2 GLU 9 1HB GLU 9 -9.358 9.253 -20.247 39 HB3 GLU 9 2HB GLU 9 -9.786 7.742 -21.037 40 HG2 GLU 9 1HG GLU 9 -11.778 8.583 -21.860 41 HG3 GLU 9 2HG GLU 9 -11.834 9.886 -20.673 42 HA PRO 10 HA PRO 10 -9.598 4.328 -17.575 43 HB2 PRO 10 1HB PRO 10 -10.325 2.426 -19.371 44 HB3 PRO 10 2HB PRO 10 -11.433 3.071 -18.155 45 HG2 PRO 10 1HG PRO 10 -11.172 3.787 -21.050 46 HG3 PRO 10 2HG PRO 10 -12.640 3.532 -20.088 47 HD2 PRO 10 1HD PRO 10 -11.693 6.000 -20.676 48 HD3 PRO 10 2HD PRO 10 -12.552 5.642 -19.164 49 H SER 11 H SER 11 -8.648 5.943 -20.264 50 HA SER 11 HA SER 11 -6.734 4.001 -21.255 51 HB2 SER 11 1HB SER 11 -6.192 5.619 -22.935 52 HB3 SER 11 2HB SER 11 -7.944 5.649 -22.744 53 HG SER 11 HG SER 11 -7.675 7.702 -22.413 54 H GLY 12 H GLY 12 -4.622 3.900 -20.751 55 HA2 GLY 12 1HA GLY 12 -2.542 4.641 -19.986 56 HA3 GLY 12 2HA GLY 12 -3.291 6.148 -19.480 57 H VAL 13 H VAL 13 -1.704 5.515 -17.655 58 HA VAL 13 HA VAL 13 -2.295 3.461 -15.852 59 HB VAL 13 HB VAL 13 -1.050 6.155 -15.288 60 HG11 VAL 13 1HG1 VAL 13 -1.733 5.286 -13.203 61 HG12 VAL 13 2HG1 VAL 13 -1.237 3.649 -13.636 62 HG13 VAL 13 3HG1 VAL 13 -0.020 4.892 -13.347 63 HG21 VAL 13 1HG2 VAL 13 0.170 3.479 -15.956 64 HG22 VAL 13 2HG2 VAL 13 0.197 4.932 -16.954 65 HG23 VAL 13 3HG2 VAL 13 1.078 4.895 -15.427 66 H GLU 14 H GLU 14 -3.283 6.883 -15.783 67 HA GLU 14 HA GLU 14 -4.713 6.963 -13.458 68 HB2 GLU 14 1HB GLU 14 -5.597 8.234 -16.054 69 HB3 GLU 14 2HB GLU 14 -6.034 8.753 -14.433 70 HG2 GLU 14 1HG GLU 14 -4.382 10.241 -14.858 71 HG3 GLU 14 2HG GLU 14 -3.413 8.939 -14.172 72 H GLY 15 H GLY 15 -5.949 5.934 -16.636 73 HA2 GLY 15 1HA GLY 15 -8.559 5.446 -16.173 74 HA3 GLY 15 2HA GLY 15 -7.563 4.342 -17.110 75 H ALA 16 H ALA 16 -5.936 3.264 -15.178 76 HA ALA 16 HA ALA 16 -7.264 1.121 -14.208 77 HB1 ALA 16 1HB ALA 16 -5.321 2.008 -12.244 78 HB2 ALA 16 2HB ALA 16 -5.302 0.591 -13.295 79 HB3 ALA 16 3HB ALA 16 -4.717 2.143 -13.895 80 H ALA 17 H ALA 17 -6.544 3.968 -12.175 81 HA ALA 17 HA ALA 17 -7.779 3.446 -9.876 82 HB1 ALA 17 1HB ALA 17 -8.773 5.999 -10.493 83 HB2 ALA 17 2HB ALA 17 -7.302 5.596 -9.607 84 HB3 ALA 17 3HB ALA 17 -7.240 5.841 -11.352 85 H PHE 18 H PHE 18 -9.430 4.009 -12.916 86 HA PHE 18 HA PHE 18 -12.001 4.504 -12.242 87 HB2 PHE 18 1HB PHE 18 -11.451 4.248 -14.546 88 HB3 PHE 18 2HB PHE 18 -10.937 2.581 -14.309 89 HD1 PHE 18 2HD PHE 18 -13.867 4.821 -14.403 90 HD2 PHE 18 1HD PHE 18 -12.476 0.798 -14.412 91 HE1 PHE 18 2HE PHE 18 -16.124 4.046 -15.002 92 HE2 PHE 18 1HE PHE 18 -14.731 0.017 -15.013 93 HZ PHE 18 HZ PHE 18 -16.558 1.641 -15.307 94 H GLN 19 H GLN 19 -10.645 1.209 -12.432 95 HA GLN 19 HA GLN 19 -12.658 -0.372 -11.699 96 HB2 GLN 19 1HB GLN 19 -11.100 -1.831 -10.554 97 HB3 GLN 19 2HB GLN 19 -10.317 -1.127 -11.963 98 HG2 GLN 19 1HG GLN 19 -8.970 0.262 -10.678 99 HG3 GLN 19 2HG GLN 19 -10.002 0.106 -9.258 100 HE21 GLN 19 1HE2 GLN 19 -9.285 -1.177 -7.724 101 HE22 GLN 19 2HE2 GLN 19 -8.158 -2.472 -7.920 102 H SER 20 H SER 20 -11.050 1.900 -9.559 103 HA SER 20 HA SER 20 -12.992 1.219 -7.450 104 HB2 SER 20 1HB SER 20 -10.165 2.245 -7.303 105 HB3 SER 20 2HB SER 20 -11.279 2.439 -5.949 106 HG SER 20 HG SER 20 -10.527 0.511 -5.483 107 H ARG 21 H ARG 21 -14.129 2.853 -6.433 108 HA ARG 21 HA ARG 21 -14.541 5.228 -7.997 109 HB2 ARG 21 1HB ARG 21 -15.765 4.164 -5.460 110 HB3 ARG 21 2HB ARG 21 -16.168 5.757 -6.086 111 HG2 ARG 21 1HG ARG 21 -16.413 3.328 -7.815 112 HG3 ARG 21 2HG ARG 21 -17.686 3.766 -6.674 113 HD2 ARG 21 1HD ARG 21 -17.420 6.129 -7.805 114 HD3 ARG 21 2HD ARG 21 -16.761 5.173 -9.132 115 HE ARG 21 HE ARG 21 -18.872 4.409 -9.584 116 HH11 ARG 21 2HH1 ARG 21 -18.835 5.863 -6.422 117 HH12 ARG 21 1HH1 ARG 21 -20.554 5.787 -6.223 118 HH21 ARG 21 2HH2 ARG 21 -21.137 4.303 -9.335 119 HH22 ARG 21 1HH2 ARG 21 -21.863 4.898 -7.880 120 H LEU 22 H LEU 22 -11.955 5.308 -7.203 121 HA LEU 22 HA LEU 22 -11.960 7.485 -5.223 122 HB2 LEU 22 1HB LEU 22 -9.950 6.717 -4.251 123 HB3 LEU 22 2HB LEU 22 -11.035 5.331 -4.332 124 HG LEU 22 HG LEU 22 -9.696 4.912 -6.595 125 HD11 LEU 22 1HD1 LEU 22 -7.220 5.447 -5.570 126 HD12 LEU 22 2HD1 LEU 22 -8.125 6.896 -5.136 127 HD13 LEU 22 3HD1 LEU 22 -8.033 6.387 -6.822 128 HD21 LEU 22 1HD2 LEU 22 -7.962 3.853 -4.699 129 HD22 LEU 22 2HD2 LEU 22 -9.400 3.080 -5.369 130 HD23 LEU 22 3HD2 LEU 22 -9.508 3.990 -3.861 131 HA PRO 23 HA PRO 23 -9.935 9.839 -8.344 132 HB2 PRO 23 1HB PRO 23 -8.741 11.703 -6.773 133 HB3 PRO 23 2HB PRO 23 -10.480 11.687 -7.092 134 HG2 PRO 23 1HG PRO 23 -8.982 10.675 -4.706 135 HG3 PRO 23 2HG PRO 23 -10.493 11.600 -4.768 136 HD2 PRO 23 1HD PRO 23 -10.441 8.921 -4.382 137 HD3 PRO 23 2HD PRO 23 -11.763 9.736 -5.242 138 H HIS 24 H HIS 24 -7.921 10.150 -9.284 139 HA HIS 24 HA HIS 24 -5.760 8.559 -8.117 140 HB2 HIS 24 1HB HIS 24 -4.985 8.186 -10.248 141 HB3 HIS 24 2HB HIS 24 -6.695 8.428 -10.593 142 HD1 HIS 24 1HD HIS 24 -3.344 9.862 -11.204 143 HD2 HIS 24 2HD HIS 24 -7.312 10.945 -11.790 144 HE1 HIS 24 1HE HIS 24 -3.282 11.804 -12.801 145 HE2 HIS 24 2HE HIS 24 -5.689 12.496 -13.073 146 H ASP 25 H ASP 25 -6.687 11.803 -8.664 147 HA ASP 25 HA ASP 25 -4.015 12.891 -8.661 148 HB2 ASP 25 1HB ASP 25 -5.962 13.973 -9.825 149 HB3 ASP 25 2HB ASP 25 -6.625 14.356 -8.239 150 H ARG 26 H ARG 26 -6.534 12.241 -6.332 151 HA ARG 26 HA ARG 26 -4.740 13.207 -4.206 152 HB2 ARG 26 1HB ARG 26 -6.666 13.921 -2.911 153 HB3 ARG 26 2HB ARG 26 -6.673 14.718 -4.479 154 HG2 ARG 26 1HG ARG 26 -8.248 12.797 -5.187 155 HG3 ARG 26 2HG ARG 26 -8.465 12.560 -3.452 156 HD2 ARG 26 1HD ARG 26 -10.199 14.005 -4.048 157 HD3 ARG 26 2HD ARG 26 -8.970 15.069 -3.367 158 HE ARG 26 HE ARG 26 -8.376 15.170 -5.967 159 HH11 ARG 26 2HH1 ARG 26 -11.419 15.444 -4.300 160 HH12 ARG 26 1HH1 ARG 26 -12.122 16.494 -5.484 161 HH21 ARG 26 2HH2 ARG 26 -9.290 16.553 -7.534 162 HH22 ARG 26 1HH2 ARG 26 -10.911 17.124 -7.324 163 H MET 27 H MET 27 -5.348 12.214 -2.032 164 HA MET 27 HA MET 27 -5.723 9.337 -2.445 165 HB2 MET 27 1HB MET 27 -4.680 10.769 0.003 166 HB3 MET 27 2HB MET 27 -4.642 9.037 -0.298 167 HG2 MET 27 1HG MET 27 -2.972 9.225 -1.902 168 HG3 MET 27 2HG MET 27 -3.270 10.944 -2.146 169 HE1 MET 27 1HE MET 27 -2.426 9.413 1.808 170 HE2 MET 27 2HE MET 27 -2.638 8.365 0.405 171 HE3 MET 27 3HE MET 27 -1.017 8.721 1.004 172 H THR 28 H THR 28 -6.866 8.149 -0.673 173 HA THR 28 HA THR 28 -9.247 9.670 0.162 174 HB THR 28 HB THR 28 -10.383 7.426 0.264 175 HG1 THR 28 1HG THR 28 -7.877 6.598 -0.247 176 HG21 THR 28 1HG2 THR 28 -9.488 7.632 -2.536 177 HG22 THR 28 2HG2 THR 28 -10.095 9.127 -1.823 178 HG23 THR 28 3HG2 THR 28 -11.114 7.688 -1.858 179 H SER 29 H SER 29 -10.377 8.504 2.092 180 HA SER 29 HA SER 29 -8.924 8.900 4.379 181 HB2 SER 29 1HB SER 29 -11.437 8.532 4.152 182 HB3 SER 29 2HB SER 29 -11.090 6.804 4.197 183 HG SER 29 HG SER 29 -10.889 8.720 6.215 184 H GLN 30 H GLN 30 -9.241 5.922 2.515 185 HA GLN 30 HA GLN 30 -7.908 4.230 4.340 186 HB2 GLN 30 1HB GLN 30 -8.657 4.095 1.464 187 HB3 GLN 30 2HB GLN 30 -7.429 2.974 2.035 188 HG2 GLN 30 1HG GLN 30 -9.009 2.225 3.794 189 HG3 GLN 30 2HG GLN 30 -10.239 3.258 3.069 190 HE21 GLN 30 1HE2 GLN 30 -7.801 1.059 1.725 191 HE22 GLN 30 2HE2 GLN 30 -8.915 0.113 0.804 192 H GLU 31 H GLU 31 -6.658 5.304 1.178 193 HA GLU 31 HA GLU 31 -4.024 4.660 1.534 194 HB2 GLU 31 1HB GLU 31 -5.259 6.970 0.040 195 HB3 GLU 31 2HB GLU 31 -3.539 6.612 -0.031 196 HG2 GLU 31 1HG GLU 31 -5.049 5.712 -1.889 197 HG3 GLU 31 2HG GLU 31 -3.867 4.621 -1.170 198 H ALA 32 H ALA 32 -5.667 7.608 2.588 199 HA ALA 32 HA ALA 32 -3.391 8.979 3.516 200 HB1 ALA 32 1HB ALA 32 -5.884 9.458 4.992 201 HB2 ALA 32 2HB ALA 32 -4.837 10.585 4.129 202 HB3 ALA 32 3HB ALA 32 -6.010 9.614 3.239 203 H ALA 33 H ALA 33 -5.596 6.716 5.101 204 HA ALA 33 HA ALA 33 -4.454 6.987 7.694 205 HB1 ALA 33 1HB ALA 33 -6.517 5.357 6.426 206 HB2 ALA 33 2HB ALA 33 -5.630 4.514 7.696 207 HB3 ALA 33 3HB ALA 33 -6.446 6.036 8.052 208 H CYS 34 H CYS 34 -3.962 4.728 5.017 209 HA CYS 34 HA CYS 34 -2.154 3.040 6.426 210 HB2 CYS 34 1HB CYS 34 -3.509 2.476 4.328 211 HB3 CYS 34 2HB CYS 34 -2.274 3.351 3.430 212 HG CYS 34 HG CYS 34 -0.273 1.574 4.775 213 H PHE 35 H PHE 35 -1.770 5.799 4.258 214 HA PHE 35 HA PHE 35 1.089 5.859 4.970 215 HB2 PHE 35 1HB PHE 35 -0.116 6.845 2.377 216 HB3 PHE 35 2HB PHE 35 1.595 6.777 2.789 217 HD1 PHE 35 2HD PHE 35 -1.392 4.661 2.205 218 HD2 PHE 35 1HD PHE 35 2.857 4.870 2.335 219 HE1 PHE 35 2HE PHE 35 -1.255 2.402 1.242 220 HE2 PHE 35 1HE PHE 35 3.001 2.611 1.371 221 HZ PHE 35 HZ PHE 35 0.943 1.374 0.824 222 HA PRO 36 HA PRO 36 -0.693 9.710 6.665 223 HB2 PRO 36 1HB PRO 36 1.130 9.912 8.666 224 HB3 PRO 36 2HB PRO 36 -0.318 8.905 8.783 225 HG2 PRO 36 1HG PRO 36 2.493 8.112 8.125 226 HG3 PRO 36 2HG PRO 36 1.323 7.306 9.186 227 HD2 PRO 36 1HD PRO 36 1.816 6.470 6.658 228 HD3 PRO 36 2HD PRO 36 0.222 6.310 7.423 229 H ASP 37 H ASP 37 2.773 8.970 6.304 230 HA ASP 37 HA ASP 37 3.707 11.594 6.159 231 HB2 ASP 37 1HB ASP 37 4.770 9.042 4.944 232 HB3 ASP 37 2HB ASP 37 5.639 10.573 4.874 233 H ILE 38 H ILE 38 2.509 9.449 3.616 234 HA ILE 38 HA ILE 38 3.113 11.117 1.430 235 HB ILE 38 HB ILE 38 0.897 9.081 1.690 236 HG12 ILE 38 1HG1 ILE 38 3.012 8.016 2.070 237 HG13 ILE 38 2HG1 ILE 38 2.523 7.636 0.423 238 HG21 ILE 38 1HG2 ILE 38 2.106 9.754 -0.927 239 HG22 ILE 38 2HG2 ILE 38 0.456 9.280 -0.527 240 HG23 ILE 38 3HG2 ILE 38 0.996 10.931 -0.225 241 HD11 ILE 38 1HD1 ILE 38 4.023 9.390 -0.405 242 HD12 ILE 38 2HD1 ILE 38 4.539 9.708 1.252 243 HD13 ILE 38 3HD1 ILE 38 4.877 8.146 0.508 244 H ILE 39 H ILE 39 0.016 10.627 3.133 245 HA ILE 39 HA ILE 39 -1.419 12.604 1.766 246 HB ILE 39 HB ILE 39 -2.513 10.899 3.140 247 HG12 ILE 39 1HG1 ILE 39 -4.055 12.511 4.431 248 HG13 ILE 39 2HG1 ILE 39 -3.025 13.792 3.802 249 HG21 ILE 39 1HG2 ILE 39 -1.355 12.420 5.471 250 HG22 ILE 39 2HG2 ILE 39 -2.556 11.135 5.593 251 HG23 ILE 39 3HG2 ILE 39 -0.943 10.779 4.976 252 HD11 ILE 39 1HD1 ILE 39 -5.221 12.559 2.561 253 HD12 ILE 39 2HD1 ILE 39 -4.138 13.782 1.896 254 HD13 ILE 39 3HD1 ILE 39 -3.785 12.070 1.661 255 H SER 40 H SER 40 0.566 12.774 4.678 256 HA SER 40 HA SER 40 -0.019 15.604 5.015 257 HB2 SER 40 1HB SER 40 1.763 13.739 6.601 258 HB3 SER 40 2HB SER 40 1.431 15.419 7.021 259 HG SER 40 HG SER 40 -0.246 14.657 8.015 260 H GLY 41 H GLY 41 1.279 14.898 2.591 261 HA2 GLY 41 1HA GLY 41 3.852 16.290 2.993 262 HA3 GLY 41 2HA GLY 41 3.721 14.907 1.916 263 HA PRO 42 HA PRO 42 3.051 18.899 -0.448 264 HB2 PRO 42 1HB PRO 42 5.055 18.506 -2.236 265 HB3 PRO 42 2HB PRO 42 5.295 19.325 -0.688 266 HG2 PRO 42 1HG PRO 42 5.886 16.489 -1.443 267 HG3 PRO 42 2HG PRO 42 6.867 17.621 -0.495 268 HD2 PRO 42 1HD PRO 42 5.353 15.691 0.652 269 HD3 PRO 42 2HD PRO 42 5.650 17.259 1.429 270 H GLN 43 H GLN 43 1.991 19.047 -2.405 271 HA GLN 43 HA GLN 43 0.426 17.092 -3.362 272 HB2 GLN 43 1HB GLN 43 0.317 19.405 -4.158 273 HB3 GLN 43 2HB GLN 43 1.803 19.173 -5.068 274 HG2 GLN 43 1HG GLN 43 0.584 17.338 -6.317 275 HG3 GLN 43 2HG GLN 43 -0.890 17.951 -5.568 276 HE21 GLN 43 1HE2 GLN 43 -1.933 19.527 -6.567 277 HE22 GLN 43 2HE2 GLN 43 -1.302 20.507 -7.842 278 H GLN 44 H GLN 44 3.718 17.731 -4.541 279 HA GLN 44 HA GLN 44 3.882 15.827 -6.528 280 HB2 GLN 44 1HB GLN 44 5.627 17.524 -5.976 281 HB3 GLN 44 2HB GLN 44 6.097 16.537 -4.598 282 HG2 GLN 44 1HG GLN 44 6.527 14.671 -6.239 283 HG3 GLN 44 2HG GLN 44 6.332 15.870 -7.516 284 HE21 GLN 44 1HE2 GLN 44 8.348 14.689 -4.977 285 HE22 GLN 44 2HE2 GLN 44 9.729 15.667 -5.328 286 H THR 45 H THR 45 4.934 15.384 -3.146 287 HA THR 45 HA THR 45 5.606 12.735 -3.200 288 HB THR 45 HB THR 45 4.157 14.172 -0.969 289 HG1 THR 45 1HG THR 45 6.800 13.711 -0.605 290 HG21 THR 45 1HG2 THR 45 6.003 11.924 -0.418 291 HG22 THR 45 2HG2 THR 45 4.427 11.507 -1.090 292 HG23 THR 45 3HG2 THR 45 4.531 12.413 0.419 293 H GLN 46 H GLN 46 2.363 14.001 -2.417 294 HA GLN 46 HA GLN 46 1.022 11.618 -2.110 295 HB2 GLN 46 1HB GLN 46 0.035 14.204 -3.319 296 HB3 GLN 46 2HB GLN 46 -1.016 12.868 -2.867 297 HG2 GLN 46 1HG GLN 46 -0.326 13.084 -0.548 298 HG3 GLN 46 2HG GLN 46 0.775 14.389 -0.986 299 HE21 GLN 46 1HE2 GLN 46 -1.402 14.467 0.890 300 HE22 GLN 46 2HE2 GLN 46 -2.506 15.671 0.328 301 H LYS 47 H LYS 47 1.502 13.437 -5.128 302 HA LYS 47 HA LYS 47 0.134 11.685 -6.825 303 HB2 LYS 47 1HB LYS 47 2.456 13.538 -7.370 304 HB3 LYS 47 2HB LYS 47 1.572 12.689 -8.631 305 HG2 LYS 47 1HG LYS 47 -0.510 13.815 -7.771 306 HG3 LYS 47 2HG LYS 47 0.546 14.810 -6.766 307 HD2 LYS 47 1HD LYS 47 0.921 14.579 -9.740 308 HD3 LYS 47 2HD LYS 47 -0.166 15.770 -9.021 309 HE2 LYS 47 1HE LYS 47 1.735 17.023 -9.132 310 HE3 LYS 47 2HE LYS 47 1.971 16.287 -7.547 311 HZ1 LYS 47 1HZ LYS 47 3.625 14.953 -8.308 312 HZ2 LYS 47 2HZ LYS 47 3.837 16.245 -9.378 313 HZ3 LYS 47 3HZ LYS 47 3.006 14.859 -9.880 314 H VAL 48 H VAL 48 3.576 11.803 -5.952 315 HA VAL 48 HA VAL 48 4.560 9.795 -7.559 316 HB VAL 48 HB VAL 48 5.354 10.364 -4.700 317 HG11 VAL 48 1HG1 VAL 48 7.450 9.303 -5.210 318 HG12 VAL 48 2HG1 VAL 48 6.141 8.177 -5.577 319 HG13 VAL 48 3HG1 VAL 48 6.957 9.039 -6.882 320 HG21 VAL 48 1HG2 VAL 48 6.927 11.336 -7.016 321 HG22 VAL 48 2HG2 VAL 48 5.410 12.163 -6.663 322 HG23 VAL 48 3HG2 VAL 48 6.669 12.069 -5.432 323 H PHE 49 H PHE 49 2.869 9.501 -4.472 324 HA PHE 49 HA PHE 49 3.170 6.642 -4.373 325 HB2 PHE 49 1HB PHE 49 2.987 7.480 -2.233 326 HB3 PHE 49 2HB PHE 49 1.820 8.712 -2.700 327 HD1 PHE 49 1HD PHE 49 -0.553 8.068 -3.084 328 HD2 PHE 49 2HD PHE 49 2.297 5.374 -1.429 329 HE1 PHE 49 1HE PHE 49 -2.383 6.656 -2.239 330 HE2 PHE 49 2HE PHE 49 0.472 3.957 -0.583 331 HZ PHE 49 HZ PHE 49 -1.871 4.597 -0.989 332 H LEU 50 H LEU 50 0.517 8.898 -5.058 333 HA LEU 50 HA LEU 50 -1.493 6.997 -5.473 334 HB2 LEU 50 1HB LEU 50 -1.071 9.785 -6.493 335 HB3 LEU 50 2HB LEU 50 -2.477 8.837 -6.973 336 HG LEU 50 HG LEU 50 -1.809 9.434 -4.098 337 HD11 LEU 50 1HD1 LEU 50 -3.352 11.259 -4.167 338 HD12 LEU 50 2HD1 LEU 50 -3.742 10.933 -5.855 339 HD13 LEU 50 3HD1 LEU 50 -2.137 11.519 -5.419 340 HD21 LEU 50 1HD2 LEU 50 -4.561 8.958 -5.056 341 HD22 LEU 50 2HD2 LEU 50 -3.768 8.439 -3.569 342 HD23 LEU 50 3HD2 LEU 50 -3.472 7.570 -5.076 343 H PHE 51 H PHE 51 1.265 7.698 -7.321 344 HA PHE 51 HA PHE 51 0.115 6.659 -9.796 345 HB2 PHE 51 1HB PHE 51 1.525 8.585 -10.081 346 HB3 PHE 51 2HB PHE 51 2.821 7.840 -9.151 347 HD1 PHE 51 1HD PHE 51 3.724 5.579 -10.116 348 HD2 PHE 51 2HD PHE 51 1.604 8.496 -12.377 349 HE1 PHE 51 1HE PHE 51 4.690 4.670 -12.188 350 HE2 PHE 51 2HE PHE 51 2.566 7.591 -14.453 351 HZ PHE 51 HZ PHE 51 4.111 5.675 -14.361 352 H ILE 52 H ILE 52 2.458 5.826 -7.310 353 HA ILE 52 HA ILE 52 3.573 3.565 -8.560 354 HB ILE 52 HB ILE 52 3.286 4.278 -5.645 355 HG12 ILE 52 1HG1 ILE 52 5.853 4.117 -7.181 356 HG13 ILE 52 2HG1 ILE 52 4.816 5.526 -7.381 357 HG21 ILE 52 1HG2 ILE 52 5.340 2.404 -5.924 358 HG22 ILE 52 2HG2 ILE 52 3.785 2.178 -5.124 359 HG23 ILE 52 3HG2 ILE 52 3.973 1.746 -6.823 360 HD11 ILE 52 1HD1 ILE 52 5.064 6.160 -5.145 361 HD12 ILE 52 2HD1 ILE 52 5.701 4.583 -4.679 362 HD13 ILE 52 3HD1 ILE 52 6.677 5.672 -5.663 363 H ARG 53 H ARG 53 0.753 3.955 -6.467 364 HA ARG 53 HA ARG 53 0.196 1.168 -6.259 365 HB2 ARG 53 1HB ARG 53 -1.853 1.820 -5.200 366 HB3 ARG 53 2HB ARG 53 -0.590 2.907 -4.640 367 HG2 ARG 53 1HG ARG 53 -1.490 4.716 -5.677 368 HG3 ARG 53 2HG ARG 53 -2.179 3.759 -6.990 369 HD2 ARG 53 1HD ARG 53 -3.993 3.053 -5.654 370 HD3 ARG 53 2HD ARG 53 -3.218 3.617 -4.174 371 HE ARG 53 HE ARG 53 -3.932 5.762 -4.638 372 HH11 ARG 53 2HH1 ARG 53 -4.529 3.679 -7.363 373 HH12 ARG 53 1HH1 ARG 53 -5.531 4.827 -8.187 374 HH21 ARG 53 2HH2 ARG 53 -5.250 7.282 -5.713 375 HH22 ARG 53 1HH2 ARG 53 -5.940 6.877 -7.249 376 H ASN 54 H ASN 54 -0.683 3.695 -8.504 377 HA ASN 54 HA ASN 54 -2.827 2.319 -9.760 378 HB2 ASN 54 1HB ASN 54 -1.185 4.730 -10.356 379 HB3 ASN 54 2HB ASN 54 -2.053 3.991 -11.699 380 HD21 ASN 54 1HD2 ASN 54 -2.346 6.540 -10.084 381 HD22 ASN 54 2HD2 ASN 54 -4.022 6.575 -9.666 382 H ARG 55 H ARG 55 0.611 2.703 -10.571 383 HA ARG 55 HA ARG 55 0.547 1.202 -12.952 384 HB2 ARG 55 1HB ARG 55 2.388 2.767 -12.061 385 HB3 ARG 55 2HB ARG 55 2.947 1.373 -11.146 386 HG2 ARG 55 1HG ARG 55 4.220 1.519 -13.158 387 HG3 ARG 55 2HG ARG 55 3.147 0.123 -13.283 388 HD2 ARG 55 1HD ARG 55 1.789 1.143 -14.847 389 HD3 ARG 55 2HD ARG 55 2.262 2.767 -14.350 390 HE ARG 55 HE ARG 55 4.552 1.827 -15.352 391 HH11 ARG 55 2HH1 ARG 55 1.299 1.750 -16.589 392 HH12 ARG 55 1HH1 ARG 55 1.791 1.781 -18.250 393 HH21 ARG 55 2HH2 ARG 55 5.212 1.868 -17.535 394 HH22 ARG 55 1HH2 ARG 55 4.017 1.847 -18.787 395 H THR 56 H THR 56 0.934 0.289 -9.588 396 HA THR 56 HA THR 56 1.847 -2.340 -9.958 397 HB THR 56 HB THR 56 0.168 -1.205 -7.713 398 HG1 THR 56 1HG THR 56 2.441 -0.426 -8.245 399 HG21 THR 56 1HG2 THR 56 0.991 -3.906 -8.271 400 HG22 THR 56 2HG2 THR 56 0.006 -3.291 -6.944 401 HG23 THR 56 3HG2 THR 56 1.763 -3.325 -6.796 402 H LEU 57 H LEU 57 -1.375 -0.951 -10.025 403 HA LEU 57 HA LEU 57 -2.669 -3.534 -10.154 404 HB2 LEU 57 1HB LEU 57 -3.580 -0.691 -10.193 405 HB3 LEU 57 2HB LEU 57 -4.672 -1.960 -10.744 406 HG LEU 57 HG LEU 57 -3.383 -2.057 -8.032 407 HD11 LEU 57 1HD1 LEU 57 -4.817 -0.591 -7.141 408 HD12 LEU 57 2HD1 LEU 57 -6.157 -1.141 -8.146 409 HD13 LEU 57 3HD1 LEU 57 -4.991 0.015 -8.788 410 HD21 LEU 57 1HD2 LEU 57 -5.962 -3.226 -9.066 411 HD22 LEU 57 2HD2 LEU 57 -5.192 -3.541 -7.510 412 HD23 LEU 57 3HD2 LEU 57 -4.430 -4.097 -9.001 413 H GLN 58 H GLN 58 -1.884 -0.887 -12.356 414 HA GLN 58 HA GLN 58 -3.269 -1.669 -14.611 415 HB2 GLN 58 1HB GLN 58 -0.715 -0.195 -14.162 416 HB3 GLN 58 2HB GLN 58 -1.119 -0.685 -15.802 417 HG2 GLN 58 1HG GLN 58 -3.048 0.840 -14.089 418 HG3 GLN 58 2HG GLN 58 -1.811 1.647 -15.053 419 HE21 GLN 58 1HE2 GLN 58 -1.741 0.595 -17.384 420 HE22 GLN 58 2HE2 GLN 58 -3.278 0.548 -18.171 421 H LEU 59 H LEU 59 0.139 -2.469 -13.910 422 HA LEU 59 HA LEU 59 0.514 -4.263 -15.996 423 HB2 LEU 59 1HB LEU 59 1.773 -4.495 -13.273 424 HB3 LEU 59 2HB LEU 59 2.424 -5.069 -14.807 425 HG LEU 59 HG LEU 59 1.943 -2.146 -14.410 426 HD11 LEU 59 1HD1 LEU 59 4.655 -2.887 -13.803 427 HD12 LEU 59 2HD1 LEU 59 3.535 -3.628 -12.660 428 HD13 LEU 59 3HD1 LEU 59 3.534 -1.879 -12.887 429 HD21 LEU 59 1HD2 LEU 59 3.171 -1.926 -16.269 430 HD22 LEU 59 2HD2 LEU 59 2.843 -3.642 -16.508 431 HD23 LEU 59 3HD2 LEU 59 4.351 -3.129 -15.749 432 H TRP 60 H TRP 60 -0.890 -4.757 -12.816 433 HA TRP 60 HA TRP 60 -0.987 -7.601 -12.980 434 HB2 TRP 60 1HB TRP 60 -1.136 -6.931 -10.786 435 HB3 TRP 60 2HB TRP 60 -2.116 -5.520 -11.172 436 HD1 TRP 60 HD TRP 60 -4.752 -5.831 -11.231 437 HE1 TRP 60 1HE TRP 60 -6.302 -7.703 -10.386 438 HE3 TRP 60 3HE TRP 60 -1.269 -9.501 -10.498 439 HZ2 TRP 60 2HZ TRP 60 -6.079 -10.382 -9.523 440 HZ3 TRP 60 3HZ TRP 60 -2.020 -11.689 -9.661 441 HH2 TRP 60 HH TRP 60 -4.375 -12.118 -9.184 442 H LEU 61 H LEU 61 -3.151 -4.997 -13.892 443 HA LEU 61 HA LEU 61 -5.428 -6.641 -14.366 444 HB2 LEU 61 1HB LEU 61 -4.645 -3.839 -14.973 445 HB3 LEU 61 2HB LEU 61 -5.984 -4.541 -15.879 446 HG LEU 61 HG LEU 61 -5.885 -4.404 -12.869 447 HD11 LEU 61 1HD1 LEU 61 -7.691 -2.607 -13.338 448 HD12 LEU 61 2HD1 LEU 61 -6.898 -2.465 -14.907 449 HD13 LEU 61 3HD1 LEU 61 -5.986 -2.164 -13.428 450 HD21 LEU 61 1HD2 LEU 61 -7.965 -5.307 -12.860 451 HD22 LEU 61 2HD2 LEU 61 -7.380 -6.044 -14.352 452 HD23 LEU 61 3HD2 LEU 61 -8.399 -4.606 -14.419 453 H ASP 62 H ASP 62 -2.636 -5.739 -16.230 454 HA ASP 62 HA ASP 62 -3.775 -6.698 -18.722 455 HB2 ASP 62 1HB ASP 62 -2.047 -4.742 -18.345 456 HB3 ASP 62 2HB ASP 62 -0.872 -6.053 -18.406 457 H ASN 63 H ASN 63 -1.600 -7.782 -16.212 458 HA ASN 63 HA ASN 63 -1.472 -10.404 -17.536 459 HB2 ASN 63 1HB ASN 63 0.695 -8.841 -17.496 460 HB3 ASN 63 2HB ASN 63 0.859 -9.551 -15.893 461 HD21 ASN 63 1HD2 ASN 63 0.381 -12.029 -15.961 462 HD22 ASN 63 2HD2 ASN 63 1.245 -12.889 -17.185 463 HA PRO 64 HA PRO 64 -2.824 -10.444 -12.993 464 HB2 PRO 64 1HB PRO 64 -5.388 -11.233 -13.407 465 HB3 PRO 64 2HB PRO 64 -4.904 -9.534 -13.344 466 HG2 PRO 64 1HG PRO 64 -5.407 -11.272 -15.729 467 HG3 PRO 64 2HG PRO 64 -5.901 -9.593 -15.444 468 HD2 PRO 64 1HD PRO 64 -3.766 -10.243 -16.977 469 HD3 PRO 64 2HD PRO 64 -3.830 -8.755 -16.011 470 H LYS 65 H LYS 65 -2.271 -12.459 -15.539 471 HA LYS 65 HA LYS 65 -3.284 -14.906 -14.376 472 HB2 LYS 65 1HB LYS 65 -2.149 -15.994 -16.293 473 HB3 LYS 65 2HB LYS 65 -3.259 -14.723 -16.787 474 HG2 LYS 65 1HG LYS 65 -1.596 -13.370 -17.547 475 HG3 LYS 65 2HG LYS 65 -0.412 -13.991 -16.394 476 HD2 LYS 65 1HD LYS 65 -0.578 -16.183 -17.745 477 HD3 LYS 65 2HD LYS 65 -1.320 -15.180 -18.994 478 HE2 LYS 65 1HE LYS 65 1.383 -14.692 -17.745 479 HE3 LYS 65 2HE LYS 65 1.112 -15.457 -19.310 480 HZ1 LYS 65 1HZ LYS 65 0.418 -13.489 -20.250 481 HZ2 LYS 65 2HZ LYS 65 1.629 -12.947 -19.201 482 HZ3 LYS 65 3HZ LYS 65 0.002 -12.784 -18.769 483 H ILE 66 H ILE 66 -0.795 -12.967 -13.585 484 HA ILE 66 HA ILE 66 0.698 -15.192 -12.407 485 HB ILE 66 HB ILE 66 2.832 -14.372 -13.046 486 HG12 ILE 66 1HG1 ILE 66 1.428 -12.046 -14.380 487 HG13 ILE 66 2HG1 ILE 66 2.285 -11.959 -12.845 488 HG21 ILE 66 1HG2 ILE 66 1.076 -15.416 -14.837 489 HG22 ILE 66 2HG2 ILE 66 1.617 -13.967 -15.683 490 HG23 ILE 66 3HG2 ILE 66 2.794 -15.164 -15.146 491 HD11 ILE 66 1HD1 ILE 66 3.308 -11.635 -15.456 492 HD12 ILE 66 2HD1 ILE 66 4.170 -11.557 -13.919 493 HD13 ILE 66 3HD1 ILE 66 4.029 -13.093 -14.774 494 H GLN 67 H GLN 67 1.814 -14.677 -10.496 495 HA GLN 67 HA GLN 67 0.611 -12.633 -8.931 496 HB2 GLN 67 1HB GLN 67 1.803 -13.501 -7.126 497 HB3 GLN 67 2HB GLN 67 1.596 -14.898 -8.174 498 HG2 GLN 67 1HG GLN 67 4.071 -13.195 -7.987 499 HG3 GLN 67 2HG GLN 67 3.847 -14.780 -7.249 500 HE21 GLN 67 1HE2 GLN 67 5.155 -13.210 -9.807 501 HE22 GLN 67 2HE2 GLN 67 5.232 -14.509 -10.943 502 H LEU 68 H LEU 68 1.257 -10.612 -8.488 503 HA LEU 68 HA LEU 68 3.607 -9.603 -9.885 504 HB2 LEU 68 1HB LEU 68 1.282 -8.521 -9.904 505 HB3 LEU 68 2HB LEU 68 1.670 -7.971 -8.275 506 HG LEU 68 HG LEU 68 3.614 -6.749 -9.183 507 HD11 LEU 68 1HD1 LEU 68 2.571 -7.828 -11.785 508 HD12 LEU 68 2HD1 LEU 68 4.199 -7.948 -11.119 509 HD13 LEU 68 3HD1 LEU 68 3.595 -6.394 -11.695 510 HD21 LEU 68 1HD2 LEU 68 0.902 -6.097 -9.365 511 HD22 LEU 68 2HD2 LEU 68 1.615 -5.581 -10.894 512 HD23 LEU 68 3HD2 LEU 68 2.273 -4.987 -9.368 513 H THR 69 H THR 69 5.415 -10.046 -8.744 514 HA THR 69 HA THR 69 5.523 -9.880 -5.883 515 HB THR 69 HB THR 69 7.877 -10.402 -6.091 516 HG1 THR 69 1HG THR 69 8.818 -10.518 -8.203 517 HG21 THR 69 1HG2 THR 69 6.510 -12.001 -8.240 518 HG22 THR 69 2HG2 THR 69 6.076 -12.163 -6.539 519 HG23 THR 69 3HG2 THR 69 7.716 -12.535 -7.070 520 H PHE 70 H PHE 70 7.248 -8.545 -4.801 521 HA PHE 70 HA PHE 70 6.748 -5.813 -5.224 522 HB2 PHE 70 1HB PHE 70 7.352 -6.364 -3.034 523 HB3 PHE 70 2HB PHE 70 8.727 -7.332 -3.554 524 HD1 PHE 70 2HD PHE 70 7.485 -3.885 -3.132 525 HD2 PHE 70 1HD PHE 70 10.865 -6.374 -3.838 526 HE1 PHE 70 2HE PHE 70 8.974 -1.964 -2.753 527 HE2 PHE 70 1HE PHE 70 12.360 -4.456 -3.460 528 HZ PHE 70 HZ PHE 70 11.415 -2.248 -2.917 529 H GLU 71 H GLU 71 9.530 -7.843 -6.056 530 HA GLU 71 HA GLU 71 11.229 -5.862 -7.023 531 HB2 GLU 71 1HB GLU 71 10.921 -8.785 -7.545 532 HB3 GLU 71 2HB GLU 71 11.980 -7.853 -8.594 533 HG2 GLU 71 1HG GLU 71 12.282 -7.619 -5.641 534 HG3 GLU 71 2HG GLU 71 12.916 -9.040 -6.470 535 H ALA 72 H ALA 72 9.143 -7.995 -8.983 536 HA ALA 72 HA ALA 72 9.465 -6.892 -11.445 537 HB1 ALA 72 1HB ALA 72 7.602 -8.615 -10.239 538 HB2 ALA 72 2HB ALA 72 6.667 -7.387 -11.094 539 HB3 ALA 72 3HB ALA 72 7.869 -8.343 -11.962 540 H THR 73 H THR 73 6.874 -5.899 -9.197 541 HA THR 73 HA THR 73 5.849 -3.779 -10.599 542 HB THR 73 HB THR 73 6.236 -3.847 -7.600 543 HG1 THR 73 1HG THR 73 5.120 -5.683 -8.224 544 HG21 THR 73 1HG2 THR 73 4.820 -2.043 -9.436 545 HG22 THR 73 2HG2 THR 73 5.369 -1.775 -7.781 546 HG23 THR 73 3HG2 THR 73 3.851 -2.621 -8.081 547 H LEU 74 H LEU 74 8.667 -3.779 -8.453 548 HA LEU 74 HA LEU 74 9.166 -1.001 -8.583 549 HB2 LEU 74 1HB LEU 74 10.184 -2.139 -6.816 550 HB3 LEU 74 2HB LEU 74 10.832 -3.389 -7.876 551 HG LEU 74 HG LEU 74 12.276 -1.456 -8.844 552 HD11 LEU 74 1HD1 LEU 74 11.646 0.509 -7.921 553 HD12 LEU 74 2HD1 LEU 74 12.791 0.017 -6.673 554 HD13 LEU 74 3HD1 LEU 74 11.063 -0.245 -6.437 555 HD21 LEU 74 1HD2 LEU 74 13.444 -1.880 -6.279 556 HD22 LEU 74 2HD2 LEU 74 13.857 -2.627 -7.823 557 HD23 LEU 74 3HD2 LEU 74 12.631 -3.361 -6.788 558 H GLN 75 H GLN 75 10.641 -3.732 -10.331 559 HA GLN 75 HA GLN 75 12.414 -2.313 -11.911 560 HB2 GLN 75 1HB GLN 75 10.869 -4.836 -12.501 561 HB3 GLN 75 2HB GLN 75 12.132 -4.215 -13.555 562 HG2 GLN 75 1HG GLN 75 13.568 -4.256 -11.378 563 HG3 GLN 75 2HG GLN 75 12.349 -5.407 -10.834 564 HE21 GLN 75 1HE2 GLN 75 14.985 -4.826 -12.986 565 HE22 GLN 75 2HE2 GLN 75 15.143 -6.444 -13.571 566 H GLN 76 H GLN 76 9.025 -3.130 -12.596 567 HA GLN 76 HA GLN 76 8.939 -1.882 -15.130 568 HB2 GLN 76 1HB GLN 76 6.689 -2.462 -13.196 569 HB3 GLN 76 2HB GLN 76 6.488 -2.029 -14.889 570 HG2 GLN 76 1HG GLN 76 7.298 -4.063 -15.641 571 HG3 GLN 76 2HG GLN 76 8.126 -4.407 -14.123 572 HE21 GLN 76 1HE2 GLN 76 6.628 -4.624 -12.207 573 HE22 GLN 76 2HE2 GLN 76 5.174 -5.522 -12.461 574 H LEU 77 H LEU 77 8.325 -0.733 -11.865 575 HA LEU 77 HA LEU 77 7.063 1.676 -12.402 576 HB2 LEU 77 1HB LEU 77 8.742 0.615 -10.214 577 HB3 LEU 77 2HB LEU 77 8.571 2.368 -10.289 578 HG LEU 77 HG LEU 77 6.158 0.588 -10.304 579 HD11 LEU 77 1HD1 LEU 77 8.051 0.920 -8.142 580 HD12 LEU 77 2HD1 LEU 77 6.650 -0.144 -8.264 581 HD13 LEU 77 3HD1 LEU 77 6.449 1.518 -7.710 582 HD21 LEU 77 1HD2 LEU 77 5.897 3.012 -8.839 583 HD22 LEU 77 2HD2 LEU 77 5.092 2.532 -10.334 584 HD23 LEU 77 3HD2 LEU 77 6.639 3.378 -10.397 585 H GLU 78 H GLU 78 7.970 3.879 -12.271 586 HA GLU 78 HA GLU 78 10.669 4.068 -13.425 587 HB2 GLU 78 1HB GLU 78 9.875 5.865 -14.914 588 HB3 GLU 78 2HB GLU 78 9.084 4.330 -15.246 589 HG2 GLU 78 1HG GLU 78 7.113 5.066 -14.023 590 HG3 GLU 78 2HG GLU 78 7.905 6.597 -13.654 591 H ALA 79 H ALA 79 11.938 5.291 -12.213 592 HA ALA 79 HA ALA 79 11.300 6.606 -9.917 593 HB1 ALA 79 1HB ALA 79 13.412 7.769 -11.685 594 HB2 ALA 79 2HB ALA 79 13.421 7.529 -9.938 595 HB3 ALA 79 3HB ALA 79 13.602 6.147 -11.019 596 HA PRO 80 HA PRO 80 12.181 8.508 -8.800 597 HB2 PRO 80 1HB PRO 80 10.587 9.897 -7.096 598 HB3 PRO 80 2HB PRO 80 11.831 10.665 -8.089 599 HG2 PRO 80 1HG PRO 80 8.880 10.480 -8.558 600 HG3 PRO 80 2HG PRO 80 9.963 11.867 -8.778 601 HD2 PRO 80 1HD PRO 80 9.130 10.327 -10.844 602 HD3 PRO 80 2HD PRO 80 10.723 11.110 -10.819 603 H TYR 81 H TYR 81 9.170 7.549 -9.868 604 HA TYR 81 HA TYR 81 7.844 6.523 -7.679 605 HB2 TYR 81 1HB TYR 81 8.070 5.094 -10.330 606 HB3 TYR 81 2HB TYR 81 6.737 5.020 -9.183 607 HD1 TYR 81 1HD TYR 81 6.772 8.084 -8.635 608 HD2 TYR 81 2HD TYR 81 6.700 5.757 -12.196 609 HE1 TYR 81 1HE TYR 81 5.655 9.932 -9.812 610 HE2 TYR 81 2HE TYR 81 5.583 7.599 -13.384 611 HH TYR 81 HH TYR 81 5.165 9.883 -13.261 612 H ASN 82 H ASN 82 10.387 4.959 -9.609 613 HA ASN 82 HA ASN 82 10.467 2.666 -7.859 614 HB2 ASN 82 1HB ASN 82 12.205 1.834 -9.320 615 HB3 ASN 82 2HB ASN 82 10.906 2.498 -10.307 616 HD21 ASN 82 1HD2 ASN 82 12.080 2.992 -12.084 617 HD22 ASN 82 2HD2 ASN 82 13.338 4.176 -12.111 618 H SER 83 H SER 83 12.100 5.702 -8.166 619 HA SER 83 HA SER 83 14.536 5.241 -6.966 620 HB2 SER 83 1HB SER 83 12.706 7.582 -7.127 621 HB3 SER 83 2HB SER 83 14.009 7.661 -5.941 622 HG SER 83 HG SER 83 14.637 6.817 -8.528 623 H ASP 84 H ASP 84 11.423 5.887 -5.389 624 HA ASP 84 HA ASP 84 12.612 5.377 -2.773 625 HB2 ASP 84 1HB ASP 84 10.031 6.545 -3.729 626 HB3 ASP 84 2HB ASP 84 10.105 5.859 -2.108 627 H THR 85 H THR 85 13.021 3.152 -2.942 628 HA THR 85 HA THR 85 11.165 1.212 -3.750 629 HB THR 85 HB THR 85 12.564 -0.384 -2.394 630 HG1 THR 85 1HG THR 85 13.263 1.081 -0.784 631 HG21 THR 85 1HG2 THR 85 13.501 -0.439 -4.434 632 HG22 THR 85 2HG2 THR 85 14.763 0.571 -3.727 633 HG23 THR 85 3HG2 THR 85 13.431 1.314 -4.612 634 H VAL 86 H VAL 86 11.956 2.430 -0.505 635 HA VAL 86 HA VAL 86 10.431 0.840 1.091 636 HB VAL 86 HB VAL 86 11.848 2.879 1.742 637 HG11 VAL 86 1HG1 VAL 86 9.178 4.256 1.474 638 HG12 VAL 86 2HG1 VAL 86 10.672 4.959 2.097 639 HG13 VAL 86 3HG1 VAL 86 10.553 4.500 0.398 640 HG21 VAL 86 1HG2 VAL 86 10.520 1.378 3.273 641 HG22 VAL 86 2HG2 VAL 86 10.820 3.007 3.876 642 HG23 VAL 86 3HG2 VAL 86 9.239 2.589 3.216 643 H LEU 87 H LEU 87 9.289 3.616 -0.796 644 HA LEU 87 HA LEU 87 6.609 3.505 0.099 645 HB2 LEU 87 1HB LEU 87 7.867 5.389 -1.127 646 HB3 LEU 87 2HB LEU 87 7.429 4.523 -2.598 647 HG LEU 87 HG LEU 87 5.066 4.819 -2.088 648 HD11 LEU 87 1HD1 LEU 87 6.081 6.232 0.371 649 HD12 LEU 87 2HD1 LEU 87 5.084 4.780 0.304 650 HD13 LEU 87 3HD1 LEU 87 4.421 6.328 -0.217 651 HD21 LEU 87 1HD2 LEU 87 6.714 7.341 -1.990 652 HD22 LEU 87 2HD2 LEU 87 4.976 7.299 -2.293 653 HD23 LEU 87 3HD2 LEU 87 6.088 6.526 -3.424 654 H VAL 88 H VAL 88 8.259 2.125 -2.714 655 HA VAL 88 HA VAL 88 5.993 1.054 -3.982 656 HB VAL 88 HB VAL 88 8.852 0.080 -4.043 657 HG11 VAL 88 1HG1 VAL 88 8.264 -1.560 -5.430 658 HG12 VAL 88 2HG1 VAL 88 6.596 -1.260 -4.938 659 HG13 VAL 88 3HG1 VAL 88 7.243 -0.485 -6.384 660 HG21 VAL 88 1HG2 VAL 88 8.810 2.285 -4.868 661 HG22 VAL 88 2HG2 VAL 88 8.781 1.254 -6.298 662 HG23 VAL 88 3HG2 VAL 88 7.296 2.020 -5.733 663 H HIS 89 H HIS 89 8.120 -0.245 -1.485 664 HA HIS 89 HA HIS 89 7.022 -2.862 -1.478 665 HB2 HIS 89 1HB HIS 89 9.225 -2.441 -0.545 666 HB3 HIS 89 2HB HIS 89 8.541 -1.353 0.659 667 HD1 HIS 89 1HD HIS 89 9.679 -4.708 0.307 668 HD2 HIS 89 2HD HIS 89 6.583 -2.877 2.386 669 HE1 HIS 89 1HE HIS 89 9.015 -6.341 2.099 670 HE2 HIS 89 2HE HIS 89 7.084 -5.248 3.290 671 H ARG 90 H ARG 90 6.269 0.102 0.263 672 HA ARG 90 HA ARG 90 4.392 -1.126 2.041 673 HB2 ARG 90 1HB ARG 90 4.813 1.775 1.301 674 HB3 ARG 90 2HB ARG 90 3.761 1.212 2.593 675 HG2 ARG 90 1HG ARG 90 5.536 0.546 3.924 676 HG3 ARG 90 2HG ARG 90 6.654 0.463 2.561 677 HD2 ARG 90 1HD ARG 90 6.987 2.741 2.522 678 HD3 ARG 90 2HD ARG 90 5.433 3.086 3.281 679 HE ARG 90 HE ARG 90 7.918 2.708 4.598 680 HH11 ARG 90 2HH1 ARG 90 4.503 2.106 4.913 681 HH12 ARG 90 1HH1 ARG 90 4.532 2.096 6.645 682 HH21 ARG 90 2HH2 ARG 90 7.969 2.698 6.879 683 HH22 ARG 90 1HH2 ARG 90 6.504 2.434 7.762 684 H VAL 91 H VAL 91 4.156 0.725 -0.968 685 HA VAL 91 HA VAL 91 1.358 0.914 -1.076 686 HB VAL 91 HB VAL 91 3.374 0.842 -3.323 687 HG11 VAL 91 1HG1 VAL 91 1.500 0.419 -4.537 688 HG12 VAL 91 2HG1 VAL 91 0.422 1.107 -3.321 689 HG13 VAL 91 3HG1 VAL 91 1.331 2.169 -4.398 690 HG21 VAL 91 1HG2 VAL 91 3.868 2.905 -2.666 691 HG22 VAL 91 2HG2 VAL 91 2.204 3.384 -3.003 692 HG23 VAL 91 3HG2 VAL 91 2.653 2.827 -1.391 693 H HIS 92 H HIS 92 3.499 -1.359 -2.805 694 HA HIS 92 HA HIS 92 1.547 -2.953 -3.944 695 HB2 HIS 92 1HB HIS 92 4.057 -3.039 -4.332 696 HB3 HIS 92 2HB HIS 92 4.160 -4.022 -2.875 697 HD1 HIS 92 1HD HIS 92 2.818 -6.353 -2.983 698 HD2 HIS 92 2HD HIS 92 3.440 -4.417 -6.605 699 HE1 HIS 92 1HE HIS 92 2.422 -8.095 -4.753 700 HE2 HIS 92 2HE HIS 92 2.888 -6.922 -6.933 701 H SER 93 H SER 93 2.647 -2.830 -0.654 702 HA SER 93 HA SER 93 1.632 -5.361 0.160 703 HB2 SER 93 1HB SER 93 3.379 -3.940 1.366 704 HB3 SER 93 2HB SER 93 2.031 -2.971 1.961 705 HG SER 93 HG SER 93 1.414 -4.571 3.228 706 H TYR 94 H TYR 94 0.469 -2.092 0.994 707 HA TYR 94 HA TYR 94 -1.920 -2.714 2.136 708 HB2 TYR 94 1HB TYR 94 -1.486 -0.451 2.187 709 HB3 TYR 94 2HB TYR 94 -1.004 -0.395 0.495 710 HD1 TYR 94 2HD TYR 94 -2.687 -0.216 -1.273 711 HD2 TYR 94 1HD TYR 94 -3.799 -0.210 2.834 712 HE1 TYR 94 2HE TYR 94 -4.908 0.647 -1.881 713 HE2 TYR 94 1HE TYR 94 -6.023 0.653 2.237 714 HH TYR 94 HH TYR 94 -6.929 2.091 0.109 715 H LEU 95 H LEU 95 -1.182 -2.628 -1.305 716 HA LEU 95 HA LEU 95 -3.863 -2.988 -2.190 717 HB2 LEU 95 1HB LEU 95 -1.222 -3.487 -3.549 718 HB3 LEU 95 2HB LEU 95 -2.785 -3.614 -4.353 719 HG LEU 95 HG LEU 95 -1.999 -1.054 -3.021 720 HD11 LEU 95 1HD1 LEU 95 -0.232 -0.831 -4.352 721 HD12 LEU 95 2HD1 LEU 95 -1.369 -0.738 -5.697 722 HD13 LEU 95 3HD1 LEU 95 -0.640 -2.284 -5.264 723 HD21 LEU 95 1HD2 LEU 95 -4.240 -1.107 -3.754 724 HD22 LEU 95 2HD2 LEU 95 -3.804 -1.870 -5.284 725 HD23 LEU 95 3HD2 LEU 95 -3.359 -0.191 -4.977 726 H GLU 96 H GLU 96 -1.093 -5.242 -2.224 727 HA GLU 96 HA GLU 96 -2.601 -7.524 -2.844 728 HB2 GLU 96 1HB GLU 96 -0.181 -7.450 -3.132 729 HB3 GLU 96 2HB GLU 96 0.041 -7.300 -1.394 730 HG2 GLU 96 1HG GLU 96 -0.977 -9.526 -1.102 731 HG3 GLU 96 2HG GLU 96 -1.091 -9.674 -2.855 732 H ARG 97 H ARG 97 -1.169 -6.643 0.306 733 HA ARG 97 HA ARG 97 -2.199 -8.565 1.909 734 HB2 ARG 97 1HB ARG 97 -1.677 -5.657 2.364 735 HB3 ARG 97 2HB ARG 97 -2.467 -6.584 3.632 736 HG2 ARG 97 1HG ARG 97 0.106 -7.492 2.391 737 HG3 ARG 97 2HG ARG 97 0.068 -6.348 3.734 738 HD2 ARG 97 1HD ARG 97 -1.268 -9.048 3.791 739 HD3 ARG 97 2HD ARG 97 0.364 -8.751 4.390 740 HE ARG 97 HE ARG 97 -2.121 -7.990 5.647 741 HH11 ARG 97 2HH1 ARG 97 1.314 -7.456 5.456 742 HH12 ARG 97 1HH1 ARG 97 1.429 -6.776 7.046 743 HH21 ARG 97 2HH2 ARG 97 -1.983 -7.096 7.742 744 HH22 ARG 97 1HH2 ARG 97 -0.447 -6.572 8.345 745 H HIS 98 H HIS 98 -3.896 -5.582 0.973 746 HA HIS 98 HA HIS 98 -6.282 -6.137 2.363 747 HB2 HIS 98 1HB HIS 98 -5.636 -4.363 0.017 748 HB3 HIS 98 2HB HIS 98 -7.275 -4.498 0.646 749 HD1 HIS 98 1HD HIS 98 -7.588 -2.284 1.753 750 HD2 HIS 98 2HD HIS 98 -4.009 -4.096 2.834 751 HE1 HIS 98 1HE HIS 98 -6.625 -0.838 3.571 752 HE2 HIS 98 2HE HIS 98 -4.419 -1.906 4.149 753 H GLY 99 H GLY 99 -5.191 -6.938 -0.894 754 HA2 GLY 99 1HA GLY 99 -5.970 -9.054 -1.829 755 HA3 GLY 99 2HA GLY 99 -7.547 -8.702 -1.140 756 H LEU 100 H LEU 100 -5.447 -6.477 -2.908 757 HA LEU 100 HA LEU 100 -7.603 -6.150 -4.878 758 HB2 LEU 100 1HB LEU 100 -5.289 -4.278 -4.597 759 HB3 LEU 100 2HB LEU 100 -6.909 -3.961 -5.213 760 HG LEU 100 HG LEU 100 -5.906 -3.983 -2.412 761 HD11 LEU 100 1HD1 LEU 100 -7.621 -2.098 -2.343 762 HD12 LEU 100 2HD1 LEU 100 -7.708 -2.273 -4.095 763 HD13 LEU 100 3HD1 LEU 100 -6.179 -1.846 -3.328 764 HD21 LEU 100 1HD2 LEU 100 -8.393 -5.241 -3.290 765 HD22 LEU 100 2HD2 LEU 100 -8.621 -3.981 -2.077 766 HD23 LEU 100 3HD2 LEU 100 -7.551 -5.344 -1.743 767 H ILE 101 H ILE 101 -4.473 -7.395 -4.477 768 HA ILE 101 HA ILE 101 -4.275 -7.854 -7.360 769 HB ILE 101 HB ILE 101 -1.860 -7.362 -7.354 770 HG12 ILE 101 1HG1 ILE 101 -2.186 -5.897 -4.761 771 HG13 ILE 101 2HG1 ILE 101 -1.828 -7.620 -4.739 772 HG21 ILE 101 1HG2 ILE 101 -3.907 -5.621 -7.642 773 HG22 ILE 101 2HG2 ILE 101 -2.962 -4.810 -6.394 774 HG23 ILE 101 3HG2 ILE 101 -2.216 -5.218 -7.939 775 HD11 ILE 101 1HD1 ILE 101 0.301 -7.300 -5.326 776 HD12 ILE 101 2HD1 ILE 101 -0.107 -6.060 -6.512 777 HD13 ILE 101 3HD1 ILE 101 0.023 -5.639 -4.804 778 H ASN 102 H ASN 102 -3.325 -9.782 -7.928 779 HA ASN 102 HA ASN 102 -2.568 -11.917 -7.713 780 HB2 ASN 102 1HB ASN 102 -1.476 -10.993 -5.046 781 HB3 ASN 102 2HB ASN 102 -0.995 -12.442 -5.925 782 HD21 ASN 102 1HD2 ASN 102 1.124 -11.327 -5.549 783 HD22 ASN 102 2HD2 ASN 102 1.662 -10.234 -6.775 784 H PHE 103 H PHE 103 -5.144 -11.762 -7.280 785 HA PHE 103 HA PHE 103 -5.627 -13.382 -4.867 786 HB2 PHE 103 1HB PHE 103 -8.018 -12.471 -5.058 787 HB3 PHE 103 2HB PHE 103 -6.780 -11.365 -4.471 788 HD1 PHE 103 1HD PHE 103 -7.971 -12.450 -7.841 789 HD2 PHE 103 2HD PHE 103 -7.097 -9.224 -5.206 790 HE1 PHE 103 1HE PHE 103 -8.574 -10.847 -9.608 791 HE2 PHE 103 2HE PHE 103 -7.699 -7.616 -6.968 792 HZ PHE 103 HZ PHE 103 -8.439 -8.427 -9.173 793 H GLY 104 H GLY 104 -4.846 -14.383 -7.439 794 HA2 GLY 104 1HA GLY 104 -7.002 -16.268 -7.826 795 HA3 GLY 104 2HA GLY 104 -6.716 -15.218 -9.206 796 H ILE 105 H ILE 105 -4.186 -15.045 -9.646 797 HA ILE 105 HA ILE 105 -3.317 -17.258 -10.895 798 HB ILE 105 HB ILE 105 -1.144 -16.399 -10.938 799 HG12 ILE 105 1HG1 ILE 105 -0.719 -16.446 -8.524 800 HG13 ILE 105 2HG1 ILE 105 -0.213 -14.909 -9.218 801 HG21 ILE 105 1HG2 ILE 105 -2.772 -13.958 -10.269 802 HG22 ILE 105 2HG2 ILE 105 -1.406 -14.081 -11.377 803 HG23 ILE 105 3HG2 ILE 105 -2.939 -14.852 -11.780 804 HD11 ILE 105 1HD1 ILE 105 -1.405 -13.895 -7.660 805 HD12 ILE 105 2HD1 ILE 105 -2.864 -14.542 -8.412 806 HD13 ILE 105 3HD1 ILE 105 -2.075 -15.430 -7.108 807 H TYR 106 H TYR 106 -3.344 -16.773 -7.465 808 HA TYR 106 HA TYR 106 -2.608 -19.547 -7.055 809 HB2 TYR 106 1HB TYR 106 -0.804 -19.122 -5.527 810 HB3 TYR 106 2HB TYR 106 -0.449 -18.272 -7.027 811 HD1 TYR 106 1HD TYR 106 -2.147 -17.638 -3.754 812 HD2 TYR 106 2HD TYR 106 0.322 -16.106 -6.863 813 HE1 TYR 106 1HE TYR 106 -1.869 -15.544 -2.494 814 HE2 TYR 106 2HE TYR 106 0.608 -14.009 -5.610 815 HH TYR 106 HH TYR 106 -0.339 -12.750 -3.889 816 H LYS 107 H LYS 107 -3.520 -20.419 -5.249 817 HA LYS 107 HA LYS 107 -5.357 -18.683 -3.775 818 HB2 LYS 107 1HB LYS 107 -6.137 -20.815 -4.898 819 HB3 LYS 107 2HB LYS 107 -5.208 -21.697 -3.693 820 HG2 LYS 107 1HG LYS 107 -6.582 -20.354 -1.975 821 HG3 LYS 107 2HG LYS 107 -7.665 -20.031 -3.331 822 HD2 LYS 107 1HD LYS 107 -6.819 -22.842 -2.854 823 HD3 LYS 107 2HD LYS 107 -7.993 -22.130 -1.745 824 HE2 LYS 107 1HE LYS 107 -9.526 -21.706 -3.500 825 HE3 LYS 107 2HE LYS 107 -8.315 -22.042 -4.735 826 HZ1 LYS 107 1HZ LYS 107 -9.712 -23.923 -4.608 827 HZ2 LYS 107 2HZ LYS 107 -9.631 -23.980 -2.920 828 HZ3 LYS 107 3HZ LYS 107 -8.268 -24.367 -3.845 829 H ARG 108 H ARG 108 -3.577 -17.745 -2.538 830 HA ARG 108 HA ARG 108 -2.721 -19.508 -0.337 831 HB2 ARG 108 1HB ARG 108 -0.746 -18.936 -1.490 832 HB3 ARG 108 2HB ARG 108 -1.268 -17.275 -1.733 833 HG2 ARG 108 1HG ARG 108 -0.652 -16.624 0.364 834 HG3 ARG 108 2HG ARG 108 -0.892 -18.232 1.053 835 HD2 ARG 108 1HD ARG 108 1.119 -19.005 -0.166 836 HD3 ARG 108 2HD ARG 108 1.375 -17.354 -0.731 837 HE ARG 108 HE ARG 108 1.878 -18.390 1.923 838 HH11 ARG 108 2HH1 ARG 108 1.441 -15.570 -0.072 839 HH12 ARG 108 1HH1 ARG 108 2.266 -14.509 1.021 840 HH21 ARG 108 2HH2 ARG 108 2.966 -17.002 3.370 841 HH22 ARG 108 1HH2 ARG 108 3.133 -15.325 2.979 842 H ILE 109 H ILE 109 -3.064 -16.023 -1.038 843 HA ILE 109 HA ILE 109 -3.422 -15.198 1.599 844 HB ILE 109 HB ILE 109 -4.461 -13.950 -0.945 845 HG12 ILE 109 1HG1 ILE 109 -2.068 -13.236 0.761 846 HG13 ILE 109 2HG1 ILE 109 -1.985 -14.194 -0.713 847 HG21 ILE 109 1HG2 ILE 109 -5.794 -13.057 0.788 848 HG22 ILE 109 2HG2 ILE 109 -4.415 -12.916 1.877 849 HG23 ILE 109 3HG2 ILE 109 -4.541 -11.857 0.472 850 HD11 ILE 109 1HD1 ILE 109 -3.367 -11.896 -1.437 851 HD12 ILE 109 2HD1 ILE 109 -2.069 -11.340 -0.380 852 HD13 ILE 109 3HD1 ILE 109 -1.691 -12.298 -1.811 853 H LYS 110 H LYS 110 -5.856 -16.008 -0.862 854 HA LYS 110 HA LYS 110 -8.208 -15.418 0.241 855 HB2 LYS 110 1HB LYS 110 -8.125 -16.685 -1.796 856 HB3 LYS 110 2HB LYS 110 -7.424 -18.070 -0.971 857 HG2 LYS 110 1HG LYS 110 -9.511 -18.347 0.298 858 HG3 LYS 110 2HG LYS 110 -10.211 -16.993 -0.593 859 HD2 LYS 110 1HD LYS 110 -10.245 -18.178 -2.603 860 HD3 LYS 110 2HD LYS 110 -9.063 -19.359 -2.034 861 HE2 LYS 110 1HE LYS 110 -11.146 -20.471 -2.036 862 HE3 LYS 110 2HE LYS 110 -10.801 -20.090 -0.349 863 HZ1 LYS 110 1HZ LYS 110 -12.197 -17.932 -1.389 864 HZ2 LYS 110 2HZ LYS 110 -12.748 -19.069 -0.265 865 HZ3 LYS 110 3HZ LYS 110 -13.014 -19.316 -1.917 866 HA PRO 111 HA PRO 111 -8.321 -17.130 4.314 867 HB2 PRO 111 1HB PRO 111 -10.979 -16.812 4.765 868 HB3 PRO 111 2HB PRO 111 -9.832 -15.468 4.795 869 HG2 PRO 111 1HG PRO 111 -11.680 -16.331 2.604 870 HG3 PRO 111 2HG PRO 111 -11.319 -14.695 3.184 871 HD2 PRO 111 1HD PRO 111 -10.195 -15.729 0.948 872 HD3 PRO 111 2HD PRO 111 -9.348 -14.572 1.995 873 H LEU 112 H LEU 112 -10.058 -18.626 5.524 874 HA LEU 112 HA LEU 112 -10.881 -20.801 3.739 875 HB2 LEU 112 1HB LEU 112 -9.636 -21.535 6.333 876 HB3 LEU 112 2HB LEU 112 -9.710 -22.438 4.821 877 HG LEU 112 HG LEU 112 -7.999 -19.995 4.989 878 HD11 LEU 112 1HD1 LEU 112 -6.552 -20.856 6.431 879 HD12 LEU 112 2HD1 LEU 112 -6.491 -22.374 5.536 880 HD13 LEU 112 3HD1 LEU 112 -7.719 -22.132 6.778 881 HD21 LEU 112 1HD2 LEU 112 -7.235 -22.514 3.625 882 HD22 LEU 112 2HD2 LEU 112 -6.981 -20.838 3.139 883 HD23 LEU 112 3HD2 LEU 112 -8.566 -21.584 2.936 884 HA PRO 113 HA PRO 113 -14.540 -20.914 6.163 885 HB2 PRO 113 1HB PRO 113 -15.210 -23.538 5.977 886 HB3 PRO 113 2HB PRO 113 -15.368 -22.408 4.626 887 HG2 PRO 113 1HG PRO 113 -13.199 -24.393 5.193 888 HG3 PRO 113 2HG PRO 113 -13.994 -24.013 3.654 889 HD2 PRO 113 1HD PRO 113 -11.558 -23.034 4.316 890 HD3 PRO 113 2HD PRO 113 -12.710 -22.131 3.310 891 H THR 114 H THR 114 -14.262 -20.560 8.296 892 HA THR 114 HA THR 114 -13.725 -22.881 9.993 893 HB THR 114 HB THR 114 -12.264 -21.474 11.474 894 HG1 THR 114 1HG THR 114 -11.249 -19.674 10.213 895 HG21 THR 114 1HG2 THR 114 -11.370 -22.119 8.669 896 HG22 THR 114 2HG2 THR 114 -11.180 -23.100 10.123 897 HG23 THR 114 3HG2 THR 114 -10.258 -21.608 9.939 898 H LYS 115 H LYS 115 -13.858 -21.904 12.438 899 HA LYS 115 HA LYS 115 -16.437 -20.483 12.524 900 HB2 LYS 115 1HB LYS 115 -15.268 -22.620 14.292 901 HB3 LYS 115 2HB LYS 115 -16.584 -21.592 14.844 902 HG2 LYS 115 1HG LYS 115 -17.660 -22.374 12.554 903 HG3 LYS 115 2HG LYS 115 -16.579 -23.745 12.808 904 HD2 LYS 115 1HD LYS 115 -17.698 -24.458 14.669 905 HD3 LYS 115 2HD LYS 115 -18.232 -22.833 15.104 906 HE2 LYS 115 1HE LYS 115 -19.754 -22.926 13.095 907 HE3 LYS 115 2HE LYS 115 -19.343 -24.635 12.962 908 HZ1 LYS 115 1HZ LYS 115 -21.095 -24.902 14.306 909 HZ2 LYS 115 2HZ LYS 115 -21.081 -23.298 14.842 910 HZ3 LYS 115 3HZ LYS 115 -20.042 -24.433 15.544 911 H LYS 116 H LYS 116 -16.568 -18.609 13.594 912 HA LYS 116 HA LYS 116 -14.153 -17.500 14.745 913 HB2 LYS 116 1HB LYS 116 -15.345 -15.408 14.806 914 HB3 LYS 116 2HB LYS 116 -15.633 -16.171 13.248 915 HG2 LYS 116 1HG LYS 116 -17.836 -16.706 13.779 916 HG3 LYS 116 2HG LYS 116 -17.565 -16.505 15.511 917 HD2 LYS 116 1HD LYS 116 -17.303 -14.206 13.596 918 HD3 LYS 116 2HD LYS 116 -18.863 -14.667 14.282 919 HE2 LYS 116 1HE LYS 116 -18.209 -13.135 15.839 920 HE3 LYS 116 2HE LYS 116 -17.483 -14.581 16.539 921 HZ1 LYS 116 1HZ LYS 116 -15.524 -13.592 16.410 922 HZ2 LYS 116 2HZ LYS 116 -16.212 -12.230 15.682 923 HZ3 LYS 116 3HZ LYS 116 -15.657 -13.510 14.725 924 H THR 117 H THR 117 -14.583 -16.057 16.786 925 HA THR 117 HA THR 117 -16.065 -17.674 18.756 926 HB THR 117 HB THR 117 -13.598 -17.947 18.980 927 HG1 THR 117 1HG THR 117 -13.708 -17.808 21.173 928 HG21 THR 117 1HG2 THR 117 -13.335 -15.230 20.127 929 HG22 THR 117 2HG2 THR 117 -13.382 -15.344 18.368 930 HG23 THR 117 3HG2 THR 117 -12.151 -16.220 19.276 931 H GLY 118 H GLY 118 -17.178 -16.585 20.360 932 HA2 GLY 118 1HA GLY 118 -17.208 -14.257 21.486 933 HA3 GLY 118 2HA GLY 118 -17.549 -13.711 19.850 934 H SER 119 H SER 119 -19.131 -13.628 22.394 935 HA SER 119 HA SER 119 -21.661 -14.301 21.222 936 HB2 SER 119 1HB SER 119 -22.394 -15.957 22.765 937 HB3 SER 119 2HB SER 119 -20.806 -16.488 22.210 938 HG SER 119 HG SER 119 -20.009 -15.362 24.166 939 H GLY 120 H GLY 120 -23.401 -13.303 22.258 940 HA2 GLY 120 1HA GLY 120 -23.305 -12.142 24.822 941 HA3 GLY 120 2HA GLY 120 -22.844 -10.929 23.636 942 HA PRO 121 HA PRO 121 -27.583 -12.040 23.637 943 HB2 PRO 121 1HB PRO 121 -28.531 -11.181 26.031 944 HB3 PRO 121 2HB PRO 121 -28.023 -12.849 25.742 945 HG2 PRO 121 1HG PRO 121 -26.527 -10.613 27.056 946 HG3 PRO 121 2HG PRO 121 -26.653 -12.314 27.543 947 HD2 PRO 121 1HD PRO 121 -24.495 -11.328 26.237 948 HD3 PRO 121 2HD PRO 121 -25.060 -12.997 26.023 949 H SER 122 H SER 122 -29.252 -10.475 23.348 950 HA SER 122 HA SER 122 -28.301 -7.688 23.491 951 HB2 SER 122 1HB SER 122 -29.576 -7.223 21.462 952 HB3 SER 122 2HB SER 122 -28.448 -8.547 21.171 953 HG SER 122 HG SER 122 -30.589 -8.937 20.363 954 H SER 123 H SER 123 -29.268 -7.110 25.399 955 HA SER 123 HA SER 123 -32.214 -7.176 25.417 956 HB2 SER 123 1HB SER 123 -32.151 -7.391 27.855 957 HB3 SER 123 2HB SER 123 -31.274 -8.723 27.101 958 HG SER 123 HG SER 123 -30.380 -6.867 28.832 959 H GLY 124 H GLY 124 -33.210 -5.440 26.727 960 HA2 GLY 124 1HA GLY 124 -31.548 -3.079 27.154 961 HA3 GLY 124 2HA GLY 124 -32.808 -2.943 25.937 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -16.949 -16.522 -4.761 2 HA2 GLY 1 1HA GLY 1 -17.244 -18.876 -6.289 3 HA3 GLY 1 2HA GLY 1 -18.835 -18.266 -5.861 4 H SER 2 H SER 2 -15.904 -17.643 -7.658 5 HA SER 2 HA SER 2 -16.621 -15.102 -8.670 6 HB2 SER 2 1HB SER 2 -14.309 -16.189 -8.685 7 HB3 SER 2 2HB SER 2 -14.858 -17.098 -10.093 8 HG SER 2 HG SER 2 -15.315 -15.033 -11.074 9 H SER 3 H SER 3 -17.597 -14.490 -10.575 10 HA SER 3 HA SER 3 -19.536 -16.321 -11.634 11 HB2 SER 3 1HB SER 3 -20.257 -14.412 -13.014 12 HB3 SER 3 2HB SER 3 -20.083 -13.949 -11.321 13 HG SER 3 HG SER 3 -17.839 -13.322 -12.073 14 H GLY 4 H GLY 4 -16.727 -14.597 -12.983 15 HA2 GLY 4 1HA GLY 4 -15.286 -16.100 -14.402 16 HA3 GLY 4 2HA GLY 4 -16.777 -16.500 -15.242 17 H SER 5 H SER 5 -17.960 -14.592 -16.196 18 HA SER 5 HA SER 5 -16.127 -13.140 -17.849 19 HB2 SER 5 1HB SER 5 -18.231 -13.946 -18.780 20 HB3 SER 5 2HB SER 5 -19.142 -12.981 -17.619 21 HG SER 5 HG SER 5 -17.920 -11.145 -18.619 22 H SER 6 H SER 6 -15.088 -11.397 -17.163 23 HA SER 6 HA SER 6 -16.524 -9.502 -15.420 24 HB2 SER 6 1HB SER 6 -13.538 -9.995 -15.521 25 HB3 SER 6 2HB SER 6 -14.378 -8.890 -14.433 26 HG SER 6 HG SER 6 -14.243 -11.679 -14.394 27 H GLY 7 H GLY 7 -17.126 -7.785 -16.565 28 HA2 GLY 7 1HA GLY 7 -15.694 -6.989 -18.949 29 HA3 GLY 7 2HA GLY 7 -17.154 -6.248 -18.308 30 H GLU 8 H GLU 8 -13.751 -6.067 -18.543 31 HA GLU 8 HA GLU 8 -13.795 -3.587 -16.968 32 HB2 GLU 8 1HB GLU 8 -11.667 -5.730 -16.856 33 HB3 GLU 8 2HB GLU 8 -11.506 -4.132 -16.141 34 HG2 GLU 8 1HG GLU 8 -13.568 -4.659 -14.791 35 HG3 GLU 8 2HG GLU 8 -13.410 -6.319 -15.362 36 H GLU 9 H GLU 9 -12.992 -1.894 -18.028 37 HA GLU 9 HA GLU 9 -11.138 -2.376 -20.260 38 HB2 GLU 9 1HB GLU 9 -13.604 -0.644 -20.238 39 HB3 GLU 9 2HB GLU 9 -12.312 -0.421 -21.409 40 HG2 GLU 9 1HG GLU 9 -12.672 -2.560 -22.353 41 HG3 GLU 9 2HG GLU 9 -13.736 -3.037 -21.031 42 HA PRO 10 HA PRO 10 -9.316 0.703 -17.355 43 HB2 PRO 10 1HB PRO 10 -6.781 -0.233 -17.618 44 HB3 PRO 10 2HB PRO 10 -7.943 -0.915 -16.474 45 HG2 PRO 10 1HG PRO 10 -7.151 -1.905 -19.186 46 HG3 PRO 10 2HG PRO 10 -7.404 -2.823 -17.690 47 HD2 PRO 10 1HD PRO 10 -9.266 -2.692 -19.651 48 HD3 PRO 10 2HD PRO 10 -9.696 -2.832 -17.934 49 H SER 11 H SER 11 -8.900 2.654 -18.158 50 HA SER 11 HA SER 11 -7.568 2.849 -20.777 51 HB2 SER 11 1HB SER 11 -8.647 5.088 -20.949 52 HB3 SER 11 2HB SER 11 -9.813 3.771 -20.830 53 HG SER 11 HG SER 11 -8.938 5.154 -18.534 54 H GLY 12 H GLY 12 -5.457 3.192 -20.456 55 HA2 GLY 12 1HA GLY 12 -3.527 4.266 -19.826 56 HA3 GLY 12 2HA GLY 12 -4.535 5.621 -19.340 57 H VAL 13 H VAL 13 -2.407 5.266 -17.832 58 HA VAL 13 HA VAL 13 -2.396 3.438 -15.768 59 HB VAL 13 HB VAL 13 -1.595 6.348 -15.632 60 HG11 VAL 13 1HG1 VAL 13 -0.508 4.165 -13.891 61 HG12 VAL 13 2HG1 VAL 13 -0.446 5.913 -13.655 62 HG13 VAL 13 3HG1 VAL 13 -1.967 5.046 -13.439 63 HG21 VAL 13 1HG2 VAL 13 -0.556 4.610 -17.328 64 HG22 VAL 13 2HG2 VAL 13 0.453 5.778 -16.475 65 HG23 VAL 13 3HG2 VAL 13 0.350 4.115 -15.898 66 H GLU 14 H GLU 14 -3.786 6.724 -15.609 67 HA GLU 14 HA GLU 14 -4.939 6.578 -13.116 68 HB2 GLU 14 1HB GLU 14 -5.796 8.027 -15.611 69 HB3 GLU 14 2HB GLU 14 -6.682 8.190 -14.101 70 HG2 GLU 14 1HG GLU 14 -4.455 8.851 -13.058 71 HG3 GLU 14 2HG GLU 14 -3.869 9.021 -14.711 72 H GLY 15 H GLY 15 -6.436 5.679 -16.222 73 HA2 GLY 15 1HA GLY 15 -8.948 4.996 -15.576 74 HA3 GLY 15 2HA GLY 15 -7.971 3.985 -16.631 75 H ALA 16 H ALA 16 -6.102 3.065 -14.735 76 HA ALA 16 HA ALA 16 -7.214 0.761 -13.801 77 HB1 ALA 16 1HB ALA 16 -5.336 0.606 -12.229 78 HB2 ALA 16 2HB ALA 16 -4.817 1.144 -13.827 79 HB3 ALA 16 3HB ALA 16 -4.970 2.308 -12.511 80 H ALA 17 H ALA 17 -6.779 3.741 -11.894 81 HA ALA 17 HA ALA 17 -7.754 3.037 -9.473 82 HB1 ALA 17 1HB ALA 17 -8.411 5.578 -10.960 83 HB2 ALA 17 2HB ALA 17 -8.584 5.337 -9.220 84 HB3 ALA 17 3HB ALA 17 -6.986 5.284 -9.963 85 H PHE 18 H PHE 18 -9.653 3.600 -12.385 86 HA PHE 18 HA PHE 18 -12.197 3.827 -11.595 87 HB2 PHE 18 1HB PHE 18 -11.763 3.579 -13.920 88 HB3 PHE 18 2HB PHE 18 -11.085 1.970 -13.694 89 HD1 PHE 18 2HD PHE 18 -14.280 3.684 -12.793 90 HD2 PHE 18 1HD PHE 18 -12.387 0.298 -14.547 91 HE1 PHE 18 2HE PHE 18 -16.485 2.695 -13.256 92 HE2 PHE 18 1HE PHE 18 -14.590 -0.695 -15.014 93 HZ PHE 18 HZ PHE 18 -16.642 0.503 -14.368 94 H GLN 19 H GLN 19 -10.191 1.024 -11.078 95 HA GLN 19 HA GLN 19 -12.392 -0.617 -10.161 96 HB2 GLN 19 1HB GLN 19 -10.743 -2.334 -9.803 97 HB3 GLN 19 2HB GLN 19 -10.437 -1.580 -11.362 98 HG2 GLN 19 1HG GLN 19 -8.317 -1.631 -10.582 99 HG3 GLN 19 2HG GLN 19 -8.814 -0.086 -9.895 100 HE21 GLN 19 1HE2 GLN 19 -9.254 -3.497 -9.009 101 HE22 GLN 19 2HE2 GLN 19 -8.702 -3.321 -7.381 102 H SER 20 H SER 20 -11.913 1.889 -8.775 103 HA SER 20 HA SER 20 -11.895 0.855 -6.080 104 HB2 SER 20 1HB SER 20 -9.698 2.631 -7.114 105 HB3 SER 20 2HB SER 20 -10.167 2.671 -5.415 106 HG SER 20 HG SER 20 -9.168 0.849 -5.128 107 H ARG 21 H ARG 21 -12.989 2.156 -4.648 108 HA ARG 21 HA ARG 21 -14.586 4.254 -5.837 109 HB2 ARG 21 1HB ARG 21 -15.754 4.271 -3.658 110 HB3 ARG 21 2HB ARG 21 -15.682 2.665 -4.371 111 HG2 ARG 21 1HG ARG 21 -15.110 2.135 -2.245 112 HG3 ARG 21 2HG ARG 21 -13.503 2.510 -2.869 113 HD2 ARG 21 1HD ARG 21 -13.488 4.630 -1.858 114 HD3 ARG 21 2HD ARG 21 -15.229 4.600 -1.579 115 HE ARG 21 HE ARG 21 -14.882 3.364 0.332 116 HH11 ARG 21 2HH1 ARG 21 -11.933 3.557 -1.509 117 HH12 ARG 21 1HH1 ARG 21 -10.947 2.899 -0.245 118 HH21 ARG 21 2HH2 ARG 21 -13.594 2.497 2.004 119 HH22 ARG 21 1HH2 ARG 21 -11.893 2.296 1.752 120 H LEU 22 H LEU 22 -11.677 4.646 -5.391 121 HA LEU 22 HA LEU 22 -11.869 7.085 -3.754 122 HB2 LEU 22 1HB LEU 22 -9.623 6.746 -2.959 123 HB3 LEU 22 2HB LEU 22 -10.611 5.338 -2.574 124 HG LEU 22 HG LEU 22 -9.523 4.480 -4.865 125 HD11 LEU 22 1HD1 LEU 22 -8.196 6.829 -4.615 126 HD12 LEU 22 2HD1 LEU 22 -7.571 5.413 -5.459 127 HD13 LEU 22 3HD1 LEU 22 -7.093 5.727 -3.791 128 HD21 LEU 22 1HD2 LEU 22 -9.048 4.125 -2.052 129 HD22 LEU 22 2HD2 LEU 22 -7.550 3.924 -2.961 130 HD23 LEU 22 3HD2 LEU 22 -8.962 2.946 -3.361 131 HA PRO 23 HA PRO 23 -10.376 9.211 -7.304 132 HB2 PRO 23 1HB PRO 23 -9.280 11.383 -6.100 133 HB3 PRO 23 2HB PRO 23 -11.025 11.142 -6.241 134 HG2 PRO 23 1HG PRO 23 -9.223 10.619 -3.908 135 HG3 PRO 23 2HG PRO 23 -10.832 11.364 -3.934 136 HD2 PRO 23 1HD PRO 23 -10.435 8.780 -3.229 137 HD3 PRO 23 2HD PRO 23 -11.911 9.330 -4.048 138 H HIS 24 H HIS 24 -8.513 9.531 -8.487 139 HA HIS 24 HA HIS 24 -6.083 8.384 -7.337 140 HB2 HIS 24 1HB HIS 24 -6.410 7.325 -9.355 141 HB3 HIS 24 2HB HIS 24 -7.140 8.742 -10.102 142 HD1 HIS 24 1HD HIS 24 -3.999 6.903 -9.850 143 HD2 HIS 24 2HD HIS 24 -5.178 10.750 -10.886 144 HE1 HIS 24 1HE HIS 24 -2.040 7.901 -11.070 145 HE2 HIS 24 2HE HIS 24 -2.745 10.257 -11.612 146 H ASP 25 H ASP 25 -7.437 11.396 -8.122 147 HA ASP 25 HA ASP 25 -4.918 12.744 -8.583 148 HB2 ASP 25 1HB ASP 25 -7.567 14.077 -8.048 149 HB3 ASP 25 2HB ASP 25 -6.191 14.705 -8.950 150 H ARG 26 H ARG 26 -7.046 12.066 -5.931 151 HA ARG 26 HA ARG 26 -5.216 13.515 -4.145 152 HB2 ARG 26 1HB ARG 26 -7.049 14.323 -2.802 153 HB3 ARG 26 2HB ARG 26 -7.300 14.830 -4.467 154 HG2 ARG 26 1HG ARG 26 -9.384 14.086 -4.098 155 HG3 ARG 26 2HG ARG 26 -8.671 12.515 -4.470 156 HD2 ARG 26 1HD ARG 26 -8.710 11.828 -2.296 157 HD3 ARG 26 2HD ARG 26 -8.518 13.463 -1.664 158 HE ARG 26 HE ARG 26 -11.058 12.956 -2.934 159 HH11 ARG 26 2HH1 ARG 26 -9.240 12.876 0.033 160 HH12 ARG 26 1HH1 ARG 26 -10.643 12.952 1.047 161 HH21 ARG 26 2HH2 ARG 26 -12.913 13.055 -1.610 162 HH22 ARG 26 1HH2 ARG 26 -12.731 13.052 0.112 163 H MET 27 H MET 27 -5.687 12.827 -1.780 164 HA MET 27 HA MET 27 -5.788 9.898 -1.766 165 HB2 MET 27 1HB MET 27 -4.616 11.916 0.139 166 HB3 MET 27 2HB MET 27 -4.803 10.222 0.572 167 HG2 MET 27 1HG MET 27 -3.426 10.821 -1.976 168 HG3 MET 27 2HG MET 27 -2.573 11.206 -0.483 169 HE1 MET 27 1HE MET 27 -1.224 8.808 0.968 170 HE2 MET 27 2HE MET 27 -2.650 9.722 1.459 171 HE3 MET 27 3HE MET 27 -2.694 7.959 1.448 172 H THR 28 H THR 28 -6.838 8.825 0.066 173 HA THR 28 HA THR 28 -9.211 10.318 0.977 174 HB THR 28 HB THR 28 -10.288 8.017 1.162 175 HG1 THR 28 1HG THR 28 -9.311 6.339 0.133 176 HG21 THR 28 1HG2 THR 28 -11.153 9.271 -0.572 177 HG22 THR 28 2HG2 THR 28 -10.501 7.886 -1.448 178 HG23 THR 28 3HG2 THR 28 -9.599 9.400 -1.395 179 H SER 29 H SER 29 -10.224 9.201 2.972 180 HA SER 29 HA SER 29 -8.532 9.511 5.142 181 HB2 SER 29 1HB SER 29 -11.194 8.187 4.776 182 HB3 SER 29 2HB SER 29 -10.355 8.022 6.318 183 HG SER 29 HG SER 29 -10.787 10.532 5.087 184 H GLN 30 H GLN 30 -9.276 6.629 3.279 185 HA GLN 30 HA GLN 30 -8.061 4.769 5.041 186 HB2 GLN 30 1HB GLN 30 -9.677 4.452 2.964 187 HB3 GLN 30 2HB GLN 30 -8.155 4.254 2.105 188 HG2 GLN 30 1HG GLN 30 -9.355 2.552 4.242 189 HG3 GLN 30 2HG GLN 30 -8.727 2.089 2.661 190 HE21 GLN 30 1HE2 GLN 30 -6.304 2.707 2.431 191 HE22 GLN 30 2HE2 GLN 30 -5.302 2.214 3.749 192 H GLU 31 H GLU 31 -6.924 5.914 1.856 193 HA GLU 31 HA GLU 31 -4.361 4.887 1.988 194 HB2 GLU 31 1HB GLU 31 -5.289 7.440 0.661 195 HB3 GLU 31 2HB GLU 31 -3.747 6.655 0.352 196 HG2 GLU 31 1HG GLU 31 -4.725 4.870 -0.748 197 HG3 GLU 31 2HG GLU 31 -6.303 5.155 -0.017 198 H ALA 32 H ALA 32 -5.629 7.882 3.326 199 HA ALA 32 HA ALA 32 -3.170 9.058 4.040 200 HB1 ALA 32 1HB ALA 32 -5.001 9.930 5.931 201 HB2 ALA 32 2HB ALA 32 -4.637 10.696 4.385 202 HB3 ALA 32 3HB ALA 32 -5.981 9.562 4.512 203 H ALA 33 H ALA 33 -5.270 6.763 5.690 204 HA ALA 33 HA ALA 33 -3.889 6.843 8.181 205 HB1 ALA 33 1HB ALA 33 -6.136 6.094 8.211 206 HB2 ALA 33 2HB ALA 33 -5.814 4.861 6.990 207 HB3 ALA 33 3HB ALA 33 -5.135 4.697 8.609 208 H CYS 34 H CYS 34 -3.718 4.748 5.334 209 HA CYS 34 HA CYS 34 -1.779 2.982 6.474 210 HB2 CYS 34 1HB CYS 34 -3.460 2.659 4.451 211 HB3 CYS 34 2HB CYS 34 -2.094 3.259 3.517 212 HG CYS 34 HG CYS 34 -0.352 1.227 4.467 213 H PHE 35 H PHE 35 -1.669 5.842 4.435 214 HA PHE 35 HA PHE 35 1.264 5.834 4.704 215 HB2 PHE 35 1HB PHE 35 -0.293 6.884 2.333 216 HB3 PHE 35 2HB PHE 35 1.458 6.845 2.502 217 HD1 PHE 35 2HD PHE 35 -1.553 4.731 2.165 218 HD2 PHE 35 1HD PHE 35 2.694 4.925 1.941 219 HE1 PHE 35 2HE PHE 35 -1.508 2.499 1.130 220 HE2 PHE 35 1HE PHE 35 2.744 2.694 0.904 221 HZ PHE 35 HZ PHE 35 0.642 1.478 0.499 222 HA PRO 36 HA PRO 36 -0.292 9.646 6.722 223 HB2 PRO 36 1HB PRO 36 1.683 9.712 8.584 224 HB3 PRO 36 2HB PRO 36 0.215 8.747 8.775 225 HG2 PRO 36 1HG PRO 36 2.939 7.893 7.874 226 HG3 PRO 36 2HG PRO 36 1.825 7.083 8.991 227 HD2 PRO 36 1HD PRO 36 2.097 6.331 6.404 228 HD3 PRO 36 2HD PRO 36 0.560 6.192 7.282 229 H ASP 37 H ASP 37 3.091 8.796 6.013 230 HA ASP 37 HA ASP 37 4.103 11.405 5.906 231 HB2 ASP 37 1HB ASP 37 5.316 9.085 5.865 232 HB3 ASP 37 2HB ASP 37 5.174 9.252 4.117 233 H ILE 38 H ILE 38 2.535 9.419 3.459 234 HA ILE 38 HA ILE 38 3.070 11.107 1.252 235 HB ILE 38 HB ILE 38 0.788 9.167 1.644 236 HG12 ILE 38 1HG1 ILE 38 2.941 8.057 1.841 237 HG13 ILE 38 2HG1 ILE 38 2.204 7.636 0.299 238 HG21 ILE 38 1HG2 ILE 38 1.835 9.886 -1.037 239 HG22 ILE 38 2HG2 ILE 38 0.209 9.418 -0.544 240 HG23 ILE 38 3HG2 ILE 38 0.792 11.050 -0.219 241 HD11 ILE 38 1HD1 ILE 38 4.740 8.842 0.830 242 HD12 ILE 38 2HD1 ILE 38 4.079 8.246 -0.693 243 HD13 ILE 38 3HD1 ILE 38 3.768 9.906 -0.187 244 H ILE 39 H ILE 39 0.125 10.718 3.227 245 HA ILE 39 HA ILE 39 -1.336 12.786 2.026 246 HB ILE 39 HB ILE 39 -2.376 11.089 3.460 247 HG12 ILE 39 1HG1 ILE 39 -3.807 12.672 4.821 248 HG13 ILE 39 2HG1 ILE 39 -2.725 13.966 4.316 249 HG21 ILE 39 1HG2 ILE 39 -2.206 11.285 5.912 250 HG22 ILE 39 2HG2 ILE 39 -0.666 10.880 5.156 251 HG23 ILE 39 3HG2 ILE 39 -0.971 12.527 5.707 252 HD11 ILE 39 1HD1 ILE 39 -4.509 12.283 2.582 253 HD12 ILE 39 2HD1 ILE 39 -4.619 14.016 2.895 254 HD13 ILE 39 3HD1 ILE 39 -3.276 13.373 1.950 255 H SER 40 H SER 40 0.992 12.800 4.657 256 HA SER 40 HA SER 40 0.531 15.631 5.171 257 HB2 SER 40 1HB SER 40 1.050 13.735 6.930 258 HB3 SER 40 2HB SER 40 2.723 14.073 6.488 259 HG SER 40 HG SER 40 0.900 16.099 7.254 260 H GLY 41 H GLY 41 1.536 14.910 2.589 261 HA2 GLY 41 1HA GLY 41 4.168 16.244 2.723 262 HA3 GLY 41 2HA GLY 41 3.882 14.884 1.646 263 HA PRO 42 HA PRO 42 3.002 18.981 -0.499 264 HB2 PRO 42 1HB PRO 42 4.911 18.742 -2.414 265 HB3 PRO 42 2HB PRO 42 5.211 19.506 -0.849 266 HG2 PRO 42 1HG PRO 42 5.863 16.729 -1.756 267 HG3 PRO 42 2HG PRO 42 6.854 17.861 -0.818 268 HD2 PRO 42 1HD PRO 42 5.484 15.827 0.330 269 HD3 PRO 42 2HD PRO 42 5.767 17.373 1.155 270 H GLN 43 H GLN 43 1.895 19.188 -2.446 271 HA GLN 43 HA GLN 43 0.321 17.213 -3.379 272 HB2 GLN 43 1HB GLN 43 0.295 19.654 -4.052 273 HB3 GLN 43 2HB GLN 43 1.528 19.257 -5.241 274 HG2 GLN 43 1HG GLN 43 -0.753 19.343 -6.174 275 HG3 GLN 43 2HG GLN 43 0.036 17.781 -6.389 276 HE21 GLN 43 1HE2 GLN 43 -0.675 16.008 -5.183 277 HE22 GLN 43 2HE2 GLN 43 -2.224 15.990 -4.419 278 H GLN 44 H GLN 44 3.630 17.846 -4.413 279 HA GLN 44 HA GLN 44 3.763 16.114 -6.590 280 HB2 GLN 44 1HB GLN 44 5.549 17.665 -6.165 281 HB3 GLN 44 2HB GLN 44 5.885 16.930 -4.604 282 HG2 GLN 44 1HG GLN 44 6.990 15.157 -5.514 283 HG3 GLN 44 2HG GLN 44 6.080 15.222 -7.022 284 HE21 GLN 44 1HE2 GLN 44 8.816 14.910 -6.986 285 HE22 GLN 44 2HE2 GLN 44 9.561 16.328 -7.632 286 H THR 45 H THR 45 4.918 15.440 -3.281 287 HA THR 45 HA THR 45 5.484 12.767 -3.564 288 HB THR 45 HB THR 45 4.424 14.265 -1.172 289 HG1 THR 45 1HG THR 45 6.556 14.753 -1.891 290 HG21 THR 45 1HG2 THR 45 4.580 11.418 -1.546 291 HG22 THR 45 2HG2 THR 45 4.019 12.330 -0.144 292 HG23 THR 45 3HG2 THR 45 5.728 11.932 -0.311 293 H GLN 46 H GLN 46 2.374 14.176 -2.547 294 HA GLN 46 HA GLN 46 0.909 11.897 -2.141 295 HB2 GLN 46 1HB GLN 46 0.083 14.538 -3.338 296 HB3 GLN 46 2HB GLN 46 -1.073 13.266 -2.966 297 HG2 GLN 46 1HG GLN 46 -0.332 13.333 -0.611 298 HG3 GLN 46 2HG GLN 46 0.727 14.684 -1.016 299 HE21 GLN 46 1HE2 GLN 46 -1.274 14.823 0.918 300 HE22 GLN 46 2HE2 GLN 46 -2.480 15.939 0.386 301 H LYS 47 H LYS 47 1.404 13.574 -5.236 302 HA LYS 47 HA LYS 47 -0.113 11.780 -6.796 303 HB2 LYS 47 1HB LYS 47 2.193 13.559 -7.612 304 HB3 LYS 47 2HB LYS 47 1.077 12.773 -8.721 305 HG2 LYS 47 1HG LYS 47 -0.706 14.134 -8.084 306 HG3 LYS 47 2HG LYS 47 0.095 14.639 -6.594 307 HD2 LYS 47 1HD LYS 47 0.288 16.493 -8.008 308 HD3 LYS 47 2HD LYS 47 1.859 15.696 -8.125 309 HE2 LYS 47 1HE LYS 47 1.370 16.122 -10.341 310 HE3 LYS 47 2HE LYS 47 0.787 14.470 -10.151 311 HZ1 LYS 47 1HZ LYS 47 -0.682 16.882 -10.709 312 HZ2 LYS 47 2HZ LYS 47 -1.373 15.943 -9.484 313 HZ3 LYS 47 3HZ LYS 47 -1.096 15.269 -11.011 314 H VAL 48 H VAL 48 3.329 11.899 -5.984 315 HA VAL 48 HA VAL 48 4.309 9.918 -7.638 316 HB VAL 48 HB VAL 48 5.125 10.467 -4.780 317 HG11 VAL 48 1HG1 VAL 48 7.157 9.503 -6.636 318 HG12 VAL 48 2HG1 VAL 48 6.796 8.995 -4.985 319 HG13 VAL 48 3HG1 VAL 48 5.874 8.332 -6.335 320 HG21 VAL 48 1HG2 VAL 48 6.221 12.279 -5.491 321 HG22 VAL 48 2HG2 VAL 48 6.843 11.446 -6.916 322 HG23 VAL 48 3HG2 VAL 48 5.233 12.163 -6.948 323 H PHE 49 H PHE 49 2.747 9.570 -4.475 324 HA PHE 49 HA PHE 49 3.035 6.726 -4.408 325 HB2 PHE 49 1HB PHE 49 2.802 7.513 -2.267 326 HB3 PHE 49 2HB PHE 49 1.684 8.787 -2.742 327 HD1 PHE 49 1HD PHE 49 -0.701 8.227 -3.174 328 HD2 PHE 49 2HD PHE 49 2.028 5.424 -1.498 329 HE1 PHE 49 1HE PHE 49 -2.592 6.869 -2.377 330 HE2 PHE 49 2HE PHE 49 0.142 4.060 -0.699 331 HZ PHE 49 HZ PHE 49 -2.171 4.782 -1.139 332 H LEU 50 H LEU 50 0.360 8.938 -5.140 333 HA LEU 50 HA LEU 50 -1.625 7.015 -5.557 334 HB2 LEU 50 1HB LEU 50 -1.244 9.748 -6.759 335 HB3 LEU 50 2HB LEU 50 -2.695 8.775 -6.991 336 HG LEU 50 HG LEU 50 -1.705 9.688 -4.294 337 HD11 LEU 50 1HD1 LEU 50 -2.601 11.380 -6.208 338 HD12 LEU 50 2HD1 LEU 50 -2.820 11.628 -4.476 339 HD13 LEU 50 3HD1 LEU 50 -4.117 10.914 -5.435 340 HD21 LEU 50 1HD2 LEU 50 -3.402 7.671 -4.845 341 HD22 LEU 50 2HD2 LEU 50 -4.532 9.025 -4.802 342 HD23 LEU 50 3HD2 LEU 50 -3.514 8.680 -3.403 343 H PHE 51 H PHE 51 1.156 7.694 -7.370 344 HA PHE 51 HA PHE 51 0.047 6.593 -9.840 345 HB2 PHE 51 1HB PHE 51 1.419 8.549 -10.142 346 HB3 PHE 51 2HB PHE 51 2.728 7.835 -9.206 347 HD1 PHE 51 1HD PHE 51 3.884 5.784 -10.134 348 HD2 PHE 51 2HD PHE 51 1.278 8.228 -12.448 349 HE1 PHE 51 1HE PHE 51 4.861 4.867 -12.197 350 HE2 PHE 51 2HE PHE 51 2.250 7.314 -14.515 351 HZ PHE 51 HZ PHE 51 4.044 5.630 -14.392 352 H ILE 52 H ILE 52 2.304 5.836 -7.271 353 HA ILE 52 HA ILE 52 3.562 3.615 -8.442 354 HB ILE 52 HB ILE 52 3.035 4.268 -5.545 355 HG12 ILE 52 1HG1 ILE 52 5.693 4.298 -6.938 356 HG13 ILE 52 2HG1 ILE 52 4.596 5.665 -7.102 357 HG21 ILE 52 1HG2 ILE 52 4.848 2.128 -6.652 358 HG22 ILE 52 2HG2 ILE 52 4.624 2.544 -4.953 359 HG23 ILE 52 3HG2 ILE 52 3.294 1.837 -5.870 360 HD11 ILE 52 1HD1 ILE 52 5.202 6.456 -5.130 361 HD12 ILE 52 2HD1 ILE 52 4.859 4.915 -4.344 362 HD13 ILE 52 3HD1 ILE 52 6.440 5.202 -5.070 363 H ARG 53 H ARG 53 0.624 3.874 -6.480 364 HA ARG 53 HA ARG 53 0.135 1.072 -6.379 365 HB2 ARG 53 1HB ARG 53 -1.858 1.598 -5.277 366 HB3 ARG 53 2HB ARG 53 -0.783 2.919 -4.838 367 HG2 ARG 53 1HG ARG 53 -1.850 4.410 -6.328 368 HG3 ARG 53 2HG ARG 53 -2.734 3.100 -7.114 369 HD2 ARG 53 1HD ARG 53 -4.205 2.858 -5.343 370 HD3 ARG 53 2HD ARG 53 -3.097 3.603 -4.191 371 HE ARG 53 HE ARG 53 -3.879 5.681 -4.812 372 HH11 ARG 53 2HH1 ARG 53 -5.093 3.249 -6.987 373 HH12 ARG 53 1HH1 ARG 53 -6.236 4.309 -7.742 374 HH21 ARG 53 2HH2 ARG 53 -5.379 7.087 -5.799 375 HH22 ARG 53 1HH2 ARG 53 -6.397 6.492 -7.067 376 H ASN 54 H ASN 54 -0.999 3.696 -8.458 377 HA ASN 54 HA ASN 54 -2.923 2.246 -9.894 378 HB2 ASN 54 1HB ASN 54 -1.388 4.756 -10.338 379 HB3 ASN 54 2HB ASN 54 -2.169 4.031 -11.739 380 HD21 ASN 54 1HD2 ASN 54 -2.771 5.115 -8.436 381 HD22 ASN 54 2HD2 ASN 54 -4.413 5.582 -8.699 382 H ARG 55 H ARG 55 0.459 2.983 -10.753 383 HA ARG 55 HA ARG 55 0.571 1.550 -13.130 384 HB2 ARG 55 1HB ARG 55 2.312 3.131 -12.162 385 HB3 ARG 55 2HB ARG 55 2.867 1.776 -11.189 386 HG2 ARG 55 1HG ARG 55 4.291 1.804 -13.036 387 HG3 ARG 55 2HG ARG 55 3.132 0.520 -13.390 388 HD2 ARG 55 1HD ARG 55 1.983 1.836 -14.952 389 HD3 ARG 55 2HD ARG 55 2.712 3.328 -14.360 390 HE ARG 55 HE ARG 55 4.565 1.414 -15.487 391 HH11 ARG 55 2HH1 ARG 55 2.522 4.175 -16.059 392 HH12 ARG 55 1HH1 ARG 55 3.380 4.681 -17.476 393 HH21 ARG 55 2HH2 ARG 55 5.704 2.071 -17.352 394 HH22 ARG 55 1HH2 ARG 55 5.190 3.483 -18.211 395 H THR 56 H THR 56 1.475 0.462 -9.861 396 HA THR 56 HA THR 56 2.304 -2.090 -10.371 397 HB THR 56 HB THR 56 0.584 -1.180 -8.056 398 HG1 THR 56 1HG THR 56 2.713 -0.173 -8.421 399 HG21 THR 56 1HG2 THR 56 1.279 -3.130 -6.875 400 HG22 THR 56 2HG2 THR 56 2.392 -3.591 -8.163 401 HG23 THR 56 3HG2 THR 56 0.651 -3.672 -8.431 402 H LEU 57 H LEU 57 -1.033 -0.943 -10.130 403 HA LEU 57 HA LEU 57 -2.205 -3.528 -10.411 404 HB2 LEU 57 1HB LEU 57 -3.240 -0.723 -10.594 405 HB3 LEU 57 2HB LEU 57 -4.263 -2.095 -11.014 406 HG LEU 57 HG LEU 57 -2.916 -1.956 -8.340 407 HD11 LEU 57 1HD1 LEU 57 -4.563 0.058 -9.194 408 HD12 LEU 57 2HD1 LEU 57 -4.303 -0.413 -7.515 409 HD13 LEU 57 3HD1 LEU 57 -5.687 -1.048 -8.404 410 HD21 LEU 57 1HD2 LEU 57 -4.736 -3.382 -7.671 411 HD22 LEU 57 2HD2 LEU 57 -3.979 -4.055 -9.115 412 HD23 LEU 57 3HD2 LEU 57 -5.514 -3.193 -9.242 413 H GLN 58 H GLN 58 -1.573 -0.844 -12.635 414 HA GLN 58 HA GLN 58 -2.839 -1.675 -14.905 415 HB2 GLN 58 1HB GLN 58 -0.316 -0.182 -14.399 416 HB3 GLN 58 2HB GLN 58 -0.614 -0.736 -16.041 417 HG2 GLN 58 1HG GLN 58 -2.797 0.697 -14.631 418 HG3 GLN 58 2HG GLN 58 -1.413 1.629 -15.200 419 HE21 GLN 58 1HE2 GLN 58 -4.416 0.713 -15.996 420 HE22 GLN 58 2HE2 GLN 58 -4.304 0.741 -17.720 421 H LEU 59 H LEU 59 0.475 -2.596 -13.964 422 HA LEU 59 HA LEU 59 0.855 -4.421 -16.080 423 HB2 LEU 59 1HB LEU 59 2.181 -4.548 -13.383 424 HB3 LEU 59 2HB LEU 59 2.804 -5.143 -14.921 425 HG LEU 59 HG LEU 59 2.278 -2.225 -14.640 426 HD11 LEU 59 1HD1 LEU 59 3.705 -3.428 -12.670 427 HD12 LEU 59 2HD1 LEU 59 3.956 -1.773 -13.224 428 HD13 LEU 59 3HD1 LEU 59 4.970 -3.074 -13.847 429 HD21 LEU 59 1HD2 LEU 59 3.694 -2.036 -16.397 430 HD22 LEU 59 2HD2 LEU 59 3.191 -3.704 -16.671 431 HD23 LEU 59 3HD2 LEU 59 4.720 -3.366 -15.858 432 H TRP 60 H TRP 60 -0.753 -4.678 -13.027 433 HA TRP 60 HA TRP 60 -0.714 -7.536 -12.877 434 HB2 TRP 60 1HB TRP 60 -1.075 -6.678 -10.782 435 HB3 TRP 60 2HB TRP 60 -2.028 -5.324 -11.383 436 HD1 TRP 60 HD TRP 60 -4.607 -5.547 -11.268 437 HE1 TRP 60 1HE TRP 60 -6.229 -7.403 -10.524 438 HE3 TRP 60 3HE TRP 60 -1.271 -9.389 -10.769 439 HZ2 TRP 60 2HZ TRP 60 -6.109 -10.133 -9.818 440 HZ3 TRP 60 3HZ TRP 60 -2.106 -11.590 -10.054 441 HH2 TRP 60 HH TRP 60 -4.475 -11.953 -9.589 442 H LEU 61 H LEU 61 -3.016 -5.114 -14.032 443 HA LEU 61 HA LEU 61 -5.076 -6.993 -14.632 444 HB2 LEU 61 1HB LEU 61 -4.574 -4.115 -15.202 445 HB3 LEU 61 2HB LEU 61 -5.796 -4.959 -16.150 446 HG LEU 61 HG LEU 61 -5.825 -4.845 -13.139 447 HD11 LEU 61 1HD1 LEU 61 -6.039 -2.595 -13.771 448 HD12 LEU 61 2HD1 LEU 61 -7.692 -3.168 -13.548 449 HD13 LEU 61 3HD1 LEU 61 -7.030 -2.994 -15.174 450 HD21 LEU 61 1HD2 LEU 61 -7.977 -5.500 -15.148 451 HD22 LEU 61 2HD2 LEU 61 -8.135 -5.527 -13.392 452 HD23 LEU 61 3HD2 LEU 61 -7.075 -6.682 -14.201 453 H ASP 62 H ASP 62 -2.182 -6.078 -16.185 454 HA ASP 62 HA ASP 62 -3.074 -6.867 -18.837 455 HB2 ASP 62 1HB ASP 62 -1.510 -4.981 -18.599 456 HB3 ASP 62 2HB ASP 62 -0.329 -6.055 -17.853 457 H ASN 63 H ASN 63 -1.012 -8.074 -16.243 458 HA ASN 63 HA ASN 63 -1.031 -10.703 -17.554 459 HB2 ASN 63 1HB ASN 63 1.207 -9.262 -17.616 460 HB3 ASN 63 2HB ASN 63 1.387 -9.923 -15.993 461 HD21 ASN 63 1HD2 ASN 63 2.383 -11.792 -15.842 462 HD22 ASN 63 2HD2 ASN 63 2.555 -12.959 -17.104 463 HA PRO 64 HA PRO 64 -2.268 -10.655 -12.985 464 HB2 PRO 64 1HB PRO 64 -4.857 -11.392 -13.336 465 HB3 PRO 64 2HB PRO 64 -4.334 -9.704 -13.310 466 HG2 PRO 64 1HG PRO 64 -4.923 -11.468 -15.656 467 HG3 PRO 64 2HG PRO 64 -5.373 -9.774 -15.389 468 HD2 PRO 64 1HD PRO 64 -3.284 -10.497 -16.952 469 HD3 PRO 64 2HD PRO 64 -3.296 -8.992 -16.010 470 H LYS 65 H LYS 65 -1.732 -12.716 -15.467 471 HA LYS 65 HA LYS 65 -2.824 -15.126 -14.301 472 HB2 LYS 65 1HB LYS 65 -1.620 -16.256 -16.170 473 HB3 LYS 65 2HB LYS 65 -2.742 -15.011 -16.701 474 HG2 LYS 65 1HG LYS 65 -1.095 -13.662 -17.482 475 HG3 LYS 65 2HG LYS 65 0.072 -14.198 -16.272 476 HD2 LYS 65 1HD LYS 65 0.714 -16.026 -17.505 477 HD3 LYS 65 2HD LYS 65 -0.837 -16.142 -18.340 478 HE2 LYS 65 1HE LYS 65 -0.302 -14.298 -19.748 479 HE3 LYS 65 2HE LYS 65 1.121 -13.898 -18.789 480 HZ1 LYS 65 1HZ LYS 65 1.960 -15.006 -20.634 481 HZ2 LYS 65 2HZ LYS 65 0.729 -16.166 -20.639 482 HZ3 LYS 65 3HZ LYS 65 1.927 -16.211 -19.446 483 H ILE 66 H ILE 66 -0.249 -13.221 -13.566 484 HA ILE 66 HA ILE 66 1.146 -15.462 -12.288 485 HB ILE 66 HB ILE 66 3.291 -14.765 -12.930 486 HG12 ILE 66 1HG1 ILE 66 2.017 -12.253 -14.036 487 HG13 ILE 66 2HG1 ILE 66 3.001 -12.362 -12.581 488 HG21 ILE 66 1HG2 ILE 66 1.474 -15.549 -14.810 489 HG22 ILE 66 2HG2 ILE 66 2.174 -14.111 -15.552 490 HG23 ILE 66 3HG2 ILE 66 3.217 -15.447 -15.062 491 HD11 ILE 66 1HD1 ILE 66 4.188 -13.285 -15.136 492 HD12 ILE 66 2HD1 ILE 66 3.998 -11.551 -14.875 493 HD13 ILE 66 3HD1 ILE 66 4.947 -12.514 -13.744 494 H GLN 67 H GLN 67 2.047 -15.012 -10.299 495 HA GLN 67 HA GLN 67 0.895 -12.947 -8.787 496 HB2 GLN 67 1HB GLN 67 2.095 -13.783 -6.967 497 HB3 GLN 67 2HB GLN 67 1.907 -15.188 -8.007 498 HG2 GLN 67 1HG GLN 67 4.362 -13.455 -7.829 499 HG3 GLN 67 2HG GLN 67 4.154 -15.033 -7.070 500 HE21 GLN 67 1HE2 GLN 67 5.435 -13.475 -9.656 501 HE22 GLN 67 2HE2 GLN 67 5.537 -14.791 -10.770 502 H LEU 68 H LEU 68 1.410 -10.875 -8.563 503 HA LEU 68 HA LEU 68 3.774 -9.838 -9.873 504 HB2 LEU 68 1HB LEU 68 1.430 -8.807 -9.901 505 HB3 LEU 68 2HB LEU 68 1.796 -8.247 -8.270 506 HG LEU 68 HG LEU 68 3.673 -6.942 -9.137 507 HD11 LEU 68 1HD1 LEU 68 4.556 -7.871 -11.006 508 HD12 LEU 68 2HD1 LEU 68 3.487 -6.704 -11.783 509 HD13 LEU 68 3HD1 LEU 68 2.988 -8.388 -11.627 510 HD21 LEU 68 1HD2 LEU 68 1.415 -5.955 -8.986 511 HD22 LEU 68 2HD2 LEU 68 1.130 -6.408 -10.667 512 HD23 LEU 68 3HD2 LEU 68 2.390 -5.239 -10.269 513 H THR 69 H THR 69 5.601 -10.204 -8.744 514 HA THR 69 HA THR 69 5.718 -10.044 -5.883 515 HB THR 69 HB THR 69 8.092 -10.469 -6.108 516 HG1 THR 69 1HG THR 69 8.096 -9.079 -8.174 517 HG21 THR 69 1HG2 THR 69 8.018 -12.601 -7.140 518 HG22 THR 69 2HG2 THR 69 6.719 -12.111 -8.227 519 HG23 THR 69 3HG2 THR 69 6.399 -12.315 -6.506 520 H PHE 70 H PHE 70 7.453 -8.661 -4.833 521 HA PHE 70 HA PHE 70 6.834 -5.937 -5.255 522 HB2 PHE 70 1HB PHE 70 7.417 -6.462 -3.053 523 HB3 PHE 70 2HB PHE 70 8.830 -7.389 -3.546 524 HD1 PHE 70 2HD PHE 70 7.499 -4.052 -2.887 525 HD2 PHE 70 1HD PHE 70 10.919 -6.294 -4.070 526 HE1 PHE 70 2HE PHE 70 8.922 -2.084 -2.492 527 HE2 PHE 70 1HE PHE 70 12.347 -4.330 -3.675 528 HZ PHE 70 HZ PHE 70 11.349 -2.221 -2.886 529 H GLU 71 H GLU 71 9.670 -7.897 -6.060 530 HA GLU 71 HA GLU 71 11.343 -5.876 -6.990 531 HB2 GLU 71 1HB GLU 71 11.079 -8.780 -7.734 532 HB3 GLU 71 2HB GLU 71 12.287 -7.745 -8.481 533 HG2 GLU 71 1HG GLU 71 13.526 -8.605 -6.790 534 HG3 GLU 71 2HG GLU 71 12.864 -7.193 -5.969 535 H ALA 72 H ALA 72 9.433 -8.071 -9.056 536 HA ALA 72 HA ALA 72 9.729 -6.916 -11.477 537 HB1 ALA 72 1HB ALA 72 7.084 -7.480 -11.614 538 HB2 ALA 72 2HB ALA 72 8.367 -8.685 -11.738 539 HB3 ALA 72 3HB ALA 72 7.554 -8.418 -10.196 540 H THR 73 H THR 73 7.064 -6.018 -9.275 541 HA THR 73 HA THR 73 6.017 -3.907 -10.673 542 HB THR 73 HB THR 73 6.333 -4.085 -7.670 543 HG1 THR 73 1HG THR 73 5.072 -5.764 -8.152 544 HG21 THR 73 1HG2 THR 73 4.750 -2.265 -9.447 545 HG22 THR 73 2HG2 THR 73 5.709 -1.875 -8.019 546 HG23 THR 73 3HG2 THR 73 4.152 -2.683 -7.842 547 H LEU 74 H LEU 74 8.788 -3.861 -8.467 548 HA LEU 74 HA LEU 74 9.217 -1.068 -8.565 549 HB2 LEU 74 1HB LEU 74 10.222 -2.167 -6.776 550 HB3 LEU 74 2HB LEU 74 10.904 -3.422 -7.809 551 HG LEU 74 HG LEU 74 12.302 -1.396 -8.763 552 HD11 LEU 74 1HD1 LEU 74 10.892 -0.003 -6.939 553 HD12 LEU 74 2HD1 LEU 74 12.505 0.448 -7.489 554 HD13 LEU 74 3HD1 LEU 74 12.305 -0.439 -5.979 555 HD21 LEU 74 1HD2 LEU 74 13.001 -3.513 -7.474 556 HD22 LEU 74 2HD2 LEU 74 13.083 -2.451 -6.068 557 HD23 LEU 74 3HD2 LEU 74 14.097 -2.132 -7.476 558 H GLN 75 H GLN 75 10.993 -3.714 -10.173 559 HA GLN 75 HA GLN 75 12.702 -2.244 -11.727 560 HB2 GLN 75 1HB GLN 75 11.269 -4.810 -12.421 561 HB3 GLN 75 2HB GLN 75 12.604 -4.150 -13.357 562 HG2 GLN 75 1HG GLN 75 12.961 -4.616 -10.437 563 HG3 GLN 75 2HG GLN 75 13.018 -5.982 -11.549 564 HE21 GLN 75 1HE2 GLN 75 14.829 -3.703 -10.020 565 HE22 GLN 75 2HE2 GLN 75 16.218 -3.702 -11.047 566 H GLN 76 H GLN 76 9.367 -3.168 -12.520 567 HA GLN 76 HA GLN 76 9.319 -1.960 -15.069 568 HB2 GLN 76 1HB GLN 76 7.070 -2.608 -13.158 569 HB3 GLN 76 2HB GLN 76 6.837 -2.094 -14.824 570 HG2 GLN 76 1HG GLN 76 7.615 -4.075 -15.691 571 HG3 GLN 76 2HG GLN 76 8.552 -4.461 -14.248 572 HE21 GLN 76 1HE2 GLN 76 6.951 -4.488 -12.225 573 HE22 GLN 76 2HE2 GLN 76 5.604 -5.549 -12.438 574 H LEU 77 H LEU 77 8.572 -0.764 -11.844 575 HA LEU 77 HA LEU 77 7.368 1.662 -12.580 576 HB2 LEU 77 1HB LEU 77 8.643 0.557 -10.156 577 HB3 LEU 77 2HB LEU 77 8.542 2.314 -10.250 578 HG LEU 77 HG LEU 77 6.095 0.647 -10.686 579 HD11 LEU 77 1HD1 LEU 77 6.641 1.648 -7.958 580 HD12 LEU 77 2HD1 LEU 77 7.496 0.192 -8.463 581 HD13 LEU 77 3HD1 LEU 77 5.734 0.233 -8.490 582 HD21 LEU 77 1HD2 LEU 77 6.763 3.442 -10.397 583 HD22 LEU 77 2HD2 LEU 77 5.554 2.944 -9.214 584 HD23 LEU 77 3HD2 LEU 77 5.260 2.692 -10.935 585 H GLU 78 H GLU 78 8.346 3.847 -12.159 586 HA GLU 78 HA GLU 78 11.186 3.967 -12.890 587 HB2 GLU 78 1HB GLU 78 10.702 5.774 -14.503 588 HB3 GLU 78 2HB GLU 78 9.969 4.245 -14.969 589 HG2 GLU 78 1HG GLU 78 7.813 4.996 -14.173 590 HG3 GLU 78 2HG GLU 78 8.526 6.503 -13.599 591 H ALA 79 H ALA 79 12.267 5.233 -11.543 592 HA ALA 79 HA ALA 79 11.300 6.544 -9.368 593 HB1 ALA 79 1HB ALA 79 13.581 6.372 -9.329 594 HB2 ALA 79 2HB ALA 79 13.761 6.906 -11.001 595 HB3 ALA 79 3HB ALA 79 13.405 8.080 -9.734 596 HA PRO 80 HA PRO 80 12.188 8.531 -8.232 597 HB2 PRO 80 1HB PRO 80 10.502 9.995 -6.689 598 HB3 PRO 80 2HB PRO 80 11.812 10.716 -7.632 599 HG2 PRO 80 1HG PRO 80 8.895 10.529 -8.278 600 HG3 PRO 80 2HG PRO 80 10.000 11.900 -8.484 601 HD2 PRO 80 1HD PRO 80 9.286 10.283 -10.535 602 HD3 PRO 80 2HD PRO 80 10.881 11.057 -10.441 603 H TYR 81 H TYR 81 9.079 7.737 -9.349 604 HA TYR 81 HA TYR 81 7.686 6.749 -7.229 605 HB2 TYR 81 1HB TYR 81 7.987 5.189 -9.794 606 HB3 TYR 81 2HB TYR 81 6.587 5.259 -8.729 607 HD1 TYR 81 1HD TYR 81 6.433 8.214 -8.300 608 HD2 TYR 81 2HD TYR 81 7.104 5.941 -11.833 609 HE1 TYR 81 1HE TYR 81 5.495 10.045 -9.649 610 HE2 TYR 81 2HE TYR 81 6.170 7.766 -13.192 611 HH TYR 81 HH TYR 81 4.667 9.673 -12.928 612 H ASN 82 H ASN 82 9.984 4.795 -9.139 613 HA ASN 82 HA ASN 82 10.022 2.687 -7.214 614 HB2 ASN 82 1HB ASN 82 11.342 1.539 -8.712 615 HB3 ASN 82 2HB ASN 82 10.571 2.689 -9.802 616 HD21 ASN 82 1HD2 ASN 82 11.928 3.498 -11.209 617 HD22 ASN 82 2HD2 ASN 82 13.591 3.874 -10.931 618 H SER 83 H SER 83 12.047 5.470 -7.900 619 HA SER 83 HA SER 83 14.391 5.057 -6.698 620 HB2 SER 83 1HB SER 83 13.591 7.264 -7.540 621 HB3 SER 83 2HB SER 83 12.671 7.462 -6.048 622 HG SER 83 HG SER 83 15.477 7.059 -6.152 623 H ASP 84 H ASP 84 11.401 5.741 -4.903 624 HA ASP 84 HA ASP 84 12.732 5.126 -2.386 625 HB2 ASP 84 1HB ASP 84 9.913 6.047 -2.981 626 HB3 ASP 84 2HB ASP 84 10.562 5.788 -1.364 627 H THR 85 H THR 85 13.112 2.900 -2.668 628 HA THR 85 HA THR 85 11.294 0.965 -3.448 629 HB THR 85 HB THR 85 12.633 -0.603 -1.954 630 HG1 THR 85 1HG THR 85 13.387 0.805 -0.395 631 HG21 THR 85 1HG2 THR 85 13.539 -0.746 -4.015 632 HG22 THR 85 2HG2 THR 85 14.850 0.197 -3.306 633 HG23 THR 85 3HG2 THR 85 13.582 1.003 -4.228 634 H VAL 86 H VAL 86 11.875 2.276 -0.201 635 HA VAL 86 HA VAL 86 10.262 0.648 1.314 636 HB VAL 86 HB VAL 86 11.706 2.633 2.066 637 HG11 VAL 86 1HG1 VAL 86 9.109 4.051 1.495 638 HG12 VAL 86 2HG1 VAL 86 10.403 4.710 2.498 639 HG13 VAL 86 3HG1 VAL 86 10.688 4.389 0.787 640 HG21 VAL 86 1HG2 VAL 86 10.350 2.939 4.113 641 HG22 VAL 86 2HG2 VAL 86 9.007 2.123 3.313 642 HG23 VAL 86 3HG2 VAL 86 10.504 1.248 3.636 643 H LEU 87 H LEU 87 9.312 3.370 -0.720 644 HA LEU 87 HA LEU 87 6.584 3.391 0.085 645 HB2 LEU 87 1HB LEU 87 8.009 5.197 -1.133 646 HB3 LEU 87 2HB LEU 87 7.505 4.349 -2.593 647 HG LEU 87 HG LEU 87 5.207 4.861 -2.183 648 HD11 LEU 87 1HD1 LEU 87 6.192 5.776 0.497 649 HD12 LEU 87 2HD1 LEU 87 4.918 4.617 0.121 650 HD13 LEU 87 3HD1 LEU 87 4.658 6.337 -0.169 651 HD21 LEU 87 1HD2 LEU 87 5.340 7.398 -2.001 652 HD22 LEU 87 2HD2 LEU 87 6.263 6.637 -3.297 653 HD23 LEU 87 3HD2 LEU 87 7.082 7.182 -1.833 654 H VAL 88 H VAL 88 8.271 2.051 -2.742 655 HA VAL 88 HA VAL 88 6.054 1.006 -4.070 656 HB VAL 88 HB VAL 88 8.866 -0.098 -4.001 657 HG11 VAL 88 1HG1 VAL 88 6.562 -0.619 -5.870 658 HG12 VAL 88 2HG1 VAL 88 8.235 -1.046 -6.231 659 HG13 VAL 88 3HG1 VAL 88 7.413 -1.785 -4.857 660 HG21 VAL 88 1HG2 VAL 88 9.318 1.239 -5.905 661 HG22 VAL 88 2HG2 VAL 88 7.623 1.692 -6.078 662 HG23 VAL 88 3HG2 VAL 88 8.565 2.304 -4.719 663 H HIS 89 H HIS 89 7.801 -0.174 -1.298 664 HA HIS 89 HA HIS 89 6.706 -2.826 -1.393 665 HB2 HIS 89 1HB HIS 89 8.901 -2.091 -0.280 666 HB3 HIS 89 2HB HIS 89 7.894 -1.512 1.044 667 HD1 HIS 89 1HD HIS 89 6.167 -3.531 1.950 668 HD2 HIS 89 2HD HIS 89 9.720 -4.631 0.099 669 HE1 HIS 89 1HE HIS 89 6.594 -5.902 2.670 670 HE2 HIS 89 2HE HIS 89 8.793 -6.517 1.606 671 H ARG 90 H ARG 90 5.960 0.175 0.299 672 HA ARG 90 HA ARG 90 3.931 -0.958 1.956 673 HB2 ARG 90 1HB ARG 90 4.545 1.901 1.193 674 HB3 ARG 90 2HB ARG 90 3.310 1.442 2.359 675 HG2 ARG 90 1HG ARG 90 4.883 0.669 3.900 676 HG3 ARG 90 2HG ARG 90 6.159 0.575 2.684 677 HD2 ARG 90 1HD ARG 90 6.783 2.509 3.706 678 HD3 ARG 90 2HD ARG 90 5.666 3.175 2.515 679 HE ARG 90 HE ARG 90 4.041 2.758 4.592 680 HH11 ARG 90 2HH1 ARG 90 7.187 4.237 4.401 681 HH12 ARG 90 1HH1 ARG 90 6.905 5.315 5.727 682 HH21 ARG 90 2HH2 ARG 90 3.658 4.172 6.340 683 HH22 ARG 90 1HH2 ARG 90 4.898 5.277 6.831 684 H VAL 91 H VAL 91 3.998 0.564 -1.203 685 HA VAL 91 HA VAL 91 1.173 0.873 -1.450 686 HB VAL 91 HB VAL 91 3.343 0.816 -3.550 687 HG11 VAL 91 1HG1 VAL 91 0.510 0.641 -3.853 688 HG12 VAL 91 2HG1 VAL 91 1.062 2.201 -4.466 689 HG13 VAL 91 3HG1 VAL 91 1.757 0.707 -5.098 690 HG21 VAL 91 1HG2 VAL 91 3.523 2.678 -1.993 691 HG22 VAL 91 2HG2 VAL 91 3.014 3.249 -3.583 692 HG23 VAL 91 3HG2 VAL 91 1.835 3.101 -2.280 693 H HIS 92 H HIS 92 3.465 -1.416 -2.947 694 HA HIS 92 HA HIS 92 1.565 -3.023 -4.210 695 HB2 HIS 92 1HB HIS 92 4.033 -3.079 -4.618 696 HB3 HIS 92 2HB HIS 92 4.221 -3.939 -3.093 697 HD1 HIS 92 1HD HIS 92 3.089 -6.360 -2.992 698 HD2 HIS 92 2HD HIS 92 3.396 -4.651 -6.767 699 HE1 HIS 92 1HE HIS 92 2.753 -8.251 -4.616 700 HE2 HIS 92 2HE HIS 92 3.028 -7.208 -6.892 701 H SER 93 H SER 93 2.486 -2.818 -0.892 702 HA SER 93 HA SER 93 1.494 -5.406 -0.137 703 HB2 SER 93 1HB SER 93 1.644 -4.290 2.219 704 HB3 SER 93 2HB SER 93 3.130 -4.632 1.335 705 HG SER 93 HG SER 93 1.900 -2.189 1.885 706 H TYR 94 H TYR 94 0.393 -2.102 0.650 707 HA TYR 94 HA TYR 94 -2.007 -2.699 1.825 708 HB2 TYR 94 1HB TYR 94 -1.589 -0.451 1.931 709 HB3 TYR 94 2HB TYR 94 -0.985 -0.375 0.279 710 HD1 TYR 94 2HD TYR 94 -2.583 -0.247 -1.615 711 HD2 TYR 94 1HD TYR 94 -3.886 -0.034 2.430 712 HE1 TYR 94 2HE TYR 94 -4.733 0.684 -2.362 713 HE2 TYR 94 1HE TYR 94 -6.040 0.897 1.693 714 HH TYR 94 HH TYR 94 -7.094 0.803 -1.476 715 H LEU 95 H LEU 95 -1.176 -2.851 -1.550 716 HA LEU 95 HA LEU 95 -3.856 -2.977 -2.534 717 HB2 LEU 95 1HB LEU 95 -1.211 -3.746 -3.750 718 HB3 LEU 95 2HB LEU 95 -2.744 -3.830 -4.615 719 HG LEU 95 HG LEU 95 -1.659 -1.276 -3.445 720 HD11 LEU 95 1HD1 LEU 95 -1.429 -1.194 -6.225 721 HD12 LEU 95 2HD1 LEU 95 -0.742 -2.745 -5.744 722 HD13 LEU 95 3HD1 LEU 95 -0.121 -1.251 -5.044 723 HD21 LEU 95 1HD2 LEU 95 -3.189 -0.444 -5.387 724 HD22 LEU 95 2HD2 LEU 95 -3.899 -0.922 -3.845 725 HD23 LEU 95 3HD2 LEU 95 -3.940 -2.030 -5.217 726 H GLU 96 H GLU 96 -1.311 -5.481 -2.513 727 HA GLU 96 HA GLU 96 -2.943 -7.647 -3.066 728 HB2 GLU 96 1HB GLU 96 -0.522 -7.812 -3.134 729 HB3 GLU 96 2HB GLU 96 -0.424 -7.549 -1.398 730 HG2 GLU 96 1HG GLU 96 -1.714 -9.660 -1.083 731 HG3 GLU 96 2HG GLU 96 -1.572 -9.939 -2.817 732 H ARG 97 H ARG 97 -2.051 -6.294 0.089 733 HA ARG 97 HA ARG 97 -3.219 -8.161 1.755 734 HB2 ARG 97 1HB ARG 97 -2.732 -5.218 1.993 735 HB3 ARG 97 2HB ARG 97 -3.652 -6.042 3.245 736 HG2 ARG 97 1HG ARG 97 -1.748 -7.611 3.532 737 HG3 ARG 97 2HG ARG 97 -0.830 -6.633 2.385 738 HD2 ARG 97 1HD ARG 97 -0.163 -5.844 4.483 739 HD3 ARG 97 2HD ARG 97 -1.349 -4.663 3.929 740 HE ARG 97 HE ARG 97 -2.747 -5.304 5.636 741 HH11 ARG 97 2HH1 ARG 97 -0.154 -7.606 5.322 742 HH12 ARG 97 1HH1 ARG 97 -0.543 -8.440 6.790 743 HH21 ARG 97 2HH2 ARG 97 -3.269 -6.394 7.570 744 HH22 ARG 97 1HH2 ARG 97 -2.315 -7.751 8.067 745 H HIS 98 H HIS 98 -4.723 -5.340 0.217 746 HA HIS 98 HA HIS 98 -7.318 -5.959 1.316 747 HB2 HIS 98 1HB HIS 98 -6.432 -3.922 -0.736 748 HB3 HIS 98 2HB HIS 98 -8.079 -4.061 -0.127 749 HD1 HIS 98 1HD HIS 98 -7.831 -1.608 0.785 750 HD2 HIS 98 2HD HIS 98 -5.295 -4.398 2.531 751 HE1 HIS 98 1HE HIS 98 -6.945 -0.503 2.862 752 HE2 HIS 98 2HE HIS 98 -5.347 -2.177 3.856 753 H GLY 99 H GLY 99 -5.721 -7.705 -0.706 754 HA2 GLY 99 1HA GLY 99 -6.250 -9.167 -2.394 755 HA3 GLY 99 2HA GLY 99 -7.926 -8.921 -1.926 756 H LEU 100 H LEU 100 -5.625 -6.562 -3.225 757 HA LEU 100 HA LEU 100 -7.540 -5.995 -5.369 758 HB2 LEU 100 1HB LEU 100 -5.162 -4.423 -4.386 759 HB3 LEU 100 2HB LEU 100 -6.248 -3.919 -5.680 760 HG LEU 100 HG LEU 100 -6.656 -3.906 -2.736 761 HD11 LEU 100 1HD1 LEU 100 -6.142 -1.836 -3.821 762 HD12 LEU 100 