NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9424 | 1ny4 | 5691 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -1.822 -5.855 -19.645 2 HA MET 1 HA MET 1 -2.333 -6.197 -22.482 3 1HB MET 1 1HB MET 1 -0.964 -3.907 -21.080 4 2HB MET 1 2HB MET 1 -0.176 -4.488 -22.534 5 1HG MET 1 1HG MET 1 -2.224 -4.130 -23.855 6 2HG MET 1 2HG MET 1 -3.132 -3.720 -22.413 7 1HE MET 1 1HE MET 1 0.639 -1.637 -23.664 8 2HE MET 1 2HE MET 1 0.031 -3.230 -24.177 9 3HE MET 1 3HE MET 1 -0.432 -1.768 -25.080 10 H ALA 2 H ALA 2 -1.620 -8.289 -20.829 11 HA ALA 2 HA ALA 2 -0.167 -9.984 -20.908 12 1HB ALA 2 1HB ALA 2 2.173 -8.626 -22.043 13 2HB ALA 2 2HB ALA 2 1.289 -10.055 -22.631 14 3HB ALA 2 3HB ALA 2 0.714 -8.421 -23.042 15 H GLU 3 H GLU 3 1.587 -6.837 -20.399 16 HA GLU 3 HA GLU 3 3.482 -7.545 -18.728 17 1HB GLU 3 1HB GLU 3 2.683 -5.303 -17.414 18 2HB GLU 3 2HB GLU 3 3.499 -5.269 -18.964 19 1HG GLU 3 1HG GLU 3 1.546 -4.781 -20.152 20 2HG GLU 3 2HG GLU 3 0.507 -5.592 -18.997 21 HE2 GLU 3 HE2 GLU 3 -0.734 -3.733 -18.922 22 H ASP 4 H ASP 4 3.615 -8.829 -16.944 23 HA ASP 4 HA ASP 4 1.622 -8.483 -14.906 24 1HB ASP 4 1HB ASP 4 1.672 -10.770 -16.714 25 2HB ASP 4 2HB ASP 4 2.026 -11.309 -15.085 26 HD2 ASP 4 HD2 ASP 4 -1.048 -10.258 -13.824 27 H GLU 5 H GLU 5 4.637 -8.131 -15.563 28 HA GLU 5 HA GLU 5 5.861 -10.073 -13.848 29 1HB GLU 5 1HB GLU 5 6.713 -8.272 -15.945 30 2HB GLU 5 2HB GLU 5 7.683 -7.962 -14.519 31 1HG GLU 5 1HG GLU 5 8.506 -10.192 -14.429 32 2HG GLU 5 2HG GLU 5 7.195 -10.820 -15.408 33 HE2 GLU 5 HE2 GLU 5 9.739 -11.390 -16.548 34 H GLY 6 H GLY 6 3.872 -7.693 -13.082 35 1HA GLY 6 1HA GLY 6 5.004 -7.254 -10.501 36 2HA GLY 6 2HA GLY 6 5.144 -5.826 -11.508 37 H TYR 7 H TYR 7 3.254 -7.136 -9.171 38 HA TYR 7 HA TYR 7 0.718 -6.311 -10.380 39 1HB TYR 7 1HB TYR 7 -0.124 -7.473 -8.246 40 2HB TYR 7 2HB TYR 7 0.811 -8.532 -9.284 41 HD1 TYR 7 HD1 TYR 7 3.030 -9.314 -8.620 42 HD2 TYR 7 HD2 TYR 7 0.778 -6.690 -6.100 43 HE1 TYR 7 HE1 TYR 7 4.585 -9.834 -6.676 44 HE2 TYR 7 HE2 TYR 7 2.340 -7.219 -4.165 45 HH TYR 7 HH TYR 7 3.844 -9.273 -3.578 46 HA PRO 8 HA PRO 8 1.185 -2.635 -8.035 47 1HB PRO 8 1HB PRO 8 -0.928 -1.282 -9.120 48 2HB PRO 8 2HB PRO 8 0.673 -1.292 -9.834 49 1HG PRO 8 1HG PRO 8 -1.754 -2.738 -10.705 50 2HG PRO 8 2HG PRO 8 -0.296 -2.395 -11.614 51 1HD PRO 8 1HD PRO 8 -1.032 -4.903 -10.434 52 2HD PRO 8 2HD PRO 8 0.477 -4.528 -11.242 53 H ALA 9 H ALA 9 0.304 -1.612 -6.213 54 HA ALA 9 HA ALA 9 -2.186 -2.900 -5.341 55 1HB ALA 9 1HB ALA 9 -1.260 -3.122 -3.099 56 2HB ALA 9 2HB ALA 9 -0.178 -3.933 -4.256 57 3HB ALA 9 3HB ALA 9 0.252 -2.333 -3.608 58 H GLU 10 H GLU 10 -3.710 -1.495 -4.540 59 HA GLU 10 HA GLU 10 -2.861 1.284 -4.463 60 1HB GLU 10 1HB GLU 10 -4.804 0.373 -5.972 61 2HB GLU 10 2HB GLU 10 -5.743 0.338 -4.493 62 1HG GLU 10 1HG GLU 10 -4.506 2.868 -4.435 63 2HG GLU 10 2HG GLU 10 -4.916 2.647 -6.125 64 HE2 GLU 10 HE2 GLU 10 -7.416 3.800 -6.062 65 H VAL 11 H VAL 11 -3.064 2.528 -2.594 66 HA VAL 11 HA VAL 11 -3.175 1.203 -0.149 67 HB VAL 11 HB VAL 11 -3.559 4.123 -0.838 68 1HG1 VAL 11 1HG1 VAL 11 -4.273 3.236 1.512 69 2HG1 VAL 11 2HG1 VAL 11 -2.521 3.110 1.801 70 3HG1 VAL 11 3HG1 VAL 11 -3.246 4.685 1.397 71 1HG2 VAL 11 1HG2 VAL 11 -1.019 2.803 0.133 72 2HG2 VAL 11 2HG2 VAL 11 -1.421 2.918 -1.597 73 3HG2 VAL 11 3HG2 VAL 11 -1.229 4.399 -0.628 74 H ILE 12 H ILE 12 -4.831 0.543 1.137 75 HA ILE 12 HA ILE 12 -7.516 1.306 0.257 76 HB ILE 12 HB ILE 12 -8.120 -0.677 1.775 77 1HG1 ILE 12 1HG1 ILE 12 -5.391 -1.741 1.225 78 2HG1 ILE 12 2HG1 ILE 12 -5.550 -0.619 2.561 79 1HG2 ILE 12 1HG2 ILE 12 -8.261 -0.632 -0.696 80 2HG2 ILE 12 2HG2 ILE 12 -6.578 -1.206 -0.779 81 3HG2 ILE 12 3HG2 ILE 12 -7.834 -2.234 -0.049 82 1HD1 ILE 12 1HD1 ILE 12 -7.265 -2.003 3.617 83 2HD1 ILE 12 2HD1 ILE 12 -7.325 -3.076 2.198 84 3HD1 ILE 12 3HD1 ILE 12 -5.869 -3.035 3.221 85 H GLU 13 H GLU 13 -5.256 1.250 3.037 86 HA GLU 13 HA GLU 13 -6.667 3.409 4.187 87 1HB GLU 13 1HB GLU 13 -8.139 1.634 5.004 88 2HB GLU 13 2HB GLU 13 -6.773 0.701 5.582 89 1HG GLU 13 1HG GLU 13 -6.497 2.005 7.465 90 2HG GLU 13 2HG GLU 13 -6.899 3.492 6.628 91 HE2 GLU 13 HE2 GLU 13 -9.268 3.719 6.175 92 H ILE 14 H ILE 14 -5.362 4.528 5.724 93 HA ILE 14 HA ILE 14 -2.613 3.575 5.767 94 HB ILE 14 HB ILE 14 -3.797 6.244 6.540 95 1HG1 ILE 14 1HG1 ILE 14 -2.181 5.753 4.057 96 2HG1 ILE 14 2HG1 ILE 14 -3.891 5.372 4.059 97 1HG2 ILE 14 1HG2 ILE 14 -1.122 5.082 6.811 98 2HG2 ILE 14 2HG2 ILE 14 -1.140 6.629 5.931 99 3HG2 ILE 14 3HG2 ILE 14 -1.834 6.527 7.567 100 1HD1 ILE 14 1HD1 ILE 14 -3.149 7.777 3.342 101 2HD1 ILE 14 2HD1 ILE 14 -4.533 7.618 4.449 102 3HD1 ILE 14 3HD1 ILE 14 -2.931 8.060 5.086 103 H ILE 15 H ILE 15 -1.493 3.044 7.638 104 HA ILE 15 HA ILE 15 -3.181 2.446 9.900 105 HB ILE 15 HB ILE 15 -0.284 1.874 9.275 106 1HG1 ILE 15 1HG1 ILE 15 -2.251 -0.313 9.569 107 2HG1 ILE 15 2HG1 ILE 15 -2.517 0.731 8.186 108 1HG2 ILE 15 1HG2 ILE 15 -0.958 0.148 11.276 109 2HG2 ILE 15 2HG2 ILE 15 -0.054 1.665 11.496 110 3HG2 ILE 15 3HG2 ILE 15 -1.810 1.626 11.781 111 1HD1 ILE 15 1HD1 ILE 15 0.328 0.145 8.449 112 2HD1 ILE 15 2HD1 ILE 15 -0.619 -1.361 8.404 113 3HD1 ILE 15 3HD1 ILE 15 -0.763 -0.179 7.080 114 H GLY 16 H GLY 16 -0.004 4.161 9.442 115 1HA GLY 16 1HA GLY 16 -0.614 6.549 10.588 116 2HA GLY 16 2HA GLY 16 -0.297 5.513 11.965 117 H ARG 17 H ARG 17 1.691 6.311 12.658 118 HA ARG 17 HA ARG 17 3.750 6.528 10.640 119 1HB ARG 17 1HB ARG 17 3.113 8.217 12.694 120 2HB ARG 17 2HB ARG 17 4.307 7.227 13.511 121 1HG ARG 17 1HG ARG 17 6.021 8.206 12.383 122 2HG ARG 17 2HG ARG 17 5.247 7.935 10.834 123 1HD ARG 17 1HD ARG 17 4.105 10.009 10.884 124 2HD ARG 17 2HD ARG 17 4.193 10.135 12.630 125 HE ARG 17 HE ARG 17 6.835 10.232 11.990 126 1HH1 ARG 17 1HH1 ARG 17 4.068 11.941 10.583 127 2HH1 ARG 17 2HH1 ARG 17 5.002 13.323 10.115 128 1HH2 ARG 17 1HH2 ARG 17 7.350 13.368 10.590 129 H THR 18 H THR 18 6.081 5.862 11.600 130 HA THR 18 HA THR 18 5.823 3.407 13.181 131 HB THR 18 HB THR 18 7.092 3.742 10.419 132 HG1 THR 18 HG1 THR 18 5.088 2.086 11.775 133 1HG2 THR 18 1HG2 THR 18 8.475 1.969 10.830 134 2HG2 THR 18 2HG2 THR 18 8.072 2.116 12.557 135 3HG2 THR 18 3HG2 THR 18 7.121 1.035 11.511 136 H GLY 19 H GLY 19 8.002 5.879 11.705 137 1HA GLY 19 1HA GLY 19 9.906 6.798 12.465 138 2HA GLY 19 2HA GLY 19 9.250 6.571 14.074 139 H THR 20 H THR 20 11.203 5.974 15.093 140 HA THR 20 HA THR 20 12.806 4.597 15.785 141 HB THR 20 HB THR 20 10.998 2.605 14.333 142 HG1 THR 20 HG1 THR 20 11.633 3.437 17.075 143 1HG2 THR 20 1HG2 THR 20 13.643 2.054 15.023 144 2HG2 THR 20 2HG2 THR 20 12.767 1.641 16.517 145 3HG2 THR 20 3HG2 THR 20 12.335 0.847 14.983 146 H THR 21 H THR 21 12.195 3.035 12.582 147 HA THR 21 HA THR 21 14.928 2.886 11.988 148 HB THR 21 HB THR 21 12.306 2.586 10.486 149 HG1 THR 21 HG1 THR 21 13.042 0.427 10.688 150 1HG2 THR 21 1HG2 THR 21 15.065 2.055 9.283 151 2HG2 THR 21 2HG2 THR 21 13.483 1.913 8.480 152 3HG2 THR 21 3HG2 THR 21 14.128 3.519 8.898 153 H GLY 22 H GLY 22 12.454 5.379 11.281 154 1HA GLY 22 1HA GLY 22 14.007 7.554 11.241 155 2HA GLY 22 2HA GLY 22 14.328 6.887 9.653 156 H ASP 23 H ASP 23 11.644 7.881 11.864 157 HA ASP 23 HA ASP 23 9.598 8.528 11.466 158 1HB ASP 23 1HB ASP 23 10.884 9.906 9.061 159 2HB ASP 23 2HB ASP 23 9.360 10.366 9.795 160 HD2 ASP 23 HD2 ASP 23 10.795 11.846 12.553 161 H VAL 24 H VAL 24 9.760 5.968 10.540 162 HA VAL 24 HA VAL 24 9.161 5.765 7.753 163 HB VAL 24 HB VAL 24 9.059 3.813 10.058 164 1HG1 VAL 24 1HG1 VAL 24 9.023 2.070 8.217 165 2HG1 VAL 24 2HG1 VAL 24 7.511 2.980 8.451 166 3HG1 VAL 24 3HG1 VAL 24 8.592 3.383 7.095 167 1HG2 VAL 24 1HG2 VAL 24 11.089 4.344 7.870 168 2HG2 VAL 24 2HG2 VAL 24 11.312 4.481 9.631 169 3HG2 VAL 24 3HG2 VAL 24 11.095 2.881 8.883 170 H THR 25 H THR 25 7.105 4.841 6.911 171 HA THR 25 HA THR 25 4.805 5.388 8.642 172 HB THR 25 HB THR 25 5.415 6.592 5.899 173 HG1 THR 25 HG1 THR 25 4.453 7.637 8.464 174 1HG2 THR 25 1HG2 THR 25 3.011 7.676 6.796 175 2HG2 THR 25 2HG2 THR 25 3.148 6.454 5.510 176 3HG2 THR 25 3HG2 THR 25 2.810 5.951 7.184 177 H GLN 26 H GLN 26 3.714 3.540 8.815 178 HA GLN 26 HA GLN 26 3.933 1.668 6.634 179 1HB GLN 26 1HB GLN 26 3.523 1.510 9.513 180 2HB GLN 26 2HB GLN 26 2.267 0.612 8.685 181 1HG GLN 26 1HG GLN 26 5.091 0.248 7.707 182 2HG GLN 26 2HG GLN 26 4.679 -0.470 9.251 183 1HE2 GLN 26 1HE2 GLN 26 4.401 -2.546 8.934 184 2HE2 GLN 26 2HE2 GLN 26 3.414 -3.296 7.724 185 H VAL 27 H VAL 27 2.256 1.128 5.241 186 HA VAL 27 HA VAL 27 -0.395 2.169 5.887 187 HB VAL 27 HB VAL 27 -0.579 2.934 3.505 188 1HG1 VAL 27 1HG1 VAL 27 -0.446 4.829 4.711 189 2HG1 VAL 27 2HG1 VAL 27 0.897 4.217 5.706 190 3HG1 VAL 27 3HG1 VAL 27 1.225 4.921 4.104 191 1HG2 VAL 27 1HG2 VAL 27 2.323 3.349 3.245 192 2HG2 VAL 27 2HG2 VAL 27 1.823 1.643 3.146 193 3HG2 VAL 27 3HG2 VAL 27 1.120 2.843 2.034 194 H LYS 28 H LYS 28 -2.126 1.028 4.772 195 HA LYS 28 HA LYS 28 -1.247 -1.651 3.990 196 1HB LYS 28 1HB LYS 28 -3.626 -0.547 5.399 197 2HB LYS 28 2HB LYS 28 -3.908 -1.909 4.334 198 1HG LYS 28 1HG LYS 28 -2.052 -3.165 5.496 199 2HG LYS 28 2HG LYS 28 -1.853 -1.814 6.594 200 1HD LYS 28 1HD LYS 28 -4.182 -2.081 7.400 201 2HD LYS 28 2HD LYS 28 -4.461 -3.366 6.242 202 1HE LYS 28 1HE LYS 28 -3.901 -4.683 8.060 203 2HE LYS 28 2HE LYS 28 -2.283 -4.422 7.439 204 1HZ LYS 28 1HZ LYS 28 -1.937 -3.656 9.538 205 2HZ LYS 28 2HZ LYS 28 -2.582 -2.262 8.997 206 H VAL 29 H VAL 29 -1.542 -2.410 1.938 207 HA VAL 29 HA VAL 29 -3.249 -0.799 0.181 208 HB VAL 29 HB VAL 29 -1.587 -0.982 -1.583 209 1HG1 VAL 29 1HG1 VAL 29 -1.326 0.589 0.810 210 2HG1 VAL 29 2HG1 VAL 29 0.294 0.226 0.169 211 3HG1 VAL 29 3HG1 VAL 29 -0.916 1.020 -0.867 212 1HG2 VAL 29 1HG2 VAL 29 -0.187 -2.746 -1.395 213 2HG2 VAL 29 2HG2 VAL 29 0.828 -1.604 -0.481 214 3HG2 VAL 29 3HG2 VAL 29 -0.241 -2.735 0.385 215 H ARG 30 H ARG 30 -4.145 -2.006 -1.636 216 HA ARG 30 HA ARG 30 -4.098 -4.863 -1.072 217 1HB ARG 30 1HB ARG 30 -6.317 -3.935 -0.619 218 2HB ARG 30 2HB ARG 30 -6.336 -3.084 -2.151 219 1HG ARG 30 1HG ARG 30 -6.466 -5.164 -3.406 220 2HG ARG 30 2HG ARG 30 -6.131 -6.121 -1.977 221 1HD ARG 30 1HD ARG 30 -8.436 -6.333 -1.973 222 2HD ARG 30 2HD ARG 30 -8.329 -4.844 -1.056 223 HE ARG 30 HE ARG 30 -8.377 -4.209 -3.856 224 1HH1 ARG 30 1HH1 ARG 30 -10.515 -5.404 -1.296 225 2HH1 ARG 30 2HH1 ARG 30 -11.954 -4.791 -2.041 226 1HH2 ARG 30 1HH2 ARG 30 -11.789 -3.617 -4.123 227 H ILE 31 H ILE 31 -4.117 -6.323 -2.936 228 HA ILE 31 HA ILE 31 -2.647 -5.296 -5.135 229 HB ILE 31 HB ILE 31 -3.926 -7.988 -4.642 230 1HG1 ILE 31 1HG1 ILE 31 -1.146 -6.913 -4.114 231 2HG1 ILE 31 2HG1 ILE 31 -2.300 -7.516 -2.942 232 1HG2 ILE 31 1HG2 ILE 31 -1.951 -7.099 -6.760 233 2HG2 ILE 31 2HG2 ILE 31 -2.337 -8.794 -6.378 234 3HG2 ILE 31 3HG2 ILE 31 -3.603 -7.713 -7.008 235 1HD1 ILE 31 1HD1 ILE 31 -2.213 -9.769 -4.164 236 2HD1 ILE 31 2HD1 ILE 31 -0.839 -9.113 -5.086 237 3HD1 ILE 31 3HD1 ILE 31 -0.720 -9.294 -3.319 238 H LEU 32 H LEU 32 -3.332 -4.554 -7.091 239 HA LEU 32 HA LEU 32 -6.191 -4.293 -7.426 240 1HB LEU 32 1HB LEU 32 -3.760 -3.135 -8.751 241 2HB LEU 32 2HB LEU 32 -5.330 -3.021 -9.521 242 HG LEU 32 HG LEU 32 -4.690 -1.978 -6.748 243 1HD1 LEU 32 1HD1 LEU 32 -3.620 -0.347 -7.840 244 2HD1 LEU 32 2HD1 LEU 32 -4.299 -0.821 -9.415 245 3HD1 LEU 32 3HD1 LEU 32 -5.243 0.209 -8.313 246 1HD2 LEU 32 1HD2 LEU 32 -7.166 -2.592 -7.907 247 2HD2 LEU 32 2HD2 LEU 32 -6.860 -1.618 -6.449 248 3HD2 LEU 32 3HD2 LEU 32 -7.009 -0.824 -8.035 249 H GLU 33 H GLU 33 -3.460 -6.191 -8.653 250 HA GLU 33 HA GLU 33 -5.229 -8.022 -9.815 251 1HB GLU 33 1HB GLU 33 -4.830 -5.915 -11.511 252 2HB GLU 33 2HB GLU 33 -3.478 -6.929 -11.976 253 1HG GLU 33 1HG GLU 33 -4.921 -8.780 -12.538 254 2HG GLU 33 2HG GLU 33 -6.296 -8.055 -11.729 255 HE2 GLU 33 HE2 GLU 33 -7.312 -8.283 -13.756 256 H GLY 34 H GLY 34 -3.894 -9.795 -11.054 257 1HA GLY 34 1HA GLY 34 -1.631 -10.612 -11.426 258 2HA GLY 34 2HA GLY 34 -1.183 -9.929 -9.875 259 H ARG 35 H ARG 35 -3.660 -12.186 -11.294 260 HA ARG 35 HA ARG 35 -4.394 -14.113 -10.649 261 1HB ARG 35 1HB ARG 35 -1.667 -14.210 -9.927 262 2HB ARG 35 2HB ARG 35 -2.494 -14.772 -8.489 263 1HG ARG 35 1HG ARG 35 -3.785 -16.023 -10.728 264 2HG ARG 35 2HG ARG 35 -2.059 -16.174 -10.991 265 1HD ARG 35 1HD ARG 35 -1.809 -17.663 -9.269 266 2HD ARG 35 2HD ARG 35 -2.810 -16.718 -8.185 267 HE ARG 35 HE ARG 35 -4.624 -18.080 -8.735 268 1HH1 ARG 35 1HH1 ARG 35 -2.195 -18.366 -11.299 269 2HH1 ARG 35 2HH1 ARG 35 -3.053 -19.612 -12.143 270 1HH2 ARG 35 1HH2 ARG 35 -5.144 -20.394 -11.273 271 H ASP 36 H ASP 36 -2.831 -13.119 -7.517 272 HA ASP 36 HA ASP 36 -4.835 -13.898 -5.899 273 1HB ASP 36 1HB ASP 36 -3.131 -11.387 -5.541 274 2HB ASP 36 2HB ASP 36 -3.935 -12.264 -4.254 275 HD2 ASP 36 HD2 ASP 36 -2.120 -15.124 -5.026 276 H LYS 37 H LYS 37 -4.224 -10.517 -7.141 277 HA LYS 37 HA LYS 37 -5.552 -8.712 -7.098 278 1HB LYS 37 1HB LYS 37 -6.004 -9.801 -9.250 279 2HB LYS 37 2HB LYS 37 -7.320 -10.712 -8.538 280 1HG LYS 37 1HG LYS 37 -8.078 -8.197 -7.793 281 2HG LYS 37 2HG LYS 37 -7.189 -7.802 -9.251 282 1HD LYS 37 1HD LYS 37 -8.623 -9.102 -10.637 283 2HD LYS 37 2HD LYS 37 -9.225 -10.051 -9.292 284 1HE LYS 37 1HE LYS 37 -10.397 -8.035 -8.387 285 2HE LYS 37 2HE LYS 37 -9.783 -7.075 -9.718 286 1HZ LYS 37 1HZ LYS 37 -11.221 -8.073 -11.184 287 2HZ LYS 37 2HZ LYS 37 -11.234 -9.514 -10.425 288 H GLY 38 H GLY 38 -5.896 -8.351 -4.867 289 1HA GLY 38 1HA GLY 38 -7.946 -7.710 -3.643 290 2HA GLY 38 2HA GLY 38 -8.493 -9.360 -3.866 291 H ARG 39 H ARG 39 -5.129 -8.263 -3.140 292 HA ARG 39 HA ARG 39 -5.401 -9.704 -0.624 293 1HB ARG 39 1HB ARG 39 -3.806 -10.605 -2.503 294 2HB ARG 39 2HB ARG 39 -2.766 -9.257 -2.088 295 1HG ARG 39 1HG ARG 39 -1.884 -10.732 -0.566 296 2HG ARG 39 2HG ARG 39 -3.245 -10.235 0.419 297 1HD ARG 39 1HD ARG 39 -4.559 -12.165 -0.261 298 2HD ARG 39 2HD ARG 39 -3.420 -12.579 -1.526 299 HE ARG 39 HE ARG 39 -1.803 -12.701 0.657 300 1HH1 ARG 39 1HH1 ARG 39 -5.050 -14.016 0.129 301 2HH1 ARG 39 2HH1 ARG 39 -4.822 -15.348 1.213 302 1HH2 ARG 39 1HH2 ARG 39 -2.727 -15.588 2.354 303 H VAL 40 H VAL 40 -5.370 -8.316 1.116 304 HA VAL 40 HA VAL 40 -4.149 -5.701 0.749 305 HB VAL 40 HB VAL 40 -5.377 -5.052 2.672 306 1HG1 VAL 40 1HG1 VAL 40 -6.679 -6.404 0.446 307 2HG1 VAL 40 2HG1 VAL 40 -7.691 -6.424 1.910 308 3HG1 VAL 40 3HG1 VAL 40 -7.100 -4.877 1.257 309 1HG2 VAL 40 1HG2 VAL 40 -5.180 -6.697 4.285 310 2HG2 VAL 40 2HG2 VAL 40 -6.876 -6.904 3.785 311 3HG2 VAL 40 3HG2 VAL 40 -5.624 -8.006 3.163 312 H ILE 41 H ILE 41 -2.227 -5.108 1.657 313 HA ILE 41 HA ILE 41 -1.164 -6.838 3.761 314 HB ILE 41 HB ILE 41 1.036 -6.811 2.685 315 1HG1 ILE 41 1HG1 ILE 41 -0.265 -5.849 0.141 316 2HG1 ILE 41 2HG1 ILE 41 0.422 -4.713 1.285 317 1HG2 ILE 41 1HG2 ILE 41 -0.924 -7.990 0.726 318 2HG2 ILE 41 2HG2 ILE 41 0.643 -8.628 1.279 319 3HG2 ILE 41 3HG2 ILE 41 -0.758 -8.635 2.377 320 1HD1 ILE 41 1HD1 ILE 41 2.622 -5.698 1.099 321 2HD1 ILE 41 2HD1 ILE 41 1.981 -7.102 0.210 322 3HD1 ILE 41 3HD1 ILE 41 2.006 -5.497 -0.559 323 H ARG 42 H ARG 42 1.011 -5.667 4.595 324 HA ARG 42 HA ARG 42 0.308 -2.847 4.773 325 1HB ARG 42 1HB ARG 42 1.388 -3.002 7.125 326 2HB ARG 42 2HB ARG 42 -0.185 -3.748 6.935 327 1HG ARG 42 1HG ARG 42 2.121 -5.535 6.312 328 2HG ARG 42 2HG ARG 42 2.029 -5.019 7.984 329 1HD ARG 42 1HD ARG 42 -0.625 -5.670 7.440 330 2HD ARG 42 2HD ARG 42 0.240 -6.849 6.476 331 HE ARG 42 HE ARG 42 1.543 -6.866 8.956 332 1HH1 ARG 42 1HH1 ARG 42 -1.765 -7.458 7.831 333 2HH1 ARG 42 2HH1 ARG 42 -2.133 -8.568 9.109 334 1HH2 ARG 42 1HH2 ARG 42 -0.459 -9.066 10.750 335 H ARG 43 H ARG 43 1.848 -1.834 3.488 336 HA ARG 43 HA ARG 43 4.544 -2.872 3.631 337 1HB ARG 43 1HB ARG 43 2.943 -1.334 1.627 338 2HB ARG 43 2HB ARG 43 4.626 -0.859 1.737 339 1HG ARG 43 1HG ARG 43 3.956 -3.805 1.591 340 2HG ARG 43 2HG ARG 43 3.869 -2.849 0.125 341 1HD ARG 43 1HD ARG 43 6.107 -3.628 0.116 342 2HD ARG 43 2HD ARG 43 6.263 -2.003 0.754 343 HE ARG 43 HE ARG 43 5.860 -4.059 2.817 344 1HH1 ARG 43 1HH1 ARG 43 8.253 -2.273 0.909 345 2HH1 ARG 43 2HH1 ARG 43 9.541 -2.554 2.032 346 1HH2 ARG 43 1HH2 ARG 43 9.110 -3.824 4.019 347 H ASN 44 H ASN 44 6.322 -1.558 4.306 348 HA ASN 44 HA ASN 44 5.476 0.885 5.639 349 1HB ASN 44 1HB ASN 44 7.398 0.579 7.119 350 2HB ASN 44 2HB ASN 44 6.552 -0.953 7.031 351 1HD2 ASN 44 1HD2 ASN 44 9.485 0.316 7.154 352 2HD2 ASN 44 2HD2 ASN 44 10.424 -0.808 6.229 353 H VAL 45 H VAL 45 6.314 2.838 4.845 354 HA VAL 45 HA VAL 45 8.819 2.785 3.385 355 HB VAL 45 HB VAL 45 6.189 3.674 2.192 356 1HG1 VAL 45 1HG1 VAL 45 7.795 5.375 1.650 357 2HG1 VAL 45 2HG1 VAL 45 9.026 4.158 1.233 358 3HG1 VAL 45 3HG1 VAL 45 7.581 4.349 0.211 359 1HG2 VAL 45 1HG2 VAL 45 6.713 2.067 0.423 360 2HG2 VAL 45 2HG2 VAL 45 8.232 1.635 1.246 361 3HG2 VAL 45 3HG2 VAL 45 6.668 1.263 2.011 362 H ARG 46 H ARG 46 9.513 5.126 2.884 363 HA ARG 46 HA ARG 46 8.920 6.623 5.259 364 1HB ARG 46 1HB ARG 46 10.878 7.336 3.023 365 2HB ARG 46 2HB ARG 46 10.875 7.970 4.657 366 1HG ARG 46 1HG ARG 46 10.968 5.052 4.725 367 2HG ARG 46 2HG ARG 46 12.250 5.666 3.700 368 1HD ARG 46 1HD ARG 46 11.792 6.997 6.377 369 2HD ARG 46 2HD ARG 46 12.591 5.438 6.347 370 HE ARG 46 HE ARG 46 13.656 7.978 5.297 371 1HH1 ARG 46 1HH1 ARG 46 13.996 4.452 5.357 372 2HH1 ARG 46 2HH1 ARG 46 15.657 4.479 4.866 373 1HH2 ARG 46 1HH2 ARG 46 16.725 6.585 4.455 374 H GLY 47 H GLY 47 7.827 8.621 5.293 375 1HA GLY 47 1HA GLY 47 7.136 10.625 4.235 376 2HA GLY 47 2HA GLY 47 7.078 9.792 2.694 377 HA PRO 48 HA PRO 48 2.937 9.697 4.790 378 1HB PRO 48 1HB PRO 48 1.650 11.772 3.561 379 2HB PRO 48 2HB PRO 48 2.384 11.904 5.146 380 1HG PRO 48 1HG PRO 48 3.354 12.958 2.560 381 2HG PRO 48 2HG PRO 48 3.825 13.426 4.182 382 1HD PRO 48 1HD PRO 48 5.315 11.773 2.372 383 2HD PRO 48 2HD PRO 48 5.730 12.146 4.033 384 H VAL 49 H VAL 49 0.624 10.134 3.308 385 HA VAL 49 HA VAL 49 0.944 9.187 0.683 386 HB VAL 49 HB VAL 49 1.631 7.164 2.003 387 1HG1 VAL 49 1HG1 VAL 49 -0.462 5.851 2.864 388 2HG1 VAL 49 2HG1 VAL 49 0.303 7.075 3.906 389 3HG1 VAL 49 3HG1 VAL 49 -1.187 7.470 3.015 390 1HG2 VAL 49 1HG2 VAL 49 0.378 7.319 -0.348 391 2HG2 VAL 49 2HG2 VAL 49 0.778 5.759 0.411 392 3HG2 VAL 49 3HG2 VAL 49 -0.870 6.418 0.547 393 H ARG 50 H ARG 50 -1.343 8.402 -0.153 394 HA ARG 50 HA ARG 50 -3.444 9.537 1.446 395 1HB ARG 50 1HB ARG 50 -3.067 10.452 -1.444 396 2HB ARG 50 2HB ARG 50 -4.230 11.066 -0.285 397 1HG ARG 50 1HG ARG 50 -2.480 12.078 1.068 398 2HG ARG 50 2HG ARG 50 -1.220 11.255 0.170 399 1HD ARG 50 1HD ARG 50 -2.100 12.513 -1.926 400 2HD ARG 50 2HD ARG 50 -3.038 13.494 -0.818 401 HE ARG 50 HE ARG 50 -0.556 13.681 0.300 402 1HH1 ARG 50 1HH1 ARG 50 -1.625 14.059 -3.057 403 2HH1 ARG 50 2HH1 ARG 50 -0.368 15.180 -3.461 404 1HH2 ARG 50 1HH2 ARG 50 1.224 15.813 -1.786 405 H VAL 51 H VAL 51 -5.315 8.306 1.212 406 HA VAL 51 HA VAL 51 -5.376 5.898 0.044 407 HB VAL 51 HB VAL 51 -7.650 7.873 0.320 408 1HG1 VAL 51 1HG1 VAL 51 -7.953 5.752 -1.179 409 2HG1 VAL 51 2HG1 VAL 51 -7.988 4.883 0.374 410 3HG1 VAL 51 3HG1 VAL 51 -9.187 6.155 0.039 411 1HG2 VAL 51 1HG2 VAL 51 -7.294 7.636 2.513 412 2HG2 VAL 51 2HG2 VAL 51 -7.786 5.935 2.339 413 3HG2 VAL 51 3HG2 VAL 51 -6.064 6.378 2.243 414 H GLY 52 H GLY 52 -5.206 5.101 -1.984 415 1HA GLY 52 1HA GLY 52 -6.291 5.227 -4.208 416 2HA GLY 52 2HA GLY 52 -5.883 6.931 -4.210 417 H ASP 53 H ASP 53 -3.250 6.505 -2.815 418 HA ASP 53 HA ASP 53 -1.588 6.518 -4.878 419 1HB ASP 53 1HB ASP 53 -1.302 6.512 -2.155 420 2HB ASP 53 2HB ASP 53 -0.611 4.944 -2.521 421 HD2 ASP 53 HD2 ASP 53 -0.104 8.329 -2.879 422 H ILE 54 H ILE 54 -0.165 4.889 -5.923 423 HA ILE 54 HA ILE 54 -0.967 2.113 -5.485 424 HB ILE 54 HB ILE 54 -1.070 3.639 -8.072 425 1HG1 ILE 54 1HG1 ILE 54 -3.050 1.649 -6.956 426 2HG1 ILE 54 2HG1 ILE 54 -3.077 3.339 -6.490 427 1HG2 ILE 54 1HG2 ILE 54 -1.564 1.068 -8.826 428 2HG2 ILE 54 2HG2 ILE 54 -0.014 1.914 -9.043 429 3HG2 ILE 54 3HG2 ILE 54 -0.253 0.840 -7.644 430 1HD1 ILE 54 1HD1 ILE 54 -2.866 3.526 -9.251 431 2HD1 ILE 54 2HD1 ILE 54 -3.879 2.077 -9.044 432 3HD1 ILE 54 3HD1 ILE 54 -4.388 3.627 -8.334 433 H LEU 55 H LEU 55 0.714 0.628 -5.690 434 HA LEU 55 HA LEU 55 3.189 1.453 -6.879 435 1HB LEU 55 1HB LEU 55 2.764 1.612 -3.975 436 2HB LEU 55 2HB LEU 55 4.175 0.685 -4.446 437 HG LEU 55 HG LEU 55 3.901 3.279 -5.831 438 1HD1 LEU 55 1HD1 LEU 55 3.355 4.466 -4.015 439 2HD1 LEU 55 2HD1 LEU 55 3.711 3.120 -2.905 440 3HD1 LEU 55 3HD1 LEU 55 5.030 4.161 -3.494 441 1HD2 LEU 55 1HD2 LEU 55 6.070 2.937 -6.141 442 2HD2 LEU 55 2HD2 LEU 55 6.358 2.870 -4.386 443 3HD2 LEU 55 3HD2 LEU 55 5.913 1.391 -5.272 444 H ILE 56 H ILE 56 4.370 -0.323 -7.570 445 HA ILE 56 HA ILE 56 3.005 -2.855 -7.244 446 HB ILE 56 HB ILE 56 5.484 -2.481 -8.867 447 1HG1 ILE 56 1HG1 ILE 56 2.802 -1.232 -9.432 448 2HG1 ILE 56 2HG1 ILE 56 4.398 -0.518 -9.546 449 1HG2 ILE 56 1HG2 ILE 56 2.972 -3.927 -9.663 450 2HG2 ILE 56 2HG2 ILE 56 4.657 -4.216 -10.159 451 3HG2 ILE 56 3HG2 ILE 56 4.122 -4.664 -8.522 452 1HD1 ILE 56 1HD1 ILE 56 3.878 -0.930 -11.803 453 2HD1 ILE 56 2HD1 ILE 56 4.832 -2.371 -11.376 454 3HD1 ILE 56 3HD1 ILE 56 3.056 -2.465 -11.434 455 H LEU 57 H LEU 57 3.985 -4.764 -6.405 456 HA LEU 57 HA LEU 57 6.292 -4.171 -4.686 457 1HB LEU 57 1HB LEU 57 3.912 -5.974 -4.279 458 2HB LEU 57 2HB LEU 57 5.375 -6.112 -3.324 459 HG LEU 57 HG LEU 57 3.915 -4.839 -2.012 460 1HD1 LEU 57 1HD1 LEU 57 5.159 -2.980 -1.543 461 2HD1 LEU 57 2HD1 LEU 57 6.305 -3.860 -2.583 462 3HD1 LEU 57 3HD1 LEU 57 5.340 -2.524 -3.254 463 1HD2 LEU 57 1HD2 LEU 57 2.555 -3.007 -2.749 464 2HD2 LEU 57 2HD2 LEU 57 3.313 -3.022 -4.359 465 3HD2 LEU 57 3HD2 LEU 57 2.286 -4.382 -3.847 466 H ARG 58 H ARG 58 7.861 -4.671 -6.291 467 HA ARG 58 HA ARG 58 7.700 -7.010 -7.790 468 1HB ARG 58 1HB ARG 58 10.135 -6.540 -8.282 469 2HB ARG 58 2HB ARG 58 9.103 -5.144 -8.522 470 1HG ARG 58 1HG ARG 58 10.405 -3.979 -7.080 471 2HG ARG 58 2HG ARG 58 9.868 -5.034 -5.787 472 1HD ARG 58 1HD ARG 58 12.092 -5.575 -5.616 473 2HD ARG 58 2HD ARG 58 11.755 -6.650 -6.959 474 HE ARG 58 HE ARG 58 13.026 -5.263 -8.344 475 1HH1 ARG 58 1HH1 ARG 58 12.077 -3.415 -5.474 476 2HH1 ARG 58 2HH1 ARG 58 13.033 -2.034 -5.894 477 1HH2 ARG 58 1HH2 ARG 58 14.326 -2.071 -7.912 478 H GLU 59 H GLU 59 8.656 -6.320 -4.494 479 HA GLU 59 HA GLU 59 9.254 -9.102 -4.135 480 1HB GLU 59 1HB GLU 59 11.444 -7.738 -4.664 481 2HB GLU 59 2HB GLU 59 11.266 -7.122 -3.034 482 1HG GLU 59 1HG GLU 59 11.874 -9.113 -2.075 483 2HG GLU 59 2HG GLU 59 10.925 -10.060 -3.203 484 HE2 GLU 59 HE2 GLU 59 12.079 -10.550 -5.298 485 H THR 60 H THR 60 9.125 -5.789 -2.677 486 HA THR 60 HA THR 60 7.935 -5.052 -0.927 487 HB THR 60 HB THR 60 6.512 -7.312 -1.663 488 HG1 THR 60 HG1 THR 60 5.098 -6.387 0.148 489 1HG2 THR 60 1HG2 THR 60 6.161 -8.736 0.175 490 2HG2 THR 60 2HG2 THR 60 7.906 -8.432 0.346 491 3HG2 THR 60 3HG2 THR 60 6.743 -7.528 1.345 492 H GLU 61 H GLU 61 10.518 -7.159 -0.955 493 HA GLU 61 HA GLU 61 12.005 -7.805 0.506 494 1HB GLU 61 1HB GLU 61 11.266 -5.112 1.727 495 2HB GLU 61 2HB GLU 61 12.674 -6.036 2.214 496 1HG GLU 61 1HG GLU 61 13.424 -6.034 -0.227 497 2HG GLU 61 2HG GLU 61 12.096 -4.946 -0.579 498 HE2 GLU 61 HE2 GLU 61 15.278 -3.741 -0.223 499 H ARG 62 H ARG 62 12.457 -7.735 3.214 500 HA ARG 62 HA ARG 62 9.989 -8.381 4.523 501 1HB ARG 62 1HB ARG 62 10.809 -10.527 3.410 502 2HB ARG 62 2HB ARG 62 12.258 -10.429 4.390 503 1HG ARG 62 1HG ARG 62 10.430 -10.190 6.376 504 2HG ARG 62 2HG ARG 62 9.437 -11.061 5.224 505 1HD ARG 62 1HD ARG 62 12.215 -12.122 5.623 506 2HD ARG 62 2HD ARG 62 11.125 -12.297 6.984 507 HE ARG 62 HE ARG 62 9.564 -13.184 4.912 508 1HH1 ARG 62 1HH1 ARG 62 12.873 -13.995 5.888 509 2HH1 ARG 62 2HH1 ARG 62 12.793 -15.609 5.264 510 1HH2 ARG 62 1HH2 ARG 62 10.777 -16.363 4.210 511 H GLU 63 H GLU 63 13.604 -8.781 4.814 512 HA GLU 63 HA GLU 63 15.033 -8.107 6.303 513 1HB GLU 63 1HB GLU 63 13.035 -5.988 6.315 514 2HB GLU 63 2HB GLU 63 13.727 -6.161 7.916 515 1HG GLU 63 1HG GLU 63 15.750 -5.332 7.258 516 2HG GLU 63 2HG GLU 63 15.784 -6.322 5.812 517 HE2 GLU 63 HE2 GLU 63 15.360 -3.422 4.045 518 H ALA 64 H ALA 64 14.791 -10.272 7.268 519 HA ALA 64 HA ALA 64 13.188 -10.301 9.716 520 1HB ALA 64 1HB ALA 64 14.628 -12.673 8.523 521 2HB ALA 64 2HB ALA 64 13.137 -12.630 9.494 522 3HB ALA 64 3HB ALA 64 13.110 -12.089 7.799 523 H ARG 65 H ARG 65 15.108 -8.605 10.245 524 HA ARG 65 HA ARG 65 17.628 -9.510 10.703 525 1HB ARG 65 1HB ARG 65 15.938 -7.438 12.175 526 2HB ARG 65 2HB ARG 65 17.631 -7.684 12.556 527 1HG ARG 65 1HG ARG 65 17.992 -7.402 9.945 528 2HG ARG 65 2HG ARG 65 16.404 -6.661 9.978 529 1HD ARG 65 1HD ARG 65 17.595 -4.745 10.434 530 2HD ARG 65 2HD ARG 65 17.546 -5.340 12.081 531 HE ARG 65 HE ARG 65 19.841 -5.776 11.964 532 1HH1 ARG 65 1HH1 ARG 65 18.583 -5.447 8.668 533 2HH1 ARG 65 2HH1 ARG 65 20.150 -5.511 7.931 534 1HH2 ARG 65 1HH2 ARG 65 22.090 -5.755 9.317 535 H GLU 66 H GLU 66 14.928 -9.223 13.142 536 HA GLU 66 HA GLU 66 14.491 -10.299 14.975 537 1HB GLU 66 1HB GLU 66 14.705 -12.279 13.280 538 2HB GLU 66 2HB GLU 66 16.216 -12.635 14.092 539 1HG GLU 66 1HG GLU 66 14.918 -13.860 15.522 540 2HG GLU 66 2HG GLU 66 14.553 -12.315 16.263 541 HE2 GLU 66 HE2 GLU 66 12.827 -14.926 15.069 542 H ILE 67 H ILE 67 16.070 -8.485 15.751 543 HA ILE 67 HA ILE 67 18.662 -8.798 16.369 544 HB ILE 67 HB ILE 67 17.345 -6.791 16.766 545 1HG1 ILE 67 1HG1 ILE 67 18.272 -6.499 19.284 546 2HG1 ILE 67 2HG1 ILE 67 19.162 -7.937 18.825 547 1HG2 ILE 67 1HG2 ILE 67 16.329 -7.923 19.357 548 2HG2 ILE 67 2HG2 ILE 67 15.752 -6.523 18.423 549 3HG2 ILE 67 3HG2 ILE 67 15.425 -8.174 17.845 550 1HD1 ILE 67 1HD1 ILE 67 19.138 -5.909 16.681 551 2HD1 ILE 67 2HD1 ILE 67 19.873 -5.316 18.190 552 3HD1 ILE 67 3HD1 ILE 67 20.512 -6.780 17.404 553 H LYS 68 H LYS 68 19.780 -10.449 17.247 554 HA LYS 68 HA LYS 68 18.552 -12.497 18.693 555 1HB LYS 68 1HB LYS 68 21.347 -11.700 18.009 556 2HB LYS 68 2HB LYS 68 21.133 -12.849 19.314 557 1HG LYS 68 1HG LYS 68 20.684 -14.514 17.843 558 2HG LYS 68 2HG LYS 68 19.362 -13.597 17.148 559 1HD LYS 68 1HD LYS 68 21.489 -12.262 16.043 560 2HD LYS 68 2HD LYS 68 22.193 -13.858 16.212 561 1HE LYS 68 1HE LYS 68 19.415 -13.681 15.054 562 2HE LYS 68 2HE LYS 68 20.748 -13.159 14.043 563 1HZ LYS 68 1HZ LYS 68 20.098 -15.638 14.016 564 2HZ LYS 68 2HZ LYS 68 21.687 -15.290 14.087 565 H SER 69 H SER 69 20.093 -9.425 19.658 566 HA SER 69 HA SER 69 20.694 -9.762 22.198 567 1HB SER 69 1HB SER 69 20.579 -7.594 20.804 568 2HB SER 69 2HB SER 69 18.913 -7.452 21.329 569 HG SER 69 HG SER 69 20.938 -7.874 23.307 570 H ARG 70 H ARG 70 17.317 -8.915 21.110 571 HA ARG 70 HA ARG 70 15.415 -9.035 22.175 572 1HB ARG 70 1HB ARG 70 15.700 -11.356 21.282 573 2HB ARG 70 2HB ARG 70 16.459 -11.848 22.782 574 1HG ARG 70 1HG ARG 70 14.348 -12.454 23.417 575 2HG ARG 70 2HG ARG 70 14.125 -10.748 23.745 576 1HD ARG 70 1HD ARG 70 12.894 -10.379 21.780 577 2HD ARG 70 2HD ARG 70 13.664 -11.697 20.918 578 HE ARG 70 HE ARG 70 12.329 -13.079 22.840 579 1HH1 ARG 70 1HH1 ARG 70 11.239 -10.435 20.749 580 2HH1 ARG 70 2HH1 ARG 70 9.589 -10.959 20.737 581 1HH2 ARG 70 1HH2 ARG 70 8.972 -12.924 21.963 582 H ARG 71 H ARG 71 15.709 -7.522 23.924 583 HA ARG 71 HA ARG 71 16.276 -8.842 26.457 584 1HB ARG 71 1HB ARG 71 16.898 -5.960 25.635 585 2HB ARG 71 2HB ARG 71 17.125 -6.591 27.254 586 1HG ARG 71 1HG ARG 71 18.463 -8.485 25.721 587 2HG ARG 71 2HG ARG 71 18.766 -7.017 24.814 588 1HD ARG 71 1HD ARG 71 20.119 -6.127 26.449 589 2HD ARG 71 2HD ARG 71 19.086 -6.683 27.750 590 HE ARG 71 HE ARG 71 20.222 -9.021 26.732 591 1HH1 ARG 71 1HH1 ARG 71 21.495 -5.997 28.069 592 2HH1 ARG 71 2HH1 ARG 71 22.938 -6.732 28.684 593 1HH2 ARG 71 1HH2 ARG 71 23.287 -9.081 28.364 Start of MODEL 2 1 1H MET 1 1H MET 1 7.125 -10.110 -22.124 2 HA MET 1 HA MET 1 8.967 -10.398 -23.754 3 1HB MET 1 1HB MET 1 7.074 -8.475 -25.145 4 2HB MET 1 2HB MET 1 8.793 -8.285 -25.430 5 1HG MET 1 1HG MET 1 7.477 -11.012 -25.713 6 2HG MET 1 2HG MET 1 7.414 -9.855 -27.027 7 1HE MET 1 1HE MET 1 10.422 -12.839 -26.344 8 2HE MET 1 2HE MET 1 8.685 -12.688 -25.985 9 3HE MET 1 3HE MET 1 9.246 -12.706 -27.674 10 H ALA 2 H ALA 2 7.382 -7.153 -23.256 11 HA ALA 2 HA ALA 2 9.826 -6.035 -22.301 12 1HB ALA 2 1HB ALA 2 8.622 -4.014 -22.250 13 2HB ALA 2 2HB ALA 2 7.841 -4.922 -23.567 14 3HB ALA 2 3HB ALA 2 7.068 -4.836 -21.967 15 H GLU 3 H GLU 3 8.154 -4.469 -20.193 16 HA GLU 3 HA GLU 3 8.401 -6.538 -18.151 17 1HB GLU 3 1HB GLU 3 8.509 -4.034 -16.863 18 2HB GLU 3 2HB GLU 3 9.850 -5.126 -17.148 19 1HG GLU 3 1HG GLU 3 10.277 -4.060 -19.356 20 2HG GLU 3 2HG GLU 3 8.901 -2.999 -19.127 21 HE2 GLU 3 HE2 GLU 3 9.497 -1.150 -18.496 22 H ASP 4 H ASP 4 6.432 -7.222 -17.437 23 HA ASP 4 HA ASP 4 4.495 -5.195 -16.800 24 1HB ASP 4 1HB ASP 4 4.286 -6.938 -19.129 25 2HB ASP 4 2HB ASP 4 3.002 -7.320 -18.000 26 HD2 ASP 4 HD2 ASP 4 1.631 -4.873 -20.148 27 H GLU 5 H GLU 5 6.362 -7.379 -15.596 28 HA GLU 5 HA GLU 5 4.313 -9.055 -14.392 29 1HB GLU 5 1HB GLU 5 7.030 -9.784 -13.648 30 2HB GLU 5 2HB GLU 5 5.820 -10.739 -14.481 31 1HG GLU 5 1HG GLU 5 6.421 -9.391 -16.608 32 2HG GLU 5 2HG GLU 5 7.799 -8.778 -15.717 33 HE2 GLU 5 HE2 GLU 5 9.217 -11.172 -17.438 34 H GLY 6 H GLY 6 3.459 -7.899 -12.673 35 1HA GLY 6 1HA GLY 6 4.803 -7.705 -10.275 36 2HA GLY 6 2HA GLY 6 5.032 -6.154 -11.059 37 H TYR 7 H TYR 7 3.105 -7.724 -8.878 38 HA TYR 7 HA TYR 7 0.562 -6.685 -9.774 39 1HB TYR 7 1HB TYR 7 1.347 -7.788 -7.025 40 2HB TYR 7 2HB TYR 7 -0.206 -7.939 -7.823 41 HD1 TYR 7 HD1 TYR 7 -0.126 -9.287 -10.138 42 HD2 TYR 7 HD2 TYR 7 2.752 -9.638 -6.992 43 HE1 TYR 7 HE1 TYR 7 0.550 -11.580 -11.002 44 HE2 TYR 7 HE2 TYR 7 3.418 -11.930 -7.867 45 HH TYR 7 HH TYR 7 1.557 -13.641 -10.035 46 HA PRO 8 HA PRO 8 1.388 -2.918 -7.668 47 1HB PRO 8 1HB PRO 8 -0.708 -1.504 -8.707 48 2HB PRO 8 2HB PRO 8 0.849 -1.633 -9.501 49 1HG PRO 8 1HG PRO 8 -1.692 -2.984 -10.176 50 2HG PRO 8 2HG PRO 8 -0.268 -2.761 -11.174 51 1HD PRO 8 1HD PRO 8 -1.069 -5.170 -9.838 52 2HD PRO 8 2HD PRO 8 0.412 -4.913 -10.740 53 H ALA 9 H ALA 9 0.764 -1.910 -5.779 54 HA ALA 9 HA ALA 9 -1.731 -3.045 -4.711 55 1HB ALA 9 1HB ALA 9 0.486 -2.142 -2.906 56 2HB ALA 9 2HB ALA 9 -0.698 -3.453 -2.690 57 3HB ALA 9 3HB ALA 9 0.694 -3.681 -3.776 58 H GLU 10 H GLU 10 -3.286 -1.565 -4.264 59 HA GLU 10 HA GLU 10 -2.417 1.209 -4.230 60 1HB GLU 10 1HB GLU 10 -4.118 0.538 -5.934 61 2HB GLU 10 2HB GLU 10 -5.203 0.036 -4.653 62 1HG GLU 10 1HG GLU 10 -4.299 2.719 -4.062 63 2HG GLU 10 2HG GLU 10 -4.828 2.680 -5.732 64 HE2 GLU 10 HE2 GLU 10 -7.007 2.472 -6.063 65 H VAL 11 H VAL 11 -2.498 2.383 -2.351 66 HA VAL 11 HA VAL 11 -2.993 1.165 0.079 67 HB VAL 11 HB VAL 11 -2.966 4.071 -0.747 68 1HG1 VAL 11 1HG1 VAL 11 -3.378 4.730 1.353 69 2HG1 VAL 11 2HG1 VAL 11 -3.951 3.072 1.657 70 3HG1 VAL 11 3HG1 VAL 11 -2.270 3.515 2.035 71 1HG2 VAL 11 1HG2 VAL 11 -0.675 4.061 0.068 72 2HG2 VAL 11 2HG2 VAL 11 -0.826 2.358 0.561 73 3HG2 VAL 11 3HG2 VAL 11 -0.882 2.794 -1.164 74 H ILE 12 H ILE 12 -4.841 0.508 1.040 75 HA ILE 12 HA ILE 12 -7.342 1.517 -0.041 76 HB ILE 12 HB ILE 12 -8.328 -0.321 1.294 77 1HG1 ILE 12 1HG1 ILE 12 -5.588 -1.446 1.756 78 2HG1 ILE 12 2HG1 ILE 12 -6.214 -0.263 2.888 79 1HG2 ILE 12 1HG2 ILE 12 -7.385 -0.441 -1.137 80 2HG2 ILE 12 2HG2 ILE 12 -6.154 -1.499 -0.407 81 3HG2 ILE 12 3HG2 ILE 12 -7.877 -1.930 -0.297 82 1HD1 ILE 12 1HD1 ILE 12 -6.767 -2.593 3.581 83 2HD1 ILE 12 2HD1 ILE 12 -8.236 -1.639 3.264 84 3HD1 ILE 12 3HD1 ILE 12 -7.666 -2.820 2.061 85 H GLU 13 H GLU 13 -5.336 1.531 2.916 86 HA GLU 13 HA GLU 13 -6.731 3.816 3.813 87 1HB GLU 13 1HB GLU 13 -8.338 2.154 4.620 88 2HB GLU 13 2HB GLU 13 -7.061 1.215 5.368 89 1HG GLU 13 1HG GLU 13 -6.588 2.993 6.974 90 2HG GLU 13 2HG GLU 13 -7.648 4.109 6.136 91 HE2 GLU 13 HE2 GLU 13 -7.663 2.493 8.816 92 H ILE 14 H ILE 14 -5.497 4.981 5.375 93 HA ILE 14 HA ILE 14 -2.790 3.977 5.639 94 HB ILE 14 HB ILE 14 -4.007 6.657 6.321 95 1HG1 ILE 14 1HG1 ILE 14 -2.200 6.122 3.977 96 2HG1 ILE 14 2HG1 ILE 14 -3.917 5.791 3.848 97 1HG2 ILE 14 1HG2 ILE 14 -1.929 7.449 6.872 98 2HG2 ILE 14 2HG2 ILE 14 -1.808 5.780 7.477 99 3HG2 ILE 14 3HG2 ILE 14 -1.076 6.216 5.914 100 1HD1 ILE 14 1HD1 ILE 14 -3.967 8.006 3.206 101 2HD1 ILE 14 2HD1 ILE 14 -4.062 8.262 4.965 102 3HD1 ILE 14 3HD1 ILE 14 -2.499 8.414 4.126 103 H ILE 15 H ILE 15 -1.941 3.125 7.477 104 HA ILE 15 HA ILE 15 -3.737 2.757 9.690 105 HB ILE 15 HB ILE 15 -0.949 1.814 9.053 106 1HG1 ILE 15 1HG1 ILE 15 -3.272 0.002 9.527 107 2HG1 ILE 15 2HG1 ILE 15 -3.261 0.922 8.036 108 1HG2 ILE 15 1HG2 ILE 15 -1.248 0.336 11.091 109 2HG2 ILE 15 2HG2 ILE 15 -0.897 2.053 11.403 110 3HG2 ILE 15 3HG2 ILE 15 -2.557 1.438 11.583 111 1HD1 ILE 15 1HD1 ILE 15 -0.909 -0.767 9.000 112 2HD1 ILE 15 2HD1 ILE 15 -2.138 -1.329 7.842 113 3HD1 ILE 15 3HD1 ILE 15 -1.070 0.031 7.417 114 H GLY 16 H GLY 16 -0.249 3.727 9.737 115 1HA GLY 16 1HA GLY 16 -0.782 6.256 10.954 116 2HA GLY 16 2HA GLY 16 -0.316 5.056 12.141 117 H ARG 17 H ARG 17 1.110 7.522 11.040 118 HA ARG 17 HA ARG 17 3.331 6.304 9.685 119 1HB ARG 17 1HB ARG 17 4.185 8.680 9.561 120 2HB ARG 17 2HB ARG 17 2.593 8.485 8.855 121 1HG ARG 17 1HG ARG 17 1.549 9.725 10.503 122 2HG ARG 17 2HG ARG 17 2.612 9.144 11.770 123 1HD ARG 17 1HD ARG 17 4.454 10.607 10.878 124 2HD ARG 17 2HD ARG 17 3.365 11.210 9.644 125 HE ARG 17 HE ARG 17 2.258 12.514 11.263 126 1HH1 ARG 17 1HH1 ARG 17 4.403 10.201 12.875 127 2HH1 ARG 17 2HH1 ARG 17 4.223 10.931 14.436 128 1HH2 ARG 17 1HH2 ARG 17 2.816 12.857 14.674 129 H THR 18 H THR 18 5.539 6.378 10.531 130 HA THR 18 HA THR 18 5.791 7.132 13.345 131 HB THR 18 HB THR 18 5.165 4.635 13.056 132 HG1 THR 18 HG1 THR 18 6.665 4.272 14.755 133 1HG2 THR 18 1HG2 THR 18 8.097 4.393 12.260 134 2HG2 THR 18 2HG2 THR 18 6.851 3.121 12.282 135 3HG2 THR 18 3HG2 THR 18 6.812 4.383 11.028 136 H GLY 19 H GLY 19 8.428 6.068 13.647 137 1HA GLY 19 1HA GLY 19 9.959 7.339 11.495 138 2HA GLY 19 2HA GLY 19 10.095 8.006 13.109 139 H THR 20 H THR 20 11.807 7.257 14.271 140 HA THR 20 HA THR 20 13.404 5.916 15.042 141 HB THR 20 HB THR 20 11.163 4.003 14.363 142 HG1 THR 20 HG1 THR 20 10.977 4.610 16.482 143 1HG2 THR 20 1HG2 THR 20 12.850 2.400 13.972 144 2HG2 THR 20 2HG2 THR 20 14.042 3.272 14.965 145 3HG2 THR 20 3HG2 THR 20 12.741 2.341 15.746 146 H THR 21 H THR 21 12.330 3.837 12.284 147 HA THR 21 HA THR 21 14.964 3.388 11.436 148 HB THR 21 HB THR 21 12.163 2.853 10.515 149 HG1 THR 21 HG1 THR 21 13.244 0.746 10.444 150 1HG2 THR 21 1HG2 THR 21 13.293 3.712 8.407 151 2HG2 THR 21 2HG2 THR 21 