2HD1 LEU 100 -7.838 -1.802 -3.339 763 HD13 LEU 100 3HD1 LEU 100 -7.406 -2.095 -5.024 764 HD21 LEU 100 1HD2 LEU 100 -8.768 -4.544 -4.763 765 HD22 LEU 100 2HD2 LEU 100 -9.162 -3.654 -3.292 766 HD23 LEU 100 3HD2 LEU 100 -8.478 -5.277 -3.185 767 H ILE 101 H ILE 101 -4.569 -7.534 -4.810 768 HA ILE 101 HA ILE 101 -4.238 -8.008 -7.654 769 HB ILE 101 HB ILE 101 -1.827 -7.467 -7.625 770 HG12 ILE 101 1HG1 ILE 101 -2.321 -5.930 -5.085 771 HG13 ILE 101 2HG1 ILE 101 -1.756 -7.597 -5.046 772 HG21 ILE 101 1HG2 ILE 101 -2.118 -5.240 -8.156 773 HG22 ILE 101 2HG2 ILE 101 -3.764 -5.859 -8.279 774 HG23 ILE 101 3HG2 ILE 101 -3.263 -4.968 -6.842 775 HD11 ILE 101 1HD1 ILE 101 0.013 -6.534 -6.770 776 HD12 ILE 101 2HD1 ILE 101 -0.333 -5.131 -5.759 777 HD13 ILE 101 3HD1 ILE 101 0.261 -6.621 -5.026 778 H ASN 102 H ASN 102 -3.160 -9.912 -8.127 779 HA ASN 102 HA ASN 102 -2.372 -12.020 -7.799 780 HB2 ASN 102 1HB ASN 102 -1.351 -10.885 -5.185 781 HB3 ASN 102 2HB ASN 102 -0.861 -12.421 -5.893 782 HD21 ASN 102 1HD2 ASN 102 1.257 -11.284 -5.589 783 HD22 ASN 102 2HD2 ASN 102 1.832 -10.331 -6.911 784 H PHE 103 H PHE 103 -4.961 -11.918 -7.426 785 HA PHE 103 HA PHE 103 -5.448 -13.459 -4.962 786 HB2 PHE 103 1HB PHE 103 -7.866 -12.610 -5.255 787 HB3 PHE 103 2HB PHE 103 -6.666 -11.483 -4.630 788 HD1 PHE 103 1HD PHE 103 -8.030 -12.593 -7.922 789 HD2 PHE 103 2HD PHE 103 -6.664 -9.367 -5.505 790 HE1 PHE 103 1HE PHE 103 -8.585 -11.012 -9.724 791 HE2 PHE 103 2HE PHE 103 -7.218 -7.781 -7.302 792 HZ PHE 103 HZ PHE 103 -8.180 -8.602 -9.415 793 H GLY 104 H GLY 104 -4.586 -14.612 -7.390 794 HA2 GLY 104 1HA GLY 104 -6.592 -16.604 -7.730 795 HA3 GLY 104 2HA GLY 104 -6.536 -15.532 -9.121 796 H ILE 105 H ILE 105 -3.894 -15.040 -9.449 797 HA ILE 105 HA ILE 105 -2.887 -16.950 -11.010 798 HB ILE 105 HB ILE 105 -0.674 -16.144 -10.653 799 HG12 ILE 105 1HG1 ILE 105 -0.744 -16.410 -8.152 800 HG13 ILE 105 2HG1 ILE 105 0.049 -14.940 -8.709 801 HG21 ILE 105 1HG2 ILE 105 -1.666 -13.567 -9.999 802 HG22 ILE 105 2HG2 ILE 105 -1.266 -14.222 -11.586 803 HG23 ILE 105 3HG2 ILE 105 -2.897 -14.406 -10.942 804 HD11 ILE 105 1HD1 ILE 105 -1.247 -13.851 -7.281 805 HD12 ILE 105 2HD1 ILE 105 -2.593 -14.197 -8.367 806 HD13 ILE 105 3HD1 ILE 105 -2.258 -15.269 -7.007 807 H TYR 106 H TYR 106 -2.841 -17.037 -7.502 808 HA TYR 106 HA TYR 106 -1.878 -19.815 -7.652 809 HB2 TYR 106 1HB TYR 106 -0.854 -19.337 -5.343 810 HB3 TYR 106 2HB TYR 106 -0.022 -18.690 -6.752 811 HD1 TYR 106 1HD TYR 106 -2.842 -17.565 -4.560 812 HD2 TYR 106 2HD TYR 106 0.867 -16.599 -6.406 813 HE1 TYR 106 1HE TYR 106 -2.949 -15.312 -3.579 814 HE2 TYR 106 2HE TYR 106 0.772 -14.343 -5.430 815 HH TYR 106 HH TYR 106 -0.675 -13.421 -3.065 816 H LYS 107 H LYS 107 -2.531 -21.156 -5.812 817 HA LYS 107 HA LYS 107 -5.297 -20.893 -5.268 818 HB2 LYS 107 1HB LYS 107 -3.732 -23.007 -5.342 819 HB3 LYS 107 2HB LYS 107 -3.532 -22.668 -3.628 820 HG2 LYS 107 1HG LYS 107 -5.975 -22.786 -3.346 821 HG3 LYS 107 2HG LYS 107 -6.130 -23.204 -5.054 822 HD2 LYS 107 1HD LYS 107 -6.204 -25.247 -3.858 823 HD3 LYS 107 2HD LYS 107 -4.599 -25.159 -4.588 824 HE2 LYS 107 1HE LYS 107 -3.562 -24.731 -2.559 825 HE3 LYS 107 2HE LYS 107 -5.047 -24.147 -1.809 826 HZ1 LYS 107 1HZ LYS 107 -4.434 -26.319 -0.963 827 HZ2 LYS 107 2HZ LYS 107 -4.460 -26.970 -2.524 828 HZ3 LYS 107 3HZ LYS 107 -5.892 -26.414 -1.815 829 H ARG 108 H ARG 108 -5.361 -18.765 -4.307 830 HA ARG 108 HA ARG 108 -4.682 -18.820 -1.441 831 HB2 ARG 108 1HB ARG 108 -3.209 -17.265 -2.620 832 HB3 ARG 108 2HB ARG 108 -4.603 -16.444 -3.309 833 HG2 ARG 108 1HG ARG 108 -4.473 -16.640 -0.358 834 HG3 ARG 108 2HG ARG 108 -3.333 -15.553 -1.155 835 HD2 ARG 108 1HD ARG 108 -5.243 -14.490 -2.325 836 HD3 ARG 108 2HD ARG 108 -6.338 -15.515 -1.398 837 HE ARG 108 HE ARG 108 -4.957 -14.323 0.549 838 HH11 ARG 108 2HH1 ARG 108 -6.464 -13.031 -2.312 839 HH12 ARG 108 1HH1 ARG 108 -6.798 -11.489 -1.598 840 HH21 ARG 108 2HH2 ARG 108 -5.392 -12.296 1.500 841 HH22 ARG 108 1HH2 ARG 108 -6.187 -11.071 0.570 842 H ILE 109 H ILE 109 -6.098 -17.627 -0.044 843 HA ILE 109 HA ILE 109 -8.710 -18.136 -0.114 844 HB ILE 109 HB ILE 109 -7.566 -15.497 0.805 845 HG12 ILE 109 1HG1 ILE 109 -8.253 -17.790 2.603 846 HG13 ILE 109 2HG1 ILE 109 -6.730 -17.819 1.721 847 HG21 ILE 109 1HG2 ILE 109 -9.579 -15.653 2.394 848 HG22 ILE 109 2HG2 ILE 109 -9.867 -15.146 0.731 849 HG23 ILE 109 3HG2 ILE 109 -10.231 -16.800 1.224 850 HD11 ILE 109 1HD1 ILE 109 -7.589 -16.118 3.973 851 HD12 ILE 109 2HD1 ILE 109 -6.008 -16.807 3.602 852 HD13 ILE 109 3HD1 ILE 109 -6.566 -15.368 2.748 853 H LYS 110 H LYS 110 -10.151 -17.948 -1.691 854 HA LYS 110 HA LYS 110 -9.976 -16.050 -3.787 855 HB2 LYS 110 1HB LYS 110 -11.216 -18.397 -3.583 856 HB3 LYS 110 2HB LYS 110 -12.576 -17.365 -3.164 857 HG2 LYS 110 1HG LYS 110 -10.994 -16.721 -5.599 858 HG3 LYS 110 2HG LYS 110 -12.124 -18.077 -5.645 859 HD2 LYS 110 1HD LYS 110 -13.094 -15.510 -4.509 860 HD3 LYS 110 2HD LYS 110 -12.860 -15.596 -6.257 861 HE2 LYS 110 1HE LYS 110 -15.164 -16.179 -5.492 862 HE3 LYS 110 2HE LYS 110 -14.370 -17.437 -6.439 863 HZ1 LYS 110 1HZ LYS 110 -13.720 -18.437 -4.234 864 HZ2 LYS 110 2HZ LYS 110 -15.363 -18.519 -4.627 865 HZ3 LYS 110 3HZ LYS 110 -14.816 -17.369 -3.513 866 HA PRO 111 HA PRO 111 -11.872 -12.553 -1.872 867 HB2 PRO 111 1HB PRO 111 -12.470 -11.166 -4.127 868 HB3 PRO 111 2HB PRO 111 -10.826 -11.302 -3.491 869 HG2 PRO 111 1HG PRO 111 -12.132 -12.835 -5.705 870 HG3 PRO 111 2HG PRO 111 -10.501 -12.143 -5.634 871 HD2 PRO 111 1HD PRO 111 -10.988 -14.772 -5.203 872 HD3 PRO 111 2HD PRO 111 -9.675 -13.898 -4.389 873 H LEU 112 H LEU 112 -13.916 -11.084 -2.565 874 HA LEU 112 HA LEU 112 -16.143 -12.849 -3.292 875 HB2 LEU 112 1HB LEU 112 -16.569 -10.909 -1.085 876 HB3 LEU 112 2HB LEU 112 -17.363 -12.450 -1.402 877 HG LEU 112 HG LEU 112 -14.526 -12.283 -0.421 878 HD11 LEU 112 1HD1 LEU 112 -16.638 -12.945 1.512 879 HD12 LEU 112 2HD1 LEU 112 -16.571 -11.254 1.016 880 HD13 LEU 112 3HD1 LEU 112 -15.149 -12.023 1.722 881 HD21 LEU 112 1HD2 LEU 112 -15.690 -14.562 0.542 882 HD22 LEU 112 2HD2 LEU 112 -14.690 -14.461 -0.907 883 HD23 LEU 112 3HD2 LEU 112 -16.448 -14.395 -1.041 884 HA PRO 113 HA PRO 113 -17.572 -9.473 -5.708 885 HB2 PRO 113 1HB PRO 113 -20.258 -9.851 -5.603 886 HB3 PRO 113 2HB PRO 113 -19.176 -10.897 -6.532 887 HG2 PRO 113 1HG PRO 113 -20.367 -11.334 -3.820 888 HG3 PRO 113 2HG PRO 113 -20.193 -12.478 -5.163 889 HD2 PRO 113 1HD PRO 113 -18.503 -12.447 -3.047 890 HD3 PRO 113 2HD PRO 113 -17.979 -12.901 -4.681 891 H THR 114 H THR 114 -17.992 -7.363 -5.406 892 HA THR 114 HA THR 114 -19.052 -6.543 -2.789 893 HB THR 114 HB THR 114 -16.807 -5.700 -3.288 894 HG1 THR 114 1HG THR 114 -18.542 -4.378 -2.212 895 HG21 THR 114 1HG2 THR 114 -17.801 -3.890 -5.415 896 HG22 THR 114 2HG2 THR 114 -17.523 -5.574 -5.863 897 HG23 THR 114 3HG2 THR 114 -16.207 -4.610 -5.194 898 H LYS 115 H LYS 115 -19.344 -5.974 -6.263 899 HA LYS 115 HA LYS 115 -20.877 -4.793 -7.492 900 HB2 LYS 115 1HB LYS 115 -23.173 -5.498 -7.104 901 HB3 LYS 115 2HB LYS 115 -22.083 -6.867 -6.929 902 HG2 LYS 115 1HG LYS 115 -22.267 -6.816 -4.561 903 HG3 LYS 115 2HG LYS 115 -23.118 -5.270 -4.600 904 HD2 LYS 115 1HD LYS 115 -25.036 -6.279 -5.620 905 HD3 LYS 115 2HD LYS 115 -24.177 -7.805 -5.844 906 HE2 LYS 115 1HE LYS 115 -23.984 -7.994 -3.377 907 HE3 LYS 115 2HE LYS 115 -24.965 -6.537 -3.222 908 HZ1 LYS 115 1HZ LYS 115 -26.486 -8.051 -4.825 909 HZ2 LYS 115 2HZ LYS 115 -26.649 -7.990 -3.142 910 HZ3 LYS 115 3HZ LYS 115 -25.765 -9.240 -3.861 911 H LYS 116 H LYS 116 -19.701 -3.262 -5.360 912 HA LYS 116 HA LYS 116 -21.913 -1.598 -4.407 913 HB2 LYS 116 1HB LYS 116 -19.906 -2.443 -2.963 914 HB3 LYS 116 2HB LYS 116 -19.032 -1.120 -3.725 915 HG2 LYS 116 1HG LYS 116 -20.268 0.493 -2.665 916 HG3 LYS 116 2HG LYS 116 -21.665 -0.564 -2.450 917 HD2 LYS 116 1HD LYS 116 -19.054 -1.014 -1.023 918 HD3 LYS 116 2HD LYS 116 -20.337 0.002 -0.361 919 HE2 LYS 116 1HE LYS 116 -21.006 -2.753 -1.282 920 HE3 LYS 116 2HE LYS 116 -20.165 -2.551 0.254 921 HZ1 LYS 116 1HZ LYS 116 -22.826 -2.452 -0.041 922 HZ2 LYS 116 2HZ LYS 116 -22.439 -0.807 -0.120 923 HZ3 LYS 116 3HZ LYS 116 -21.984 -1.719 1.230 924 H THR 117 H THR 117 -22.399 0.290 -5.318 925 HA THR 117 HA THR 117 -20.727 1.268 -7.495 926 HB THR 117 HB THR 117 -22.637 2.855 -7.894 927 HG1 THR 117 1HG THR 117 -24.064 3.002 -6.348 928 HG21 THR 117 1HG2 THR 117 -22.509 0.820 -9.178 929 HG22 THR 117 2HG2 THR 117 -24.190 1.091 -8.720 930 HG23 THR 117 3HG2 THR 117 -23.223 -0.106 -7.859 931 H GLY 118 H GLY 118 -20.756 3.793 -7.682 932 HA2 GLY 118 1HA GLY 118 -20.329 5.047 -5.066 933 HA3 GLY 118 2HA GLY 118 -18.989 5.027 -6.203 934 H SER 119 H SER 119 -18.798 6.712 -7.522 935 HA SER 119 HA SER 119 -21.018 8.613 -7.662 936 HB2 SER 119 1HB SER 119 -18.672 9.321 -6.972 937 HB3 SER 119 2HB SER 119 -18.197 9.051 -8.649 938 HG SER 119 HG SER 119 -18.882 11.256 -8.025 939 H GLY 120 H GLY 120 -18.460 7.708 -9.976 940 HA2 GLY 120 1HA GLY 120 -19.313 6.429 -11.988 941 HA3 GLY 120 2HA GLY 120 -20.535 7.689 -12.077 942 HA PRO 121 HA PRO 121 -17.950 10.249 -14.514 943 HB2 PRO 121 1HB PRO 121 -18.192 12.712 -13.398 944 HB3 PRO 121 2HB PRO 121 -19.497 11.934 -14.300 945 HG2 PRO 121 1HG PRO 121 -19.086 12.115 -11.341 946 HG3 PRO 121 2HG PRO 121 -20.577 12.322 -12.278 947 HD2 PRO 121 1HD PRO 121 -19.989 10.028 -10.965 948 HD3 PRO 121 2HD PRO 121 -20.915 10.051 -12.479 949 H SER 122 H SER 122 -15.934 11.292 -14.676 950 HA SER 122 HA SER 122 -14.363 11.533 -12.211 951 HB2 SER 122 1HB SER 122 -12.441 10.412 -13.338 952 HB3 SER 122 2HB SER 122 -13.811 9.333 -13.072 953 HG SER 122 HG SER 122 -13.039 10.594 -15.490 954 H SER 123 H SER 123 -12.117 12.509 -12.811 955 HA SER 123 HA SER 123 -11.196 14.566 -13.294 956 HB2 SER 123 1HB SER 123 -10.576 14.741 -15.626 957 HB3 SER 123 2HB SER 123 -10.532 13.040 -15.162 958 HG SER 123 HG SER 123 -12.961 13.902 -16.128 959 H GLY 124 H GLY 124 -13.845 14.937 -12.548 960 HA2 GLY 124 1HA GLY 124 -14.382 17.514 -13.422 961 HA3 GLY 124 2HA GLY 124 -15.336 16.445 -14.439 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -24.789 -10.492 -20.632 2 HA2 GLY 1 1HA GLY 1 -23.116 -12.724 -20.683 3 HA3 GLY 1 2HA GLY 1 -22.977 -11.339 -21.756 4 H SER 2 H SER 2 -21.317 -13.159 -19.614 5 HA SER 2 HA SER 2 -19.620 -10.911 -18.752 6 HB2 SER 2 1HB SER 2 -20.144 -13.607 -17.507 7 HB3 SER 2 2HB SER 2 -18.750 -12.626 -17.051 8 HG SER 2 HG SER 2 -21.228 -12.426 -16.165 9 H SER 3 H SER 3 -19.535 -14.258 -19.930 10 HA SER 3 HA SER 3 -16.706 -14.012 -20.569 11 HB2 SER 3 1HB SER 3 -17.500 -16.111 -19.576 12 HB3 SER 3 2HB SER 3 -18.611 -16.340 -20.927 13 HG SER 3 HG SER 3 -16.609 -16.226 -22.257 14 H GLY 4 H GLY 4 -16.914 -12.378 -22.196 15 HA2 GLY 4 1HA GLY 4 -17.160 -13.472 -24.828 16 HA3 GLY 4 2HA GLY 4 -18.499 -12.402 -24.441 17 H SER 5 H SER 5 -15.094 -12.136 -23.493 18 HA SER 5 HA SER 5 -14.827 -9.779 -25.218 19 HB2 SER 5 1HB SER 5 -15.472 -9.049 -22.908 20 HB3 SER 5 2HB SER 5 -13.990 -9.796 -22.310 21 HG SER 5 HG SER 5 -14.219 -7.377 -23.168 22 H SER 6 H SER 6 -12.673 -9.230 -25.763 23 HA SER 6 HA SER 6 -10.491 -10.886 -24.854 24 HB2 SER 6 1HB SER 6 -9.955 -11.910 -26.950 25 HB3 SER 6 2HB SER 6 -11.658 -12.248 -26.641 26 HG SER 6 HG SER 6 -10.503 -10.828 -28.661 27 H GLY 7 H GLY 7 -8.920 -9.460 -24.553 28 HA2 GLY 7 1HA GLY 7 -7.220 -8.054 -25.495 29 HA3 GLY 7 2HA GLY 7 -8.395 -7.485 -26.671 30 H GLU 8 H GLU 8 -8.443 -7.715 -23.115 31 HA GLU 8 HA GLU 8 -9.625 -5.085 -22.943 32 HB2 GLU 8 1HB GLU 8 -10.030 -7.223 -21.448 33 HB3 GLU 8 2HB GLU 8 -8.669 -6.580 -20.540 34 HG2 GLU 8 1HG GLU 8 -11.006 -4.842 -21.205 35 HG3 GLU 8 2HG GLU 8 -11.067 -5.951 -19.836 36 H GLU 9 H GLU 9 -7.223 -4.764 -24.125 37 HA GLU 9 HA GLU 9 -4.998 -4.365 -22.494 38 HB2 GLU 9 1HB GLU 9 -5.296 -4.241 -25.099 39 HB3 GLU 9 2HB GLU 9 -5.546 -2.528 -24.793 40 HG2 GLU 9 1HG GLU 9 -3.376 -2.302 -23.842 41 HG3 GLU 9 2HG GLU 9 -3.129 -4.047 -23.854 42 HA PRO 10 HA PRO 10 -6.370 -0.948 -20.014 43 HB2 PRO 10 1HB PRO 10 -3.994 -0.496 -18.781 44 HB3 PRO 10 2HB PRO 10 -5.059 -1.839 -18.351 45 HG2 PRO 10 1HG PRO 10 -2.622 -1.836 -20.090 46 HG3 PRO 10 2HG PRO 10 -3.113 -3.009 -18.854 47 HD2 PRO 10 1HD PRO 10 -3.478 -3.442 -21.502 48 HD3 PRO 10 2HD PRO 10 -4.592 -4.070 -20.270 49 H SER 11 H SER 11 -6.710 0.961 -20.963 50 HA SER 11 HA SER 11 -4.695 2.178 -22.648 51 HB2 SER 11 1HB SER 11 -6.407 3.830 -23.174 52 HB3 SER 11 2HB SER 11 -7.095 2.209 -23.285 53 HG SER 11 HG SER 11 -8.493 2.818 -21.857 54 H GLY 12 H GLY 12 -3.037 3.007 -21.486 55 HA2 GLY 12 1HA GLY 12 -2.051 4.836 -20.401 56 HA3 GLY 12 2HA GLY 12 -3.637 5.311 -19.810 57 H VAL 13 H VAL 13 -2.846 5.620 -17.708 58 HA VAL 13 HA VAL 13 -2.324 3.110 -16.257 59 HB VAL 13 HB VAL 13 -1.036 5.791 -15.723 60 HG11 VAL 13 1HG1 VAL 13 -1.402 4.787 -13.618 61 HG12 VAL 13 2HG1 VAL 13 -0.956 3.188 -14.217 62 HG13 VAL 13 3HG1 VAL 13 0.276 4.437 -14.030 63 HG21 VAL 13 1HG2 VAL 13 -0.304 3.954 -17.591 64 HG22 VAL 13 2HG2 VAL 13 0.803 5.076 -16.799 65 HG23 VAL 13 3HG2 VAL 13 0.636 3.427 -16.195 66 H GLU 14 H GLU 14 -3.546 6.425 -16.085 67 HA GLU 14 HA GLU 14 -4.575 6.388 -13.501 68 HB2 GLU 14 1HB GLU 14 -5.613 7.809 -15.957 69 HB3 GLU 14 2HB GLU 14 -6.161 8.137 -14.319 70 HG2 GLU 14 1HG GLU 14 -3.378 8.526 -15.394 71 HG3 GLU 14 2HG GLU 14 -4.543 9.786 -14.993 72 H GLY 15 H GLY 15 -6.057 5.330 -16.542 73 HA2 GLY 15 1HA GLY 15 -8.627 4.845 -15.952 74 HA3 GLY 15 2HA GLY 15 -7.660 3.675 -16.839 75 H ALA 16 H ALA 16 -5.927 2.917 -14.731 76 HA ALA 16 HA ALA 16 -7.173 0.768 -13.622 77 HB1 ALA 16 1HB ALA 16 -5.172 0.410 -12.729 78 HB2 ALA 16 2HB ALA 16 -4.682 1.989 -13.345 79 HB3 ALA 16 3HB ALA 16 -5.309 1.838 -11.703 80 H ALA 17 H ALA 17 -6.925 4.004 -12.179 81 HA ALA 17 HA ALA 17 -8.066 3.566 -9.721 82 HB1 ALA 17 1HB ALA 17 -8.458 5.959 -11.515 83 HB2 ALA 17 2HB ALA 17 -8.799 5.913 -9.785 84 HB3 ALA 17 3HB ALA 17 -7.145 5.714 -10.363 85 H PHE 18 H PHE 18 -9.655 3.813 -12.842 86 HA PHE 18 HA PHE 18 -12.262 4.238 -12.261 87 HB2 PHE 18 1HB PHE 18 -11.468 3.797 -14.531 88 HB3 PHE 18 2HB PHE 18 -11.195 2.106 -14.123 89 HD1 PHE 18 2HD PHE 18 -13.883 4.671 -14.273 90 HD2 PHE 18 1HD PHE 18 -12.858 0.547 -14.505 91 HE1 PHE 18 2HE PHE 18 -16.187 4.140 -14.955 92 HE2 PHE 18 1HE PHE 18 -15.159 0.009 -15.189 93 HZ PHE 18 HZ PHE 18 -16.827 1.807 -15.414 94 H GLN 19 H GLN 19 -10.975 0.916 -12.439 95 HA GLN 19 HA GLN 19 -13.168 -0.267 -11.147 96 HB2 GLN 19 1HB GLN 19 -12.022 -2.255 -11.319 97 HB3 GLN 19 2HB GLN 19 -11.205 -1.303 -12.551 98 HG2 GLN 19 1HG GLN 19 -9.428 -2.235 -11.456 99 HG3 GLN 19 2HG GLN 19 -9.581 -0.696 -10.609 100 HE21 GLN 19 1HE2 GLN 19 -8.628 -1.439 -8.740 101 HE22 GLN 19 2HE2 GLN 19 -9.397 -2.566 -7.681 102 H SER 20 H SER 20 -10.294 1.259 -9.920 103 HA SER 20 HA SER 20 -10.391 0.177 -7.296 104 HB2 SER 20 1HB SER 20 -9.165 2.786 -8.221 105 HB3 SER 20 2HB SER 20 -8.807 1.944 -6.713 106 HG SER 20 HG SER 20 -7.725 1.574 -9.127 107 H ARG 21 H ARG 21 -12.115 2.693 -8.905 108 HA ARG 21 HA ARG 21 -13.750 4.130 -8.247 109 HB2 ARG 21 1HB ARG 21 -13.940 1.919 -6.247 110 HB3 ARG 21 2HB ARG 21 -14.886 3.377 -5.982 111 HG2 ARG 21 1HG ARG 21 -15.546 2.930 -8.521 112 HG3 ARG 21 2HG ARG 21 -15.173 1.274 -8.040 113 HD2 ARG 21 1HD ARG 21 -17.370 1.329 -7.449 114 HD3 ARG 21 2HD ARG 21 -16.668 1.947 -5.955 115 HE ARG 21 HE ARG 21 -17.275 4.047 -7.777 116 HH11 ARG 21 2HH1 ARG 21 -18.694 1.860 -5.470 117 HH12 ARG 21 1HH1 ARG 21 -20.027 2.905 -5.104 118 HH21 ARG 21 2HH2 ARG 21 -19.024 5.432 -7.303 119 HH22 ARG 21 1HH2 ARG 21 -20.214 4.936 -6.147 120 H LEU 22 H LEU 22 -11.258 5.050 -7.700 121 HA LEU 22 HA LEU 22 -11.758 6.747 -5.405 122 HB2 LEU 22 1HB LEU 22 -9.769 6.272 -4.235 123 HB3 LEU 22 2HB LEU 22 -10.535 4.720 -4.563 124 HG LEU 22 HG LEU 22 -8.933 4.561 -6.556 125 HD11 LEU 22 1HD1 LEU 22 -8.094 7.076 -5.351 126 HD12 LEU 22 2HD1 LEU 22 -7.759 6.416 -6.951 127 HD13 LEU 22 3HD1 LEU 22 -6.770 5.933 -5.573 128 HD21 LEU 22 1HD2 LEU 22 -6.991 4.065 -4.818 129 HD22 LEU 22 2HD2 LEU 22 -8.420 3.037 -4.944 130 HD23 LEU 22 3HD2 LEU 22 -8.316 4.253 -3.669 131 HA PRO 23 HA PRO 23 -9.816 9.757 -7.945 132 HB2 PRO 23 1HB PRO 23 -8.855 11.464 -6.064 133 HB3 PRO 23 2HB PRO 23 -10.575 11.326 -6.448 134 HG2 PRO 23 1HG PRO 23 -9.034 10.108 -4.189 135 HG3 PRO 23 2HG PRO 23 -10.631 10.879 -4.166 136 HD2 PRO 23 1HD PRO 23 -10.312 8.190 -4.190 137 HD3 PRO 23 2HD PRO 23 -11.691 8.995 -4.966 138 H HIS 24 H HIS 24 -7.932 9.816 -8.998 139 HA HIS 24 HA HIS 24 -5.607 8.533 -7.850 140 HB2 HIS 24 1HB HIS 24 -4.680 8.575 -10.026 141 HB3 HIS 24 2HB HIS 24 -6.398 8.268 -10.263 142 HD1 HIS 24 1HD HIS 24 -7.835 10.476 -10.939 143 HD2 HIS 24 2HD HIS 24 -3.715 10.693 -11.430 144 HE1 HIS 24 1HE HIS 24 -7.445 12.410 -12.498 145 HE2 HIS 24 2HE HIS 24 -4.951 12.468 -12.848 146 H ASP 25 H ASP 25 -6.771 11.740 -8.382 147 HA ASP 25 HA ASP 25 -4.208 13.027 -8.220 148 HB2 ASP 25 1HB ASP 25 -6.094 14.067 -9.413 149 HB3 ASP 25 2HB ASP 25 -6.989 14.178 -7.899 150 H ARG 26 H ARG 26 -6.720 12.094 -5.979 151 HA ARG 26 HA ARG 26 -5.037 13.080 -3.773 152 HB2 ARG 26 1HB ARG 26 -7.149 13.481 -2.492 153 HB3 ARG 26 2HB ARG 26 -6.928 14.550 -3.870 154 HG2 ARG 26 1HG ARG 26 -8.553 13.409 -5.143 155 HG3 ARG 26 2HG ARG 26 -8.595 12.057 -4.009 156 HD2 ARG 26 1HD ARG 26 -9.573 13.480 -2.307 157 HD3 ARG 26 2HD ARG 26 -9.454 14.877 -3.375 158 HE ARG 26 HE ARG 26 -11.447 12.801 -3.444 159 HH11 ARG 26 2HH1 ARG 26 -9.831 15.300 -5.250 160 HH12 ARG 26 1HH1 ARG 26 -11.123 15.494 -6.388 161 HH21 ARG 26 2HH2 ARG 26 -13.155 13.047 -4.936 162 HH22 ARG 26 1HH2 ARG 26 -13.014 14.213 -6.208 163 H MET 27 H MET 27 -5.639 11.971 -1.656 164 HA MET 27 HA MET 27 -5.919 9.099 -2.195 165 HB2 MET 27 1HB MET 27 -4.832 10.457 0.277 166 HB3 MET 27 2HB MET 27 -4.783 8.736 -0.079 167 HG2 MET 27 1HG MET 27 -3.124 8.968 -1.655 168 HG3 MET 27 2HG MET 27 -3.507 10.661 -1.961 169 HE1 MET 27 1HE MET 27 -2.229 9.169 1.979 170 HE2 MET 27 2HE MET 27 -2.627 8.170 0.581 171 HE3 MET 27 3HE MET 27 -0.945 8.573 0.928 172 H THR 28 H THR 28 -7.120 7.784 -0.669 173 HA THR 28 HA THR 28 -9.542 9.156 0.213 174 HB THR 28 HB THR 28 -10.392 6.794 0.573 175 HG1 THR 28 1HG THR 28 -9.109 5.151 0.115 176 HG21 THR 28 1HG2 THR 28 -9.865 6.545 -2.194 177 HG22 THR 28 2HG2 THR 28 -9.983 8.270 -1.842 178 HG23 THR 28 3HG2 THR 28 -11.311 7.190 -1.417 179 H SER 29 H SER 29 -10.568 8.137 2.255 180 HA SER 29 HA SER 29 -9.113 8.879 4.479 181 HB2 SER 29 1HB SER 29 -11.397 6.904 4.281 182 HB3 SER 29 2HB SER 29 -10.791 7.570 5.797 183 HG SER 29 HG SER 29 -11.359 9.464 3.894 184 H GLN 30 H GLN 30 -9.331 5.729 2.927 185 HA GLN 30 HA GLN 30 -7.934 4.306 4.960 186 HB2 GLN 30 1HB GLN 30 -8.799 3.738 2.164 187 HB3 GLN 30 2HB GLN 30 -7.564 2.708 2.873 188 HG2 GLN 30 1HG GLN 30 -9.462 1.556 3.411 189 HG3 GLN 30 2HG GLN 30 -9.245 2.540 4.857 190 HE21 GLN 30 1HE2 GLN 30 -10.729 2.859 1.645 191 HE22 GLN 30 2HE2 GLN 30 -12.200 3.570 2.208 192 H GLU 31 H GLU 31 -6.931 5.329 1.690 193 HA GLU 31 HA GLU 31 -4.263 4.612 1.864 194 HB2 GLU 31 1HB GLU 31 -5.525 6.922 0.381 195 HB3 GLU 31 2HB GLU 31 -3.870 6.380 0.137 196 HG2 GLU 31 1HG GLU 31 -6.080 4.409 -0.136 197 HG3 GLU 31 2HG GLU 31 -5.807 5.575 -1.429 198 H ALA 32 H ALA 32 -5.842 7.601 2.898 199 HA ALA 32 HA ALA 32 -3.496 9.001 3.605 200 HB1 ALA 32 1HB ALA 32 -5.524 9.921 5.286 201 HB2 ALA 32 2HB ALA 32 -5.044 10.590 3.726 202 HB3 ALA 32 3HB ALA 32 -6.342 9.399 3.812 203 H ALA 33 H ALA 33 -5.624 6.841 5.419 204 HA ALA 33 HA ALA 33 -4.368 7.246 7.937 205 HB1 ALA 33 1HB ALA 33 -6.189 5.103 6.877 206 HB2 ALA 33 2HB ALA 33 -5.553 5.079 8.523 207 HB3 ALA 33 3HB ALA 33 -6.571 6.417 7.990 208 H CYS 34 H CYS 34 -3.918 4.924 5.320 209 HA CYS 34 HA CYS 34 -2.064 3.283 6.733 210 HB2 CYS 34 1HB CYS 34 -3.502 2.829 4.556 211 HB3 CYS 34 2HB CYS 34 -2.057 3.425 3.750 212 HG CYS 34 HG CYS 34 -1.672 0.778 3.581 213 H PHE 35 H PHE 35 -1.740 5.911 4.380 214 HA PHE 35 HA PHE 35 1.133 6.026 5.028 215 HB2 PHE 35 1HB PHE 35 -0.183 6.987 2.481 216 HB3 PHE 35 2HB PHE 35 1.544 6.919 2.818 217 HD1 PHE 35 2HD PHE 35 -1.470 4.803 2.393 218 HD2 PHE 35 1HD PHE 35 2.781 5.008 2.319 219 HE1 PHE 35 2HE PHE 35 -1.380 2.534 1.444 220 HE2 PHE 35 1HE PHE 35 2.878 2.741 1.370 221 HZ PHE 35 HZ PHE 35 0.796 1.500 0.932 222 HA PRO 36 HA PRO 36 -0.666 9.893 6.722 223 HB2 PRO 36 1HB PRO 36 1.097 10.054 8.780 224 HB3 PRO 36 2HB PRO 36 -0.376 9.081 8.851 225 HG2 PRO 36 1HG PRO 36 2.435 8.223 8.283 226 HG3 PRO 36 2HG PRO 36 1.213 7.445 9.305 227 HD2 PRO 36 1HD PRO 36 1.767 6.596 6.795 228 HD3 PRO 36 2HD PRO 36 0.146 6.473 7.508 229 H ASP 37 H ASP 37 2.724 9.001 6.211 230 HA ASP 37 HA ASP 37 3.738 11.643 6.163 231 HB2 ASP 37 1HB ASP 37 4.890 9.200 4.803 232 HB3 ASP 37 2HB ASP 37 5.758 10.669 5.242 233 H ILE 38 H ILE 38 2.157 9.658 3.799 234 HA ILE 38 HA ILE 38 2.983 11.245 1.540 235 HB ILE 38 HB ILE 38 0.801 9.166 1.737 236 HG12 ILE 38 1HG1 ILE 38 3.118 8.353 2.236 237 HG13 ILE 38 2HG1 ILE 38 2.391 7.611 0.816 238 HG21 ILE 38 1HG2 ILE 38 0.580 9.234 -0.563 239 HG22 ILE 38 2HG2 ILE 38 0.800 10.937 -0.161 240 HG23 ILE 38 3HG2 ILE 38 2.152 9.999 -0.795 241 HD11 ILE 38 1HD1 ILE 38 3.779 8.755 -0.643 242 HD12 ILE 38 2HD1 ILE 38 4.183 9.988 0.552 243 HD13 ILE 38 3HD1 ILE 38 4.841 8.359 0.707 244 H ILE 39 H ILE 39 -0.088 10.729 3.272 245 HA ILE 39 HA ILE 39 -1.550 12.667 1.836 246 HB ILE 39 HB ILE 39 -2.633 10.902 3.161 247 HG12 ILE 39 1HG1 ILE 39 -4.328 12.398 4.311 248 HG13 ILE 39 2HG1 ILE 39 -3.290 13.757 3.895 249 HG21 ILE 39 1HG2 ILE 39 -0.899 11.768 5.177 250 HG22 ILE 39 2HG2 ILE 39 -2.522 12.167 5.739 251 HG23 ILE 39 3HG2 ILE 39 -2.128 10.508 5.288 252 HD11 ILE 39 1HD1 ILE 39 -3.561 12.545 1.487 253 HD12 ILE 39 2HD1 ILE 39 -5.125 12.207 2.229 254 HD13 ILE 39 3HD1 ILE 39 -4.566 13.872 2.068 255 H SER 40 H SER 40 0.635 12.886 4.524 256 HA SER 40 HA SER 40 -0.106 15.693 4.965 257 HB2 SER 40 1HB SER 40 1.689 13.914 6.633 258 HB3 SER 40 2HB SER 40 1.152 15.540 7.052 259 HG SER 40 HG SER 40 -0.142 13.989 8.075 260 H GLY 41 H GLY 41 1.450 14.662 2.660 261 HA2 GLY 41 1HA GLY 41 3.969 16.131 3.149 262 HA3 GLY 41 2HA GLY 41 3.837 14.770 2.044 263 HA PRO 42 HA PRO 42 3.366 18.819 -0.270 264 HB2 PRO 42 1HB PRO 42 5.424 18.401 -1.991 265 HB3 PRO 42 2HB PRO 42 5.629 19.186 -0.420 266 HG2 PRO 42 1HG PRO 42 6.170 16.348 -1.204 267 HG3 PRO 42 2HG PRO 42 7.145 17.437 -0.200 268 HD2 PRO 42 1HD PRO 42 5.537 15.530 0.856 269 HD3 PRO 42 2HD PRO 42 5.848 17.076 1.672 270 H GLN 43 H GLN 43 2.398 19.033 -2.272 271 HA GLN 43 HA GLN 43 0.811 17.141 -3.319 272 HB2 GLN 43 1HB GLN 43 1.266 19.641 -4.034 273 HB3 GLN 43 2HB GLN 43 2.222 18.878 -5.298 274 HG2 GLN 43 1HG GLN 43 0.188 17.532 -5.884 275 HG3 GLN 43 2HG GLN 43 -0.718 18.555 -4.771 276 HE21 GLN 43 1HE2 GLN 43 1.561 18.853 -7.475 277 HE22 GLN 43 2HE2 GLN 43 0.753 20.178 -8.233 278 H GLN 44 H GLN 44 4.135 17.734 -4.449 279 HA GLN 44 HA GLN 44 4.318 15.836 -6.422 280 HB2 GLN 44 1HB GLN 44 6.081 17.502 -5.746 281 HB3 GLN 44 2HB GLN 44 6.516 16.414 -4.435 282 HG2 GLN 44 1HG GLN 44 6.766 14.661 -6.342 283 HG3 GLN 44 2HG GLN 44 6.894 16.086 -7.372 284 HE21 GLN 44 1HE2 GLN 44 9.029 15.640 -7.893 285 HE22 GLN 44 2HE2 GLN 44 10.320 15.866 -6.767 286 H THR 45 H THR 45 5.216 15.338 -3.005 287 HA THR 45 HA THR 45 5.818 12.655 -3.099 288 HB THR 45 HB THR 45 4.441 14.141 -0.853 289 HG1 THR 45 1HG THR 45 6.920 13.731 -0.243 290 HG21 THR 45 1HG2 THR 45 4.431 11.531 -0.896 291 HG22 THR 45 2HG2 THR 45 4.898 12.380 0.578 292 HG23 THR 45 3HG2 THR 45 6.136 11.704 -0.480 293 H GLN 46 H GLN 46 2.640 14.035 -2.236 294 HA GLN 46 HA GLN 46 1.186 11.737 -1.951 295 HB2 GLN 46 1HB GLN 46 0.380 14.391 -3.134 296 HB3 GLN 46 2HB GLN 46 -0.775 13.099 -2.836 297 HG2 GLN 46 1HG GLN 46 -0.201 13.136 -0.460 298 HG3 GLN 46 2HG GLN 46 0.944 14.442 -0.762 299 HE21 GLN 46 1HE2 GLN 46 -0.882 14.945 1.068 300 HE22 GLN 46 2HE2 GLN 46 -2.108 16.010 0.480 301 H LYS 47 H LYS 47 1.689 13.514 -4.997 302 HA LYS 47 HA LYS 47 0.287 11.759 -6.661 303 HB2 LYS 47 1HB LYS 47 2.681 13.481 -7.332 304 HB3 LYS 47 2HB LYS 47 1.589 12.755 -8.504 305 HG2 LYS 47 1HG LYS 47 -0.115 14.215 -8.029 306 HG3 LYS 47 2HG LYS 47 0.469 14.534 -6.394 307 HD2 LYS 47 1HD LYS 47 0.863 16.497 -7.688 308 HD3 LYS 47 2HD LYS 47 2.425 15.719 -7.423 309 HE2 LYS 47 1HE LYS 47 2.517 16.241 -9.672 310 HE3 LYS 47 2HE LYS 47 1.950 14.572 -9.703 311 HZ1 LYS 47 1HZ LYS 47 0.199 15.260 -10.843 312 HZ2 LYS 47 2HZ LYS 47 0.692 16.873 -10.724 313 HZ3 LYS 47 3HZ LYS 47 -0.296 16.201 -9.527 314 H VAL 48 H VAL 48 3.761 11.870 -5.896 315 HA VAL 48 HA VAL 48 4.716 9.845 -7.461 316 HB VAL 48 HB VAL 48 5.498 10.321 -4.582 317 HG11 VAL 48 1HG1 VAL 48 7.473 9.166 -4.992 318 HG12 VAL 48 2HG1 VAL 48 6.261 8.188 -5.823 319 HG13 VAL 48 3HG1 VAL 48 7.294 9.284 -6.742 320 HG21 VAL 48 1HG2 VAL 48 7.372 11.476 -6.296 321 HG22 VAL 48 2HG2 VAL 48 5.801 11.942 -6.948 322 HG23 VAL 48 3HG2 VAL 48 6.206 12.315 -5.272 323 H PHE 49 H PHE 49 2.982 9.544 -4.399 324 HA PHE 49 HA PHE 49 3.233 6.671 -4.353 325 HB2 PHE 49 1HB PHE 49 3.085 7.412 -2.189 326 HB3 PHE 49 2HB PHE 49 2.016 8.747 -2.605 327 HD1 PHE 49 1HD PHE 49 -0.402 8.152 -3.234 328 HD2 PHE 49 2HD PHE 49 2.235 5.494 -1.209 329 HE1 PHE 49 1HE PHE 49 -2.332 6.859 -2.425 330 HE2 PHE 49 2HE PHE 49 0.308 4.196 -0.397 331 HZ PHE 49 HZ PHE 49 -1.979 4.877 -1.006 332 H LEU 50 H LEU 50 0.743 9.038 -5.154 333 HA LEU 50 HA LEU 50 -1.376 7.209 -5.509 334 HB2 LEU 50 1HB LEU 50 -0.828 10.020 -6.281 335 HB3 LEU 50 2HB LEU 50 -2.116 9.178 -7.140 336 HG LEU 50 HG LEU 50 -2.037 9.361 -4.139 337 HD11 LEU 50 1HD1 LEU 50 -3.839 11.134 -5.664 338 HD12 LEU 50 2HD1 LEU 50 -2.134 11.584 -5.629 339 HD13 LEU 50 3HD1 LEU 50 -3.026 11.392 -4.120 340 HD21 LEU 50 1HD2 LEU 50 -3.543 7.705 -4.735 341 HD22 LEU 50 2HD2 LEU 50 -4.042 8.543 -6.205 342 HD23 LEU 50 3HD2 LEU 50 -4.570 9.135 -4.629 343 H PHE 51 H PHE 51 1.424 7.731 -7.314 344 HA PHE 51 HA PHE 51 0.240 6.807 -9.819 345 HB2 PHE 51 1HB PHE 51 1.781 8.632 -10.069 346 HB3 PHE 51 2HB PHE 51 3.009 7.795 -9.124 347 HD1 PHE 51 1HD PHE 51 3.815 5.515 -10.087 348 HD2 PHE 51 2HD PHE 51 1.851 8.524 -12.368 349 HE1 PHE 51 1HE PHE 51 4.752 4.557 -12.151 350 HE2 PHE 51 2HE PHE 51 2.783 7.571 -14.436 351 HZ PHE 51 HZ PHE 51 4.235 5.584 -14.329 352 H ILE 52 H ILE 52 2.696 5.851 -7.451 353 HA ILE 52 HA ILE 52 3.595 3.519 -8.669 354 HB ILE 52 HB ILE 52 3.309 4.139 -5.728 355 HG12 ILE 52 1HG1 ILE 52 5.892 4.065 -7.236 356 HG13 ILE 52 2HG1 ILE 52 4.850 5.473 -7.405 357 HG21 ILE 52 1HG2 ILE 52 5.375 2.269 -6.202 358 HG22 ILE 52 2HG2 ILE 52 3.890 2.047 -5.278 359 HG23 ILE 52 3HG2 ILE 52 3.923 1.666 -7.000 360 HD11 ILE 52 1HD1 ILE 52 5.099 4.836 -4.641 361 HD12 ILE 52 2HD1 ILE 52 6.704 4.913 -5.370 362 HD13 ILE 52 3HD1 ILE 52 5.609 6.289 -5.501 363 H ARG 53 H ARG 53 0.761 4.074 -6.646 364 HA ARG 53 HA ARG 53 0.036 1.351 -6.352 365 HB2 ARG 53 1HB ARG 53 -1.007 2.679 -4.784 366 HB3 ARG 53 2HB ARG 53 -1.320 3.973 -5.933 367 HG2 ARG 53 1HG ARG 53 -3.039 2.505 -6.996 368 HG3 ARG 53 2HG ARG 53 -2.802 1.371 -5.664 369 HD2 ARG 53 1HD ARG 53 -3.817 2.733 -4.143 370 HD3 ARG 53 2HD ARG 53 -3.329 4.208 -4.977 371 HE ARG 53 HE ARG 53 -5.744 2.700 -5.384 372 HH11 ARG 53 2HH1 ARG 53 -3.498 4.956 -6.794 373 HH12 ARG 53 1HH1 ARG 53 -4.652 5.606 -7.912 374 HH21 ARG 53 2HH2 ARG 53 -7.272 3.548 -6.851 375 HH22 ARG 53 1HH2 ARG 53 -6.798 4.805 -7.942 376 H ASN 54 H ASN 54 -1.067 3.895 -8.578 377 HA ASN 54 HA ASN 54 -3.003 2.494 -9.957 378 HB2 ASN 54 1HB ASN 54 -1.132 4.704 -10.729 379 HB3 ASN 54 2HB ASN 54 -2.163 3.975 -11.957 380 HD21 ASN 54 1HD2 ASN 54 -2.128 6.674 -10.751 381 HD22 ASN 54 2HD2 ASN 54 -3.733 6.930 -10.164 382 H ARG 55 H ARG 55 0.425 2.811 -10.896 383 HA ARG 55 HA ARG 55 0.377 1.079 -13.065 384 HB2 ARG 55 1HB ARG 55 2.491 2.062 -11.213 385 HB3 ARG 55 2HB ARG 55 2.884 0.690 -12.241 386 HG2 ARG 55 1HG ARG 55 1.680 3.158 -13.420 387 HG3 ARG 55 2HG ARG 55 3.406 3.085 -13.057 388 HD2 ARG 55 1HD ARG 55 3.212 0.788 -14.352 389 HD3 ARG 55 2HD ARG 55 1.815 1.586 -15.075 390 HE ARG 55 HE ARG 55 4.115 3.257 -15.137 391 HH11 ARG 55 2HH1 ARG 55 2.619 0.526 -16.694 392 HH12 ARG 55 1HH1 ARG 55 3.393 0.806 -18.218 393 HH21 ARG 55 2HH2 ARG 55 5.140 3.636 -17.140 394 HH22 ARG 55 1HH2 ARG 55 4.827 2.574 -18.471 395 H THR 56 H THR 56 1.408 0.319 -9.734 396 HA THR 56 HA THR 56 1.979 -2.308 -9.880 397 HB THR 56 HB THR 56 0.242 -1.093 -7.722 398 HG1 THR 56 1HG THR 56 2.614 -0.367 -8.402 399 HG21 THR 56 1HG2 THR 56 1.662 -3.690 -8.002 400 HG22 THR 56 2HG2 THR 56 0.150 -3.311 -7.177 401 HG23 THR 56 3HG2 THR 56 1.692 -2.904 -6.424 402 H LEU 57 H LEU 57 -1.265 -0.922 -9.924 403 HA LEU 57 HA LEU 57 -2.548 -3.505 -9.972 404 HB2 LEU 57 1HB LEU 57 -3.433 -0.668 -10.029 405 HB3 LEU 57 2HB LEU 57 -4.537 -1.893 -10.651 406 HG LEU 57 HG LEU 57 -3.358 -1.948 -7.877 407 HD11 LEU 57 1HD1 LEU 57 -4.711 -0.191 -7.520 408 HD12 LEU 57 2HD1 LEU 57 -5.986 -1.410 -7.532 409 HD13 LEU 57 3HD1 LEU 57 -5.645 -0.476 -8.988 410 HD21 LEU 57 1HD2 LEU 57 -5.412 -3.456 -7.574 411 HD22 LEU 57 2HD2 LEU 57 -4.014 -4.119 -8.421 412 HD23 LEU 57 3HD2 LEU 57 -5.419 -3.567 -9.334 413 H GLN 58 H GLN 58 -1.857 -0.916 -12.283 414 HA GLN 58 HA GLN 58 -3.246 -1.847 -14.485 415 HB2 GLN 58 1HB GLN 58 -0.685 -0.304 -14.209 416 HB3 GLN 58 2HB GLN 58 -1.288 -0.759 -15.797 417 HG2 GLN 58 1HG GLN 58 -2.840 0.835 -13.770 418 HG3 GLN 58 2HG GLN 58 -1.922 1.525 -15.107 419 HE21 GLN 58 1HE2 GLN 58 -2.757 1.485 -17.139 420 HE22 GLN 58 2HE2 GLN 58 -4.347 0.922 -17.512 421 H LEU 59 H LEU 59 0.232 -2.396 -13.896 422 HA LEU 59 HA LEU 59 0.675 -4.245 -15.893 423 HB2 LEU 59 1HB LEU 59 1.947 -4.287 -13.162 424 HB3 LEU 59 2HB LEU 59 2.611 -4.966 -14.646 425 HG LEU 59 HG LEU 59 2.056 -2.033 -14.483 426 HD11 LEU 59 1HD1 LEU 59 4.763 -2.945 -13.743 427 HD12 LEU 59 2HD1 LEU 59 3.513 -3.117 -12.512 428 HD13 LEU 59 3HD1 LEU 59 3.851 -1.533 -13.209 429 HD21 LEU 59 1HD2 LEU 59 2.663 -2.831 -16.634 430 HD22 LEU 59 2HD2 LEU 59 3.985 -3.796 -15.978 431 HD23 LEU 59 3HD2 LEU 59 4.088 -2.034 -15.966 432 H TRP 60 H TRP 60 -0.963 -4.655 -12.871 433 HA TRP 60 HA TRP 60 -0.833 -7.536 -12.899 434 HB2 TRP 60 1HB TRP 60 -1.054 -6.868 -10.722 435 HB3 TRP 60 2HB TRP 60 -2.020 -5.456 -11.141 436 HD1 TRP 60 HD TRP 60 -4.633 -5.707 -11.085 437 HE1 TRP 60 1HE TRP 60 -6.216 -7.580 -10.305 438 HE3 TRP 60 3HE TRP 60 -1.237 -9.500 -10.622 439 HZ2 TRP 60 2HZ TRP 60 -6.048 -10.305 -9.588 440 HZ3 TRP 60 3HZ TRP 60 -2.029 -11.709 -9.883 441 HH2 TRP 60 HH TRP 60 -4.385 -12.101 -9.376 442 H LEU 61 H LEU 61 -3.102 -5.043 -13.876 443 HA LEU 61 HA LEU 61 -5.290 -6.806 -14.354 444 HB2 LEU 61 1HB LEU 61 -4.652 -3.968 -14.974 445 HB3 LEU 61 2HB LEU 61 -5.952 -4.747 -15.874 446 HG LEU 61 HG LEU 61 -5.838 -4.498 -12.869 447 HD11 LEU 61 1HD1 LEU 61 -7.548 -2.980 -14.831 448 HD12 LEU 61 2HD1 LEU 61 -6.105 -2.332 -14.051 449 HD13 LEU 61 3HD1 LEU 61 -7.504 -2.786 -13.078 450 HD21 LEU 61 1HD2 LEU 61 -7.371 -6.159 -14.596 451 HD22 LEU 61 2HD2 LEU 61 -8.442 -4.952 -13.883 452 HD23 LEU 61 3HD2 LEU 61 -7.472 -5.996 -12.843 453 H ASP 62 H ASP 62 -2.418 -6.120 -16.039 454 HA ASP 62 HA ASP 62 -3.499 -6.934 -18.624 455 HB2 ASP 62 1HB ASP 62 -1.750 -5.045 -18.214 456 HB3 ASP 62 2HB ASP 62 -0.597 -6.372 -18.102 457 H ASN 63 H ASN 63 -1.368 -8.089 -16.081 458 HA ASN 63 HA ASN 63 -1.395 -10.737 -17.358 459 HB2 ASN 63 1HB ASN 63 0.846 -9.267 -17.384 460 HB3 ASN 63 2HB ASN 63 1.015 -9.989 -15.786 461 HD21 ASN 63 1HD2 ASN 63 0.626 -12.402 -15.749 462 HD22 ASN 63 2HD2 ASN 63 1.331 -13.315 -17.035 463 HA PRO 64 HA PRO 64 -2.630 -10.627 -12.783 464 HB2 PRO 64 1HB PRO 64 -5.239 -11.297 -13.117 465 HB3 PRO 64 2HB PRO 64 -4.672 -9.623 -13.099 466 HG2 PRO 64 1HG PRO 64 -5.320 -11.377 -15.436 467 HG3 PRO 64 2HG PRO 64 -5.724 -9.670 -15.172 468 HD2 PRO 64 1HD PRO 64 -3.664 -10.452 -16.745 469 HD3 PRO 64 2HD PRO 64 -3.630 -8.946 -15.806 470 H LYS 65 H LYS 65 -2.230 -12.712 -15.297 471 HA LYS 65 HA LYS 65 -3.374 -15.087 -14.142 472 HB2 LYS 65 1HB LYS 65 -2.015 -16.222 -15.970 473 HB3 LYS 65 2HB LYS 65 -3.252 -15.090 -16.501 474 HG2 LYS 65 1HG LYS 65 -1.750 -13.623 -17.336 475 HG3 LYS 65 2HG LYS 65 -0.538 -13.993 -16.107 476 HD2 LYS 65 1HD LYS 65 0.324 -14.799 -18.163 477 HD3 LYS 65 2HD LYS 65 -0.221 -16.216 -17.263 478 HE2 LYS 65 1HE LYS 65 -1.970 -16.611 -18.680 479 HE3 LYS 65 2HE LYS 65 -2.148 -14.910 -19.110 480 HZ1 LYS 65 1HZ LYS 65 0.307 -15.583 -20.078 481 HZ2 LYS 65 2HZ LYS 65 -1.114 -15.452 -20.986 482 HZ3 LYS 65 3HZ LYS 65 -0.622 -16.960 -20.397 483 H ILE 66 H ILE 66 -0.623 -13.275 -13.529 484 HA ILE 66 HA ILE 66 0.593 -15.538 -12.100 485 HB ILE 66 HB ILE 66 2.794 -14.945 -12.720 486 HG12 ILE 66 1HG1 ILE 66 1.697 -12.549 -14.203 487 HG13 ILE 66 2HG1 ILE 66 2.396 -12.468 -12.590 488 HG21 ILE 66 1HG2 ILE 66 2.761 -15.113 -15.179 489 HG22 ILE 66 2HG2 ILE 66 1.645 -16.239 -14.409 490 HG23 ILE 66 3HG2 ILE 66 1.032 -14.766 -15.160 491 HD11 ILE 66 1HD1 ILE 66 4.102 -13.781 -14.564 492 HD12 ILE 66 2HD1 ILE 66 3.755 -12.086 -14.908 493 HD13 ILE 66 3HD1 ILE 66 4.485 -12.543 -13.369 494 H GLN 67 H GLN 67 1.828 -14.960 -10.235 495 HA GLN 67 HA GLN 67 0.674 -12.845 -8.735 496 HB2 GLN 67 1HB GLN 67 1.906 -13.638 -6.923 497 HB3 GLN 67 2HB GLN 67 1.675 -15.078 -7.905 498 HG2 GLN 67 1HG GLN 67 4.153 -13.372 -7.832 499 HG3 GLN 67 2HG GLN 67 3.944 -14.935 -7.044 500 HE21 GLN 67 1HE2 GLN 67 5.236 -13.457 -9.650 501 HE22 GLN 67 2HE2 GLN 67 5.276 -14.782 -10.758 502 H LEU 68 H LEU 68 1.327 -10.806 -8.405 503 HA LEU 68 HA LEU 68 3.659 -9.870 -9.884 504 HB2 LEU 68 1HB LEU 68 1.351 -8.785 -9.965 505 HB3 LEU 68 2HB LEU 68 1.710 -8.174 -8.351 506 HG LEU 68 HG LEU 68 3.650 -6.963 -9.263 507 HD11 LEU 68 1HD1 LEU 68 3.506 -6.735 -11.870 508 HD12 LEU 68 2HD1 LEU 68 2.791 -8.343 -11.759 509 HD13 LEU 68 3HD1 LEU 68 4.412 -8.054 -11.128 510 HD21 LEU 68 1HD2 LEU 68 0.928 -6.368 -9.581 511 HD22 LEU 68 2HD2 LEU 68 1.714 -5.879 -11.083 512 HD23 LEU 68 3HD2 LEU 68 2.282 -5.238 -9.540 513 H THR 69 H THR 69 5.477 -10.250 -8.738 514 HA THR 69 HA THR 69 5.628 -9.980 -5.897 515 HB THR 69 HB THR 69 7.972 -10.458 -6.108 516 HG1 THR 69 1HG THR 69 8.972 -10.465 -8.176 517 HG21 THR 69 1HG2 THR 69 6.442 -12.012 -8.199 518 HG22 THR 69 2HG2 THR 69 6.449 -12.347 -6.468 519 HG23 THR 69 3HG2 THR 69 7.930 -12.529 -7.407 520 H PHE 70 H PHE 70 7.430 -8.582 -4.931 521 HA PHE 70 HA PHE 70 6.790 -5.863 -5.418 522 HB2 PHE 70 1HB PHE 70 7.369 -6.352 -3.198 523 HB3 PHE 70 2HB PHE 70 8.803 -7.256 -3.674 524 HD1 PHE 70 2HD PHE 70 7.383 -3.917 -3.161 525 HD2 PHE 70 1HD PHE 70 10.875 -6.144 -4.142 526 HE1 PHE 70 2HE PHE 70 8.759 -1.909 -2.806 527 HE2 PHE 70 1HE PHE 70 12.257 -4.139 -3.787 528 HZ PHE 70 HZ PHE 70 11.199 -2.018 -3.120 529 H GLU 71 H GLU 71 9.538 -7.904 -6.263 530 HA GLU 71 HA GLU 71 11.262 -5.917 -7.214 531 HB2 GLU 71 1HB GLU 71 10.956 -8.845 -7.723 532 HB3 GLU 71 2HB GLU 71 12.031 -7.915 -8.757 533 HG2 GLU 71 1HG GLU 71 12.261 -7.769 -5.779 534 HG3 GLU 71 2HG GLU 71 13.001 -9.087 -6.686 535 H ALA 72 H ALA 72 9.102 -8.032 -9.110 536 HA ALA 72 HA ALA 72 9.456 -6.947 -11.600 537 HB1 ALA 72 1HB ALA 72 6.650 -7.543 -11.023 538 HB2 ALA 72 2HB ALA 72 7.744 -8.257 -12.208 539 HB3 ALA 72 3HB ALA 72 7.774 -8.811 -10.534 540 H THR 73 H THR 73 6.904 -5.969 -9.302 541 HA THR 73 HA THR 73 5.826 -3.872 -10.723 542 HB THR 73 HB THR 73 6.218 -3.915 -7.725 543 HG1 THR 73 1HG THR 73 5.113 -5.748 -8.145 544 HG21 THR 73 1HG2 THR 73 5.407 -1.786 -8.968 545 HG22 THR 73 2HG2 THR 73 4.502 -2.352 -7.564 546 HG23 THR 73 3HG2 THR 73 3.909 -2.689 -9.190 547 H LEU 74 H LEU 74 8.669 -3.857 -8.619 548 HA LEU 74 HA LEU 74 9.124 -1.065 -8.732 549 HB2 LEU 74 1HB LEU 74 10.184 -2.136 -6.971 550 HB3 LEU 74 2HB LEU 74 10.775 -3.445 -7.993 551 HG LEU 74 HG LEU 74 12.254 -1.588 -9.061 552 HD11 LEU 74 1HD1 LEU 74 12.472 0.390 -8.031 553 HD12 LEU 74 2HD1 LEU 74 12.339 -0.318 -6.421 554 HD13 LEU 74 3HD1 LEU 74 10.883 0.024 -7.357 555 HD21 LEU 74 1HD2 LEU 74 13.302 -3.369 -7.955 556 HD22 LEU 74 2HD2 LEU 74 12.661 -2.887 -6.384 557 HD23 LEU 74 3HD2 LEU 74 13.920 -1.923 -7.157 558 H GLN 75 H GLN 75 10.784 -3.749 -10.400 559 HA GLN 75 HA GLN 75 12.481 -2.315 -12.005 560 HB2 GLN 75 1HB GLN 75 10.969 -4.853 -12.625 561 HB3 GLN 75 2HB GLN 75 12.252 -4.217 -13.646 562 HG2 GLN 75 1HG GLN 75 12.759 -4.704 -10.747 563 HG3 GLN 75 2HG GLN 75 12.778 -6.047 -11.889 564 HE21 GLN 75 1HE2 GLN 75 14.751 -4.128 -10.291 565 HE22 GLN 75 2HE2 GLN 75 16.049 -3.959 -11.418 566 H GLN 76 H GLN 76 9.130 -3.238 -12.770 567 HA GLN 76 HA GLN 76 9.016 -2.006 -15.286 568 HB2 GLN 76 1HB GLN 76 6.801 -2.548 -13.303 569 HB3 GLN 76 2HB GLN 76 6.550 -2.084 -14.980 570 HG2 GLN 76 1HG GLN 76 7.262 -4.116 -15.792 571 HG3 GLN 76 2HG GLN 76 8.203 -4.482 -14.348 572 HE21 GLN 76 1HE2 GLN 76 6.682 -4.467 -12.305 573 HE22 GLN 76 2HE2 GLN 76 5.279 -5.461 -12.468 574 H LEU 77 H LEU 77 8.192 -0.789 -12.063 575 HA LEU 77 HA LEU 77 7.057 1.631 -12.688 576 HB2 LEU 77 1HB LEU 77 8.650 0.598 -10.424 577 HB3 LEU 77 2HB LEU 77 8.505 2.351 -10.543 578 HG LEU 77 HG LEU 77 6.042 0.662 -10.644 579 HD11 LEU 77 1HD1 LEU 77 7.847 0.994 -8.341 580 HD12 LEU 77 2HD1 LEU 77 6.640 -0.248 -8.673 581 HD13 LEU 77 3HD1 LEU 77 6.140 1.318 -8.035 582 HD21 LEU 77 1HD2 LEU 77 5.165 2.700 -10.749 583 HD22 LEU 77 2HD2 LEU 77 6.728 3.455 -10.439 584 HD23 LEU 77 3HD2 LEU 77 5.708 2.953 -9.090 585 H GLU 78 H GLU 78 8.132 3.834 -12.303 586 HA GLU 78 HA GLU 78 10.830 3.964 -13.428 587 HB2 GLU 78 1HB GLU 78 10.140 5.720 -15.020 588 HB3 GLU 78 2HB GLU 78 9.377 4.173 -15.358 589 HG2 GLU 78 1HG GLU 78 7.318 4.925 -14.344 590 HG3 GLU 78 2HG GLU 78 8.073 6.450 -13.884 591 H ALA 79 H ALA 79 12.042 5.279 -12.250 592 HA ALA 79 HA ALA 79 11.360 6.616 -10.003 593 HB1 ALA 79 1HB ALA 79 13.668 6.300 -11.237 594 HB2 ALA 79 2HB ALA 79 13.361 7.962 -11.743 595 HB3 ALA 79 3HB ALA 79 13.440 7.563 -10.027 596 HA PRO 80 HA PRO 80 12.154 8.591 -8.933 597 HB2 PRO 80 1HB PRO 80 10.514 9.915 -7.222 598 HB3 PRO 80 2HB PRO 80 11.692 10.737 -8.253 599 HG2 PRO 80 1HG PRO 80 8.749 10.371 -8.659 600 HG3 PRO 80 2HG PRO 80 9.743 11.814 -8.925 601 HD2 PRO 80 1HD PRO 80 8.962 10.191 -10.946 602 HD3 PRO 80 2HD PRO 80 10.507 11.066 -10.967 603 H TYR 81 H TYR 81 9.058 7.571 -9.838 604 HA TYR 81 HA TYR 81 7.895 6.470 -7.626 605 HB2 TYR 81 1HB TYR 81 8.094 4.951 -10.222 606 HB3 TYR 81 2HB TYR 81 6.769 4.954 -9.064 607 HD1 TYR 81 1HD TYR 81 6.669 7.978 -8.654 608 HD2 TYR 81 2HD TYR 81 6.872 5.576 -12.160 609 HE1 TYR 81 1HE TYR 81 5.554 9.760 -9.932 610 HE2 TYR 81 2HE TYR 81 5.758 7.351 -13.448 611 HH TYR 81 HH TYR 81 5.210 10.513 -12.126 612 H ASN 82 H ASN 82 10.143 4.692 -9.755 613 HA ASN 82 HA ASN 82 10.467 2.536 -7.944 614 HB2 ASN 82 1HB ASN 82 12.255 1.797 -9.438 615 HB3 ASN 82 2HB ASN 82 10.853 2.315 -10.370 616 HD21 ASN 82 1HD2 ASN 82 12.349 2.505 -12.136 617 HD22 ASN 82 2HD2 ASN 82 13.314 3.929 -12.293 618 H SER 83 H SER 83 11.886 5.650 -8.159 619 HA SER 83 HA SER 83 14.397 5.218 -7.017 620 HB2 SER 83 1HB SER 83 13.465 7.372 -8.038 621 HB3 SER 83 2HB SER 83 12.710 7.660 -6.471 622 HG SER 83 HG SER 83 15.278 8.026 -7.227 623 H ASP 84 H ASP 84 11.286 5.941 -5.463 624 HA ASP 84 HA ASP 84 12.466 5.503 -2.832 625 HB2 ASP 84 1HB ASP 84 9.586 6.167 -3.446 626 HB3 ASP 84 2HB ASP 84 10.446 6.387 -1.924 627 H THR 85 H THR 85 12.884 3.265 -2.982 628 HA THR 85 HA THR 85 11.012 1.309 -3.704 629 HB THR 85 HB THR 85 12.432 -0.271 -2.398 630 HG1 THR 85 1HG THR 85 14.331 0.624 -1.429 631 HG21 THR 85 1HG2 THR 85 13.254 -0.150 -4.526 632 HG22 THR 85 2HG2 THR 85 14.639 0.513 -3.659 633 HG23 THR 85 3HG2 THR 85 13.494 1.595 -4.451 634 H VAL 86 H VAL 86 11.865 2.602 -0.503 635 HA VAL 86 HA VAL 86 10.365 1.052 1.157 636 HB VAL 86 HB VAL 86 11.801 3.066 1.771 637 HG11 VAL 86 1HG1 VAL 86 10.904 5.206 1.825 638 HG12 VAL 86 2HG1 VAL 86 10.318 4.576 0.285 639 HG13 VAL 86 3HG1 VAL 86 9.246 4.624 1.685 640 HG21 VAL 86 1HG2 VAL 86 10.927 2.055 3.624 641 HG22 VAL 86 2HG2 VAL 86 10.123 3.621 3.738 642 HG23 VAL 86 3HG2 VAL 86 9.261 2.233 3.073 643 H LEU 87 H LEU 87 9.205 3.645 -0.931 644 HA LEU 87 HA LEU 87 6.524 3.578 0.064 645 HB2 LEU 87 1HB LEU 87 7.781 5.471 -1.181 646 HB3 LEU 87 2HB LEU 87 7.289 4.613 -2.639 647 HG LEU 87 HG LEU 87 4.922 4.872 -1.928 648 HD11 LEU 87 1HD1 LEU 87 6.144 6.580 0.234 649 HD12 LEU 87 2HD1 LEU 87 5.219 5.095 0.454 650 HD13 LEU 87 3HD1 LEU 87 4.429 6.540 -0.176 651 HD21 LEU 87 1HD2 LEU 87 6.579 6.672 -3.170 652 HD22 LEU 87 2HD2 LEU 87 5.802 7.653 -1.927 653 HD23 LEU 87 3HD2 LEU 87 4.820 6.772 -3.098 654 H VAL 88 H VAL 88 8.190 2.206 -2.739 655 HA VAL 88 HA VAL 88 5.913 1.113 -3.993 656 HB VAL 88 HB VAL 88 8.768 0.133 -4.128 657 HG11 VAL 88 1HG1 VAL 88 6.285 -0.696 -5.449 658 HG12 VAL 88 2HG1 VAL 88 7.639 -0.406 -6.542 659 HG13 VAL 88 3HG1 VAL 88 7.800 -1.569 -5.226 660 HG21 VAL 88 1HG2 VAL 88 8.257 1.486 -6.450 661 HG22 VAL 88 2HG2 VAL 88 7.412 2.466 -5.252 662 HG23 VAL 88 3HG2 VAL 88 9.134 2.135 -5.065 663 H HIS 89 H HIS 89 7.939 -0.003 -1.381 664 HA HIS 89 HA HIS 89 6.994 -2.709 -1.429 665 HB2 HIS 89 1HB HIS 89 9.175 -2.244 -0.491 666 HB3 HIS 89 2HB HIS 89 8.477 -1.134 0.685 667 HD1 HIS 89 1HD HIS 89 9.690 -4.462 0.447 668 HD2 HIS 89 2HD HIS 89 6.517 -2.657 2.430 669 HE1 HIS 89 1HE HIS 89 9.046 -6.060 2.278 670 HE2 HIS 89 2HE HIS 89 7.069 -4.986 3.411 671 H ARG 90 H ARG 90 6.105 0.246 0.246 672 HA ARG 90 HA ARG 90 4.254 -1.060 2.018 673 HB2 ARG 90 1HB ARG 90 4.674 1.860 1.357 674 HB3 ARG 90 2HB ARG 90 3.578 1.270 2.599 675 HG2 ARG 90 1HG ARG 90 5.321 0.531 3.958 676 HG3 ARG 90 2HG ARG 90 6.487 0.561 2.633 677 HD2 ARG 90 1HD ARG 90 7.042 2.450 3.864 678 HD3 ARG 90 2HD ARG 90 6.022 3.097 2.580 679 HE ARG 90 HE ARG 90 4.244 2.660 4.538 680 HH11 ARG 90 2HH1 ARG 90 7.348 4.237 4.525 681 HH12 ARG 90 1HH1 ARG 90 6.940 5.337 5.800 682 HH21 ARG 90 2HH2 ARG 90 3.695 4.103 6.216 683 HH22 ARG 90 1HH2 ARG 90 4.862 5.260 6.762 684 H VAL 91 H VAL 91 3.990 0.976 -0.880 685 HA VAL 91 HA VAL 91 1.180 1.011 -1.011 686 HB VAL 91 HB VAL 91 3.243 1.313 -3.194 687 HG11 VAL 91 1HG1 VAL 91 1.635 1.318 -4.724 688 HG12 VAL 91 2HG1 VAL 91 0.481 0.832 -3.482 689 HG13 VAL 91 3HG1 VAL 91 0.741 2.542 -3.825 690 HG21 VAL 91 1HG2 VAL 91 2.549 3.722 -3.000 691 HG22 VAL 91 2HG2 VAL 91 1.664 3.276 -1.542 692 HG23 VAL 91 3HG2 VAL 91 3.415 3.077 -1.606 693 H HIS 92 H HIS 92 3.489 -0.939 -2.912 694 HA HIS 92 HA HIS 92 1.672 -2.529 -4.252 695 HB2 HIS 92 1HB HIS 92 4.093 -2.506 -4.720 696 HB3 HIS 92 2HB HIS 92 4.388 -3.361 -3.209 697 HD1 HIS 92 1HD HIS 92 3.450 -5.856 -3.095 698 HD2 HIS 92 2HD HIS 92 3.475 -4.101 -6.860 699 HE1 HIS 92 1HE HIS 92 3.187 -7.755 -4.723 700 HE2 HIS 92 2HE HIS 92 3.291 -6.677 -6.997 701 H SER 93 H SER 93 2.534 -2.571 -0.919 702 HA SER 93 HA SER 93 1.626 -5.255 -0.413 703 HB2 SER 93 1HB SER 93 2.656 -2.995 1.240 704 HB3 SER 93 2HB SER 93 1.706 -4.243 2.046 705 HG SER 93 HG SER 93 3.275 -5.672 0.727 706 H TYR 94 H TYR 94 0.455 -2.075 0.708 707 HA TYR 94 HA TYR 94 -1.885 -2.721 1.871 708 HB2 TYR 94 1HB TYR 94 -1.556 -0.453 1.896 709 HB3 TYR 94 2HB TYR 94 -1.047 -0.398 0.212 710 HD1 TYR 94 2HD TYR 94 -2.722 -0.320 -1.588 711 HD2 TYR 94 1HD TYR 94 -3.868 -0.212 2.507 712 HE1 TYR 94 2HE TYR 94 -4.952 0.486 -2.240 713 HE2 TYR 94 1HE TYR 94 -6.102 0.594 1.867 714 HH TYR 94 HH TYR 94 -7.581 0.504 -0.156 715 H LEU 95 H LEU 95 -1.214 -2.817 -1.559 716 HA LEU 95 HA LEU 95 -3.922 -3.165 -2.390 717 HB2 LEU 95 1HB LEU 95 -1.298 -3.726 -3.758 718 HB3 LEU 95 2HB LEU 95 -2.867 -3.922 -4.535 719 HG LEU 95 HG LEU 95 -2.187 -1.273 -3.354 720 HD11 LEU 95 1HD1 LEU 95 -1.406 -1.160 -6.034 721 HD12 LEU 95 2HD1 LEU 95 -0.599 -2.578 -5.364 722 HD13 LEU 95 3HD1 LEU 95 -0.379 -0.999 -4.609 723 HD21 LEU 95 1HD2 LEU 95 -3.636 -2.068 -5.875 724 HD22 LEU 95 2HD2 LEU 95 -3.578 -0.466 -5.140 725 HD23 LEU 95 3HD2 LEU 95 -4.415 -1.784 -4.319 726 H GLU 96 H GLU 96 -1.231 -5.479 -2.715 727 HA GLU 96 HA GLU 96 -2.718 -7.750 -3.116 728 HB2 GLU 96 1HB GLU 96 -0.260 -7.633 -3.319 729 HB3 GLU 96 2HB GLU 96 -0.129 -7.567 -1.567 730 HG2 GLU 96 1HG GLU 96 -1.462 -9.801 -1.662 731 HG3 GLU 96 2HG GLU 96 -0.879 -9.852 -3.324 732 H ARG 97 H ARG 97 -1.623 -6.439 0.001 733 HA ARG 97 HA ARG 97 -2.634 -8.420 1.664 734 HB2 ARG 97 1HB ARG 97 -2.236 -5.464 2.099 735 HB3 ARG 97 2HB ARG 97 -2.784 -6.536 3.380 736 HG2 ARG 97 1HG ARG 97 -0.718 -7.897 3.009 737 HG3 ARG 97 2HG ARG 97 -0.162 -6.631 1.912 738 HD2 ARG 97 1HD ARG 97 -0.406 -5.001 3.779 739 HD3 ARG 97 2HD ARG 97 -0.786 -6.350 4.848 740 HE ARG 97 HE ARG 97 1.716 -6.584 3.417 741 HH11 ARG 97 2HH1 ARG 97 0.108 -5.518 6.316 742 HH12 ARG 97 1HH1 ARG 97 1.545 -5.556 7.283 743 HH21 ARG 97 2HH2 ARG 97 3.614 -6.638 4.680 744 HH22 ARG 97 1HH2 ARG 97 3.539 -6.192 6.351 745 H HIS 98 H HIS 98 -4.231 -5.573 0.312 746 HA HIS 98 HA HIS 98 -6.704 -6.093 1.695 747 HB2 HIS 98 1HB HIS 98 -5.875 -4.121 -0.426 748 HB3 HIS 98 2HB HIS 98 -7.550 -4.270 0.097 749 HD1 HIS 98 1HD HIS 98 -7.672 -1.976 1.191 750 HD2 HIS 98 2HD HIS 98 -4.613 -4.354 2.690 751 HE1 HIS 98 1HE HIS 98 -6.835 -0.782 3.240 752 HE2 HIS 98 2HE HIS 98 -4.928 -2.196 4.081 753 H GLY 99 H GLY 99 -5.324 -7.877 -0.514 754 HA2 GLY 99 1HA GLY 99 -6.090 -9.434 -2.018 755 HA3 GLY 99 2HA GLY 99 -7.705 -9.100 -1.411 756 H LEU 100 H LEU 100 -5.499 -6.824 -2.972 757 HA LEU 100 HA LEU 100 -7.547 -6.377 -5.025 758 HB2 LEU 100 1HB LEU 100 -5.183 -4.674 -4.248 759 HB3 LEU 100 2HB LEU 100 -6.412 -4.252 -5.439 760 HG LEU 100 HG LEU 100 -6.536 -4.194 -2.472 761 HD11 LEU 100 1HD1 LEU 100 -8.038 -2.216 -3.147 762 HD12 LEU 100 2HD1 LEU 100 -7.386 -2.468 -4.766 763 HD13 LEU 100 3HD1 LEU 100 -6.301 -2.090 -3.428 764 HD21 LEU 100 1HD2 LEU 100 -8.839 -4.900 -4.268 765 HD22 LEU 100 2HD2 LEU 100 -9.065 -4.128 -2.698 766 HD23 LEU 100 3HD2 LEU 100 -8.301 -5.715 -2.800 767 H ILE 101 H ILE 101 -4.362 -7.583 -4.543 768 HA ILE 101 HA ILE 101 -4.145 -8.098 -7.420 769 HB ILE 101 HB ILE 101 -1.804 -7.518 -7.484 770 HG12 ILE 101 1HG1 ILE 101 -2.030 -6.459 -4.670 771 HG13 ILE 101 2HG1 ILE 101 -1.456 -8.087 -5.014 772 HG21 ILE 101 1HG2 ILE 101 -2.542 -5.016 -6.286 773 HG22 ILE 101 2HG2 ILE 101 -2.352 -5.428 -7.990 774 HG23 ILE 101 3HG2 ILE 101 -3.901 -5.686 -7.189 775 HD11 ILE 101 1HD1 ILE 101 0.027 -6.416 -6.680 776 HD12 ILE 101 2HD1 ILE 101 -0.047 -5.592 -5.122 777 HD13 ILE 101 3HD1 ILE 101 0.573 -7.240 -5.220 778 H ASN 102 H ASN 102 -3.077 -9.994 -7.968 779 HA ASN 102 HA ASN 102 -2.352 -12.135 -7.723 780 HB2 ASN 102 1HB ASN 102 -1.294 -11.277 -5.026 781 HB3 ASN 102 2HB ASN 102 -0.725 -12.612 -6.024 782 HD21 ASN 102 1HD2 ASN 102 1.353 -11.544 -5.690 783 HD22 ASN 102 2HD2 ASN 102 1.809 -10.265 -6.759 784 H PHE 103 H PHE 103 -4.930 -12.000 -7.299 785 HA PHE 103 HA PHE 103 -5.413 -13.566 -4.850 786 HB2 PHE 103 1HB PHE 103 -7.812 -12.728 -5.092 787 HB3 PHE 103 2HB PHE 103 -6.614 -11.545 -4.578 788 HD1 PHE 103 1HD PHE 103 -7.826 -12.879 -7.850 789 HD2 PHE 103 2HD PHE 103 -6.945 -9.466 -5.465 790 HE1 PHE 103 1HE PHE 103 -8.484 -11.412 -9.712 791 HE2 PHE 103 2HE PHE 103 -7.602 -7.993 -7.323 792 HZ PHE 103 HZ PHE 103 -8.374 -8.966 -9.450 793 H GLY 104 H GLY 104 -4.684 -14.329 -7.692 794 HA2 GLY 104 1HA GLY 104 -6.123 -16.702 -7.873 795 HA3 GLY 104 2HA GLY 104 -6.950 -15.536 -8.896 796 H ILE 105 H ILE 105 -3.637 -16.685 -8.248 797 HA ILE 105 HA ILE 105 -3.237 -16.879 -11.151 798 HB ILE 105 HB ILE 105 -0.954 -16.008 -10.933 799 HG12 ILE 105 1HG1 ILE 105 -0.642 -16.585 -8.539 800 HG13 ILE 105 2HG1 ILE 105 -0.208 -14.917 -8.895 801 HG21 ILE 105 1HG2 ILE 105 -1.808 -14.040 -11.498 802 HG22 ILE 105 2HG2 ILE 105 -3.357 -14.538 -10.819 803 HG23 ILE 105 3HG2 ILE 105 -2.184 -13.689 -9.811 804 HD11 ILE 105 1HD1 ILE 105 -1.466 -14.390 -7.144 805 HD12 ILE 105 2HD1 ILE 105 -2.852 -14.730 -8.181 806 HD13 ILE 105 3HD1 ILE 105 -2.227 -15.980 -7.105 807 H TYR 106 H TYR 106 -2.158 -17.801 -7.918 808 HA TYR 106 HA TYR 106 -0.675 -20.067 -9.011 809 HB2 TYR 106 1HB TYR 106 -0.370 -20.329 -6.344 810 HB3 TYR 106 2HB TYR 106 0.660 -19.306 -7.338 811 HD1 TYR 106 1HD TYR 106 -2.244 -19.298 -5.048 812 HD2 TYR 106 2HD TYR 106 0.672 -16.948 -7.068 813 HE1 TYR 106 1HE TYR 106 -2.885 -17.348 -3.693 814 HE2 TYR 106 2HE TYR 106 0.039 -14.992 -5.718 815 HH TYR 106 HH TYR 106 -2.021 -14.221 -4.448 816 H LYS 107 H LYS 107 -0.899 -21.990 -7.169 817 HA LYS 107 HA LYS 107 -2.967 -23.552 -7.801 818 HB2 LYS 107 1HB LYS 107 -1.692 -23.224 -5.089 819 HB3 LYS 107 2HB LYS 107 -2.856 -24.496 -5.433 820 HG2 LYS 107 1HG LYS 107 -1.295 -25.123 -7.372 821 HG3 LYS 107 2HG LYS 107 -0.102 -24.120 -6.544 822 HD2 LYS 107 1HD LYS 107 -0.566 -25.498 -4.476 823 HD3 LYS 107 2HD LYS 107 -1.482 -26.592 -5.515 824 HE2 LYS 107 1HE LYS 107 0.595 -26.777 -6.939 825 HE3 LYS 107 2HE LYS 107 1.451 -25.924 -5.656 826 HZ1 LYS 107 1HZ LYS 107 1.631 -28.370 -5.520 827 HZ2 LYS 107 2HZ LYS 107 -0.038 -28.461 -5.262 828 HZ3 LYS 107 3HZ LYS 107 0.951 -27.679 -4.134 829 H ARG 108 H ARG 108 -3.153 -20.776 -5.700 830 HA ARG 108 HA ARG 108 -5.359 -20.986 -4.226 831 HB2 ARG 108 1HB ARG 108 -4.101 -18.880 -4.573 832 HB3 ARG 108 2HB ARG 108 -4.898 -18.682 -6.128 833 HG2 ARG 108 1HG ARG 108 -6.150 -17.319 -4.766 834 HG3 ARG 108 2HG ARG 108 -7.083 -18.817 -4.737 835 HD2 ARG 108 1HD ARG 108 -6.208 -19.411 -2.603 836 HD3 ARG 108 2HD ARG 108 -5.018 -18.112 -2.663 837 HE ARG 108 HE ARG 108 -7.787 -17.272 -2.759 838 HH11 ARG 108 2HH1 ARG 108 -4.991 -17.899 -0.783 839 HH12 ARG 108 1HH1 ARG 108 -5.533 -16.905 0.528 840 HH21 ARG 108 2HH2 ARG 108 -8.512 -15.960 -1.040 841 HH22 ARG 108 1HH2 ARG 108 -7.536 -15.804 0.382 842 H ILE 109 H ILE 109 -7.617 -20.757 -4.460 843 HA ILE 109 HA ILE 109 -8.926 -22.288 -6.239 844 HB ILE 109 HB ILE 109 -10.046 -19.652 -5.284 845 HG12 ILE 109 1HG1 ILE 109 -9.158 -20.821 -3.371 846 HG13 ILE 109 2HG1 ILE 109 -10.909 -20.998 -3.358 847 HG21 ILE 109 1HG2 ILE 109 -11.136 -21.884 -6.758 848 HG22 ILE 109 2HG2 ILE 109 -12.011 -21.618 -5.252 849 HG23 ILE 109 3HG2 ILE 109 -11.845 -20.306 -6.418 850 HD11 ILE 109 1HD1 ILE 109 -9.779 -23.072 -2.766 851 HD12 ILE 109 2HD1 ILE 109 -10.698 -23.243 -4.262 852 HD13 ILE 109 3HD1 ILE 109 -8.945 -23.065 -4.319 853 H LYS 110 H LYS 110 -8.740 -22.350 -8.380 854 HA LYS 110 HA LYS 110 -7.819 -20.582 -10.163 855 HB2 LYS 110 1HB LYS 110 -8.723 -22.895 -10.635 856 HB3 LYS 110 2HB LYS 110 -10.324 -22.172 -10.724 857 HG2 LYS 110 1HG LYS 110 -9.625 -22.325 -12.941 858 HG3 LYS 110 2HG LYS 110 -9.343 -20.637 -12.510 859 HD2 LYS 110 1HD LYS 110 -7.346 -21.118 -13.512 860 HD3 LYS 110 2HD LYS 110 -6.960 -21.573 -11.851 861 HE2 LYS 110 1HE LYS 110 -7.104 -23.843 -12.306 862 HE3 LYS 110 2HE LYS 110 -8.097 -23.594 -13.741 863 HZ1 LYS 110 1HZ LYS 110 -5.353 -23.944 -13.632 864 HZ2 LYS 110 2HZ LYS 110 -5.593 -22.327 -14.065 865 HZ3 LYS 110 3HZ LYS 110 -6.286 -23.562 -14.991 866 HA PRO 111 HA PRO 111 -10.394 -16.996 -10.036 867 HB2 PRO 111 1HB PRO 111 -9.549 -15.852 -12.349 868 HB3 PRO 111 2HB PRO 111 -8.579 -15.861 -10.871 869 HG2 PRO 111 1HG PRO 111 -8.399 -17.648 -13.267 870 HG3 PRO 111 2HG PRO 111 -7.094 -16.887 -12.338 871 HD2 PRO 111 1HD PRO 111 -7.797 -19.481 -12.007 872 HD3 PRO 111 2HD PRO 111 -7.176 -18.483 -10.677 873 H LEU 112 H LEU 112 -12.299 -16.248 -10.916 874 HA LEU 112 HA LEU 112 -13.324 -17.692 -13.270 875 HB2 LEU 112 1HB LEU 112 -14.543 -17.227 -10.603 876 HB3 LEU 112 2HB LEU 112 -15.602 -17.171 -12.010 877 HG LEU 112 HG LEU 112 -13.825 -19.526 -11.420 878 HD11 LEU 112 1HD1 LEU 112 -16.540 -18.852 -10.358 879 HD12 LEU 112 2HD1 LEU 112 -15.143 -19.519 -9.514 880 HD13 LEU 112 3HD1 LEU 112 -16.067 -20.530 -10.624 881 HD21 LEU 112 1HD2 LEU 112 -15.455 -20.688 -12.852 882 HD22 LEU 112 2HD2 LEU 112 -14.637 -19.373 -13.697 883 HD23 LEU 112 3HD2 LEU 112 -16.290 -19.158 -13.119 884 HA PRO 113 HA PRO 113 -14.101 -13.724 -15.006 885 HB2 PRO 113 1HB PRO 113 -16.034 -14.400 -16.788 886 HB3 PRO 113 2HB PRO 113 -14.331 -14.813 -17.016 887 HG2 PRO 113 1HG PRO 113 -16.571 -16.512 -15.988 888 HG3 PRO 113 2HG PRO 113 -15.281 -16.932 -17.129 889 HD2 PRO 113 1HD PRO 113 -15.203 -17.641 -14.517 890 HD3 PRO 113 2HD PRO 113 -13.738 -17.279 -15.452 891 H THR 114 H THR 114 -14.999 -12.677 -13.176 892 HA THR 114 HA THR 114 -17.785 -12.989 -12.526 893 HB THR 114 HB THR 114 -17.374 -11.032 -10.998 894 HG1 THR 114 1HG THR 114 -15.611 -9.920 -11.309 895 HG21 THR 114 1HG2 THR 114 -15.369 -13.269 -10.693 896 HG22 THR 114 2HG2 THR 114 -17.085 -13.417 -10.313 897 HG23 THR 114 3HG2 THR 114 -16.076 -12.287 -9.411 898 H LYS 115 H LYS 115 -15.891 -10.148 -13.572 899 HA LYS 115 HA LYS 115 -17.735 -9.436 -15.613 900 HB2 LYS 115 1HB LYS 115 -18.918 -8.828 -13.397 901 HB3 LYS 115 2HB LYS 115 -17.743 -7.523 -13.292 902 HG2 LYS 115 1HG LYS 115 -18.531 -6.576 -15.355 903 HG3 LYS 115 2HG LYS 115 -19.611 -7.947 -15.615 904 HD2 LYS 115 1HD LYS 115 -20.610 -7.276 -13.318 905 HD3 LYS 115 2HD LYS 115 -19.815 -5.728 -13.613 906 HE2 LYS 115 1HE LYS 115 -21.883 -5.336 -14.530 907 HE3 LYS 115 2HE LYS 115 -20.998 -5.912 -15.942 908 HZ1 LYS 115 1HZ LYS 115 -22.010 -8.004 -15.801 909 HZ2 LYS 115 2HZ LYS 115 -23.269 -6.905 -15.543 910 HZ3 LYS 115 3HZ LYS 115 -22.587 -7.732 -14.234 911 H LYS 116 H LYS 116 -16.847 -7.987 -17.006 912 HA LYS 116 HA LYS 116 -14.577 -6.370 -16.143 913 HB2 LYS 116 1HB LYS 116 -14.462 -8.463 -18.311 914 HB3 LYS 116 2HB LYS 116 -13.317 -7.131 -18.223 915 HG2 LYS 116 1HG LYS 116 -13.725 -8.841 -15.820 916 HG3 LYS 116 2HG LYS 116 -12.761 -9.457 -17.165 917 HD2 LYS 116 1HD LYS 116 -11.503 -7.219 -17.017 918 HD3 LYS 116 2HD LYS 116 -12.262 -7.056 -15.432 919 HE2 LYS 116 1HE LYS 116 -10.550 -9.375 -16.324 920 HE3 LYS 116 2HE LYS 116 -10.010 -8.044 -15.302 921 HZ1 LYS 116 1HZ LYS 116 -12.288 -9.787 -14.567 922 HZ2 LYS 116 2HZ LYS 116 -11.427 -8.723 -13.573 923 HZ3 LYS 116 3HZ LYS 116 -10.694 -10.144 -14.126 924 H THR 117 H THR 117 -14.386 -4.465 -17.223 925 HA THR 117 HA THR 117 -16.093 -4.049 -19.582 926 HB THR 117 HB THR 117 -15.855 -2.134 -17.252 927 HG1 THR 117 1HG THR 117 -17.650 -3.023 -16.572 928 HG21 THR 117 1HG2 THR 117 -17.040 -1.905 -19.984 929 HG22 THR 117 2HG2 THR 117 -16.135 -0.715 -19.047 930 HG23 THR 117 3HG2 THR 117 -17.813 -1.070 -18.637 931 H GLY 118 H GLY 118 -14.927 -3.341 -21.239 932 HA2 GLY 118 1HA GLY 118 -13.316 -1.127 -21.338 933 HA3 GLY 118 2HA GLY 118 -12.229 -2.434 -20.893 934 H SER 119 H SER 119 -12.533 -4.459 -22.334 935 HA SER 119 HA SER 119 -11.880 -5.214 -24.414 936 HB2 SER 119 1HB SER 119 -14.562 -3.965 -25.059 937 HB3 SER 119 2HB SER 119 -13.763 -5.237 -25.984 938 HG SER 119 HG SER 119 -15.047 -6.373 -24.688 939 H GLY 120 H GLY 120 -10.669 -2.742 -23.921 940 HA2 GLY 120 1HA GLY 120 -10.838 -1.424 -26.560 941 HA3 GLY 120 2HA GLY 120 -10.365 -0.605 -25.079 942 HA PRO 121 HA PRO 121 -6.725 -3.459 -26.612 943 HB2 PRO 121 1HB PRO 121 -6.726 -3.867 -29.296 944 HB3 PRO 121 2HB PRO 121 -7.495 -4.977 -28.156 945 HG2 PRO 121 1HG PRO 121 -8.733 -2.833 -29.840 946 HG3 PRO 121 2HG PRO 121 -9.309 -4.480 -29.524 947 HD2 PRO 121 1HD PRO 121 -10.308 -2.316 -28.239 948 HD3 PRO 121 2HD PRO 121 -10.193 -3.912 -27.472 949 H SER 122 H SER 122 -7.991 -0.555 -27.607 950 HA SER 122 HA SER 122 -5.465 0.317 -28.840 951 HB2 SER 122 1HB SER 122 -7.471 0.660 -30.234 952 HB3 SER 122 2HB SER 122 -8.192 1.632 -28.950 953 HG SER 122 HG SER 122 -7.127 2.864 -30.620 954 H SER 123 H SER 123 -4.272 1.906 -27.932 955 HA SER 123 HA SER 123 -5.297 3.085 -25.431 956 HB2 SER 123 1HB SER 123 -3.008 3.103 -24.586 957 HB3 SER 123 2HB SER 123 -3.455 1.466 -25.066 958 HG SER 123 HG SER 123 -2.253 3.053 -27.005 959 H GLY 124 H GLY 124 -5.188 5.253 -25.181 960 HA2 GLY 124 1HA GLY 124 -3.404 7.023 -26.345 961 HA3 GLY 124 2HA GLY 124 -4.742 6.876 -27.475 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -26.902 -7.836 -34.105 2 HA2 GLY 1 1HA GLY 1 -25.061 -6.338 -34.146 3 HA3 GLY 1 2HA GLY 1 -24.960 -7.087 -32.559 4 H SER 2 H SER 2 -22.672 -6.140 -33.346 5 HA SER 2 HA SER 2 -21.108 -8.521 -33.970 6 HB2 SER 2 1HB SER 2 -21.056 -5.977 -35.587 7 HB3 SER 2 2HB SER 2 -19.679 -7.078 -35.545 8 HG SER 2 HG SER 2 -21.177 -7.464 -37.290 9 H SER 3 H SER 3 -19.518 -8.697 -32.547 10 HA SER 3 HA SER 3 -18.255 -6.268 -31.495 11 HB2 SER 3 1HB SER 3 -20.072 -7.319 -29.946 12 HB3 SER 3 2HB SER 3 -18.851 -8.555 -29.641 13 HG SER 3 HG SER 3 -17.795 -6.071 -29.467 14 H GLY 4 H GLY 4 -16.166 -6.703 -30.430 15 HA2 GLY 4 1HA GLY 4 -14.914 -9.262 -30.965 16 HA3 GLY 4 2HA GLY 4 -14.315 -7.932 -31.946 17 H SER 5 H SER 5 -12.603 -6.904 -31.177 18 HA SER 5 HA SER 5 -11.570 -7.483 -28.585 19 HB2 SER 5 1HB SER 5 -10.710 -5.425 -30.633 20 HB3 SER 5 2HB SER 5 -9.796 -5.851 -29.186 21 HG SER 5 HG SER 5 -10.562 -7.757 -31.134 22 H SER 6 H SER 6 -12.646 -6.732 -26.861 23 HA SER 6 HA SER 6 -13.993 -4.205 -26.846 24 HB2 SER 6 1HB SER 6 -14.515 -4.719 -24.519 25 HB3 SER 6 2HB SER 6 -14.780 -6.147 -25.519 26 HG SER 6 HG SER 6 -12.431 -6.565 -24.844 27 H GLY 7 H GLY 7 -13.186 -2.269 -26.370 28 HA2 GLY 7 1HA GLY 7 -10.835 -2.077 -24.629 29 HA3 GLY 7 2HA GLY 7 -10.724 -1.387 -26.242 30 H GLU 8 H GLU 8 -13.261 -1.383 -23.737 31 HA GLU 8 HA GLU 8 -13.838 1.389 -24.268 32 HB2 GLU 8 1HB GLU 8 -15.493 -0.484 -23.584 33 HB3 GLU 8 2HB GLU 8 -14.934 -0.171 -21.947 34 HG2 GLU 8 1HG GLU 8 -16.855 1.121 -22.158 35 HG3 GLU 8 2HG GLU 8 -15.535 2.266 -22.389 36 H GLU 9 H GLU 9 -11.228 1.237 -23.505 37 HA GLU 9 HA GLU 9 -11.282 2.492 -20.843 38 HB2 GLU 9 1HB GLU 9 -9.110 1.530 -20.336 39 HB3 GLU 9 2HB GLU 9 -10.260 0.253 -20.707 40 HG2 GLU 9 1HG GLU 9 -9.301 0.394 -23.096 41 HG3 GLU 9 2HG GLU 9 -7.959 1.244 -22.333 42 HA PRO 10 HA PRO 10 -9.298 5.944 -22.694 43 HB2 PRO 10 1HB PRO 10 -7.866 6.889 -20.590 44 HB3 PRO 10 2HB PRO 10 -9.624 7.037 -20.699 45 HG2 PRO 10 1HG PRO 10 -7.981 5.042 -19.188 46 HG3 PRO 10 2HG PRO 10 -9.437 5.913 -18.672 47 HD2 PRO 10 1HD PRO 10 -9.504 3.346 -19.530 48 HD3 PRO 10 2HD PRO 10 -10.847 4.476 -19.793 49 H SER 11 H SER 11 -7.703 3.160 -22.000 50 HA SER 11 HA SER 11 -5.625 2.321 -22.411 51 HB2 SER 11 1HB SER 11 -4.582 3.029 -24.444 52 HB3 SER 11 2HB SER 11 -6.322 3.187 -24.688 53 HG SER 11 HG SER 11 -4.477 5.256 -24.079 54 H GLY 12 H GLY 12 -5.714 3.962 -20.178 55 HA2 GLY 12 1HA GLY 12 -2.946 4.907 -20.134 56 HA3 GLY 12 2HA GLY 12 -4.197 6.061 -19.698 57 H VAL 13 H VAL 13 -2.070 5.176 -18.013 58 HA VAL 13 HA VAL 13 -2.602 3.167 -16.226 59 HB VAL 13 HB VAL 13 -1.459 5.894 -15.610 60 HG11 VAL 13 1HG1 VAL 13 -0.325 4.442 -13.752 61 HG12 VAL 13 2HG1 VAL 13 -1.938 5.112 -13.500 62 HG13 VAL 13 3HG1 VAL 13 -1.746 3.421 -13.967 63 HG21 VAL 13 1HG2 VAL 13 -0.216 3.280 -16.435 64 HG22 VAL 13 2HG2 VAL 13 -0.122 4.837 -17.259 65 HG23 VAL 13 3HG2 VAL 13 0.707 4.603 -15.720 66 H GLU 14 H GLU 14 -3.750 6.532 -16.015 67 HA GLU 14 HA GLU 14 -5.120 6.505 -13.668 68 HB2 GLU 14 1HB GLU 14 -5.992 7.744 -16.282 69 HB3 GLU 14 2HB GLU 14 -6.722 8.110 -14.726 70 HG2 GLU 14 1HG GLU 14 -4.924 9.311 -14.002 71 HG3 GLU 14 2HG GLU 14 -3.782 8.414 -15.002 72 H GLY 15 H GLY 15 -6.474 5.487 -16.808 73 HA2 GLY 15 1HA GLY 15 -8.992 4.792 -16.277 74 HA3 GLY 15 2HA GLY 15 -7.948 3.729 -17.210 75 H ALA 16 H ALA 16 -6.236 2.742 -15.343 76 HA ALA 16 HA ALA 16 -7.456 0.577 -14.273 77 HB1 ALA 16 1HB ALA 16 -5.281 1.904 -12.700 78 HB2 ALA 16 2HB ALA 16 -5.547 0.188 -13.011 79 HB3 ALA 16 3HB ALA 16 -4.959 1.237 -14.301 80 H ALA 17 H ALA 17 -6.664 3.444 -12.295 81 HA ALA 17 HA ALA 17 -7.785 2.924 -9.939 82 HB1 ALA 17 1HB ALA 17 -6.827 5.125 -10.718 83 HB2 ALA 17 2HB ALA 17 -8.435 5.509 -11.333 84 HB3 ALA 17 3HB ALA 17 -8.194 5.231 -9.608 85 H PHE 18 H PHE 18 -9.598 3.546 -12.886 86 HA PHE 18 HA PHE 18 -12.131 3.994 -12.065 87 HB2 PHE 18 1HB PHE 18 -11.600 3.772 -14.413 88 HB3 PHE 18 2HB PHE 18 -11.241 2.061 -14.211 89 HD1 PHE 18 2HD PHE 18 -14.033 4.473 -13.673 90 HD2 PHE 18 1HD PHE 18 -12.858 0.534 -14.777 91 HE1 PHE 18 2HE PHE 18 -16.374 3.925 -14.196 92 HE2 PHE 18 1HE PHE 18 -15.197 -0.020 -15.303 93 HZ PHE 18 HZ PHE 18 -16.959 1.676 -15.012 94 H GLN 19 H GLN 19 -10.864 0.688 -12.520 95 HA GLN 19 HA GLN 19 -12.869 -0.844 -11.617 96 HB2 GLN 19 1HB GLN 19 -11.286 -2.485 -10.927 97 HB3 GLN 19 2HB GLN 19 -10.564 -1.614 -12.272 98 HG2 GLN 19 1HG GLN 19 -9.037 -0.522 -10.914 99 HG3 GLN 19 2HG GLN 19 -9.983 -0.806 -9.455 100 HE21 GLN 19 1HE2 GLN 19 -9.983 -2.900 -8.535 101 HE22 GLN 19 2HE2 GLN 19 -8.688 -4.002 -8.838 102 H SER 20 H SER 20 -10.870 1.234 -9.630 103 HA SER 20 HA SER 20 -12.410 0.419 -7.258 104 HB2 SER 20 1HB SER 20 -10.552 1.505 -5.962 105 HB3 SER 20 2HB SER 20 -10.046 0.107 -6.910 106 HG SER 20 HG SER 20 -8.618 1.893 -7.137 107 H ARG 21 H ARG 21 -13.712 1.840 -6.268 108 HA ARG 21 HA ARG 21 -14.244 4.356 -7.532 109 HB2 ARG 21 1HB ARG 21 -15.406 2.833 -5.237 110 HB3 ARG 21 2HB ARG 21 -15.780 4.544 -5.397 111 HG2 ARG 21 1HG ARG 21 -16.196 2.568 -7.622 112 HG3 ARG 21 2HG ARG 21 -17.431 2.943 -6.419 113 HD2 ARG 21 1HD ARG 21 -17.973 4.395 -8.130 114 HD3 ARG 21 2HD ARG 21 -16.967 5.408 -7.096 115 HE ARG 21 HE ARG 21 -15.560 4.032 -9.214 116 HH11 ARG 21 2HH1 ARG 21 -17.221 6.926 -8.222 117 HH12 ARG 21 1HH1 ARG 21 -16.462 7.927 -9.416 118 HH21 ARG 21 2HH2 ARG 21 -14.554 5.339 -10.790 119 HH22 ARG 21 1HH2 ARG 21 -14.946 7.023 -10.877 120 H LEU 22 H LEU 22 -12.044 5.220 -7.197 121 HA LEU 22 HA LEU 22 -12.002 6.917 -4.863 122 HB2 LEU 22 1HB LEU 22 -9.842 6.257 -4.061 123 HB3 LEU 22 2HB LEU 22 -10.905 4.852 -4.078 124 HG LEU 22 HG LEU 22 -9.736 4.456 -6.424 125 HD11 LEU 22 1HD1 LEU 22 -8.403 6.684 -5.779 126 HD12 LEU 22 2HD1 LEU 22 -7.704 5.390 -6.751 127 HD13 LEU 22 3HD1 LEU 22 -7.347 5.489 -5.027 128 HD21 LEU 22 1HD2 LEU 22 -9.481 3.437 -3.818 129 HD22 LEU 22 2HD2 LEU 22 -7.843 3.602 -4.450 130 HD23 LEU 22 3HD2 LEU 22 -9.039 2.653 -5.335 131 HA PRO 23 HA PRO 23 -10.195 9.677 -7.771 132 HB2 PRO 23 1HB PRO 23 -8.988 11.415 -6.070 133 HB3 PRO 23 2HB PRO 23 -10.739 11.357 -6.300 134 HG2 PRO 23 1HG PRO 23 -9.076 10.162 -4.116 135 HG3 PRO 23 2HG PRO 23 -10.622 11.023 -4.002 136 HD2 PRO 23 1HD PRO 23 -10.448 8.323 -3.910 137 HD3 PRO 23 2HD PRO 23 -11.845 9.167 -4.610 138 H HIS 24 H HIS 24 -8.316 9.938 -8.881 139 HA HIS 24 HA HIS 24 -5.999 8.447 -7.916 140 HB2 HIS 24 1HB HIS 24 -6.330 7.800 -10.095 141 HB3 HIS 24 2HB HIS 24 -6.966 9.369 -10.579 142 HD1 HIS 24 1HD HIS 24 -3.566 8.240 -9.268 143 HD2 HIS 24 2HD HIS 24 -5.255 10.456 -12.350 144 HE1 HIS 24 1HE HIS 24 -1.627 9.096 -10.622 145 HE2 HIS 24 2HE HIS 24 -2.670 10.504 -12.431 146 H ASP 25 H ASP 25 -7.089 11.672 -8.297 147 HA ASP 25 HA ASP 25 -4.473 12.872 -8.428 148 HB2 ASP 25 1HB ASP 25 -6.224 14.104 -9.466 149 HB3 ASP 25 2HB ASP 25 -7.246 13.992 -8.036 150 H ARG 26 H ARG 26 -6.762 11.992 -5.952 151 HA ARG 26 HA ARG 26 -4.837 12.906 -3.924 152 HB2 ARG 26 1HB ARG 26 -6.634 13.632 -2.478 153 HB3 ARG 26 2HB ARG 26 -6.768 14.457 -4.025 154 HG2 ARG 26 1HG ARG 26 -8.475 12.740 -4.682 155 HG3 ARG 26 2HG ARG 26 -8.437 12.173 -3.011 156 HD2 ARG 26 1HD ARG 26 -9.173 14.941 -3.956 157 HD3 ARG 26 2HD ARG 26 -10.278 13.718 -3.331 158 HE ARG 26 HE ARG 26 -8.153 14.477 -1.527 159 HH11 ARG 26 2HH1 ARG 26 -11.415 15.073 -2.588 160 HH12 ARG 26 1HH1 ARG 26 -11.896 15.834 -1.109 161 HH21 ARG 26 2HH2 ARG 26 -8.774 15.478 0.426 162 HH22 ARG 26 1HH2 ARG 26 -10.393 16.065 0.605 163 H MET 27 H MET 27 -5.468 11.881 -1.710 164 HA MET 27 HA MET 27 -5.844 9.013 -2.206 165 HB2 MET 27 1HB MET 27 -4.727 10.356 0.259 166 HB3 MET 27 2HB MET 27 -4.696 8.638 -0.111 167 HG2 MET 27 1HG MET 27 -3.044 8.872 -1.702 168 HG3 MET 27 2HG MET 27 -3.395 10.579 -1.963 169 HE1 MET 27 1HE MET 27 -0.992 8.233 0.712 170 HE2 MET 27 2HE MET 27 -1.923 9.031 1.979 171 HE3 MET 27 3HE MET 27 -2.752 8.127 0.711 172 H THR 28 H THR 28 -6.994 7.765 -0.522 173 HA THR 28 HA THR 28 -9.388 9.225 0.333 174 HB THR 28 HB THR 28 -10.428 6.992 0.590 175 HG1 THR 28 1HG THR 28 -7.918 6.164 0.501 176 HG21 THR 28 1HG2 THR 28 -11.091 7.348 -1.507 177 HG22 THR 28 2HG2 THR 28 -9.650 6.509 -2.082 178 HG23 THR 28 3HG2 THR 28 -9.619 8.257 -1.847 179 H SER 29 H SER 29 -10.429 8.192 2.375 180 HA SER 29 HA SER 29 -8.945 8.866 4.593 181 HB2 SER 29 1HB SER 29 -10.616 7.552 5.907 182 HB3 SER 29 2HB SER 29 -11.351 8.632 4.723 183 HG SER 29 HG SER 29 -11.703 6.874 3.380 184 H GLN 30 H GLN 30 -9.139 5.778 2.939 185 HA GLN 30 HA GLN 30 -7.762 4.284 4.938 186 HB2 GLN 30 1HB GLN 30 -8.664 3.812 2.147 187 HB3 GLN 30 2HB GLN 30 -7.368 2.789 2.753 188 HG2 GLN 30 1HG GLN 30 -8.709 1.728 4.245 189 HG3 GLN 30 2HG GLN 30 -9.755 3.129 4.471 190 HE21 GLN 30 1HE2 GLN 30 -10.691 3.735 2.089 191 HE22 GLN 30 2HE2 GLN 30 -11.554 2.417 1.378 192 H GLU 31 H GLU 31 -6.715 5.210 1.653 193 HA GLU 31 HA GLU 31 -4.051 4.564 1.885 194 HB2 GLU 31 1HB GLU 31 -5.409 6.753 0.321 195 HB3 GLU 31 2HB GLU 31 -3.685 6.437 0.184 196 HG2 GLU 31 1HG GLU 31 -5.243 5.384 -1.540 197 HG3 GLU 31 2HG GLU 31 -4.012 4.361 -0.801 198 H ALA 32 H ALA 32 -5.689 7.505 2.930 199 HA ALA 32 HA ALA 32 -3.375 8.976 3.609 200 HB1 ALA 32 1HB ALA 32 -4.832 10.589 4.101 201 HB2 ALA 32 2HB ALA 32 -6.086 9.477 3.551 202 HB3 ALA 32 3HB ALA 32 -5.685 9.575 5.265 203 H ALA 33 H ALA 33 -5.407 6.736 5.431 204 HA ALA 33 HA ALA 33 -4.116 7.172 7.934 205 HB1 ALA 33 1HB ALA 33 -6.098 6.236 8.418 206 HB2 ALA 33 2HB ALA 33 -6.187 5.381 6.878 207 HB3 ALA 33 3HB ALA 33 -5.231 4.715 8.202 208 H CYS 34 H CYS 34 -3.777 4.749 5.373 209 HA CYS 34 HA CYS 34 -1.861 3.160 6.724 210 HB2 CYS 34 1HB CYS 34 -2.876 3.374 3.934 211 HB3 CYS 34 2HB CYS 34 -1.338 2.555 4.176 212 HG CYS 34 HG CYS 34 -4.117 1.140 4.212 213 H PHE 35 H PHE 35 -1.584 5.788 4.366 214 HA PHE 35 HA PHE 35 1.297 5.917 4.972 215 HB2 PHE 35 1HB PHE 35 -0.012 6.910 2.438 216 HB3 PHE 35 2HB PHE 35 1.710 6.728 2.758 217 HD1 PHE 35 2HD PHE 35 -1.410 4.691 2.641 218 HD2 PHE 35 1HD PHE 35 2.786 4.866 1.951 219 HE1 PHE 35 2HE PHE 35 -1.477 2.426 1.683 220 HE2 PHE 35 1HE PHE 35 2.726 2.601 0.991 221 HZ PHE 35 HZ PHE 35 0.593 1.378 0.857 222 HA PRO 36 HA PRO 36 -0.461 9.789 6.672 223 HB2 PRO 36 1HB PRO 36 1.393 10.006 8.643 224 HB3 PRO 36 2HB PRO 36 -0.059 9.010 8.796 225 HG2 PRO 36 1HG PRO 36 2.736 8.190 8.107 226 HG3 PRO 36 2HG PRO 36 1.576 7.406 9.195 227 HD2 PRO 36 1HD PRO 36 2.026 6.532 6.672 228 HD3 PRO 36 2HD PRO 36 0.443 6.393 7.462 229 H ASP 37 H ASP 37 2.975 8.996 6.198 230 HA ASP 37 HA ASP 37 3.945 11.613 6.035 231 HB2 ASP 37 1HB ASP 37 4.978 9.127 4.652 232 HB3 ASP 37 2HB ASP 37 5.877 10.628 4.853 233 H ILE 38 H ILE 38 2.504 9.528 3.595 234 HA ILE 38 HA ILE 38 3.104 11.200 1.374 235 HB ILE 38 HB ILE 38 0.940 9.114 1.670 236 HG12 ILE 38 1HG1 ILE 38 3.205 8.218 1.997 237 HG13 ILE 38 2HG1 ILE 38 2.504 7.639 0.489 238 HG21 ILE 38 1HG2 ILE 38 2.077 9.887 -0.961 239 HG22 ILE 38 2HG2 ILE 38 0.468 9.296 -0.553 240 HG23 ILE 38 3HG2 ILE 38 0.904 10.971 -0.215 241 HD11 ILE 38 1HD1 ILE 38 4.946 9.039 0.920 242 HD12 ILE 38 2HD1 ILE 38 4.308 8.343 -0.570 243 HD13 ILE 38 3HD1 ILE 38 3.900 10.000 -0.124 244 H ILE 39 H ILE 39 0.090 10.653 3.199 245 HA ILE 39 HA ILE 39 -1.417 12.623 1.873 246 HB ILE 39 HB ILE 39 -2.454 10.854 3.220 247 HG12 ILE 39 1HG1 ILE 39 -4.003 12.427 4.578 248 HG13 ILE 39 2HG1 ILE 39 -3.028 13.727 3.903 249 HG21 ILE 39 1HG2 ILE 39 -1.497 12.376 5.638 250 HG22 ILE 39 2HG2 ILE 39 -2.412 10.868 5.614 251 HG23 ILE 39 3HG2 ILE 39 -0.746 10.898 5.035 252 HD11 ILE 39 1HD1 ILE 39 -5.259 12.633 2.763 253 HD12 ILE 39 2HD1 ILE 39 -4.036 13.590 1.926 254 HD13 ILE 39 3HD1 ILE 39 -3.948 11.829 1.900 255 H SER 40 H SER 40 0.744 12.768 4.629 256 HA SER 40 HA SER 40 0.073 15.574 5.095 257 HB2 SER 40 1HB SER 40 0.472 13.735 6.930 258 HB3 SER 40 2HB SER 40 2.173 14.104 6.647 259 HG SER 40 HG SER 40 0.302 15.529 7.995 260 H GLY 41 H GLY 41 1.423 14.768 2.652 261 HA2 GLY 41 1HA GLY 41 3.963 16.229 3.039 262 HA3 GLY 41 2HA GLY 41 3.817 14.871 1.933 263 HA PRO 42 HA PRO 42 3.035 18.967 -0.258 264 HB2 PRO 42 1HB PRO 42 5.141 18.815 -1.964 265 HB3 PRO 42 2HB PRO 42 5.249 19.571 -0.370 266 HG2 PRO 42 1HG PRO 42 6.089 16.828 -1.227 267 HG3 PRO 42 2HG PRO 42 6.936 17.982 -0.180 268 HD2 PRO 42 1HD PRO 42 5.525 15.889 0.801 269 HD3 PRO 42 2HD PRO 42 5.667 17.434 1.664 270 H GLN 43 H GLN 43 2.032 19.125 -2.238 271 HA GLN 43 HA GLN 43 0.655 17.142 -3.366 272 HB2 GLN 43 1HB GLN 43 0.586 19.538 -4.066 273 HB3 GLN 43 2HB GLN 43 2.031 19.259 -5.028 274 HG2 GLN 43 1HG GLN 43 0.912 17.912 -6.551 275 HG3 GLN 43 2HG GLN 43 -0.423 17.603 -5.442 276 HE21 GLN 43 1HE2 GLN 43 0.958 19.808 -7.725 277 HE22 GLN 43 2HE2 GLN 43 -0.411 20.852 -7.861 278 H GLN 44 H GLN 44 3.971 17.977 -4.341 279 HA GLN 44 HA GLN 44 4.378 16.200 -6.380 280 HB2 GLN 44 1HB GLN 44 6.011 17.898 -5.456 281 HB3 GLN 44 2HB GLN 44 6.421 16.716 -4.220 282 HG2 GLN 44 1HG GLN 44 6.927 15.136 -6.167 283 HG3 GLN 44 2HG GLN 44 6.901 16.584 -7.172 284 HE21 GLN 44 1HE2 GLN 44 9.174 15.390 -7.291 285 HE22 GLN 44 2HE2 GLN 44 10.387 16.125 -6.305 286 H THR 45 H THR 45 5.254 15.513 -2.989 287 HA THR 45 HA THR 45 5.857 12.841 -3.257 288 HB THR 45 HB THR 45 4.642 14.320 -0.928 289 HG1 THR 45 1HG THR 45 6.791 14.855 -1.436 290 HG21 THR 45 1HG2 THR 45 5.867 12.024 0.058 291 HG22 THR 45 2HG2 THR 45 4.909 11.461 -1.311 292 HG23 THR 45 3HG2 THR 45 4.136 12.352 0.000 293 H GLN 46 H GLN 46 2.691 14.198 -2.329 294 HA GLN 46 HA GLN 46 1.233 11.891 -2.100 295 HB2 GLN 46 1HB GLN 46 0.429 14.587 -3.182 296 HB3 GLN 46 2HB GLN 46 -0.729 13.289 -2.925 297 HG2 GLN 46 1HG GLN 46 -0.081 13.231 -0.544 298 HG3 GLN 46 2HG GLN 46 0.985 14.605 -0.831 299 HE21 GLN 46 1HE2 GLN 46 -0.786 14.997 1.051 300 HE22 GLN 46 2HE2 GLN 46 -2.094 15.996 0.526 301 H LYS 47 H LYS 47 1.917 13.700 -5.075 302 HA LYS 47 HA LYS 47 0.428 12.064 -6.813 303 HB2 LYS 47 1HB LYS 47 2.829 13.829 -7.302 304 HB3 LYS 47 2HB LYS 47 1.940 13.027 -8.591 305 HG2 LYS 47 1HG LYS 47 -0.101 14.223 -7.873 306 HG3 LYS 47 2HG LYS 47 0.866 15.087 -6.676 307 HD2 LYS 47 1HD LYS 47 1.487 15.110 -9.622 308 HD3 LYS 47 2HD LYS 47 0.451 16.310 -8.846 309 HE2 LYS 47 1HE LYS 47 2.446 17.402 -8.709 310 HE3 LYS 47 2HE LYS 47 2.520 16.490 -7.202 311 HZ1 LYS 47 1HZ LYS 47 4.501 16.478 -8.894 312 HZ2 LYS 47 2HZ LYS 47 3.598 15.249 -9.626 313 HZ3 LYS 47 3HZ LYS 47 4.098 15.088 -8.018 314 H VAL 48 H VAL 48 3.884 12.023 -5.972 315 HA VAL 48 HA VAL 48 4.772 9.996 -7.596 316 HB VAL 48 HB VAL 48 5.578 10.512 -4.730 317 HG11 VAL 48 1HG1 VAL 48 6.752 8.772 -6.869 318 HG12 VAL 48 2HG1 VAL 48 7.764 9.461 -5.597 319 HG13 VAL 48 3HG1 VAL 48 6.426 8.390 -5.179 320 HG21 VAL 48 1HG2 VAL 48 7.238 11.952 -5.564 321 HG22 VAL 48 2HG2 VAL 48 7.009 11.395 -7.222 322 HG23 VAL 48 3HG2 VAL 48 5.774 12.386 -6.445 323 H PHE 49 H PHE 49 3.138 9.703 -4.467 324 HA PHE 49 HA PHE 49 3.291 6.845 -4.421 325 HB2 PHE 49 1HB PHE 49 3.094 7.652 -2.276 326 HB3 PHE 49 2HB PHE 49 2.002 8.949 -2.749 327 HD1 PHE 49 1HD PHE 49 -0.392 8.382 -3.272 328 HD2 PHE 49 2HD PHE 49 2.279 5.627 -1.431 329 HE1 PHE 49 1HE PHE 49 -2.309 7.056 -2.483 330 HE2 PHE 49 2HE PHE 49 0.367 4.296 -0.640 331 HZ PHE 49 HZ PHE 49 -1.931 5.009 -1.166 332 H LEU 50 H LEU 50 0.708 9.190 -5.092 333 HA LEU 50 HA LEU 50 -1.351 7.366 -5.568 334 HB2 LEU 50 1HB LEU 50 -0.809 10.154 -6.517 335 HB3 LEU 50 2HB LEU 50 -2.213 9.265 -7.102 336 HG LEU 50 HG LEU 50 -1.673 9.804 -4.186 337 HD11 LEU 50 1HD1 LEU 50 -2.034 11.845 -5.717 338 HD12 LEU 50 2HD1 LEU 50 -3.024 11.689 -4.266 339 HD13 LEU 50 3HD1 LEU 50 -3.695 11.264 -5.840 340 HD21 LEU 50 1HD2 LEU 50 -3.228 7.898 -5.128 341 HD22 LEU 50 2HD2 LEU 50 -4.349 9.239 -5.358 342 HD23 LEU 50 3HD2 LEU 50 -3.720 8.882 -3.749 343 H PHE 51 H PHE 51 1.473 7.906 -7.334 344 HA PHE 51 HA PHE 51 0.328 6.973 -9.855 345 HB2 PHE 51 1HB PHE 51 1.875 8.833 -10.023 346 HB3 PHE 51 2HB PHE 51 3.109 7.929 -9.151 347 HD1 PHE 51 1HD PHE 51 3.866 5.697 -10.240 348 HD2 PHE 51 2HD PHE 51 1.864 8.819 -12.328 349 HE1 PHE 51 1HE PHE 51 4.731 4.822 -12.371 350 HE2 PHE 51 2HE PHE 51 2.725 7.948 -14.462 351 HZ PHE 51 HZ PHE 51 4.159 5.947 -14.485 352 H ILE 52 H ILE 52 2.663 6.010 -7.387 353 HA ILE 52 HA ILE 52 3.614 3.682 -8.622 354 HB ILE 52 HB ILE 52 3.318 4.270 -5.675 355 HG12 ILE 52 1HG1 ILE 52 5.885 4.382 -7.216 356 HG13 ILE 52 2HG1 ILE 52 4.773 5.744 -7.291 357 HG21 ILE 52 1HG2 ILE 52 5.276 2.328 -6.831 358 HG22 ILE 52 2HG2 ILE 52 4.649 2.441 -5.187 359 HG23 ILE 52 3HG2 ILE 52 3.622 1.824 -6.482 360 HD11 ILE 52 1HD1 ILE 52 5.563 4.663 -4.634 361 HD12 ILE 52 2HD1 ILE 52 6.688 5.686 -5.528 362 HD13 ILE 52 3HD1 ILE 52 5.093 6.299 -5.093 363 H ARG 53 H ARG 53 0.779 4.261 -6.612 364 HA ARG 53 HA ARG 53 0.054 1.553 -6.250 365 HB2 ARG 53 1HB ARG 53 -0.891 3.184 -4.787 366 HB3 ARG 53 2HB ARG 53 -1.536 4.113 -6.134 367 HG2 ARG 53 1HG ARG 53 -2.828 1.845 -6.590 368 HG3 ARG 53 2HG ARG 53 -2.570 1.649 -4.856 369 HD2 ARG 53 1HD ARG 53 -4.566 2.768 -4.844 370 HD3 ARG 53 2HD ARG 53 -3.445 4.127 -4.781 371 HE ARG 53 HE ARG 53 -4.293 3.300 -7.429 372 HH11 ARG 53 2HH1 ARG 53 -4.768 5.447 -4.730 373 HH12 ARG 53 1HH1 ARG 53 -5.618 6.638 -5.658 374 HH21 ARG 53 2HH2 ARG 53 -5.411 4.860 -8.662 375 HH22 ARG 53 1HH2 ARG 53 -5.984 6.302 -7.895 376 H ASN 54 H ASN 54 -1.383 4.013 -8.403 377 HA ASN 54 HA ASN 54 -3.144 2.501 -9.809 378 HB2 ASN 54 1HB ASN 54 -1.450 4.841 -10.521 379 HB3 ASN 54 2HB ASN 54 -2.254 3.999 -11.843 380 HD21 ASN 54 1HD2 ASN 54 -2.545 6.554 -9.935 381 HD22 ASN 54 2HD2 ASN 54 -4.264 6.678 -9.814 382 H ARG 55 H ARG 55 0.272 2.945 -10.740 383 HA ARG 55 HA ARG 55 0.323 1.229 -12.909 384 HB2 ARG 55 1HB ARG 55 2.356 2.249 -10.997 385 HB3 ARG 55 2HB ARG 55 2.812 0.870 -11.988 386 HG2 ARG 55 1HG ARG 55 1.621 3.315 -13.232 387 HG3 ARG 55 2HG ARG 55 3.338 3.243 -12.831 388 HD2 ARG 55 1HD ARG 55 1.937 1.166 -14.501 389 HD3 ARG 55 2HD ARG 55 2.734 2.581 -15.187 390 HE ARG 55 HE ARG 55 4.378 0.961 -13.443 391 HH11 ARG 55 2HH1 ARG 55 3.340 1.604 -16.704 392 HH12 ARG 55 1HH1 ARG 55 4.726 0.860 -17.430 393 HH21 ARG 55 2HH2 ARG 55 6.207 -0.022 -14.388 394 HH22 ARG 55 1HH2 ARG 55 6.355 -0.065 -16.112 395 H THR 56 H THR 56 1.145 0.458 -9.528 396 HA THR 56 HA THR 56 1.821 -2.156 -9.676 397 HB THR 56 HB THR 56 -0.069 -1.015 -7.608 398 HG1 THR 56 1HG THR 56 2.448 -0.385 -8.168 399 HG21 THR 56 1HG2 THR 56 -0.125 -3.211 -7.029 400 HG22 THR 56 2HG2 THR 56 1.421 -2.812 -6.280 401 HG23 THR 56 3HG2 THR 56 1.382 -3.581 -7.867 402 H LEU 57 H LEU 57 -1.447 -0.848 -9.902 403 HA LEU 57 HA LEU 57 -2.656 -3.466 -10.055 404 HB2 LEU 57 1HB LEU 57 -3.641 -0.652 -10.183 405 HB3 LEU 57 2HB LEU 57 -4.673 -1.958 -10.763 406 HG LEU 57 HG LEU 57 -3.508 -1.960 -7.992 407 HD11 LEU 57 1HD1 LEU 57 -5.864 -1.158 -7.363 408 HD12 LEU 57 2HD1 LEU 57 -5.954 -0.572 -9.024 409 HD13 LEU 57 3HD1 LEU 57 -4.703 0.037 -7.941 410 HD21 LEU 57 1HD2 LEU 57 -5.765 -3.274 -7.744 411 HD22 LEU 57 2HD2 LEU 57 -4.324 -4.068 -8.379 412 HD23 LEU 57 3HD2 LEU 57 -5.577 -3.501 -9.483 413 H GLN 58 H GLN 58 -1.805 -0.859 -12.271 414 HA GLN 58 HA GLN 58 -3.085 -1.739 -14.569 415 HB2 GLN 58 1HB GLN 58 -0.652 -0.110 -14.026 416 HB3 GLN 58 2HB GLN 58 -0.907 -0.679 -15.670 417 HG2 GLN 58 1HG GLN 58 -3.015 0.805 -14.135 418 HG3 GLN 58 2HG GLN 58 -1.788 1.622 -15.102 419 HE21 GLN 58 1HE2 GLN 58 -1.647 0.947 -17.388 420 HE22 GLN 58 2HE2 GLN 58 -3.116 0.566 -18.214 421 H LEU 59 H LEU 59 0.364 -2.282 -13.823 422 HA LEU 59 HA LEU 59 0.921 -4.101 -15.809 423 HB2 LEU 59 1HB LEU 59 2.027 -4.231 -13.011 424 HB3 LEU 59 2HB LEU 59 2.786 -4.832 -14.484 425 HG LEU 59 HG LEU 59 2.196 -1.912 -14.133 426 HD11 LEU 59 1HD1 LEU 59 4.576 -3.440 -13.102 427 HD12 LEU 59 2HD1 LEU 59 3.458 -2.435 -12.181 428 HD13 LEU 59 3HD1 LEU 59 4.557 -1.693 -13.344 429 HD21 LEU 59 1HD2 LEU 59 3.288 -1.692 -16.059 430 HD22 LEU 59 2HD2 LEU 59 3.190 -3.445 -16.220 431 HD23 LEU 59 3HD2 LEU 59 4.621 -2.703 -15.502 432 H TRP 60 H TRP 60 -0.790 -4.602 -12.814 433 HA TRP 60 HA TRP 60 -0.684 -7.462 -12.895 434 HB2 TRP 60 1HB TRP 60 -1.078 -6.782 -10.740 435 HB3 TRP 60 2HB TRP 60 -2.065 -5.410 -11.240 436 HD1 TRP 60 HD TRP 60 -4.663 -5.768 -11.400 437 HE1 TRP 60 1HE TRP 60 -6.227 -7.700 -10.731 438 HE3 TRP 60 3HE TRP 60 -1.163 -9.413 -10.621 439 HZ2 TRP 60 2HZ TRP 60 -6.006 -10.410 -9.972 440 HZ3 TRP 60 3HZ TRP 60 -1.923 -11.647 -9.925 441 HH2 TRP 60 HH TRP 60 -4.294 -12.133 -9.607 442 H LEU 61 H LEU 61 -3.021 -5.003 -13.883 443 HA LEU 61 HA LEU 61 -5.083 -6.807 -14.602 444 HB2 LEU 61 1HB LEU 61 -4.485 -3.940 -15.083 445 HB3 LEU 61 2HB LEU 61 -5.668 -4.717 -16.133 446 HG LEU 61 HG LEU 61 -5.846 -4.559 -13.125 447 HD11 LEU 61 1HD1 LEU 61 -7.308 -2.792 -13.334 448 HD12 LEU 61 2HD1 LEU 61 -7.673 -3.153 -15.021 449 HD13 LEU 61 3HD1 LEU 61 -6.125 -2.426 -14.590 450 HD21 LEU 61 1HD2 LEU 61 -7.260 -6.108 -15.138 451 HD22 LEU 61 2HD2 LEU 61 -8.340 -5.107 -14.167 452 HD23 LEU 61 3HD2 LEU 61 -7.263 -6.262 -13.381 453 H ASP 62 H ASP 62 -2.119 -6.022 -16.063 454 HA ASP 62 HA ASP 62 -2.986 -6.756 -18.745 455 HB2 ASP 62 1HB ASP 62 -1.408 -4.910 -18.542 456 HB3 ASP 62 2HB ASP 62 -0.273 -5.945 -17.680 457 H ASN 63 H ASN 63 -1.125 -8.045 -16.066 458 HA ASN 63 HA ASN 63 -1.078 -10.645 -17.433 459 HB2 ASN 63 1HB ASN 63 1.180 -9.263 -17.323 460 HB3 ASN 63 2HB ASN 63 1.229 -9.908 -15.685 461 HD21 ASN 63 1HD2 ASN 63 3.107 -11.068 -16.275 462 HD22 ASN 63 2HD2 ASN 63 2.995 -12.531 -17.188 463 HA PRO 64 HA PRO 64 -2.658 -10.668 -12.973 464 HB2 PRO 64 1HB PRO 64 -5.221 -11.365 -13.536 465 HB3 PRO 64 2HB PRO 64 -4.682 -9.685 -13.437 466 HG2 PRO 64 1HG PRO 64 -5.108 -11.398 -15.855 467 HG3 PRO 64 2HG PRO 64 -5.559 -9.703 -15.591 468 HD2 PRO 64 1HD PRO 64 -3.364 -10.424 -17.003 469 HD3 PRO 64 2HD PRO 64 -3.431 -8.937 -16.035 470 H LYS 65 H LYS 65 -2.014 -12.694 -15.482 471 HA LYS 65 HA LYS 65 -3.212 -15.108 -14.467 472 HB2 LYS 65 1HB LYS 65 -1.751 -16.199 -16.214 473 HB3 LYS 65 2HB LYS 65 -2.899 -15.015 -16.823 474 HG2 LYS 65 1HG LYS 65 -1.278 -13.550 -17.439 475 HG3 LYS 65 2HG LYS 65 -0.176 -14.057 -16.157 476 HD2 LYS 65 1HD LYS 65 0.783 -14.788 -18.199 477 HD3 LYS 65 2HD LYS 65 0.108 -16.223 -17.422 478 HE2 LYS 65 1HE LYS 65 -0.524 -16.376 -19.685 479 HE3 LYS 65 2HE LYS 65 -1.966 -15.827 -18.831 480 HZ1 LYS 65 1HZ LYS 65 -2.022 -14.218 -20.348 481 HZ2 LYS 65 2HZ LYS 65 -0.439 -14.507 -20.867 482 HZ3 LYS 65 3HZ LYS 65 -0.721 -13.517 -19.524 483 H ILE 66 H ILE 66 -0.414 -13.301 -13.786 484 HA ILE 66 HA ILE 66 0.661 -15.548 -12.218 485 HB ILE 66 HB ILE 66 2.914 -14.926 -12.694 486 HG12 ILE 66 1HG1 ILE 66 1.882 -12.693 -14.448 487 HG13 ILE 66 2HG1 ILE 66 2.415 -12.449 -12.789 488 HG21 ILE 66 1HG2 ILE 66 2.942 -15.126 -15.228 489 HG22 ILE 66 2HG2 ILE 66 2.096 -16.392 -14.339 490 HG23 ILE 66 3HG2 ILE 66 1.181 -15.115 -15.140 491 HD11 ILE 66 1HD1 ILE 66 4.577 -12.539 -13.346 492 HD12 ILE 66 2HD1 ILE 66 4.335 -13.859 -14.491 493 HD13 ILE 66 3HD1 ILE 66 3.989 -12.198 -14.973 494 H GLN 67 H GLN 67 1.841 -14.940 -10.311 495 HA GLN 67 HA GLN 67 0.611 -12.832 -8.875 496 HB2 GLN 67 1HB GLN 67 1.872 -13.540 -7.022 497 HB3 GLN 67 2HB GLN 67 1.595 -15.006 -7.954 498 HG2 GLN 67 1HG GLN 67 4.117 -13.366 -7.890 499 HG3 GLN 67 2HG GLN 67 3.865 -14.951 -7.160 500 HE21 GLN 67 1HE2 GLN 67 5.142 -13.384 -9.745 501 HE22 GLN 67 2HE2 GLN 67 5.169 -14.680 -10.887 502 H LEU 68 H LEU 68 1.268 -10.798 -8.419 503 HA LEU 68 HA LEU 68 3.587 -9.804 -9.896 504 HB2 LEU 68 1HB LEU 68 1.304 -8.746 -10.081 505 HB3 LEU 68 2HB LEU 68 1.515 -8.197 -8.420 506 HG LEU 68 HG LEU 68 3.535 -6.936 -9.169 507 HD11 LEU 68 