14.583 2.514 8.668 152 3HG2 THR 21 3HG2 THR 21 12.919 1.973 8.342 153 H GLY 22 H GLY 22 12.540 5.869 10.543 154 1HA GLY 22 1HA GLY 22 14.118 7.903 9.916 155 2HA GLY 22 2HA GLY 22 14.310 6.921 8.479 156 H ASP 23 H ASP 23 11.719 8.246 10.652 157 HA ASP 23 HA ASP 23 9.691 8.915 10.251 158 1HB ASP 23 1HB ASP 23 10.908 9.815 7.597 159 2HB ASP 23 2HB ASP 23 9.368 10.376 8.215 160 HD2 ASP 23 HD2 ASP 23 10.922 12.232 10.800 161 H VAL 24 H VAL 24 9.575 6.288 9.899 162 HA VAL 24 HA VAL 24 8.954 5.486 7.229 163 HB VAL 24 HB VAL 24 8.560 4.109 9.895 164 1HG1 VAL 24 1HG1 VAL 24 8.233 3.205 7.045 165 2HG1 VAL 24 2HG1 VAL 24 8.763 2.048 8.289 166 3HG1 VAL 24 3HG1 VAL 24 7.204 2.890 8.463 167 1HG2 VAL 24 1HG2 VAL 24 10.653 2.846 9.097 168 2HG2 VAL 24 2HG2 VAL 24 10.878 4.192 7.956 169 3HG2 VAL 24 3HG2 VAL 24 10.875 4.503 9.708 170 H THR 25 H THR 25 6.812 4.519 6.627 171 HA THR 25 HA THR 25 4.561 5.575 8.144 172 HB THR 25 HB THR 25 5.443 6.459 5.377 173 HG1 THR 25 HG1 THR 25 5.686 8.089 6.883 174 1HG2 THR 25 1HG2 THR 25 2.971 7.531 5.509 175 2HG2 THR 25 2HG2 THR 25 3.249 5.967 4.706 176 3HG2 THR 25 3HG2 THR 25 2.625 6.013 6.373 177 H GLN 26 H GLN 26 3.550 3.714 8.624 178 HA GLN 26 HA GLN 26 3.528 1.646 6.628 179 1HB GLN 26 1HB GLN 26 3.033 1.841 9.552 180 2HB GLN 26 2HB GLN 26 1.992 0.701 8.721 181 1HG GLN 26 1HG GLN 26 4.088 -0.293 7.641 182 2HG GLN 26 2HG GLN 26 5.044 0.741 8.683 183 1HE2 GLN 26 1HE2 GLN 26 5.899 -1.324 9.407 184 2HE2 GLN 26 2HE2 GLN 26 5.102 -2.193 10.677 185 H VAL 27 H VAL 27 1.641 0.822 5.599 186 HA VAL 27 HA VAL 27 -0.916 1.949 6.237 187 HB VAL 27 HB VAL 27 -1.274 2.901 3.989 188 1HG1 VAL 27 1HG1 VAL 27 1.074 4.257 5.341 189 2HG1 VAL 27 2HG1 VAL 27 -0.259 5.008 4.432 190 3HG1 VAL 27 3HG1 VAL 27 -0.573 4.260 6.016 191 1HG2 VAL 27 1HG2 VAL 27 0.717 1.546 3.013 192 2HG2 VAL 27 2HG2 VAL 27 0.407 3.186 2.395 193 3HG2 VAL 27 3HG2 VAL 27 1.712 2.911 3.573 194 H LYS 28 H LYS 28 -2.657 0.862 5.010 195 HA LYS 28 HA LYS 28 -1.768 -1.809 4.251 196 1HB LYS 28 1HB LYS 28 -4.069 -0.691 5.630 197 2HB LYS 28 2HB LYS 28 -4.574 -1.709 4.297 198 1HG LYS 28 1HG LYS 28 -3.276 -3.593 5.131 199 2HG LYS 28 2HG LYS 28 -2.468 -2.590 6.320 200 1HD LYS 28 1HD LYS 28 -5.062 -2.123 7.039 201 2HD LYS 28 2HD LYS 28 -5.241 -3.730 6.362 202 1HE LYS 28 1HE LYS 28 -3.154 -3.004 8.473 203 2HE LYS 28 2HE LYS 28 -4.722 -3.688 8.852 204 1HZ LYS 28 1HZ LYS 28 -3.285 -5.175 6.839 205 2HZ LYS 28 2HZ LYS 28 -2.520 -5.149 8.275 206 H VAL 29 H VAL 29 -1.781 -2.524 2.175 207 HA VAL 29 HA VAL 29 -3.178 -0.819 0.229 208 HB VAL 29 HB VAL 29 -1.403 -1.171 -1.320 209 1HG1 VAL 29 1HG1 VAL 29 -1.156 0.348 0.961 210 2HG1 VAL 29 2HG1 VAL 29 0.363 -0.582 0.959 211 3HG1 VAL 29 3HG1 VAL 29 -0.070 0.418 -0.448 212 1HG2 VAL 29 1HG2 VAL 29 0.573 -2.499 -0.872 213 2HG2 VAL 29 2HG2 VAL 29 -0.008 -2.880 0.766 214 3HG2 VAL 29 3HG2 VAL 29 -0.875 -3.512 -0.656 215 H ARG 30 H ARG 30 -4.094 -1.936 -1.618 216 HA ARG 30 HA ARG 30 -4.508 -4.753 -1.008 217 1HB ARG 30 1HB ARG 30 -6.597 -3.492 -0.789 218 2HB ARG 30 2HB ARG 30 -6.352 -2.710 -2.337 219 1HG ARG 30 1HG ARG 30 -6.448 -5.009 -3.435 220 2HG ARG 30 2HG ARG 30 -6.870 -5.684 -1.874 221 1HD ARG 30 1HD ARG 30 -8.602 -3.421 -2.341 222 2HD ARG 30 2HD ARG 30 -8.605 -4.399 -3.795 223 HE ARG 30 HE ARG 30 -8.887 -5.966 -1.329 224 1HH1 ARG 30 1HH1 ARG 30 -10.625 -4.184 -3.851 225 2HH1 ARG 30 2HH1 ARG 30 -12.119 -5.019 -3.585 226 1HH2 ARG 30 1HH2 ARG 30 -12.233 -6.710 -1.890 227 H ILE 31 H ILE 31 -4.574 -6.254 -2.840 228 HA ILE 31 HA ILE 31 -2.788 -5.491 -4.922 229 HB ILE 31 HB ILE 31 -4.368 -7.996 -4.353 230 1HG1 ILE 31 1HG1 ILE 31 -1.511 -7.146 -3.868 231 2HG1 ILE 31 2HG1 ILE 31 -2.698 -7.692 -2.701 232 1HG2 ILE 31 1HG2 ILE 31 -2.173 -8.442 -6.141 233 2HG2 ILE 31 2HG2 ILE 31 -3.903 -8.792 -6.367 234 3HG2 ILE 31 3HG2 ILE 31 -3.249 -7.202 -6.829 235 1HD1 ILE 31 1HD1 ILE 31 -1.485 -9.655 -2.965 236 2HD1 ILE 31 2HD1 ILE 31 -2.703 -9.891 -4.242 237 3HD1 ILE 31 3HD1 ILE 31 -1.078 -9.298 -4.661 238 H LEU 32 H LEU 32 -3.251 -4.598 -6.863 239 HA LEU 32 HA LEU 32 -5.964 -3.977 -7.462 240 1HB LEU 32 1HB LEU 32 -3.288 -3.437 -8.676 241 2HB LEU 32 2HB LEU 32 -4.721 -3.205 -9.658 242 HG LEU 32 HG LEU 32 -4.057 -1.107 -8.677 243 1HD1 LEU 32 1HD1 LEU 32 -6.168 -0.460 -8.381 244 2HD1 LEU 32 2HD1 LEU 32 -6.608 -2.178 -8.542 245 3HD1 LEU 32 3HD1 LEU 32 -6.363 -1.469 -6.927 246 1HD2 LEU 32 1HD2 LEU 32 -3.075 -0.993 -6.694 247 2HD2 LEU 32 2HD2 LEU 32 -4.610 -1.436 -5.909 248 3HD2 LEU 32 3HD2 LEU 32 -3.455 -2.704 -6.385 249 H GLU 33 H GLU 33 -3.531 -6.365 -8.576 250 HA GLU 33 HA GLU 33 -5.596 -8.032 -9.500 251 1HB GLU 33 1HB GLU 33 -4.320 -6.223 -11.444 252 2HB GLU 33 2HB GLU 33 -4.157 -7.907 -11.903 253 1HG GLU 33 1HG GLU 33 -6.747 -8.019 -11.257 254 2HG GLU 33 2HG GLU 33 -6.680 -6.285 -11.507 255 HE2 GLU 33 HE2 GLU 33 -7.919 -7.303 -14.208 256 H GLY 34 H GLY 34 -4.576 -10.079 -10.602 257 1HA GLY 34 1HA GLY 34 -2.426 -11.206 -10.958 258 2HA GLY 34 2HA GLY 34 -1.888 -10.515 -9.440 259 H ARG 35 H ARG 35 -4.701 -12.431 -10.733 260 HA ARG 35 HA ARG 35 -5.635 -14.255 -10.032 261 1HB ARG 35 1HB ARG 35 -2.974 -14.588 -9.103 262 2HB ARG 35 2HB ARG 35 -3.973 -14.988 -7.720 263 1HG ARG 35 1HG ARG 35 -5.180 -16.194 -10.047 264 2HG ARG 35 2HG ARG 35 -3.469 -16.570 -10.081 265 1HD ARG 35 1HD ARG 35 -3.556 -17.834 -8.130 266 2HD ARG 35 2HD ARG 35 -4.823 -16.854 -7.418 267 HE ARG 35 HE ARG 35 -5.940 -18.171 -9.681 268 1HH1 ARG 35 1HH1 ARG 35 -4.649 -19.007 -6.489 269 2HH1 ARG 35 2HH1 ARG 35 -5.626 -20.428 -6.328 270 1HH2 ARG 35 1HH2 ARG 35 -7.136 -21.020 -8.093 271 H ASP 36 H ASP 36 -4.128 -13.227 -6.884 272 HA ASP 36 HA ASP 36 -6.336 -13.615 -5.371 273 1HB ASP 36 1HB ASP 36 -4.020 -11.661 -5.137 274 2HB ASP 36 2HB ASP 36 -5.264 -11.710 -3.904 275 HD2 ASP 36 HD2 ASP 36 -5.644 -14.101 -3.263 276 H LYS 37 H LYS 37 -5.114 -10.487 -6.802 277 HA LYS 37 HA LYS 37 -6.107 -8.495 -6.996 278 1HB LYS 37 1HB LYS 37 -6.749 -9.605 -9.045 279 2HB LYS 37 2HB LYS 37 -8.136 -10.348 -8.274 280 1HG LYS 37 1HG LYS 37 -8.739 -7.790 -7.686 281 2HG LYS 37 2HG LYS 37 -7.724 -7.470 -9.079 282 1HD LYS 37 1HD LYS 37 -9.575 -7.864 -10.343 283 2HD LYS 37 2HD LYS 37 -9.321 -9.562 -9.993 284 1HE LYS 37 1HE LYS 37 -10.639 -8.660 -7.697 285 2HE LYS 37 2HE LYS 37 -11.402 -7.723 -8.966 286 1HZ LYS 37 1HZ LYS 37 -11.447 -10.613 -8.565 287 2HZ LYS 37 2HZ LYS 37 -12.624 -9.637 -9.124 288 H GLY 38 H GLY 38 -6.376 -7.826 -4.833 289 1HA GLY 38 1HA GLY 38 -8.350 -6.731 -3.757 290 2HA GLY 38 2HA GLY 38 -9.065 -8.330 -3.708 291 H ARG 39 H ARG 39 -5.996 -9.243 -3.343 292 HA ARG 39 HA ARG 39 -6.223 -9.753 -0.665 293 1HB ARG 39 1HB ARG 39 -4.721 -11.048 -2.099 294 2HB ARG 39 2HB ARG 39 -3.771 -9.626 -2.485 295 1HG ARG 39 1HG ARG 39 -2.438 -10.043 -0.702 296 2HG ARG 39 2HG ARG 39 -3.805 -9.797 0.367 297 1HD ARG 39 1HD ARG 39 -4.404 -12.313 -0.395 298 2HD ARG 39 2HD ARG 39 -2.681 -12.380 -0.715 299 HE ARG 39 HE ARG 39 -2.995 -11.221 1.857 300 1HH1 ARG 39 1HH1 ARG 39 -3.620 -14.330 0.276 301 2HH1 ARG 39 2HH1 ARG 39 -3.432 -15.249 1.731 302 1HH2 ARG 39 1HH2 ARG 39 -2.919 -14.113 3.779 303 H VAL 40 H VAL 40 -5.990 -8.437 1.117 304 HA VAL 40 HA VAL 40 -4.721 -5.846 0.707 305 HB VAL 40 HB VAL 40 -7.014 -6.057 1.652 306 1HG1 VAL 40 1HG1 VAL 40 -6.626 -8.135 2.952 307 2HG1 VAL 40 2HG1 VAL 40 -5.602 -7.214 4.081 308 3HG1 VAL 40 3HG1 VAL 40 -7.334 -6.831 3.935 309 1HG2 VAL 40 1HG2 VAL 40 -4.774 -4.718 3.153 310 2HG2 VAL 40 2HG2 VAL 40 -6.035 -4.002 2.119 311 3HG2 VAL 40 3HG2 VAL 40 -6.449 -4.597 3.745 312 H ILE 41 H ILE 41 -2.953 -5.115 1.955 313 HA ILE 41 HA ILE 41 -1.814 -6.958 3.872 314 HB ILE 41 HB ILE 41 0.385 -6.941 2.761 315 1HG1 ILE 41 1HG1 ILE 41 -0.840 -6.192 0.147 316 2HG1 ILE 41 2HG1 ILE 41 -0.479 -4.890 1.262 317 1HG2 ILE 41 1HG2 ILE 41 -1.446 -8.760 2.532 318 2HG2 ILE 41 2HG2 ILE 41 -1.598 -8.167 0.861 319 3HG2 ILE 41 3HG2 ILE 41 -0.040 -8.802 1.441 320 1HD1 ILE 41 1HD1 ILE 41 1.409 -5.501 -0.342 321 2HD1 ILE 41 2HD1 ILE 41 1.859 -5.505 1.380 322 3HD1 ILE 41 3HD1 ILE 41 1.554 -7.042 0.536 323 H ARG 42 H ARG 42 0.381 -5.840 4.701 324 HA ARG 42 HA ARG 42 -0.284 -3.013 4.925 325 1HB ARG 42 1HB ARG 42 -0.663 -4.221 7.057 326 2HB ARG 42 2HB ARG 42 0.958 -4.882 7.005 327 1HG ARG 42 1HG ARG 42 1.919 -2.591 7.162 328 2HG ARG 42 2HG ARG 42 0.308 -1.900 7.153 329 1HD ARG 42 1HD ARG 42 0.912 -1.978 9.463 330 2HD ARG 42 2HD ARG 42 -0.177 -3.335 9.251 331 HE ARG 42 HE ARG 42 2.495 -4.236 8.754 332 1HH1 ARG 42 1HH1 ARG 42 0.466 -3.153 11.448 333 2HH1 ARG 42 2HH1 ARG 42 1.336 -4.065 12.635 334 1HH2 ARG 42 1HH2 ARG 42 3.203 -5.402 11.948 335 H ARG 43 H ARG 43 1.187 -1.985 3.573 336 HA ARG 43 HA ARG 43 3.890 -3.014 3.576 337 1HB ARG 43 1HB ARG 43 2.160 -1.838 1.583 338 2HB ARG 43 2HB ARG 43 3.547 -0.782 1.762 339 1HG ARG 43 1HG ARG 43 4.354 -3.610 1.731 340 2HG ARG 43 2HG ARG 43 3.443 -3.193 0.293 341 1HD ARG 43 1HD ARG 43 4.992 -1.486 -0.348 342 2HD ARG 43 2HD ARG 43 5.689 -1.385 1.258 343 HE ARG 43 HE ARG 43 6.115 -4.038 0.370 344 1HH1 ARG 43 1HH1 ARG 43 7.102 -0.774 -0.593 345 2HH1 ARG 43 2HH1 ARG 43 8.601 -1.298 -1.285 346 1HH2 ARG 43 1HH2 ARG 43 9.162 -3.627 -1.244 347 H ASN 44 H ASN 44 5.710 -1.656 4.099 348 HA ASN 44 HA ASN 44 4.916 0.780 5.487 349 1HB ASN 44 1HB ASN 44 7.034 0.467 6.814 350 2HB ASN 44 2HB ASN 44 5.931 -0.882 7.000 351 1HD2 ASN 44 1HD2 ASN 44 9.050 0.028 6.367 352 2HD2 ASN 44 2HD2 ASN 44 9.678 -1.421 5.657 353 H VAL 45 H VAL 45 5.491 2.603 4.294 354 HA VAL 45 HA VAL 45 7.972 2.428 2.726 355 HB VAL 45 HB VAL 45 5.343 3.766 2.073 356 1HG1 VAL 45 1HG1 VAL 45 6.781 4.194 -0.149 357 2HG1 VAL 45 2HG1 VAL 45 6.716 5.363 1.192 358 3HG1 VAL 45 3HG1 VAL 45 8.100 4.254 1.043 359 1HG2 VAL 45 1HG2 VAL 45 6.673 1.991 0.117 360 2HG2 VAL 45 2HG2 VAL 45 6.111 1.188 1.603 361 3HG2 VAL 45 3HG2 VAL 45 4.962 2.100 0.596 362 H ARG 46 H ARG 46 9.280 4.346 2.665 363 HA ARG 46 HA ARG 46 8.959 5.863 5.066 364 1HB ARG 46 1HB ARG 46 11.121 6.163 2.927 365 2HB ARG 46 2HB ARG 46 11.212 6.696 4.594 366 1HG ARG 46 1HG ARG 46 11.465 4.506 5.433 367 2HG ARG 46 2HG ARG 46 10.691 3.769 4.044 368 1HD ARG 46 1HD ARG 46 12.911 5.046 2.905 369 2HD ARG 46 2HD ARG 46 13.534 4.486 4.445 370 HE ARG 46 HE ARG 46 12.005 2.382 3.212 371 1HH1 ARG 46 1HH1 ARG 46 15.106 4.067 2.902 372 2HH1 ARG 46 2HH1 ARG 46 15.905 2.719 2.163 373 1HH2 ARG 46 1HH2 ARG 46 14.683 0.693 1.783 374 H GLY 47 H GLY 47 8.384 8.061 5.185 375 1HA GLY 47 1HA GLY 47 8.334 10.228 4.163 376 2HA GLY 47 2HA GLY 47 7.991 9.472 2.620 377 HA PRO 48 HA PRO 48 3.964 10.626 4.291 378 1HB PRO 48 1HB PRO 48 2.985 11.807 2.030 379 2HB PRO 48 2HB PRO 48 3.798 12.697 3.302 380 1HG PRO 48 1HG PRO 48 4.817 11.926 0.636 381 2HG PRO 48 2HG PRO 48 5.427 13.150 1.732 382 1HD PRO 48 1HD PRO 48 6.547 10.550 1.269 383 2HD PRO 48 2HD PRO 48 7.087 11.729 2.447 384 H VAL 49 H VAL 49 1.663 10.455 2.837 385 HA VAL 49 HA VAL 49 1.647 8.253 1.117 386 HB VAL 49 HB VAL 49 2.312 7.159 3.303 387 1HG1 VAL 49 1HG1 VAL 49 -0.589 7.678 4.032 388 2HG1 VAL 49 2HG1 VAL 49 0.614 6.775 4.982 389 3HG1 VAL 49 3HG1 VAL 49 0.803 8.528 4.742 390 1HG2 VAL 49 1HG2 VAL 49 1.428 5.248 2.508 391 2HG2 VAL 49 2HG2 VAL 49 -0.240 5.858 2.622 392 3HG2 VAL 49 3HG2 VAL 49 0.764 6.270 1.212 393 H ARG 50 H ARG 50 -0.525 7.799 0.357 394 HA ARG 50 HA ARG 50 -2.655 9.216 1.595 395 1HB ARG 50 1HB ARG 50 -1.704 11.055 0.267 396 2HB ARG 50 2HB ARG 50 -1.629 10.047 -1.163 397 1HG ARG 50 1HG ARG 50 -3.798 10.479 -1.689 398 2HG ARG 50 2HG ARG 50 -4.344 10.053 -0.079 399 1HD ARG 50 1HD ARG 50 -3.314 12.421 0.586 400 2HD ARG 50 2HD ARG 50 -3.472 12.758 -1.127 401 HE ARG 50 HE ARG 50 -5.932 11.621 -0.203 402 1HH1 ARG 50 1HH1 ARG 50 -4.044 14.602 0.119 403 2HH1 ARG 50 2HH1 ARG 50 -5.431 15.595 0.422 404 1HH2 ARG 50 1HH2 ARG 50 -7.606 14.591 0.463 405 H VAL 51 H VAL 51 -4.713 8.373 0.917 406 HA VAL 51 HA VAL 51 -4.734 5.793 -0.050 407 HB VAL 51 HB VAL 51 -6.860 7.935 0.059 408 1HG1 VAL 51 1HG1 VAL 51 -7.364 4.969 -0.287 409 2HG1 VAL 51 2HG1 VAL 51 -8.537 6.306 -0.362 410 3HG1 VAL 51 3HG1 VAL 51 -7.325 6.112 -1.651 411 1HG2 VAL 51 1HG2 VAL 51 -6.432 7.506 2.260 412 2HG2 VAL 51 2HG2 VAL 51 -7.565 6.170 1.945 413 3HG2 VAL 51 3HG2 VAL 51 -5.809 5.870 1.938 414 H GLY 52 H GLY 52 -4.523 4.899 -2.039 415 1HA GLY 52 1HA GLY 52 -5.311 4.991 -4.350 416 2HA GLY 52 2HA GLY 52 -4.892 6.692 -4.366 417 H ASP 53 H ASP 53 -2.416 6.112 -2.628 418 HA ASP 53 HA ASP 53 -0.548 6.138 -4.538 419 1HB ASP 53 1HB ASP 53 0.096 6.588 -2.278 420 2HB ASP 53 2HB ASP 53 -0.512 5.048 -1.706 421 HD2 ASP 53 HD2 ASP 53 3.032 4.966 -3.602 422 H ILE 54 H ILE 54 0.555 4.574 -5.814 423 HA ILE 54 HA ILE 54 -0.383 1.814 -5.473 424 HB ILE 54 HB ILE 54 0.613 3.222 -7.953 425 1HG1 ILE 54 1HG1 ILE 54 -1.683 3.875 -6.967 426 2HG1 ILE 54 2HG1 ILE 54 -1.580 3.463 -8.667 427 1HG2 ILE 54 1HG2 ILE 54 -0.459 0.418 -7.545 428 2HG2 ILE 54 2HG2 ILE 54 -0.169 1.185 -9.124 429 3HG2 ILE 54 3HG2 ILE 54 1.192 0.880 -8.020 430 1HD1 ILE 54 1HD1 ILE 54 -2.217 1.326 -6.608 431 2HD1 ILE 54 2HD1 ILE 54 -3.492 2.388 -7.253 432 3HD1 ILE 54 3HD1 ILE 54 -2.574 1.332 -8.352 433 H LEU 55 H LEU 55 1.111 0.139 -5.314 434 HA LEU 55 HA LEU 55 3.904 0.740 -5.709 435 1HB LEU 55 1HB LEU 55 2.683 0.362 -3.004 436 2HB LEU 55 2HB LEU 55 4.288 -0.265 -3.317 437 HG LEU 55 HG LEU 55 3.439 2.627 -3.637 438 1HD1 LEU 55 1HD1 LEU 55 5.304 1.500 -1.545 439 2HD1 LEU 55 2HD1 LEU 55 4.558 3.114 -1.620 440 3HD1 LEU 55 3HD1 LEU 55 3.554 1.685 -1.277 441 1HD2 LEU 55 1HD2 LEU 55 6.084 1.235 -4.079 442 2HD2 LEU 55 2HD2 LEU 55 5.162 2.262 -5.204 443 3HD2 LEU 55 3HD2 LEU 55 5.953 2.985 -3.782 444 H ILE 56 H ILE 56 4.606 -0.935 -6.909 445 HA ILE 56 HA ILE 56 3.145 -3.423 -6.783 446 HB ILE 56 HB ILE 56 5.565 -2.918 -8.475 447 1HG1 ILE 56 1HG1 ILE 56 2.867 -1.619 -8.740 448 2HG1 ILE 56 2HG1 ILE 56 4.463 -0.919 -8.937 449 1HG2 ILE 56 1HG2 ILE 56 4.664 -4.512 -9.906 450 2HG2 ILE 56 2HG2 ILE 56 4.260 -5.144 -8.292 451 3HG2 ILE 56 3HG2 ILE 56 3.018 -4.316 -9.260 452 1HD1 ILE 56 1HD1 ILE 56 4.763 -2.466 -10.972 453 2HD1 ILE 56 2HD1 ILE 56 3.024 -2.820 -10.830 454 3HD1 ILE 56 3HD1 ILE 56 3.570 -1.156 -11.153 455 H LEU 57 H LEU 57 4.127 -5.491 -6.325 456 HA LEU 57 HA LEU 57 6.776 -5.558 -5.265 457 1HB LEU 57 1HB LEU 57 6.251 -6.127 -3.004 458 2HB LEU 57 2HB LEU 57 5.606 -4.542 -3.381 459 HG LEU 57 HG LEU 57 3.557 -6.480 -3.885 460 1HD1 LEU 57 1HD1 LEU 57 4.674 -8.021 -2.423 461 2HD1 LEU 57 2HD1 LEU 57 4.908 -6.760 -1.189 462 3HD1 LEU 57 3HD1 LEU 57 3.270 -7.344 -1.564 463 1HD2 LEU 57 1HD2 LEU 57 2.341 -5.174 -2.190 464 2HD2 LEU 57 2HD2 LEU 57 3.854 -4.340 -1.759 465 3HD2 LEU 57 3HD2 LEU 57 3.158 -4.137 -3.385 466 H ARG 58 H ARG 58 7.518 -7.404 -6.148 467 HA ARG 58 HA ARG 58 5.680 -9.367 -6.994 468 1HB ARG 58 1HB ARG 58 8.147 -8.626 -7.854 469 2HB ARG 58 2HB ARG 58 8.631 -9.965 -6.832 470 1HG ARG 58 1HG ARG 58 6.349 -10.362 -8.783 471 2HG ARG 58 2HG ARG 58 7.994 -10.372 -9.389 472 1HD ARG 58 1HD ARG 58 7.568 -12.021 -6.937 473 2HD ARG 58 2HD ARG 58 6.699 -12.582 -8.353 474 HE ARG 58 HE ARG 58 9.514 -11.921 -8.877 475 1HH1 ARG 58 1HH1 ARG 58 7.256 -14.471 -7.900 476 2HH1 ARG 58 2HH1 ARG 58 8.318 -15.759 -8.360 477 1HH2 ARG 58 1HH2 ARG 58 10.464 -15.236 -9.290 478 H GLU 59 H GLU 59 4.745 -9.775 -4.755 479 HA GLU 59 HA GLU 59 5.644 -12.156 -3.752 480 1HB GLU 59 1HB GLU 59 7.585 -10.989 -2.843 481 2HB GLU 59 2HB GLU 59 6.572 -9.757 -2.118 482 1HG GLU 59 1HG GLU 59 6.137 -11.045 -0.290 483 2HG GLU 59 2HG GLU 59 5.735 -12.441 -1.270 484 HE2 GLU 59 HE2 GLU 59 8.135 -11.676 0.999 485 H THR 60 H THR 60 4.139 -13.016 -2.216 486 HA THR 60 HA THR 60 2.468 -11.764 -0.540 487 HB THR 60 HB THR 60 1.477 -10.253 -2.048 488 HG1 THR 60 HG1 THR 60 -0.277 -11.499 -1.271 489 1HG2 THR 60 1HG2 THR 60 0.640 -11.667 -4.333 490 2HG2 THR 60 2HG2 THR 60 1.996 -10.517 -4.267 491 3HG2 THR 60 3HG2 THR 60 2.295 -12.258 -4.056 492 H GLU 61 H GLU 61 2.759 -14.154 -3.167 493 HA GLU 61 HA GLU 61 0.767 -15.836 -2.127 494 1HB GLU 61 1HB GLU 61 1.891 -17.556 -3.654 495 2HB GLU 61 2HB GLU 61 1.322 -16.094 -4.436 496 1HG GLU 61 1HG GLU 61 3.423 -15.514 -5.082 497 2HG GLU 61 2HG GLU 61 4.054 -15.720 -3.460 498 HE2 GLU 61 HE2 GLU 61 4.852 -18.460 -6.135 499 H ARG 62 H ARG 62 1.074 -17.955 -1.075 500 HA ARG 62 HA ARG 62 3.564 -18.007 0.434 501 1HB ARG 62 1HB ARG 62 2.275 -18.961 2.341 502 2HB ARG 62 2HB ARG 62 1.656 -17.385 1.892 503 1HG ARG 62 1HG ARG 62 0.271 -19.343 0.294 504 2HG ARG 62 2HG ARG 62 0.255 -19.912 1.951 505 1HD ARG 62 1HD ARG 62 -0.336 -17.238 2.322 506 2HD ARG 62 2HD ARG 62 -1.073 -17.521 0.757 507 HE ARG 62 HE ARG 62 -2.047 -18.491 3.284 508 1HH1 ARG 62 1HH1 ARG 62 -1.718 -19.495 -0.098 509 2HH1 ARG 62 2HH1 ARG 62 -3.064 -20.584 -0.035 510 1HH2 ARG 62 1HH2 ARG 62 -4.288 -20.822 2.012 511 H GLU 63 H GLU 63 4.555 -20.079 0.717 512 HA GLU 63 HA GLU 63 3.985 -21.930 -1.281 513 1HB GLU 63 1HB GLU 63 5.960 -21.555 0.837 514 2HB GLU 63 2HB GLU 63 5.514 -23.245 0.712 515 1HG GLU 63 1HG GLU 63 6.563 -23.492 -1.301 516 2HG GLU 63 2HG GLU 63 5.876 -22.012 -1.940 517 HE2 GLU 63 HE2 GLU 63 9.556 -21.966 -0.450 518 H ALA 64 H ALA 64 2.420 -23.479 -1.374 519 HA ALA 64 HA ALA 64 1.720 -24.930 1.009 520 