1HD1 LEU 68 2.697 -8.105 -11.775 508 HD12 LEU 68 2HD1 LEU 68 4.313 -7.859 -11.114 509 HD13 LEU 68 3HD1 LEU 68 3.403 -6.489 -11.750 510 HD21 LEU 68 1HD2 LEU 68 0.817 -6.315 -9.445 511 HD22 LEU 68 2HD2 LEU 68 1.602 -5.710 -10.904 512 HD23 LEU 68 3HD2 LEU 68 2.171 -5.191 -9.316 513 H THR 69 H THR 69 5.357 -10.258 -8.666 514 HA THR 69 HA THR 69 5.450 -9.952 -5.841 515 HB THR 69 HB THR 69 7.815 -10.373 -6.006 516 HG1 THR 69 1HG THR 69 8.126 -10.581 -8.671 517 HG21 THR 69 1HG2 THR 69 6.408 -11.985 -8.137 518 HG22 THR 69 2HG2 THR 69 6.274 -12.276 -6.403 519 HG23 THR 69 3HG2 THR 69 7.829 -12.470 -7.212 520 H PHE 70 H PHE 70 7.271 -8.540 -4.866 521 HA PHE 70 HA PHE 70 6.576 -5.822 -5.353 522 HB2 PHE 70 1HB PHE 70 7.090 -6.239 -3.121 523 HB3 PHE 70 2HB PHE 70 8.495 -7.220 -3.524 524 HD1 PHE 70 2HD PHE 70 7.220 -3.811 -3.122 525 HD2 PHE 70 1HD PHE 70 10.633 -6.214 -3.948 526 HE1 PHE 70 2HE PHE 70 8.676 -1.861 -2.758 527 HE2 PHE 70 1HE PHE 70 12.095 -4.269 -3.584 528 HZ PHE 70 HZ PHE 70 11.117 -2.089 -2.990 529 H GLU 71 H GLU 71 9.442 -7.788 -6.016 530 HA GLU 71 HA GLU 71 11.140 -5.788 -6.942 531 HB2 GLU 71 1HB GLU 71 10.919 -8.723 -7.368 532 HB3 GLU 71 2HB GLU 71 11.941 -7.822 -8.479 533 HG2 GLU 71 1HG GLU 71 13.020 -6.843 -6.363 534 HG3 GLU 71 2HG GLU 71 12.237 -8.182 -5.524 535 H ALA 72 H ALA 72 9.145 -7.973 -8.939 536 HA ALA 72 HA ALA 72 9.557 -6.898 -11.409 537 HB1 ALA 72 1HB ALA 72 6.883 -7.442 -11.532 538 HB2 ALA 72 2HB ALA 72 8.174 -8.631 -11.711 539 HB3 ALA 72 3HB ALA 72 7.395 -8.404 -10.145 540 H THR 73 H THR 73 6.855 -5.935 -9.281 541 HA THR 73 HA THR 73 5.845 -3.853 -10.747 542 HB THR 73 HB THR 73 6.113 -3.922 -7.735 543 HG1 THR 73 1HG THR 73 4.891 -5.645 -8.144 544 HG21 THR 73 1HG2 THR 73 3.725 -2.668 -8.629 545 HG22 THR 73 2HG2 THR 73 5.081 -1.922 -9.475 546 HG23 THR 73 3HG2 THR 73 5.056 -1.963 -7.712 547 H LEU 74 H LEU 74 8.610 -3.793 -8.545 548 HA LEU 74 HA LEU 74 9.048 -0.998 -8.675 549 HB2 LEU 74 1HB LEU 74 10.009 -2.144 -6.860 550 HB3 LEU 74 2HB LEU 74 10.774 -3.333 -7.912 551 HG LEU 74 HG LEU 74 12.060 -1.157 -8.763 552 HD11 LEU 74 1HD1 LEU 74 12.626 0.172 -6.681 553 HD12 LEU 74 2HD1 LEU 74 11.175 -0.526 -5.962 554 HD13 LEU 74 3HD1 LEU 74 11.047 0.477 -7.406 555 HD21 LEU 74 1HD2 LEU 74 13.626 -1.752 -6.653 556 HD22 LEU 74 2HD2 LEU 74 13.507 -2.753 -8.101 557 HD23 LEU 74 3HD2 LEU 74 12.567 -3.162 -6.665 558 H GLN 75 H GLN 75 10.721 -3.706 -10.284 559 HA GLN 75 HA GLN 75 12.492 -2.280 -11.833 560 HB2 GLN 75 1HB GLN 75 11.000 -4.813 -12.530 561 HB3 GLN 75 2HB GLN 75 12.376 -4.196 -13.435 562 HG2 GLN 75 1HG GLN 75 12.555 -4.778 -10.501 563 HG3 GLN 75 2HG GLN 75 12.800 -6.030 -11.718 564 HE21 GLN 75 1HE2 GLN 75 14.328 -5.223 -13.546 565 HE22 GLN 75 2HE2 GLN 75 15.797 -4.499 -12.993 566 H GLN 76 H GLN 76 9.162 -3.201 -12.679 567 HA GLN 76 HA GLN 76 9.150 -1.969 -15.213 568 HB2 GLN 76 1HB GLN 76 6.843 -2.580 -13.358 569 HB3 GLN 76 2HB GLN 76 6.686 -2.141 -15.053 570 HG2 GLN 76 1HG GLN 76 7.637 -4.151 -15.780 571 HG3 GLN 76 2HG GLN 76 8.291 -4.517 -14.185 572 HE21 GLN 76 1HE2 GLN 76 7.036 -5.537 -12.703 573 HE22 GLN 76 2HE2 GLN 76 5.443 -6.120 -13.028 574 H LEU 77 H LEU 77 8.437 -0.781 -11.989 575 HA LEU 77 HA LEU 77 7.176 1.623 -12.669 576 HB2 LEU 77 1HB LEU 77 8.610 0.563 -10.312 577 HB3 LEU 77 2HB LEU 77 8.445 2.315 -10.409 578 HG LEU 77 HG LEU 77 6.025 0.591 -10.727 579 HD11 LEU 77 1HD1 LEU 77 6.787 -0.362 -8.752 580 HD12 LEU 77 2HD1 LEU 77 5.758 0.956 -8.191 581 HD13 LEU 77 3HD1 LEU 77 7.512 1.144 -8.187 582 HD21 LEU 77 1HD2 LEU 77 5.581 2.862 -9.143 583 HD22 LEU 77 2HD2 LEU 77 5.094 2.604 -10.819 584 HD23 LEU 77 3HD2 LEU 77 6.636 3.382 -10.458 585 H GLU 78 H GLU 78 8.180 3.827 -12.211 586 HA GLU 78 HA GLU 78 10.960 3.993 -13.121 587 HB2 GLU 78 1HB GLU 78 10.366 5.788 -14.712 588 HB3 GLU 78 2HB GLU 78 9.643 4.243 -15.140 589 HG2 GLU 78 1HG GLU 78 7.512 4.953 -14.249 590 HG3 GLU 78 2HG GLU 78 8.220 6.474 -13.707 591 H ALA 79 H ALA 79 12.078 5.270 -11.815 592 HA ALA 79 HA ALA 79 11.201 6.571 -9.603 593 HB1 ALA 79 1HB ALA 79 13.253 7.819 -9.590 594 HB2 ALA 79 2HB ALA 79 13.577 6.203 -10.219 595 HB3 ALA 79 3HB ALA 79 13.464 7.573 -11.324 596 HA PRO 80 HA PRO 80 11.886 8.494 -8.407 597 HB2 PRO 80 1HB PRO 80 10.082 9.805 -6.858 598 HB3 PRO 80 2HB PRO 80 11.382 10.630 -7.727 599 HG2 PRO 80 1HG PRO 80 8.499 10.328 -8.473 600 HG3 PRO 80 2HG PRO 80 9.540 11.759 -8.586 601 HD2 PRO 80 1HD PRO 80 8.969 10.201 -10.726 602 HD3 PRO 80 2HD PRO 80 10.519 11.048 -10.547 603 H TYR 81 H TYR 81 8.876 7.576 -9.671 604 HA TYR 81 HA TYR 81 7.449 6.441 -7.651 605 HB2 TYR 81 1HB TYR 81 7.954 4.969 -10.234 606 HB3 TYR 81 2HB TYR 81 6.499 4.954 -9.244 607 HD1 TYR 81 1HD TYR 81 6.404 7.987 -8.784 608 HD2 TYR 81 2HD TYR 81 6.933 5.628 -12.285 609 HE1 TYR 81 1HE TYR 81 5.458 9.805 -10.144 610 HE2 TYR 81 2HE TYR 81 5.990 7.439 -13.655 611 HH TYR 81 HH TYR 81 4.213 9.870 -12.517 612 H ASN 82 H ASN 82 9.894 4.637 -9.527 613 HA ASN 82 HA ASN 82 9.983 2.501 -7.640 614 HB2 ASN 82 1HB ASN 82 11.438 1.459 -9.104 615 HB3 ASN 82 2HB ASN 82 10.594 2.550 -10.197 616 HD21 ASN 82 1HD2 ASN 82 11.927 3.402 -11.605 617 HD22 ASN 82 2HD2 ASN 82 13.542 3.932 -11.294 618 H SER 83 H SER 83 12.016 5.310 -8.306 619 HA SER 83 HA SER 83 14.283 4.938 -6.952 620 HB2 SER 83 1HB SER 83 13.930 7.101 -7.825 621 HB3 SER 83 2HB SER 83 12.451 7.330 -6.892 622 HG SER 83 HG SER 83 15.074 7.729 -6.169 623 H ASP 84 H ASP 84 11.238 5.835 -5.336 624 HA ASP 84 HA ASP 84 12.399 5.319 -2.730 625 HB2 ASP 84 1HB ASP 84 9.656 6.223 -3.613 626 HB3 ASP 84 2HB ASP 84 10.074 5.921 -1.928 627 H THR 85 H THR 85 12.845 3.068 -2.993 628 HA THR 85 HA THR 85 11.016 1.096 -3.691 629 HB THR 85 HB THR 85 12.424 -0.450 -2.295 630 HG1 THR 85 1HG THR 85 13.549 2.035 -1.563 631 HG21 THR 85 1HG2 THR 85 12.931 0.532 -4.707 632 HG22 THR 85 2HG2 THR 85 14.072 -0.529 -3.881 633 HG23 THR 85 3HG2 THR 85 14.321 1.217 -3.867 634 H VAL 86 H VAL 86 11.846 2.263 -0.425 635 HA VAL 86 HA VAL 86 10.278 0.728 1.157 636 HB VAL 86 HB VAL 86 11.721 2.750 1.809 637 HG11 VAL 86 1HG1 VAL 86 10.610 4.467 0.555 638 HG12 VAL 86 2HG1 VAL 86 9.072 4.114 1.346 639 HG13 VAL 86 3HG1 VAL 86 10.403 4.809 2.272 640 HG21 VAL 86 1HG2 VAL 86 10.522 3.025 3.925 641 HG22 VAL 86 2HG2 VAL 86 9.090 2.283 3.213 642 HG23 VAL 86 3HG2 VAL 86 10.561 1.334 3.425 643 H LEU 87 H LEU 87 9.184 3.411 -0.860 644 HA LEU 87 HA LEU 87 6.500 3.401 0.070 645 HB2 LEU 87 1HB LEU 87 7.842 5.195 -1.264 646 HB3 LEU 87 2HB LEU 87 7.261 4.310 -2.673 647 HG LEU 87 HG LEU 87 4.965 4.772 -2.060 648 HD11 LEU 87 1HD1 LEU 87 4.965 4.743 0.289 649 HD12 LEU 87 2HD1 LEU 87 4.577 6.405 -0.155 650 HD13 LEU 87 3HD1 LEU 87 6.204 5.995 0.388 651 HD21 LEU 87 1HD2 LEU 87 5.956 7.484 -1.703 652 HD22 LEU 87 2HD2 LEU 87 5.034 6.780 -3.032 653 HD23 LEU 87 3HD2 LEU 87 6.790 6.612 -2.989 654 H VAL 88 H VAL 88 8.018 2.098 -2.876 655 HA VAL 88 HA VAL 88 5.758 0.963 -4.026 656 HB VAL 88 HB VAL 88 8.596 -0.067 -4.134 657 HG11 VAL 88 1HG1 VAL 88 6.098 -0.871 -5.513 658 HG12 VAL 88 2HG1 VAL 88 7.578 -0.817 -6.473 659 HG13 VAL 88 3HG1 VAL 88 7.493 -1.839 -5.038 660 HG21 VAL 88 1HG2 VAL 88 8.563 1.146 -6.355 661 HG22 VAL 88 2HG2 VAL 88 7.085 1.932 -5.800 662 HG23 VAL 88 3HG2 VAL 88 8.593 2.165 -4.916 663 H HIS 89 H HIS 89 7.678 -0.113 -1.338 664 HA HIS 89 HA HIS 89 6.639 -2.800 -1.343 665 HB2 HIS 89 1HB HIS 89 8.910 -2.022 -0.419 666 HB3 HIS 89 2HB HIS 89 8.005 -1.457 0.982 667 HD1 HIS 89 1HD HIS 89 6.405 -3.495 2.044 668 HD2 HIS 89 2HD HIS 89 9.787 -4.555 -0.124 669 HE1 HIS 89 1HE HIS 89 6.927 -5.859 2.724 670 HE2 HIS 89 2HE HIS 89 9.026 -6.449 1.464 671 H ARG 90 H ARG 90 5.948 0.227 0.303 672 HA ARG 90 HA ARG 90 4.071 -0.937 2.138 673 HB2 ARG 90 1HB ARG 90 4.616 1.937 1.376 674 HB3 ARG 90 2HB ARG 90 3.506 1.443 2.647 675 HG2 ARG 90 1HG ARG 90 5.198 0.760 4.049 676 HG3 ARG 90 2HG ARG 90 6.334 0.503 2.723 677 HD2 ARG 90 1HD ARG 90 6.829 2.757 2.539 678 HD3 ARG 90 2HD ARG 90 5.325 3.253 3.314 679 HE ARG 90 HE ARG 90 7.165 1.811 5.015 680 HH11 ARG 90 2HH1 ARG 90 6.086 4.916 3.866 681 HH12 ARG 90 1HH1 ARG 90 6.715 5.784 5.227 682 HH21 ARG 90 2HH2 ARG 90 7.997 2.943 6.812 683 HH22 ARG 90 1HH2 ARG 90 7.803 4.661 6.902 684 H VAL 91 H VAL 91 3.926 0.615 -1.000 685 HA VAL 91 HA VAL 91 1.068 0.880 -1.018 686 HB VAL 91 HB VAL 91 3.060 1.037 -3.284 687 HG11 VAL 91 1HG1 VAL 91 0.461 2.368 -3.561 688 HG12 VAL 91 2HG1 VAL 91 1.395 1.440 -4.736 689 HG13 VAL 91 3HG1 VAL 91 0.388 0.606 -3.552 690 HG21 VAL 91 1HG2 VAL 91 2.451 3.520 -3.053 691 HG22 VAL 91 2HG2 VAL 91 1.837 3.083 -1.459 692 HG23 VAL 91 3HG2 VAL 91 3.537 2.822 -1.851 693 H HIS 92 H HIS 92 3.348 -1.198 -2.811 694 HA HIS 92 HA HIS 92 1.510 -2.780 -4.137 695 HB2 HIS 92 1HB HIS 92 4.000 -2.795 -4.460 696 HB3 HIS 92 2HB HIS 92 4.131 -3.762 -2.994 697 HD1 HIS 92 1HD HIS 92 3.072 -6.193 -3.107 698 HD2 HIS 92 2HD HIS 92 3.364 -4.194 -6.738 699 HE1 HIS 92 1HE HIS 92 2.775 -7.959 -4.873 700 HE2 HIS 92 2HE HIS 92 3.041 -6.740 -7.061 701 H SER 93 H SER 93 2.490 -2.860 -0.796 702 HA SER 93 HA SER 93 1.456 -5.449 -0.204 703 HB2 SER 93 1HB SER 93 1.613 -4.635 2.190 704 HB3 SER 93 2HB SER 93 3.116 -4.562 1.271 705 HG SER 93 HG SER 93 2.994 -2.599 2.173 706 H TYR 94 H TYR 94 0.283 -2.252 0.864 707 HA TYR 94 HA TYR 94 -2.122 -2.914 1.910 708 HB2 TYR 94 1HB TYR 94 -1.711 -0.655 2.059 709 HB3 TYR 94 2HB TYR 94 -1.181 -0.530 0.385 710 HD1 TYR 94 2HD TYR 94 -2.913 -0.546 -1.442 711 HD2 TYR 94 1HD TYR 94 -3.944 -0.182 2.670 712 HE1 TYR 94 2HE TYR 94 -5.119 0.336 -2.079 713 HE2 TYR 94 1HE TYR 94 -6.153 0.700 2.044 714 HH TYR 94 HH TYR 94 -6.992 1.326 -1.332 715 H LEU 95 H LEU 95 -1.294 -2.821 -1.492 716 HA LEU 95 HA LEU 95 -3.974 -3.103 -2.444 717 HB2 LEU 95 1HB LEU 95 -1.301 -3.554 -3.754 718 HB3 LEU 95 2HB LEU 95 -2.841 -3.700 -4.599 719 HG LEU 95 HG LEU 95 -2.051 -1.149 -3.227 720 HD11 LEU 95 1HD1 LEU 95 -0.499 -2.244 -5.184 721 HD12 LEU 95 2HD1 LEU 95 -0.653 -0.519 -4.855 722 HD13 LEU 95 3HD1 LEU 95 -1.631 -1.266 -6.118 723 HD21 LEU 95 1HD2 LEU 95 -3.747 -1.540 -5.674 724 HD22 LEU 95 2HD2 LEU 95 -3.686 -0.158 -4.579 725 HD23 LEU 95 3HD2 LEU 95 -4.415 -1.674 -4.047 726 H GLU 96 H GLU 96 -1.227 -5.348 -2.137 727 HA GLU 96 HA GLU 96 -2.701 -7.628 -2.973 728 HB2 GLU 96 1HB GLU 96 -0.296 -7.621 -3.166 729 HB3 GLU 96 2HB GLU 96 -0.114 -7.370 -1.436 730 HG2 GLU 96 1HG GLU 96 -1.235 -9.590 -1.098 731 HG3 GLU 96 2HG GLU 96 -1.108 -9.833 -2.840 732 H ARG 97 H ARG 97 -1.460 -6.732 0.252 733 HA ARG 97 HA ARG 97 -2.548 -8.674 1.796 734 HB2 ARG 97 1HB ARG 97 -2.247 -5.728 2.332 735 HB3 ARG 97 2HB ARG 97 -2.861 -6.826 3.561 736 HG2 ARG 97 1HG ARG 97 -0.734 -8.182 3.159 737 HG3 ARG 97 2HG ARG 97 -0.142 -6.755 2.305 738 HD2 ARG 97 1HD ARG 97 -0.282 -5.418 4.252 739 HD3 ARG 97 2HD ARG 97 -1.228 -6.636 5.107 740 HE ARG 97 HE ARG 97 1.597 -6.481 4.967 741 HH11 ARG 97 2HH1 ARG 97 -1.035 -8.758 5.012 742 HH12 ARG 97 1HH1 ARG 97 -0.093 -10.032 5.712 743 HH21 ARG 97 2HH2 ARG 97 2.849 -8.151 5.888 744 HH22 ARG 97 1HH2 ARG 97 2.116 -9.686 6.211 745 H HIS 98 H HIS 98 -4.234 -5.747 0.698 746 HA HIS 98 HA HIS 98 -6.685 -6.298 1.976 747 HB2 HIS 98 1HB HIS 98 -5.912 -4.570 -0.362 748 HB3 HIS 98 2HB HIS 98 -7.596 -4.736 0.126 749 HD1 HIS 98 1HD HIS 98 -7.838 -2.323 0.915 750 HD2 HIS 98 2HD HIS 98 -4.767 -4.382 2.811 751 HE1 HIS 98 1HE HIS 98 -7.129 -0.858 2.833 752 HE2 HIS 98 2HE HIS 98 -5.213 -2.085 3.913 753 H GLY 99 H GLY 99 -5.488 -7.045 -1.277 754 HA2 GLY 99 1HA GLY 99 -6.152 -9.243 -2.173 755 HA3 GLY 99 2HA GLY 99 -7.767 -8.905 -1.567 756 H LEU 100 H LEU 100 -5.706 -6.575 -3.207 757 HA LEU 100 HA LEU 100 -7.737 -6.376 -5.314 758 HB2 LEU 100 1HB LEU 100 -5.501 -4.429 -4.886 759 HB3 LEU 100 2HB LEU 100 -7.060 -4.169 -5.666 760 HG LEU 100 HG LEU 100 -6.336 -4.102 -2.784 761 HD11 LEU 100 1HD1 LEU 100 -8.118 -2.290 -2.915 762 HD12 LEU 100 2HD1 LEU 100 -8.052 -2.510 -4.663 763 HD13 LEU 100 3HD1 LEU 100 -6.611 -1.999 -3.785 764 HD21 LEU 100 1HD2 LEU 100 -7.960 -5.584 -2.301 765 HD22 LEU 100 2HD2 LEU 100 -8.731 -5.416 -3.879 766 HD23 LEU 100 3HD2 LEU 100 -9.030 -4.218 -2.619 767 H ILE 101 H ILE 101 -4.642 -7.586 -4.742 768 HA ILE 101 HA ILE 101 -4.241 -7.978 -7.616 769 HB ILE 101 HB ILE 101 -1.852 -7.492 -7.454 770 HG12 ILE 101 1HG1 ILE 101 -2.326 -6.282 -4.742 771 HG13 ILE 101 2HG1 ILE 101 -1.859 -7.971 -4.908 772 HG21 ILE 101 1HG2 ILE 101 -2.123 -4.964 -6.910 773 HG22 ILE 101 2HG2 ILE 101 -2.989 -5.660 -8.278 774 HG23 ILE 101 3HG2 ILE 101 -3.833 -5.367 -6.758 775 HD11 ILE 101 1HD1 ILE 101 -0.108 -6.399 -6.495 776 HD12 ILE 101 2HD1 ILE 101 -0.208 -5.687 -4.885 777 HD13 ILE 101 3HD1 ILE 101 0.258 -7.377 -5.074 778 H ASN 102 H ASN 102 -3.244 -9.893 -8.169 779 HA ASN 102 HA ASN 102 -2.544 -12.048 -7.961 780 HB2 ASN 102 1HB ASN 102 -1.647 -11.238 -5.187 781 HB3 ASN 102 2HB ASN 102 -1.100 -12.642 -6.100 782 HD21 ASN 102 1HD2 ASN 102 1.005 -11.641 -5.595 783 HD22 ASN 102 2HD2 ASN 102 1.622 -10.455 -6.690 784 H PHE 103 H PHE 103 -5.144 -11.866 -7.712 785 HA PHE 103 HA PHE 103 -5.826 -13.536 -5.382 786 HB2 PHE 103 1HB PHE 103 -8.180 -12.609 -5.718 787 HB3 PHE 103 2HB PHE 103 -6.982 -11.495 -5.066 788 HD1 PHE 103 1HD PHE 103 -8.044 -12.605 -8.472 789 HD2 PHE 103 2HD PHE 103 -7.183 -9.361 -5.854 790 HE1 PHE 103 1HE PHE 103 -8.543 -11.015 -10.283 791 HE2 PHE 103 2HE PHE 103 -7.682 -7.766 -7.660 792 HZ PHE 103 HZ PHE 103 -8.364 -8.593 -9.878 793 H GLY 104 H GLY 104 -4.919 -14.230 -8.156 794 HA2 GLY 104 1HA GLY 104 -6.557 -16.472 -8.566 795 HA3 GLY 104 2HA GLY 104 -7.065 -15.213 -9.682 796 H ILE 105 H ILE 105 -3.929 -16.443 -8.506 797 HA ILE 105 HA ILE 105 -3.170 -16.939 -11.299 798 HB ILE 105 HB ILE 105 -0.935 -16.033 -10.910 799 HG12 ILE 105 1HG1 ILE 105 -0.968 -16.417 -8.423 800 HG13 ILE 105 2HG1 ILE 105 -0.343 -14.846 -8.912 801 HG21 ILE 105 1HG2 ILE 105 -3.348 -14.529 -11.089 802 HG22 ILE 105 2HG2 ILE 105 -2.169 -13.607 -10.158 803 HG23 ILE 105 3HG2 ILE 105 -1.765 -14.170 -11.779 804 HD11 ILE 105 1HD1 ILE 105 -2.551 -15.483 -7.195 805 HD12 ILE 105 2HD1 ILE 105 -1.766 -13.931 -7.490 806 HD13 ILE 105 3HD1 ILE 105 -3.079 -14.467 -8.537 807 H TYR 106 H TYR 106 -2.623 -17.567 -7.882 808 HA TYR 106 HA TYR 106 -1.258 -20.074 -8.615 809 HB2 TYR 106 1HB TYR 106 -0.545 -19.858 -6.068 810 HB3 TYR 106 2HB TYR 106 0.349 -19.039 -7.344 811 HD1 TYR 106 1HD TYR 106 -2.623 -18.396 -5.162 812 HD2 TYR 106 2HD TYR 106 0.902 -16.837 -6.965 813 HE1 TYR 106 1HE TYR 106 -3.010 -16.241 -4.042 814 HE2 TYR 106 2HE TYR 106 0.526 -14.679 -5.848 815 HH TYR 106 HH TYR 106 -0.775 -13.961 -3.620 816 H LYS 107 H LYS 107 -1.487 -21.729 -6.718 817 HA LYS 107 HA LYS 107 -4.069 -22.678 -6.663 818 HB2 LYS 107 1HB LYS 107 -1.668 -23.152 -4.951 819 HB3 LYS 107 2HB LYS 107 -3.210 -23.829 -4.443 820 HG2 LYS 107 1HG LYS 107 -2.162 -24.282 -7.211 821 HG3 LYS 107 2HG LYS 107 -1.635 -25.280 -5.854 822 HD2 LYS 107 1HD LYS 107 -3.682 -26.267 -5.607 823 HD3 LYS 107 2HD LYS 107 -4.555 -24.860 -6.220 824 HE2 LYS 107 1HE LYS 107 -3.393 -25.476 -8.472 825 HE3 LYS 107 2HE LYS 107 -3.197 -27.060 -7.723 826 HZ1 LYS 107 1HZ LYS 107 -5.638 -25.701 -8.588 827 HZ2 LYS 107 2HZ LYS 107 -5.740 -26.699 -7.227 828 HZ3 LYS 107 3HZ LYS 107 -5.212 -27.335 -8.703 829 H ARG 108 H ARG 108 -2.624 -20.228 -4.686 830 HA ARG 108 HA ARG 108 -4.712 -20.283 -2.688 831 HB2 ARG 108 1HB ARG 108 -2.535 -19.648 -1.928 832 HB3 ARG 108 2HB ARG 108 -2.388 -18.425 -3.182 833 HG2 ARG 108 1HG ARG 108 -2.891 -17.115 -1.387 834 HG3 ARG 108 2HG ARG 108 -4.513 -17.425 -2.010 835 HD2 ARG 108 1HD ARG 108 -4.462 -17.721 0.398 836 HD3 ARG 108 2HD ARG 108 -4.765 -19.262 -0.403 837 HE ARG 108 HE ARG 108 -2.043 -19.144 -0.031 838 HH11 ARG 108 2HH1 ARG 108 -4.871 -19.039 1.997 839 HH12 ARG 108 1HH1 ARG 108 -4.080 -19.758 3.360 840 HH21 ARG 108 2HH2 ARG 108 -0.991 -20.092 1.757 841 HH22 ARG 108 1HH2 ARG 108 -1.873 -20.356 3.222 842 H ILE 109 H ILE 109 -6.674 -19.704 -3.423 843 HA ILE 109 HA ILE 109 -6.944 -17.012 -4.545 844 HB ILE 109 HB ILE 109 -8.366 -19.416 -5.695 845 HG12 ILE 109 1HG1 ILE 109 -6.258 -17.682 -6.995 846 HG13 ILE 109 2HG1 ILE 109 -5.917 -19.242 -6.254 847 HG21 ILE 109 1HG2 ILE 109 -8.363 -16.857 -7.136 848 HG22 ILE 109 2HG2 ILE 109 -9.663 -18.021 -6.887 849 HG23 ILE 109 3HG2 ILE 109 -9.265 -16.861 -5.620 850 HD11 ILE 109 1HD1 ILE 109 -6.112 -19.600 -8.580 851 HD12 ILE 109 2HD1 ILE 109 -7.583 -20.238 -7.844 852 HD13 ILE 109 3HD1 ILE 109 -7.613 -18.678 -8.666 853 H LYS 110 H LYS 110 -8.173 -15.956 -3.142 854 HA LYS 110 HA LYS 110 -10.177 -17.381 -1.578 855 HB2 LYS 110 1HB LYS 110 -10.227 -15.499 -0.149 856 HB3 LYS 110 2HB LYS 110 -8.535 -15.714 -0.579 857 HG2 LYS 110 1HG LYS 110 -9.152 -13.998 -2.480 858 HG3 LYS 110 2HG LYS 110 -10.434 -13.563 -1.348 859 HD2 LYS 110 1HD LYS 110 -8.868 -13.005 0.346 860 HD3 LYS 110 2HD LYS 110 -7.536 -13.737 -0.550 861 HE2 LYS 110 1HE LYS 110 -8.286 -11.958 -2.369 862 HE3 LYS 110 2HE LYS 110 -8.888 -11.120 -0.939 863 HZ1 LYS 110 1HZ LYS 110 -6.826 -10.366 -0.708 864 HZ2 LYS 110 2HZ LYS 110 -6.201 -11.442 -1.854 865 HZ3 LYS 110 3HZ LYS 110 -6.375 -11.930 -0.244 866 HA PRO 111 HA PRO 111 -13.651 -16.057 -3.916 867 HB2 PRO 111 1HB PRO 111 -15.522 -15.826 -1.964 868 HB3 PRO 111 2HB PRO 111 -14.925 -17.386 -2.541 869 HG2 PRO 111 1HG PRO 111 -14.137 -15.841 -0.101 870 HG3 PRO 111 2HG PRO 111 -14.440 -17.579 -0.275 871 HD2 PRO 111 1HD PRO 111 -11.942 -16.534 -0.222 872 HD3 PRO 111 2HD PRO 111 -12.351 -17.982 -1.164 873 H LEU 112 H LEU 112 -15.463 -14.353 -3.860 874 HA LEU 112 HA LEU 112 -15.134 -11.976 -2.371 875 HB2 LEU 112 1HB LEU 112 -14.447 -10.548 -4.354 876 HB3 LEU 112 2HB LEU 112 -13.188 -11.503 -3.574 877 HG LEU 112 HG LEU 112 -13.577 -13.211 -5.437 878 HD11 LEU 112 1HD1 LEU 112 -14.421 -11.178 -7.304 879 HD12 LEU 112 2HD1 LEU 112 -15.650 -11.472 -6.075 880 HD13 LEU 112 3HD1 LEU 112 -15.045 -12.809 -7.053 881 HD21 LEU 112 1HD2 LEU 112 -11.599 -12.329 -5.946 882 HD22 LEU 112 2HD2 LEU 112 -12.089 -10.730 -5.386 883 HD23 LEU 112 3HD2 LEU 112 -12.456 -11.238 -7.035 884 HA PRO 113 HA PRO 113 -19.176 -11.270 -3.931 885 HB2 PRO 113 1HB PRO 113 -19.340 -8.563 -3.806 886 HB3 PRO 113 2HB PRO 113 -19.363 -9.594 -2.371 887 HG2 PRO 113 1HG PRO 113 -17.089 -8.053 -3.560 888 HG3 PRO 113 2HG PRO 113 -17.555 -8.225 -1.857 889 HD2 PRO 113 1HD PRO 113 -15.537 -9.649 -2.966 890 HD3 PRO 113 2HD PRO 113 -16.555 -10.293 -1.662 891 H THR 114 H THR 114 -20.379 -9.686 -5.506 892 HA THR 114 HA THR 114 -18.886 -9.761 -8.023 893 HB THR 114 HB THR 114 -21.111 -9.423 -9.096 894 HG1 THR 114 1HG THR 114 -22.835 -10.012 -7.334 895 HG21 THR 114 1HG2 THR 114 -21.564 -11.729 -7.301 896 HG22 THR 114 2HG2 THR 114 -20.034 -11.709 -8.178 897 HG23 THR 114 3HG2 THR 114 -21.558 -11.647 -9.062 898 H LYS 115 H LYS 115 -19.249 -7.981 -9.582 899 HA LYS 115 HA LYS 115 -18.745 -5.452 -8.313 900 HB2 LYS 115 1HB LYS 115 -17.646 -6.322 -10.444 901 HB3 LYS 115 2HB LYS 115 -19.151 -5.929 -11.263 902 HG2 LYS 115 1HG LYS 115 -18.900 -3.611 -10.778 903 HG3 LYS 115 2HG LYS 115 -17.534 -3.928 -9.705 904 HD2 LYS 115 1HD LYS 115 -16.614 -3.140 -11.741 905 HD3 LYS 115 2HD LYS 115 -16.337 -4.883 -11.714 906 HE2 LYS 115 1HE LYS 115 -18.296 -5.212 -13.146 907 HE3 LYS 115 2HE LYS 115 -18.571 -3.470 -13.171 908 HZ1 LYS 115 1HZ LYS 115 -16.148 -3.421 -14.053 909 HZ2 LYS 115 2HZ LYS 115 -17.415 -3.796 -15.109 910 HZ3 LYS 115 3HZ LYS 115 -16.449 -5.031 -14.475 911 H LYS 116 H LYS 116 -19.957 -3.542 -8.552 912 HA LYS 116 HA LYS 116 -22.765 -3.882 -8.381 913 HB2 LYS 116 1HB LYS 116 -21.431 -2.077 -7.251 914 HB3 LYS 116 2HB LYS 116 -21.261 -1.298 -8.819 915 HG2 LYS 116 1HG LYS 116 -23.047 -0.157 -7.976 916 HG3 LYS 116 2HG LYS 116 -23.878 -1.458 -8.831 917 HD2 LYS 116 1HD LYS 116 -24.945 -1.466 -6.778 918 HD3 LYS 116 2HD LYS 116 -23.708 -2.706 -6.555 919 HE2 LYS 116 1HE LYS 116 -23.123 0.134 -5.828 920 HE3 LYS 116 2HE LYS 116 -24.070 -0.873 -4.734 921 HZ1 LYS 116 1HZ LYS 116 -22.099 -1.522 -3.959 922 HZ2 LYS 116 2HZ LYS 116 -21.252 -0.930 -5.298 923 HZ3 LYS 116 3HZ LYS 116 -21.972 -2.460 -5.361 924 H THR 117 H THR 117 -23.378 -4.890 -10.335 925 HA THR 117 HA THR 117 -22.964 -3.511 -12.844 926 HB THR 117 HB THR 117 -24.614 -5.973 -12.239 927 HG1 THR 117 1HG THR 117 -21.916 -5.537 -12.763 928 HG21 THR 117 1HG2 THR 117 -25.360 -4.883 -14.281 929 HG22 THR 117 2HG2 THR 117 -24.484 -6.363 -14.673 930 HG23 THR 117 3HG2 THR 117 -23.699 -4.795 -14.866 931 H GLY 118 H GLY 118 -24.094 -1.643 -12.991 932 HA2 GLY 118 1HA GLY 118 -26.905 -1.772 -13.407 933 HA3 GLY 118 2HA GLY 118 -26.545 -1.035 -11.852 934 H SER 119 H SER 119 -27.076 1.049 -12.204 935 HA SER 119 HA SER 119 -26.445 2.413 -14.642 936 HB2 SER 119 1HB SER 119 -28.375 2.871 -12.940 937 HB3 SER 119 2HB SER 119 -27.164 3.837 -12.097 938 HG SER 119 HG SER 119 -27.344 5.314 -13.578 939 H GLY 120 H GLY 120 -25.258 4.566 -14.544 940 HA2 GLY 120 1HA GLY 120 -22.761 4.169 -13.019 941 HA3 GLY 120 2HA GLY 120 -22.851 4.953 -14.589 942 HA PRO 121 HA PRO 121 -23.475 7.913 -10.828 943 HB2 PRO 121 1HB PRO 121 -20.912 8.514 -10.164 944 HB3 PRO 121 2HB PRO 121 -21.825 7.212 -9.391 945 HG2 PRO 121 1HG PRO 121 -19.796 7.058 -11.587 946 HG3 PRO 121 2HG PRO 121 -19.989 6.015 -10.166 947 HD2 PRO 121 1HD PRO 121 -20.873 5.306 -12.626 948 HD3 PRO 121 2HD PRO 121 -21.692 4.799 -11.134 949 H SER 122 H SER 122 -20.703 7.989 -13.073 950 HA SER 122 HA SER 122 -21.006 10.834 -13.485 951 HB2 SER 122 1HB SER 122 -19.094 8.742 -14.476 952 HB3 SER 122 2HB SER 122 -19.165 10.317 -15.265 953 HG SER 122 HG SER 122 -19.001 11.058 -12.902 954 H SER 123 H SER 123 -21.975 11.830 -15.155 955 HA SER 123 HA SER 123 -23.712 10.311 -16.846 956 HB2 SER 123 1HB SER 123 -24.401 12.503 -16.021 957 HB3 SER 123 2HB SER 123 -23.042 13.264 -16.848 958 HG SER 123 HG SER 123 -25.183 13.280 -17.933 959 H GLY 124 H GLY 124 -20.966 12.490 -17.520 960 HA2 GLY 124 1HA GLY 124 -19.841 10.809 -19.490 961 HA3 GLY 124 2HA GLY 124 -20.832 12.030 -20.274 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -18.499 -16.959 -26.296 2 HA2 GLY 1 1HA GLY 1 -16.801 -18.586 -26.390 3 HA3 GLY 1 2HA GLY 1 -15.799 -17.457 -27.289 4 H SER 2 H SER 2 -17.166 -18.042 -24.066 5 HA SER 2 HA SER 2 -15.795 -16.218 -22.564 6 HB2 SER 2 1HB SER 2 -16.649 -19.039 -21.977 7 HB3 SER 2 2HB SER 2 -15.778 -18.099 -20.766 8 HG SER 2 HG SER 2 -18.355 -18.015 -21.337 9 H SER 3 H SER 3 -13.717 -15.724 -23.008 10 HA SER 3 HA SER 3 -11.690 -17.625 -22.222 11 HB2 SER 3 1HB SER 3 -11.902 -16.635 -25.067 12 HB3 SER 3 2HB SER 3 -10.401 -17.260 -24.386 13 HG SER 3 HG SER 3 -12.238 -18.671 -25.497 14 H GLY 4 H GLY 4 -9.537 -16.637 -22.102 15 HA2 GLY 4 1HA GLY 4 -9.687 -14.004 -21.020 16 HA3 GLY 4 2HA GLY 4 -8.224 -14.952 -21.242 17 H SER 5 H SER 5 -6.796 -14.133 -22.608 18 HA SER 5 HA SER 5 -5.860 -12.973 -24.328 19 HB2 SER 5 1HB SER 5 -7.463 -14.316 -25.704 20 HB3 SER 5 2HB SER 5 -8.622 -12.994 -25.567 21 HG SER 5 HG SER 5 -7.291 -11.701 -26.749 22 H SER 6 H SER 6 -6.671 -11.544 -22.092 23 HA SER 6 HA SER 6 -8.254 -9.299 -22.544 24 HB2 SER 6 1HB SER 6 -7.122 -8.297 -20.635 25 HB3 SER 6 2HB SER 6 -7.410 -10.007 -20.317 26 HG SER 6 HG SER 6 -5.348 -10.057 -19.927 27 H GLY 7 H GLY 7 -7.470 -7.011 -22.671 28 HA2 GLY 7 1HA GLY 7 -5.727 -6.764 -24.973 29 HA3 GLY 7 2HA GLY 7 -6.653 -5.475 -24.218 30 H GLU 8 H GLU 8 -3.623 -6.388 -24.890 31 HA GLU 8 HA GLU 8 -2.484 -5.336 -22.393 32 HB2 GLU 8 1HB GLU 8 -1.468 -7.176 -24.510 33 HB3 GLU 8 2HB GLU 8 -0.305 -6.183 -23.643 34 HG2 GLU 8 1HG GLU 8 -0.359 -8.198 -22.474 35 HG3 GLU 8 2HG GLU 8 -1.346 -7.098 -21.513 36 H GLU 9 H GLU 9 -0.384 -4.064 -22.774 37 HA GLU 9 HA GLU 9 0.579 -2.129 -23.484 38 HB2 GLU 9 1HB GLU 9 -0.275 -3.467 -26.000 39 HB3 GLU 9 2HB GLU 9 0.220 -1.784 -26.108 40 HG2 GLU 9 1HG GLU 9 1.889 -3.982 -24.910 41 HG3 GLU 9 2HG GLU 9 2.042 -3.387 -26.563 42 HA PRO 10 HA PRO 10 -3.782 -0.228 -23.773 43 HB2 PRO 10 1HB PRO 10 -4.127 0.346 -21.143 44 HB3 PRO 10 2HB PRO 10 -4.653 -1.176 -21.870 45 HG2 PRO 10 1HG PRO 10 -2.181 -0.588 -20.288 46 HG3 PRO 10 2HG PRO 10 -3.265 -1.988 -20.191 47 HD2 PRO 10 1HD PRO 10 -0.901 -2.064 -21.509 48 HD3 PRO 10 2HD PRO 10 -2.312 -3.012 -22.023 49 H SER 11 H SER 11 -4.348 2.018 -23.025 50 HA SER 11 HA SER 11 -1.902 3.647 -22.801 51 HB2 SER 11 1HB SER 11 -3.022 3.916 -24.972 52 HB3 SER 11 2HB SER 11 -4.520 4.354 -24.152 53 HG SER 11 HG SER 11 -2.803 6.031 -24.940 54 H GLY 12 H GLY 12 -1.704 4.859 -21.037 55 HA2 GLY 12 1HA GLY 12 -2.416 6.375 -19.386 56 HA3 GLY 12 2HA GLY 12 -4.081 5.923 -19.720 57 H VAL 13 H VAL 13 -2.456 6.107 -17.192 58 HA VAL 13 HA VAL 13 -2.495 3.338 -16.266 59 HB VAL 13 HB VAL 13 -1.622 5.854 -14.839 60 HG11 VAL 13 1HG1 VAL 13 -0.486 4.069 -13.352 61 HG12 VAL 13 2HG1 VAL 13 -2.204 4.402 -13.123 62 HG13 VAL 13 3HG1 VAL 13 -1.694 2.974 -14.024 63 HG21 VAL 13 1HG2 VAL 13 -0.341 4.318 -16.833 64 HG22 VAL 13 2HG2 VAL 13 0.329 5.642 -15.880 65 HG23 VAL 13 3HG2 VAL 13 0.478 3.981 -15.308 66 H GLU 14 H GLU 14 -4.060 6.443 -15.626 67 HA GLU 14 HA GLU 14 -5.524 5.978 -13.397 68 HB2 GLU 14 1HB GLU 14 -6.471 7.290 -15.949 69 HB3 GLU 14 2HB GLU 14 -7.321 7.393 -14.413 70 HG2 GLU 14 1HG GLU 14 -5.754 8.774 -13.476 71 HG3 GLU 14 2HG GLU 14 -4.460 8.200 -14.526 72 H GLY 15 H GLY 15 -6.300 4.816 -16.656 73 HA2 GLY 15 1HA GLY 15 -8.755 3.768 -16.487 74 HA3 GLY 15 2HA GLY 15 -7.438 2.870 -17.227 75 H ALA 16 H ALA 16 -5.899 2.145 -15.114 76 HA ALA 16 HA ALA 16 -7.130 -0.124 -14.126 77 HB1 ALA 16 1HB ALA 16 -5.215 0.562 -12.210 78 HB2 ALA 16 2HB ALA 16 -4.999 -0.481 -13.616 79 HB3 ALA 16 3HB ALA 16 -4.629 1.239 -13.730 80 H ALA 17 H ALA 17 -6.627 2.976 -12.444 81 HA ALA 17 HA ALA 17 -7.818 2.326 -10.023 82 HB1 ALA 17 1HB ALA 17 -8.349 4.848 -9.953 83 HB2 ALA 17 2HB ALA 17 -6.662 4.341 -10.046 84 HB3 ALA 17 3HB ALA 17 -7.491 4.914 -11.493 85 H PHE 18 H PHE 18 -9.257 2.591 -13.078 86 HA PHE 18 HA PHE 18 -11.788 3.599 -12.533 87 HB2 PHE 18 1HB PHE 18 -10.938 3.088 -14.804 88 HB3 PHE 18 2HB PHE 18 -11.094 1.369 -14.456 89 HD1 PHE 18 2HD PHE 18 -12.955 4.501 -14.987 90 HD2 PHE 18 1HD PHE 18 -13.192 0.271 -14.573 91 HE1 PHE 18 2HE PHE 18 -15.285 4.558 -15.775 92 HE2 PHE 18 1HE PHE 18 -15.522 0.321 -15.361 93 HZ PHE 18 HZ PHE 18 -16.572 2.467 -15.962 94 H GLN 19 H GLN 19 -10.770 0.181 -12.545 95 HA GLN 19 HA GLN 19 -13.042 -1.090 -11.823 96 HB2 GLN 19 1HB GLN 19 -11.709 -2.804 -10.803 97 HB3 GLN 19 2HB GLN 19 -10.809 -2.155 -12.167 98 HG2 GLN 19 1HG GLN 19 -9.210 -1.216 -10.851 99 HG3 GLN 19 2HG GLN 19 -10.311 -0.973 -9.496 100 HE21 GLN 19 1HE2 GLN 19 -10.366 -2.437 -7.903 101 HE22 GLN 19 2HE2 GLN 19 -9.470 -3.914 -7.888 102 H SER 20 H SER 20 -11.248 1.135 -9.883 103 HA SER 20 HA SER 20 -12.955 0.522 -7.563 104 HB2 SER 20 1HB SER 20 -10.305 0.533 -7.494 105 HB3 SER 20 2HB SER 20 -10.545 2.271 -7.314 106 HG SER 20 HG SER 20 -12.154 0.711 -5.713 107 H ARG 21 H ARG 21 -13.829 2.291 -6.353 108 HA ARG 21 HA ARG 21 -14.425 4.601 -8.058 109 HB2 ARG 21 1HB ARG 21 -16.155 3.001 -6.782 110 HB3 ARG 21 2HB ARG 21 -15.875 4.173 -5.502 111 HG2 ARG 21 1HG ARG 21 -16.492 5.202 -8.216 112 HG3 ARG 21 2HG ARG 21 -17.800 4.477 -7.278 113 HD2 ARG 21 1HD ARG 21 -17.479 6.031 -5.495 114 HD3 ARG 21 2HD ARG 21 -15.995 6.643 -6.223 115 HE ARG 21 HE ARG 21 -18.709 7.323 -6.955 116 HH11 ARG 21 2HH1 ARG 21 -15.351 7.345 -7.874 117 HH12 ARG 21 1HH1 ARG 21 -15.537 8.635 -9.016 118 HH21 ARG 21 2HH2 ARG 21 -18.967 9.021 -8.456 119 HH22 ARG 21 1HH2 ARG 21 -17.594 9.588 -9.346 120 H LEU 22 H LEU 22 -11.979 4.918 -7.168 121 HA LEU 22 HA LEU 22 -12.245 6.876 -4.990 122 HB2 LEU 22 1HB LEU 22 -10.094 6.232 -4.108 123 HB3 LEU 22 2HB LEU 22 -11.176 4.841 -4.142 124 HG LEU 22 HG LEU 22 -9.932 4.403 -6.445 125 HD11 LEU 22 1HD1 LEU 22 -7.951 5.394 -6.757 126 HD12 LEU 22 2HD1 LEU 22 -7.530 5.314 -5.046 127 HD13 LEU 22 3HD1 LEU 22 -8.560 6.616 -5.640 128 HD21 LEU 22 1HD2 LEU 22 -8.115 3.257 -4.840 129 HD22 LEU 22 2HD2 LEU 22 -9.754 2.637 -5.044 130 HD23 LEU 22 3HD2 LEU 22 -9.358 3.643 -3.649 131 HA PRO 23 HA PRO 23 -10.261 9.718 -7.688 132 HB2 PRO 23 1HB PRO 23 -9.018 11.328 -5.891 133 HB3 PRO 23 2HB PRO 23 -10.767 11.340 -6.142 134 HG2 PRO 23 1HG PRO 23 -9.170 9.985 -4.003 135 HG3 PRO 23 2HG PRO 23 -10.688 10.890 -3.862 136 HD2 PRO 23 1HD PRO 23 -10.604 8.184 -3.903 137 HD3 PRO 23 2HD PRO 23 -11.964 9.107 -4.574 138 H HIS 24 H HIS 24 -8.436 9.723 -8.855 139 HA HIS 24 HA HIS 24 -6.140 8.240 -7.858 140 HB2 HIS 24 1HB HIS 24 -5.305 8.613 -10.241 141 HB3 HIS 24 2HB HIS 24 -6.748 7.619 -10.058 142 HD1 HIS 24 1HD HIS 24 -9.035 8.737 -10.751 143 HD2 HIS 24 2HD HIS 24 -5.633 10.915 -11.722 144 HE1 HIS 24 1HE HIS 24 -9.794 10.463 -12.414 145 HE2 HIS 24 2HE HIS 24 -7.703 11.714 -13.052 146 H ASP 25 H ASP 25 -7.152 11.472 -8.213 147 HA ASP 25 HA ASP 25 -4.485 12.585 -8.393 148 HB2 ASP 25 1HB ASP 25 -6.344 13.732 -9.501 149 HB3 ASP 25 2HB ASP 25 -7.161 13.927 -7.952 150 H ARG 26 H ARG 26 -6.867 11.889 -5.943 151 HA ARG 26 HA ARG 26 -4.972 12.847 -3.905 152 HB2 ARG 26 1HB ARG 26 -6.933 13.458 -2.495 153 HB3 ARG 26 2HB ARG 26 -6.781 14.434 -3.950 154 HG2 ARG 26 1HG ARG 26 -8.669 13.580 -4.892 155 HG3 ARG 26 2HG ARG 26 -8.506 12.025 -4.074 156 HD2 ARG 26 1HD ARG 26 -10.261 12.877 -2.897 157 HD3 ARG 26 2HD ARG 26 -8.932 13.521 -1.933 158 HE ARG 26 HE ARG 26 -9.852 15.246 -4.063 159 HH11 ARG 26 2HH1 ARG 26 -10.147 14.350 -0.712 160 HH12 ARG 26 1HH1 ARG 26 -10.829 15.868 -0.230 161 HH21 ARG 26 2HH2 ARG 26 -10.749 17.250 -3.441 162 HH22 ARG 26 1HH2 ARG 26 -11.171 17.517 -1.784 163 H MET 27 H MET 27 -5.468 11.854 -1.712 164 HA MET 27 HA MET 27 -5.861 8.984 -2.106 165 HB2 MET 27 1HB MET 27 -4.850 10.419 0.353 166 HB3 MET 27 2HB MET 27 -4.761 8.694 0.023 167 HG2 MET 27 1HG MET 27 -3.086 8.950 -1.556 168 HG3 MET 27 2HG MET 27 -3.448 10.656 -1.806 169 HE1 MET 27 1HE MET 27 -1.834 9.018 2.103 170 HE2 MET 27 2HE MET 27 -2.852 8.202 0.916 171 HE3 MET 27 3HE MET 27 -1.100 8.231 0.704 172 H THR 28 H THR 28 -7.155 7.746 -0.627 173 HA THR 28 HA THR 28 -9.500 9.250 0.295 174 HB THR 28 HB THR 28 -10.553 6.929 0.426 175 HG1 THR 28 1HG THR 28 -8.813 5.576 0.322 176 HG21 THR 28 1HG2 THR 28 -10.499 6.806 -2.235 177 HG22 THR 28 2HG2 THR 28 -9.775 8.402 -2.033 178 HG23 THR 28 3HG2 THR 28 -11.376 8.069 -1.372 179 H SER 29 H SER 29 -10.613 8.303 2.255 180 HA SER 29 HA SER 29 -9.340 8.697 4.556 181 HB2 SER 29 1HB SER 29 -11.186 6.322 4.278 182 HB3 SER 29 2HB SER 29 -10.954 7.349 5.693 183 HG SER 29 HG SER 29 -12.538 8.480 4.924 184 H GLN 30 H GLN 30 -9.506 5.447 3.093 185 HA GLN 30 HA GLN 30 -7.814 4.165 4.895 186 HB2 GLN 30 1HB GLN 30 -9.288 3.281 2.880 187 HB3 GLN 30 2HB GLN 30 -7.757 3.367 2.020 188 HG2 GLN 30 1HG GLN 30 -8.420 1.154 3.126 189 HG3 GLN 30 2HG GLN 30 -6.772 1.742 3.341 190 HE21 GLN 30 1HE2 GLN 30 -6.174 2.638 5.347 191 HE22 GLN 30 2HE2 GLN 30 -7.056 2.276 6.788 192 H GLU 31 H GLU 31 -6.872 4.994 1.559 193 HA GLU 31 HA GLU 31 -4.213 4.652 1.647 194 HB2 GLU 31 1HB GLU 31 -5.765 6.894 0.367 195 HB3 GLU 31 2HB GLU 31 -4.032 6.714 0.136 196 HG2 GLU 31 1HG GLU 31 -5.623 5.723 -1.616 197 HG3 GLU 31 2HG GLU 31 -4.260 4.751 -1.064 198 H ALA 32 H ALA 32 -5.850 7.603 2.773 199 HA ALA 32 HA ALA 32 -3.574 8.997 3.600 200 HB1 ALA 32 1HB ALA 32 -6.092 9.297 5.151 201 HB2 ALA 32 2HB ALA 32 -5.005 10.528 4.508 202 HB3 ALA 32 3HB ALA 32 -6.116 9.683 3.430 203 H ALA 33 H ALA 33 -5.572 6.633 5.299 204 HA ALA 33 HA ALA 33 -4.274 6.933 7.816 205 HB1 ALA 33 1HB ALA 33 -5.395 4.724 8.316 206 HB2 ALA 33 2HB ALA 33 -6.464 6.047 7.849 207 HB3 ALA 33 3HB ALA 33 -6.053 4.791 6.681 208 H CYS 34 H CYS 34 -3.975 4.574 5.175 209 HA CYS 34 HA CYS 34 -2.005 2.979 6.406 210 HB2 CYS 34 1HB CYS 34 -3.493 2.616 4.244 211 HB3 CYS 34 2HB CYS 34 -2.073 3.268 3.435 212 HG CYS 34 HG CYS 34 -1.728 0.666 5.599 213 H PHE 35 H PHE 35 -1.807 5.809 4.312 214 HA PHE 35 HA PHE 35 1.083 5.925 4.874 215 HB2 PHE 35 1HB PHE 35 -0.268 6.935 2.365 216 HB3 PHE 35 2HB PHE 35 1.461 6.894 2.691 217 HD1 PHE 35 2HD PHE 35 -1.510 4.739 2.187 218 HD2 PHE 35 1HD PHE 35 2.737 5.015 2.152 219 HE1 PHE 35 2HE PHE 35 -1.376 2.504 1.166 220 HE2 PHE 35 1HE PHE 35 2.878 2.781 1.131 221 HZ PHE 35 HZ PHE 35 0.820 1.522 0.638 222 HA PRO 36 HA PRO 36 -0.795 9.692 6.699 223 HB2 PRO 36 1HB PRO 36 0.985 9.836 8.744 224 HB3 PRO 36 2HB PRO 36 -0.462 8.822 8.800 225 HG2 PRO 36 1HG PRO 36 2.365 8.057 8.178 226 HG3 PRO 36 2HG PRO 36 1.174 7.216 9.188 227 HD2 PRO 36 1HD PRO 36 1.724 6.458 6.647 228 HD3 PRO 36 2HD PRO 36 0.114 6.272 7.372 229 H ASP 37 H ASP 37 2.693 8.991 6.453 230 HA ASP 37 HA ASP 37 3.599 11.625 6.375 231 HB2 ASP 37 1HB ASP 37 4.879 9.320 6.481 232 HB3 ASP 37 2HB ASP 37 4.972 9.536 4.735 233 H ILE 38 H ILE 38 2.497 9.512 3.768 234 HA ILE 38 HA ILE 38 3.176 11.208 1.624 235 HB ILE 38 HB ILE 38 0.899 9.227 1.715 236 HG12 ILE 38 1HG1 ILE 38 3.024 8.190 2.400 237 HG13 ILE 38 2HG1 ILE 38 2.499 7.597 0.828 238 HG21 ILE 38 1HG2 ILE 38 1.254 11.002 -0.199 239 HG22 ILE 38 2HG2 ILE 38 2.475 9.847 -0.730 240 HG23 ILE 38 3HG2 ILE 38 0.794 9.340 -0.567 241 HD11 ILE 38 1HD1 ILE 38 4.493 9.817 1.131 242 HD12 ILE 38 2HD1 ILE 38 4.952 8.115 1.080 243 HD13 ILE 38 3HD1 ILE 38 4.137 8.851 -0.300 244 H ILE 39 H ILE 39 0.017 10.679 3.197 245 HA ILE 39 HA ILE 39 -1.347 12.702 1.806 246 HB ILE 39 HB ILE 39 -2.527 10.944 3.027 247 HG12 ILE 39 1HG1 ILE 39 -4.138 12.491 4.308 248 HG13 ILE 39 2HG1 ILE 39 -3.069 13.800 3.817 249 HG21 ILE 39 1HG2 ILE 39 -1.234 12.235 5.398 250 HG22 ILE 39 2HG2 ILE 39 -2.741 11.336 5.569 251 HG23 ILE 39 3HG2 ILE 39 -1.299 10.529 4.954 252 HD11 ILE 39 1HD1 ILE 39 -5.211 12.805 2.399 253 HD12 ILE 39 2HD1 ILE 39 -3.937 13.854 1.777 254 HD13 ILE 39 3HD1 ILE 39 -3.808 12.106 1.590 255 H SER 40 H SER 40 0.701 12.787 4.625 256 HA SER 40 HA SER 40 -0.010 15.574 5.160 257 HB2 SER 40 1HB SER 40 1.465 13.456 6.686 258 HB3 SER 40 2HB SER 40 1.733 15.155 7.079 259 HG SER 40 HG SER 40 0.043 14.254 8.324 260 H GLY 41 H GLY 41 1.469 14.755 2.755 261 HA2 GLY 41 1HA GLY 41 3.943 16.296 3.247 262 HA3 GLY 41 2HA GLY 41 3.900 14.911 2.166 263 HA PRO 42 HA PRO 42 3.160 18.903 -0.196 264 HB2 PRO 42 1HB PRO 42 5.294 18.658 -1.858 265 HB3 PRO 42 2HB PRO 42 5.384 19.471 -0.291 266 HG2 PRO 42 1HG PRO 42 6.200 16.688 -1.030 267 HG3 PRO 42 2HG PRO 42 7.045 17.868 -0.012 268 HD2 PRO 42 1HD PRO 42 5.588 15.833 1.020 269 HD3 PRO 42 2HD PRO 42 5.737 17.407 1.828 270 H GLN 43 H GLN 43 2.272 19.025 -2.252 271 HA GLN 43 HA GLN 43 0.880 16.978 -3.313 272 HB2 GLN 43 1HB GLN 43 0.732 19.333 -4.069 273 HB3 GLN 43 2HB GLN 43 2.231 19.121 -4.963 274 HG2 GLN 43 1HG GLN 43 1.164 17.412 -6.345 275 HG3 GLN 43 2HG GLN 43 -0.340 17.633 -5.452 276 HE21 GLN 43 1HE2 GLN 43 -1.756 18.748 -6.568 277 HE22 GLN 43 2HE2 GLN 43 -1.418 20.086 -7.608 278 H GLN 44 H GLN 44 4.205 17.828 -4.223 279 HA GLN 44 HA GLN 44 4.667 16.044 -6.249 280 HB2 GLN 44 1HB GLN 44 6.241 17.781 -5.127 281 HB3 GLN 44 2HB GLN 44 6.730 16.437 -4.104 282 HG2 GLN 44 1HG GLN 44 8.303 16.452 -5.811 283 HG3 GLN 44 2HG GLN 44 7.178 15.177 -6.278 284 HE21 GLN 44 1HE2 GLN 44 8.494 15.830 -8.313 285 HE22 GLN 44 2HE2 GLN 44 7.710 16.964 -9.353 286 H THR 45 H THR 45 5.440 15.388 -2.826 287 HA THR 45 HA THR 45 6.067 12.710 -3.079 288 HB THR 45 HB THR 45 4.821 14.192 -0.765 289 HG1 THR 45 1HG THR 45 6.856 14.822 -0.742 290 HG21 THR 45 1HG2 THR 45 6.132 11.861 0.141 291 HG22 THR 45 2HG2 THR 45 5.022 11.362 -1.135 292 HG23 THR 45 3HG2 THR 45 4.419 12.257 0.260 293 H GLN 46 H GLN 46 2.892 14.116 -2.281 294 HA GLN 46 HA GLN 46 1.429 11.791 -2.027 295 HB2 GLN 46 1HB GLN 46 0.655 14.508 -3.071 296 HB3 GLN 46 2HB GLN 46 -0.519 13.212 -2.884 297 HG2 GLN 46 1HG GLN 46 0.005 13.088 -0.498 298 HG3 GLN 46 2HG GLN 46 1.165 14.401 -0.690 299 HE21 GLN 46 1HE2 GLN 46 -0.724 14.768 1.129 300 HE22 GLN 46 2HE2 GLN 46 -1.920 15.891 0.587 301 H LYS 47 H LYS 47 2.027 13.661 -4.992 302 HA LYS 47 HA LYS 47 0.585 12.009 -6.737 303 HB2 LYS 47 1HB LYS 47 2.962 13.807 -7.226 304 HB3 LYS 47 2HB LYS 47 2.064 13.014 -8.514 305 HG2 LYS 47 1HG LYS 47 0.009 14.178 -7.396 306 HG3 LYS 47 2HG LYS 47 1.242 15.249 -6.725 307 HD2 LYS 47 1HD LYS 47 1.137 14.623 -9.659 308 HD3 LYS 47 2HD LYS 47 0.151 15.907 -8.956 309 HE2 LYS 47 1HE LYS 47 2.369 16.738 -7.933 310 HE3 LYS 47 2HE LYS 47 3.137 15.698 -9.132 311 HZ1 LYS 47 1HZ LYS 47 2.944 17.902 -10.008 312 HZ2 LYS 47 2HZ LYS 47 1.288 17.958 -9.669 313 HZ3 LYS 47 3HZ LYS 47 1.873 16.903 -10.854 314 H VAL 48 H VAL 48 3.987 11.937 -5.752 315 HA VAL 48 HA VAL 48 4.948 9.979 -7.447 316 HB VAL 48 HB VAL 48 5.669 10.484 -4.559 317 HG11 VAL 48 1HG1 VAL 48 6.963 8.730 -6.630 318 HG12 VAL 48 2HG1 VAL 48 7.828 9.335 -5.215 319 HG13 VAL 48 3HG1 VAL 48 6.420 8.291 -5.011 320 HG21 VAL 48 1HG2 VAL 48 6.084 12.008 -6.861 321 HG22 VAL 48 2HG2 VAL 48 6.864 12.213 -5.292 322 HG23 VAL 48 3HG2 VAL 48 7.631 11.225 -6.535 323 H PHE 49 H PHE 49 3.237 9.592 -4.370 324 HA PHE 49 HA PHE 49 3.396 6.727 -4.428 325 HB2 PHE 49 1HB PHE 49 3.201 7.429 -2.250 326 HB3 PHE 49 2HB PHE 49 2.139 8.771 -2.665 327 HD1 PHE 49 1HD PHE 49 -0.266 8.345 -3.101 328 HD2 PHE 49 2HD PHE 49 2.337 5.325 -1.611 329 HE1 PHE 49 1HE PHE 49 -2.214 7.029 -2.374 330 HE2 PHE 49 2HE PHE 49 0.394 4.004 -0.883 331 HZ PHE 49 HZ PHE 49 -1.886 4.855 -1.265 332 H LEU 50 H LEU 50 0.881 9.134 -5.094 333 HA LEU 50 HA LEU 50 -1.225 7.362 -5.598 334 HB2 LEU 50 1HB LEU 50 -0.603 10.164 -6.403 335 HB3 LEU 50 2HB LEU 50 -1.959 9.336 -7.165 336 HG LEU 50 HG LEU 50 -1.665 9.730 -4.189 337 HD11 LEU 50 1HD1 LEU 50 -1.928 11.838 -5.588 338 HD12 LEU 50 2HD1 LEU 50 -3.124 11.561 -4.322 339 HD13 LEU 50 3HD1 LEU 50 -3.529 11.227 -6.006 340 HD21 LEU 50 1HD2 LEU 50 -4.021 8.873 -5.867 341 HD22 LEU 50 2HD2 LEU 50 -3.999 9.070 -4.114 342 HD23 LEU 50 3HD2 LEU 50 -3.031 7.804 -4.873 343 H PHE 51 H PHE 51 1.613 7.937 -7.365 344 HA PHE 51 HA PHE 51 0.480 7.072 -9.905 345 HB2 PHE 51 1HB PHE 51 2.122 8.871 -9.967 346 HB3 PHE 51 2HB PHE 51 3.301 7.854 -9.146 347 HD1 PHE 51 1HD PHE 51 3.965 5.663 -10.341 348 HD2 PHE 51 2HD PHE 51 2.072 8.948 -12.275 349 HE1 PHE 51 1HE PHE 51 4.777 4.847 -12.516 350 HE2 PHE 51 2HE PHE 51 2.880 8.136 -14.453 351 HZ PHE 51 HZ PHE 51 4.233 6.083 -14.575 352 H ILE 52 H ILE 52 2.486 5.876 -7.301 353 HA ILE 52 HA ILE 52 3.327 3.505 -8.671 354 HB ILE 52 HB ILE 52 3.368 4.221 -5.739 355 HG12 ILE 52 1HG1 ILE 52 5.807 3.903 -7.425 356 HG13 ILE 52 2HG1 ILE 52 4.843 5.360 -7.638 357 HG21 ILE 52 1HG2 ILE 52 5.239 2.190 -6.350 358 HG22 ILE 52 2HG2 ILE 52 3.844 2.106 -5.275 359 HG23 ILE 52 3HG2 ILE 52 3.673 1.678 -6.977 360 HD11 ILE 52 1HD1 ILE 52 5.671 6.259 -5.793 361 HD12 ILE 52 2HD1 ILE 52 5.309 4.815 -4.847 362 HD13 ILE 52 3HD1 ILE 52 6.820 4.922 -5.749 363 H ARG 53 H ARG 53 0.711 4.355 -6.480 364 HA ARG 53 HA ARG 53 -0.173 1.693 -6.011 365 HB2 ARG 53 1HB ARG 53 -0.764 3.466 -4.469 366 HB3 ARG 53 2HB ARG 53 -1.602 4.343 -5.744 367 HG2 ARG 53 1HG ARG 53 -2.501 1.580 -5.141 368 HG3 ARG 53 2HG ARG 53 -2.890 2.855 -3.984 369 HD2 ARG 53 1HD ARG 53 -3.388 3.489 -6.821 370 HD3 ARG 53 2HD ARG 53 -4.418 2.241 -6.119 371 HE ARG 53 HE ARG 53 -5.307 3.832 -4.642 372 HH11 ARG 53 2HH1 ARG 53 -2.916 5.195 -6.775 373 HH12 ARG 53 1HH1 ARG 53 -3.385 6.834 -6.466 374 HH21 ARG 53 2HH2 ARG 53 -5.933 5.986 -4.226 375 HH22 ARG 53 1HH2 ARG 53 -5.100 7.282 -5.015 376 H ASN 54 H ASN 54 -1.169 4.240 -8.267 377 HA ASN 54 HA ASN 54 -3.287 2.740 -9.429 378 HB2 ASN 54 1HB ASN 54 -1.780 5.205 -10.288 379 HB3 ASN 54 2HB ASN 54 -3.032 4.486 -11.296 380 HD21 ASN 54 1HD2 ASN 54 -3.300 7.040 -10.430 381 HD22 ASN 54 2HD2 ASN 54 -4.558 7.140 -9.250 382 H ARG 55 H ARG 55 0.118 3.197 -10.211 383 HA ARG 55 HA ARG 55 0.030 1.869 -12.723 384 HB2 ARG 55 1HB ARG 55 1.831 3.415 -12.174 385 HB3 ARG 55 2HB ARG 55 2.345 2.381 -10.848 386 HG2 ARG 55 1HG ARG 55 3.830 2.037 -12.676 387 HG3 ARG 55 2HG ARG 55 2.825 0.595 -12.515 388 HD2 ARG 55 1HD ARG 55 1.447 1.279 -14.356 389 HD3 ARG 55 2HD ARG 55 2.259 2.842 -14.442 390 HE ARG 55 HE ARG 55 4.279 1.098 -14.829 391 HH11 ARG 55 2HH1 ARG 55 1.139 1.450 -16.291 392 HH12 ARG 55 1HH1 ARG 55 1.639 0.819 -17.826 393 HH21 ARG 55 2HH2 ARG 55 4.949 0.266 -16.844 394 HH22 ARG 55 1HH2 ARG 55 3.807 0.146 -18.139 395 H THR 56 H THR 56 0.981 0.834 -9.461 396 HA THR 56 HA THR 56 1.886 -1.698 -9.920 397 HB THR 56 HB THR 56 0.095 -0.788 -7.661 398 HG1 THR 56 1HG THR 56 2.373 0.081 -8.136 399 HG21 THR 56 1HG2 THR 56 1.932 -3.167 -7.598 400 HG22 THR 56 2HG2 THR 56 0.241 -3.312 -8.077 401 HG23 THR 56 3HG2 THR 56 0.654 -2.732 -6.464 402 H LEU 57 H LEU 57 -1.464 -0.607 -9.896 403 HA LEU 57 HA LEU 57 -2.589 -3.225 -10.111 404 HB2 LEU 57 1HB LEU 57 -3.604 -0.435 -10.322 405 HB3 LEU 57 2HB LEU 57 -4.593 -1.741 -10.973 406 HG LEU 57 HG LEU 57 -3.611 -1.664 -8.125 407 HD11 LEU 57 1HD1 LEU 57 -6.045 -0.485 -9.395 408 HD12 LEU 57 2HD1 LEU 57 -4.987 0.190 -8.156 409 HD13 LEU 57 3HD1 LEU 57 -6.115 -1.102 -7.744 410 HD21 LEU 57 1HD2 LEU 57 -6.009 -3.139 -9.100 411 HD22 LEU 57 2HD2 LEU 57 -4.938 -3.496 -7.745 412 HD23 LEU 57 3HD2 LEU 57 -4.408 -3.816 -9.397 413 H GLN 58 H GLN 58 -1.903 -0.616 -12.413 414 HA GLN 58 HA GLN 58 -3.031 -1.543 -14.706 415 HB2 GLN 58 1HB GLN 58 -0.500 -0.066 -14.152 416 HB3 GLN 58 2HB GLN 58 -0.783 -0.645 -15.788 417 HG2 GLN 58 1HG GLN 58 -2.595 1.173 -14.216 418 HG3 GLN 58 2HG GLN 58 -1.517 1.653 -15.525 419 HE21 GLN 58 1HE2 GLN 58 -2.222 1.529 -17.563 420 HE22 GLN 58 2HE2 GLN 58 -3.738 0.856 -18.048 421 H LEU 59 H LEU 59 0.216 -2.446 -13.545 422 HA LEU 59 HA LEU 59 0.747 -4.323 -15.565 423 HB2 LEU 59 1HB LEU 59 1.795 -4.379 -12.742 424 HB3 LEU 59 2HB LEU 59 2.537 -5.103 -14.168 425 HG LEU 59 HG LEU 59 2.153 -2.133 -13.889 426 HD11 LEU 59 1HD1 LEU 59 3.805 -3.722 -12.276 427 HD12 LEU 59 2HD1 LEU 59 3.837 -1.968 -12.458 428 HD13 LEU 59 3HD1 LEU 59 4.861 -2.980 -13.478 429 HD21 LEU 59 1HD2 LEU 59 3.306 -1.957 -15.810 430 HD22 LEU 59 2HD2 LEU 59 2.794 -3.626 -16.059 431 HD23 LEU 59 3HD2 LEU 59 4.395 -3.283 -15.400 432 H TRP 60 H TRP 60 -0.942 -4.585 -12.506 433 HA TRP 60 HA TRP 60 -1.053 -7.427 -12.445 434 HB2 TRP 60 1HB TRP 60 -1.450 -6.548 -10.353 435 HB3 TRP 60 2HB TRP 60 -2.398 -5.203 -10.980 436 HD1 TRP 60 HD TRP 60 -4.948 -5.411 -10.746 437 HE1 TRP 60 1HE TRP 60 -6.583 -7.302 -10.133 438 HE3 TRP 60 3HE TRP 60 -1.657 -9.321 -10.625 439 HZ2 TRP 60 2HZ TRP 60 -6.490 -10.083 -9.660 440 HZ3 TRP 60 3HZ TRP 60 -2.511 -11.565 -10.083 441 HH2 TRP 60 HH TRP 60 -4.878 -11.935 -9.611 442 H LEU 61 H LEU 61 -3.122 -4.916 -13.777 443 HA LEU 61 HA LEU 61 -5.278 -6.678 -14.430 444 HB2 LEU 61 1HB LEU 61 -4.579 -3.845 -14.961 445 HB3 LEU 61 2HB LEU 61 -5.734 -4.612 -16.049 446 HG LEU 61 HG LEU 61 -6.039 -4.339 -13.058 447 HD11 LEU 61 1HD1 LEU 61 -6.246 -2.224 -14.340 448 HD12 LEU 61 2HD1 LEU 61 -7.738 -2.717 -13.541 449 HD13 LEU 61 3HD1 LEU 61 -7.545 -2.963 -15.277 450 HD21 LEU 61 1HD2 LEU 61 -8.483 -4.939 -14.263 451 HD22 LEU 61 2HD2 LEU 61 -7.511 -5.993 -13.236 452 HD23 LEU 61 3HD2 LEU 61 -7.322 -6.050 -14.989 453 H ASP 62 H ASP 62 -2.265 -5.930 -15.862 454 HA ASP 62 HA ASP 62 -3.108 -6.942 -18.479 455 HB2 ASP 62 1HB ASP 62 -0.729 -5.396 -17.509 456 HB3 ASP 62 2HB ASP 62 -0.623 -6.312 -19.010 457 H ASN 63 H ASN 63 -1.299 -7.805 -15.660 458 HA ASN 63 HA ASN 63 -0.638 -10.381 -16.917 459 HB2 ASN 63 1HB ASN 63 1.431 -9.128 -16.779 460 HB3 ASN 63 2HB ASN 63 1.131 -8.748 -15.086 461 HD21 ASN 63 1HD2 ASN 63 0.245 -11.870 -16.170 462 HD22 ASN 63 2HD2 ASN 63 1.566 -12.735 -15.468 463 HA PRO 64 HA PRO 64 -2.826 -10.565 -12.681 464 HB2 PRO 64 1HB PRO 64 -5.302 -11.270 -13.543 465 HB3 PRO 64 2HB PRO 64 -4.810 -9.589 -13.305 466 HG2 PRO 64 1HG PRO 64 -4.948 -11.182 -15.836 467 HG3 PRO 64 2HG PRO 64 -5.457 -9.509 -15.537 468 HD2 PRO 64 1HD PRO 64 -3.113 -10.125 -16.745 469 HD3 PRO 64 2HD PRO 64 -3.310 -8.691 -15.718 470 H LYS 65 H LYS 65 -1.932 -12.453 -15.240 471 HA LYS 65 HA LYS 65 -3.152 -14.932 -14.413 472 HB2 LYS 65 1HB LYS 65 -1.600 -15.920 -16.133 473 HB3 LYS 65 2HB LYS 65 -2.717 -14.708 -16.745 474 HG2 LYS 65 1HG LYS 65 -1.063 -13.178 -17.138 475 HG3 LYS 65 2HG LYS 65 -0.003 -13.840 -15.891 476 HD2 LYS 65 1HD LYS 65 0.274 -15.868 -17.356 477 HD3 LYS 65 2HD LYS 65 -0.574 -14.978 -18.623 478 HE2 LYS 65 1HE LYS 65 1.131 -13.261 -18.603 479 HE3 LYS 65 2HE LYS 65 1.949 -14.050 -17.255 480 HZ1 LYS 65 1HZ LYS 65 2.466 -15.910 -18.640 481 HZ2 LYS 65 2HZ LYS 65 2.970 -14.507 -19.438 482 HZ3 LYS 65 3HZ LYS 65 1.551 -15.291 -19.922 483 H ILE 66 H ILE 66 -0.238 -13.185 -13.755 484 HA ILE 66 HA ILE 66 0.663 -15.407 -12.047 485 HB ILE 66 HB ILE 66 2.878 -15.196 -12.656 486 HG12 ILE 66 1HG1 ILE 66 2.191 -12.457 -13.737 487 HG13 ILE 66 2HG1 ILE 66 3.146 -12.822 -12.304 488 HG21 ILE 66 1HG2 ILE 66 0.986 -15.314 -14.765 489 HG22 ILE 66 2HG2 ILE 66 2.391 -14.420 -15.342 490 HG23 ILE 66 3HG2 ILE 66 2.589 -16.044 -14.685 491 HD11 ILE 66 1HD1 ILE 66 3.990 -12.529 -15.016 492 HD12 ILE 66 2HD1 ILE 66 4.961 -12.723 -13.556 493 HD13 ILE 66 3HD1 ILE 66 4.397 -14.144 -14.435 494 H GLN 67 H GLN 67 1.164 -14.886 -9.996 495 HA GLN 67 HA GLN 67 0.303 -12.620 -8.754 496 HB2 GLN 67 1HB GLN 67 1.489 -13.296 -6.844 497 HB3 GLN 67 2HB GLN 67 1.190 -14.790 -7.723 498 HG2 GLN 67 1HG GLN 67 3.761 -13.224 -7.730 499 HG3 GLN 67 2HG GLN 67 3.452 -14.710 -6.833 500 HE21 GLN 67 1HE2 GLN 67 4.643 -13.408 -9.662 501 HE22 GLN 67 2HE2 GLN 67 4.707 -14.849 -10.612 502 H LEU 68 H LEU 68 1.009 -10.587 -8.408 503 HA LEU 68 HA LEU 68 3.343 -9.715 -9.912 504 HB2 LEU 68 1HB LEU 68 1.101 -8.553 -9.986 505 HB3 LEU 68 2HB LEU 68 1.424 -8.011 -8.341 506 HG LEU 68 HG LEU 68 3.446 -6.836 -9.187 507 HD11 LEU 68 1HD1 LEU 68 2.425 -7.911 -11.787 508 HD12 LEU 68 2HD1 LEU 68 4.066 -7.922 -11.143 509 HD13 LEU 68 3HD1 LEU 68 3.359 -6.416 -11.727 510 HD21 LEU 68 1HD2 LEU 68 0.659 -6.187 -9.823 511 HD22 LEU 68 2HD2 LEU 68 1.854 -5.292 -10.762 512 HD23 LEU 68 3HD2 LEU 68 1.890 -5.231 -8.999 513 H THR 69 H THR 69 5.160 -10.202 -8.786 514 HA THR 69 HA THR 69 5.402 -9.955 -5.965 515 HB THR 69 HB THR 69 7.741 -10.429 -6.252 516 HG1 THR 69 1HG THR 69 8.699 -9.564 -7.921 517 HG21 THR 69 1HG2 THR 69 7.654 -12.486 -7.539 518 HG22 THR 69 2HG2 THR 69 6.187 -11.943 -8.354 519 HG23 THR 69 3HG2 THR 69 6.158 -12.291 -6.626 520 H PHE 70 H PHE 70 7.242 -8.589 -5.017 521 HA PHE 70 HA PHE 70 6.608 -5.849 -5.464 522 HB2 PHE 70 1HB PHE 70 7.144 -6.304 -3.244 523 HB3 PHE 70 2HB PHE 70 8.519 -7.314 -3.680 524 HD1 PHE 70 2HD PHE 70 7.341 -3.898 -3.151 525 HD2 PHE 70 1HD PHE 70 10.668 -6.339 -4.197 526 HE1 PHE 70 2HE PHE 70 8.851 -1.990 -2.788 527 HE2 PHE 70 1HE PHE 70 12.183 -4.434 -3.835 528 HZ PHE 70 HZ PHE 70 11.275 -2.256 -3.131 529 H GLU 71 H GLU 71 9.403 -7.884 -6.205 530 HA GLU 71 HA GLU 71 11.138 -5.912 -7.134 531 HB2 GLU 71 1HB GLU 71 10.828 -8.836 -7.690 532 HB3 GLU 71 2HB GLU 71 11.957 -7.894 -8.654 533 HG2 GLU 71 1HG GLU 71 12.075 -7.730 -5.681 534 HG3 GLU 71 2HG GLU 71 12.760 -9.128 -6.508 535 H ALA 72 H ALA 72 9.004 -8.006 -9.083 536 HA ALA 72 HA ALA 72 9.420 -6.940 -11.566 537 HB1 ALA 72 1HB ALA 72 8.006 -8.884 -11.163 538 HB2 ALA 72 2HB ALA 72 6.773 -7.849 -10.440 539 HB3 ALA 72 3HB ALA 72 7.167 -7.687 -12.151 540 H THR 73 H THR 73 6.855 -5.880 -9.319 541 HA THR 73 HA THR 73 5.854 -3.766 -10.770 542 HB THR 73 HB THR 73 6.196 -3.848 -7.766 543 HG1 THR 73 1HG THR 73 4.971 -5.586 -8.231 544 HG21 THR 73 1HG2 THR 73 5.074 -1.923 -7.664 545 HG22 THR 73 2HG2 THR 73 3.817 -2.543 -8.737 546 HG23 THR 73 3HG2 THR 73 5.259 -1.784 -9.412 547 H LEU 74 H LEU 74 8.655 -3.798 -8.606 548 HA LEU 74 HA LEU 74 9.188 -1.024 -8.740 549 HB2 LEU 74 1HB LEU 74 10.171 -2.166 -6.956 550 HB3 LEU 74 2HB LEU 74 10.815 -3.430 -8.002 551 HG LEU 74 HG LEU 74 12.221 -1.382 -8.956 552 HD11 LEU 74 1HD1 LEU 74 12.536 -0.503 -6.222 553 HD12 LEU 74 2HD1 LEU 74 10.911 -0.177 -6.825 554 HD13 LEU 74 3HD1 LEU 74 12.315 0.444 -7.693 555 HD21 LEU 74 1HD2 LEU 74 13.994 -2.391 -7.981 556 HD22 LEU 74 2HD2 LEU 74 12.784 -3.607 -7.570 557 HD23 LEU 74 3HD2 LEU 74 13.254 -2.392 -6.380 558 H GLN 75 H GLN 75 10.727 -3.773 -10.410 559 HA GLN 75 HA GLN 75 12.508 -2.390 -11.990 560 HB2 GLN 75 1HB GLN 75 10.943 -4.901 -12.574 561 HB3 GLN 75 2HB GLN 75 12.212 -4.299 -13.633 562 HG2 GLN 75 1HG GLN 75 13.590 -4.317 -11.373 563 HG3 GLN 75 2HG GLN 75 12.405 -5.553 -10.956 564 HE21 GLN 75 1HE2 GLN 75 15.232 -4.819 -12.692 565 HE22 GLN 75 2HE2 GLN 75 15.445 -6.353 -13.459 566 H GLN 76 H GLN 76 9.133 -3.208 -12.760 567 HA GLN 76 HA GLN 76 9.108 -1.944 -15.285 568 HB2 GLN 76 1HB GLN 76 6.816 -2.546 -13.408 569 HB3 GLN 76 2HB GLN 76 6.647 -2.087 -15.097 570 HG2 GLN 76 1HG GLN 76 7.479 -4.106 -15.865 571 HG3 GLN 76 2HG GLN 76 8.272 -4.475 -14.335 572 HE21 GLN 76 1HE2 GLN 76 6.678 -4.646 -12.452 573 HE22 GLN 76 2HE2 GLN 76 5.250 -5.570 -12.757 574 H LEU 77 H LEU 77 8.359 -0.816 -12.034 575 HA LEU 77 HA LEU 77 7.163 1.622 -12.662 576 HB2 LEU 77 1HB LEU 77 8.587 0.495 -10.331 577 HB3 LEU 77 2HB LEU 77 8.454 2.251 -10.394 578 HG LEU 77 HG LEU 77 6.011 0.554 -10.717 579 HD11 LEU 77 1HD1 LEU 77 6.566 -0.384 -8.726 580 HD12 LEU 77 2HD1 LEU 77 5.853 1.113 -8.125 581 HD13 LEU 77 3HD1 LEU 77 7.606 0.960 -8.252 582 HD21 LEU 77 1HD2 LEU 77 5.148 2.597 -10.892 583 HD22 LEU 77 2HD2 LEU 77 6.661 3.356 -10.395 584 HD23 LEU 77 3HD2 LEU 77 5.508 2.808 -9.178 585 H GLU 78 H GLU 78 8.129 3.805 -12.323 586 HA GLU 78 HA GLU 78 10.929 3.950 -13.199 587 HB2 GLU 78 1HB GLU 78 10.348 5.768 -14.757 588 HB3 GLU 78 2HB GLU 78 9.564 4.254 -15.188 589 HG2 GLU 78 1HG GLU 78 7.485 5.031 -14.191 590 HG3 GLU 78 2HG GLU 78 8.265 6.541 -13.724 591 H ALA 79 H ALA 79 12.080 5.171 -11.870 592 HA ALA 79 HA ALA 79 11.227 6.459 -9.632 593 HB1 ALA 79 1HB ALA 79 13.324 7.922 -9.939 594 HB2 ALA 79 2HB ALA 79 13.528 6.174 -9.812 595 HB3 ALA 79 3HB ALA 79 13.601 6.958 -11.390 596 HA PRO 80 HA PRO 80 12.086 8.381 -8.456 597 HB2 PRO 80 1HB PRO 80 10.405 9.789 -6.855 598 HB3 PRO 80 2HB PRO 80 11.711 10.544 -7.777 599 HG2 PRO 80 1HG PRO 80 8.791 10.377 -8.416 600 HG3 PRO 80 2HG PRO 80 9.895 11.755 -8.579 601 HD2 PRO 80 1HD PRO 80 9.172 10.211 -10.683 602 HD3 PRO 80 2HD PRO 80 10.767 10.982 -10.568 603 H TYR 81 H TYR 81 9.032 7.552 -9.631 604 HA TYR 81 HA TYR 81 7.618 6.512 -7.534 605 HB2 TYR 81 1HB TYR 81 7.953 5.055 -10.157 606 HB3 TYR 81 2HB TYR 81 6.556 5.035 -9.086 607 HD1 TYR 81 1HD TYR 81 6.465 8.029 -8.539 608 HD2 TYR 81 2HD TYR 81 6.892 5.804 -12.140 609 HE1 TYR 81 1HE TYR 81 5.468 9.891 -9.801 610 HE2 TYR 81 2HE TYR 81 5.898 7.660 -13.412 611 HH TYR 81 HH TYR 81 4.416 9.581 -13.009 612 H ASN 82 H ASN 82 9.924 4.620 -9.496 613 HA ASN 82 HA ASN 82 9.981 2.472 -7.614 614 HB2 ASN 82 1HB ASN 82 11.291 1.357 -9.147 615 HB3 ASN 82 2HB ASN 82 10.503 2.523 -10.206 616 HD21 ASN 82 1HD2 ASN 82 11.837 3.375 -11.609 617 HD22 ASN 82 2HD2 ASN 82 13.503 3.748 -11.344 618 H SER 83 H SER 83 12.048 5.233 -8.316 619 HA SER 83 HA SER 83 14.374 4.749 -7.076 620 HB2 SER 83 1HB SER 83 13.875 6.937 -7.997 621 HB3 SER 83 2HB SER 83 12.683 7.236 -6.732 622 HG SER 83 HG SER 83 14.541 6.938 -5.248 623 H ASP 84 H ASP 84 11.460 5.814 -5.321 624 HA ASP 84 HA ASP 84 12.697 5.219 -2.773 625 HB2 ASP 84 1HB ASP 84 10.011 6.315 -3.583 626 HB3 ASP 84 2HB ASP 84 10.369 5.880 -1.914 627 H THR 85 H THR 85 13.029 2.958 -3.007 628 HA THR 85 HA THR 85 11.138 1.049 -3.669 629 HB THR 85 HB THR 85 12.464 -0.528 -2.238 630 HG1 THR 85 1HG THR 85 13.816 0.261 -0.812 631 HG21 THR 85 1HG2 THR 85 14.734 0.290 -3.494 632 HG22 THR 85 2HG2 THR 85 13.501 1.137 -4.428 633 HG23 THR 85 3HG2 THR 85 13.437 -0.618 -4.269 634 H VAL 86 H VAL 86 11.882 2.390 -0.461 635 HA VAL 86 HA VAL 86 10.275 0.905 1.160 636 HB VAL 86 HB VAL 86 11.739 2.917 1.773 637 HG11 VAL 86 1HG1 VAL 86 9.174 4.461 1.594 638 HG12 VAL 86 2HG1 VAL 86 10.816 5.061 1.835 639 HG13 VAL 86 3HG1 VAL 86 10.327 4.436 0.260 640 HG21 VAL 86 1HG2 VAL 86 9.059 2.513 3.097 641 HG22 VAL 86 2HG2 VAL 86 10.549 1.633 3.440 642 HG23 VAL 86 3HG2 VAL 86 10.430 3.350 3.826 643 H LEU 87 H LEU 87 9.275 3.495 -1.014 644 HA LEU 87 HA LEU 87 6.552 3.509 -0.135 645 HB2 LEU 87 1HB LEU 87 7.906 5.358 -1.338 646 HB3 LEU 87 2HB LEU 87 7.465 4.496 -2.811 647 HG LEU 87 HG LEU 87 5.082 4.829 -2.254 648 HD11 LEU 87 1HD1 LEU 87 5.201 4.989 0.140 649 HD12 LEU 87 2HD1 LEU 87 4.521 6.485 -0.500 650 HD13 LEU 87 3HD1 LEU 87 6.201 6.438 0.035 651 HD21 LEU 87 1HD2 LEU 87 6.891 6.651 -3.288 652 HD22 LEU 87 2HD2 LEU 87 5.954 7.591 -2.127 653 HD23 LEU 87 3HD2 LEU 87 5.135 6.722 -3.426 654 H VAL 88 H VAL 88 8.314 2.041 -2.824 655 HA VAL 88 HA VAL 88 6.057 0.995 -4.167 656 HB VAL 88 HB VAL 88 8.915 0.014 -4.189 657 HG11 VAL 88 1HG1 VAL 88 8.206 -1.685 -5.429 658 HG12 VAL 88 2HG1 VAL 88 6.543 -1.105 -5.323 659 HG13 VAL 88 3HG1 VAL 88 7.596 -0.537 -6.620 660 HG21 VAL 88 1HG2 VAL 88 9.088 2.136 -5.045 661 HG22 VAL 88 2HG2 VAL 88 8.714 1.229 -6.511 662 HG23 VAL 88 3HG2 VAL 88 7.445 2.133 -5.684 663 H HIS 89 H HIS 89 7.909 -0.093 -1.434 664 HA HIS 89 HA HIS 89 6.911 -2.793 -1.507 665 HB2 HIS 89 1HB HIS 89 9.098 -2.361 -0.536 666 HB3 HIS 89 2HB HIS 89 8.388 -1.266 0.647 667 HD1 HIS 89 1HD HIS 89 9.546 -4.616 0.348 668 HD2 HIS 89 2HD HIS 89 6.389 -2.786 2.335 669 HE1 HIS 89 1HE HIS 89 8.845 -6.240 2.136 670 HE2 HIS 89 2HE HIS 89 6.879 -5.148 3.269 671 H ARG 90 H ARG 90 6.138 0.189 0.197 672 HA ARG 90 HA ARG 90 4.202 -1.033 1.925 673 HB2 ARG 90 1HB ARG 90 4.732 1.864 1.245 674 HB3 ARG 90 2HB ARG 90 3.595 1.325 2.473 675 HG2 ARG 90 1HG ARG 90 5.283 0.551 3.875 676 HG3 ARG 90 2HG ARG 90 6.470 0.502 2.570 677 HD2 ARG 90 1HD ARG 90 6.617 2.878 2.510 678 HD3 ARG 90 2HD ARG 90 5.230 3.050 3.585 679 HE ARG 90 HE ARG 90 7.446 1.605 4.727 680 HH11 ARG 90 2HH1 ARG 90 5.990 4.726 4.221 681 HH12 ARG 90 1HH1 ARG 90 6.784 5.461 5.574 682 HH21 ARG 90 2HH2 ARG 90 8.498 2.561 6.510 683 HH22 ARG 90 1HH2 ARG 90 8.212 4.229 6.875 684 H VAL 91 H VAL 91 4.097 0.820 -1.083 685 HA VAL 91 HA VAL 91 1.292 1.065 -1.247 686 HB VAL 91 HB VAL 91 3.361 1.041 -3.448 687 HG11 VAL 91 1HG1 VAL 91 1.756 1.265 -4.974 688 HG12 VAL 91 2HG1 VAL 91 0.614 0.765 -3.725 689 HG13 VAL 91 3HG1 VAL 91 0.914 2.479 -4.011 690 HG21 VAL 91 1HG2 VAL 91 3.363 2.828 -1.575 691 HG22 VAL 91 2HG2 VAL 91 3.468 3.351 -3.256 692 HG23 VAL 91 3HG2 VAL 91 1.932 3.452 -2.396 693 H HIS 92 H HIS 92 3.476 -1.172 -2.971 694 HA HIS 92 HA HIS 92 1.566 -2.715 -4.233 695 HB2 HIS 92 1HB HIS 92 4.059 -2.845 -4.552 696 HB3 HIS 92 2HB HIS 92 4.140 -3.789 -3.068 697 HD1 HIS 92 1HD HIS 92 2.920 -6.157 -3.138 698 HD2 HIS 92 2HD HIS 92 3.404 -4.265 -6.804 699 HE1 HIS 92 1HE HIS 92 2.551 -7.943 -4.870 700 HE2 HIS 92 2HE HIS 92 2.933 -6.793 -7.078 701 H SER 93 H SER 93 2.471 -2.661 -0.890 702 HA SER 93 HA SER 93 1.390 -5.209 -0.194 703 HB2 SER 93 1HB SER 93 2.339 -2.812 1.330 704 HB3 SER 93 2HB SER 93 1.400 -4.047 2.170 705 HG SER 93 HG SER 93 3.983 -4.124 1.252 706 H TYR 94 H TYR 94 0.243 -1.908 0.535 707 HA TYR 94 HA TYR 94 -2.166 -2.403 1.650 708 HB2 TYR 94 1HB TYR 94 -1.765 -0.149 1.491 709 HB3 TYR 94 2HB TYR 94 -1.197 -0.256 -0.171 710 HD1 TYR 94 1HD TYR 94 -4.145 0.042 1.988 711 HD2 TYR 94 2HD TYR 94 -2.750 -0.146 -2.027 712 HE1 TYR 94 1HE TYR 94 -6.334 0.837 1.196 713 HE2 TYR 94 2HE TYR 94 -4.934 0.650 -2.830 714 HH TYR 94 HH TYR 94 -7.579 0.487 -1.427 715 H LEU 95 H LEU 95 -1.410 -2.591 -1.792 716 HA LEU 95 HA LEU 95 -4.075 -3.066 -2.654 717 HB2 LEU 95 1HB LEU 95 -1.409 -3.627 -3.934 718 HB3 LEU 95 2HB LEU 95 -2.952 -3.902 -4.739 719 HG LEU 95 HG LEU 95 -2.237 -1.190 -3.682 720 HD11 LEU 95 1HD1 LEU 95 -0.364 -1.623 -5.032 721 HD12 LEU 95 2HD1 LEU 95 -1.477 -0.722 -6.060 722 HD13 LEU 95 3HD1 LEU 95 -1.328 -2.469 -6.243 723 HD21 LEU 95 1HD2 LEU 95 -3.704 -0.539 -5.616 724 HD22 LEU 95 2HD2 LEU 95 -4.513 -1.425 -4.322 725 HD23 LEU 95 3HD2 LEU 95 -4.075 -2.252 -5.818 726 H GLU 96 H GLU 96 -1.295 -5.306 -2.562 727 HA GLU 96 HA GLU 96 -2.755 -7.641 -2.977 728 HB2 GLU 96 1HB GLU 96 -0.335 -7.585 -3.188 729 HB3 GLU 96 2HB GLU 96 -0.164 -7.245 -1.472 730 HG2 GLU 96 1HG GLU 96 -1.464 -9.749 -2.492 731 HG3 GLU 96 2HG GLU 96 0.274 -9.621 -2.222 732 H ARG 97 H ARG 97 -1.467 -6.459 0.136 733 HA ARG 97 HA ARG 97 -2.535 -8.258 1.859 734 HB2 ARG 97 1HB ARG 97 -2.200 -5.281 2.134 735 HB3 ARG 97 2HB ARG 97 -2.809 -6.259 3.463 736 HG2 ARG 97 1HG ARG 97 -0.794 -7.418 3.689 737 HG3 ARG 97 2HG ARG 97 -0.225 -6.914 2.096 738 HD2 ARG 97 1HD ARG 97 0.995 -5.561 3.532 739 HD3 ARG 97 2HD ARG 97 -0.351 -4.523 3.062 740 HE ARG 97 HE ARG 97 -1.009 -5.929 5.415 741 HH11 ARG 97 2HH1 ARG 97 1.036 -3.351 4.279 742 HH12 ARG 97 1HH1 ARG 97 1.062 -2.525 5.802 743 HH21 ARG 97 2HH2 ARG 97 -0.982 -4.852 7.425 744 HH22 ARG 97 1HH2 ARG 97 -0.086 -3.380 7.591 745 H HIS 98 H HIS 98 -4.218 -5.362 0.650 746 HA HIS 98 HA HIS 98 -6.653 -5.854 1.975 747 HB2 HIS 98 1HB HIS 98 -5.918 -4.222 -0.445 748 HB3 HIS 98 2HB HIS 98 -7.587 -4.343 0.105 749 HD1 HIS 98 1HD HIS 98 -7.963 -2.050 1.025 750 HD2 HIS 98 2HD HIS 98 -4.469 -3.779 2.461 751 HE1 HIS 98 1HE HIS 98 -7.121 -0.485 2.805 752 HE2 HIS 98 2HE HIS 98 -4.961 -1.509 3.600 753 H GLY 99 H GLY 99 -5.504 -6.732 -1.261 754 HA2 GLY 99 1HA GLY 99 -6.192 -8.940 -2.087 755 HA3 GLY 99 2HA GLY 99 -7.791 -8.594 -1.446 756 H LEU 100 H LEU 100 -5.843 -6.240 -3.163 757 HA LEU 100 HA LEU 100 -7.918 -6.120 -5.225 758 HB2 LEU 100 1HB LEU 100 -5.660 -4.175 -4.867 759 HB3 LEU 100 2HB LEU 100 -7.199 -3.928 -5.690 760 HG LEU 100 HG LEU 100 -6.526 -3.737 -2.808 761 HD11 LEU 100 1HD1 LEU 100 -6.847 -1.690 -3.900 762 HD12 LEU 100 2HD1 LEU 100 -8.357 -1.980 -3.038 763 HD13 LEU 100 3HD1 LEU 100 -8.262 -2.277 -4.774 764 HD21 LEU 100 1HD2 LEU 100 -8.098 -5.314 -2.349 765 HD22 LEU 100 2HD2 LEU 100 -8.951 -5.071 -3.874 766 HD23 LEU 100 3HD2 LEU 100 -9.163 -3.923 -2.550 767 H ILE 101 H ILE 101 -4.808 -7.325 -4.730 768 HA ILE 101 HA ILE 101 -4.513 -7.807 -7.601 769 HB ILE 101 HB ILE 101 -2.105 -7.320 -7.525 770 HG12 ILE 101 1HG1 ILE 101 -2.459 -5.845 -4.949 771 HG13 ILE 101 2HG1 ILE 101 -2.177 -7.582 -4.895 772 HG21 ILE 101 1HG2 ILE 101 -2.314 -4.821 -7.341 773 HG22 ILE 101 2HG2 ILE 101 -3.486 -5.600 -8.402 774 HG23 ILE 101 3HG2 ILE 101 -3.969 -5.075 -6.790 775 HD11 ILE 101 1HD1 ILE 101 -0.365 -5.888 -6.533 776 HD12 ILE 101 2HD1 ILE 101 -0.193 -5.887 -4.777 777 HD13 ILE 101 3HD1 ILE 101 -0.040 -7.395 -5.678 778 H ASN 102 H ASN 102 -3.524 -9.735 -8.125 779 HA ASN 102 HA ASN 102 -2.787 -11.872 -7.868 780 HB2 ASN 102 1HB ASN 102 -1.828 -11.006 -5.134 781 HB3 ASN 102 2HB ASN 102 -1.261 -12.387 -6.069 782 HD21 ASN 102 1HD2 ASN 102 0.820 -11.304 -5.605 783 HD22 ASN 102 2HD2 ASN 102 1.368 -10.100 -6.715 784 H PHE 103 H PHE 103 -5.381 -11.704 -7.549 785 HA PHE 103 HA PHE 103 -5.969 -13.343 -5.173 786 HB2 PHE 103 1HB PHE 103 -8.312 -12.393 -5.341 787 HB3 PHE 103 2HB PHE 103 -7.069 -11.260 -4.823 788 HD1 PHE 103 1HD PHE 103 -8.457 -12.471 -8.073 789 HD2 PHE 103 2HD PHE 103 -7.282 -9.153 -5.679 790 HE1 PHE 103 1HE PHE 103 -9.107 -10.938 -9.885 791 HE2 PHE 103 2HE PHE 103 -7.930 -7.615 -7.487 792 HZ PHE 103 HZ PHE 103 -8.844 -8.506 -9.593 793 H GLY 104 H GLY 104 -5.288 -13.878 -8.122 794 HA2 GLY 104 1HA GLY 104 -7.067 -16.106 -8.413 795 HA3 GLY 104 2HA GLY 104 -7.401 -14.837 -9.582 796 H ILE 105 H ILE 105 -4.357 -16.115 -8.251 797 HA ILE 105 HA ILE 105 -3.589 -16.900 -10.980 798 HB ILE 105 HB ILE 105 -1.295 -16.120 -10.559 799 HG12 ILE 105 1HG1 ILE 105 -1.450 -16.240 -8.062 800 HG13 ILE 105 2HG1 ILE 105 -0.751 -14.740 -8.661 801 HG21 ILE 105 1HG2 ILE 105 -3.587 -14.527 -11.063 802 HG22 ILE 105 2HG2 ILE 105 -2.453 -13.568 -10.113 803 HG23 ILE 105 3HG2 ILE 105 -1.936 -14.291 -11.636 804 HD11 ILE 105 1HD1 ILE 105 -3.134 -15.182 -7.074 805 HD12 ILE 105 2HD1 ILE 105 -2.185 -13.714 -7.315 806 HD13 ILE 105 3HD1 ILE 105 -3.433 -14.160 -8.479 807 H TYR 106 H TYR 106 -3.101 -17.293 -7.512 808 HA TYR 106 HA TYR 106 -1.981 -19.967 -8.042 809 HB2 TYR 106 1HB TYR 106 -0.974 -19.682 -5.691 810 HB3 TYR 106 2HB TYR 106 -0.236 -18.782 -7.011 811 HD1 TYR 106 1HD TYR 106 -2.888 -18.367 -4.409 812 HD2 TYR 106 2HD TYR 106 0.209 -16.540 -6.683 813 HE1 TYR 106 1HE TYR 106 -3.206 -16.277 -3.152 814 HE2 TYR 106 2HE TYR 106 -0.100 -14.445 -5.432 815 HH TYR 106 HH TYR 106 -2.407 -13.470 -4.020 816 H LYS 107 H LYS 107 -2.379 -21.540 -6.247 817 HA LYS 107 HA LYS 107 -5.186 -21.602 -5.657 818 HB2 LYS 107 1HB LYS 107 -3.500 -23.560 -6.181 819 HB3 LYS 107 2HB LYS 107 -3.244 -23.525 -4.441 820 HG2 LYS 107 1HG LYS 107 -4.916 -25.049 -4.522 821 HG3 LYS 107 2HG LYS 107 -5.895 -23.583 -4.429 822 HD2 LYS 107 1HD LYS 107 -5.080 -24.548 -7.120 823 HD3 LYS 107 2HD LYS 107 -6.331 -25.451 -6.262 824 HE2 LYS 107 1HE LYS 107 -6.361 -22.523 -6.982 825 HE3 LYS 107 2HE LYS 107 -7.378 -23.795 -7.656 826 HZ1 LYS 107 1HZ LYS 107 -8.839 -23.286 -6.086 827 HZ2 LYS 107 2HZ LYS 107 -7.752 -22.262 -5.292 828 HZ3 LYS 107 3HZ LYS 107 -7.767 -23.917 -4.939 829 H ARG 108 H ARG 108 -5.469 -19.794 -4.285 830 HA ARG 108 HA ARG 108 -4.522 -20.252 -1.534 831 HB2 ARG 108 1HB ARG 108 -3.324 -18.349 -2.426 832 HB3 ARG 108 2HB ARG 108 -4.825 -17.616 -2.978 833 HG2 ARG 108 1HG ARG 108 -4.249 -16.458 -1.028 834 HG3 ARG 108 2HG ARG 108 -5.528 -17.572 -0.541 835 HD2 ARG 108 1HD ARG 108 -4.111 -18.875 0.690 836 HD3 ARG 108 2HD ARG 108 -2.716 -18.500 -0.319 837 HE ARG 108 HE ARG 108 -3.234 -16.145 0.891 838 HH11 ARG 108 2HH1 ARG 108 -2.813 -19.388 2.085 839 HH12 ARG 108 1HH1 ARG 108 -2.161 -18.882 3.608 840 HH21 ARG 108 2HH2 ARG 108 -2.377 -15.466 2.893 841 HH22 ARG 108 1HH2 ARG 108 -1.914 -16.651 4.067 842 H ILE 109 H ILE 109 -6.934 -18.385 -3.387 843 HA ILE 109 HA ILE 109 -8.799 -18.477 -1.181 844 HB ILE 109 HB ILE 109 -9.312 -17.480 -3.982 845 HG12 ILE 109 1HG1 ILE 109 -7.382 -16.306 -3.086 846 HG13 ILE 109 2HG1 ILE 109 -8.777 -15.233 -3.074 847 HG21 ILE 109 1HG2 ILE 109 -11.353 -16.996 -3.259 848 HG22 ILE 109 2HG2 ILE 109 -10.981 -17.810 -1.740 849 HG23 ILE 109 3HG2 ILE 109 -10.691 -16.078 -1.907 850 HD11 ILE 109 1HD1 ILE 109 -9.080 -15.673 -0.687 851 HD12 ILE 109 2HD1 ILE 109 -7.658 -16.718 -0.709 852 HD13 ILE 109 3HD1 ILE 109 -7.491 -14.994 -1.042 853 H LYS 110 H LYS 110 -9.978 -20.223 -0.797 854 HA LYS 110 HA LYS 110 -10.279 -22.497 -2.193 855 HB2 LYS 110 1HB LYS 110 -12.283 -21.055 -0.472 856 HB3 LYS 110 2HB LYS 110 -12.639 -22.632 -1.165 857 HG2 LYS 110 1HG LYS 110 -10.183 -22.148 0.486 858 HG3 LYS 110 2HG LYS 110 -11.736 -22.566 1.212 859 HD2 LYS 110 1HD LYS 110 -10.596 -24.230 -1.002 860 HD3 LYS 110 2HD LYS 110 -10.045 -24.453 0.660 861 HE2 LYS 110 1HE LYS 110 -12.622 -24.538 1.160 862 HE3 LYS 110 2HE LYS 110 -12.724 -24.969 -0.546 863 HZ1 LYS 110 1HZ LYS 110 -12.472 -26.813 1.229 864 HZ2 LYS 110 2HZ LYS 110 -10.835 -26.391 1.204 865 HZ3 LYS 110 3HZ LYS 110 -11.592 -26.925 -0.212 866 HA PRO 111 HA PRO 111 -12.534 -21.831 -5.900 867 HB2 PRO 111 1HB PRO 111 -13.907 -24.163 -6.113 868 HB3 PRO 111 2HB PRO 111 -12.164 -24.047 -6.384 869 HG2 PRO 111 1HG PRO 111 -13.646 -24.962 -3.949 870 HG3 PRO 111 2HG PRO 111 -12.208 -25.663 -4.713 871 HD2 PRO 111 1HD PRO 111 -12.068 -24.092 -2.513 872 HD3 PRO 111 2HD PRO 111 -10.789 -24.128 -3.743 873 H LEU 112 H LEU 112 -14.606 -21.398 -6.765 874 HA LEU 112 HA LEU 112 -16.865 -21.498 -4.902 875 HB2 LEU 112 1HB LEU 112 -15.690 -19.071 -6.182 876 HB3 LEU 112 2HB LEU 112 -17.425 -19.141 -5.880 877 HG LEU 112 HG LEU 112 -15.359 -19.518 -3.720 878 HD11 LEU 112 1HD1 LEU 112 -16.291 -17.082 -5.035 879 HD12 LEU 112 2HD1 LEU 112 -14.897 -17.348 -3.989 880 HD13 LEU 112 3HD1 LEU 112 -16.489 -17.070 -3.283 881 HD21 LEU 112 1HD2 LEU 112 -17.135 -19.296 -2.210 882 HD22 LEU 112 2HD2 LEU 112 -17.760 -20.359 -3.472 883 HD23 LEU 112 3HD2 LEU 112 -18.221 -18.656 -3.443 884 HA PRO 113 HA PRO 113 -19.238 -22.718 -8.386 885 HB2 PRO 113 1HB PRO 113 -21.651 -21.606 -7.829 886 HB3 PRO 113 2HB PRO 113 -21.008 -22.996 -6.947 887 HG2 PRO 113 1HG PRO 113 -21.009 -20.102 -6.181 888 HG3 PRO 113 2HG PRO 113 -21.361 -21.524 -5.182 889 HD2 PRO 113 1HD PRO 113 -18.970 -20.256 -5.119 890 HD3 PRO 113 2HD PRO 113 -19.131 -22.005 -4.857 891 H THR 114 H THR 114 -20.453 -21.948 -10.252 892 HA THR 114 HA THR 114 -19.424 -19.420 -11.199 893 HB THR 114 HB THR 114 -19.516 -21.457 -12.649 894 HG1 THR 114 1HG THR 114 -20.798 -20.085 -14.370 895 HG21 THR 114 1HG2 THR 114 -21.542 -22.270 -13.531 896 HG22 THR 114 2HG2 THR 114 -22.455 -20.884 -12.935 897 HG23 THR 114 3HG2 THR 114 -21.845 -22.091 -11.804 898 H LYS 115 H LYS 115 -20.506 -17.552 -11.406 899 HA LYS 115 HA LYS 115 -23.331 -17.365 -11.643 900 HB2 LYS 115 1HB LYS 115 -23.773 -16.209 -9.503 901 HB3 LYS 115 2HB LYS 115 -23.303 -17.888 -9.274 902 HG2 LYS 115 1HG LYS 115 -20.941 -16.985 -8.900 903 HG3 LYS 115 2HG LYS 115 -21.713 -15.407 -8.731 904 HD2 LYS 115 1HD LYS 115 -22.747 -15.972 -6.766 905 HD3 LYS 115 2HD LYS 115 -22.812 -17.690 -7.169 906 HE2 LYS 115 1HE LYS 115 -20.616 -18.054 -6.517 907 HE3 LYS 115 2HE LYS 115 -20.179 -16.355 -6.687 908 HZ1 LYS 115 1HZ LYS 115 -21.532 -17.713 -4.472 909 HZ2 LYS 115 2HZ LYS 115 -21.922 -16.095 -4.772 910 HZ3 LYS 115 3HZ LYS 115 -20.323 -16.530 -4.433 911 H LYS 116 H LYS 116 -23.790 -15.528 -12.676 912 HA LYS 116 HA LYS 116 -23.479 -13.534 -13.734 913 HB2 LYS 116 1HB LYS 116 -23.796 -12.867 -11.296 914 HB3 LYS 116 2HB LYS 116 -22.050 -12.678 -11.219 915 HG2 LYS 116 1HG LYS 116 -22.122 -10.965 -12.920 916 HG3 LYS 116 2HG LYS 116 -23.860 -11.200 -13.119 917 HD2 LYS 116 1HD LYS 116 -24.209 -10.501 -10.791 918 HD3 LYS 116 2HD LYS 116 -22.471 -10.246 -10.614 919 HE2 LYS 116 1HE LYS 116 -23.457 -8.122 -11.030 920 HE3 LYS 116 2HE LYS 116 -22.616 -8.604 -12.503 921 HZ1 LYS 116 1HZ LYS 116 -25.392 -8.076 -12.093 922 HZ2 LYS 116 2HZ LYS 116 -25.144 -9.588 -12.810 923 HZ3 LYS 116 3HZ LYS 116 -24.522 -8.193 -13.539 924 H THR 117 H THR 117 -21.554 -15.430 -14.382 925 HA THR 117 HA THR 117 -18.901 -14.455 -14.173 926 HB THR 117 HB THR 117 -20.028 -16.328 -16.263 927 HG1 THR 117 1HG THR 117 -19.106 -17.920 -14.740 928 HG21 THR 117 1HG2 THR 117 -17.580 -17.177 -16.086 929 HG22 THR 117 2HG2 THR 117 -17.252 -15.578 -15.418 930 HG23 THR 117 3HG2 THR 117 -17.920 -15.736 -17.043 931 H GLY 118 H GLY 118 -18.001 -12.781 -15.172 932 HA2 GLY 118 1HA GLY 118 -19.389 -11.516 -17.395 933 HA3 GLY 118 2HA GLY 118 -18.005 -10.871 -16.525 934 H SER 119 H SER 119 -19.073 -12.597 -19.274 935 HA SER 119 HA SER 119 -16.758 -13.949 -20.048 936 HB2 SER 119 1HB SER 119 -19.136 -12.858 -21.483 937 HB3 SER 119 2HB SER 119 -17.744 -13.351 -22.447 938 HG SER 119 HG SER 119 -19.243 -15.062 -22.112 939 H GLY 120 H GLY 120 -17.820 -10.650 -20.875 940 HA2 GLY 120 1HA GLY 120 -16.605 -8.788 -21.454 941 HA3 GLY 120 2HA GLY 120 -15.185 -9.608 -20.821 942 HA PRO 121 HA PRO 121 -15.537 -10.965 -25.450 943 HB2 PRO 121 1HB PRO 121 -17.409 -9.696 -26.953 944 HB3 PRO 121 2HB PRO 121 -17.736 -11.194 -26.074 945 HG2 PRO 121 1HG PRO 121 -18.383 -8.372 -25.314 946 HG3 PRO 121 2HG PRO 121 -19.388 -9.827 -25.174 947 HD2 PRO 121 1HD PRO 121 -18.051 -8.772 -23.069 948 HD3 PRO 121 2HD PRO 121 -18.343 -10.515 -23.238 949 H SER 122 H SER 122 -13.768 -10.076 -26.296 950 HA SER 122 HA SER 122 -13.872 -7.336 -27.282 951 HB2 SER 122 1HB SER 122 -12.068 -8.295 -25.099 952 HB3 SER 122 2HB SER 122 -11.443 -7.120 -26.257 953 HG SER 122 HG SER 122 -13.486 -6.852 -24.363 954 H SER 123 H SER 123 -12.456 -6.916 -28.978 955 HA SER 123 HA SER 123 -11.044 -9.280 -30.032 956 HB2 SER 123 1HB SER 123 -13.149 -8.268 -31.254 957 HB3 SER 123 2HB SER 123 -11.983 -7.079 -31.834 958 HG SER 123 HG SER 123 -11.289 -8.517 -33.184 959 H GLY 124 H GLY 124 -9.764 -7.562 -28.265 960 HA2 GLY 124 1HA GLY 124 -8.217 -5.644 -29.795 961 HA3 GLY 124 2HA GLY 124 -8.055 -5.986 -28.079 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -26.748 -5.257 -4.481 2 HA2 GLY 1 1HA GLY 1 -26.897 -7.297 -6.204 3 HA3 GLY 1 2HA GLY 1 -26.828 -5.637 -6.775 4 H SER 2 H SER 2 -25.915 -7.627 -8.387 5 HA SER 2 HA SER 2 -23.007 -7.702 -8.095 6 HB2 SER 2 1HB SER 2 -24.950 -9.184 -9.859 7 HB3 SER 2 2HB SER 2 -23.212 -9.224 -10.158 8 HG SER 2 HG SER 2 -24.489 -9.977 -7.735 9 H SER 3 H SER 3 -21.600 -6.758 -9.509 10 HA SER 3 HA SER 3 -22.744 -5.182 -11.713 11 HB2 SER 3 1HB SER 3 -21.214 -3.331 -11.170 12 HB3 SER 3 2HB SER 3 -22.310 -3.666 -9.830 13 HG SER 3 HG SER 3 -20.657 -4.689 -8.752 14 H GLY 4 H GLY 4 -21.692 -5.356 -13.602 15 HA2 GLY 4 1HA GLY 4 -19.482 -7.197 -13.784 16 HA3 GLY 4 2HA GLY 4 -20.281 -6.387 -15.123 17 H SER 5 H SER 5 -17.422 -6.668 -13.568 18 HA SER 5 HA SER 5 -16.563 -3.932 -13.567 19 HB2 SER 5 1HB SER 5 -15.431 -5.313 -12.024 20 HB3 SER 5 2HB SER 5 -15.144 -6.569 -13.228 21 HG SER 5 HG SER 5 -14.072 -4.059 -13.754 22 H SER 6 H SER 6 -15.913 -6.750 -15.636 23 HA SER 6 HA SER 6 -14.148 -5.721 -17.435 24 HB2 SER 6 1HB SER 6 -16.486 -7.576 -17.879 25 HB3 SER 6 2HB SER 6 -15.336 -7.191 -19.160 26 HG SER 6 HG SER 6 -14.373 -8.879 -18.282 27 H GLY 7 H GLY 7 -14.190 -3.758 -18.325 28 HA2 GLY 7 1HA GLY 7 -16.471 -3.047 -20.000 29 HA3 GLY 7 2HA GLY 7 -16.085 -1.939 -18.691 30 H GLU 8 H GLU 8 -15.668 -0.291 -20.228 31 HA GLU 8 HA GLU 8 -13.946 -0.415 -22.385 32 HB2 GLU 8 1HB GLU 8 -14.440 1.893 -20.498 33 HB3 GLU 8 2HB GLU 8 -13.623 2.034 -22.048 34 HG2 GLU 8 1HG GLU 8 -15.709 1.110 -23.107 35 HG3 GLU 8 2HG GLU 8 -16.490 1.300 -21.538 36 H GLU 9 H GLU 9 -11.886 -0.982 -22.506 37 HA GLU 9 HA GLU 9 -10.155 -1.626 -20.546 38 HB2 GLU 9 1HB GLU 9 -8.329 -1.278 -22.090 39 HB3 GLU 9 2HB GLU 9 -9.718 -1.901 -22.971 40 HG2 GLU 9 1HG GLU 9 -8.853 0.980 -22.865 41 HG3 GLU 9 2HG GLU 9 -8.575 -0.135 -24.202 42 HA PRO 10 HA PRO 10 -9.119 1.993 -18.268 43 HB2 PRO 10 1HB PRO 10 -6.741 1.188 -17.236 44 HB3 PRO 10 2HB PRO 10 -8.295 0.566 -16.667 45 HG2 PRO 10 1HG PRO 10 -6.348 -0.665 -18.578 46 HG3 PRO 10 2HG PRO 10 -7.254 -1.427 -17.258 47 HD2 PRO 10 1HD PRO 10 -8.015 -1.623 -19.849 48 HD3 PRO 10 2HD PRO 10 -9.181 -1.600 -18.511 49 H SER 11 H SER 11 -8.808 3.458 -20.004 50 HA SER 11 HA SER 11 -6.364 3.556 -21.479 51 HB2 SER 11 1HB SER 11 -8.684 5.462 -21.186 52 HB3 SER 11 2HB SER 11 -7.265 5.857 -22.155 53 HG SER 11 HG SER 11 -9.175 4.763 -23.193 54 H GLY 12 H GLY 12 -4.496 4.042 -20.525 55 HA2 GLY 12 1HA GLY 12 -2.998 5.674 -19.677 56 HA3 GLY 12 2HA GLY 12 -4.358 6.495 -18.927 57 H VAL 13 H VAL 13 -1.694 5.398 -17.935 58 HA VAL 13 HA VAL 13 -1.996 3.221 -16.267 59 HB VAL 13 HB VAL 13 -0.349 5.720 -15.916 60 HG11 VAL 13 1HG1 VAL 13 0.846 4.618 -14.121 61 HG12 VAL 13 2HG1 VAL 13 -0.864 4.755 -13.706 62 HG13 VAL 13 3HG1 VAL 13 -0.208 3.210 -14.248 63 HG21 VAL 13 1HG2 VAL 13 0.976 4.702 -17.380 64 HG22 VAL 13 2HG2 VAL 13 1.225 3.410 -16.205 65 HG23 VAL 13 3HG2 VAL 13 -0.067 3.281 -17.398 66 H GLU 14 H GLU 14 -3.142 6.496 -15.846 67 HA GLU 14 HA GLU 14 -3.769 6.251 -13.073 68 HB2 GLU 14 1HB GLU 14 -4.506 8.209 -15.227 69 HB3 GLU 14 2HB GLU 14 -5.271 8.287 -13.646 70 HG2 GLU 14 1HG GLU 14 -3.074 8.535 -12.600 71 HG3 GLU 14 2HG GLU 14 -2.318 8.479 -14.191 72 H GLY 15 H GLY 15 -5.647 5.967 -16.070 73 HA2 GLY 15 1HA GLY 15 -8.201 5.746 -15.231 74 HA3 GLY 15 2HA GLY 15 -7.537 4.691 -16.470 75 H ALA 16 H ALA 16 -5.713 3.281 -14.793 76 HA ALA 16 HA ALA 16 -7.124 1.093 -14.023 77 HB1 ALA 16 1HB ALA 16 -4.484 2.152 -13.441 78 HB2 ALA 16 2HB ALA 16 -5.115 1.154 -12.130 79 HB3 ALA 16 3HB ALA 16 -4.993 0.494 -13.761 80 H ALA 17 H ALA 17 -6.145 3.713 -11.806 81 HA ALA 17 HA ALA 17 -7.114 2.987 -9.435 82 HB1 ALA 17 1HB ALA 17 -8.082 5.656 -10.258 83 HB2 ALA 17 2HB ALA 17 -7.132 5.175 -8.851 84 HB3 ALA 17 3HB ALA 17 -6.352 5.351 -10.423 85 H PHE 18 H PHE 18 -9.108 3.852 -12.198 86 HA PHE 18 HA PHE 18 -11.587 4.178 -11.128 87 HB2 PHE 18 1HB PHE 18 -11.407 4.357 -13.472 88 HB3 PHE 18 2HB PHE 18 -10.719 2.744 -13.628 89 HD1 PHE 18 1HD PHE 18 -12.168 0.756 -13.356 90 HD2 PHE 18 2HD PHE 18 -13.746 4.707 -13.463 91 HE1 PHE 18 1HE PHE 18 -14.406 -0.155 -13.820 92 HE2 PHE 18 2HE PHE 18 -15.987 3.803 -13.926 93 HZ PHE 18 HZ PHE 18 -16.320 1.369 -14.105 94 H GLN 19 H GLN 19 -10.302 1.003 -12.133 95 HA GLN 19 HA GLN 19 -12.230 -0.689 -11.347 96 HB2 GLN 19 1HB GLN 19 -10.592 -2.379 -11.027 97 HB3 GLN 19 2HB GLN 19 -9.946 -1.287 -12.245 98 HG2 GLN 19 1HG GLN 19 -8.308 -0.490 -10.867 99 HG3 GLN 19 2HG GLN 19 -9.230 -0.817 -9.400 100 HE21 GLN 19 1HE2 GLN 19 -9.161 -2.851 -8.484 101 HE22 GLN 19 2HE2 GLN 19 -7.997 -4.041 -8.945 102 H SER 20 H SER 20 -10.278 1.254 -9.233 103 HA SER 20 HA SER 20 -11.510 -0.031 -6.889 104 HB2 SER 20 1HB SER 20 -8.926 1.445 -7.279 105 HB3 SER 20 2HB SER 20 -9.661 1.367 -5.678 106 HG SER 20 HG SER 20 -8.645 -0.477 -5.594 107 H ARG 21 H ARG 21 -12.816 1.101 -5.563 108 HA ARG 21 HA ARG 21 -13.916 3.556 -6.468 109 HB2 ARG 21 1HB ARG 21 -14.318 1.761 -4.130 110 HB3 ARG 21 2HB ARG 21 -14.884 3.419 -3.981 111 HG2 ARG 21 1HG ARG 21 -16.757 2.379 -4.783 112 HG3 ARG 21 2HG ARG 21 -16.013 2.934 -6.284 113 HD2 ARG 21 1HD ARG 21 -16.598 0.717 -6.726 114 HD3 ARG 21 2HD ARG 21 -14.877 0.641 -6.347 115 HE ARG 21 HE ARG 21 -16.020 0.169 -3.958 116 HH11 ARG 21 2HH1 ARG 21 -16.534 -1.193 -7.121 117 HH12 ARG 21 1HH1 ARG 21 -17.010 -2.746 -6.518 118 HH21 ARG 21 2HH2 ARG 21 -16.645 -1.871 -3.152 119 HH22 ARG 21 1HH2 ARG 21 -17.074 -3.130 -4.260 120 H LEU 22 H LEU 22 -11.850 4.750 -6.572 121 HA LEU 22 HA LEU 22 -11.613 6.533 -4.376 122 HB2 LEU 22 1HB LEU 22 -9.339 6.071 -3.714 123 HB3 LEU 22 2HB LEU 22 -10.347 4.648 -3.456 124 HG LEU 22 HG LEU 22 -9.389 3.955 -5.812 125 HD11 LEU 22 1HD1 LEU 22 -8.146 6.297 -5.717 126 HD12 LEU 22 2HD1 LEU 22 -7.425 4.880 -6.480 127 HD13 LEU 22 3HD1 LEU 22 -6.951 5.337 -4.844 128 HD21 LEU 22 1HD2 LEU 22 -7.338 3.040 -4.469 129 HD22 LEU 22 2HD2 LEU 22 -8.970 2.481 -4.100 130 HD23 LEU 22 3HD2 LEU 22 -8.206 3.706 -3.085 131 HA PRO 23 HA PRO 23 -10.173 9.088 -7.652 132 HB2 PRO 23 1HB PRO 23 -8.945 11.037 -6.215 133 HB3 PRO 23 2HB PRO 23 -10.703 10.872 -6.304 134 HG2 PRO 23 1HG PRO 23 -8.823 9.974 -4.154 135 HG3 PRO 23 2HG PRO 23 -10.402 10.766 -4.000 136 HD2 PRO 23 1HD PRO 23 -10.072 8.098 -3.676 137 HD3 PRO 23 2HD PRO 23 -11.560 8.802 -4.340 138 H HIS 24 H HIS 24 -8.367 9.452 -8.888 139 HA HIS 24 HA HIS 24 -5.939 8.080 -8.036 140 HB2 HIS 24 1HB HIS 24 -5.249 8.461 -10.438 141 HB3 HIS 24 2HB HIS 24 -6.678 7.456 -10.216 142 HD1 HIS 24 1HD HIS 24 -8.961 8.466 -10.943 143 HD2 HIS 24 2HD HIS 24 -5.676 10.878 -11.753 144 HE1 HIS 24 1HE HIS 24 -9.797 10.232 -12.527 145 HE2 HIS 24 2HE HIS 24 -7.772 11.628 -13.069 146 H ASP 25 H ASP 25 -7.177 11.214 -8.153 147 HA ASP 25 HA ASP 25 -4.588 12.503 -8.491 148 HB2 ASP 25 1HB ASP 25 -7.421 13.448 -8.318 149 HB3 ASP 25 2HB ASP 25 -6.122 14.578 -7.945 150 H ARG 26 H ARG 26 -6.866 11.681 -5.976 151 HA ARG 26 HA ARG 26 -4.952 12.701 -3.988 152 HB2 ARG 26 1HB ARG 26 -6.779 13.412 -2.556 153 HB3 ARG 26 2HB ARG 26 -6.903 14.208 -4.120 154 HG2 ARG 26 1HG ARG 26 -8.518 12.272 -4.704 155 HG3 ARG 26 2HG ARG 26 -8.614 12.056 -2.955 156 HD2 ARG 26 1HD ARG 26 -10.333 13.526 -3.246 157 HD3 ARG 26 2HD ARG 26 -9.010 14.668 -3.017 158 HE ARG 26 HE ARG 26 -9.171 15.274 -5.238 159 HH11 ARG 26 2HH1 ARG 26 -11.166 12.493 -4.601 160 HH12 ARG 26 1HH1 ARG 26 -11.992 12.575 -6.122 161 HH21 ARG 26 2HH2 ARG 26 -10.252 15.393 -7.243 162 HH22 ARG 26 1HH2 ARG 26 -11.471 14.224 -7.624 163 H MET 27 H MET 27 -5.537 11.737 -1.740 164 HA MET 27 HA MET 27 -5.841 8.847 -2.130 165 HB2 MET 27 1HB MET 27 -4.778 10.295 0.298 166 HB3 MET 27 2HB MET 27 -4.675 8.572 -0.039 167 HG2 MET 27 1HG MET 27 -3.014 8.835 -1.604 168 HG3 MET 27 2HG MET 27 -3.455 10.507 -1.945 169 HE1 MET 27 1HE MET 27 -2.818 8.374 1.084 170 HE2 MET 27 2HE MET 27 -1.124 8.241 0.609 171 HE3 MET 27 3HE MET 27 -1.574 9.210 2.014 172 H THR 28 H THR 28 -6.984 7.620 -0.448 173 HA THR 28 HA THR 28 -9.393 9.064 0.401 174 HB THR 28 HB THR 28 -10.462 6.874 0.604 175 HG1 THR 28 1HG THR 28 -7.834 5.992 0.137 176 HG21 THR 28 1HG2 THR 28 -9.006 7.097 -2.032 177 HG22 THR 28 2HG2 THR 28 -10.426 8.044 -1.590 178 HG23 THR 28 3HG2 THR 28 -10.546 6.291 -1.737 179 H SER 29 H SER 29 -10.391 8.333 2.474 180 HA SER 29 HA SER 29 -8.894 8.907 4.661 181 HB2 SER 29 1HB SER 29 -11.246 8.762 4.943 182 HB3 SER 29 2HB SER 29 -11.284 7.083 4.406 183 HG SER 29 HG SER 29 -10.984 6.527 6.398 184 H GLN 30 H GLN 30 -9.248 5.747 3.142 185 HA GLN 30 HA GLN 30 -7.866 4.276 5.129 186 HB2 GLN 30 1HB GLN 30 -8.748 3.786 2.332 187 HB3 GLN 30 2HB GLN 30 -7.492 2.737 2.976 188 HG2 GLN 30 1HG GLN 30 -9.310 1.533 3.578 189 HG3 GLN 30 2HG GLN 30 -9.178 2.563 5.001 190 HE21 GLN 30 1HE2 GLN 30 -10.505 2.957 1.731 191 HE22 GLN 30 2HE2 GLN 30 -12.054 3.523 2.244 192 H GLU 31 H GLU 31 -6.781 5.144 1.840 193 HA GLU 31 HA GLU 31 -4.135 4.443 2.086 194 HB2 GLU 31 1HB GLU 31 -5.309 6.765 0.548 195 HB3 GLU 31 2HB GLU 31 -3.678 6.148 0.327 196 HG2 GLU 31 1HG GLU 31 -6.066 4.371 0.018 197 HG3 GLU 31 2HG GLU 31 -5.499 5.392 -1.303 198 H ALA 32 H ALA 32 -5.704 7.431 3.107 199 HA ALA 32 HA ALA 32 -3.379 8.868 3.780 200 HB1 ALA 32 1HB ALA 32 -5.743 9.755 3.529 201 HB2 ALA 32 2HB ALA 32 -6.025 9.174 5.171 202 HB3 ALA 32 3HB ALA 32 -4.794 10.401 4.868 203 H ALA 33 H ALA 33 -5.370 6.600 5.606 204 HA ALA 33 HA ALA 33 -4.076 7.019 8.104 205 HB1 ALA 33 1HB ALA 33 -5.173 4.838 8.715 206 HB2 ALA 33 2HB ALA 33 -6.263 6.101 8.143 207 HB3 ALA 33 3HB ALA 33 -5.801 4.781 7.068 208 H CYS 34 H CYS 34 -3.633 4.705 5.468 209 HA CYS 34 HA CYS 34 -1.644 3.170 6.818 210 HB2 CYS 34 1HB CYS 34 -3.167 2.592 4.739 211 HB3 CYS 34 2HB CYS 34 -1.813 3.257 3.834 212 HG CYS 34 HG CYS 34 -0.508 1.058 3.790 213 H PHE 35 H PHE 35 -1.575 5.819 4.483 214 HA PHE 35 HA PHE 35 1.325 6.054 4.955 215 HB2 PHE 35 1HB PHE 35 -0.123 6.946 2.458 216 HB3 PHE 35 2HB PHE 35 1.617 6.871 2.717 217 HD1 PHE 35 2HD PHE 35 -1.422 4.757 2.480 218 HD2 PHE 35 1HD PHE 35 2.817 4.959 2.156 219 HE1 PHE 35 2HE PHE 35 -1.388 2.477 1.554 220 HE2 PHE 35 1HE PHE 35 2.858 2.680 1.229 221 HZ PHE 35 HZ PHE 35 0.754 1.436 0.928 222 HA PRO 36 HA PRO 36 -0.560 9.868 6.665 223 HB2 PRO 36 1HB PRO 36 1.313 10.168 8.608 224 HB3 PRO 36 2HB PRO 36 -0.100 9.122 8.789 225 HG2 PRO 36 1HG PRO 36 2.713 8.396 8.067 226 HG3 PRO 36 2HG PRO 36 1.597 7.581 9.178 227 HD2 PRO 36 1HD PRO 36 2.042 6.702 6.656 228 HD3 PRO 36 2HD PRO 36 0.476 6.514 7.470 229 H ASP 37 H ASP 37 2.900 9.200 6.164 230 HA ASP 37 HA ASP 37 3.756 11.856 5.950 231 HB2 ASP 37 1HB ASP 37 4.931 9.462 4.523 232 HB3 ASP 37 2HB ASP 37 5.756 10.970 4.907 233 H ILE 38 H ILE 38 2.469 9.632 3.535 234 HA ILE 38 HA ILE 38 2.984 11.253 1.275 235 HB ILE 38 HB ILE 38 0.827 9.170 1.640 236 HG12 ILE 38 1HG1 ILE 38 2.982 8.176 2.043 237 HG13 ILE 38 2HG1 ILE 38 2.459 7.699 0.432 238 HG21 ILE 38 1HG2 ILE 38 2.039 9.923 -0.983 239 HG22 ILE 38 2HG2 ILE 38 0.474 9.190 -0.639 240 HG23 ILE 38 3HG2 ILE 38 0.738 10.901 -0.304 241 HD11 ILE 38 1HD1 ILE 38 3.914 9.385 -0.546 242 HD12 ILE 38 2HD1 ILE 38 4.427 9.884 1.067 243 HD13 ILE 38 3HD1 ILE 38 4.820 8.270 0.476 244 H ILE 39 H ILE 39 -0.035 10.709 3.097 245 HA ILE 39 HA ILE 39 -1.540 12.653 1.721 246 HB ILE 39 HB ILE 39 -2.590 10.881 3.050 247 HG12 ILE 39 1HG1 ILE 39 -4.203 12.407 4.344 248 HG13 ILE 39 2HG1 ILE 39 -3.201 13.741 3.781 249 HG21 ILE 39 1HG2 ILE 39 -1.439 10.486 4.967 250 HG22 ILE 39 2HG2 ILE 39 -1.080 12.191 5.234 251 HG23 ILE 39 3HG2 ILE 39 -2.678 11.556 5.623 252 HD11 ILE 39 1HD1 ILE 39 -5.332 12.486 2.452 253 HD12 ILE 39 2HD1 ILE 39 -4.272 13.761 1.851 254 HD13 ILE 39 3HD1 ILE 39 -3.865 12.069 1.569 255 H SER 