1HB ALA 64 1HB ALA 64 0.234 -22.615 0.334 521 2HB ALA 64 2HB ALA 64 -0.758 -24.002 -0.177 522 3HB ALA 64 3HB ALA 64 -0.202 -23.878 1.510 523 H ARG 65 H ARG 65 0.152 -24.163 -2.182 524 HA ARG 65 HA ARG 65 0.013 -25.379 -4.000 525 1HB ARG 65 1HB ARG 65 2.216 -26.587 -2.979 526 2HB ARG 65 2HB ARG 65 1.097 -27.924 -2.795 527 1HG ARG 65 1HG ARG 65 1.222 -28.394 -5.009 528 2HG ARG 65 2HG ARG 65 0.703 -26.772 -5.421 529 1HD ARG 65 1HD ARG 65 2.799 -26.598 -6.346 530 2HD ARG 65 2HD ARG 65 3.296 -26.252 -4.701 531 HE ARG 65 HE ARG 65 3.248 -29.094 -5.054 532 1HH1 ARG 65 1HH1 ARG 65 5.114 -26.269 -6.099 533 2HH1 ARG 65 2HH1 ARG 65 6.578 -27.166 -6.328 534 1HH2 ARG 65 1HH2 ARG 65 6.594 -29.520 -5.885 535 H GLU 66 H GLU 66 -0.385 -27.428 -1.016 536 HA GLU 66 HA GLU 66 -2.090 -28.513 -0.216 537 1HB GLU 66 1HB GLU 66 -3.429 -26.506 -1.922 538 2HB GLU 66 2HB GLU 66 -4.396 -27.947 -1.684 539 1HG GLU 66 1HG GLU 66 -4.763 -27.488 0.528 540 2HG GLU 66 2HG GLU 66 -3.093 -27.033 0.809 541 HE2 GLU 66 HE2 GLU 66 -5.875 -24.351 0.399 542 H ILE 67 H ILE 67 -0.500 -30.003 -1.768 543 HA ILE 67 HA ILE 67 -1.945 -31.213 -3.927 544 HB ILE 67 HB ILE 67 0.637 -30.841 -3.507 545 1HG1 ILE 67 1HG1 ILE 67 0.211 -33.428 -4.837 546 2HG1 ILE 67 2HG1 ILE 67 -0.911 -32.186 -5.355 547 1HG2 ILE 67 1HG2 ILE 67 0.654 -32.266 -1.467 548 2HG2 ILE 67 2HG2 ILE 67 0.253 -33.669 -2.488 549 3HG2 ILE 67 3HG2 ILE 67 1.790 -32.802 -2.729 550 1HD1 ILE 67 1HD1 ILE 67 0.921 -31.850 -6.797 551 2HD1 ILE 67 2HD1 ILE 67 1.221 -30.649 -5.519 552 3HD1 ILE 67 3HD1 ILE 67 2.113 -32.189 -5.519 553 H LYS 68 H LYS 68 -2.234 -33.675 -3.960 554 HA LYS 68 HA LYS 68 -2.450 -35.066 -1.535 555 1HB LYS 68 1HB LYS 68 -4.566 -33.253 -1.926 556 2HB LYS 68 2HB LYS 68 -5.220 -34.818 -2.360 557 1HG LYS 68 1HG LYS 68 -4.969 -35.685 -0.218 558 2HG LYS 68 2HG LYS 68 -3.533 -34.738 0.119 559 1HD LYS 68 1HD LYS 68 -4.930 -32.682 0.351 560 2HD LYS 68 2HD LYS 68 -6.371 -33.611 -0.013 561 1HE LYS 68 1HE LYS 68 -5.063 -35.033 2.083 562 2HE LYS 68 2HE LYS 68 -4.954 -33.341 2.528 563 1HZ LYS 68 1HZ LYS 68 -7.037 -34.250 3.315 564 2HZ LYS 68 2HZ LYS 68 -7.390 -33.185 2.135 565 H SER 69 H SER 69 -1.285 -35.397 -4.137 566 HA SER 69 HA SER 69 -2.776 -36.754 -5.939 567 1HB SER 69 1HB SER 69 0.076 -36.558 -5.226 568 2HB SER 69 2HB SER 69 -0.317 -38.104 -5.951 569 HG SER 69 HG SER 69 -0.681 -37.166 -7.860 570 H ARG 70 H ARG 70 -0.735 -38.258 -3.316 571 HA ARG 70 HA ARG 70 -0.742 -40.298 -2.526 572 1HB ARG 70 1HB ARG 70 -2.765 -38.926 -1.444 573 2HB ARG 70 2HB ARG 70 -3.757 -40.122 -2.253 574 1HG ARG 70 1HG ARG 70 -3.139 -41.800 -0.816 575 2HG ARG 70 2HG ARG 70 -1.460 -41.300 -0.792 576 1HD ARG 70 1HD ARG 70 -2.160 -39.340 0.706 577 2HD ARG 70 2HD ARG 70 -3.754 -40.062 0.800 578 HE ARG 70 HE ARG 70 -1.945 -42.119 1.465 579 1HH1 ARG 70 1HH1 ARG 70 -2.835 -38.948 2.770 580 2HH1 ARG 70 2HH1 ARG 70 -2.442 -39.370 4.402 581 1HH2 ARG 70 1HH2 ARG 70 -1.616 -41.569 4.879 582 H ARG 71 H ARG 71 -0.206 -41.663 -4.314 583 HA ARG 71 HA ARG 71 -2.429 -42.614 -5.890 584 1HB ARG 71 1HB ARG 71 0.168 -41.945 -6.570 585 2HB ARG 71 2HB ARG 71 0.315 -43.684 -6.409 586 1HG ARG 71 1HG ARG 71 -0.284 -43.298 -8.701 587 2HG ARG 71 2HG ARG 71 -1.737 -43.904 -7.930 588 1HD ARG 71 1HD ARG 71 -1.457 -40.945 -7.793 589 2HD ARG 71 2HD ARG 71 -1.582 -41.566 -9.426 590 HE ARG 71 HE ARG 71 -3.568 -42.849 -7.804 591 1HH1 ARG 71 1HH1 ARG 71 -2.853 -39.683 -9.225 592 2HH1 ARG 71 2HH1 ARG 71 -4.517 -39.209 -9.315 593 1HH2 ARG 71 1HH2 ARG 71 -6.210 -40.719 -8.543 Start of MODEL 3 1 1H MET 1 1H MET 1 5.832 -8.448 -25.067 2 HA MET 1 HA MET 1 3.797 -7.836 -24.296 3 1HB MET 1 1HB MET 1 4.938 -10.082 -22.570 4 2HB MET 1 2HB MET 1 3.261 -9.606 -22.403 5 1HG MET 1 1HG MET 1 4.274 -10.123 -25.194 6 2HG MET 1 2HG MET 1 4.047 -11.514 -24.153 7 1HE MET 1 1HE MET 1 2.932 -9.996 -26.749 8 2HE MET 1 2HE MET 1 1.184 -10.314 -26.850 9 3HE MET 1 3HE MET 1 1.769 -8.733 -26.281 10 H ALA 2 H ALA 2 2.360 -7.554 -22.148 11 HA ALA 2 HA ALA 2 3.643 -5.417 -20.708 12 1HB ALA 2 1HB ALA 2 1.407 -5.009 -21.409 13 2HB ALA 2 2HB ALA 2 0.847 -6.591 -20.815 14 3HB ALA 2 3HB ALA 2 1.297 -5.315 -19.658 15 H GLU 3 H GLU 3 1.986 -8.545 -19.868 16 HA GLU 3 HA GLU 3 2.263 -8.619 -17.260 17 1HB GLU 3 1HB GLU 3 3.032 -11.175 -17.755 18 2HB GLU 3 2HB GLU 3 1.391 -10.607 -17.987 19 1HG GLU 3 1HG GLU 3 1.570 -10.573 -20.307 20 2HG GLU 3 2HG GLU 3 3.281 -10.190 -20.283 21 HE2 GLU 3 HE2 GLU 3 4.016 -13.481 -20.901 22 H ASP 4 H ASP 4 3.874 -8.164 -15.829 23 HA ASP 4 HA ASP 4 6.528 -9.102 -16.524 24 1HB ASP 4 1HB ASP 4 5.673 -6.331 -16.387 25 2HB ASP 4 2HB ASP 4 6.794 -6.633 -15.075 26 HD2 ASP 4 HD2 ASP 4 8.009 -4.982 -16.889 27 H GLU 5 H GLU 5 4.073 -9.622 -14.602 28 HA GLU 5 HA GLU 5 3.789 -10.383 -12.586 29 1HB GLU 5 1HB GLU 5 6.633 -10.717 -12.987 30 2HB GLU 5 2HB GLU 5 6.357 -10.271 -11.314 31 1HG GLU 5 1HG GLU 5 4.375 -12.092 -11.541 32 2HG GLU 5 2HG GLU 5 5.411 -12.706 -12.814 33 HE2 GLU 5 HE2 GLU 5 6.311 -14.356 -11.885 34 H GLY 6 H GLY 6 4.350 -7.343 -13.352 35 1HA GLY 6 1HA GLY 6 5.021 -6.148 -10.823 36 2HA GLY 6 2HA GLY 6 4.498 -5.342 -12.288 37 H TYR 7 H TYR 7 3.366 -7.232 -9.442 38 HA TYR 7 HA TYR 7 0.609 -6.805 -9.980 39 1HB TYR 7 1HB TYR 7 2.346 -7.539 -7.547 40 2HB TYR 7 2HB TYR 7 0.597 -7.530 -7.454 41 HD1 TYR 7 HD1 TYR 7 -0.544 -8.917 -9.521 42 HD2 TYR 7 HD2 TYR 7 3.344 -9.601 -7.870 43 HE1 TYR 7 HE1 TYR 7 -0.593 -11.311 -10.377 44 HE2 TYR 7 HE2 TYR 7 3.281 -11.992 -8.732 45 HH TYR 7 HH TYR 7 2.241 -13.339 -10.224 46 HA PRO 8 HA PRO 8 0.662 -2.682 -8.455 47 1HB PRO 8 1HB PRO 8 -1.815 -1.975 -9.364 48 2HB PRO 8 2HB PRO 8 -0.364 -1.840 -10.336 49 1HG PRO 8 1HG PRO 8 -2.531 -3.842 -10.512 50 2HG PRO 8 2HG PRO 8 -1.318 -3.429 -11.707 51 1HD PRO 8 1HD PRO 8 -1.340 -5.744 -10.012 52 2HD PRO 8 2HD PRO 8 -0.071 -5.271 -11.125 53 H ALA 9 H ALA 9 -0.001 -1.597 -6.626 54 HA ALA 9 HA ALA 9 -2.146 -2.994 -5.191 55 1HB ALA 9 1HB ALA 9 0.195 -3.634 -4.413 56 2HB ALA 9 2HB ALA 9 0.396 -1.941 -3.901 57 3HB ALA 9 3HB ALA 9 -0.871 -2.950 -3.162 58 H GLU 10 H GLU 10 -3.637 -1.646 -4.218 59 HA GLU 10 HA GLU 10 -3.031 1.196 -4.479 60 1HB GLU 10 1HB GLU 10 -4.911 0.191 -5.924 61 2HB GLU 10 2HB GLU 10 -5.813 -0.042 -4.439 62 1HG GLU 10 1HG GLU 10 -5.109 2.566 -4.097 63 2HG GLU 10 2HG GLU 10 -5.092 2.511 -5.848 64 HE2 GLU 10 HE2 GLU 10 -7.566 3.025 -6.541 65 H VAL 11 H VAL 11 -2.951 2.374 -2.605 66 HA VAL 11 HA VAL 11 -3.026 1.200 -0.131 67 HB VAL 11 HB VAL 11 -3.512 4.064 -0.965 68 1HG1 VAL 11 1HG1 VAL 11 -3.528 4.750 1.191 69 2HG1 VAL 11 2HG1 VAL 11 -4.095 3.093 1.509 70 3HG1 VAL 11 3HG1 VAL 11 -2.373 3.500 1.712 71 1HG2 VAL 11 1HG2 VAL 11 -1.171 4.406 -0.629 72 2HG2 VAL 11 2HG2 VAL 11 -0.968 2.784 0.077 73 3HG2 VAL 11 3HG2 VAL 11 -1.344 2.962 -1.655 74 H ILE 12 H ILE 12 -4.582 0.705 1.378 75 HA ILE 12 HA ILE 12 -7.334 1.377 0.596 76 HB ILE 12 HB ILE 12 -7.940 -0.691 1.877 77 1HG1 ILE 12 1HG1 ILE 12 -5.367 -1.990 1.526 78 2HG1 ILE 12 2HG1 ILE 12 -5.233 -0.633 2.627 79 1HG2 ILE 12 1HG2 ILE 12 -7.654 -0.421 -0.674 80 2HG2 ILE 12 2HG2 ILE 12 -6.163 -1.368 -0.458 81 3HG2 ILE 12 3HG2 ILE 12 -7.734 -2.063 0.008 82 1HD1 ILE 12 1HD1 ILE 12 -7.513 -2.620 2.899 83 2HD1 ILE 12 2HD1 ILE 12 -5.917 -2.945 3.615 84 3HD1 ILE 12 3HD1 ILE 12 -6.849 -1.518 4.128 85 H GLU 13 H GLU 13 -4.876 1.191 3.182 86 HA GLU 13 HA GLU 13 -6.242 3.227 4.584 87 1HB GLU 13 1HB GLU 13 -7.594 1.364 5.405 88 2HB GLU 13 2HB GLU 13 -6.162 0.432 5.797 89 1HG GLU 13 1HG GLU 13 -7.100 1.484 7.832 90 2HG GLU 13 2HG GLU 13 -5.496 2.109 7.498 91 HE2 GLU 13 HE2 GLU 13 -8.847 2.849 7.065 92 H ILE 14 H ILE 14 -4.845 4.283 6.085 93 HA ILE 14 HA ILE 14 -2.081 3.368 5.881 94 HB ILE 14 HB ILE 14 -3.218 6.028 6.749 95 1HG1 ILE 14 1HG1 ILE 14 -1.766 5.572 4.162 96 2HG1 ILE 14 2HG1 ILE 14 -3.465 5.160 4.271 97 1HG2 ILE 14 1HG2 ILE 14 -0.488 6.109 5.856 98 2HG2 ILE 14 2HG2 ILE 14 -1.182 6.593 7.422 99 3HG2 ILE 14 3HG2 ILE 14 -0.657 4.912 7.163 100 1HD1 ILE 14 1HD1 ILE 14 -3.551 7.614 5.443 101 2HD1 ILE 14 2HD1 ILE 14 -2.149 7.843 4.371 102 3HD1 ILE 14 3HD1 ILE 14 -3.725 7.373 3.688 103 H ILE 15 H ILE 15 -0.815 2.879 7.681 104 HA ILE 15 HA ILE 15 -2.371 2.401 10.098 105 HB ILE 15 HB ILE 15 0.338 1.418 9.197 106 1HG1 ILE 15 1HG1 ILE 15 -2.069 -0.323 9.605 107 2HG1 ILE 15 2HG1 ILE 15 -1.948 0.620 8.133 108 1HG2 ILE 15 1HG2 ILE 15 0.768 0.901 11.309 109 2HG2 ILE 15 2HG2 ILE 15 -0.812 1.534 11.829 110 3HG2 ILE 15 3HG2 ILE 15 -0.660 -0.162 11.311 111 1HD1 ILE 15 1HD1 ILE 15 0.607 -0.679 8.766 112 2HD1 ILE 15 2HD1 ILE 15 -0.720 -1.858 8.627 113 3HD1 ILE 15 3HD1 ILE 15 -0.362 -0.759 7.274 114 H GLY 16 H GLY 16 1.132 3.188 9.718 115 1HA GLY 16 1HA GLY 16 0.988 5.812 10.711 116 2HA GLY 16 2HA GLY 16 1.234 4.722 12.060 117 H ARG 17 H ARG 17 3.339 6.066 12.114 118 HA ARG 17 HA ARG 17 5.216 5.065 10.149 119 1HB ARG 17 1HB ARG 17 5.343 7.372 12.147 120 2HB ARG 17 2HB ARG 17 6.742 6.861 11.223 121 1HG ARG 17 1HG ARG 17 5.035 7.091 9.158 122 2HG ARG 17 2HG ARG 17 4.202 8.174 10.255 123 1HD ARG 17 1HD ARG 17 7.180 8.530 9.980 124 2HD ARG 17 2HD ARG 17 6.189 9.020 8.621 125 HE ARG 17 HE ARG 17 6.368 10.354 11.196 126 1HH1 ARG 17 1HH1 ARG 17 4.170 9.735 8.487 127 2HH1 ARG 17 2HH1 ARG 17 3.218 11.154 8.774 128 1HH2 ARG 17 1HH2 ARG 17 3.791 12.604 10.594 129 H THR 18 H THR 18 7.566 4.715 11.158 130 HA THR 18 HA THR 18 7.707 3.925 13.878 131 HB THR 18 HB THR 18 6.324 2.038 13.060 132 HG1 THR 18 HG1 THR 18 9.162 1.319 13.166 133 1HG2 THR 18 1HG2 THR 18 8.648 1.543 11.126 134 2HG2 THR 18 2HG2 THR 18 7.238 0.484 11.360 135 3HG2 THR 18 3HG2 THR 18 7.028 2.095 10.636 136 H GLY 19 H GLY 19 9.157 5.756 12.408 137 1HA GLY 19 1HA GLY 19 11.723 4.330 12.026 138 2HA GLY 19 2HA GLY 19 11.221 5.711 11.072 139 H THR 20 H THR 20 11.158 4.948 14.633 140 HA THR 20 HA THR 20 11.974 6.041 16.389 141 HB THR 20 HB THR 20 13.820 7.379 14.342 142 HG1 THR 20 HG1 THR 20 13.657 4.936 14.468 143 1HG2 THR 20 1HG2 THR 20 15.368 7.634 16.193 144 2HG2 THR 20 2HG2 THR 20 13.816 8.299 16.757 145 3HG2 THR 20 3HG2 THR 20 14.329 6.674 17.272 146 H THR 21 H THR 21 12.467 8.744 14.058 147 HA THR 21 HA THR 21 10.683 10.336 15.728 148 HB THR 21 HB THR 21 12.881 10.832 13.702 149 HG1 THR 21 HG1 THR 21 13.229 10.742 16.046 150 1HG2 THR 21 1HG2 THR 21 10.849 12.901 14.695 151 2HG2 THR 21 2HG2 THR 21 12.343 13.264 13.799 152 3HG2 THR 21 3HG2 THR 21 11.023 12.371 13.005 153 H GLY 22 H GLY 22 10.757 8.641 12.660 154 1HA GLY 22 1HA GLY 22 8.327 8.313 11.975 155 2HA GLY 22 2HA GLY 22 8.308 10.059 11.821 156 H ASP 23 H ASP 23 10.917 7.668 11.016 157 HA ASP 23 HA ASP 23 11.159 8.951 8.461 158 1HB ASP 23 1HB ASP 23 12.703 6.629 9.710 159 2HB ASP 23 2HB ASP 23 13.134 7.418 8.205 160 HD2 ASP 23 HD2 ASP 23 15.086 9.577 9.552 161 H VAL 24 H VAL 24 9.686 6.155 9.968 162 HA VAL 24 HA VAL 24 9.410 4.823 7.369 163 HB VAL 24 HB VAL 24 9.012 3.793 10.185 164 1HG1 VAL 24 1HG1 VAL 24 8.827 1.574 9.134 165 2HG1 VAL 24 2HG1 VAL 24 7.533 2.669 8.591 166 3HG1 VAL 24 3HG1 VAL 24 8.918 2.329 7.525 167 1HG2 VAL 24 1HG2 VAL 24 11.281 3.812 10.119 168 2HG2 VAL 24 2HG2 VAL 24 11.040 2.316 9.184 169 3HG2 VAL 24 3HG2 VAL 24 11.341 3.853 8.340 170 H THR 25 H THR 25 7.303 4.156 6.653 171 HA THR 25 HA THR 25 5.045 5.218 8.166 172 HB THR 25 HB THR 25 5.842 6.022 5.323 173 HG1 THR 25 HG1 THR 25 5.710 8.113 6.451 174 1HG2 THR 25 1HG2 THR 25 3.183 5.895 6.639 175 2HG2 THR 25 2HG2 THR 25 3.622 7.530 6.091 176 3HG2 THR 25 3HG2 THR 25 3.580 6.183 4.929 177 H GLN 26 H GLN 26 4.211 3.220 8.624 178 HA GLN 26 HA GLN 26 4.111 1.253 6.579 179 1HB GLN 26 1HB GLN 26 3.872 1.327 9.420 180 2HB GLN 26 2HB GLN 26 2.356 0.681 8.824 181 1HG GLN 26 1HG GLN 26 4.153 -0.685 7.235 182 2HG GLN 26 2HG GLN 26 5.098 -0.491 8.698 183 1HE2 GLN 26 1HE2 GLN 26 4.495 -1.475 10.587 184 2HE2 GLN 26 2HE2 GLN 26 3.279 -2.703 10.693 185 H VAL 27 H VAL 27 2.306 0.553 5.370 186 HA VAL 27 HA VAL 27 -0.264 1.748 5.893 187 HB VAL 27 HB VAL 27 0.754 3.518 4.636 188 1HG1 VAL 27 1HG1 VAL 27 1.264 2.563 2.077 189 2HG1 VAL 27 2HG1 VAL 27 2.479 3.007 3.299 190 3HG1 VAL 27 3HG1 VAL 27 1.956 1.312 3.137 191 1HG2 VAL 27 1HG2 VAL 27 -1.634 2.562 4.093 192 2HG2 VAL 27 2HG2 VAL 27 -0.919 3.829 3.068 193 3HG2 VAL 27 3HG2 VAL 27 -0.888 2.132 2.535 194 H LYS 28 H LYS 28 -1.980 0.612 4.801 195 HA LYS 28 HA LYS 28 -1.113 -2.039 3.960 196 1HB LYS 28 1HB LYS 28 -3.451 -0.910 5.340 197 2HB LYS 28 2HB LYS 28 -3.869 -2.075 4.100 198 1HG LYS 28 1HG LYS 28 -2.129 -3.653 5.111 199 2HG LYS 28 2HG LYS 28 -1.942 -2.511 6.427 200 1HD LYS 28 1HD LYS 28 -4.642 -3.701 5.650 201 2HD LYS 28 2HD LYS 28 -3.588 -4.442 6.838 202 1HE LYS 28 1HE LYS 28 -4.485 -1.534 7.054 203 2HE LYS 28 2HE LYS 28 -5.413 -2.850 7.743 204 1HZ LYS 28 1HZ LYS 28 -4.021 -2.273 9.485 205 2HZ LYS 28 2HZ LYS 28 -3.126 -3.461 8.821 206 H VAL 29 H VAL 29 -1.315 -2.794 1.890 207 HA VAL 29 HA VAL 29 -2.699 -1.005 0.012 208 HB VAL 29 HB VAL 29 -1.015 -1.474 -1.624 209 1HG1 VAL 29 1HG1 VAL 29 -0.003 0.308 -0.730 210 2HG1 VAL 29 2HG1 VAL 29 -0.407 -0.209 0.925 211 3HG1 VAL 29 3HG1 VAL 29 1.062 -0.826 0.135 212 1HG2 VAL 29 1HG2 VAL 29 0.274 -3.266 0.463 213 2HG2 VAL 29 2HG2 VAL 29 -0.493 -3.784 -1.058 214 3HG2 VAL 29 3HG2 VAL 29 1.000 -2.816 -1.098 215 H ARG 30 H ARG 30 -4.029 -1.987 -1.530 216 HA ARG 30 HA ARG 30 -4.437 -4.817 -1.018 217 1HB ARG 30 1HB ARG 30 -6.430 -3.450 -0.599 218 2HB ARG 30 2HB ARG 30 -6.285 -2.666 -2.159 219 1HG ARG 30 1HG ARG 30 -6.949 -4.616 -3.350 220 2HG ARG 30 2HG ARG 30 -6.566 -5.683 -2.013 221 1HD ARG 30 1HD ARG 30 -8.913 -5.589 -1.883 222 2HD ARG 30 2HD ARG 30 -8.452 -4.360 -0.722 223 HE ARG 30 HE ARG 30 -8.839 -3.396 -3.488 224 1HH1 ARG 30 1HH1 ARG 30 -10.282 -3.842 -0.283 225 2HH1 ARG 30 2HH1 ARG 30 -11.528 -2.667 -0.544 226 1HH2 ARG 30 1HH2 ARG 30 -11.627 -1.507 -2.639 227 H ILE 31 H ILE 31 -4.691 -6.287 -2.843 228 HA ILE 31 HA ILE 31 -3.104 -5.526 -5.090 229 HB ILE 31 HB ILE 31 -4.558 -8.024 -4.260 230 1HG1 ILE 31 1HG1 ILE 31 -2.279 -7.116 -3.287 231 2HG1 ILE 31 2HG1 ILE 31 -2.527 -8.824 -3.594 232 1HG2 ILE 31 1HG2 ILE 31 -3.140 -8.975 -6.279 233 2HG2 ILE 31 2HG2 ILE 31 -4.788 -8.344 -6.510 234 3HG2 ILE 31 3HG2 ILE 31 -3.381 -7.331 -6.917 235 1HD1 ILE 31 1HD1 ILE 31 -1.473 -7.167 -5.871 236 2HD1 ILE 31 2HD1 ILE 31 -0.368 -7.516 -4.521 237 3HD1 ILE 31 3HD1 ILE 31 -1.110 -8.854 -5.431 238 H LEU 32 H LEU 32 -4.009 -3.997 -6.415 239 HA LEU 32 HA LEU 32 -6.701 -3.679 -6.894 240 1HB LEU 32 1HB LEU 32 -4.251 -2.573 -7.767 241 2HB LEU 32 2HB LEU 32 -5.157 -2.976 -9.211 242 HG LEU 32 HG LEU 32 -6.053 -1.177 -6.946 243 1HD1 LEU 32 1HD1 LEU 32 -4.831 0.285 -8.135 244 2HD1 LEU 32 2HD1 LEU 32 -4.828 -0.736 -9.594 245 3HD1 LEU 32 3HD1 LEU 32 -6.237 0.288 -9.227 246 1HD2 LEU 32 1HD2 LEU 32 -7.594 -2.460 -9.155 247 2HD2 LEU 32 2HD2 LEU 32 -8.088 -2.041 -7.497 248 3HD2 LEU 32 3HD2 LEU 32 -7.969 -0.771 -8.737 249 H GLU 33 H GLU 33 -4.291 -5.812 -8.487 250 HA GLU 33 HA GLU 33 -6.313 -7.570 -9.275 251 1HB GLU 33 1HB GLU 33 -5.959 -5.419 -11.072 252 2HB GLU 33 2HB GLU 33 -5.099 -6.754 -11.812 253 1HG GLU 33 1HG GLU 33 -7.416 -8.011 -10.953 254 2HG GLU 33 2HG GLU 33 -8.019 -6.411 -11.340 255 HE2 GLU 33 HE2 GLU 33 -6.698 -9.240 -12.624 256 H GLY 34 H GLY 34 -5.281 -9.316 -10.883 257 1HA GLY 34 1HA GLY 34 -3.113 -10.132 -11.673 258 2HA GLY 34 2HA GLY 34 -2.427 -9.601 -10.149 259 H ARG 35 H ARG 35 -5.609 -11.227 -10.706 260 HA ARG 35 HA ARG 35 -6.242 -13.290 -10.288 261 1HB ARG 35 1HB ARG 35 -3.618 -13.852 -10.505 262 2HB ARG 35 2HB ARG 35 -3.742 -14.063 -8.769 263 1HG ARG 35 1HG ARG 35 -5.598 -15.447 -10.759 264 2HG ARG 35 2HG ARG 35 -4.126 -16.178 -10.151 265 1HD ARG 35 1HD ARG 35 -5.142 -15.603 -7.764 266 2HD ARG 35 2HD ARG 35 -6.660 -15.493 -8.633 267 HE ARG 35 HE ARG 35 -6.681 -17.818 -8.763 268 1HH1 ARG 35 1HH1 ARG 35 -3.319 -16.770 -8.371 269 2HH1 ARG 35 2HH1 ARG 35 -2.696 -18.384 -8.281 270 1HH2 ARG 35 1HH2 ARG 35 -4.208 -20.236 -8.445 271 H ASP 36 H ASP 36 -4.144 -11.798 -7.734 272 HA ASP 36 HA ASP 36 -5.964 -12.744 -5.717 273 1HB ASP 36 1HB ASP 36 -3.376 -11.131 -5.599 274 2HB ASP 36 2HB ASP 36 -4.306 -11.547 -4.173 275 HD2 ASP 36 HD2 ASP 36 -1.564 -12.898 -4.421 276 H LYS 37 H LYS 37 -6.859 -10.754 -7.757 277 HA LYS 37 HA LYS 37 -6.725 -8.138 -6.946 278 1HB LYS 37 1HB LYS 37 -8.608 -7.761 -8.349 279 2HB LYS 37 2HB LYS 37 -7.664 -9.038 -9.090 280 1HG LYS 37 1HG LYS 37 -9.290 -10.602 -7.609 281 2HG LYS 37 2HG LYS 37 -10.342 -9.205 -7.717 282 1HD LYS 37 1HD LYS 37 -10.817 -9.596 -9.913 283 2HD LYS 37 2HD LYS 37 -9.132 -9.846 -10.322 284 1HE LYS 37 1HE LYS 37 -10.317 -12.041 -8.698 285 2HE LYS 37 2HE LYS 37 -11.065 -11.836 -10.270 286 1HZ LYS 37 1HZ LYS 37 -9.221 -13.276 -10.583 287 2HZ LYS 37 2HZ LYS 37 -8.717 -11.851 -11.189 288 H GLY 38 H GLY 38 -6.727 -7.951 -4.664 289 1HA GLY 38 1HA GLY 38 -8.755 -7.085 -3.296 290 2HA GLY 38 2HA GLY 38 -9.183 -8.784 -3.286 291 H ARG 39 H ARG 39 -6.332 -9.724 -3.290 292 HA ARG 39 HA ARG 39 -6.000 -10.089 -0.645 293 1HB ARG 39 1HB ARG 39 -4.743 -11.423 -2.227 294 2HB ARG 39 2HB ARG 39 -3.966 -10.011 -2.917 295 1HG ARG 39 1HG ARG 39 -2.530 -9.721 -1.054 296 2HG ARG 39 2HG ARG 39 -3.577 -10.620 0.024 297 1HD ARG 39 1HD ARG 39 -2.001 -11.844 -2.294 298 2HD ARG 39 2HD ARG 39 -1.514 -11.906 -0.611 299 HE ARG 39 HE ARG 39 -4.198 -12.909 -0.853 300 1HH1 ARG 39 1HH1 ARG 39 -0.858 -13.825 -1.598 301 2HH1 ARG 39 2HH1 ARG 39 -1.174 -15.526 -1.512 302 1HH2 ARG 39 1HH2 ARG 39 -3.390 -16.284 -1.007 303 H VAL 40 H VAL 40 -5.477 -8.736 1.046 304 HA VAL 40 HA VAL 40 -4.131 -6.223 0.355 305 HB VAL 40 HB VAL 40 -6.428 -6.162 1.341 306 1HG1 VAL 40 1HG1 VAL 40 -6.447 -7.996 2.848 307 2HG1 VAL 40 2HG1 VAL 40 -4.990 -7.419 3.692 308 3HG1 VAL 40 3HG1 VAL 40 -6.524 -6.533 3.858 309 1HG2 VAL 40 1HG2 VAL 40 -5.101 -4.789 3.479 310 2HG2 VAL 40 2HG2 VAL 40 -4.117 -4.638 2.003 311 3HG2 VAL 40 3HG2 VAL 40 -5.820 -4.120 1.993 312 H ILE 41 H ILE 41 -2.353 -5.495 1.653 313 HA ILE 41 HA ILE 41 -1.319 -7.369 3.605 314 HB ILE 41 HB ILE 41 0.855 -7.534 2.548 315 1HG1 ILE 41 1HG1 ILE 41 -0.290 -6.296 0.043 316 2HG1 ILE 41 2HG1 ILE 41 0.533 -5.329 1.250 317 1HG2 ILE 41 1HG2 ILE 41 0.278 -9.097 0.776 318 2HG2 ILE 41 2HG2 ILE 41 -0.828 -9.283 2.158 319 3HG2 ILE 41 3HG2 ILE 41 -1.370 -8.429 0.694 320 1HD1 ILE 41 1HD1 ILE 41 1.694 -6.984 -0.798 321 2HD1 ILE 41 2HD1 ILE 41 2.529 -5.965 0.400 322 3HD1 ILE 41 3HD1 ILE 41 2.149 -7.662 0.783 323 H ARG 42 H ARG 42 0.873 -6.342 4.502 324 HA ARG 42 HA ARG 42 0.239 -3.523 4.825 325 1HB ARG 42 1HB ARG 42 1.817 -5.395 6.664 326 2HB ARG 42 2HB ARG 42 1.483 -3.708 7.002 327 1HG ARG 42 1HG ARG 42 -0.293 -4.663 8.150 328 2HG ARG 42 2HG ARG 42 -1.057 -4.466 6.585 329 1HD ARG 42 1HD ARG 42 -1.063 -6.738 6.142 330 2HD ARG 42 2HD ARG 42 0.481 -7.007 6.927 331 HE ARG 42 HE ARG 42 -2.156 -7.157 8.177 332 1HH1 ARG 42 1HH1 ARG 42 1.287 -6.606 8.806 333 2HH1 ARG 42 2HH1 ARG 42 1.185 -7.077 10.470 334 1HH2 ARG 42 1HH2 ARG 42 -0.928 -7.762 11.369 335 H ARG 43 H ARG 43 1.515 -2.432 3.316 336 HA ARG 43 HA ARG 43 4.250 -3.331 3.043 337 1HB ARG 43 1HB ARG 43 2.285 -2.212 1.248 338 2HB ARG 43 2HB ARG 43 3.622 -1.082 1.324 339 1HG ARG 43 1HG ARG 43 4.291 -4.007 1.041 340 2HG ARG 43 2HG ARG 43 3.623 -3.193 -0.360 341 1HD ARG 43 1HD ARG 43 5.456 -1.330 0.248 342 2HD ARG 43 2HD ARG 43 6.233 -2.668 1.074 343 HE ARG 43 HE ARG 43 5.484 -3.585 -1.517 344 1HH1 ARG 43 1HH1 ARG 43 7.731 -1.263 -0.063 345 2HH1 ARG 43 2HH1 ARG 43 8.876 -1.371 -1.359 346 1HH2 ARG 43 1HH2 ARG 43 8.421 -2.826 -3.208 347 H ASN 44 H ASN 44 5.953 -2.161 3.918 348 HA ASN 44 HA ASN 44 5.218 0.317 5.223 349 1HB ASN 44 1HB ASN 44 7.290 0.012 6.528 350 2HB ASN 44 2HB ASN 44 6.372 -1.480 6.559 351 1HD2 ASN 44 1HD2 ASN 44 7.124 -3.296 5.594 352 2HD2 ASN 44 2HD2 ASN 44 8.701 -3.460 4.895 353 H VAL 45 H VAL 45 5.981 2.281 4.389 354 HA VAL 45 HA VAL 45 8.306 2.179 2.617 355 HB VAL 45 HB VAL 45 5.776 3.706 1.992 356 1HG1 VAL 45 1HG1 VAL 45 8.022 4.540 1.131 357 2HG1 VAL 45 2HG1 VAL 45 8.094 3.052 0.157 358 3HG1 VAL 45 3HG1 VAL 45 6.775 4.220 -0.099 359 1HG2 VAL 45 1HG2 VAL 45 6.715 1.199 0.579 360 2HG2 VAL 45 2HG2 VAL 45 5.535 1.169 1.912 361 3HG2 VAL 45 3HG2 VAL 45 5.161 2.049 0.411 362 H ARG 46 H ARG 46 9.426 4.267 2.450 363 HA ARG 46 HA ARG 46 9.163 5.661 4.942 364 1HB ARG 46 1HB ARG 46 11.184 6.262 2.740 365 2HB ARG 46 2HB ARG 46 11.344 6.580 4.456 366 1HG ARG 46 1HG ARG 46 11.517 4.198 4.962 367 2HG ARG 46 2HG ARG 46 11.089 3.760 3.320 368 1HD ARG 46 1HD ARG 46 13.335 5.544 3.141 369 2HD ARG 46 2HD ARG 46 13.711 4.384 4.399 370 HE ARG 46 HE ARG 46 12.602 3.209 1.930 371 1HH1 ARG 46 1HH1 ARG 46 15.537 4.079 3.715 372 2HH1 ARG 46 2HH1 ARG 46 16.549 2.988 2.827 373 1HH2 ARG 46 1HH2 ARG 46 15.587 1.642 1.094 374 H GLY 47 H GLY 47 8.321 7.741 5.163 375 1HA GLY 47 1HA GLY 47 8.041 9.946 4.301 376 2HA GLY 47 2HA GLY 47 7.847 9.284 2.691 377 HA PRO 48 HA PRO 48 3.703 9.826 4.575 378 1HB PRO 48 1HB PRO 48 2.738 11.799 2.949 379 2HB PRO 48 2HB PRO 48 3.450 12.114 4.518 380 1HG PRO 48 1HG PRO 48 4.609 12.554 1.834 381 2HG PRO 48 2HG PRO 48 5.106 13.237 3.370 382 1HD PRO 48 1HD PRO 48 6.392 11.108 1.943 383 2HD PRO 48 2HD PRO 48 6.819 11.713 3.531 384 H VAL 49 H VAL 49 1.447 10.074 3.157 385 HA VAL 49 HA VAL 49 1.633 8.807 0.648 386 HB VAL 49 HB VAL 49 2.188 7.006 2.494 387 1HG1 VAL 49 1HG1 VAL 49 -0.759 6.491 2.389 388 2HG1 VAL 49 2HG1 VAL 49 0.446 6.012 3.609 389 3HG1 VAL 49 3HG1 VAL 49 -0.153 7.688 3.560 390 1HG2 VAL 49 1HG2 VAL 49 0.304 5.695 0.757 391 2HG2 VAL 49 2HG2 VAL 49 1.165 6.962 -0.150 392 3HG2 VAL 49 3HG2 VAL 49 2.083 5.693 0.696 393 H ARG 50 H ARG 50 -0.736 7.985 0.034 394 HA ARG 50 HA ARG 50 -2.747 9.335 1.538 395 1HB ARG 50 1HB ARG 50 -2.150 10.169 -1.347 396 2HB ARG 50 2HB ARG 50 -3.547 10.693 -0.427 397 1HG ARG 50 1HG ARG 50 -2.055 11.762 1.260 398 2HG ARG 50 2HG ARG 50 -0.644 11.209 0.378 399 1HD ARG 50 1HD ARG 50 -1.819 12.484 -1.668 400 2HD ARG 50 2HD ARG 50 -2.636 13.353 -0.383 401 HE ARG 50 HE ARG 50 -0.013 13.466 0.430 402 1HH1 ARG 50 1HH1 ARG 50 -1.581 14.229 -2.654 403 2HH1 ARG 50 2HH1 ARG 50 -0.419 15.438 -3.089 404 1HH2 ARG 50 1HH2 ARG 50 1.397 15.910 -1.597 405 H VAL 51 H VAL 51 -4.771 8.326 1.227 406 HA VAL 51 HA VAL 51 -4.883 5.815 0.173 407 HB VAL 51 HB VAL 51 -6.489 6.797 1.729 408 1HG1 VAL 51 1HG1 VAL 51 -6.607 8.933 0.031 409 2HG1 VAL 51 2HG1 VAL 51 -8.127 8.095 -0.360 410 3HG1 VAL 51 3HG1 VAL 51 -7.791 8.594 1.316 411 1HG2 VAL 51 1HG2 VAL 51 -7.047 4.772 0.361 412 2HG2 VAL 51 2HG2 VAL 51 -8.467 5.703 0.899 413 3HG2 VAL 51 3HG2 VAL 51 -7.897 5.840 -0.783 414 H GLY 52 H GLY 52 -5.150 4.898 -1.828 415 1HA GLY 52 1HA GLY 52 -6.120 5.002 -4.015 416 2HA GLY 52 2HA GLY 52 -5.789 6.723 -4.061 417 H ASP 53 H ASP 53 -3.073 6.150 -2.645 418 HA ASP 53 HA ASP 53 -1.454 6.369 -4.747 419 1HB ASP 53 1HB ASP 53 -1.077 6.199 -2.073 420 2HB ASP 53 2HB ASP 53 -0.506 4.599 -2.500 421 HD2 ASP 53 HD2 ASP 53 1.404 4.474 -3.598 422 H ILE 54 H ILE 54 -0.696 4.988 -6.383 423 HA ILE 54 HA ILE 54 -1.338 2.140 -6.060 424 HB ILE 54 HB ILE 54 -1.960 4.025 -8.115 425 1HG1 ILE 54 1HG1 ILE 54 -3.513 2.391 -7.205 426 2HG1 ILE 54 2HG1 ILE 54 -3.350 2.187 -8.938 427 1HG2 ILE 54 1HG2 ILE 54 0.075 3.516 -9.241 428 2HG2 ILE 54 2HG2 ILE 54 -0.127 1.771 -8.959 429 3HG2 ILE 54 3HG2 ILE 54 -1.224 2.625 -10.070 430 1HD1 ILE 54 1HD1 ILE 54 -2.861 0.009 -8.559 431 2HD1 ILE 54 2HD1 ILE 54 -1.327 0.543 -7.830 432 3HD1 ILE 54 3HD1 ILE 54 -2.759 0.289 -6.804 433 H LEU 55 H LEU 55 0.425 0.967 -5.542 434 HA LEU 55 HA LEU 55 2.901 1.634 -6.959 435 1HB LEU 55 1HB LEU 55 2.424 2.031 -4.210 436 2HB LEU 55 2HB LEU 55 3.435 0.604 -4.324 437 HG LEU 55 HG LEU 55 4.314 2.872 -6.004 438 1HD1 LEU 55 1HD1 LEU 55 5.044 3.241 -3.159 439 2HD1 LEU 55 2HD1 LEU 55 4.751 4.439 -4.442 440 3HD1 LEU 55 3HD1 LEU 55 3.377 3.680 -3.601 441 1HD2 LEU 55 1HD2 LEU 55 6.435 2.089 -5.543 442 2HD2 LEU 55 2HD2 LEU 55 5.968 1.426 -3.959 443 3HD2 LEU 55 3HD2 LEU 55 5.468 0.597 -5.453 444 H ILE 56 H ILE 56 4.030 -0.128 -7.749 445 HA ILE 56 HA ILE 56 2.633 -2.670 -7.457 446 HB ILE 56 HB ILE 56 4.885 -2.105 -9.358 447 1HG1 ILE 56 1HG1 ILE 56 2.073 -1.070 -9.484 448 2HG1 ILE 56 2HG1 ILE 56 3.574 -0.278 -9.918 449 1HG2 ILE 56 1HG2 ILE 56 2.468 -3.770 -9.949 450 2HG2 ILE 56 2HG2 ILE 56 4.144 -3.935 -10.523 451 3HG2 ILE 56 3HG2 ILE 56 3.722 -4.416 -8.863 452 1HD1 ILE 56 1HD1 ILE 56 2.939 -0.784 -12.059 453 2HD1 ILE 56 2HD1 ILE 56 3.607 -2.389 -11.679 454 3HD1 ILE 56 3HD1 ILE 56 1.858 -2.095 -11.531 455 H LEU 57 H LEU 57 3.689 -4.590 -6.783 456 HA LEU 57 HA LEU 57 6.401 -4.264 -5.773 457 1HB LEU 57 1HB LEU 57 5.829 -5.194 -3.612 458 2HB LEU 57 2HB LEU 57 5.019 -3.666 -3.894 459 HG LEU 57 HG LEU 57 3.097 -5.404 -4.739 460 1HD1 LEU 57 1HD1 LEU 57 3.383 -6.927 -2.398 461 2HD1 LEU 57 2HD1 LEU 57 3.500 -7.486 -4.084 462 3HD1 LEU 57 3HD1 LEU 57 4.967 -6.987 -3.208 463 1HD2 LEU 57 1HD2 LEU 57 2.990 -3.456 -3.120 464 2HD2 LEU 57 2HD2 LEU 57 1.905 -4.826 -2.782 465 3HD2 LEU 57 3HD2 LEU 57 3.399 -4.619 -1.836 466 H ARG 58 H ARG 58 7.647 -6.024 -6.222 467 HA ARG 58 HA ARG 58 6.255 -8.209 -7.479 468 1HB ARG 58 1HB ARG 58 8.539 -6.894 -8.192 469 2HB ARG 58 2HB ARG 58 9.255 -8.187 -7.249 470 1HG ARG 58 1HG ARG 58 7.140 -8.920 -9.273 471 2HG ARG 58 2HG ARG 58 8.728 -8.478 -9.870 472 1HD ARG 58 1HD ARG 58 9.350 -10.213 -7.773 473 2HD ARG 58 2HD ARG 58 7.878 -10.917 -8.411 474 HE ARG 58 HE ARG 58 9.477 -10.299 -10.654 475 1HH1 ARG 58 1HH1 ARG 58 9.703 -12.403 -7.812 476 2HH1 ARG 58 2HH1 ARG 58 10.708 -13.572 -8.604 477 1HH2 ARG 58 1HH2 ARG 58 11.341 -13.220 -10.888 478 H GLU 59 H GLU 59 8.608 -7.526 -4.813 479 HA GLU 59 HA GLU 59 8.384 -10.275 -3.962 480 1HB GLU 59 1HB GLU 59 10.579 -8.834 -4.074 481 2HB GLU 59 2HB GLU 59 10.019 -8.137 -2.567 482 1HG GLU 59 1HG GLU 59 10.527 -10.018 -1.373 483 2HG GLU 59 2HG GLU 59 9.809 -11.079 -2.568 484 HE2 GLU 59 HE2 GLU 59 13.270 -10.056 -1.792 485 H THR 60 H THR 60 8.118 -10.639 -1.490 486 HA THR 60 HA THR 60 7.056 -10.277 0.456 487 HB THR 60 HB THR 60 7.537 -7.675 -0.403 488 HG1 THR 60 HG1 THR 60 7.285 -7.465 1.824 489 1HG2 THR 60 1HG2 THR 60 5.046 -7.740 -1.258 490 2HG2 THR 60 2HG2 THR 60 4.623 -7.771 0.471 491 3HG2 THR 60 3HG2 THR 60 5.532 -6.395 -0.197 492 H GLU 61 H GLU 61 5.903 -10.951 -2.472 493 HA GLU 61 HA GLU 61 3.113 -10.756 -1.758 494 1HB GLU 61 1HB GLU 61 2.675 -11.474 -4.059 495 2HB GLU 61 2HB GLU 61 3.836 -10.162 -4.064 496 1HG GLU 61 1HG GLU 61 5.702 -11.724 -4.369 497 2HG GLU 61 2HG GLU 61 4.645 -13.104 -4.150 498 HE2 GLU 61 HE2 GLU 61 5.298 -11.236 -7.443 499 H ARG 62 H ARG 62 5.753 -13.132 -2.176 500 HA ARG 62 HA ARG 62 3.886 -15.270 -1.673 501 1HB ARG 62 1HB ARG 62 5.897 -15.271 -3.396 502 2HB ARG 62 2HB ARG 62 6.890 -15.609 -1.993 503 1HG ARG 62 1HG ARG 62 5.851 -17.699 -1.586 504 2HG ARG 62 2HG ARG 62 4.400 -17.266 -2.470 505 1HD ARG 62 1HD ARG 62 5.678 -17.326 -4.617 506 2HD ARG 62 2HD ARG 62 7.143 -17.727 -3.744 507 HE ARG 62 HE ARG 62 5.001 -19.554 -4.431 508 1HH1 ARG 62 1HH1 ARG 62 7.457 -18.921 -1.958 509 2HH1 ARG 62 2HH1 ARG 62 7.547 -20.573 -1.447 510 1HH2 ARG 62 1HH2 ARG 62 6.164 -22.210 -2.519 511 H GLU 63 H GLU 63 3.961 -16.589 0.225 512 HA GLU 63 HA GLU 63 5.918 -15.779 2.212 513 1HB GLU 63 1HB GLU 63 3.489 -14.736 2.445 514 2HB GLU 63 2HB GLU 63 3.068 -16.321 3.061 515 1HG GLU 63 1HG GLU 63 3.692 -14.891 4.942 516 2HG GLU 63 2HG GLU 63 4.909 -16.139 4.759 517 HE2 GLU 63 HE2 GLU 63 7.347 -14.030 4.733 518 H ALA 64 H ALA 64 6.214 -17.439 3.959 519 HA ALA 64 HA ALA 64 4.979 -19.936 3.849 520 1HB ALA 64 1HB ALA 64 6.519 -21.297 2.676 521 2HB ALA 64 2HB ALA 64 6.298 -19.880 1.622 522 3HB ALA 64 3HB ALA 64 7.754 -20.017 2.636 523 H ARG 65 H ARG 65 8.396 -18.719 4.174 524 HA ARG 65 HA ARG 65 9.612 -18.402 5.956 525 1HB ARG 65 1HB ARG 65 7.081 -18.224 7.111 526 2HB ARG 65 2HB ARG 65 7.804 -19.523 8.039 527 1HG ARG 65 1HG ARG 65 9.577 -17.161 7.584 528 2HG ARG 65 2HG ARG 65 8.168 -16.847 8.578 529 1HD ARG 65 1HD ARG 65 8.784 -18.610 10.152 530 2HD ARG 65 2HD ARG 65 10.047 -19.199 9.089 531 HE ARG 65 HE ARG 65 10.244 -16.954 10.917 532 1HH1 ARG 65 1HH1 ARG 65 11.444 -18.160 7.808 533 2HH1 ARG 65 2HH1 ARG 65 12.915 -17.250 7.882 534 1HH2 ARG 65 1HH2 ARG 65 13.330 -15.841 9.777 535 H GLU 66 H GLU 66 7.476 -21.276 6.661 536 HA GLU 66 HA GLU 66 7.914 -23.381 6.963 537 1HB GLU 66 1HB GLU 66 9.649 -22.677 4.892 538 2HB GLU 66 2HB GLU 66 10.712 -23.486 6.026 539 1HG GLU 66 1HG GLU 66 9.681 -25.537 5.757 540 2HG GLU 66 2HG GLU 66 8.085 -24.837 5.571 541 HE2 GLU 66 HE2 GLU 66 9.013 -26.487 2.779 542 H ILE 67 H ILE 67 7.918 -22.539 9.291 543 HA ILE 67 HA ILE 67 10.391 -22.187 10.605 544 HB ILE 67 HB ILE 67 9.044 -22.300 12.643 545 1HG1 ILE 67 1HG1 ILE 67 6.788 -23.092 10.780 546 2HG1 ILE 67 2HG1 ILE 67 7.498 -24.078 12.044 547 1HG2 ILE 67 1HG2 ILE 67 9.223 -20.222 11.293 548 2HG2 ILE 67 2HG2 ILE 67 7.695 -20.653 10.488 549 3HG2 ILE 67 3HG2 ILE 67 7.719 -20.332 12.239 550 1HD1 ILE 67 1HD1 ILE 67 5.624 -23.217 13.146 551 2HD1 ILE 67 2HD1 ILE 67 6.864 -22.029 13.613 552 3HD1 ILE 67 3HD1 ILE 67 5.720 -21.652 12.302 553 H LYS 68 H LYS 68 8.194 -24.981 10.056 554 HA LYS 68 HA LYS 68 8.385 -27.123 10.657 555 1HB LYS 68 1HB LYS 68 10.150 -26.485 8.716 556 2HB LYS 68 2HB LYS 68 11.263 -27.135 9.902 557 1HG LYS 68 1HG LYS 68 10.278 -29.275 9.868 558 2HG LYS 68 2HG LYS 68 8.726 -28.672 9.322 559 1HD LYS 68 1HD LYS 68 9.567 -28.290 7.071 560 2HD LYS 68 2HD LYS 68 11.223 -28.564 7.575 561 1HE LYS 68 1HE LYS 68 10.927 -30.898 7.772 562 2HE LYS 68 2HE LYS 68 9.196 -30.766 8.016 563 1HZ LYS 68 1HZ LYS 68 10.494 -31.216 5.606 564 2HZ LYS 68 2HZ LYS 68 8.898 -30.967 5.812 565 H SER 69 H SER 69 8.248 -25.990 12.983 566 HA SER 69 HA SER 69 10.652 -26.314 14.477 567 1HB SER 69 1HB SER 69 7.890 -25.291 14.965 568 2HB SER 69 2HB SER 69 8.693 -25.971 16.366 569 HG SER 69 HG SER 69 9.328 -23.845 16.374 570 H ARG 70 H ARG 70 11.070 -27.934 16.081 571 HA ARG 70 HA ARG 70 9.112 -29.864 16.674 572 1HB ARG 70 1HB ARG 70 10.439 -30.373 14.285 573 2HB ARG 70 2HB ARG 70 11.440 -31.249 15.427 574 1HG ARG 70 1HG ARG 70 9.619 -32.626 16.154 575 2HG ARG 70 2HG ARG 70 8.416 -31.548 15.475 576 1HD ARG 70 1HD ARG 70 8.748 -32.315 13.286 577 2HD ARG 70 2HD ARG 70 10.421 -32.751 13.573 578 HE ARG 70 HE ARG 70 9.718 -34.875 14.252 579 1HH1 ARG 70 1HH1 ARG 70 6.952 -32.667 14.424 580 2HH1 ARG 70 2HH1 ARG 70 5.816 -33.921 14.794 581 1HH2 ARG 70 1HH2 ARG 70 6.583 -36.184 14.975 582 H ARG 71 H ARG 71 10.110 -31.639 18.147 583 HA ARG 71 HA ARG 71 12.637 -30.758 19.247 584 1HB ARG 71 1HB ARG 71 10.209 -30.168 20.498 585 2HB ARG 71 2HB ARG 71 10.684 -31.653 21.300 586 1HG ARG 71 1HG ARG 71 11.626 -29.785 22.550 587 2HG ARG 71 2HG ARG 71 12.945 -30.643 21.776 588 1HD ARG 71 1HD ARG 71 13.569 -28.751 20.689 589 2HD ARG 71 2HD ARG 71 12.001 -28.654 19.912 590 HE ARG 71 HE ARG 71 11.723 -27.731 22.607 591 1HH1 ARG 71 1HH1 ARG 71 13.215 -26.733 19.552 592 2HH1 ARG 71 2HH1 ARG 71 13.120 -25.042 19.915 593 1HH2 ARG 71 1HH2 ARG 71 12.165 -24.341 21.999 Start of MODEL 4 1 1H MET 1 1H MET 1 13.409 -0.243 -13.447 2 HA MET 1 HA MET 1 13.183 1.496 -14.880 3 1HB MET 1 1HB MET 1 13.739 -1.146 -16.217 4 2HB MET 1 2HB MET 1 13.466 0.207 -17.298 5 1HG MET 1 1HG MET 1 15.195 1.269 -15.346 6 2HG MET 1 2HG MET 1 15.790 -0.363 -15.572 7 1HE MET 1 1HE MET 1 16.126 3.055 -16.546 8 2HE MET 1 2HE MET 1 16.256 3.161 -18.318 9 3HE MET 1 3HE MET 1 14.666 2.917 -17.556 10 H ALA 2 H ALA 2 11.335 -1.203 -16.488 11 HA ALA 2 HA ALA 2 9.223 0.772 -17.023 12 1HB ALA 2 1HB ALA 2 9.202 -1.342 -18.962 13 2HB ALA 2 2HB ALA 2 9.495 0.395 -19.219 14 3HB ALA 2 3HB ALA 2 10.857 -0.695 -18.863 15 H GLU 3 H GLU 3 10.125 -2.687 -16.495 16 HA GLU 3 HA GLU 3 7.814 -3.927 -16.485 17 1HB GLU 3 1HB GLU 3 8.785 -5.008 -14.191 18 2HB GLU 3 2HB GLU 3 9.452 -5.360 -15.772 19 1HG GLU 3 1HG GLU 3 11.305 -3.928 -15.468 20 2HG GLU 3 2HG GLU 3 10.483 -2.946 -14.270 21 HE2 GLU 3 HE2 GLU 3 11.419 -6.568 -14.141 22 H ASP 4 H ASP 4 5.798 -3.555 -15.681 23 HA ASP 4 HA ASP 4 5.593 -2.589 -12.983 24 1HB ASP 4 1HB ASP 4 5.138 -0.908 -15.324 25 2HB ASP 4 2HB ASP 4 3.634 -1.114 -14.450 26 HD2 ASP 4 HD2 ASP 4 7.004 -0.232 -13.085 27 H GLU 5 H GLU 5 4.998 -5.006 -14.845 28 HA GLU 5 HA GLU 5 2.104 -5.030 -14.656 29 1HB GLU 5 1HB GLU 5 4.031 -6.108 -16.525 30 2HB GLU 5 2HB GLU 5 3.108 -7.437 -15.852 31 1HG GLU 5 1HG GLU 5 1.047 -5.750 -16.306 32 2HG GLU 5 2HG GLU 5 2.154 -5.101 -17.499 33 HE2 GLU 5 HE2 GLU 5 2.176 -6.347 -19.463 34 H GLY 6 H GLY 6 4.436 -5.494 -12.519 35 1HA GLY 6 1HA GLY 6 4.249 -8.163 -11.656 36 2HA GLY 6 2HA GLY 6 4.758 -6.782 -10.705 37 H TYR 7 H TYR 7 3.618 -6.817 -8.807 38 HA TYR 7 HA TYR 7 0.730 -7.331 -9.015 39 1HB TYR 7 1HB TYR 7 2.640 -7.465 -6.605 40 2HB TYR 7 2HB TYR 7 1.017 -8.124 -6.672 41 HD1 TYR 7 HD1 TYR 7 3.872 -9.421 -6.076 42 HD2 TYR 7 HD2 TYR 7 1.203 -9.439 -9.419 43 HE1 TYR 7 HE1 TYR 7 4.808 -11.665 -6.820 44 HE2 TYR 7 HE2 TYR 7 2.147 -11.683 -10.153 45 HH TYR 7 HH TYR 7 4.299 -12.908 -9.866 46 HA PRO 8 HA PRO 8 0.854 -3.030 -7.848 47 1HB PRO 8 1HB PRO 8 -1.455 -2.299 -9.115 48 2HB PRO 8 2HB PRO 8 0.123 -2.221 -9.876 49 1HG PRO 8 1HG PRO 8 -2.047 -4.183 -10.305 50 2HG PRO 8 2HG PRO 8 -0.668 -3.830 -11.327 51 1HD PRO 8 1HD PRO 8 -0.985 -6.094 -9.594 52 2HD PRO 8 2HD PRO 8 0.439 -5.679 -10.527 53 H ALA 9 H ALA 9 0.202 -2.131 -5.979 54 HA ALA 9 HA ALA 9 -2.307 -3.251 -4.938 55 1HB ALA 9 1HB ALA 9 0.124 -3.975 -3.978 56 2HB ALA 9 2HB ALA 9 -0.158 -2.509 -3.010 57 3HB ALA 9 3HB ALA 9 -1.329 -3.849 -2.959 58 H GLU 10 H GLU 10 -3.781 -1.707 -4.417 59 HA GLU 10 HA GLU 10 -2.816 1.021 -4.456 60 1HB GLU 10 1HB GLU 10 -4.838 0.075 -5.840 61 2HB GLU 10 2HB GLU 10 -5.731 0.198 -4.336 62 1HG GLU 10 1HG GLU 10 -4.379 2.666 -4.524 63 2HG GLU 10 2HG GLU 10 -4.870 2.331 -6.173 64 HE2 GLU 10 HE2 GLU 10 -6.528 3.725 -6.236 65 H VAL 11 H VAL 11 -3.113 2.480 -2.714 66 HA VAL 11 HA VAL 11 -3.144 1.305 -0.158 67 HB VAL 11 HB VAL 11 -3.273 4.134 -1.187 68 1HG1 VAL 11 1HG1 VAL 11 -3.076 3.227 1.705 69 2HG1 VAL 11 2HG1 VAL 11 -2.860 4.896 1.123 70 3HG1 VAL 11 3HG1 VAL 11 -4.441 4.094 0.960 71 1HG2 VAL 11 1HG2 VAL 11 -0.987 4.261 -0.697 72 2HG2 VAL 11 2HG2 VAL 11 -1.040 2.846 0.382 73 3HG2 VAL 11 3HG2 VAL 11 -1.178 2.628 -1.378 74 H ILE 12 H ILE 12 -4.806 0.788 1.181 75 HA ILE 12 HA ILE 12 -7.462 1.706 0.340 76 HB ILE 