40 H SER 40 0.696 12.863 4.374 256 HA SER 40 HA SER 40 -0.049 15.662 4.851 257 HB2 SER 40 1HB SER 40 1.743 13.814 6.445 258 HB3 SER 40 2HB SER 40 1.365 15.482 6.876 259 HG SER 40 HG SER 40 -0.937 14.310 6.469 260 H GLY 41 H GLY 41 1.357 14.836 2.455 261 HA2 GLY 41 1HA GLY 41 3.891 16.293 2.891 262 HA3 GLY 41 2HA GLY 41 3.774 14.919 1.801 263 HA PRO 42 HA PRO 42 3.137 18.920 -0.549 264 HB2 PRO 42 1HB PRO 42 5.144 18.515 -2.332 265 HB3 PRO 42 2HB PRO 42 5.387 19.325 -0.780 266 HG2 PRO 42 1HG PRO 42 5.953 16.487 -1.545 267 HG3 PRO 42 2HG PRO 42 6.942 17.606 -0.588 268 HD2 PRO 42 1HD PRO 42 5.405 15.686 0.545 269 HD3 PRO 42 2HD PRO 42 5.715 17.247 1.330 270 H GLN 43 H GLN 43 2.040 19.073 -2.472 271 HA GLN 43 HA GLN 43 0.481 17.134 -3.452 272 HB2 GLN 43 1HB GLN 43 0.544 19.541 -4.196 273 HB3 GLN 43 2HB GLN 43 1.848 19.100 -5.290 274 HG2 GLN 43 1HG GLN 43 -0.129 19.109 -6.569 275 HG3 GLN 43 2HG GLN 43 0.289 17.417 -6.306 276 HE21 GLN 43 1HE2 GLN 43 -1.971 19.942 -5.669 277 HE22 GLN 43 2HE2 GLN 43 -3.172 18.966 -4.901 278 H GLN 44 H GLN 44 3.785 17.756 -4.597 279 HA GLN 44 HA GLN 44 3.931 15.865 -6.608 280 HB2 GLN 44 1HB GLN 44 5.676 17.568 -6.052 281 HB3 GLN 44 2HB GLN 44 6.162 16.562 -4.694 282 HG2 GLN 44 1HG GLN 44 6.916 14.836 -6.118 283 HG3 GLN 44 2HG GLN 44 6.148 15.567 -7.526 284 HE21 GLN 44 1HE2 GLN 44 8.939 15.406 -5.593 285 HE22 GLN 44 2HE2 GLN 44 9.870 16.603 -6.420 286 H THR 45 H THR 45 4.974 15.422 -3.225 287 HA THR 45 HA THR 45 5.659 12.772 -3.289 288 HB THR 45 HB THR 45 4.230 14.222 -1.052 289 HG1 THR 45 1HG THR 45 6.997 13.635 -1.229 290 HG21 THR 45 1HG2 THR 45 6.011 12.107 -0.230 291 HG22 THR 45 2HG2 THR 45 4.743 11.482 -1.284 292 HG23 THR 45 3HG2 THR 45 4.316 12.366 0.181 293 H GLN 46 H GLN 46 2.418 14.044 -2.509 294 HA GLN 46 HA GLN 46 1.073 11.667 -2.181 295 HB2 GLN 46 1HB GLN 46 0.104 14.253 -3.402 296 HB3 GLN 46 2HB GLN 46 -0.960 12.918 -2.978 297 HG2 GLN 46 1HG GLN 46 -0.335 13.117 -0.650 298 HG3 GLN 46 2HG GLN 46 0.815 14.393 -1.046 299 HE21 GLN 46 1HE2 GLN 46 -1.531 14.397 0.724 300 HE22 GLN 46 2HE2 GLN 46 -2.536 15.685 0.164 301 H LYS 47 H LYS 47 1.520 13.466 -5.219 302 HA LYS 47 HA LYS 47 0.163 11.705 -6.902 303 HB2 LYS 47 1HB LYS 47 2.541 13.474 -7.501 304 HB3 LYS 47 2HB LYS 47 1.548 12.689 -8.722 305 HG2 LYS 47 1HG LYS 47 -0.295 14.035 -8.266 306 HG3 LYS 47 2HG LYS 47 0.333 14.522 -6.690 307 HD2 LYS 47 1HD LYS 47 0.692 16.404 -8.010 308 HD3 LYS 47 2HD LYS 47 2.258 15.590 -8.037 309 HE2 LYS 47 1HE LYS 47 1.809 14.671 -10.206 310 HE3 LYS 47 2HE LYS 47 0.146 15.255 -10.162 311 HZ1 LYS 47 1HZ LYS 47 0.771 17.352 -10.669 312 HZ2 LYS 47 2HZ LYS 47 2.079 16.558 -11.390 313 HZ3 LYS 47 3HZ LYS 47 2.251 17.248 -9.855 314 H VAL 48 H VAL 48 3.640 11.837 -6.140 315 HA VAL 48 HA VAL 48 4.592 9.794 -7.683 316 HB VAL 48 HB VAL 48 5.379 10.393 -4.828 317 HG11 VAL 48 1HG1 VAL 48 6.442 8.403 -5.115 318 HG12 VAL 48 2HG1 VAL 48 6.475 8.545 -6.874 319 HG13 VAL 48 3HG1 VAL 48 7.626 9.454 -5.892 320 HG21 VAL 48 1HG2 VAL 48 6.650 12.095 -5.581 321 HG22 VAL 48 2HG2 VAL 48 7.070 11.261 -7.077 322 HG23 VAL 48 3HG2 VAL 48 5.518 12.085 -6.933 323 H PHE 49 H PHE 49 2.991 9.509 -4.534 324 HA PHE 49 HA PHE 49 3.207 6.640 -4.505 325 HB2 PHE 49 1HB PHE 49 3.143 7.374 -2.337 326 HB3 PHE 49 2HB PHE 49 2.080 8.727 -2.714 327 HD1 PHE 49 1HD PHE 49 -0.366 8.248 -3.138 328 HD2 PHE 49 2HD PHE 49 2.296 5.393 -1.442 329 HE1 PHE 49 1HE PHE 49 -2.286 6.986 -2.257 330 HE2 PHE 49 2HE PHE 49 0.380 4.126 -0.559 331 HZ PHE 49 HZ PHE 49 -1.914 4.922 -0.967 332 H LEU 50 H LEU 50 0.778 9.019 -5.362 333 HA LEU 50 HA LEU 50 -1.395 7.202 -5.584 334 HB2 LEU 50 1HB LEU 50 -0.870 9.976 -6.584 335 HB3 LEU 50 2HB LEU 50 -2.312 9.096 -7.086 336 HG LEU 50 HG LEU 50 -1.588 9.779 -4.237 337 HD11 LEU 50 1HD1 LEU 50 -3.876 10.930 -5.784 338 HD12 LEU 50 2HD1 LEU 50 -2.271 11.655 -5.874 339 HD13 LEU 50 3HD1 LEU 50 -3.098 11.535 -4.321 340 HD21 LEU 50 1HD2 LEU 50 -3.223 8.425 -3.580 341 HD22 LEU 50 2HD2 LEU 50 -3.257 7.778 -5.220 342 HD23 LEU 50 3HD2 LEU 50 -4.341 9.095 -4.768 343 H PHE 51 H PHE 51 1.338 7.766 -7.509 344 HA PHE 51 HA PHE 51 0.066 6.761 -9.941 345 HB2 PHE 51 1HB PHE 51 1.525 8.660 -10.261 346 HB3 PHE 51 2HB PHE 51 2.840 7.845 -9.420 347 HD1 PHE 51 1HD PHE 51 3.719 5.669 -10.466 348 HD2 PHE 51 2HD PHE 51 1.337 8.505 -12.563 349 HE1 PHE 51 1HE PHE 51 4.522 4.757 -12.606 350 HE2 PHE 51 2HE PHE 51 2.136 7.598 -14.706 351 HZ PHE 51 HZ PHE 51 3.730 5.721 -14.729 352 H ILE 52 H ILE 52 2.222 5.794 -7.397 353 HA ILE 52 HA ILE 52 3.374 3.546 -8.680 354 HB ILE 52 HB ILE 52 3.000 4.183 -5.755 355 HG12 ILE 52 1HG1 ILE 52 5.607 4.093 -7.234 356 HG13 ILE 52 2HG1 ILE 52 4.574 5.511 -7.375 357 HG21 ILE 52 1HG2 ILE 52 3.554 1.675 -6.901 358 HG22 ILE 52 2HG2 ILE 52 5.076 2.276 -6.245 359 HG23 ILE 52 3HG2 ILE 52 3.661 2.137 -5.203 360 HD11 ILE 52 1HD1 ILE 52 5.117 4.548 -4.641 361 HD12 ILE 52 2HD1 ILE 52 6.470 5.260 -5.521 362 HD13 ILE 52 3HD1 ILE 52 4.995 6.192 -5.269 363 H ARG 53 H ARG 53 0.512 3.967 -6.647 364 HA ARG 53 HA ARG 53 -0.130 1.201 -6.501 365 HB2 ARG 53 1HB ARG 53 -2.094 1.856 -5.401 366 HB3 ARG 53 2HB ARG 53 -0.929 3.101 -4.972 367 HG2 ARG 53 1HG ARG 53 -2.025 4.717 -6.111 368 HG3 ARG 53 2HG ARG 53 -2.578 3.608 -7.368 369 HD2 ARG 53 1HD ARG 53 -4.569 3.955 -6.338 370 HD3 ARG 53 2HD ARG 53 -3.983 2.639 -5.321 371 HE ARG 53 HE ARG 53 -3.543 4.183 -3.611 372 HH11 ARG 53 2HH1 ARG 53 -4.872 5.695 -6.451 373 HH12 ARG 53 1HH1 ARG 53 -5.293 7.162 -5.632 374 HH21 ARG 53 2HH2 ARG 53 -4.094 6.110 -2.521 375 HH22 ARG 53 1HH2 ARG 53 -4.850 7.398 -3.397 376 H ASN 54 H ASN 54 -0.811 3.743 -8.785 377 HA ASN 54 HA ASN 54 -2.965 2.476 -10.125 378 HB2 ASN 54 1HB ASN 54 -1.085 4.714 -10.796 379 HB3 ASN 54 2HB ASN 54 -2.144 4.060 -12.042 380 HD21 ASN 54 1HD2 ASN 54 -2.052 6.689 -10.674 381 HD22 ASN 54 2HD2 ASN 54 -3.647 6.929 -10.054 382 H ARG 55 H ARG 55 0.531 2.567 -10.706 383 HA ARG 55 HA ARG 55 0.474 1.042 -13.089 384 HB2 ARG 55 1HB ARG 55 2.554 1.941 -11.170 385 HB3 ARG 55 2HB ARG 55 2.959 0.570 -12.193 386 HG2 ARG 55 1HG ARG 55 1.778 2.952 -13.502 387 HG3 ARG 55 2HG ARG 55 3.438 3.071 -12.916 388 HD2 ARG 55 1HD ARG 55 3.206 2.328 -15.299 389 HD3 ARG 55 2HD ARG 55 4.132 1.240 -14.266 390 HE ARG 55 HE ARG 55 1.733 0.128 -14.108 391 HH11 ARG 55 2HH1 ARG 55 3.442 1.371 -16.875 392 HH12 ARG 55 1HH1 ARG 55 2.707 0.265 -17.989 393 HH21 ARG 55 2HH2 ARG 55 0.760 -1.333 -15.564 394 HH22 ARG 55 1HH2 ARG 55 1.181 -1.272 -17.242 395 H THR 56 H THR 56 1.236 0.144 -9.729 396 HA THR 56 HA THR 56 1.846 -2.488 -9.965 397 HB THR 56 HB THR 56 0.042 -1.276 -7.862 398 HG1 THR 56 1HG THR 56 2.314 -0.492 -8.219 399 HG21 THR 56 1HG2 THR 56 1.717 -3.560 -7.124 400 HG22 THR 56 2HG2 THR 56 0.453 -3.953 -8.290 401 HG23 THR 56 3HG2 THR 56 0.029 -3.223 -6.742 402 H LEU 57 H LEU 57 -1.423 -1.114 -9.959 403 HA LEU 57 HA LEU 57 -2.691 -3.671 -10.260 404 HB2 LEU 57 1HB LEU 57 -3.589 -0.829 -10.246 405 HB3 LEU 57 2HB LEU 57 -4.667 -2.062 -10.897 406 HG LEU 57 HG LEU 57 -3.511 -2.174 -8.117 407 HD11 LEU 57 1HD1 LEU 57 -5.496 -1.216 -7.272 408 HD12 LEU 57 2HD1 LEU 57 -6.279 -1.259 -8.851 409 HD13 LEU 57 3HD1 LEU 57 -4.946 -0.143 -8.559 410 HD21 LEU 57 1HD2 LEU 57 -4.253 -4.308 -9.027 411 HD22 LEU 57 2HD2 LEU 57 -5.819 -3.605 -9.431 412 HD23 LEU 57 3HD2 LEU 57 -5.333 -3.765 -7.742 413 H GLN 58 H GLN 58 -1.892 -0.967 -12.393 414 HA GLN 58 HA GLN 58 -3.197 -1.722 -14.697 415 HB2 GLN 58 1HB GLN 58 -0.665 -0.241 -14.154 416 HB3 GLN 58 2HB GLN 58 -1.021 -0.705 -15.813 417 HG2 GLN 58 1HG GLN 58 -2.943 0.830 -14.088 418 HG3 GLN 58 2HG GLN 58 -1.749 1.599 -15.132 419 HE21 GLN 58 1HE2 GLN 58 -1.978 1.458 -17.366 420 HE22 GLN 58 2HE2 GLN 58 -3.471 1.003 -18.107 421 H LEU 59 H LEU 59 0.207 -2.497 -13.951 422 HA LEU 59 HA LEU 59 0.654 -4.249 -16.047 423 HB2 LEU 59 1HB LEU 59 1.816 -4.528 -13.283 424 HB3 LEU 59 2HB LEU 59 2.518 -5.093 -14.798 425 HG LEU 59 HG LEU 59 2.034 -2.172 -14.428 426 HD11 LEU 59 1HD1 LEU 59 3.457 -1.948 -12.746 427 HD12 LEU 59 2HD1 LEU 59 4.699 -2.802 -13.661 428 HD13 LEU 59 3HD1 LEU 59 3.589 -3.703 -12.627 429 HD21 LEU 59 1HD2 LEU 59 4.369 -3.554 -15.706 430 HD22 LEU 59 2HD2 LEU 59 3.741 -1.932 -16.001 431 HD23 LEU 59 3HD2 LEU 59 2.842 -3.342 -16.563 432 H TRP 60 H TRP 60 -0.821 -4.844 -12.909 433 HA TRP 60 HA TRP 60 -0.926 -7.682 -13.192 434 HB2 TRP 60 1HB TRP 60 -1.087 -7.118 -10.973 435 HB3 TRP 60 2HB TRP 60 -2.038 -5.671 -11.299 436 HD1 TRP 60 HD TRP 60 -4.684 -5.941 -11.430 437 HE1 TRP 60 1HE TRP 60 -6.274 -7.814 -10.665 438 HE3 TRP 60 3HE TRP 60 -1.263 -9.677 -10.743 439 HZ2 TRP 60 2HZ TRP 60 -6.101 -10.519 -9.874 440 HZ3 TRP 60 3HZ TRP 60 -2.058 -11.878 -9.980 441 HH2 TRP 60 HH TRP 60 -4.427 -12.287 -9.555 442 H LEU 61 H LEU 61 -2.954 -5.037 -14.178 443 HA LEU 61 HA LEU 61 -5.310 -6.580 -14.639 444 HB2 LEU 61 1HB LEU 61 -4.388 -3.829 -15.250 445 HB3 LEU 61 2HB LEU 61 -5.706 -4.477 -16.225 446 HG LEU 61 HG LEU 61 -5.764 -4.327 -13.214 447 HD11 LEU 61 1HD1 LEU 61 -7.075 -2.453 -15.172 448 HD12 LEU 61 2HD1 LEU 61 -5.592 -2.088 -14.292 449 HD13 LEU 61 3HD1 LEU 61 -7.096 -2.354 -13.411 450 HD21 LEU 61 1HD2 LEU 61 -8.320 -4.356 -14.005 451 HD22 LEU 61 2HD2 LEU 61 -7.405 -5.822 -13.654 452 HD23 LEU 61 3HD2 LEU 61 -7.602 -5.283 -15.322 453 H ASP 62 H ASP 62 -2.394 -6.045 -16.379 454 HA ASP 62 HA ASP 62 -3.546 -6.928 -18.910 455 HB2 ASP 62 1HB ASP 62 -1.915 -5.070 -18.910 456 HB3 ASP 62 2HB ASP 62 -0.698 -6.154 -18.240 457 H ASN 63 H ASN 63 -1.486 -8.071 -16.324 458 HA ASN 63 HA ASN 63 -1.550 -10.746 -17.533 459 HB2 ASN 63 1HB ASN 63 0.718 -9.370 -17.671 460 HB3 ASN 63 2HB ASN 63 0.890 -9.942 -16.014 461 HD21 ASN 63 1HD2 ASN 63 0.609 -12.299 -15.699 462 HD22 ASN 63 2HD2 ASN 63 1.232 -13.353 -16.918 463 HA PRO 64 HA PRO 64 -2.791 -10.494 -12.978 464 HB2 PRO 64 1HB PRO 64 -5.381 -11.240 -13.307 465 HB3 PRO 64 2HB PRO 64 -4.853 -9.554 -13.357 466 HG2 PRO 64 1HG PRO 64 -5.435 -11.424 -15.621 467 HG3 PRO 64 2HG PRO 64 -5.882 -9.718 -15.436 468 HD2 PRO 64 1HD PRO 64 -3.788 -10.519 -16.953 469 HD3 PRO 64 2HD PRO 64 -3.800 -8.972 -16.082 470 H LYS 65 H LYS 65 -2.319 -12.678 -15.394 471 HA LYS 65 HA LYS 65 -3.358 -15.017 -14.030 472 HB2 LYS 65 1HB LYS 65 -2.124 -16.203 -15.950 473 HB3 LYS 65 2HB LYS 65 -3.520 -15.215 -16.358 474 HG2 LYS 65 1HG LYS 65 -2.245 -13.581 -17.354 475 HG3 LYS 65 2HG LYS 65 -0.796 -14.005 -16.440 476 HD2 LYS 65 1HD LYS 65 -1.081 -16.280 -17.780 477 HD3 LYS 65 2HD LYS 65 -1.911 -15.213 -18.915 478 HE2 LYS 65 1HE LYS 65 0.211 -14.998 -19.709 479 HE3 LYS 65 2HE LYS 65 0.241 -13.720 -18.495 480 HZ1 LYS 65 1HZ LYS 65 1.358 -15.150 -16.979 481 HZ2 LYS 65 2HZ LYS 65 2.193 -15.229 -18.447 482 HZ3 LYS 65 3HZ LYS 65 1.166 -16.493 -17.989 483 H ILE 66 H ILE 66 -0.929 -13.126 -13.270 484 HA ILE 66 HA ILE 66 0.659 -15.326 -12.188 485 HB ILE 66 HB ILE 66 2.740 -14.546 -12.923 486 HG12 ILE 66 1HG1 ILE 66 1.384 -12.058 -13.985 487 HG13 ILE 66 2HG1 ILE 66 2.284 -12.143 -12.475 488 HG21 ILE 66 1HG2 ILE 66 1.657 -15.716 -14.692 489 HG22 ILE 66 2HG2 ILE 66 0.752 -14.280 -15.168 490 HG23 ILE 66 3HG2 ILE 66 2.498 -14.342 -15.409 491 HD11 ILE 66 1HD1 ILE 66 3.262 -11.544 -15.022 492 HD12 ILE 66 2HD1 ILE 66 4.187 -11.789 -13.540 493 HD13 ILE 66 3HD1 ILE 66 3.886 -13.145 -14.627 494 H GLN 67 H GLN 67 1.922 -14.752 -10.349 495 HA GLN 67 HA GLN 67 0.687 -12.753 -8.720 496 HB2 GLN 67 1HB GLN 67 1.957 -13.607 -6.948 497 HB3 GLN 67 2HB GLN 67 1.676 -15.005 -7.977 498 HG2 GLN 67 1HG GLN 67 4.190 -13.353 -7.885 499 HG3 GLN 67 2HG GLN 67 3.964 -14.946 -7.166 500 HE21 GLN 67 1HE2 GLN 67 5.199 -13.356 -9.748 501 HE22 GLN 67 2HE2 GLN 67 5.204 -14.636 -10.908 502 H LEU 68 H LEU 68 1.244 -10.693 -8.475 503 HA LEU 68 HA LEU 68 3.633 -9.709 -9.812 504 HB2 LEU 68 1HB LEU 68 1.361 -8.639 -10.033 505 HB3 LEU 68 2HB LEU 68 1.536 -8.111 -8.361 506 HG LEU 68 HG LEU 68 3.602 -6.871 -9.073 507 HD11 LEU 68 1HD1 LEU 68 2.619 -7.049 -11.877 508 HD12 LEU 68 2HD1 LEU 68 3.662 -8.327 -11.253 509 HD13 LEU 68 3HD1 LEU 68 4.226 -6.656 -11.265 510 HD21 LEU 68 1HD2 LEU 68 0.894 -6.196 -9.292 511 HD22 LEU 68 2HD2 LEU 68 1.666 -5.563 -10.746 512 HD23 LEU 68 3HD2 LEU 68 2.267 -5.099 -9.154 513 H THR 69 H THR 69 5.387 -10.151 -8.566 514 HA THR 69 HA THR 69 5.421 -9.878 -5.731 515 HB THR 69 HB THR 69 7.811 -10.274 -5.871 516 HG1 THR 69 1HG THR 69 7.777 -8.962 -8.038 517 HG21 THR 69 1HG2 THR 69 6.164 -11.938 -7.772 518 HG22 THR 69 2HG2 THR 69 6.498 -12.255 -6.069 519 HG23 THR 69 3HG2 THR 69 7.794 -12.374 -7.260 520 H PHE 70 H PHE 70 7.458 -8.525 -4.862 521 HA PHE 70 HA PHE 70 6.712 -5.785 -5.246 522 HB2 PHE 70 1HB PHE 70 7.297 -6.265 -3.037 523 HB3 PHE 70 2HB PHE 70 8.703 -7.212 -3.513 524 HD1 PHE 70 2HD PHE 70 7.380 -3.812 -3.079 525 HD2 PHE 70 1HD PHE 70 10.817 -6.186 -3.897 526 HE1 PHE 70 2HE PHE 70 8.818 -1.847 -2.722 527 HE2 PHE 70 1HE PHE 70 12.260 -4.225 -3.540 528 HZ PHE 70 HZ PHE 70 11.261 -2.052 -2.953 529 H GLU 71 H GLU 71 9.472 -7.799 -6.119 530 HA GLU 71 HA GLU 71 11.172 -5.779 -7.057 531 HB2 GLU 71 1HB GLU 71 10.933 -8.713 -7.482 532 HB3 GLU 71 2HB GLU 71 11.914 -7.809 -8.627 533 HG2 GLU 71 1HG GLU 71 12.330 -7.495 -5.684 534 HG3 GLU 71 2HG GLU 71 13.036 -8.852 -6.558 535 H ALA 72 H ALA 72 9.137 -7.972 -9.005 536 HA ALA 72 HA ALA 72 9.454 -6.864 -11.474 537 HB1 ALA 72 1HB ALA 72 7.417 -7.864 -12.118 538 HB2 ALA 72 2HB ALA 72 8.068 -8.883 -10.834 539 HB3 ALA 72 3HB ALA 72 6.758 -7.755 -10.486 540 H THR 73 H THR 73 6.902 -5.925 -9.163 541 HA THR 73 HA THR 73 5.763 -3.864 -10.596 542 HB THR 73 HB THR 73 6.165 -3.972 -7.600 543 HG1 THR 73 1HG THR 73 4.797 -5.572 -7.792 544 HG21 THR 73 1HG2 THR 73 4.719 -2.113 -9.380 545 HG22 THR 73 2HG2 THR 73 5.376 -1.856 -7.764 546 HG23 THR 73 3HG2 THR 73 3.828 -2.675 -7.966 547 H LEU 74 H LEU 74 8.624 -3.781 -8.521 548 HA LEU 74 HA LEU 74 9.015 -0.977 -8.658 549 HB2 LEU 74 1HB LEU 74 10.062 -2.102 -6.882 550 HB3 LEU 74 2HB LEU 74 10.793 -3.291 -7.958 551 HG LEU 74 HG LEU 74 12.082 -1.196 -8.882 552 HD11 LEU 74 1HD1 LEU 74 10.782 0.392 -7.484 553 HD12 LEU 74 2HD1 LEU 74 12.525 0.487 -7.233 554 HD13 LEU 74 3HD1 LEU 74 11.507 -0.337 -6.051 555 HD21 LEU 74 1HD2 LEU 74 13.574 -1.606 -6.635 556 HD22 LEU 74 2HD2 LEU 74 13.582 -2.642 -8.062 557 HD23 LEU 74 3HD2 LEU 74 12.571 -3.057 -6.677 558 H GLN 75 H GLN 75 10.746 -3.641 -10.285 559 HA GLN 75 HA GLN 75 12.398 -2.179 -11.914 560 HB2 GLN 75 1HB GLN 75 10.965 -4.763 -12.548 561 HB3 GLN 75 2HB GLN 75 12.299 -4.112 -13.493 562 HG2 GLN 75 1HG GLN 75 13.575 -4.131 -11.240 563 HG3 GLN 75 2HG GLN 75 12.319 -5.261 -10.738 564 HE21 GLN 75 1HE2 GLN 75 14.921 -4.699 -13.010 565 HE22 GLN 75 2HE2 GLN 75 15.171 -6.357 -13.428 566 H GLN 76 H GLN 76 9.081 -3.231 -12.660 567 HA GLN 76 HA GLN 76 8.935 -2.038 -15.199 568 HB2 GLN 76 1HB GLN 76 6.744 -2.689 -13.223 569 HB3 GLN 76 2HB GLN 76 6.465 -2.216 -14.894 570 HG2 GLN 76 1HG GLN 76 7.258 -4.203 -15.734 571 HG3 GLN 76 2HG GLN 76 8.237 -4.538 -14.307 572 HE21 GLN 76 1HE2 GLN 76 6.642 -4.494 -12.248 573 HE22 GLN 76 2HE2 GLN 76 5.329 -5.606 -12.402 574 H LEU 77 H LEU 77 8.283 -0.796 -11.976 575 HA LEU 77 HA LEU 77 6.987 1.583 -12.689 576 HB2 LEU 77 1HB LEU 77 8.439 0.572 -10.324 577 HB3 LEU 77 2HB LEU 77 8.274 2.322 -10.449 578 HG LEU 77 HG LEU 77 5.848 0.603 -10.729 579 HD11 LEU 77 1HD1 LEU 77 5.762 -0.035 -8.596 580 HD12 LEU 77 2HD1 LEU 77 6.322 1.534 -8.016 581 HD13 LEU 77 3HD1 LEU 77 7.489 0.320 -8.537 582 HD21 LEU 77 1HD2 LEU 77 6.485 3.399 -10.446 583 HD22 LEU 77 2HD2 LEU 77 5.389 2.871 -9.169 584 HD23 LEU 77 3HD2 LEU 77 4.952 2.632 -10.861 585 H GLU 78 H GLU 78 7.862 3.789 -12.538 586 HA GLU 78 HA GLU 78 10.658 3.958 -13.445 587 HB2 GLU 78 1HB GLU 78 10.003 5.756 -14.990 588 HB3 GLU 78 2HB GLU 78 9.202 4.239 -15.375 589 HG2 GLU 78 1HG GLU 78 7.172 5.029 -14.273 590 HG3 GLU 78 2HG GLU 78 7.975 6.549 -13.885 591 H ALA 79 H ALA 79 11.850 5.183 -12.157 592 HA ALA 79 HA ALA 79 11.044 6.498 -9.906 593 HB1 ALA 79 1HB ALA 79 13.195 7.125 -9.681 594 HB2 ALA 79 2HB ALA 79 13.437 6.069 -11.073 595 HB3 ALA 79 3HB ALA 79 13.277 7.810 -11.304 596 HA PRO 80 HA PRO 80 12.000 8.431 -8.787 597 HB2 PRO 80 1HB PRO 80 10.403 9.916 -7.169 598 HB3 PRO 80 2HB PRO 80 11.700 10.617 -8.145 599 HG2 PRO 80 1HG PRO 80 8.759 10.512 -8.696 600 HG3 PRO 80 2HG PRO 80 9.892 11.858 -8.921 601 HD2 PRO 80 1HD PRO 80 9.069 10.289 -10.968 602 HD3 PRO 80 2HD PRO 80 10.686 11.021 -10.917 603 H TYR 81 H TYR 81 8.861 7.699 -9.831 604 HA TYR 81 HA TYR 81 7.445 6.749 -7.733 605 HB2 TYR 81 1HB TYR 81 7.836 5.133 -10.255 606 HB3 TYR 81 2HB TYR 81 6.423 5.153 -9.205 607 HD1 TYR 81 1HD TYR 81 6.391 8.216 -8.846 608 HD2 TYR 81 2HD TYR 81 6.689 5.712 -12.273 609 HE1 TYR 81 1HE TYR 81 5.390 9.991 -10.223 610 HE2 TYR 81 2HE TYR 81 5.690 7.481 -13.659 611 HH TYR 81 HH TYR 81 5.191 10.692 -12.463 612 H ASN 82 H ASN 82 10.027 4.942 -9.392 613 HA ASN 82 HA ASN 82 9.954 2.832 -7.425 614 HB2 ASN 82 1HB ASN 82 11.583 1.733 -8.755 615 HB3 ASN 82 2HB ASN 82 10.496 2.524 -9.893 616 HD21 ASN 82 1HD2 ASN 82 11.595 3.248 -11.555 617 HD22 ASN 82 2HD2 ASN 82 13.125 4.047 -11.498 618 H SER 83 H SER 83 11.880 5.671 -8.106 619 HA SER 83 HA SER 83 14.215 5.368 -6.841 620 HB2 SER 83 1HB SER 83 13.464 7.523 -7.742 621 HB3 SER 83 2HB SER 83 12.341 7.706 -6.395 622 HG SER 83 HG SER 83 14.731 8.597 -6.430 623 H ASP 84 H ASP 84 11.202 6.139 -5.100 624 HA ASP 84 HA ASP 84 12.476 5.546 -2.557 625 HB2 ASP 84 1HB ASP 84 9.577 6.249 -3.020 626 HB3 ASP 84 2HB ASP 84 10.503 6.407 -1.529 627 H THR 85 H THR 85 12.871 3.294 -2.964 628 HA THR 85 HA THR 85 11.007 1.371 -3.644 629 HB THR 85 HB THR 85 12.418 -0.217 -2.261 630 HG1 THR 85 1HG THR 85 13.364 0.957 -0.706 631 HG21 THR 85 1HG2 THR 85 14.104 1.508 -4.055 632 HG22 THR 85 2HG2 THR 85 12.816 0.486 -4.692 633 HG23 THR 85 3HG2 THR 85 14.170 -0.238 -3.827 634 H VAL 86 H VAL 86 11.809 2.599 -0.406 635 HA VAL 86 HA VAL 86 10.299 0.997 1.198 636 HB VAL 86 HB VAL 86 11.721 3.023 1.856 637 HG11 VAL 86 1HG1 VAL 86 10.732 5.135 2.045 638 HG12 VAL 86 2HG1 VAL 86 10.247 4.569 0.445 639 HG13 VAL 86 3HG1 VAL 86 9.108 4.497 1.790 640 HG21 VAL 86 1HG2 VAL 86 9.126 2.302 3.186 641 HG22 VAL 86 2HG2 VAL 86 10.754 1.754 3.583 642 HG23 VAL 86 3HG2 VAL 86 10.277 3.418 3.920 643 H LEU 87 H LEU 87 9.155 3.663 -0.812 644 HA LEU 87 HA LEU 87 6.467 3.572 0.141 645 HB2 LEU 87 1HB LEU 87 7.727 5.480 -1.063 646 HB3 LEU 87 2HB LEU 87 7.269 4.637 -2.542 647 HG LEU 87 HG LEU 87 4.903 4.908 -1.957 648 HD11 LEU 87 1HD1 LEU 87 5.028 4.921 0.441 649 HD12 LEU 87 2HD1 LEU 87 4.306 6.436 -0.100 650 HD13 LEU 87 3HD1 LEU 87 5.989 6.399 0.426 651 HD21 LEU 87 1HD2 LEU 87 5.076 7.572 -1.890 652 HD22 LEU 87 2HD2 LEU 87 5.422 6.628 -3.339 653 HD23 LEU 87 3HD2 LEU 87 6.745 7.196 -2.319 654 H VAL 88 H VAL 88 8.134 2.261 -2.696 655 HA VAL 88 HA VAL 88 5.871 1.178 -3.969 656 HB VAL 88 HB VAL 88 8.756 0.291 -4.090 657 HG11 VAL 88 1HG1 VAL 88 7.657 -1.564 -4.911 658 HG12 VAL 88 2HG1 VAL 88 6.321 -0.614 -5.566 659 HG13 VAL 88 3HG1 VAL 88 7.889 -0.610 -6.375 660 HG21 VAL 88 1HG2 VAL 88 9.112 1.906 -5.599 661 HG22 VAL 88 2HG2 VAL 88 7.566 1.628 -6.399 662 HG23 VAL 88 3HG2 VAL 88 7.642 2.639 -4.956 663 H HIS 89 H HIS 89 7.902 -0.002 -1.380 664 HA HIS 89 HA HIS 89 6.910 -2.691 -1.464 665 HB2 HIS 89 1HB HIS 89 9.120 -2.244 -0.552 666 HB3 HIS 89 2HB HIS 89 8.429 -1.196 0.684 667 HD1 HIS 89 1HD HIS 89 9.639 -4.512 0.254 668 HD2 HIS 89 2HD HIS 89 6.510 -2.803 2.386 669 HE1 HIS 89 1HE HIS 89 9.024 -6.200 2.014 670 HE2 HIS 89 2HE HIS 89 7.072 -5.179 3.237 671 H ARG 90 H ARG 90 6.077 0.257 0.241 672 HA ARG 90 HA ARG 90 4.255 -1.031 2.052 673 HB2 ARG 90 1HB ARG 90 4.684 1.878 1.355 674 HB3 ARG 90 2HB ARG 90 3.579 1.316 2.602 675 HG2 ARG 90 1HG ARG 90 5.280 0.669 4.011 676 HG3 ARG 90 2HG ARG 90 6.442 0.487 2.695 677 HD2 ARG 90 1HD ARG 90 6.619 2.869 2.448 678 HD3 ARG 90 2HD ARG 90 5.314 3.130 3.604 679 HE ARG 90 HE ARG 90 7.342 1.678 4.872 680 HH11 ARG 90 2HH1 ARG 90 6.780 4.844 3.537 681 HH12 ARG 90 1HH1 ARG 90 7.887 5.636 4.609 682 HH21 ARG 90 2HH2 ARG 90 8.802 2.709 6.289 683 HH22 ARG 90 1HH2 ARG 90 9.037 4.420 6.174 684 H VAL 91 H VAL 91 3.969 0.875 -0.920 685 HA VAL 91 HA VAL 91 1.158 0.989 -0.996 686 HB VAL 91 HB VAL 91 3.171 1.099 -3.243 687 HG11 VAL 91 1HG1 VAL 91 0.339 0.806 -3.372 688 HG12 VAL 91 2HG1 VAL 91 0.771 2.422 -3.934 689 HG13 VAL 91 3HG1 VAL 91 1.493 1.001 -4.691 690 HG21 VAL 91 1HG2 VAL 91 1.618 3.322 -1.928 691 HG22 VAL 91 2HG2 VAL 91 3.272 2.885 -1.501 692 HG23 VAL 91 3HG2 VAL 91 2.907 3.477 -3.122 693 H HIS 92 H HIS 92 3.380 -1.140 -2.805 694 HA HIS 92 HA HIS 92 1.540 -2.738 -4.071 695 HB2 HIS 92 1HB HIS 92 4.032 -2.825 -4.350 696 HB3 HIS 92 2HB HIS 92 4.118 -3.744 -2.850 697 HD1 HIS 92 1HD HIS 92 2.908 -6.134 -2.902 698 HD2 HIS 92 2HD HIS 92 3.498 -4.306 -6.586 699 HE1 HIS 92 1HE HIS 92 2.624 -7.957 -4.611 700 HE2 HIS 92 2HE HIS 92 3.069 -6.845 -6.826 701 H SER 93 H SER 93 2.488 -2.765 -0.714 702 HA SER 93 HA SER 93 1.390 -5.301 -0.055 703 HB2 SER 93 1HB SER 93 3.073 -3.834 1.278 704 HB3 SER 93 2HB SER 93 1.632 -3.045 1.919 705 HG SER 93 HG SER 93 1.891 -4.657 3.310 706 H TYR 94 H TYR 94 0.209 -2.025 0.732 707 HA TYR 94 HA TYR 94 -2.209 -2.573 1.807 708 HB2 TYR 94 1HB TYR 94 -1.825 -0.312 1.724 709 HB3 TYR 94 2HB TYR 94 -1.233 -0.363 0.067 710 HD1 TYR 94 2HD TYR 94 -2.863 -0.490 -1.816 711 HD2 TYR 94 1HD TYR 94 -4.112 0.131 2.204 712 HE1 TYR 94 2HE TYR 94 -5.042 0.314 -2.624 713 HE2 TYR 94 1HE TYR 94 -6.295 0.936 1.407 714 HH TYR 94 HH TYR 94 -6.973 2.068 -1.271 715 H LEU 95 H LEU 95 -1.387 -2.708 -1.613 716 HA LEU 95 HA LEU 95 -4.044 -3.150 -2.535 717 HB2 LEU 95 1HB LEU 95 -1.358 -3.682 -3.788 718 HB3 LEU 95 2HB LEU 95 -2.891 -3.927 -4.622 719 HG LEU 95 HG LEU 95 -1.974 -1.269 -3.535 720 HD11 LEU 95 1HD1 LEU 95 -1.757 -2.395 -6.322 721 HD12 LEU 95 2HD1 LEU 95 -0.427 -1.962 -5.249 722 HD13 LEU 95 3HD1 LEU 95 -1.488 -0.707 -5.888 723 HD21 LEU 95 1HD2 LEU 95 -3.720 -0.418 -5.080 724 HD22 LEU 95 2HD2 LEU 95 -4.362 -1.401 -3.764 725 HD23 LEU 95 3HD2 LEU 95 -4.211 -2.085 -5.384 726 H GLU 96 H GLU 96 -1.271 -5.398 -2.550 727 HA GLU 96 HA GLU 96 -2.707 -7.718 -3.017 728 HB2 GLU 96 1HB GLU 96 -0.279 -7.639 -3.164 729 HB3 GLU 96 2HB GLU 96 -0.158 -7.366 -1.431 730 HG2 GLU 96 1HG GLU 96 -1.411 -9.832 -2.595 731 HG3 GLU 96 2HG GLU 96 0.313 -9.708 -2.250 732 H ARG 97 H ARG 97 -1.543 -6.559 0.152 733 HA ARG 97 HA ARG 97 -2.589 -8.410 1.826 734 HB2 ARG 97 1HB ARG 97 -2.438 -5.419 2.138 735 HB3 ARG 97 2HB ARG 97 -3.000 -6.459 3.440 736 HG2 ARG 97 1HG ARG 97 -0.331 -6.791 2.098 737 HG3 ARG 97 2HG ARG 97 -0.583 -5.807 3.541 738 HD2 ARG 97 1HD ARG 97 -1.359 -8.710 3.374 739 HD3 ARG 97 2HD ARG 97 0.225 -8.170 3.930 740 HE ARG 97 HE ARG 97 -2.288 -7.964 5.349 741 HH11 ARG 97 2HH1 ARG 97 1.018 -6.900 5.099 742 HH12 ARG 97 1HH1 ARG 97 1.111 -6.377 6.749 743 HH21 ARG 97 2HH2 ARG 97 -2.177 -7.280 7.522 744 HH22 ARG 97 1HH2 ARG 97 -0.706 -6.595 8.126 745 H HIS 98 H HIS 98 -4.369 -5.573 0.612 746 HA HIS 98 HA HIS 98 -6.820 -6.199 1.835 747 HB2 HIS 98 1HB HIS 98 -6.117 -4.537 -0.580 748 HB3 HIS 98 2HB HIS 98 -7.776 -4.708 -0.014 749 HD1 HIS 98 1HD HIS 98 -8.006 -2.253 0.661 750 HD2 HIS 98 2HD HIS 98 -4.867 -4.210 2.553 751 HE1 HIS 98 1HE HIS 98 -7.250 -0.700 2.489 752 HE2 HIS 98 2HE HIS 98 -5.295 -1.868 3.565 753 H GLY 99 H GLY 99 -5.447 -7.105 -1.287 754 HA2 GLY 99 1HA GLY 99 -6.023 -9.300 -2.170 755 HA3 GLY 99 2HA GLY 99 -7.660 -9.037 -1.586 756 H LEU 100 H LEU 100 -5.705 -6.654 -3.283 757 HA LEU 100 HA LEU 100 -7.747 -6.576 -5.381 758 HB2 LEU 100 1HB LEU 100 -5.519 -4.600 -5.017 759 HB3 LEU 100 2HB LEU 100 -7.057 -4.381 -5.851 760 HG LEU 100 HG LEU 100 -6.400 -4.146 -2.970 761 HD11 LEU 100 1HD1 LEU 100 -8.100 -2.729 -4.988 762 HD12 LEU 100 2HD1 LEU 100 -6.759 -2.108 -4.026 763 HD13 LEU 100 3HD1 LEU 100 -8.310 -2.447 -3.259 764 HD21 LEU 100 1HD2 LEU 100 -8.792 -5.543 -4.024 765 HD22 LEU 100 2HD2 LEU 100 -9.041 -4.373 -2.728 766 HD23 LEU 100 3HD2 LEU 100 -7.948 -5.737 -2.487 767 H ILE 101 H ILE 101 -4.577 -7.648 -4.809 768 HA ILE 101 HA ILE 101 -4.240 -8.194 -7.669 769 HB ILE 101 HB ILE 101 -1.855 -7.651 -7.572 770 HG12 ILE 101 1HG1 ILE 101 -2.327 -6.295 -4.929 771 HG13 ILE 101 2HG1 ILE 101 -1.818 -7.978 -5.002 772 HG21 ILE 101 1HG2 ILE 101 -3.999 -5.688 -7.254 773 HG22 ILE 101 2HG2 ILE 101 -2.389 -5.057 -6.908 774 HG23 ILE 101 3HG2 ILE 101 -2.729 -5.796 -8.473 775 HD11 ILE 101 1HD1 ILE 101 -0.321 -5.700 -6.271 776 HD12 ILE 101 2HD1 ILE 101 0.036 -6.375 -4.680 777 HD13 ILE 101 3HD1 ILE 101 0.208 -7.376 -6.122 778 H ASN 102 H ASN 102 -3.208 -10.109 -8.152 779 HA ASN 102 HA ASN 102 -2.467 -12.239 -7.856 780 HB2 ASN 102 1HB ASN 102 -1.497 -11.303 -5.149 781 HB3 ASN 102 2HB ASN 102 -0.923 -12.700 -6.056 782 HD21 ASN 102 1HD2 ASN 102 1.141 -11.547 -5.597 783 HD22 ASN 102 2HD2 ASN 102 1.672 -10.379 -6.754 784 H PHE 103 H PHE 103 -5.058 -12.103 -7.525 785 HA PHE 103 HA PHE 103 -5.624 -13.643 -5.077 786 HB2 PHE 103 1HB PHE 103 -8.011 -12.807 -5.401 787 HB3 PHE 103 2HB PHE 103 -6.829 -11.616 -4.866 788 HD1 PHE 103 1HD PHE 103 -7.949 -12.993 -8.154 789 HD2 PHE 103 2HD PHE 103 -7.129 -9.549 -5.791 790 HE1 PHE 103 1HE PHE 103 -8.552 -11.551 -10.054 791 HE2 PHE 103 2HE PHE 103 -7.732 -8.101 -7.687 792 HZ PHE 103 HZ PHE 103 -8.445 -9.102 -9.822 793 H GLY 104 H GLY 104 -4.713 -14.632 -7.679 794 HA2 GLY 104 1HA GLY 104 -6.249 -16.910 -7.940 795 HA3 GLY 104 2HA GLY 104 -6.927 -15.758 -9.081 796 H ILE 105 H ILE 105 -3.654 -16.768 -8.077 797 HA ILE 105 HA ILE 105 -3.049 -17.295 -10.904 798 HB ILE 105 HB ILE 105 -0.847 -16.287 -10.687 799 HG12 ILE 105 1HG1 ILE 105 -0.594 -16.675 -8.242 800 HG13 ILE 105 2HG1 ILE 105 -0.180 -15.034 -8.724 801 HG21 ILE 105 1HG2 ILE 105 -1.927 -13.872 -9.930 802 HG22 ILE 105 2HG2 ILE 105 -1.972 -14.565 -11.550 803 HG23 ILE 105 3HG2 ILE 105 -3.334 -14.797 -10.453 804 HD11 ILE 105 1HD1 ILE 105 -2.871 -14.901 -8.090 805 HD12 ILE 105 2HD1 ILE 105 -2.177 -15.964 -6.865 806 HD13 ILE 105 3HD1 ILE 105 -1.520 -14.345 -7.104 807 H TYR 106 H TYR 106 -2.221 -17.817 -7.517 808 HA TYR 106 HA TYR 106 -0.797 -20.275 -8.292 809 HB2 TYR 106 1HB TYR 106 0.073 -20.062 -5.844 810 HB3 TYR 106 2HB TYR 106 0.765 -19.037 -7.096 811 HD1 TYR 106 1HD TYR 106 -1.878 -19.045 -4.466 812 HD2 TYR 106 2HD TYR 106 0.833 -16.732 -6.792 813 HE1 TYR 106 1HE TYR 106 -2.452 -17.052 -3.143 814 HE2 TYR 106 2HE TYR 106 0.267 -14.734 -5.475 815 HH TYR 106 HH TYR 106 -2.187 -14.202 -3.902 816 H LYS 107 H LYS 107 -0.812 -21.744 -6.082 817 HA LYS 107 HA LYS 107 -3.647 -22.389 -5.740 818 HB2 LYS 107 1HB LYS 107 -2.730 -24.547 -4.796 819 HB3 LYS 107 2HB LYS 107 -2.385 -24.255 -6.496 820 HG2 LYS 107 1HG LYS 107 -0.141 -23.834 -6.102 821 HG3 LYS 107 2HG LYS 107 -0.406 -23.481 -4.392 822 HD2 LYS 107 1HD LYS 107 0.544 -25.584 -4.299 823 HD3 LYS 107 2HD LYS 107 -1.179 -25.969 -4.284 824 HE2 LYS 107 1HE LYS 107 -0.290 -27.445 -5.856 825 HE3 LYS 107 2HE LYS 107 -0.958 -26.140 -6.835 826 HZ1 LYS 107 1HZ LYS 107 1.682 -25.481 -6.211 827 HZ2 LYS 107 2HZ LYS 107 1.032 -25.855 -7.726 828 HZ3 LYS 107 3HZ LYS 107 1.681 -27.082 -6.759 829 H ARG 108 H ARG 108 -4.140 -20.771 -4.201 830 HA ARG 108 HA ARG 108 -3.077 -21.344 -1.515 831 HB2 ARG 108 1HB ARG 108 -3.394 -18.756 -2.937 832 HB3 ARG 108 2HB ARG 108 -3.802 -18.779 -1.227 833 HG2 ARG 108 1HG ARG 108 -1.180 -19.798 -2.280 834 HG3 ARG 108 2HG ARG 108 -1.440 -18.115 -1.815 835 HD2 ARG 108 1HD ARG 108 -0.665 -18.910 0.170 836 HD3 ARG 108 2HD ARG 108 -2.377 -19.271 0.383 837 HE ARG 108 HE ARG 108 -1.330 -21.506 -0.798 838 HH11 ARG 108 2HH1 ARG 108 -0.664 -19.683 2.092 839 HH12 ARG 108 1HH1 ARG 108 -0.098 -21.056 2.984 840 HH21 ARG 108 2HH2 ARG 108 -0.587 -23.321 0.366 841 HH22 ARG 108 1HH2 ARG 108 -0.053 -23.125 2.001 842 H ILE 109 H ILE 109 -4.608 -20.324 0.200 843 HA ILE 109 HA ILE 109 -6.960 -21.695 0.300 844 HB ILE 109 HB ILE 109 -6.625 -18.945 1.494 845 HG12 ILE 109 1HG1 ILE 109 -4.665 -20.200 2.087 846 HG13 ILE 109 2HG1 ILE 109 -5.734 -20.193 3.486 847 HG21 ILE 109 1HG2 ILE 109 -8.034 -20.022 3.313 848 HG22 ILE 109 2HG2 ILE 109 -8.846 -19.662 1.790 849 HG23 ILE 109 3HG2 ILE 109 -8.350 -21.314 2.155 850 HD11 ILE 109 1HD1 ILE 109 -6.487 -22.448 2.906 851 HD12 ILE 109 2HD1 ILE 109 -5.382 -22.451 1.531 852 HD13 ILE 109 3HD1 ILE 109 -4.745 -22.374 3.173 853 H LYS 110 H LYS 110 -8.565 -21.724 -1.126 854 HA LYS 110 HA LYS 110 -10.177 -19.458 -1.620 855 HB2 LYS 110 1HB LYS 110 -8.484 -18.715 -3.129 856 HB3 LYS 110 2HB LYS 110 -8.316 -20.318 -3.833 857 HG2 LYS 110 1HG LYS 110 -10.830 -19.969 -4.472 858 HG3 LYS 110 2HG LYS 110 -10.425 -18.263 -4.273 859 HD2 LYS 110 1HD LYS 110 -8.788 -18.350 -5.969 860 HD3 LYS 110 2HD LYS 110 -8.778 -20.115 -5.976 861 HE2 LYS 110 1HE LYS 110 -9.967 -19.399 -7.912 862 HE3 LYS 110 2HE LYS 110 -11.150 -20.039 -6.772 863 HZ1 LYS 110 1HZ LYS 110 -12.141 -18.064 -6.589 864 HZ2 LYS 110 2HZ LYS 110 -11.310 -17.639 -7.999 865 HZ3 LYS 110 3HZ LYS 110 -10.682 -17.214 -6.487 866 HA PRO 111 HA PRO 111 -12.986 -22.755 -2.407 867 HB2 PRO 111 1HB PRO 111 -15.000 -21.338 -3.551 868 HB3 PRO 111 2HB PRO 111 -14.647 -21.280 -1.820 869 HG2 PRO 111 1HG PRO 111 -13.876 -19.351 -3.975 870 HG3 PRO 111 2HG PRO 111 -14.483 -19.020 -2.343 871 HD2 PRO 111 1HD PRO 111 -11.857 -18.858 -2.981 872 HD3 PRO 111 2HD PRO 111 -12.420 -19.353 -1.371 873 H LEU 112 H LEU 112 -12.763 -24.233 -3.956 874 HA LEU 112 HA LEU 112 -11.640 -24.124 -6.366 875 HB2 LEU 112 1HB LEU 112 -14.226 -25.618 -6.074 876 HB3 LEU 112 2HB LEU 112 -12.803 -26.063 -7.012 877 HG LEU 112 HG LEU 112 -13.048 -26.102 -4.005 878 HD11 LEU 112 1HD1 LEU 112 -12.514 -28.602 -4.592 879 HD12 LEU 112 2HD1 LEU 112 -13.236 -28.168 -6.141 880 HD13 LEU 112 3HD1 LEU 112 -14.168 -27.991 -4.654 881 HD21 LEU 112 1HD2 LEU 112 -10.754 -25.740 -5.535 882 HD22 LEU 112 2HD2 LEU 112 -10.764 -27.459 -5.140 883 HD23 LEU 112 3HD2 LEU 112 -10.835 -26.258 -3.851 884 HA PRO 113 HA PRO 113 -13.899 -21.481 -9.058 885 HB2 PRO 113 1HB PRO 113 -13.210 -22.561 -11.452 886 HB3 PRO 113 2HB PRO 113 -12.090 -21.609 -10.470 887 HG2 PRO 113 1HG PRO 113 -12.331 -24.582 -10.722 888 HG3 PRO 113 2HG PRO 113 -10.871 -23.577 -10.682 889 HD2 PRO 113 1HD PRO 113 -11.764 -24.938 -8.518 890 HD3 PRO 113 2HD PRO 113 -10.915 -23.384 -8.386 891 H THR 114 H THR 114 -15.245 -21.797 -11.241 892 HA THR 114 HA THR 114 -16.910 -24.187 -11.136 893 HB THR 114 HB THR 114 -17.996 -22.610 -9.571 894 HG1 THR 114 1HG THR 114 -19.407 -23.958 -10.619 895 HG21 THR 114 1HG2 THR 114 -17.182 -20.623 -11.171 896 HG22 THR 114 2HG2 THR 114 -18.560 -20.465 -10.082 897 HG23 THR 114 3HG2 THR 114 -18.821 -20.825 -11.788 898 H LYS 115 H LYS 115 -17.187 -24.871 -13.146 899 HA LYS 115 HA LYS 115 -16.299 -23.755 -15.445 900 HB2 LYS 115 1HB LYS 115 -18.604 -25.598 -14.915 901 HB3 LYS 115 2HB LYS 115 -18.285 -25.044 -16.554 902 HG2 LYS 115 1HG LYS 115 -17.037 -26.921 -16.612 903 HG3 LYS 115 2HG LYS 115 -15.826 -25.855 -15.897 904 HD2 LYS 115 1HD LYS 115 -16.626 -26.604 -13.643 905 HD3 LYS 115 2HD LYS 115 -17.634 -27.797 -14.465 906 HE2 LYS 115 1HE LYS 115 -15.825 -29.041 -15.162 907 HE3 LYS 115 2HE LYS 115 -14.722 -27.667 -15.097 908 HZ1 LYS 115 1HZ LYS 115 -15.036 -29.632 -13.194 909 HZ2 LYS 115 2HZ LYS 115 -15.757 -28.258 -12.521 910 HZ3 LYS 115 3HZ LYS 115 -14.147 -28.201 -13.038 911 H LYS 116 H LYS 116 -17.177 -22.540 -17.156 912 HA LYS 116 HA LYS 116 -18.374 -20.183 -16.634 913 HB2 LYS 116 1HB LYS 116 -18.310 -21.904 -19.060 914 HB3 LYS 116 2HB LYS 116 -19.408 -20.531 -19.073 915 HG2 LYS 116 1HG LYS 116 -16.523 -20.206 -18.338 916 HG3 LYS 116 2HG LYS 116 -17.054 -20.211 -20.021 917 HD2 LYS 116 1HD LYS 116 -18.799 -18.449 -19.089 918 HD3 LYS 116 2HD LYS 116 -17.541 -18.212 -17.874 919 HE2 LYS 116 1HE LYS 116 -16.047 -17.369 -19.389 920 HE3 LYS 116 2HE LYS 116 -16.743 -18.264 -20.738 921 HZ1 LYS 116 1HZ LYS 116 -18.432 -16.229 -19.524 922 HZ2 LYS 116 2HZ LYS 116 -18.245 -16.651 -21.151 923 HZ3 LYS 116 3HZ LYS 116 -17.096 -15.666 -20.396 924 H THR 117 H THR 117 -20.124 -23.139 -17.561 925 HA THR 117 HA THR 117 -22.695 -22.282 -17.669 926 HB THR 117 HB THR 117 -23.392 -24.493 -16.742 927 HG1 THR 117 1HG THR 117 -21.080 -24.390 -15.532 928 HG21 THR 117 1HG2 THR 117 -22.797 -24.226 -19.118 929 HG22 THR 117 2HG2 THR 117 -22.390 -25.832 -18.513 930 HG23 THR 117 3HG2 THR 117 -21.124 -24.625 -18.732 931 H GLY 118 H GLY 118 -24.468 -22.276 -16.133 932 HA2 GLY 118 1HA GLY 118 -24.168 -20.599 -13.996 933 HA3 GLY 118 2HA GLY 118 -25.469 -21.775 -14.119 934 H SER 119 H SER 119 -23.303 -20.699 -12.037 935 HA SER 119 HA SER 119 -21.768 -22.734 -11.061 936 HB2 SER 119 1HB SER 119 -21.722 -21.605 -8.995 937 HB3 SER 119 2HB SER 119 -22.073 -20.333 -10.165 938 HG SER 119 HG SER 119 -24.236 -20.434 -9.576 939 H GLY 120 H GLY 120 -22.031 -24.510 -9.752 940 HA2 GLY 120 1HA GLY 120 -23.252 -25.962 -8.329 941 HA3 GLY 120 2HA GLY 120 -24.738 -25.187 -8.856 942 HA PRO 121 HA PRO 121 -24.432 -29.278 -10.997 943 HB2 PRO 121 1HB PRO 121 -27.024 -29.957 -10.564 944 HB3 PRO 121 2HB PRO 121 -25.738 -30.283 -9.396 945 HG2 PRO 121 1HG PRO 121 -27.736 -28.054 -9.441 946 HG3 PRO 121 2HG PRO 121 -27.183 -29.033 -8.070 947 HD2 PRO 121 1HD PRO 121 -26.247 -26.538 -8.549 948 HD3 PRO 121 2HD PRO 121 -25.248 -27.807 -7.813 949 H SER 122 H SER 122 -26.134 -30.136 -12.669 950 HA SER 122 HA SER 122 -26.801 -27.862 -14.401 951 HB2 SER 122 1HB SER 122 -26.815 -29.514 -16.237 952 HB3 SER 122 2HB SER 122 -25.279 -29.516 -15.372 953 HG SER 122 HG SER 122 -25.948 -31.374 -14.279 954 H SER 123 H SER 123 -28.793 -27.298 -13.514 955 HA SER 123 HA SER 123 -30.915 -29.328 -13.678 956 HB2 SER 123 1HB SER 123 -30.604 -28.229 -11.472 957 HB3 SER 123 2HB SER 123 -30.952 -26.672 -12.224 958 HG SER 123 HG SER 123 -32.683 -28.341 -11.220 959 H GLY 124 H GLY 124 -33.093 -28.460 -14.330 960 HA2 GLY 124 1HA GLY 124 -33.644 -26.154 -15.669 961 HA3 GLY 124 2HA GLY 124 -32.819 -27.136 -16.871 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -20.310 5.182 -3.740 2 HA2 GLY 1 1HA GLY 1 -22.569 4.246 -2.947 3 HA3 GLY 1 2HA GLY 1 -22.605 5.242 -4.394 4 H SER 2 H SER 2 -22.737 4.228 -6.447 5 HA SER 2 HA SER 2 -23.197 1.360 -6.530 6 HB2 SER 2 1HB SER 2 -25.411 1.633 -7.636 7 HB3 SER 2 2HB SER 2 -25.413 2.177 -5.959 8 HG SER 2 HG SER 2 -26.228 3.923 -6.818 9 H SER 3 H SER 3 -22.795 0.469 -8.509 10 HA SER 3 HA SER 3 -21.885 2.335 -10.596 11 HB2 SER 3 1HB SER 3 -20.323 0.545 -9.456 12 HB3 SER 3 2HB SER 3 -21.112 -0.558 -10.583 13 HG SER 3 HG SER 3 -19.611 0.166 -11.883 14 H GLY 4 H GLY 4 -21.934 1.172 -12.855 15 HA2 GLY 4 1HA GLY 4 -23.518 -0.722 -13.796 16 HA3 GLY 4 2HA GLY 4 -24.731 0.438 -13.275 17 H SER 5 H SER 5 -23.338 2.805 -13.961 18 HA SER 5 HA SER 5 -23.880 2.832 -16.797 19 HB2 SER 5 1HB SER 5 -23.587 5.245 -16.633 20 HB3 SER 5 2HB SER 5 -24.613 4.683 -15.313 21 HG SER 5 HG SER 5 -22.309 6.018 -15.172 22 H SER 6 H SER 6 -21.770 1.175 -16.393 23 HA SER 6 HA SER 6 -19.276 2.581 -16.734 24 HB2 SER 6 1HB SER 6 -19.884 -0.369 -17.046 25 HB3 SER 6 2HB SER 6 -18.281 0.355 -16.924 26 HG SER 6 HG SER 6 -20.290 0.177 -14.944 27 H GLY 7 H GLY 7 -17.953 2.530 -18.596 28 HA2 GLY 7 1HA GLY 7 -18.850 1.408 -21.065 29 HA3 GLY 7 2HA GLY 7 -19.152 3.138 -21.000 30 H GLU 8 H GLU 8 -17.056 4.283 -19.944 31 HA GLU 8 HA GLU 8 -15.081 4.156 -21.936 32 HB2 GLU 8 1HB GLU 8 -13.868 5.764 -20.640 33 HB3 GLU 8 2HB GLU 8 -15.579 6.138 -20.492 34 HG2 GLU 8 1HG GLU 8 -14.219 4.451 -18.437 35 HG3 GLU 8 2HG GLU 8 -14.075 6.207 -18.396 36 H GLU 9 H GLU 9 -13.039 3.278 -21.995 37 HA GLU 9 HA GLU 9 -12.501 1.209 -19.972 38 HB2 GLU 9 1HB GLU 9 -11.996 1.376 -22.910 39 HB3 GLU 9 2HB GLU 9 -10.889 0.433 -21.922 40 HG2 GLU 9 1HG GLU 9 -12.448 -1.119 -22.659 41 HG3 GLU 9 2HG GLU 9 -12.974 -0.736 -21.021 42 HA PRO 10 HA PRO 10 -8.779 3.140 -18.687 43 HB2 PRO 10 1HB PRO 10 -7.129 1.016 -18.315 44 HB3 PRO 10 2HB PRO 10 -8.483 1.381 -17.240 45 HG2 PRO 10 1HG PRO 10 -8.321 -0.603 -19.476 46 HG3 PRO 10 2HG PRO 10 -9.033 -0.791 -17.863 47 HD2 PRO 10 1HD PRO 10 -10.527 -0.300 -20.067 48 HD3 PRO 10 2HD PRO 10 -10.977 0.296 -18.457 49 H SER 11 H SER 11 -8.460 4.156 -20.814 50 HA SER 11 HA SER 11 -6.994 2.981 -22.896 51 HB2 SER 11 1HB SER 11 -6.639 5.264 -23.705 52 HB3 SER 11 2HB SER 11 -8.301 5.063 -23.149 53 HG SER 11 HG SER 11 -7.721 6.106 -21.220 54 H GLY 12 H GLY 12 -5.939 4.946 -20.133 55 HA2 GLY 12 1HA GLY 12 -3.166 4.116 -20.736 56 HA3 GLY 12 2HA GLY 12 -3.576 5.672 -20.028 57 H VAL 13 H VAL 13 -2.298 5.357 -18.208 58 HA VAL 13 HA VAL 13 -2.584 3.035 -16.548 59 HB VAL 13 HB VAL 13 -1.243 5.688 -16.006 60 HG11 VAL 13 1HG1 VAL 13 -1.751 3.358 -14.299 61 HG12 VAL 13 2HG1 VAL 13 -0.072 3.899 -14.327 62 HG13 VAL 13 3HG1 VAL 13 -1.353 5.020 -13.865 63 HG21 VAL 13 1HG2 VAL 13 -0.491 3.428 -17.572 64 HG22 VAL 13 2HG2 VAL 13 0.412 4.912 -17.267 65 HG23 VAL 13 3HG2 VAL 13 0.583 3.536 -16.177 66 H GLU 14 H GLU 14 -3.673 6.406 -16.374 67 HA GLU 14 HA GLU 14 -4.782 6.509 -13.880 68 HB2 GLU 14 1HB GLU 14 -5.969 7.634 -16.424 69 HB3 GLU 14 2HB GLU 14 -6.409 8.130 -14.795 70 HG2 GLU 14 1HG GLU 14 -4.170 8.961 -14.408 71 HG3 GLU 14 2HG GLU 14 -3.665 8.397 -16.000 72 H GLY 15 H GLY 15 -6.278 5.164 -16.807 73 HA2 GLY 15 1HA GLY 15 -8.801 4.599 -16.125 74 HA3 GLY 15 2HA GLY 15 -7.796 3.407 -16.937 75 H ALA 16 H ALA 16 -6.030 2.694 -14.966 76 HA ALA 16 HA ALA 16 -7.259 0.695 -13.595 77 HB1 ALA 16 1HB ALA 16 -4.717 1.536 -13.757 78 HB2 ALA 16 2HB ALA 16 -5.084 2.016 -12.099 79 HB3 ALA 16 3HB ALA 16 -5.267 0.332 -12.591 80 H ALA 17 H ALA 17 -6.722 4.000 -12.410 81 HA ALA 17 HA ALA 17 -7.593 3.834 -9.834 82 HB1 ALA 17 1HB ALA 17 -8.761 6.152 -11.131 83 HB2 ALA 17 2HB ALA 17 -7.497 6.058 -9.903 84 HB3 ALA 17 3HB ALA 17 -7.083 5.890 -11.610 85 H PHE 18 H PHE 18 -9.578 3.863 -12.745 86 HA PHE 18 HA PHE 18 -12.089 4.295 -11.763 87 HB2 PHE 18 1HB PHE 18 -11.727 3.950 -14.123 88 HB3 PHE 18 2HB PHE 18 -11.218 2.288 -13.848 89 HD1 PHE 18 2HD PHE 18 -14.153 4.464 -13.079 90 HD2 PHE 18 1HD PHE 18 -12.739 0.657 -14.355 91 HE1 PHE 18 2HE PHE 18 -16.475 3.707 -13.385 92 HE2 PHE 18 1HE PHE 18 -15.058 -0.105 -14.664 93 HZ PHE 18 HZ PHE 18 -16.929 1.421 -14.178 94 H GLN 19 H GLN 19 -10.832 0.993 -12.246 95 HA GLN 19 HA GLN 19 -12.770 -0.279 -10.695 96 HB2 GLN 19 1HB GLN 19 -11.527 -2.228 -10.956 97 HB3 GLN 19 2HB GLN 19 -11.032 -1.266 -12.342 98 HG2 GLN 19 1HG GLN 19 -8.998 -1.965 -11.627 99 HG3 GLN 19 2HG GLN 19 -9.140 -0.483 -10.682 100 HE21 GLN 19 1HE2 GLN 19 -7.823 -1.160 -9.035 101 HE22 GLN 19 2HE2 GLN 19 -8.261 -2.412 -7.928 102 H SER 20 H SER 20 -9.860 1.375 -9.780 103 HA SER 20 HA SER 20 -9.569 0.243 -7.194 104 HB2 SER 20 1HB SER 20 -8.625 2.915 -8.260 105 HB3 SER 20 2HB SER 20 -8.089 2.175 -6.752 106 HG SER 20 HG SER 20 -7.736 1.143 -9.373 107 H ARG 21 H ARG 21 -12.034 2.027 -8.405 108 HA ARG 21 HA ARG 21 -13.550 3.541 -7.546 109 HB2 ARG 21 1HB ARG 21 -14.759 2.610 -5.701 110 HB3 ARG 21 2HB ARG 21 -14.183 1.274 -6.689 111 HG2 ARG 21 1HG ARG 21 -12.488 2.139 -4.415 112 HG3 ARG 21 2HG ARG 21 -13.980 1.268 -4.055 113 HD2 ARG 21 1HD ARG 21 -13.247 -0.667 -5.024 114 HD3 ARG 21 2HD ARG 21 -12.211 0.176 -6.175 115 HE ARG 21 HE ARG 21 -10.500 0.145 -4.629 116 HH11 ARG 21 2HH1 ARG 21 -13.474 -0.889 -3.143 117 HH12 ARG 21 1HH1 ARG 21 -12.706 -1.457 -1.698 118 HH21 ARG 21 2HH2 ARG 21 -9.478 -0.599 -2.731 119 HH22 ARG 21 1HH2 ARG 21 -10.434 -1.291 -1.464 120 H LEU 22 H LEU 22 -10.942 4.507 -7.150 121 HA LEU 22 HA LEU 22 -11.403 6.194 -4.829 122 HB2 LEU 22 1HB LEU 22 -9.247 5.833 -3.853 123 HB3 LEU 22 2HB LEU 22 -10.076 4.284 -3.997 124 HG LEU 22 HG LEU 22 -8.663 4.167 -6.243 125 HD11 LEU 22 1HD1 LEU 