12 HB ILE 12 -8.324 -0.248 1.495 77 1HG1 ILE 12 1HG1 ILE 12 -6.134 -1.912 1.919 78 2HG1 ILE 12 2HG1 ILE 12 -5.604 -0.372 2.565 79 1HG2 ILE 12 1HG2 ILE 12 -7.301 -0.201 -0.948 80 2HG2 ILE 12 2HG2 ILE 12 -6.172 -1.381 -0.240 81 3HG2 ILE 12 3HG2 ILE 12 -7.924 -1.701 -0.220 82 1HD1 ILE 12 1HD1 ILE 12 -7.647 -2.223 3.595 83 2HD1 ILE 12 2HD1 ILE 12 -6.783 -0.912 4.432 84 3HD1 ILE 12 3HD1 ILE 12 -8.243 -0.550 3.480 85 H GLU 13 H GLU 13 -5.072 1.561 2.971 86 HA GLU 13 HA GLU 13 -6.410 3.691 4.258 87 1HB GLU 13 1HB GLU 13 -7.797 1.883 5.155 88 2HB GLU 13 2HB GLU 13 -6.379 0.963 5.617 89 1HG GLU 13 1HG GLU 13 -5.899 2.334 7.443 90 2HG GLU 13 2HG GLU 13 -6.589 3.761 6.697 91 HE2 GLU 13 HE2 GLU 13 -7.177 2.607 9.287 92 H ILE 14 H ILE 14 -5.002 4.800 5.711 93 HA ILE 14 HA ILE 14 -2.257 3.809 5.590 94 HB ILE 14 HB ILE 14 -3.350 6.551 6.231 95 1HG1 ILE 14 1HG1 ILE 14 -1.892 5.700 3.724 96 2HG1 ILE 14 2HG1 ILE 14 -3.639 5.643 3.851 97 1HG2 ILE 14 1HG2 ILE 14 -0.540 6.324 5.447 98 2HG2 ILE 14 2HG2 ILE 14 -1.296 7.231 6.778 99 3HG2 ILE 14 3HG2 ILE 14 -0.914 5.505 6.982 100 1HD1 ILE 14 1HD1 ILE 14 -3.824 7.891 3.589 101 2HD1 ILE 14 2HD1 ILE 14 -2.585 8.205 4.828 102 3HD1 ILE 14 3HD1 ILE 14 -2.100 7.883 3.145 103 H ILE 15 H ILE 15 -1.295 2.940 7.350 104 HA ILE 15 HA ILE 15 -2.803 2.815 9.783 105 HB ILE 15 HB ILE 15 -0.082 1.755 9.010 106 1HG1 ILE 15 1HG1 ILE 15 -2.340 -0.090 9.464 107 2HG1 ILE 15 2HG1 ILE 15 -2.533 0.959 8.073 108 1HG2 ILE 15 1HG2 ILE 15 -1.445 1.889 11.592 109 2HG2 ILE 15 2HG2 ILE 15 -1.012 0.230 11.115 110 3HG2 ILE 15 3HG2 ILE 15 0.245 1.488 11.200 111 1HD1 ILE 15 1HD1 ILE 15 -0.962 -0.176 6.890 112 2HD1 ILE 15 2HD1 ILE 15 0.203 -0.091 8.232 113 3HD1 ILE 15 3HD1 ILE 15 -1.005 -1.397 8.184 114 H GLY 16 H GLY 16 0.589 3.901 9.031 115 1HA GLY 16 1HA GLY 16 0.496 6.429 10.019 116 2HA GLY 16 2HA GLY 16 0.686 5.446 11.459 117 H ARG 17 H ARG 17 2.819 5.808 12.036 118 HA ARG 17 HA ARG 17 4.751 5.029 10.008 119 1HB ARG 17 1HB ARG 17 4.960 7.329 12.014 120 2HB ARG 17 2HB ARG 17 6.326 6.741 11.085 121 1HG ARG 17 1HG ARG 17 4.733 7.116 8.997 122 2HG ARG 17 2HG ARG 17 3.831 8.148 10.091 123 1HD ARG 17 1HD ARG 17 6.594 8.830 10.436 124 2HD ARG 17 2HD ARG 17 6.329 8.709 8.708 125 HE ARG 17 HE ARG 17 4.152 10.174 9.491 126 1HH1 ARG 17 1HH1 ARG 17 7.606 10.535 10.197 127 2HH1 ARG 17 2HH1 ARG 17 7.516 12.255 10.373 128 1HH2 ARG 17 1HH2 ARG 17 5.406 13.356 10.093 129 H THR 18 H THR 18 6.759 4.052 10.899 130 HA THR 18 HA THR 18 6.716 3.413 13.736 131 HB THR 18 HB THR 18 5.346 1.614 12.769 132 HG1 THR 18 HG1 THR 18 7.276 1.224 14.269 133 1HG2 THR 18 1HG2 THR 18 7.717 0.897 10.991 134 2HG2 THR 18 2HG2 THR 18 6.063 0.241 10.938 135 3HG2 THR 18 3HG2 THR 18 6.380 1.900 10.379 136 H GLY 19 H GLY 19 8.429 5.201 12.879 137 1HA GLY 19 1HA GLY 19 10.917 3.681 12.368 138 2HA GLY 19 2HA GLY 19 10.597 5.281 11.727 139 H THR 20 H THR 20 12.863 4.575 13.396 140 HA THR 20 HA THR 20 12.658 5.015 16.067 141 HB THR 20 HB THR 20 14.708 5.705 13.937 142 HG1 THR 20 HG1 THR 20 14.412 3.510 14.728 143 1HG2 THR 20 1HG2 THR 20 15.807 7.128 15.351 144 2HG2 THR 20 2HG2 THR 20 14.579 6.886 16.617 145 3HG2 THR 20 3HG2 THR 20 15.960 5.770 16.491 146 H THR 21 H THR 21 12.941 7.605 13.545 147 HA THR 21 HA THR 21 11.946 9.469 15.597 148 HB THR 21 HB THR 21 13.860 9.703 13.245 149 HG1 THR 21 HG1 THR 21 14.711 9.375 15.379 150 1HG2 THR 21 1HG2 THR 21 12.029 11.806 14.386 151 2HG2 THR 21 2HG2 THR 21 13.739 12.253 14.177 152 3HG2 THR 21 3HG2 THR 21 12.782 11.720 12.775 153 H GLY 22 H GLY 22 11.195 7.784 12.666 154 1HA GLY 22 1HA GLY 22 8.814 7.825 12.138 155 2HA GLY 22 2HA GLY 22 8.865 9.570 12.295 156 H ASP 23 H ASP 23 11.102 7.207 10.672 157 HA ASP 23 HA ASP 23 10.992 8.930 8.352 158 1HB ASP 23 1HB ASP 23 12.808 6.605 9.136 159 2HB ASP 23 2HB ASP 23 12.911 7.406 7.580 160 HD2 ASP 23 HD2 ASP 23 12.884 9.897 8.069 161 H VAL 24 H VAL 24 10.279 5.637 9.570 162 HA VAL 24 HA VAL 24 9.632 4.628 6.952 163 HB VAL 24 HB VAL 24 9.198 3.436 9.698 164 1HG1 VAL 24 1HG1 VAL 24 8.585 2.539 6.988 165 2HG1 VAL 24 2HG1 VAL 24 9.643 1.397 7.852 166 3HG1 VAL 24 3HG1 VAL 24 8.077 1.868 8.557 167 1HG2 VAL 24 1HG2 VAL 24 11.370 2.920 9.832 168 2HG2 VAL 24 2HG2 VAL 24 11.408 2.334 8.151 169 3HG2 VAL 24 3HG2 VAL 24 11.638 4.065 8.497 170 H THR 25 H THR 25 7.512 4.041 6.229 171 HA THR 25 HA THR 25 5.306 5.120 7.826 172 HB THR 25 HB THR 25 6.136 5.884 4.993 173 HG1 THR 25 HG1 THR 25 6.000 7.932 6.047 174 1HG2 THR 25 1HG2 THR 25 3.945 7.074 4.831 175 2HG2 THR 25 2HG2 THR 25 3.699 5.313 4.906 176 3HG2 THR 25 3HG2 THR 25 3.423 6.312 6.353 177 H GLN 26 H GLN 26 4.093 3.392 8.285 178 HA GLN 26 HA GLN 26 3.981 1.293 6.307 179 1HB GLN 26 1HB GLN 26 4.073 1.303 9.102 180 2HB GLN 26 2HB GLN 26 2.397 0.916 8.768 181 1HG GLN 26 1HG GLN 26 2.913 -1.100 7.725 182 2HG GLN 26 2HG GLN 26 4.454 -0.523 7.119 183 1HE2 GLN 26 1HE2 GLN 26 2.702 -1.613 9.969 184 2HE2 GLN 26 2HE2 GLN 26 4.063 -2.155 10.893 185 H VAL 27 H VAL 27 2.119 0.715 5.158 186 HA VAL 27 HA VAL 27 -0.384 1.981 5.866 187 HB VAL 27 HB VAL 27 1.193 2.614 3.389 188 1HG1 VAL 27 1HG1 VAL 27 -0.876 3.552 2.388 189 2HG1 VAL 27 2HG1 VAL 27 -0.932 1.781 2.554 190 3HG1 VAL 27 3HG1 VAL 27 -1.821 2.812 3.702 191 1HG2 VAL 27 1HG2 VAL 27 -0.142 4.157 5.595 192 2HG2 VAL 27 2HG2 VAL 27 1.493 4.328 4.914 193 3HG2 VAL 27 3HG2 VAL 27 0.083 4.915 4.000 194 H LYS 28 H LYS 28 -2.217 0.986 4.712 195 HA LYS 28 HA LYS 28 -1.538 -1.760 4.000 196 1HB LYS 28 1HB LYS 28 -3.904 -0.387 5.182 197 2HB LYS 28 2HB LYS 28 -4.225 -1.768 4.152 198 1HG LYS 28 1HG LYS 28 -2.842 -3.225 5.512 199 2HG LYS 28 2HG LYS 28 -2.162 -1.872 6.394 200 1HD LYS 28 1HD LYS 28 -4.426 -1.356 7.339 201 2HD LYS 28 2HD LYS 28 -5.097 -2.720 6.468 202 1HE LYS 28 1HE LYS 28 -2.848 -3.766 7.861 203 2HE LYS 28 2HE LYS 28 -3.635 -2.693 9.003 204 1HZ LYS 28 1HZ LYS 28 -5.747 -3.870 8.506 205 2HZ LYS 28 2HZ LYS 28 -4.959 -4.907 7.529 206 H VAL 29 H VAL 29 -1.908 -2.631 1.980 207 HA VAL 29 HA VAL 29 -3.273 -0.914 0.047 208 HB VAL 29 HB VAL 29 -1.535 -1.247 -1.582 209 1HG1 VAL 29 1HG1 VAL 29 -1.232 0.742 -0.332 210 2HG1 VAL 29 2HG1 VAL 29 -0.605 -0.144 1.079 211 3HG1 VAL 29 3HG1 VAL 29 0.373 -0.024 -0.404 212 1HG2 VAL 29 1HG2 VAL 29 0.048 -2.697 0.566 213 2HG2 VAL 29 2HG2 VAL 29 -0.786 -3.484 -0.795 214 3HG2 VAL 29 3HG2 VAL 29 0.563 -2.366 -1.106 215 H ARG 30 H ARG 30 -4.610 -2.036 -1.338 216 HA ARG 30 HA ARG 30 -4.704 -4.880 -0.825 217 1HB ARG 30 1HB ARG 30 -6.834 -3.754 -0.515 218 2HB ARG 30 2HB ARG 30 -6.688 -2.906 -2.041 219 1HG ARG 30 1HG ARG 30 -6.919 -5.008 -3.298 220 2HG ARG 30 2HG ARG 30 -6.880 -5.945 -1.818 221 1HD ARG 30 1HD ARG 30 -9.112 -5.650 -1.495 222 2HD ARG 30 2HD ARG 30 -8.951 -3.908 -1.606 223 HE ARG 30 HE ARG 30 -8.782 -5.156 -4.227 224 1HH1 ARG 30 1HH1 ARG 30 -11.077 -4.099 -1.741 225 2HH1 ARG 30 2HH1 ARG 30 -12.384 -3.895 -2.860 226 1HH2 ARG 30 1HH2 ARG 30 -12.026 -4.364 -5.183 227 H ILE 31 H ILE 31 -4.860 -6.423 -2.632 228 HA ILE 31 HA ILE 31 -3.211 -5.646 -4.827 229 HB ILE 31 HB ILE 31 -4.701 -8.218 -4.294 230 1HG1 ILE 31 1HG1 ILE 31 -2.992 -7.325 -2.545 231 2HG1 ILE 31 2HG1 ILE 31 -2.917 -8.997 -3.062 232 1HG2 ILE 31 1HG2 ILE 31 -2.798 -9.125 -5.761 233 2HG2 ILE 31 2HG2 ILE 31 -4.134 -8.262 -6.561 234 3HG2 ILE 31 3HG2 ILE 31 -2.579 -7.439 -6.288 235 1HD1 ILE 31 1HD1 ILE 31 -0.702 -7.604 -3.015 236 2HD1 ILE 31 2HD1 ILE 31 -1.018 -8.635 -4.430 237 3HD1 ILE 31 3HD1 ILE 31 -1.308 -6.882 -4.525 238 H LEU 32 H LEU 32 -3.960 -4.446 -6.488 239 HA LEU 32 HA LEU 32 -6.705 -4.167 -7.015 240 1HB LEU 32 1HB LEU 32 -4.177 -3.118 -7.978 241 2HB LEU 32 2HB LEU 32 -5.297 -3.390 -9.298 242 HG LEU 32 HG LEU 32 -5.986 -1.795 -6.817 243 1HD1 LEU 32 1HD1 LEU 32 -5.698 0.209 -8.275 244 2HD1 LEU 32 2HD1 LEU 32 -4.183 -0.647 -7.900 245 3HD1 LEU 32 3HD1 LEU 32 -4.945 -0.844 -9.497 246 1HD2 LEU 32 1HD2 LEU 32 -8.054 -2.152 -7.611 247 2HD2 LEU 32 2HD2 LEU 32 -7.619 -0.911 -8.810 248 3HD2 LEU 32 3HD2 LEU 32 -7.470 -2.636 -9.221 249 H GLU 33 H GLU 33 -4.088 -6.164 -8.484 250 HA GLU 33 HA GLU 33 -6.080 -7.983 -9.386 251 1HB GLU 33 1HB GLU 33 -5.332 -5.958 -11.187 252 2HB GLU 33 2HB GLU 33 -4.368 -7.334 -11.685 253 1HG GLU 33 1HG GLU 33 -6.207 -8.122 -12.756 254 2HG GLU 33 2HG GLU 33 -6.896 -8.458 -11.180 255 HE2 GLU 33 HE2 GLU 33 -7.152 -4.902 -12.731 256 H GLY 34 H GLY 34 -4.932 -9.913 -10.585 257 1HA GLY 34 1HA GLY 34 -2.485 -10.650 -10.878 258 2HA GLY 34 2HA GLY 34 -2.414 -10.409 -9.143 259 H ARG 35 H ARG 35 -2.518 -12.339 -8.085 260 HA ARG 35 HA ARG 35 -4.065 -14.433 -9.321 261 1HB ARG 35 1HB ARG 35 -1.671 -14.306 -7.703 262 2HB ARG 35 2HB ARG 35 -2.847 -15.271 -6.834 263 1HG ARG 35 1HG ARG 35 -2.582 -17.016 -8.262 264 2HG ARG 35 2HG ARG 35 -2.898 -15.998 -9.653 265 1HD ARG 35 1HD ARG 35 -0.367 -15.151 -9.048 266 2HD ARG 35 2HD ARG 35 -0.275 -16.792 -8.439 267 HE ARG 35 HE ARG 35 -0.322 -16.015 -11.210 268 1HH1 ARG 35 1HH1 ARG 35 -1.543 -18.538 -9.044 269 2HH1 ARG 35 2HH1 ARG 35 -1.631 -19.738 -10.289 270 1HH2 ARG 35 1HH2 ARG 35 -0.977 -19.164 -12.521 271 H ASP 36 H ASP 36 -3.831 -12.468 -6.311 272 HA ASP 36 HA ASP 36 -6.112 -13.834 -5.220 273 1HB ASP 36 1HB ASP 36 -3.881 -12.404 -4.171 274 2HB ASP 36 2HB ASP 36 -5.282 -11.427 -3.778 275 HD2 ASP 36 HD2 ASP 36 -7.086 -13.584 -3.189 276 H LYS 37 H LYS 37 -5.070 -10.650 -6.555 277 HA LYS 37 HA LYS 37 -6.202 -8.735 -6.863 278 1HB LYS 37 1HB LYS 37 -6.552 -9.858 -8.934 279 2HB LYS 37 2HB LYS 37 -7.839 -10.849 -8.277 280 1HG LYS 37 1HG LYS 37 -8.490 -8.051 -7.839 281 2HG LYS 37 2HG LYS 37 -8.063 -8.277 -9.523 282 1HD LYS 37 1HD LYS 37 -9.856 -9.703 -9.944 283 2HD LYS 37 2HD LYS 37 -9.874 -10.346 -8.313 284 1HE LYS 37 1HE LYS 37 -10.529 -7.700 -7.839 285 2HE LYS 37 2HE LYS 37 -11.251 -7.942 -9.417 286 1HZ LYS 37 1HZ LYS 37 -12.847 -8.606 -7.789 287 2HZ LYS 37 2HZ LYS 37 -12.311 -9.995 -8.448 288 H GLY 38 H GLY 38 -6.720 -8.065 -4.735 289 1HA GLY 38 1HA GLY 38 -8.703 -7.062 -3.751 290 2HA GLY 38 2HA GLY 38 -9.537 -8.585 -3.990 291 H ARG 39 H ARG 39 -6.127 -8.186 -2.894 292 HA ARG 39 HA ARG 39 -6.994 -9.345 -0.366 293 1HB ARG 39 1HB ARG 39 -5.517 -10.794 -1.888 294 2HB ARG 39 2HB ARG 39 -4.234 -9.624 -1.653 295 1HG ARG 39 1HG ARG 39 -4.817 -10.022 0.943 296 2HG ARG 39 2HG ARG 39 -5.444 -11.541 0.337 297 1HD ARG 39 1HD ARG 39 -3.318 -12.246 -0.479 298 2HD ARG 39 2HD ARG 39 -2.676 -10.616 -0.497 299 HE ARG 39 HE ARG 39 -2.052 -10.890 1.734 300 1HH1 ARG 39 1HH1 ARG 39 -4.640 -13.200 1.015 301 2HH1 ARG 39 2HH1 ARG 39 -4.559 -13.964 2.568 302 1HH2 ARG 39 1HH2 ARG 39 -2.966 -13.182 4.178 303 H VAL 40 H VAL 40 -6.763 -7.944 1.348 304 HA VAL 40 HA VAL 40 -5.242 -5.541 0.997 305 HB VAL 40 HB VAL 40 -7.488 -5.850 2.171 306 1HG1 VAL 40 1HG1 VAL 40 -5.693 -6.726 4.458 307 2HG1 VAL 40 2HG1 VAL 40 -7.448 -6.438 4.531 308 3HG1 VAL 40 3HG1 VAL 40 -6.806 -7.786 3.563 309 1HG2 VAL 40 1HG2 VAL 40 -5.172 -4.186 2.946 310 2HG2 VAL 40 2HG2 VAL 40 -6.833 -3.717 2.510 311 3HG2 VAL 40 3HG2 VAL 40 -6.471 -4.279 4.160 312 H ILE 41 H ILE 41 -3.258 -5.011 1.886 313 HA ILE 41 HA ILE 41 -2.058 -6.952 3.699 314 HB ILE 41 HB ILE 41 -0.029 -7.090 2.421 315 1HG1 ILE 41 1HG1 ILE 41 -1.226 -5.724 0.043 316 2HG1 ILE 41 2HG1 ILE 41 -0.574 -4.727 1.328 317 1HG2 ILE 41 1HG2 ILE 41 -2.107 -7.721 0.364 318 2HG2 ILE 41 2HG2 ILE 41 -0.729 -8.689 0.938 319 3HG2 ILE 41 3HG2 ILE 41 -2.186 -8.528 1.948 320 1HD1 ILE 41 1HD1 ILE 41 1.136 -5.247 -0.412 321 2HD1 ILE 41 2HD1 ILE 41 1.601 -5.887 1.183 322 3HD1 ILE 41 3HD1 ILE 41 0.949 -6.982 -0.059 323 H ARG 42 H ARG 42 0.286 -5.931 4.309 324 HA ARG 42 HA ARG 42 -0.196 -3.085 4.667 325 1HB ARG 42 1HB ARG 42 -0.694 -4.225 6.797 326 2HB ARG 42 2HB ARG 42 0.828 -5.092 6.736 327 1HG ARG 42 1HG ARG 42 2.109 -3.050 7.040 328 2HG ARG 42 2HG ARG 42 0.695 -2.046 6.781 329 1HD ARG 42 1HD ARG 42 0.818 -2.034 9.122 330 2HD ARG 42 2HD ARG 42 -0.298 -3.359 8.863 331 HE ARG 42 HE ARG 42 2.375 -4.396 8.829 332 1HH1 ARG 42 1HH1 ARG 42 0.021 -3.038 11.103 333 2HH1 ARG 42 2HH1 ARG 42 0.664 -3.886 12.468 334 1HH2 ARG 42 1HH2 ARG 42 2.547 -5.338 12.168 335 H ARG 43 H ARG 43 1.374 -2.177 3.343 336 HA ARG 43 HA ARG 43 3.966 -3.460 3.335 337 1HB ARG 43 1HB ARG 43 2.364 -2.188 1.331 338 2HB ARG 43 2HB ARG 43 3.764 -1.156 1.553 339 1HG ARG 43 1HG ARG 43 4.254 -4.122 1.368 340 2HG ARG 43 2HG ARG 43 3.795 -3.292 -0.106 341 1HD ARG 43 1HD ARG 43 5.951 -2.036 1.592 342 2HD ARG 43 2HD ARG 43 6.368 -3.470 0.676 343 HE ARG 43 HE ARG 43 4.951 -1.409 -0.877 344 1HH1 ARG 43 1HH1 ARG 43 8.108 -2.666 0.126 345 2HH1 ARG 43 2HH1 ARG 43 8.959 -1.925 -1.187 346 1HH2 ARG 43 1HH2 ARG 43 7.743 -0.614 -2.784 347 H ASN 44 H ASN 44 5.868 -2.362 4.015 348 HA ASN 44 HA ASN 44 5.323 0.184 5.324 349 1HB ASN 44 1HB ASN 44 7.144 -0.359 6.871 350 2HB ASN 44 2HB ASN 44 6.069 -1.741 6.801 351 1HD2 ASN 44 1HD2 ASN 44 6.666 -3.602 5.688 352 2HD2 ASN 44 2HD2 ASN 44 8.308 -3.965 5.275 353 H VAL 45 H VAL 45 6.307 1.946 4.321 354 HA VAL 45 HA VAL 45 8.909 1.553 3.092 355 HB VAL 45 HB VAL 45 6.448 2.527 1.637 356 1HG1 VAL 45 1HG1 VAL 45 8.302 2.726 -0.265 357 2HG1 VAL 45 2HG1 VAL 45 7.928 4.079 0.829 358 3HG1 VAL 45 3HG1 VAL 45 9.349 3.054 1.135 359 1HG2 VAL 45 1HG2 VAL 45 7.351 0.793 -0.052 360 2HG2 VAL 45 2HG2 VAL 45 8.326 0.185 1.308 361 3HG2 VAL 45 3HG2 VAL 45 6.549 0.195 1.420 362 H ARG 46 H ARG 46 10.098 3.563 2.860 363 HA ARG 46 HA ARG 46 9.275 5.414 4.865 364 1HB ARG 46 1HB ARG 46 11.687 5.810 3.064 365 2HB ARG 46 2HB ARG 46 11.499 6.262 4.747 366 1HG ARG 46 1HG ARG 46 11.325 3.718 5.248 367 2HG ARG 46 2HG ARG 46 11.891 3.463 3.610 368 1HD ARG 46 1HD ARG 46 14.016 4.420 4.045 369 2HD ARG 46 2HD ARG 46 13.436 5.339 5.420 370 HE ARG 46 HE ARG 46 13.051 2.661 6.143 371 1HH1 ARG 46 1HH1 ARG 46 15.825 4.649 5.193 372 2HH1 ARG 46 2HH1 ARG 46 16.963 3.724 6.114 373 1HH2 ARG 46 1HH2 ARG 46 16.191 1.841 7.380 374 H GLY 47 H GLY 47 8.287 7.395 4.496 375 1HA GLY 47 1HA GLY 47 8.371 9.400 3.051 376 2HA GLY 47 2HA GLY 47 8.165 8.320 1.687 377 HA PRO 48 HA PRO 48 4.067 9.518 3.553 378 1HB PRO 48 1HB PRO 48 3.358 11.708 2.078 379 2HB PRO 48 2HB PRO 48 4.054 11.817 3.683 380 1HG PRO 48 1HG PRO 48 5.328 12.350 1.069 381 2HG PRO 48 2HG PRO 48 5.849 12.849 2.666 382 1HD PRO 48 1HD PRO 48 6.949 10.720 1.090 383 2HD PRO 48 2HD PRO 48 7.391 11.145 2.732 384 H VAL 49 H VAL 49 1.844 9.820 2.335 385 HA VAL 49 HA VAL 49 1.889 8.972 -0.359 386 HB VAL 49 HB VAL 49 2.586 6.911 1.051 387 1HG1 VAL 49 1HG1 VAL 49 0.915 7.037 2.790 388 2HG1 VAL 49 2HG1 VAL 49 -0.400 7.003 1.590 389 3HG1 VAL 49 3HG1 VAL 49 0.626 5.568 1.827 390 1HG2 VAL 49 1HG2 VAL 49 1.223 7.255 -1.381 391 2HG2 VAL 49 2HG2 VAL 49 2.127 5.820 -0.842 392 3HG2 VAL 49 3HG2 VAL 49 0.375 5.930 -0.548 393 H ARG 50 H ARG 50 -0.562 8.059 -0.824 394 HA ARG 50 HA ARG 50 -2.436 9.286 0.933 395 1HB ARG 50 1HB ARG 50 -1.864 10.416 -1.840 396 2HB ARG 50 2HB ARG 50 -3.426 10.641 -1.077 397 1HG ARG 50 1HG ARG 50 -0.732 11.516 0.069 398 2HG ARG 50 2HG ARG 50 -1.943 12.574 -0.627 399 1HD ARG 50 1HD ARG 50 -3.317 11.047 1.351 400 2HD ARG 50 2HD ARG 50 -1.791 11.497 2.085 401 HE ARG 50 HE ARG 50 -2.481 13.736 2.106 402 1HH1 ARG 50 1HH1 ARG 50 -4.564 11.917 -0.110 403 2HH1 ARG 50 2HH1 ARG 50 -5.663 13.233 -0.354 404 1HH2 ARG 50 1HH2 ARG 50 -5.272 15.313 0.769 405 H VAL 51 H VAL 51 -4.594 8.475 0.561 406 HA VAL 51 HA VAL 51 -4.830 5.968 -0.460 407 HB VAL 51 HB VAL 51 -6.452 6.911 1.010 408 1HG1 VAL 51 1HG1 VAL 51 -7.808 8.653 -0.950 409 2HG1 VAL 51 2HG1 VAL 51 -7.480 8.906 0.782 410 3HG1 VAL 51 3HG1 VAL 51 -6.209 9.229 -0.423 411 1HG2 VAL 51 1HG2 VAL 51 -7.147 5.185 -0.751 412 2HG2 VAL 51 2HG2 VAL 51 -8.450 6.091 0.056 413 3HG2 VAL 51 3HG2 VAL 51 -7.946 6.534 -1.593 414 H GLY 52 H GLY 52 -4.981 5.038 -2.452 415 1HA GLY 52 1HA GLY 52 -5.944 5.173 -4.673 416 2HA GLY 52 2HA GLY 52 -5.447 6.853 -4.741 417 H ASP 53 H ASP 53 -2.839 6.160 -3.262 418 HA ASP 53 HA ASP 53 -1.227 5.999 -5.443 419 1HB ASP 53 1HB ASP 53 -0.869 6.323 -2.740 420 2HB ASP 53 2HB ASP 53 -0.214 4.709 -2.937 421 HD2 ASP 53 HD2 ASP 53 0.752 7.755 -5.035 422 H ILE 54 H ILE 54 0.037 4.212 -6.374 423 HA ILE 54 HA ILE 54 -0.845 1.542 -5.549 424 HB ILE 54 HB ILE 54 -0.713 2.618 -8.366 425 1HG1 ILE 54 1HG1 ILE 54 -3.047 1.523 -6.770 426 2HG1 ILE 54 2HG1 ILE 54 -2.741 3.223 -7.069 427 1HG2 ILE 54 1HG2 ILE 54 -1.508 -0.189 -7.625 428 2HG2 ILE 54 2HG2 ILE 54 -1.047 0.474 -9.211 429 3HG2 ILE 54 3HG2 ILE 54 0.188 0.238 -7.951 430 1HD1 ILE 54 1HD1 ILE 54 -3.600 3.107 -9.170 431 2HD1 ILE 54 2HD1 ILE 54 -2.645 1.655 -9.556 432 3HD1 ILE 54 3HD1 ILE 54 -4.207 1.497 -8.719 433 H LEU 55 H LEU 55 0.767 -0.020 -5.517 434 HA LEU 55 HA LEU 55 3.364 0.775 -6.588 435 1HB LEU 55 1HB LEU 55 2.828 -0.109 -3.752 436 2HB LEU 55 2HB LEU 55 4.419 -0.085 -4.486 437 HG LEU 55 HG LEU 55 3.298 2.491 -4.902 438 1HD1 LEU 55 1HD1 LEU 55 1.781 2.615 -3.236 439 2HD1 LEU 55 2HD1 LEU 55 2.513 1.280 -2.315 440 3HD1 LEU 55 3HD1 LEU 55 3.225 2.910 -2.238 441 1HD2 LEU 55 1HD2 LEU 55 5.470 1.484 -3.046 442 2HD2 LEU 55 2HD2 LEU 55 5.660 2.068 -4.716 443 3HD2 LEU 55 3HD2 LEU 55 5.171 3.197 -3.430 444 H ILE 56 H ILE 56 4.515 -0.912 -7.499 445 HA ILE 56 HA ILE 56 3.057 -3.438 -7.592 446 HB ILE 56 HB ILE 56 5.403 -2.702 -9.311 447 1HG1 ILE 56 1HG1 ILE 56 2.745 -1.423 -9.284 448 2HG1 ILE 56 2HG1 ILE 56 4.268 -0.855 -9.938 449 1HG2 ILE 56 1HG2 ILE 56 4.233 -5.031 -9.163 450 2HG2 ILE 56 2HG2 ILE 56 2.975 -4.252 -10.151 451 3HG2 ILE 56 3HG2 ILE 56 4.648 -4.340 -10.749 452 1HD1 ILE 56 1HD1 ILE 56 3.939 -2.678 -11.782 453 2HD1 ILE 56 2HD1 ILE 56 2.251 -2.727 -11.218 454 3HD1 ILE 56 3HD1 ILE 56 2.932 -1.213 -11.863 455 H LEU 57 H LEU 57 5.952 -4.406 -8.567 456 HA LEU 57 HA LEU 57 7.827 -5.197 -7.612 457 1HB LEU 57 1HB LEU 57 8.612 -4.342 -5.726 458 2HB LEU 57 2HB LEU 57 7.204 -3.301 -5.777 459 HG LEU 57 HG LEU 57 6.237 -5.539 -4.474 460 1HD1 LEU 57 1HD1 LEU 57 9.068 -5.051 -3.505 461 2HD1 LEU 57 2HD1 LEU 57 7.848 -6.079 -2.715 462 3HD1 LEU 57 3HD1 LEU 57 8.473 -6.515 -4.323 463 1HD2 LEU 57 1HD2 LEU 57 6.346 -2.865 -4.037 464 2HD2 LEU 57 2HD2 LEU 57 5.727 -4.053 -2.864 465 3HD2 LEU 57 3HD2 LEU 57 7.398 -3.456 -2.729 466 H ARG 58 H ARG 58 8.303 -7.339 -7.083 467 HA ARG 58 HA ARG 58 5.938 -8.911 -6.600 468 1HB ARG 58 1HB ARG 58 8.638 -9.373 -7.815 469 2HB ARG 58 2HB ARG 58 7.955 -10.748 -6.971 470 1HG ARG 58 1HG ARG 58 5.754 -9.956 -8.385 471 2HG ARG 58 2HG ARG 58 7.008 -9.386 -9.468 472 1HD ARG 58 1HD ARG 58 8.062 -11.767 -9.197 473 2HD ARG 58 2HD ARG 58 6.518 -12.234 -8.513 474 HE ARG 58 HE ARG 58 6.141 -10.824 -11.016 475 1HH1 ARG 58 1HH1 ARG 58 7.065 -13.978 -9.693 476 2HH1 ARG 58 2HH1 ARG 58 6.567 -14.854 -11.101 477 1HH2 ARG 58 1HH2 ARG 58 5.640 -13.657 -12.960 478 H GLU 59 H GLU 59 9.199 -8.204 -5.244 479 HA GLU 59 HA GLU 59 9.545 -10.055 -3.400 480 1HB GLU 59 1HB GLU 59 10.879 -7.891 -3.834 481 2HB GLU 59 2HB GLU 59 9.803 -7.105 -2.696 482 1HG GLU 59 1HG GLU 59 11.171 -9.684 -1.890 483 2HG GLU 59 2HG GLU 59 12.084 -8.189 -1.860 484 HE2 GLU 59 HE2 GLU 59 11.534 -9.132 0.787 485 H THR 60 H THR 60 6.949 -7.649 -3.440 486 HA THR 60 HA THR 60 6.202 -8.138 -0.695 487 HB THR 60 HB THR 60 5.991 -5.930 -2.052 488 HG1 THR 60 HG1 THR 60 4.771 -5.906 -0.180 489 1HG2 THR 60 1HG2 THR 60 4.412 -5.742 -3.714 490 2HG2 THR 60 2HG2 THR 60 4.537 -7.513 -3.835 491 3HG2 THR 60 3HG2 THR 60 3.257 -6.778 -2.841 492 H GLU 61 H GLU 61 6.399 -10.604 -1.804 493 HA GLU 61 HA GLU 61 3.757 -11.307 -2.716 494 1HB GLU 61 1HB GLU 61 6.448 -12.626 -2.658 495 2HB GLU 61 2HB GLU 61 5.056 -13.688 -2.584 496 1HG GLU 61 1HG GLU 61 4.276 -11.967 -4.594 497 2HG GLU 61 2HG GLU 61 6.013 -11.972 -4.828 498 HE2 GLU 61 HE2 GLU 61 3.950 -14.787 -3.879 499 H ARG 62 H ARG 62 5.757 -11.335 0.184 500 HA ARG 62 HA ARG 62 5.355 -11.878 2.235 501 1HB ARG 62 1HB ARG 62 2.573 -11.682 1.141 502 2HB ARG 62 2HB ARG 62 2.717 -12.556 2.653 503 1HG ARG 62 1HG ARG 62 3.333 -10.676 3.851 504 2HG ARG 62 2HG ARG 62 4.244 -9.990 2.521 505 1HD ARG 62 1HD ARG 62 2.467 -8.534 2.387 506 2HD ARG 62 2HD ARG 62 1.722 -9.826 1.466 507 HE ARG 62 HE ARG 62 1.104 -9.070 4.256 508 1HH1 ARG 62 1HH1 ARG 62 0.677 -11.461 1.676 509 2HH1 ARG 62 2HH1 ARG 62 -0.736 -12.163 2.391 510 1HH2 ARG 62 1HH2 ARG 62 -1.562 -11.286 4.462 511 H GLU 63 H GLU 63 6.209 -13.799 2.967 512 HA GLU 63 HA GLU 63 4.677 -16.164 2.753 513 1HB GLU 63 1HB GLU 63 6.049 -15.830 0.491 514 2HB GLU 63 2HB GLU 63 7.389 -16.426 1.450 515 1HG GLU 63 1HG GLU 63 5.028 -18.075 1.923 516 2HG GLU 63 2HG GLU 63 5.335 -17.960 0.202 517 HE2 GLU 63 HE2 GLU 63 6.151 -20.144 0.190 518 H ALA 64 H ALA 64 5.054 -15.372 5.097 519 HA ALA 64 HA ALA 64 7.511 -15.366 6.313 520 1HB ALA 64 1HB ALA 64 5.201 -16.580 7.775 521 2HB ALA 64 2HB ALA 64 6.289 -15.255 8.255 522 3HB ALA 64 3HB ALA 64 4.970 -14.949 7.101 523 H ARG 65 H ARG 65 8.949 -16.903 7.067 524 HA ARG 65 HA ARG 65 8.904 -19.372 5.859 525 1HB ARG 65 1HB ARG 65 10.652 -17.870 7.567 526 2HB ARG 65 2HB ARG 65 10.467 -19.442 8.319 527 1HG ARG 65 1HG ARG 65 10.893 -20.397 5.901 528 2HG ARG 65 2HG ARG 65 11.515 -18.799 5.543 529 1HD ARG 65 1HD ARG 65 12.676 -19.575 8.049 530 2HD ARG 65 2HD ARG 65 12.807 -20.965 6.989 531 HE ARG 65 HE ARG 65 13.566 -18.607 5.534 532 1HH1 ARG 65 1HH1 ARG 65 14.759 -20.729 8.109 533 2HH1 ARG 65 2HH1 ARG 65 16.426 -20.387 7.787 534 1HH2 ARG 65 1HH2 ARG 65 16.995 -18.872 6.019 535 H GLU 66 H GLU 66 7.785 -18.242 9.077 536 HA GLU 66 HA GLU 66 6.353 -19.133 10.469 537 1HB GLU 66 1HB GLU 66 5.562 -20.399 8.211 538 2HB GLU 66 2HB GLU 66 6.129 -21.797 9.102 539 1HG GLU 66 1HG GLU 66 4.711 -20.709 11.095 540 2HG GLU 66 2HG GLU 66 3.878 -19.899 9.783 541 HE2 GLU 66 HE2 GLU 66 1.959 -21.915 8.962 542 H ILE 67 H ILE 67 8.504 -19.072 11.678 543 HA ILE 67 HA ILE 67 9.549 -21.758 12.167 544 HB ILE 67 HB ILE 67 11.449 -20.655 13.151 545 1HG1 ILE 67 1HG1 ILE 67 11.169 -17.941 12.525 546 2HG1 ILE 67 2HG1 ILE 67 9.645 -18.373 13.274 547 1HG2 ILE 67 1HG2 ILE 67 11.916 -20.928 10.935 548 2HG2 ILE 67 2HG2 ILE 67 10.555 -19.913 10.402 549 3HG2 ILE 67 3HG2 ILE 67 12.032 -19.156 11.046 550 1HD1 ILE 67 1HD1 ILE 67 10.701 -19.124 15.283 551 2HD1 ILE 67 2HD1 ILE 67 12.298 -19.210 14.503 552 3HD1 ILE 67 3HD1 ILE 67 11.561 -17.627 14.846 553 H LYS 68 H LYS 68 10.353 -21.885 14.662 554 HA LYS 68 HA LYS 68 8.718 -20.631 16.565 555 1HB LYS 68 1HB LYS 68 6.942 -21.989 15.543 556 2HB LYS 68 2HB LYS 68 7.874 -23.445 15.817 557 1HG LYS 68 1HG LYS 68 6.861 -23.587 17.844 558 2HG LYS 68 2HG LYS 68 7.854 -22.233 18.344 559 1HD LYS 68 1HD LYS 68 5.580 -21.602 18.821 560 2HD LYS 68 2HD LYS 68 6.058 -20.673 17.413 561 1HE LYS 68 1HE LYS 68 4.859 -23.334 16.792 562 2HE LYS 68 2HE LYS 68 3.765 -22.206 17.569 563 1HZ LYS 68 1HZ LYS 68 3.637 -21.035 15.669 564 2HZ LYS 68 2HZ LYS 68 5.253 -20.899 15.523 565 H SER 69 H SER 69 11.292 -20.592 16.686 566 HA SER 69 HA SER 69 12.171 -22.971 18.092 567 1HB SER 69 1HB SER 69 13.764 -20.570 17.088 568 2HB SER 69 2HB SER 69 14.454 -21.998 17.831 569 HG SER 69 HG SER 69 12.744 -22.325 15.557 570 H ARG 70 H ARG 70 12.116 -22.963 20.308 571 HA ARG 70 HA ARG 70 12.772 -20.511 21.644 572 1HB ARG 70 1HB ARG 70 10.077 -21.119 21.280 573 2HB ARG 70 2HB ARG 70 10.391 -21.831 22.850 574 1HG ARG 70 1HG ARG 70 11.339 -19.660 23.650 575 2HG ARG 70 2HG ARG 70 11.041 -18.947 22.077 576 1HD ARG 70 1HD ARG 70 8.654 -20.263 23.276 577 2HD ARG 70 2HD ARG 70 9.255 -18.900 24.200 578 HE ARG 70 HE ARG 70 9.169 -18.185 21.417 579 1HH1 ARG 70 1HH1 ARG 70 7.002 -18.780 24.156 580 2HH1 ARG 70 2HH1 ARG 70 5.750 -17.748 23.550 581 1HH2 ARG 70 1HH2 ARG 70 6.075 -16.608 21.467 582 H ARG 71 H ARG 71 13.929 -20.938 23.547 583 HA ARG 71 HA ARG 71 14.279 -23.742 24.122 584 1HB ARG 71 1HB ARG 71 16.072 -21.629 23.933 585 2HB ARG 71 2HB ARG 71 15.858 -21.739 25.669 586 1HG ARG 71 1HG ARG 71 16.359 -24.217 25.532 587 2HG ARG 71 2HG ARG 71 16.672 -24.029 23.818 588 1HD ARG 71 1HD ARG 71 18.190 -22.005 25.216 589 2HD ARG 71 2HD ARG 71 18.469 -23.536 26.022 590 HE ARG 71 HE ARG 71 19.442 -22.789 23.411 591 1HH1 ARG 71 1HH1 ARG 71 18.219 -25.588 25.206 592 2HH1 ARG 71 2HH1 ARG 71 19.069 -26.741 24.231 593 1HH2 ARG 71 1HH2 ARG 71 20.441 -25.966 22.425 Start of MODEL 5 1 1H MET 1 1H MET 1 7.762 -1.477 -24.931 2 HA MET 1 HA MET 1 7.257 -3.697 -24.498 3 1HB MET 1 1HB MET 1 9.731 -4.064 -26.185 4 2HB MET 1 2HB MET 1 9.457 -5.276 -24.949 5 1HG MET 1 1HG MET 1 7.418 -6.001 -25.912 6 2HG MET 1 2HG MET 1 7.159 -4.490 -26.761 7 1HE MET 1 1HE MET 1 8.987 -4.486 -29.821 8 2HE MET 1 2HE MET 1 7.337 -5.147 -29.708 9 3HE MET 1 3HE MET 1 7.832 -3.801 -28.652 10 H ALA 2 H ALA 2 7.385 -2.661 -22.396 11 HA ALA 2 HA ALA 2 9.961 -3.146 -21.061 12 1HB ALA 2 1HB ALA 2 7.962 -0.886 -20.864 13 2HB ALA 2 2HB ALA 2 9.040 -1.268 -19.500 14 3HB ALA 2 3HB ALA 2 9.727 -0.808 -21.076 15 H GLU 3 H GLU 3 9.724 -3.645 -18.684 16 HA GLU 3 HA GLU 3 7.360 -5.309 -18.368 17 1HB GLU 3 1HB GLU 3 9.437 -5.707 -16.349 18 2HB GLU 3 2HB GLU 3 8.719 -6.869 -17.447 19 1HG GLU 3 1HG GLU 3 10.206 -5.823 -19.294 20 2HG GLU 3 2HG GLU 3 11.053 -4.991 -18.005 21 HE2 GLU 3 HE2 GLU 3 11.007 -7.747 -19.732 22 H ASP 4 H ASP 4 5.746 -4.369 -17.196 23 HA ASP 4 HA ASP 4 6.470 -3.178 -14.691 24 1HB ASP 4 1HB ASP 4 5.752 -1.595 -17.030 25 2HB ASP 4 2HB ASP 4 4.513 -1.412 -15.804 26 HD2 ASP 4 HD2 ASP 4 4.955 0.511 -15.060 27 H GLU 5 H GLU 5 4.942 -5.529 -16.016 28 HA GLU 5 HA GLU 5 2.318 -4.927 -14.893 29 1HB GLU 5 1HB GLU 5 2.386 -7.335 -16.540 30 2HB GLU 5 2HB GLU 5 1.370 -5.916 -16.696 31 1HG GLU 5 1HG GLU 5 4.243 -6.155 -17.711 32 2HG GLU 5 2HG GLU 5 2.805 -6.246 -18.707 33 HE2 GLU 5 HE2 GLU 5 4.153 -4.100 -19.558 34 H GLY 6 H GLY 6 2.456 -5.595 -12.761 35 1HA GLY 6 1HA GLY 6 3.131 -8.435 -12.348 36 2HA GLY 6 2HA GLY 6 3.883 -7.198 -11.361 37 H TYR 7 H TYR 7 2.953 -7.505 -9.350 38 HA TYR 7 HA TYR 7 0.011 -7.467 -9.279 39 1HB TYR 7 1HB TYR 7 2.084 -8.529 -7.263 40 2HB TYR 7 2HB TYR 7 0.353 -8.783 -7.172 41 HD1 TYR 7 HD1 TYR 7 -0.515 -10.801 -7.937 42 HD2 TYR 7 HD2 TYR 7 3.223 -9.430 -9.505 43 HE1 TYR 7 HE1 TYR 7 -0.258 -12.969 -9.241 44 HE2 TYR 7 HE2 TYR 7 3.467 -11.602 -10.803 45 HH TYR 7 HH TYR 7 0.911 -14.067 -10.688 46 HA PRO 8 HA PRO 8 1.362 -3.674 -7.257 47 1HB PRO 8 1HB PRO 8 -0.456 -1.999 -8.424 48 2HB PRO 8 2HB PRO 8 1.157 -2.256 -9.060 49 1HG PRO 8 1HG PRO 8 -1.419 -3.298 -10.068 50 2HG PRO 8 2HG PRO 8 0.118 -3.182 -10.900 51 1HD PRO 8 1HD PRO 8 -1.059 -5.551 -9.793 52 2HD PRO 8 2HD PRO 8 0.528 -5.411 -10.521 53 H ALA 9 H ALA 9 0.352 -2.238 -5.668 54 HA ALA 9 HA ALA 9 -2.201 -3.393 -4.793 55 1HB ALA 9 1HB ALA 9 0.170 -2.666 -3.025 56 2HB ALA 9 2HB ALA 9 -1.399 -3.303 -2.477 57 3HB ALA 9 3HB ALA 9 -0.319 -4.322 -3.458 58 H GLU 10 H GLU 10 -3.623 -1.900 -3.731 59 HA GLU 10 HA GLU 10 -2.810 0.865 -4.188 60 1HB GLU 10 1HB GLU 10 -4.642 0.263 -5.665 61 2HB GLU 10 2HB GLU 10 -5.551 -0.454 -4.349 62 1HG GLU 10 1HG GLU 10 -5.862 1.729 -3.282 63 2HG GLU 10 2HG GLU 10 -4.769 2.496 -4.416 64 HE2 GLU 10 HE2 GLU 10 -5.754 3.439 -5.976 65 H VAL 11 H VAL 11 -2.909 2.311 -2.474 66 HA VAL 11 HA VAL 11 -3.109 1.246 0.120 67 HB VAL 11 HB VAL 11 -3.046 4.076 -0.939 68 1HG1 VAL 11 1HG1 VAL 11 -3.182 3.003 1.848 69 2HG1 VAL 11 2HG1 VAL 11 -2.105 4.385 1.536 70 3HG1 VAL 11 3HG1 VAL 11 -3.842 4.509 1.166 71 1HG2 VAL 11 1HG2 VAL 11 -0.800 2.567 0.406 72 2HG2 VAL 11 2HG2 VAL 11 -1.082 2.466 -1.348 73 3HG2 VAL 11 3HG2 VAL 11 -0.719 4.037 -0.594 74 H ILE 12 H ILE 12 -4.854 0.887 1.397 75 HA ILE 12 HA ILE 12 -7.374 2.111 0.515 76 HB ILE 12 HB ILE 12 -8.518 0.224 1.316 77 1HG1 ILE 12 1HG1 ILE 12 -7.122 -0.003 3.410 78 2HG1 ILE 12 2HG1 ILE 12 -7.653 -1.502 2.674 79 1HG2 ILE 12 1HG2 ILE 12 -7.976 -0.701 -0.632 80 2HG2 ILE 12 2HG2 ILE 12 -6.305 -0.098 -0.541 81 3HG2 ILE 12 3HG2 ILE 12 -6.742 -1.632 0.249 82 1HD1 ILE 12 1HD1 ILE 12 -4.920 -0.470 3.053 83 2HD1 ILE 12 2HD1 ILE 12 -5.470 -2.136 2.747 84 3HD1 ILE 12 3HD1 ILE 12 -5.220 -1.017 1.385 85 H GLU 13 H GLU 13 -5.092 1.547 3.186 86 HA GLU 13 HA GLU 13 -6.201 3.754 4.557 87 1HB GLU 13 1HB GLU 13 -7.822 2.085 5.320 88 2HB GLU 13 2HB GLU 13 -6.541 0.976 5.765 89 1HG GLU 13 1HG GLU 13 -5.687 2.867 7.345 90 2HG GLU 13 2HG GLU 13 -7.238 3.636 7.072 91 HE2 GLU 13 HE2 GLU 13 -8.615 2.958 8.888 92 H ILE 14 H ILE 14 -4.712 4.608 6.096 93 HA ILE 14 HA ILE 14 -2.089 3.353 5.935 94 HB ILE 14 HB ILE 14 -3.042 6.101 6.724 95 1HG1 ILE 14 1HG1 ILE 14 -1.014 5.685 4.607 96 2HG1 ILE 14 2HG1 ILE 14 -2.612 5.064 4.242 97 1HG2 ILE 14 1HG2 ILE 14 -0.549 4.722 7.419 98 2HG2 ILE 14 2HG2 ILE 14 -0.305 6.275 6.585 99 3HG2 ILE 14 3HG2 ILE 14 -1.269 6.209 8.081 100 1HD1 ILE 14 1HD1 ILE 14 -3.446 7.410 5.148 101 2HD1 ILE 14 2HD1 ILE 14 -1.770 7.909 4.819 102 3HD1 ILE 14 3HD1 ILE 14 -2.788 7.282 3.500 103 H ILE 15 H ILE 15 -0.963 2.570 7.709 104 HA ILE 15 HA ILE 15 -2.601 1.972 9.994 105 HB ILE 15 HB ILE 15 0.256 1.276 9.303 106 1HG1 ILE 15 1HG1 ILE 15 -1.818 -0.821 9.322 107 2HG1 ILE 15 2HG1 ILE 15 -2.039 0.393 8.077 108 1HG2 ILE 15 1HG2 ILE 15 -1.345 -0.226 11.332 109 2HG2 ILE 15 2HG2 ILE 15 0.417 -0.018 11.183 110 3HG2 ILE 15 3HG2 ILE 15 -0.587 1.314 11.806 111 1HD1 ILE 15 1HD1 ILE 15 -0.267 -0.372 6.876 112 2HD1 ILE 15 2HD1 ILE 15 0.781 -0.415 8.314 113 3HD1 ILE 15 3HD1 ILE 15 -0.291 -1.790 7.953 114 H GLY 16 H GLY 16 0.703 3.449 9.601 115 1HA GLY 16 1HA GLY 16 0.359 5.822 10.826 116 2HA GLY 16 2HA GLY 16 0.459 4.722 12.187 117 H ARG 17 H ARG 17 2.296 6.816 10.489 118 HA ARG 17 HA ARG 17 4.537 5.249 9.879 119 1HB ARG 17 1HB ARG 17 5.700 7.533 9.786 120 2HB ARG 17 2HB ARG 17 4.293 7.372 8.754 121 1HG ARG 17 1HG ARG 17 3.332 9.143 9.788 122 2HG ARG 17 2HG ARG 17 3.323 8.256 11.299 123 1HD ARG 17 1HD ARG 17 5.241 9.300 12.094 124 2HD ARG 17 2HD ARG 17 5.960 9.442 10.501 125 HE ARG 17 HE ARG 17 3.673 11.123 10.524 126 1HH1 ARG 17 1HH1 ARG 17 6.817 10.929 12.147 127 2HH1 ARG 17 2HH1 ARG 17 6.931 12.639 12.401 128 1HH2 ARG 17 1HH2 ARG 17 5.159 14.060 11.635 129 H THR 18 H THR 18 6.670 5.317 11.003 130 HA THR 18 HA THR 18 6.626 6.263 13.752 131 HB THR 18 HB THR 18 5.834 4.101 14.260 132 HG1 THR 18 HG1 THR 18 8.680 3.632 13.759 133 1HG2 THR 18 1HG2 THR 18 5.739 2.508 12.625 134 2HG2 THR 18 2HG2 THR 18 6.841 3.462 11.603 135 3HG2 THR 18 3HG2 THR 18 7.500 2.298 12.779 136 H GLY 19 H GLY 19 8.686 3.973 11.850 137 1HA GLY 19 1HA GLY 19 10.881 4.052 11.368 138 2HA GLY 19 2HA GLY 19 10.627 5.754 11.039 139 H THR 20 H THR 20 13.091 5.012 12.016 140 HA THR 20 HA THR 20 13.376 4.886 14.772 141 HB THR 20 HB THR 20 15.703 5.495 14.266 142 HG1 THR 20 HG1 THR 20 14.533 6.283 11.692 143 1HG2 THR 20 1HG2 THR 20 16.099 3.654 12.965 144 2HG2 THR 20 2HG2 THR 20 14.333 3.478 12.819 145 3HG2 THR 20 3HG2 THR 20 15.243 4.382 11.584 146 H THR 21 H THR 21 13.099 7.756 12.609 147 HA THR 21 HA THR 21 12.689 9.343 15.059 148 HB THR 21 HB THR 21 14.270 9.884 12.514 149 HG1 THR 21 HG1 THR 21 15.832 10.221 14.162 150 1HG2 THR 21 1HG2 THR 21 13.762 12.109 12.588 151 2HG2 THR 21 2HG2 THR 21 12.575 11.797 13.878 152 3HG2 THR 21 3HG2 THR 21 14.270 12.151 14.294 153 H GLY 22 H GLY 22 11.768 8.684 11.664 154 1HA GLY 22 1HA GLY 22 9.146 8.869 11.770 155 2HA GLY 22 2HA GLY 22 9.546 10.573 11.878 156 H ASP 23 H ASP 23 11.083 7.854 10.017 157 HA ASP 23 HA ASP 23 10.695 9.511 7.653 158 1HB ASP 23 1HB ASP 23 12.803 7.465 8.433 159 2HB ASP 23 2HB ASP 23 12.557 7.883 6.749 160 HD2 ASP 23 HD2 ASP 23 12.382 10.920 7.298 161 H VAL 24 H VAL 24 10.238 6.364 9.243 162 HA VAL 24 HA VAL 24 9.461 4.991 6.854 163 HB VAL 24 HB VAL 24 9.189 4.294 9.785 164 1HG1 VAL 24 1HG1 VAL 24 9.297 1.924 8.383 165 2HG1 VAL 24 2HG1 VAL 24 7.821 2.680 9.030 166 3HG1 VAL 24 3HG1 VAL 24 8.287 2.947 7.333 167 1HG2 VAL 24 1HG2 VAL 24 11.198 3.003 9.535 168 2HG2 VAL 24 2HG2 VAL 24 11.255 3.326 7.786 169 3HG2 VAL 24 3HG2 VAL 24 11.530 4.649 8.945 170 H THR 25 H THR 25 7.317 4.297 6.299 171 HA THR 25 HA THR 25 5.123 5.461 7.804 172 HB THR 25 HB THR 25 5.639 6.126 4.857 173 HG1 THR 25 HG1 THR 25 5.621 7.740 7.306 174 1HG2 THR 25 1HG2 THR 25 3.843 7.882 5.395 175 2HG2 THR 25 2HG2 THR 25 3.243 6.209 5.312 176 3HG2 THR 25 3HG2 THR 25 3.519 6.979 6.893 177 H GLN 26 H GLN 26 4.298 3.470 8.313 178 HA GLN 26 HA GLN 26 4.099 1.503 6.261 179 1HB GLN 26 1HB GLN 26 3.853 1.621 9.167 180 2HB GLN 26 2HB GLN 26 2.514 0.722 8.481 181 1HG GLN 26 1HG GLN 26 4.325 -0.522 7.061 182 2HG GLN 26 2HG GLN 26 5.489 0.168 8.176 183 1HE2 GLN 26 1HE2 GLN 26 5.882 -2.141 8.565 184 2HE2 GLN 26 2HE2 GLN 26 4.959 -2.965 9.777 185 H VAL 27 H VAL 27 2.212 0.800 5.180 186 HA VAL 27 HA VAL 27 -0.305 2.037 5.875 187 HB VAL 27 HB VAL 27 -0.678 3.001 3.705 188 1HG1 VAL 27 1HG1 VAL 27 0.794 4.902 3.825 189 2HG1 VAL 27 2HG1 VAL 27 0.459 4.351 5.484 190 3HG1 VAL 27 3HG1 VAL 27 2.017 3.964 4.715 191 1HG2 VAL 27 1HG2 VAL 27 2.077 1.931 3.035 192 2HG2 VAL 27 2HG2 VAL 27 0.529 1.567 2.236 193 3HG2 VAL 27 3HG2 VAL 27 1.255 3.185 2.074 194 H LYS 28 H LYS 28 -2.127 0.998 4.704 195 HA LYS 28 HA LYS 28 -1.395 -1.756 4.066 196 1HB LYS 28 1HB LYS 28 -3.793 -0.412 5.226 197 2HB LYS 28 2HB LYS 28 -4.069 -1.842 4.252 198 1HG LYS 28 1HG LYS 28 -2.357 -3.075 5.648 199 2HG LYS 28 2HG LYS 28 -2.195 -1.653 6.658 200 1HD LYS 28 1HD LYS 28 -4.936 -2.867 6.181 201 2HD LYS 28 2HD LYS 28 -3.863 -3.572 7.374 202 1HE LYS 28 1HE LYS 28 -3.807 -1.556 8.684 203 2HE LYS 28 2HE LYS 28 -4.460 -0.588 7.378 204 1HZ LYS 28 1HZ LYS 28 -6.505 -2.114 7.610 205 2HZ LYS 28 2HZ LYS 28 -5.898 -2.544 9.058 206 H VAL 29 H VAL 29 -1.606 -2.598 2.038 207 HA VAL 29 HA VAL 29 -3.066 -0.962 0.091 208 HB VAL 29 HB VAL 29 -1.286 -1.538 -1.551 209 1HG1 VAL 29 1HG1 VAL 29 0.388 -0.048 0.247 210 2HG1 VAL 29 2HG1 VAL 29 -0.551 0.528 -1.151 211 3HG1 VAL 29 3HG1 VAL 29 -1.303 0.465 0.462 212 1HG2 VAL 29 1HG2 VAL 29 -0.414 -3.333 0.341 213 2HG2 VAL 29 2HG2 VAL 29 0.524 -2.782 -1.068 214 3HG2 VAL 29 3HG2 VAL 29 0.757 -2.004 0.516 215 H ARG 30 H ARG 30 -4.421 -2.114 -1.244 216 HA ARG 30 HA ARG 30 -4.471 -4.955 -0.706 217 1HB ARG 30 1HB ARG 30 -6.594 -3.769 -0.343 218 2HB ARG 30 2HB ARG 30 -6.525 -3.059 -1.944 219 1HG ARG 30 1HG ARG 30 -7.034 -5.099 -3.025 220 2HG ARG 30 2HG ARG 30 -6.465 -6.074 -1.684 221 1HD ARG 30 1HD ARG 30 -8.594 -6.206 -0.908 222 2HD ARG 30 2HD ARG 30 -8.584 -4.475 -0.630 223 HE ARG 30 HE ARG 30 -9.107 -5.267 -3.421 224 1HH1 ARG 30 1HH1 ARG 30 -10.535 -4.440 -0.286 225 2HH1 ARG 30 2HH1 ARG 30 -12.078 -4.026 -0.958 226 1HH2 ARG 