22 -7.686 6.396 -5.954 126 HD12 LEU 22 2HD1 LEU 22 -6.456 5.133 -5.953 127 HD13 LEU 22 3HD1 LEU 22 -6.959 5.874 -4.434 128 HD21 LEU 22 1HD2 LEU 22 -8.567 2.491 -4.534 129 HD22 LEU 22 2HD2 LEU 22 -7.667 3.565 -3.463 130 HD23 LEU 22 3HD2 LEU 22 -6.916 2.963 -4.941 131 HA PRO 23 HA PRO 23 -9.746 9.305 -7.448 132 HB2 PRO 23 1HB PRO 23 -8.748 11.037 -5.611 133 HB3 PRO 23 2HB PRO 23 -10.480 10.828 -5.893 134 HG2 PRO 23 1HG PRO 23 -8.756 9.660 -3.742 135 HG3 PRO 23 2HG PRO 23 -10.380 10.361 -3.617 136 HD2 PRO 23 1HD PRO 23 -9.949 7.689 -3.687 137 HD3 PRO 23 2HD PRO 23 -11.405 8.440 -4.371 138 H HIS 24 H HIS 24 -7.919 9.550 -8.585 139 HA HIS 24 HA HIS 24 -5.476 8.335 -7.593 140 HB2 HIS 24 1HB HIS 24 -5.771 7.723 -9.801 141 HB3 HIS 24 2HB HIS 24 -6.454 9.282 -10.253 142 HD1 HIS 24 1HD HIS 24 -3.053 8.070 -9.021 143 HD2 HIS 24 2HD HIS 24 -4.735 10.663 -11.798 144 HE1 HIS 24 1HE HIS 24 -1.112 9.085 -10.255 145 HE2 HIS 24 2HE HIS 24 -2.150 10.714 -11.871 146 H ASP 25 H ASP 25 -6.842 11.466 -7.963 147 HA ASP 25 HA ASP 25 -4.324 12.876 -7.961 148 HB2 ASP 25 1HB ASP 25 -6.003 14.845 -7.441 149 HB3 ASP 25 2HB ASP 25 -5.908 14.143 -9.054 150 H ARG 26 H ARG 26 -6.701 11.839 -5.624 151 HA ARG 26 HA ARG 26 -4.987 12.917 -3.487 152 HB2 ARG 26 1HB ARG 26 -7.069 13.236 -2.132 153 HB3 ARG 26 2HB ARG 26 -6.934 14.309 -3.518 154 HG2 ARG 26 1HG ARG 26 -8.545 13.080 -4.743 155 HG3 ARG 26 2HG ARG 26 -8.518 11.757 -3.574 156 HD2 ARG 26 1HD ARG 26 -10.510 13.129 -3.288 157 HD3 ARG 26 2HD ARG 26 -9.462 13.240 -1.875 158 HE ARG 26 HE ARG 26 -8.860 15.336 -3.652 159 HH11 ARG 26 2HH1 ARG 26 -11.359 14.284 -1.469 160 HH12 ARG 26 1HH1 ARG 26 -11.915 15.888 -1.125 161 HH21 ARG 26 2HH2 ARG 26 -9.583 17.453 -3.208 162 HH22 ARG 26 1HH2 ARG 26 -10.904 17.690 -2.115 163 H MET 27 H MET 27 -5.710 11.824 -1.303 164 HA MET 27 HA MET 27 -5.781 8.929 -1.824 165 HB2 MET 27 1HB MET 27 -4.772 10.330 0.655 166 HB3 MET 27 2HB MET 27 -4.598 8.626 0.257 167 HG2 MET 27 1HG MET 27 -2.984 9.030 -1.349 168 HG3 MET 27 2HG MET 27 -3.456 10.717 -1.541 169 HE1 MET 27 1HE MET 27 -2.817 8.369 1.279 170 HE2 MET 27 2HE MET 27 -1.083 8.317 0.965 171 HE3 MET 27 3HE MET 27 -1.700 9.199 2.362 172 H THR 28 H THR 28 -6.979 7.572 -0.387 173 HA THR 28 HA THR 28 -9.407 8.876 0.585 174 HB THR 28 HB THR 28 -10.267 6.519 0.801 175 HG1 THR 28 1HG THR 28 -8.112 5.705 -0.818 176 HG21 THR 28 1HG2 THR 28 -9.874 8.105 -1.505 177 HG22 THR 28 2HG2 THR 28 -11.120 6.889 -1.223 178 HG23 THR 28 3HG2 THR 28 -9.594 6.429 -1.977 179 H SER 29 H SER 29 -10.377 8.069 2.623 180 HA SER 29 HA SER 29 -9.022 8.632 4.855 181 HB2 SER 29 1HB SER 29 -11.093 6.462 4.495 182 HB3 SER 29 2HB SER 29 -10.510 6.978 6.077 183 HG SER 29 HG SER 29 -12.109 8.353 5.849 184 H GLN 30 H GLN 30 -9.257 5.296 3.613 185 HA GLN 30 HA GLN 30 -7.523 4.112 5.438 186 HB2 GLN 30 1HB GLN 30 -7.197 2.364 3.654 187 HB3 GLN 30 2HB GLN 30 -8.871 2.710 4.065 188 HG2 GLN 30 1HG GLN 30 -8.613 4.409 2.045 189 HG3 GLN 30 2HG GLN 30 -7.377 3.246 1.568 190 HE21 GLN 30 1HE2 GLN 30 -10.523 2.852 3.150 191 HE22 GLN 30 2HE2 GLN 30 -11.175 1.770 1.971 192 H GLU 31 H GLU 31 -6.773 5.216 2.129 193 HA GLU 31 HA GLU 31 -4.078 4.702 2.075 194 HB2 GLU 31 1HB GLU 31 -5.624 6.999 0.877 195 HB3 GLU 31 2HB GLU 31 -3.925 6.709 0.530 196 HG2 GLU 31 1HG GLU 31 -4.446 4.552 -0.419 197 HG3 GLU 31 2HG GLU 31 -6.144 4.744 0.013 198 H ALA 32 H ALA 32 -5.508 7.848 2.974 199 HA ALA 32 HA ALA 32 -3.166 9.059 3.855 200 HB1 ALA 32 1HB ALA 32 -4.918 10.531 3.584 201 HB2 ALA 32 2HB ALA 32 -6.059 9.499 4.447 202 HB3 ALA 32 3HB ALA 32 -4.834 10.399 5.341 203 H ALA 33 H ALA 33 -5.155 6.676 5.388 204 HA ALA 33 HA ALA 33 -4.106 7.126 8.037 205 HB1 ALA 33 1HB ALA 33 -6.032 5.230 6.804 206 HB2 ALA 33 2HB ALA 33 -5.270 4.772 8.327 207 HB3 ALA 33 3HB ALA 33 -6.209 6.261 8.223 208 H CYS 34 H CYS 34 -3.510 4.928 5.356 209 HA CYS 34 HA CYS 34 -1.690 3.269 6.831 210 HB2 CYS 34 1HB CYS 34 -2.610 3.442 3.996 211 HB3 CYS 34 2HB CYS 34 -1.112 2.584 4.336 212 HG CYS 34 HG CYS 34 -4.275 1.784 5.300 213 H PHE 35 H PHE 35 -1.423 5.972 4.590 214 HA PHE 35 HA PHE 35 1.469 6.061 5.153 215 HB2 PHE 35 1HB PHE 35 0.142 7.139 2.663 216 HB3 PHE 35 2HB PHE 35 1.867 6.948 2.965 217 HD1 PHE 35 2HD PHE 35 -1.273 4.974 2.670 218 HD2 PHE 35 1HD PHE 35 2.959 5.055 2.217 219 HE1 PHE 35 2HE PHE 35 -1.345 2.743 1.635 220 HE2 PHE 35 1HE PHE 35 2.894 2.824 1.181 221 HZ PHE 35 HZ PHE 35 0.740 1.665 0.890 222 HA PRO 36 HA PRO 36 -0.266 9.871 7.002 223 HB2 PRO 36 1HB PRO 36 1.623 10.031 8.945 224 HB3 PRO 36 2HB PRO 36 0.177 9.024 9.091 225 HG2 PRO 36 1HG PRO 36 2.962 8.239 8.326 226 HG3 PRO 36 2HG PRO 36 1.825 7.415 9.408 227 HD2 PRO 36 1HD PRO 36 2.233 6.626 6.850 228 HD3 PRO 36 2HD PRO 36 0.664 6.455 7.663 229 H ASP 37 H ASP 37 3.121 9.074 6.309 230 HA ASP 37 HA ASP 37 4.058 11.740 6.228 231 HB2 ASP 37 1HB ASP 37 5.165 9.274 4.868 232 HB3 ASP 37 2HB ASP 37 6.025 10.797 5.077 233 H ILE 38 H ILE 38 2.598 9.637 3.835 234 HA ILE 38 HA ILE 38 3.204 11.286 1.586 235 HB ILE 38 HB ILE 38 1.108 9.139 1.922 236 HG12 ILE 38 1HG1 ILE 38 3.356 8.263 2.158 237 HG13 ILE 38 2HG1 ILE 38 2.711 7.777 0.593 238 HG21 ILE 38 1HG2 ILE 38 2.005 9.681 -0.783 239 HG22 ILE 38 2HG2 ILE 38 0.369 9.529 -0.143 240 HG23 ILE 38 3HG2 ILE 38 1.213 11.074 -0.046 241 HD11 ILE 38 1HD1 ILE 38 4.663 10.007 1.111 242 HD12 ILE 38 2HD1 ILE 38 5.012 8.444 0.371 243 HD13 ILE 38 3HD1 ILE 38 3.975 9.601 -0.462 244 H ILE 39 H ILE 39 0.201 10.707 3.419 245 HA ILE 39 HA ILE 39 -1.341 12.637 2.071 246 HB ILE 39 HB ILE 39 -2.329 10.851 3.450 247 HG12 ILE 39 1HG1 ILE 39 -4.004 12.328 4.658 248 HG13 ILE 39 2HG1 ILE 39 -3.013 13.701 4.180 249 HG21 ILE 39 1HG2 ILE 39 -2.367 11.773 6.020 250 HG22 ILE 39 2HG2 ILE 39 -1.322 10.488 5.417 251 HG23 ILE 39 3HG2 ILE 39 -0.717 12.141 5.520 252 HD11 ILE 39 1HD1 ILE 39 -3.785 13.675 2.086 253 HD12 ILE 39 2HD1 ILE 39 -3.736 11.914 1.982 254 HD13 ILE 39 3HD1 ILE 39 -5.101 12.715 2.762 255 H SER 40 H SER 40 0.993 12.894 4.617 256 HA SER 40 HA SER 40 0.206 15.668 5.158 257 HB2 SER 40 1HB SER 40 0.687 13.902 7.008 258 HB3 SER 40 2HB SER 40 2.382 14.205 6.629 259 HG SER 40 HG SER 40 0.493 15.871 7.821 260 H GLY 41 H GLY 41 1.497 14.863 2.673 261 HA2 GLY 41 1HA GLY 41 3.995 16.419 2.949 262 HA3 GLY 41 2HA GLY 41 3.862 15.036 1.873 263 HA PRO 42 HA PRO 42 2.928 19.010 -0.431 264 HB2 PRO 42 1HB PRO 42 4.862 18.708 -2.312 265 HB3 PRO 42 2HB PRO 42 5.140 19.528 -0.771 266 HG2 PRO 42 1HG PRO 42 5.810 16.722 -1.570 267 HG3 PRO 42 2HG PRO 42 6.786 17.889 -0.660 268 HD2 PRO 42 1HD PRO 42 5.406 15.894 0.542 269 HD3 PRO 42 2HD PRO 42 5.675 17.469 1.315 270 H GLN 43 H GLN 43 1.891 19.156 -2.436 271 HA GLN 43 HA GLN 43 0.318 17.138 -3.308 272 HB2 GLN 43 1HB GLN 43 -0.014 18.341 -5.358 273 HB3 GLN 43 2HB GLN 43 0.213 19.515 -4.068 274 HG2 GLN 43 1HG GLN 43 2.677 19.527 -4.805 275 HG3 GLN 43 2HG GLN 43 2.081 18.764 -6.279 276 HE21 GLN 43 1HE2 GLN 43 3.334 21.346 -5.975 277 HE22 GLN 43 2HE2 GLN 43 2.200 22.518 -6.543 278 H GLN 44 H GLN 44 3.597 17.827 -4.455 279 HA GLN 44 HA GLN 44 3.741 15.950 -6.502 280 HB2 GLN 44 1HB GLN 44 5.462 17.632 -6.182 281 HB3 GLN 44 2HB GLN 44 5.914 16.919 -4.639 282 HG2 GLN 44 1HG GLN 44 7.532 16.266 -6.250 283 HG3 GLN 44 2HG GLN 44 6.558 14.850 -5.857 284 HE21 GLN 44 1HE2 GLN 44 8.057 14.894 -8.129 285 HE22 GLN 44 2HE2 GLN 44 7.028 14.985 -9.514 286 H THR 45 H THR 45 4.799 15.572 -3.118 287 HA THR 45 HA THR 45 5.596 12.936 -3.199 288 HB THR 45 HB THR 45 4.190 14.341 -0.919 289 HG1 THR 45 1HG THR 45 6.621 14.304 -0.307 290 HG21 THR 45 1HG2 THR 45 4.509 12.537 0.371 291 HG22 THR 45 2HG2 THR 45 6.138 12.280 -0.254 292 HG23 THR 45 3HG2 THR 45 4.746 11.646 -1.132 293 H GLN 46 H GLN 46 2.348 14.140 -2.344 294 HA GLN 46 HA GLN 46 1.083 11.720 -1.955 295 HB2 GLN 46 1HB GLN 46 0.041 14.320 -3.070 296 HB3 GLN 46 2HB GLN 46 -1.007 12.947 -2.740 297 HG2 GLN 46 1HG GLN 46 -0.342 13.003 -0.390 298 HG3 GLN 46 2HG GLN 46 0.704 14.382 -0.722 299 HE21 GLN 46 1HE2 GLN 46 -0.900 14.973 1.147 300 HE22 GLN 46 2HE2 GLN 46 -2.282 15.877 0.639 301 H LYS 47 H LYS 47 1.365 13.540 -5.000 302 HA LYS 47 HA LYS 47 -0.008 11.745 -6.635 303 HB2 LYS 47 1HB LYS 47 2.306 13.551 -7.359 304 HB3 LYS 47 2HB LYS 47 1.211 12.792 -8.507 305 HG2 LYS 47 1HG LYS 47 -0.525 14.194 -7.991 306 HG3 LYS 47 2HG LYS 47 0.073 14.512 -6.361 307 HD2 LYS 47 1HD LYS 47 0.395 16.507 -7.606 308 HD3 LYS 47 2HD LYS 47 1.985 15.760 -7.431 309 HE2 LYS 47 1HE LYS 47 1.918 14.930 -9.669 310 HE3 LYS 47 2HE LYS 47 0.228 15.395 -9.851 311 HZ1 LYS 47 1HZ LYS 47 1.423 17.726 -9.198 312 HZ2 LYS 47 2HZ LYS 47 1.056 17.233 -10.773 313 HZ3 LYS 47 3HZ LYS 47 2.608 16.983 -10.149 314 H VAL 48 H VAL 48 3.462 11.939 -5.896 315 HA VAL 48 HA VAL 48 4.451 9.965 -7.523 316 HB VAL 48 HB VAL 48 5.263 10.544 -4.671 317 HG11 VAL 48 1HG1 VAL 48 6.800 8.947 -4.814 318 HG12 VAL 48 2HG1 VAL 48 6.058 8.422 -6.326 319 HG13 VAL 48 3HG1 VAL 48 7.383 9.586 -6.350 320 HG21 VAL 48 1HG2 VAL 48 7.147 11.525 -6.499 321 HG22 VAL 48 2HG2 VAL 48 5.570 11.995 -7.133 322 HG23 VAL 48 3HG2 VAL 48 6.036 12.459 -5.497 323 H PHE 49 H PHE 49 2.866 9.580 -4.381 324 HA PHE 49 HA PHE 49 3.187 6.723 -4.373 325 HB2 PHE 49 1HB PHE 49 3.056 7.435 -2.201 326 HB3 PHE 49 2HB PHE 49 1.951 8.751 -2.587 327 HD1 PHE 49 1HD PHE 49 -0.468 8.173 -3.076 328 HD2 PHE 49 2HD PHE 49 2.268 5.430 -1.314 329 HE1 PHE 49 1HE PHE 49 -2.355 6.835 -2.238 330 HE2 PHE 49 2HE PHE 49 0.386 4.087 -0.473 331 HZ PHE 49 HZ PHE 49 -1.929 4.788 -0.935 332 H LEU 50 H LEU 50 0.638 9.008 -5.181 333 HA LEU 50 HA LEU 50 -1.420 7.074 -5.497 334 HB2 LEU 50 1HB LEU 50 -1.051 9.928 -6.291 335 HB3 LEU 50 2HB LEU 50 -2.393 9.007 -6.967 336 HG LEU 50 HG LEU 50 -1.951 9.282 -4.003 337 HD11 LEU 50 1HD1 LEU 50 -2.264 11.481 -5.357 338 HD12 LEU 50 2HD1 LEU 50 -3.230 11.196 -3.910 339 HD13 LEU 50 3HD1 LEU 50 -3.934 10.934 -5.505 340 HD21 LEU 50 1HD2 LEU 50 -4.046 8.371 -3.757 341 HD22 LEU 50 2HD2 LEU 50 -3.467 7.500 -5.177 342 HD23 LEU 50 3HD2 LEU 50 -4.570 8.863 -5.367 343 H PHE 51 H PHE 51 1.320 7.731 -7.309 344 HA PHE 51 HA PHE 51 0.125 6.900 -9.844 345 HB2 PHE 51 1HB PHE 51 1.616 8.754 -10.067 346 HB3 PHE 51 2HB PHE 51 2.862 7.947 -9.119 347 HD1 PHE 51 1HD PHE 51 3.690 5.657 -10.118 348 HD2 PHE 51 2HD PHE 51 1.792 8.741 -12.355 349 HE1 PHE 51 1HE PHE 51 4.687 4.767 -12.184 350 HE2 PHE 51 2HE PHE 51 2.785 7.855 -14.425 351 HZ PHE 51 HZ PHE 51 4.233 5.865 -14.341 352 H ILE 52 H ILE 52 2.533 5.862 -7.478 353 HA ILE 52 HA ILE 52 3.570 3.648 -8.779 354 HB ILE 52 HB ILE 52 3.021 3.936 -5.823 355 HG12 ILE 52 1HG1 ILE 52 5.710 4.316 -7.061 356 HG13 ILE 52 2HG1 ILE 52 4.534 5.615 -7.218 357 HG21 ILE 52 1HG2 ILE 52 4.272 2.080 -5.413 358 HG22 ILE 52 2HG2 ILE 52 3.605 1.621 -6.979 359 HG23 ILE 52 3HG2 ILE 52 5.240 2.273 -6.874 360 HD11 ILE 52 1HD1 ILE 52 4.562 4.747 -4.513 361 HD12 ILE 52 2HD1 ILE 52 6.222 5.031 -5.040 362 HD13 ILE 52 3HD1 ILE 52 5.019 6.313 -5.183 363 H ARG 53 H ARG 53 0.558 3.991 -6.993 364 HA ARG 53 HA ARG 53 -0.113 1.254 -6.868 365 HB2 ARG 53 1HB ARG 53 -1.248 2.830 -5.448 366 HB3 ARG 53 2HB ARG 53 -1.835 3.734 -6.837 367 HG2 ARG 53 1HG ARG 53 -3.002 1.502 -7.468 368 HG3 ARG 53 2HG ARG 53 -2.752 1.105 -5.766 369 HD2 ARG 53 1HD ARG 53 -3.957 3.734 -6.511 370 HD3 ARG 53 2HD ARG 53 -4.954 2.280 -6.541 371 HE ARG 53 HE ARG 53 -4.841 2.173 -4.233 372 HH11 ARG 53 2HH1 ARG 53 -2.720 4.653 -5.446 373 HH12 ARG 53 1HH1 ARG 53 -2.445 5.362 -3.889 374 HH21 ARG 53 2HH2 ARG 53 -4.487 3.097 -2.178 375 HH22 ARG 53 1HH2 ARG 53 -3.450 4.476 -2.031 376 H ASN 54 H ASN 54 -1.554 3.751 -8.975 377 HA ASN 54 HA ASN 54 -3.023 2.226 -10.655 378 HB2 ASN 54 1HB ASN 54 -1.313 4.630 -11.289 379 HB3 ASN 54 2HB ASN 54 -2.392 3.904 -12.477 380 HD21 ASN 54 1HD2 ASN 54 -2.116 6.173 -10.068 381 HD22 ASN 54 2HD2 ASN 54 -3.794 6.477 -9.788 382 H ARG 55 H ARG 55 0.468 2.801 -10.950 383 HA ARG 55 HA ARG 55 0.848 1.315 -13.309 384 HB2 ARG 55 1HB ARG 55 2.457 2.958 -12.202 385 HB3 ARG 55 2HB ARG 55 2.904 1.639 -11.130 386 HG2 ARG 55 1HG ARG 55 4.526 1.560 -12.778 387 HG3 ARG 55 2HG ARG 55 3.375 0.325 -13.291 388 HD2 ARG 55 1HD ARG 55 2.330 1.995 -14.796 389 HD3 ARG 55 2HD ARG 55 3.585 3.145 -14.337 390 HE ARG 55 HE ARG 55 4.586 0.648 -15.368 391 HH11 ARG 55 2HH1 ARG 55 3.505 3.863 -16.150 392 HH12 ARG 55 1HH1 ARG 55 4.367 3.929 -17.652 393 HH21 ARG 55 2HH2 ARG 55 5.726 0.722 -17.343 394 HH22 ARG 55 1HH2 ARG 55 5.629 2.141 -18.329 395 H THR 56 H THR 56 1.275 0.406 -9.896 396 HA THR 56 HA THR 56 2.140 -2.203 -10.253 397 HB THR 56 HB THR 56 0.370 -1.136 -8.045 398 HG1 THR 56 1HG THR 56 2.720 -0.369 -8.605 399 HG21 THR 56 1HG2 THR 56 0.522 -3.675 -8.348 400 HG22 THR 56 2HG2 THR 56 0.930 -3.023 -6.761 401 HG23 THR 56 3HG2 THR 56 2.211 -3.506 -7.873 402 H LEU 57 H LEU 57 -1.190 -0.991 -9.981 403 HA LEU 57 HA LEU 57 -2.417 -3.534 -10.236 404 HB2 LEU 57 1HB LEU 57 -3.329 -0.704 -10.407 405 HB3 LEU 57 2HB LEU 57 -4.398 -1.976 -10.998 406 HG LEU 57 HG LEU 57 -3.260 -2.058 -8.221 407 HD11 LEU 57 1HD1 LEU 57 -4.368 -0.162 -7.790 408 HD12 LEU 57 2HD1 LEU 57 -5.813 -1.165 -7.894 409 HD13 LEU 57 3HD1 LEU 57 -5.283 -0.237 -9.296 410 HD21 LEU 57 1HD2 LEU 57 -5.954 -3.047 -8.818 411 HD22 LEU 57 2HD2 LEU 57 -4.646 -3.792 -7.900 412 HD23 LEU 57 3HD2 LEU 57 -4.657 -3.893 -9.661 413 H GLN 58 H GLN 58 -1.933 -0.882 -12.561 414 HA GLN 58 HA GLN 58 -3.129 -1.863 -14.791 415 HB2 GLN 58 1HB GLN 58 -0.586 -0.319 -14.429 416 HB3 GLN 58 2HB GLN 58 -1.087 -0.819 -16.039 417 HG2 GLN 58 1HG GLN 58 -2.910 0.706 -14.212 418 HG3 GLN 58 2HG GLN 58 -1.749 1.510 -15.269 419 HE21 GLN 58 1HE2 GLN 58 -1.837 0.322 -17.577 420 HE22 GLN 58 2HE2 GLN 58 -3.424 0.300 -18.258 421 H LEU 59 H LEU 59 0.323 -2.443 -14.089 422 HA LEU 59 HA LEU 59 0.828 -4.300 -16.055 423 HB2 LEU 59 1HB LEU 59 1.963 -4.406 -13.267 424 HB3 LEU 59 2HB LEU 59 2.696 -5.042 -14.739 425 HG LEU 59 HG LEU 59 2.149 -2.111 -14.485 426 HD11 LEU 59 1HD1 LEU 59 3.969 -3.654 -12.840 427 HD12 LEU 59 2HD1 LEU 59 3.501 -1.958 -12.725 428 HD13 LEU 59 3HD1 LEU 59 4.808 -2.441 -13.806 429 HD21 LEU 59 1HD2 LEU 59 3.867 -1.901 -16.089 430 HD22 LEU 59 2HD2 LEU 59 2.866 -3.249 -16.630 431 HD23 LEU 59 3HD2 LEU 59 4.411 -3.560 -15.837 432 H TRP 60 H TRP 60 -0.775 -4.753 -12.977 433 HA TRP 60 HA TRP 60 -0.751 -7.610 -13.063 434 HB2 TRP 60 1HB TRP 60 -1.060 -6.941 -10.897 435 HB3 TRP 60 2HB TRP 60 -1.996 -5.521 -11.356 436 HD1 TRP 60 HD TRP 60 -4.622 -5.780 -11.516 437 HE1 TRP 60 1HE TRP 60 -6.249 -7.629 -10.767 438 HE3 TRP 60 3HE TRP 60 -1.253 -9.529 -10.664 439 HZ2 TRP 60 2HZ TRP 60 -6.120 -10.320 -9.925 440 HZ3 TRP 60 3HZ TRP 60 -2.087 -11.710 -9.887 441 HH2 TRP 60 HH TRP 60 -4.470 -12.095 -9.526 442 H LEU 61 H LEU 61 -3.062 -5.101 -13.979 443 HA LEU 61 HA LEU 61 -5.151 -6.922 -14.660 444 HB2 LEU 61 1HB LEU 61 -4.649 -4.011 -14.999 445 HB3 LEU 61 2HB LEU 61 -5.882 -4.765 -16.009 446 HG LEU 61 HG LEU 61 -5.865 -4.810 -12.992 447 HD11 LEU 61 1HD1 LEU 61 -7.316 -3.052 -14.954 448 HD12 LEU 61 2HD1 LEU 61 -6.234 -2.562 -13.651 449 HD13 LEU 61 3HD1 LEU 61 -7.813 -3.250 -13.274 450 HD21 LEU 61 1HD2 LEU 61 -8.353 -5.290 -14.444 451 HD22 LEU 61 2HD2 LEU 61 -7.651 -6.153 -13.075 452 HD23 LEU 61 3HD2 LEU 61 -7.121 -6.522 -14.717 453 H ASP 62 H ASP 62 -2.313 -5.836 -16.236 454 HA ASP 62 HA ASP 62 -3.297 -6.569 -18.886 455 HB2 ASP 62 1HB ASP 62 -1.901 -4.511 -18.546 456 HB3 ASP 62 2HB ASP 62 -0.553 -5.560 -18.115 457 H ASN 63 H ASN 63 -1.215 -7.735 -16.347 458 HA ASN 63 HA ASN 63 -0.831 -10.216 -17.871 459 HB2 ASN 63 1HB ASN 63 1.220 -8.494 -17.586 460 HB3 ASN 63 2HB ASN 63 1.388 -9.393 -16.081 461 HD21 ASN 63 1HD2 ASN 63 1.284 -11.818 -16.360 462 HD22 ASN 63 2HD2 ASN 63 2.155 -12.476 -17.699 463 HA PRO 64 HA PRO 64 -2.288 -10.672 -13.373 464 HB2 PRO 64 1HB PRO 64 -4.819 -11.499 -13.901 465 HB3 PRO 64 2HB PRO 64 -4.390 -9.798 -13.681 466 HG2 PRO 64 1HG PRO 64 -4.801 -11.336 -16.217 467 HG3 PRO 64 2HG PRO 64 -5.352 -9.704 -15.796 468 HD2 PRO 64 1HD PRO 64 -3.174 -10.152 -17.341 469 HD3 PRO 64 2HD PRO 64 -3.300 -8.757 -16.250 470 H LYS 65 H LYS 65 -1.627 -12.439 -16.071 471 HA LYS 65 HA LYS 65 -2.652 -14.998 -15.328 472 HB2 LYS 65 1HB LYS 65 -1.124 -15.855 -17.080 473 HB3 LYS 65 2HB LYS 65 -2.141 -14.537 -17.647 474 HG2 LYS 65 1HG LYS 65 -0.254 -13.669 -18.451 475 HG3 LYS 65 2HG LYS 65 0.089 -13.214 -16.780 476 HD2 LYS 65 1HD LYS 65 2.026 -14.323 -17.368 477 HD3 LYS 65 2HD LYS 65 1.086 -15.620 -16.626 478 HE2 LYS 65 1HE LYS 65 1.973 -16.518 -18.622 479 HE3 LYS 65 2HE LYS 65 0.274 -16.184 -18.954 480 HZ1 LYS 65 1HZ LYS 65 2.491 -15.266 -20.353 481 HZ2 LYS 65 2HZ LYS 65 1.821 -13.916 -19.587 482 HZ3 LYS 65 3HZ LYS 65 0.868 -14.865 -20.612 483 H ILE 66 H ILE 66 -0.287 -13.117 -13.980 484 HA ILE 66 HA ILE 66 0.887 -15.439 -12.642 485 HB ILE 66 HB ILE 66 3.148 -14.439 -12.763 486 HG12 ILE 66 1HG1 ILE 66 1.847 -12.567 -14.753 487 HG13 ILE 66 2HG1 ILE 66 2.509 -12.117 -13.186 488 HG21 ILE 66 1HG2 ILE 66 2.793 -14.679 -15.585 489 HG22 ILE 66 2HG2 ILE 66 3.476 -15.842 -14.449 490 HG23 ILE 66 3HG2 ILE 66 1.742 -15.836 -14.769 491 HD11 ILE 66 1HD1 ILE 66 4.301 -13.459 -15.132 492 HD12 ILE 66 2HD1 ILE 66 3.865 -11.772 -15.407 493 HD13 ILE 66 3HD1 ILE 66 4.663 -12.244 -13.907 494 H GLN 67 H GLN 67 2.303 -14.662 -10.750 495 HA GLN 67 HA GLN 67 0.694 -12.838 -9.190 496 HB2 GLN 67 1HB GLN 67 1.825 -13.646 -7.311 497 HB3 GLN 67 2HB GLN 67 1.755 -15.040 -8.381 498 HG2 GLN 67 1HG GLN 67 4.117 -13.223 -7.963 499 HG3 GLN 67 2HG GLN 67 3.933 -14.868 -7.355 500 HE21 GLN 67 1HE2 GLN 67 5.354 -13.067 -9.675 501 HE22 GLN 67 2HE2 GLN 67 5.567 -14.266 -10.899 502 H LEU 68 H LEU 68 1.226 -10.819 -8.534 503 HA LEU 68 HA LEU 68 3.582 -9.616 -9.781 504 HB2 LEU 68 1HB LEU 68 1.195 -8.686 -9.956 505 HB3 LEU 68 2HB LEU 68 1.429 -8.145 -8.295 506 HG LEU 68 HG LEU 68 3.340 -6.777 -9.033 507 HD11 LEU 68 1HD1 LEU 68 3.414 -6.396 -11.581 508 HD12 LEU 68 2HD1 LEU 68 2.641 -7.978 -11.684 509 HD13 LEU 68 3HD1 LEU 68 4.219 -7.816 -10.912 510 HD21 LEU 68 1HD2 LEU 68 0.606 -6.322 -9.473 511 HD22 LEU 68 2HD2 LEU 68 1.443 -5.701 -10.896 512 HD23 LEU 68 3HD2 LEU 68 1.885 -5.121 -9.289 513 H THR 69 H THR 69 5.336 -9.894 -8.531 514 HA THR 69 HA THR 69 5.161 -9.686 -5.643 515 HB THR 69 HB THR 69 7.510 -10.295 -5.610 516 HG1 THR 69 1HG THR 69 7.714 -9.100 -7.843 517 HG21 THR 69 1HG2 THR 69 6.534 -12.322 -5.746 518 HG22 THR 69 2HG2 THR 69 7.201 -12.342 -7.379 519 HG23 THR 69 3HG2 THR 69 5.527 -11.854 -7.116 520 H PHE 70 H PHE 70 7.013 -8.402 -4.566 521 HA PHE 70 HA PHE 70 6.597 -5.670 -5.090 522 HB2 PHE 70 1HB PHE 70 7.161 -6.180 -2.873 523 HB3 PHE 70 2HB PHE 70 8.529 -7.180 -3.354 524 HD1 PHE 70 2HD PHE 70 7.328 -3.719 -2.986 525 HD2 PHE 70 1HD PHE 70 10.679 -6.244 -3.703 526 HE1 PHE 70 2HE PHE 70 8.837 -1.805 -2.650 527 HE2 PHE 70 1HE PHE 70 12.194 -4.334 -3.368 528 HZ PHE 70 HZ PHE 70 11.273 -2.111 -2.841 529 H GLU 71 H GLU 71 9.310 -7.823 -5.829 530 HA GLU 71 HA GLU 71 11.081 -5.929 -6.852 531 HB2 GLU 71 1HB GLU 71 10.704 -8.860 -7.193 532 HB3 GLU 71 2HB GLU 71 11.737 -8.037 -8.353 533 HG2 GLU 71 1HG GLU 71 13.128 -7.200 -6.541 534 HG3 GLU 71 2HG GLU 71 12.082 -7.991 -5.363 535 H ALA 72 H ALA 72 9.042 -8.124 -8.791 536 HA ALA 72 HA ALA 72 9.399 -7.089 -11.271 537 HB1 ALA 72 1HB ALA 72 6.589 -7.575 -10.935 538 HB2 ALA 72 2HB ALA 72 7.797 -8.536 -11.789 539 HB3 ALA 72 3HB ALA 72 7.527 -8.788 -10.064 540 H THR 73 H THR 73 6.843 -5.989 -9.035 541 HA THR 73 HA THR 73 5.817 -3.922 -10.542 542 HB THR 73 HB THR 73 6.153 -3.974 -7.536 543 HG1 THR 73 1HG THR 73 4.854 -5.648 -7.935 544 HG21 THR 73 1HG2 THR 73 3.830 -2.594 -8.619 545 HG22 THR 73 2HG2 THR 73 5.350 -1.850 -9.114 546 HG23 THR 73 3HG2 THR 73 4.990 -2.066 -7.401 547 H LEU 74 H LEU 74 8.631 -3.893 -8.399 548 HA LEU 74 HA LEU 74 9.142 -1.121 -8.560 549 HB2 LEU 74 1HB LEU 74 10.212 -2.167 -6.801 550 HB3 LEU 74 2HB LEU 74 10.738 -3.524 -7.794 551 HG LEU 74 HG LEU 74 12.278 -1.780 -8.934 552 HD11 LEU 74 1HD1 LEU 74 12.538 -0.354 -6.425 553 HD12 LEU 74 2HD1 LEU 74 10.972 -0.081 -7.187 554 HD13 LEU 74 3HD1 LEU 74 12.456 0.264 -8.075 555 HD21 LEU 74 1HD2 LEU 74 14.020 -2.219 -7.298 556 HD22 LEU 74 2HD2 LEU 74 13.037 -3.661 -7.553 557 HD23 LEU 74 3HD2 LEU 74 12.807 -2.681 -6.104 558 H GLN 75 H GLN 75 10.804 -3.831 -10.186 559 HA GLN 75 HA GLN 75 12.467 -2.398 -11.836 560 HB2 GLN 75 1HB GLN 75 11.017 -4.985 -12.413 561 HB3 GLN 75 2HB GLN 75 12.329 -4.352 -13.398 562 HG2 GLN 75 1HG GLN 75 13.617 -4.322 -11.122 563 HG3 GLN 75 2HG GLN 75 12.401 -5.511 -10.659 564 HE21 GLN 75 1HE2 GLN 75 14.798 -4.773 -13.145 565 HE22 GLN 75 2HE2 GLN 75 15.190 -6.416 -13.507 566 H GLN 76 H GLN 76 9.164 -3.490 -12.608 567 HA GLN 76 HA GLN 76 9.017 -2.298 -15.141 568 HB2 GLN 76 1HB GLN 76 6.819 -2.943 -13.170 569 HB3 GLN 76 2HB GLN 76 6.547 -2.486 -14.847 570 HG2 GLN 76 1HG GLN 76 7.362 -4.475 -15.666 571 HG3 GLN 76 2HG GLN 76 8.320 -4.798 -14.222 572 HE21 GLN 76 1HE2 GLN 76 6.663 -4.704 -12.192 573 HE22 GLN 76 2HE2 GLN 76 5.366 -5.833 -12.355 574 H LEU 77 H LEU 77 8.317 -1.045 -11.928 575 HA LEU 77 HA LEU 77 7.046 1.339 -12.697 576 HB2 LEU 77 1HB LEU 77 8.386 0.318 -10.269 577 HB3 LEU 77 2HB LEU 77 8.232 2.069 -10.400 578 HG LEU 77 HG LEU 77 5.822 0.342 -10.779 579 HD11 LEU 77 1HD1 LEU 77 5.403 0.149 -8.492 580 HD12 LEU 77 2HD1 LEU 77 6.663 1.309 -8.068 581 HD13 LEU 77 3HD1 LEU 77 7.102 -0.295 -8.655 582 HD21 LEU 77 1HD2 LEU 77 5.286 2.636 -9.279 583 HD22 LEU 77 2HD2 LEU 77 4.920 2.362 -10.983 584 HD23 LEU 77 3HD2 LEU 77 6.432 3.145 -10.519 585 H GLU 78 H GLU 78 7.866 3.505 -12.715 586 HA GLU 78 HA GLU 78 10.728 3.676 -13.398 587 HB2 GLU 78 1HB GLU 78 10.162 5.423 -15.029 588 HB3 GLU 78 2HB GLU 78 9.374 3.899 -15.413 589 HG2 GLU 78 1HG GLU 78 7.294 4.732 -14.429 590 HG3 GLU 78 2HG GLU 78 8.087 6.266 -14.071 591 H ALA 79 H ALA 79 11.837 4.934 -12.069 592 HA ALA 79 HA ALA 79 10.893 6.307 -9.907 593 HB1 ALA 79 1HB ALA 79 13.102 6.357 -9.642 594 HB2 ALA 79 2HB ALA 79 13.387 6.216 -11.377 595 HB3 ALA 79 3HB ALA 79 13.102 7.800 -10.657 596 HA PRO 80 HA PRO 80 12.123 8.364 -8.969 597 HB2 PRO 80 1HB PRO 80 10.709 10.057 -7.387 598 HB3 PRO 80 2HB PRO 80 11.958 10.609 -8.510 599 HG2 PRO 80 1HG PRO 80 8.984 10.593 -8.844 600 HG3 PRO 80 2HG PRO 80 10.151 11.859 -9.268 601 HD2 PRO 80 1HD PRO 80 9.118 10.156 -11.103 602 HD3 PRO 80 2HD PRO 80 10.762 10.815 -11.230 603 H TYR 81 H TYR 81 8.978 7.555 -9.787 604 HA TYR 81 HA TYR 81 7.697 6.882 -7.449 605 HB2 TYR 81 1HB TYR 81 7.674 5.086 -9.870 606 HB3 TYR 81 2HB TYR 81 6.377 5.371 -8.715 607 HD1 TYR 81 1HD TYR 81 6.403 8.332 -8.571 608 HD2 TYR 81 2HD TYR 81 6.747 5.726 -11.917 609 HE1 TYR 81 1HE TYR 81 5.490 10.091 -10.027 610 HE2 TYR 81 2HE TYR 81 5.836 7.478 -13.383 611 HH TYR 81 HH TYR 81 4.820 9.483 -13.444 612 H ASN 82 H ASN 82 9.675 4.627 -9.385 613 HA ASN 82 HA ASN 82 9.765 2.642 -7.371 614 HB2 ASN 82 1HB ASN 82 11.017 1.405 -8.854 615 HB3 ASN 82 2HB ASN 82 10.267 2.544 -9.969 616 HD21 ASN 82 1HD2 ASN 82 11.625 3.266 -11.421 617 HD22 ASN 82 2HD2 ASN 82 13.305 3.593 -11.181 618 H SER 83 H SER 83 11.775 5.399 -8.116 619 HA SER 83 HA SER 83 14.163 4.971 -6.989 620 HB2 SER 83 1HB SER 83 13.257 7.182 -7.821 621 HB3 SER 83 2HB SER 83 12.526 7.397 -6.231 622 HG SER 83 HG SER 83 14.501 8.390 -6.171 623 H ASP 84 H ASP 84 11.253 5.762 -5.098 624 HA ASP 84 HA ASP 84 12.635 5.166 -2.617 625 HB2 ASP 84 1HB ASP 84 10.784 6.996 -3.108 626 HB3 ASP 84 2HB ASP 84 9.694 5.666 -2.724 627 H THR 85 H THR 85 13.063 2.948 -2.842 628 HA THR 85 HA THR 85 11.254 0.961 -3.547 629 HB THR 85 HB THR 85 12.697 -0.548 -2.069 630 HG1 THR 85 1HG THR 85 13.403 1.239 -0.702 631 HG21 THR 85 1HG2 THR 85 14.544 0.920 -3.851 632 HG22 THR 85 2HG2 THR 85 13.051 0.336 -4.586 633 HG23 THR 85 3HG2 THR 85 14.146 -0.797 -3.796 634 H VAL 86 H VAL 86 11.807 2.518 -0.435 635 HA VAL 86 HA VAL 86 10.332 0.807 1.202 636 HB VAL 86 HB VAL 86 11.798 2.799 1.881 637 HG11 VAL 86 1HG1 VAL 86 10.721 4.532 0.606 638 HG12 VAL 86 2HG1 VAL 86 9.181 4.221 1.409 639 HG13 VAL 86 3HG1 VAL 86 10.535 4.887 2.323 640 HG21 VAL 86 1HG2 VAL 86 10.402 3.189 3.947 641 HG22 VAL 86 2HG2 VAL 86 9.161 2.185 3.198 642 HG23 VAL 86 3HG2 VAL 86 10.745 1.502 3.564 643 H LEU 87 H LEU 87 9.290 3.532 -0.790 644 HA LEU 87 HA LEU 87 6.596 3.531 0.114 645 HB2 LEU 87 1HB LEU 87 7.957 5.351 -1.148 646 HB3 LEU 87 2HB LEU 87 7.416 4.500 -2.594 647 HG LEU 87 HG LEU 87 5.082 4.908 -1.946 648 HD11 LEU 87 1HD1 LEU 87 5.276 4.996 0.443 649 HD12 LEU 87 2HD1 LEU 87 4.634 6.536 -0.127 650 HD13 LEU 87 3HD1 LEU 87 6.327 6.409 0.351 651 HD21 LEU 87 1HD2 LEU 87 6.651 7.478 -1.921 652 HD22 LEU 87 2HD2 LEU 87 5.020 7.210 -2.537 653 HD23 LEU 87 3HD2 LEU 87 6.405 6.500 -3.368 654 H VAL 88 H VAL 88 8.256 2.054 -2.637 655 HA VAL 88 HA VAL 88 5.964 1.038 -3.926 656 HB VAL 88 HB VAL 88 8.795 -0.018 -3.975 657 HG11 VAL 88 1HG1 VAL 88 7.131 -1.677 -4.714 658 HG12 VAL 88 2HG1 VAL 88 6.532 -0.521 -5.906 659 HG13 VAL 88 3HG1 VAL 88 8.178 -1.144 -6.029 660 HG21 VAL 88 1HG2 VAL 88 8.497 2.348 -4.697 661 HG22 VAL 88 2HG2 VAL 88 9.086 1.280 -5.971 662 HG23 VAL 88 3HG2 VAL 88 7.394 1.778 -5.950 663 H HIS 89 H HIS 89 7.895 -0.137 -1.263 664 HA HIS 89 HA HIS 89 6.827 -2.793 -1.287 665 HB2 HIS 89 1HB HIS 89 9.051 -2.028 -0.272 666 HB3 HIS 89 2HB HIS 89 8.098 -1.435 1.085 667 HD1 HIS 89 1HD HIS 89 6.399 -3.474 2.054 668 HD2 HIS 89 2HD HIS 89 9.942 -4.533 0.160 669 HE1 HIS 89 1HE HIS 89 6.887 -5.823 2.806 670 HE2 HIS 89 2HE HIS 89 9.080 -6.412 1.714 671 H ARG 90 H ARG 90 6.013 0.228 0.295 672 HA ARG 90 HA ARG 90 4.085 -0.957 2.068 673 HB2 ARG 90 1HB ARG 90 4.666 1.912 1.324 674 HB3 ARG 90 2HB ARG 90 3.455 1.438 2.507 675 HG2 ARG 90 1HG ARG 90 5.161 0.438 3.902 676 HG3 ARG 90 2HG ARG 90 6.393 0.810 2.695 677 HD2 ARG 90 1HD ARG 90 6.683 2.598 4.077 678 HD3 ARG 90 2HD ARG 90 5.442 3.259 3.013 679 HE ARG 90 HE ARG 90 3.930 3.173 4.753 680 HH11 ARG 90 2HH1 ARG 90 6.862 1.514 5.629 681 HH12 ARG 90 1HH1 ARG 90 6.442 1.384 7.305 682 HH21 ARG 90 2HH2 ARG 90 3.365 3.008 6.957 683 HH22 ARG 90 1HH2 ARG 90 4.452 2.233 8.059 684 H VAL 91 H VAL 91 3.959 0.934 -0.931 685 HA VAL 91 HA VAL 91 1.163 1.110 -1.125 686 HB VAL 91 HB VAL 91 3.239 1.101 -3.319 687 HG11 VAL 91 1HG1 VAL 91 1.591 1.980 -4.791 688 HG12 VAL 91 2HG1 VAL 91 0.907 0.527 -4.059 689 HG13 VAL 91 3HG1 VAL 91 0.411 2.120 -3.488 690 HG21 VAL 91 1HG2 VAL 91 3.314 2.890 -1.507 691 HG22 VAL 91 2HG2 VAL 91 3.235 3.449 -3.178 692 HG23 VAL 91 3HG2 VAL 91 1.787 3.469 -2.172 693 H HIS 92 H HIS 92 3.404 -1.141 -2.749 694 HA HIS 92 HA HIS 92 1.509 -2.706 -4.038 695 HB2 HIS 92 1HB HIS 92 3.948 -2.842 -4.442 696 HB3 HIS 92 2HB HIS 92 4.148 -3.631 -2.881 697 HD1 HIS 92 1HD HIS 92 3.044 -6.051 -2.662 698 HD2 HIS 92 2HD HIS 92 3.279 -4.508 -6.513 699 HE1 HIS 92 1HE HIS 92 2.697 -8.014 -4.195 700 HE2 HIS 92 2HE HIS 92 2.928 -7.071 -6.519 701 H SER 93 H SER 93 2.408 -2.610 -0.696 702 HA SER 93 HA SER 93 1.375 -5.172 0.019 703 HB2 SER 93 1HB SER 93 3.064 -3.872 1.358 704 HB3 SER 93 2HB SER 93 1.763 -2.780 1.830 705 HG SER 93 HG SER 93 1.411 -4.172 3.357 706 H TYR 94 H TYR 94 0.145 -1.860 0.495 707 HA TYR 94 HA TYR 94 -2.282 -2.458 1.657 708 HB2 TYR 94 1HB TYR 94 -1.905 -0.195 1.631 709 HB3 TYR 94 2HB TYR 94 -1.274 -0.209 -0.012 710 HD1 TYR 94 2HD TYR 94 -2.854 -0.286 -1.936 711 HD2 TYR 94 1HD TYR 94 -4.208 0.220 2.066 712 HE1 TYR 94 2HE TYR 94 -5.016 0.531 -2.777 713 HE2 TYR 94 1HE TYR 94 -6.374 1.038 1.236 714 HH TYR 94 HH TYR 94 -7.166 2.200 -1.009 715 H LEU 95 H LEU 95 -1.383 -2.540 -1.743 716 HA LEU 95 HA LEU 95 -4.021 -2.956 -2.732 717 HB2 LEU 95 1HB LEU 95 -1.284 -3.372 -3.899 718 HB3 LEU 95 2HB LEU 95 -2.752 -3.778 -4.786 719 HG LEU 95 HG LEU 95 -2.160 -1.016 -3.739 720 HD11 LEU 95 1HD1 LEU 95 -1.936 -1.576 -6.623 721 HD12 LEU 95 2HD1 LEU 95 -0.632 -2.195 -5.610 722 HD13 LEU 95 3HD1 LEU 95 -1.013 -0.474 -5.601 723 HD21 LEU 95 1HD2 LEU 95 -4.539 -1.859 -4.338 724 HD22 LEU 95 2HD2 LEU 95 -3.977 -1.731 -6.005 725 HD23 LEU 95 3HD2 LEU 95 -3.988 -0.305 -4.966 726 H GLU 96 H GLU 96 -1.239 -5.185 -2.508 727 HA GLU 96 HA GLU 96 -2.700 -7.507 -3.100 728 HB2 GLU 96 1HB GLU 96 -0.272 -7.438 -3.266 729 HB3 GLU 96 2HB GLU 96 -0.136 -7.182 -1.532 730 HG2 GLU 96 1HG GLU 96 -0.748 -9.363 -1.032 731 HG3 GLU 96 2HG GLU 96 -1.489 -9.619 -2.611 732 H ARG 97 H ARG 97 -1.448 -6.455 0.074 733 HA ARG 97 HA ARG 97 -2.564 -8.314 1.706 734 HB2 ARG 97 1HB ARG 97 -2.285 -5.344 2.162 735 HB3 ARG 97 2HB ARG 97 -2.756 -6.468 3.429 736 HG2 ARG 97 1HG ARG 97 -0.218 -6.798 1.863 737 HG3 ARG 97 2HG ARG 97 -0.312 -5.806 3.319 738 HD2 ARG 97 1HD ARG 97 -1.305 -8.627 3.347 739 HD3 ARG 97 2HD ARG 97 0.419 -8.293 3.500 740 HE ARG 97 HE ARG 97 -0.697 -6.676 5.362 741 HH11 ARG 97 2HH1 ARG 97 -0.960 -10.078 4.670 742 HH12 ARG 97 1HH1 ARG 97 -1.255 -10.523 6.318 743 HH21 ARG 97 2HH2 ARG 97 -1.084 -7.250 7.535 744 HH22 ARG 97 1HH2 ARG 97 -1.326 -8.914 7.947 745 H HIS 98 H HIS 98 -4.187 -5.397 0.491 746 HA HIS 98 HA HIS 98 -6.640 -5.828 1.809 747 HB2 HIS 98 1HB HIS 98 -5.829 -4.222 -0.598 748 HB3 HIS 98 2HB HIS 98 -7.521 -4.338 -0.125 749 HD1 HIS 98 1HD HIS 98 -7.994 -2.094 0.839 750 HD2 HIS 98 2HD HIS 98 -4.456 -3.713 2.297 751 HE1 HIS 98 1HE HIS 98 -7.217 -0.509 2.631 752 HE2 HIS 98 2HE HIS 98 -5.031 -1.464 3.439 753 H GLY 99 H GLY 99 -5.449 -6.813 -1.373 754 HA2 GLY 99 1HA GLY 99 -6.176 -8.998 -2.194 755 HA3 GLY 99 2HA GLY 99 -7.774 -8.626 -1.562 756 H LEU 100 H LEU 100 -5.740 -6.375 -3.341 757 HA LEU 100 HA LEU 100 -7.815 -6.259 -5.413 758 HB2 LEU 100 1HB LEU 100 -5.594 -4.277 -5.090 759 HB3 LEU 100 2HB LEU 100 -7.167 -4.060 -5.853 760 HG LEU 100 HG LEU 100 -6.386 -3.845 -3.002 761 HD11 LEU 100 1HD1 LEU 100 -6.792 -1.805 -4.064 762 HD12 LEU 100 2HD1 LEU 100 -8.279 -2.134 -3.175 763 HD13 LEU 100 3HD1 LEU 100 -8.209 -2.424 -4.913 764 HD21 LEU 100 1HD2 LEU 100 -7.916 -5.400 -2.419 765 HD22 LEU 100 2HD2 LEU 100 -8.777 -5.290 -3.955 766 HD23 LEU 100 3HD2 LEU 100 -9.045 -4.076 -2.704 767 H ILE 101 H ILE 101 -4.670 -7.372 -4.847 768 HA ILE 101 HA ILE 101 -4.336 -7.926 -7.699 769 HB ILE 101 HB ILE 101 -1.926 -7.364 -7.588 770 HG12 ILE 101 1HG1 ILE 101 -2.487 -5.782 -5.101 771 HG13 ILE 101 2HG1 ILE 101 -2.011 -7.472 -4.980 772 HG21 ILE 101 1HG2 ILE 101 -4.044 -5.708 -8.048 773 HG22 ILE 101 2HG2 ILE 101 -3.109 -4.788 -6.871 774 HG23 ILE 101 3HG2 ILE 101 -2.358 -5.313 -8.378 775 HD11 ILE 101 1HD1 ILE 101 0.043 -6.973 -6.204 776 HD12 ILE 101 2HD1 ILE 101 -0.434 -5.278 -6.301 777 HD13 ILE 101 3HD1 ILE 101 -0.099 -6.012 -4.733 778 H ASN 102 H ASN 102 -3.303 -9.840 -8.155 779 HA ASN 102 HA ASN 102 -2.491 -11.940 -7.829 780 HB2 ASN 102 1HB ASN 102 -1.515 -10.844 -5.181 781 HB3 ASN 102 2HB ASN 102 -0.985 -12.344 -5.936 782 HD21 ASN 102 1HD2 ASN 102 1.091 -11.116 -5.531 783 HD22 ASN 102 2HD2 ASN 102 1.665 -10.129 -6.827 784 H PHE 103 H PHE 103 -5.083 -11.854 -7.490 785 HA PHE 103 HA PHE 103 -5.600 -13.394 -5.031 786 HB2 PHE 103 1HB PHE 103 -8.005 -12.572 -5.324 787 HB3 PHE 103 2HB PHE 103 -6.823 -11.392 -4.768 788 HD1 PHE 103 1HD PHE 103 -7.953 -12.692 -8.082 789 HD2 PHE 103 2HD PHE 103 -7.136 -9.303 -5.640 790 HE1 PHE 103 1HE PHE 103 -8.569 -11.206 -9.944 791 HE2 PHE 103 2HE PHE 103 -7.751 -7.812 -7.498 792 HZ PHE 103 HZ PHE 103 -8.469 -8.763 -9.653 793 H GLY 104 H GLY 104 -4.773 -14.258 -7.761 794 HA2 GLY 104 1HA GLY 104 -6.881 -16.260 -8.103 795 HA3 GLY 104 2HA GLY 104 -6.456 -15.285 -9.502 796 H ILE 105 H ILE 105 -4.047 -15.256 -10.007 797 HA ILE 105 HA ILE 105 -3.118 -17.597 -10.899 798 HB ILE 105 HB ILE 105 -0.877 -16.756 -10.886 799 HG12 ILE 105 1HG1 ILE 105 -0.926 -16.104 -8.443 800 HG13 ILE 105 2HG1 ILE 105 -0.099 -14.970 -9.505 801 HG21 ILE 105 1HG2 ILE 105 -1.755 -14.118 -11.225 802 HG22 ILE 105 2HG2 ILE 105 -1.574 -15.359 -12.464 803 HG23 ILE 105 3HG2 ILE 105 -3.125 -15.143 -11.653 804 HD11 ILE 105 1HD1 ILE 105 -1.335 -13.398 -8.547 805 HD12 ILE 105 2HD1 ILE 105 -2.695 -14.046 -9.465 806 HD13 ILE 105 3HD1 ILE 105 -2.412 -14.583 -7.809 807 H TYR 106 H TYR 106 -2.953 -16.528 -7.565 808 HA TYR 106 HA TYR 106 -2.262 -19.248 -6.764 809 HB2 TYR 106 1HB TYR 106 -0.419 -18.648 -5.419 810 HB3 TYR 106 2HB TYR 106 -0.153 -17.807 -6.942 811 HD1 TYR 106 1HD TYR 106 -1.774 -17.225 -3.623 812 HD2 TYR 106 2HD TYR 106 0.461 -15.585 -6.850 813 HE1 TYR 106 1HE TYR 106 -1.591 -15.095 -2.406 814 HE2 TYR 106 2HE TYR 106 0.652 -13.451 -5.642 815 HH TYR 106 HH TYR 106 -0.346 -13.120 -2.327 816 H LYS 107 H LYS 107 -3.259 -19.887 -4.930 817 HA LYS 107 HA LYS 107 -4.927 -17.887 -3.563 818 HB2 LYS 107 1HB LYS 107 -5.913 -19.981 -4.736 819 HB3 LYS 107 2HB LYS 107 -5.303 -20.860 -3.340 820 HG2 LYS 107 1HG LYS 107 -7.363 -20.428 -2.543 821 HG3 LYS 107 2HG LYS 107 -6.616 -18.898 -2.078 822 HD2 LYS 107 1HD LYS 107 -7.753 -19.069 -4.809 823 HD3 LYS 107 2HD LYS 107 -8.897 -19.035 -3.464 824 HE2 LYS 107 1HE LYS 107 -6.676 -17.034 -3.844 825 HE3 LYS 107 2HE LYS 107 -8.326 -16.791 -4.412 826 HZ1 LYS 107 1HZ LYS 107 -7.649 -17.338 -1.578 827 HZ2 LYS 107 2HZ LYS 107 -9.133 -16.821 -2.202 828 HZ3 LYS 107 3HZ LYS 107 -7.804 -15.776 -2.209 829 H ARG 108 H ARG 108 -3.441 -17.135 -2.062 830 HA ARG 108 HA ARG 108 -2.147 -19.054 -0.288 831 HB2 ARG 108 1HB ARG 108 -0.726 -17.278 -1.016 832 HB3 ARG 108 2HB ARG 108 -1.924 -16.062 -0.594 833 HG2 ARG 108 1HG ARG 108 -0.499 -15.852 1.169 834 HG3 ARG 108 2HG ARG 108 -1.608 -17.062 1.817 835 HD2 ARG 108 1HD ARG 108 0.994 -17.689 0.429 836 HD3 ARG 108 2HD ARG 108 0.792 -17.600 2.178 837 HE ARG 108 HE ARG 108 -0.106 -19.717 0.422 838 HH11 ARG 108 2HH1 ARG 108 -0.354 -18.227 3.559 839 HH12 ARG 108 1HH1 ARG 108 -0.975 -19.649 4.329 840 HH21 ARG 108 2HH2 ARG 108 -0.922 -21.596 1.425 841 HH22 ARG 108 1HH2 ARG 108 -1.297 -21.565 3.115 842 H ILE 109 H ILE 109 -4.257 -16.196 0.005 843 HA ILE 109 HA ILE 109 -4.743 -16.151 2.680 844 HB ILE 109 HB ILE 109 -6.827 -15.783 0.524 845 HG12 ILE 109 1HG1 ILE 109 -5.301 -13.602 1.923 846 HG13 ILE 109 2HG1 ILE 109 -4.636 -14.396 0.500 847 HG21 ILE 109 1HG2 ILE 109 -7.253 -14.121 2.786 848 HG22 ILE 109 2HG2 ILE 109 -8.293 -15.390 2.141 849 HG23 ILE 109 3HG2 ILE 109 -7.070 -15.781 3.350 850 HD11 ILE 109 1HD1 ILE 109 -7.313 -13.651 -0.069 851 HD12 ILE 109 2HD1 ILE 109 -6.478 -12.262 0.627 852 HD13 ILE 109 3HD1 ILE 109 -5.819 -13.063 -0.799 853 H LYS 110 H LYS 110 -6.424 -18.197 0.308 854 HA LYS 110 HA LYS 110 -8.178 -19.453 2.093 855 HB2 LYS 110 1HB LYS 110 -8.322 -19.537 -0.402 856 HB3 LYS 110 2HB LYS 110 -6.966 -20.657 -0.401 857 HG2 LYS 110 1HG LYS 110 -8.212 -22.370 0.531 858 HG3 LYS 110 2HG LYS 110 -9.423 -21.266 1.187 859 HD2 LYS 110 1HD LYS 110 -10.593 -22.087 -0.592 860 HD3 LYS 110 2HD LYS 110 -9.789 -20.729 -1.382 861 HE2 LYS 110 1HE LYS 110 -9.489 -22.572 -2.821 862 HE3 LYS 110 2HE LYS 110 -7.947 -22.359 -1.994 863 HZ1 LYS 110 1HZ LYS 110 -8.456 -24.166 -0.542 864 HZ2 LYS 110 2HZ LYS 110 -8.698 -24.696 -2.130 865 HZ3 LYS 110 3HZ LYS 110 -10.026 -24.305 -1.157 866 HA PRO 111 HA PRO 111 -5.334 -21.905 4.455 867 HB2 PRO 111 1HB PRO 111 -7.203 -23.354 5.789 868 HB3 PRO 111 2HB PRO 111 -6.826 -21.674 6.187 869 HG2 PRO 111 1HG PRO 111 -9.086 -22.774 4.561 870 HG3 PRO 111 2HG PRO 111 -9.109 -21.493 5.788 871 HD2 PRO 111 1HD PRO 111 -9.098 -20.966 3.132 872 HD3 PRO 111 2HD PRO 111 -8.322 -19.899 4.320 873 H LEU 112 H LEU 112 -5.031 -24.281 4.939 874 HA LEU 112 HA LEU 112 -6.175 -26.082 2.957 875 HB2 LEU 112 1HB LEU 112 -3.202 -26.054 3.256 876 HB3 LEU 112 2HB LEU 112 -4.186 -26.718 1.953 877 HG LEU 112 HG LEU 112 -4.016 -23.757 2.403 878 HD11 LEU 112 1HD1 LEU 112 -1.734 -25.041 2.117 879 HD12 LEU 112 2HD1 LEU 112 -2.054 -23.535 1.258 880 HD13 LEU 112 3HD1 LEU 112 -2.233 -25.079 0.426 881 HD21 LEU 112 1HD2 LEU 112 -5.301 -23.681 0.597 882 HD22 LEU 112 2HD2 LEU 112 -5.400 -25.442 0.622 883 HD23 LEU 112 3HD2 LEU 112 -4.136 -24.642 -0.314 884 HA PRO 113 HA PRO 113 -6.028 -28.876 6.355 885 HB2 PRO 113 1HB PRO 113 -6.220 -31.219 4.998 886 HB3 PRO 113 2HB PRO 113 -7.585 -30.117 5.209 887 HG2 PRO 113 1HG PRO 113 -5.772 -30.457 2.851 888 HG3 PRO 113 2HG PRO 113 -7.533 -30.259 2.888 889 HD2 PRO 113 1HD PRO 113 -5.850 -28.218 2.314 890 HD3 PRO 113 2HD PRO 113 -7.397 -27.973 3.149 891 H THR 114 H THR 114 -4.925 -31.156 6.792 892 HA THR 114 HA THR 114 -2.079 -30.843 6.093 893 HB THR 114 HB THR 114 -1.556 -32.009 8.198 894 HG1 THR 114 1HG THR 114 -3.888 -32.931 8.157 895 HG21 THR 114 1HG2 THR 114 -1.844 -29.488 8.039 896 HG22 THR 114 2HG2 THR 114 -1.952 -30.187 9.655 897 HG23 THR 114 3HG2 THR 114 -3.420 -29.721 8.796 898 H LYS 115 H LYS 115 -1.824 -32.184 4.377 899 HA LYS 115 HA LYS 115 -2.717 -34.973 4.683 900 HB2 LYS 115 1HB LYS 115 -3.597 -33.671 2.721 901 HB3 LYS 115 2HB LYS 115 -1.947 -33.567 2.122 902 HG2 LYS 115 1HG LYS 115 -2.014 -36.169 2.347 903 HG3 LYS 115 2HG LYS 115 -3.761 -35.924 2.285 904 HD2 LYS 115 1HD LYS 115 -3.605 -34.852 0.154 905 HD3 LYS 115 2HD LYS 115 -1.842 -34.809 0.244 906 HE2 LYS 115 1HE LYS 115 -2.410 -36.592 -1.213 907 HE3 LYS 115 2HE LYS 115 -1.892 -37.323 0.305 908 HZ1 LYS 115 1HZ LYS 115 -3.850 -38.307 0.517 909 HZ2 LYS 115 2HZ LYS 115 -4.266 -37.760 -1.029 910 HZ3 LYS 115 3HZ LYS 115 -4.684 -36.846 0.332 911 H LYS 116 H LYS 116 -1.277 -36.633 4.496 912 HA LYS 116 HA LYS 116 1.447 -36.107 5.043 913 HB2 LYS 116 1HB LYS 116 -0.169 -38.552 4.465 914 HB3 LYS 116 2HB LYS 116 1.585 -38.669 4.404 915 HG2 LYS 116 1HG LYS 116 1.023 -39.300 6.577 916 HG3 LYS 116 2HG LYS 116 1.567 -37.628 6.731 917 HD2 LYS 116 1HD LYS 116 -1.001 -37.128 6.379 918 HD3 LYS 116 2HD LYS 116 -1.170 -38.775 6.991 919 HE2 LYS 116 1HE LYS 116 0.490 -36.710 8.408 920 HE3 LYS 116 2HE LYS 116 -1.244 -36.864 8.689 921 HZ1 LYS 116 1HZ LYS 116 -0.870 -39.191 9.311 922 HZ2 LYS 116 2HZ LYS 116 -0.027 -38.125 10.318 923 HZ3 LYS 116 3HZ LYS 116 0.797 -38.980 9.113 924 H THR 117 H THR 117 2.218 -34.792 3.359 925 HA THR 117 HA THR 117 2.832 -36.272 0.893 926 HB THR 117 HB THR 117 1.027 -34.666 0.402 927 HG1 THR 117 1HG THR 117 2.921 -33.336 -0.958 928 HG21 THR 117 1HG2 THR 117 1.854 -33.033 2.211 929 HG22 THR 117 2HG2 THR 117 1.225 -32.352 0.711 930 HG23 THR 117 3HG2 THR 117 2.966 -32.445 0.976 931 H GLY 118 H GLY 118 4.682 -35.305 -0.318 932 HA2 GLY 118 1HA GLY 118 6.744 -34.497 1.604 933 HA3 GLY 118 2HA GLY 118 7.030 -35.175 0.008 934 H SER 119 H SER 119 6.496 -32.301 1.846 935 HA SER 119 HA SER 119 7.088 -30.706 -0.554 936 HB2 SER 119 1HB SER 119 4.659 -30.554 0.193 937 HB3 SER 119 2HB SER 119 5.253 -29.757 1.650 938 HG SER 119 HG SER 119 6.413 -28.421 -0.148 939 H GLY 120 H GLY 120 8.305 -28.805 -0.212 940 HA2 GLY 120 1HA GLY 120 10.440 -28.942 1.488 941 HA3 GLY 120 2HA GLY 120 9.815 -27.428 0.852 942 HA PRO 121 HA PRO 121 9.304 -27.835 5.570 943 HB2 PRO 121 1HB PRO 121 11.317 -26.181 6.332 944 HB3 PRO 121 2HB PRO 121 11.532 -27.923 6.125 945 HG2 PRO 121 1HG PRO 121 12.221 -25.693 4.250 946 HG3 PRO 121 2HG PRO 121 13.163 -27.137 4.666 947 HD2 PRO 121 1HD PRO 121 11.721 -26.946 2.382 948 HD3 PRO 121 2HD PRO 121 11.964 -28.486 3.231 949 H SER 122 H SER 122 9.223 -25.582 3.106 950 HA SER 122 HA SER 122 8.999 -23.091 4.110 951 HB2 SER 122 1HB SER 122 7.327 -22.606 2.400 952 HB3 SER 122 2HB SER 122 8.551 -23.694 1.748 953 HG SER 122 HG SER 122 6.661 -24.602 1.163 954 H SER 123 H SER 123 8.262 -22.705 6.125 955 HA SER 123 HA SER 123 5.721 -23.825 6.996 956 HB2 SER 123 1HB SER 123 7.845 -22.201 8.399 957 HB3 SER 123 2HB SER 123 6.308 -22.617 9.157 958 HG SER 123 HG SER 123 8.509 -24.118 8.896 959 H GLY 124 H GLY 124 7.193 -20.626 6.507 960 HA2 GLY 124 1HA GLY 124 6.098 -18.740 5.640 961 HA3 GLY 124 2HA GLY 124 4.557 -19.548 5.888
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