30 1HH2 ARG 30 -12.411 -4.199 -3.325 227 H ILE 31 H ILE 31 -4.523 -6.518 -2.458 228 HA ILE 31 HA ILE 31 -2.967 -5.764 -4.691 229 HB ILE 31 HB ILE 31 -4.493 -8.277 -4.013 230 1HG1 ILE 31 1HG1 ILE 31 -1.674 -7.331 -3.556 231 2HG1 ILE 31 2HG1 ILE 31 -2.800 -8.044 -2.420 232 1HG2 ILE 31 1HG2 ILE 31 -3.350 -9.395 -5.788 233 2HG2 ILE 31 2HG2 ILE 31 -4.154 -7.963 -6.476 234 3HG2 ILE 31 3HG2 ILE 31 -2.400 -7.941 -6.173 235 1HD1 ILE 31 1HD1 ILE 31 -1.170 -9.403 -4.575 236 2HD1 ILE 31 2HD1 ILE 31 -1.350 -9.839 -2.860 237 3HD1 ILE 31 3HD1 ILE 31 -2.677 -10.157 -4.002 238 H LEU 32 H LEU 32 -3.597 -4.770 -6.523 239 HA LEU 32 HA LEU 32 -6.377 -4.327 -6.982 240 1HB LEU 32 1HB LEU 32 -3.851 -3.591 -8.448 241 2HB LEU 32 2HB LEU 32 -5.442 -3.223 -9.084 242 HG LEU 32 HG LEU 32 -4.936 -2.352 -6.291 243 1HD1 LEU 32 1HD1 LEU 32 -3.844 -0.464 -8.279 244 2HD1 LEU 32 2HD1 LEU 32 -3.296 -0.855 -6.631 245 3HD1 LEU 32 3HD1 LEU 32 -2.859 -1.919 -7.990 246 1HD2 LEU 32 1HD2 LEU 32 -6.609 -0.932 -6.711 247 2HD2 LEU 32 2HD2 LEU 32 -5.913 -0.422 -8.268 248 3HD2 LEU 32 3HD2 LEU 32 -6.890 -1.908 -8.174 249 H GLU 33 H GLU 33 -3.823 -6.485 -8.253 250 HA GLU 33 HA GLU 33 -5.857 -8.153 -9.327 251 1HB GLU 33 1HB GLU 33 -4.893 -6.214 -11.073 252 2HB GLU 33 2HB GLU 33 -3.874 -7.589 -11.451 253 1HG GLU 33 1HG GLU 33 -6.157 -8.943 -11.447 254 2HG GLU 33 2HG GLU 33 -6.891 -7.363 -11.643 255 HE2 GLU 33 HE2 GLU 33 -5.655 -9.842 -13.460 256 H GLY 34 H GLY 34 -4.742 -10.167 -10.435 257 1HA GLY 34 1HA GLY 34 -2.588 -11.318 -10.607 258 2HA GLY 34 2HA GLY 34 -2.198 -10.695 -9.017 259 H ARG 35 H ARG 35 -4.981 -12.433 -10.602 260 HA ARG 35 HA ARG 35 -6.050 -14.233 -10.059 261 1HB ARG 35 1HB ARG 35 -3.446 -14.825 -9.177 262 2HB ARG 35 2HB ARG 35 -4.430 -15.196 -7.775 263 1HG ARG 35 1HG ARG 35 -5.617 -16.895 -8.871 264 2HG ARG 35 2HG ARG 35 -5.395 -16.181 -10.456 265 1HD ARG 35 1HD ARG 35 -3.760 -17.749 -10.750 266 2HD ARG 35 2HD ARG 35 -2.771 -16.723 -9.729 267 HE ARG 35 HE ARG 35 -2.894 -18.357 -8.073 268 1HH1 ARG 35 1HH1 ARG 35 -5.702 -18.735 -10.202 269 2HH1 ARG 35 2HH1 ARG 35 -6.279 -20.154 -9.393 270 1HH2 ARG 35 1HH2 ARG 35 -5.062 -21.014 -7.518 271 H ASP 36 H ASP 36 -4.557 -13.471 -6.825 272 HA ASP 36 HA ASP 36 -6.850 -13.865 -5.403 273 1HB ASP 36 1HB ASP 36 -4.190 -12.811 -4.958 274 2HB ASP 36 2HB ASP 36 -5.334 -11.762 -4.143 275 HD2 ASP 36 HD2 ASP 36 -4.124 -13.106 -2.009 276 H LYS 37 H LYS 37 -5.374 -10.805 -6.704 277 HA LYS 37 HA LYS 37 -6.179 -8.693 -6.637 278 1HB LYS 37 1HB LYS 37 -7.758 -8.388 -8.376 279 2HB LYS 37 2HB LYS 37 -6.825 -9.809 -8.801 280 1HG LYS 37 1HG LYS 37 -8.764 -11.102 -7.497 281 2HG LYS 37 2HG LYS 37 -9.679 -9.641 -7.812 282 1HD LYS 37 1HD LYS 37 -8.214 -10.564 -10.200 283 2HD LYS 37 2HD LYS 37 -9.311 -11.788 -9.591 284 1HE LYS 37 1HE LYS 37 -10.990 -9.678 -9.427 285 2HE LYS 37 2HE LYS 37 -9.937 -9.047 -10.677 286 1HZ LYS 37 1HZ LYS 37 -10.374 -11.558 -11.551 287 2HZ LYS 37 2HZ LYS 37 -11.804 -11.251 -10.834 288 H GLY 38 H GLY 38 -6.535 -8.262 -4.416 289 1HA GLY 38 1HA GLY 38 -8.483 -7.109 -3.348 290 2HA GLY 38 2HA GLY 38 -9.333 -8.631 -3.531 291 H ARG 39 H ARG 39 -5.863 -8.085 -2.655 292 HA ARG 39 HA ARG 39 -6.495 -9.387 -0.128 293 1HB ARG 39 1HB ARG 39 -5.094 -10.857 -1.483 294 2HB ARG 39 2HB ARG 39 -3.993 -9.550 -1.871 295 1HG ARG 39 1HG ARG 39 -2.847 -9.766 0.098 296 2HG ARG 39 2HG ARG 39 -4.315 -9.924 1.043 297 1HD ARG 39 1HD ARG 39 -4.471 -12.331 -0.035 298 2HD ARG 39 2HD ARG 39 -2.779 -12.096 -0.424 299 HE ARG 39 HE ARG 39 -2.926 -11.407 2.263 300 1HH1 ARG 39 1HH1 ARG 39 -3.843 -14.279 0.403 301 2HH1 ARG 39 2HH1 ARG 39 -3.588 -15.369 1.724 302 1HH2 ARG 39 1HH2 ARG 39 -2.851 -14.504 3.834 303 H VAL 40 H VAL 40 -6.396 -7.898 1.527 304 HA VAL 40 HA VAL 40 -4.823 -5.508 1.176 305 HB VAL 40 HB VAL 40 -7.008 -5.281 2.090 306 1HG1 VAL 40 1HG1 VAL 40 -6.168 -7.537 3.880 307 2HG1 VAL 40 2HG1 VAL 40 -7.359 -6.358 4.480 308 3HG1 VAL 40 3HG1 VAL 40 -7.693 -7.285 2.997 309 1HG2 VAL 40 1HG2 VAL 40 -5.509 -4.970 4.637 310 2HG2 VAL 40 2HG2 VAL 40 -4.814 -4.166 3.209 311 3HG2 VAL 40 3HG2 VAL 40 -6.479 -3.792 3.719 312 H ILE 41 H ILE 41 -2.800 -5.155 1.966 313 HA ILE 41 HA ILE 41 -1.858 -6.955 4.069 314 HB ILE 41 HB ILE 41 0.280 -7.211 2.908 315 1HG1 ILE 41 1HG1 ILE 41 -1.039 -6.046 0.447 316 2HG1 ILE 41 2HG1 ILE 41 -0.026 -5.095 1.515 317 1HG2 ILE 41 1HG2 ILE 41 -1.041 -8.446 0.802 318 2HG2 ILE 41 2HG2 ILE 41 -0.691 -9.148 2.400 319 3HG2 ILE 41 3HG2 ILE 41 -2.264 -8.372 2.094 320 1HD1 ILE 41 1HD1 ILE 41 0.766 -7.003 -0.533 321 2HD1 ILE 41 2HD1 ILE 41 1.780 -5.871 0.393 322 3HD1 ILE 41 3HD1 ILE 41 1.431 -7.489 1.045 323 H ARG 42 H ARG 42 0.362 -6.050 4.929 324 HA ARG 42 HA ARG 42 -0.034 -3.175 5.122 325 1HB ARG 42 1HB ARG 42 1.381 -3.520 7.302 326 2HB ARG 42 2HB ARG 42 -0.291 -4.041 7.315 327 1HG ARG 42 1HG ARG 42 1.708 -6.068 6.371 328 2HG ARG 42 2HG ARG 42 1.790 -5.643 8.070 329 1HD ARG 42 1HD ARG 42 -0.982 -5.961 7.533 330 2HD ARG 42 2HD ARG 42 -0.203 -7.273 6.671 331 HE ARG 42 HE ARG 42 -0.327 -6.921 9.579 332 1HH1 ARG 42 1HH1 ARG 42 1.421 -8.493 6.928 333 2HH1 ARG 42 2HH1 ARG 42 2.062 -9.751 7.932 334 1HH2 ARG 42 1HH2 ARG 42 1.518 -9.783 10.265 335 H ARG 43 H ARG 43 1.362 -2.312 3.562 336 HA ARG 43 HA ARG 43 4.018 -3.449 3.441 337 1HB ARG 43 1HB ARG 43 2.457 -2.915 1.373 338 2HB ARG 43 2HB ARG 43 2.964 -1.255 1.616 339 1HG ARG 43 1HG ARG 43 4.555 -2.068 0.069 340 2HG ARG 43 2HG ARG 43 5.403 -2.186 1.599 341 1HD ARG 43 1HD ARG 43 3.811 -4.607 1.013 342 2HD ARG 43 2HD ARG 43 5.004 -4.280 -0.228 343 HE ARG 43 HE ARG 43 6.261 -3.950 2.318 344 1HH1 ARG 43 1HH1 ARG 43 4.915 -6.531 0.297 345 2HH1 ARG 43 2HH1 ARG 43 5.948 -7.755 0.957 346 1HH2 ARG 43 1HH2 ARG 43 7.532 -7.164 2.656 347 H ASN 44 H ASN 44 5.905 -2.195 3.876 348 HA ASN 44 HA ASN 44 5.319 0.263 5.294 349 1HB ASN 44 1HB ASN 44 7.616 -0.009 6.235 350 2HB ASN 44 2HB ASN 44 6.659 -1.453 6.498 351 1HD2 ASN 44 1HD2 ASN 44 9.541 -1.118 6.386 352 2HD2 ASN 44 2HD2 ASN 44 10.144 -2.163 5.144 353 H VAL 45 H VAL 45 5.701 2.180 4.175 354 HA VAL 45 HA VAL 45 7.840 2.144 2.164 355 HB VAL 45 HB VAL 45 5.214 3.615 1.909 356 1HG1 VAL 45 1HG1 VAL 45 5.917 4.319 -0.168 357 2HG1 VAL 45 2HG1 VAL 45 7.469 4.293 0.704 358 3HG1 VAL 45 3HG1 VAL 45 7.035 2.949 -0.379 359 1HG2 VAL 45 1HG2 VAL 45 6.045 0.952 0.710 360 2HG2 VAL 45 2HG2 VAL 45 4.708 1.253 1.845 361 3HG2 VAL 45 3HG2 VAL 45 4.633 1.902 0.190 362 H ARG 46 H ARG 46 8.987 4.158 1.918 363 HA ARG 46 HA ARG 46 8.907 5.653 4.371 364 1HB ARG 46 1HB ARG 46 10.843 6.117 2.067 365 2HB ARG 46 2HB ARG 46 11.097 6.445 3.769 366 1HG ARG 46 1HG ARG 46 10.710 3.808 4.013 367 2HG ARG 46 2HG ARG 46 11.156 3.793 2.318 368 1HD ARG 46 1HD ARG 46 13.344 3.935 2.903 369 2HD ARG 46 2HD ARG 46 13.046 5.504 3.624 370 HE ARG 46 HE ARG 46 12.175 3.407 5.411 371 1HH1 ARG 46 1HH1 ARG 46 15.105 5.002 4.222 372 2HH1 ARG 46 2HH1 ARG 46 16.030 4.637 5.641 373 1HH2 ARG 46 1HH2 ARG 46 15.003 3.413 7.428 374 H GLY 47 H GLY 47 8.134 7.764 4.531 375 1HA GLY 47 1HA GLY 47 7.860 9.935 3.611 376 2HA GLY 47 2HA GLY 47 7.635 9.231 2.022 377 HA PRO 48 HA PRO 48 3.537 9.886 4.018 378 1HB PRO 48 1HB PRO 48 2.620 11.987 2.531 379 2HB PRO 48 2HB PRO 48 3.363 12.181 4.106 380 1HG PRO 48 1HG PRO 48 4.501 12.748 1.437 381 2HG PRO 48 2HG PRO 48 5.042 13.316 3.004 382 1HD PRO 48 1HD PRO 48 6.235 11.239 1.428 383 2HD PRO 48 2HD PRO 48 6.703 11.729 3.043 384 H VAL 49 H VAL 49 1.575 9.014 3.378 385 HA VAL 49 HA VAL 49 1.624 8.210 0.550 386 HB VAL 49 HB VAL 49 1.277 6.674 3.044 387 1HG1 VAL 49 1HG1 VAL 49 -1.044 6.679 2.221 388 2HG1 VAL 49 2HG1 VAL 49 -0.482 6.091 0.637 389 3HG1 VAL 49 3HG1 VAL 49 -0.301 5.067 2.081 390 1HG2 VAL 49 1HG2 VAL 49 2.541 5.107 1.960 391 2HG2 VAL 49 2HG2 VAL 49 1.802 5.440 0.375 392 3HG2 VAL 49 3HG2 VAL 49 3.030 6.547 1.035 393 H ARG 50 H ARG 50 -0.610 7.798 -0.352 394 HA ARG 50 HA ARG 50 -2.661 9.211 1.096 395 1HB ARG 50 1HB ARG 50 -2.085 9.905 -1.821 396 2HB ARG 50 2HB ARG 50 -3.195 10.719 -0.736 397 1HG ARG 50 1HG ARG 50 -1.399 11.646 0.580 398 2HG ARG 50 2HG ARG 50 -0.213 10.574 -0.138 399 1HD ARG 50 1HD ARG 50 -0.734 11.704 -2.398 400 2HD ARG 50 2HD ARG 50 -1.663 12.889 -1.501 401 HE ARG 50 HE ARG 50 1.249 12.670 -1.598 402 1HH1 ARG 50 1HH1 ARG 50 -1.473 13.841 0.346 403 2HH1 ARG 50 2HH1 ARG 50 -0.525 15.021 1.188 404 1HH2 ARG 50 1HH2 ARG 50 1.808 15.232 0.682 405 H VAL 51 H VAL 51 -4.642 8.174 0.834 406 HA VAL 51 HA VAL 51 -4.901 5.717 -0.212 407 HB VAL 51 HB VAL 51 -6.949 7.935 -0.076 408 1HG1 VAL 51 1HG1 VAL 51 -7.256 5.534 -1.424 409 2HG1 VAL 51 2HG1 VAL 51 -7.944 5.192 0.181 410 3HG1 VAL 51 3HG1 VAL 51 -8.567 6.552 -0.783 411 1HG2 VAL 51 1HG2 VAL 51 -5.576 6.869 1.989 412 2HG2 VAL 51 2HG2 VAL 51 -7.262 7.426 2.115 413 3HG2 VAL 51 3HG2 VAL 51 -6.911 5.696 1.879 414 H GLY 52 H GLY 52 -4.948 4.761 -2.193 415 1HA GLY 52 1HA GLY 52 -5.786 4.805 -4.447 416 2HA GLY 52 2HA GLY 52 -5.413 6.515 -4.527 417 H ASP 53 H ASP 53 -2.837 5.729 -2.824 418 HA ASP 53 HA ASP 53 -1.068 5.873 -4.878 419 1HB ASP 53 1HB ASP 53 -0.985 5.618 -2.059 420 2HB ASP 53 2HB ASP 53 -0.023 4.274 -2.643 421 HD2 ASP 53 HD2 ASP 53 0.930 8.030 -3.533 422 H ILE 54 H ILE 54 -0.243 4.345 -6.342 423 HA ILE 54 HA ILE 54 -0.907 1.536 -5.787 424 HB ILE 54 HB ILE 54 -0.632 2.881 -8.475 425 1HG1 ILE 54 1HG1 ILE 54 -2.581 3.812 -7.529 426 2HG1 ILE 54 2HG1 ILE 54 -3.132 2.525 -8.581 427 1HG2 ILE 54 1HG2 ILE 54 -1.678 0.781 -9.301 428 2HG2 ILE 54 2HG2 ILE 54 -0.059 0.549 -8.598 429 3HG2 ILE 54 3HG2 ILE 54 -1.506 0.097 -7.666 430 1HD1 ILE 54 1HD1 ILE 54 -4.369 1.991 -6.701 431 2HD1 ILE 54 2HD1 ILE 54 -2.891 1.079 -6.312 432 3HD1 ILE 54 3HD1 ILE 54 -3.165 2.680 -5.585 433 H LEU 55 H LEU 55 0.755 0.092 -5.690 434 HA LEU 55 HA LEU 55 3.329 0.964 -6.772 435 1HB LEU 55 1HB LEU 55 2.935 1.316 -4.201 436 2HB LEU 55 2HB LEU 55 3.214 -0.412 -4.118 437 HG LEU 55 HG LEU 55 5.222 1.155 -5.648 438 1HD1 LEU 55 1HD1 LEU 55 6.033 1.297 -2.925 439 2HD1 LEU 55 2HD1 LEU 55 5.753 2.624 -4.079 440 3HD1 LEU 55 3HD1 LEU 55 4.419 2.037 -3.057 441 1HD2 LEU 55 1HD2 LEU 55 5.380 -1.290 -5.299 442 2HD2 LEU 55 2HD2 LEU 55 6.770 -0.399 -4.632 443 3HD2 LEU 55 3HD2 LEU 55 5.499 -1.009 -3.545 444 H ILE 56 H ILE 56 4.190 -0.555 -8.086 445 HA ILE 56 HA ILE 56 2.829 -3.043 -8.360 446 HB ILE 56 HB ILE 56 5.359 -1.996 -9.635 447 1HG1 ILE 56 1HG1 ILE 56 2.986 -0.816 -9.892 448 2HG1 ILE 56 2HG1 ILE 56 4.116 -0.955 -11.225 449 1HG2 ILE 56 1HG2 ILE 56 3.625 -4.393 -10.274 450 2HG2 ILE 56 2HG2 ILE 56 4.814 -3.697 -11.402 451 3HG2 ILE 56 3HG2 ILE 56 5.353 -4.369 -9.845 452 1HD1 ILE 56 1HD1 ILE 56 2.102 -3.165 -10.729 453 2HD1 ILE 56 2HD1 ILE 56 1.619 -1.685 -11.591 454 3HD1 ILE 56 3HD1 ILE 56 2.915 -2.712 -12.246 455 H LEU 57 H LEU 57 3.413 -5.079 -7.658 456 HA LEU 57 HA LEU 57 5.797 -5.146 -5.940 457 1HB LEU 57 1HB LEU 57 3.109 -5.621 -5.296 458 2HB LEU 57 2HB LEU 57 3.851 -7.207 -5.379 459 HG LEU 57 HG LEU 57 5.092 -4.972 -3.774 460 1HD1 LEU 57 1HD1 LEU 57 2.910 -6.884 -2.910 461 2HD1 LEU 57 2HD1 LEU 57 3.949 -5.984 -1.779 462 3HD1 LEU 57 3HD1 LEU 57 2.879 -5.105 -2.898 463 1HD2 LEU 57 1HD2 LEU 57 5.414 -7.961 -3.915 464 2HD2 LEU 57 2HD2 LEU 57 6.647 -6.681 -4.005 465 3HD2 LEU 57 3HD2 LEU 57 5.868 -7.057 -2.450 466 H ARG 58 H ARG 58 6.987 -7.200 -5.899 467 HA ARG 58 HA ARG 58 7.160 -8.220 -8.534 468 1HB ARG 58 1HB ARG 58 8.600 -9.168 -6.006 469 2HB ARG 58 2HB ARG 58 9.089 -9.503 -7.657 470 1HG ARG 58 1HG ARG 58 9.847 -7.319 -8.033 471 2HG ARG 58 2HG ARG 58 8.741 -6.614 -6.872 472 1HD ARG 58 1HD ARG 58 10.397 -6.616 -5.320 473 2HD ARG 58 2HD ARG 58 10.427 -8.367 -5.372 474 HE ARG 58 HE ARG 58 11.881 -7.157 -7.600 475 1HH1 ARG 58 1HH1 ARG 58 12.142 -8.158 -4.211 476 2HH1 ARG 58 2HH1 ARG 58 13.864 -8.330 -4.265 477 1HH2 ARG 58 1HH2 ARG 58 15.026 -7.869 -6.310 478 H GLU 59 H GLU 59 5.561 -9.095 -5.538 479 HA GLU 59 HA GLU 59 3.879 -10.877 -6.460 480 1HB GLU 59 1HB GLU 59 6.557 -12.125 -6.418 481 2HB GLU 59 2HB GLU 59 5.358 -13.056 -5.542 482 1HG GLU 59 1HG GLU 59 4.036 -13.424 -7.446 483 2HG GLU 59 2HG GLU 59 4.586 -11.965 -8.246 484 HE2 GLU 59 HE2 GLU 59 6.535 -15.360 -8.848 485 H THR 60 H THR 60 6.123 -9.883 -3.959 486 HA THR 60 HA THR 60 6.040 -9.907 -1.729 487 HB THR 60 HB THR 60 4.090 -8.416 -2.414 488 HG1 THR 60 HG1 THR 60 3.162 -8.705 -0.180 489 1HG2 THR 60 1HG2 THR 60 1.834 -9.538 -1.602 490 2HG2 THR 60 2HG2 THR 60 2.376 -9.824 -3.274 491 3HG2 THR 60 3HG2 THR 60 2.646 -11.064 -2.026 492 H GLU 61 H GLU 61 6.298 -12.496 -2.931 493 HA GLU 61 HA GLU 61 4.671 -14.439 -2.209 494 1HB GLU 61 1HB GLU 61 6.871 -15.758 -1.624 495 2HB GLU 61 2HB GLU 61 6.638 -15.150 -3.250 496 1HG GLU 61 1HG GLU 61 8.546 -13.944 -3.067 497 2HG GLU 61 2HG GLU 61 7.828 -13.013 -1.768 498 HE2 GLU 61 HE2 GLU 61 10.047 -16.253 -0.978 499 H ARG 62 H ARG 62 7.141 -12.984 0.031 500 HA ARG 62 HA ARG 62 6.962 -12.571 2.178 501 1HB ARG 62 1HB ARG 62 4.297 -12.928 1.682 502 2HB ARG 62 2HB ARG 62 4.572 -14.313 2.720 503 1HG ARG 62 1HG ARG 62 5.357 -12.927 4.537 504 2HG ARG 62 2HG ARG 62 5.514 -11.524 3.500 505 1HD ARG 62 1HD ARG 62 3.479 -11.204 4.755 506 2HD ARG 62 2HD ARG 62 2.982 -11.619 3.127 507 HE ARG 62 HE ARG 62 2.177 -13.702 3.900 508 1HH1 ARG 62 1HH1 ARG 62 4.006 -12.084 6.467 509 2HH1 ARG 62 2HH1 ARG 62 3.482 -13.179 7.702 510 1HH2 ARG 62 1HH2 ARG 62 1.999 -14.972 7.128 511 H GLU 63 H GLU 63 5.479 -15.874 1.721 512 HA GLU 63 HA GLU 63 7.158 -16.959 3.716 513 1HB GLU 63 1HB GLU 63 6.076 -19.097 3.138 514 2HB GLU 63 2HB GLU 63 4.880 -17.824 3.290 515 1HG GLU 63 1HG GLU 63 4.522 -17.688 0.953 516 2HG GLU 63 2HG GLU 63 6.078 -18.398 0.568 517 HE2 GLU 63 HE2 GLU 63 3.108 -19.842 2.334 518 H ALA 64 H ALA 64 8.283 -19.249 3.018 519 HA ALA 64 HA ALA 64 10.595 -18.663 1.755 520 1HB ALA 64 1HB ALA 64 10.989 -20.999 1.722 521 2HB ALA 64 2HB ALA 64 9.844 -20.759 3.063 522 3HB ALA 64 3HB ALA 64 9.263 -21.374 1.497 523 H ARG 65 H ARG 65 11.176 -18.085 -0.277 524 HA ARG 65 HA ARG 65 9.420 -17.662 -2.258 525 1HB ARG 65 1HB ARG 65 12.018 -17.128 -1.990 526 2HB ARG 65 2HB ARG 65 12.229 -18.577 -2.951 527 1HG ARG 65 1HG ARG 65 10.192 -17.132 -4.287 528 2HG ARG 65 2HG ARG 65 11.345 -15.909 -3.793 529 1HD ARG 65 1HD ARG 65 12.918 -18.079 -4.763 530 2HD ARG 65 2HD ARG 65 11.594 -17.917 -5.900 531 HE ARG 65 HE ARG 65 12.551 -15.297 -5.355 532 1HH1 ARG 65 1HH1 ARG 65 13.712 -18.272 -6.892 533 2HH1 ARG 65 2HH1 ARG 65 14.786 -17.444 -7.969 534 1HH2 ARG 65 1HH2 ARG 65 14.920 -15.053 -7.885 535 H GLU 66 H GLU 66 11.382 -20.633 -1.629 536 HA GLU 66 HA GLU 66 9.445 -22.148 -3.087 537 1HB GLU 66 1HB GLU 66 11.557 -21.252 -4.584 538 2HB GLU 66 2HB GLU 66 12.230 -22.752 -3.978 539 1HG GLU 66 1HG GLU 66 10.267 -24.011 -4.829 540 2HG GLU 66 2HG GLU 66 9.519 -22.520 -5.369 541 HE2 GLU 66 HE2 GLU 66 9.677 -22.656 -7.498 542 H ILE 67 H ILE 67 12.864 -22.400 -1.847 543 HA ILE 67 HA ILE 67 13.823 -23.868 -0.499 544 HB ILE 67 HB ILE 67 11.780 -22.658 0.862 545 1HG1 ILE 67 1HG1 ILE 67 13.012 -23.310 2.878 546 2HG1 ILE 67 2HG1 ILE 67 13.854 -24.563 1.987 547 1HG2 ILE 67 1HG2 ILE 67 10.502 -24.147 2.075 548 2HG2 ILE 67 2HG2 ILE 67 10.558 -24.934 0.480 549 3HG2 ILE 67 3HG2 ILE 67 11.615 -25.506 1.792 550 1HD1 ILE 67 1HD1 ILE 67 14.702 -21.916 2.289 551 2HD1 ILE 67 2HD1 ILE 67 15.332 -23.081 1.100 552 3HD1 ILE 67 3HD1 ILE 67 14.036 -21.952 0.638 553 H LYS 68 H LYS 68 13.564 -26.194 0.578 554 HA LYS 68 HA LYS 68 11.677 -27.934 -0.561 555 1HB LYS 68 1HB LYS 68 13.026 -29.135 -2.162 556 2HB LYS 68 2HB LYS 68 12.920 -27.452 -2.636 557 1HG LYS 68 1HG LYS 68 15.177 -27.264 -2.588 558 2HG LYS 68 2HG LYS 68 15.202 -27.715 -0.894 559 1HD LYS 68 1HD LYS 68 14.866 -30.185 -1.886 560 2HD LYS 68 2HD LYS 68 15.545 -29.467 -3.332 561 1HE LYS 68 1HE LYS 68 17.024 -28.759 -0.855 562 2HE LYS 68 2HE LYS 68 17.018 -30.478 -1.197 563 1HZ LYS 68 1HZ LYS 68 18.823 -29.039 -2.298 564 2HZ LYS 68 2HZ LYS 68 18.071 -30.124 -3.251 565 H SER 69 H SER 69 12.340 -27.483 2.032 566 HA SER 69 HA SER 69 14.473 -29.110 2.879 567 1HB SER 69 1HB SER 69 13.504 -27.148 4.150 568 2HB SER 69 2HB SER 69 12.078 -28.112 4.482 569 HG SER 69 HG SER 69 13.335 -29.584 5.697 570 H ARG 70 H ARG 70 13.961 -31.129 1.687 571 HA ARG 70 HA ARG 70 11.696 -32.528 2.850 572 1HB ARG 70 1HB ARG 70 12.544 -32.247 0.162 573 2HB ARG 70 2HB ARG 70 13.007 -33.882 0.587 574 1HG ARG 70 1HG ARG 70 10.471 -33.759 1.681 575 2HG ARG 70 2HG ARG 70 10.286 -32.697 0.299 576 1HD ARG 70 1HD ARG 70 10.789 -34.411 -1.262 577 2HD ARG 70 2HD ARG 70 11.648 -35.378 -0.079 578 HE ARG 70 HE ARG 70 8.941 -35.137 0.792 579 1HH1 ARG 70 1HH1 ARG 70 10.790 -36.663 -1.817 580 2HH1 ARG 70 2HH1 ARG 70 9.649 -37.947 -2.042 581 1HH2 ARG 70 1HH2 ARG 70 7.684 -38.025 -0.671 582 H ARG 71 H ARG 71 12.013 -34.606 3.822 583 HA ARG 71 HA ARG 71 14.788 -35.117 4.447 584 1HB ARG 71 1HB ARG 71 13.860 -36.553 6.281 585 2HB ARG 71 2HB ARG 71 13.249 -34.911 6.365 586 1HG ARG 71 1HG ARG 71 11.434 -36.285 4.664 587 2HG ARG 71 2HG ARG 71 11.777 -37.409 5.963 588 1HD ARG 71 1HD ARG 71 11.226 -34.543 6.720 589 2HD ARG 71 2HD ARG 71 9.868 -35.512 6.184 590 HE ARG 71 HE ARG 71 11.033 -37.189 8.002 591 1HH1 ARG 71 1HH1 ARG 71 10.169 -33.759 8.207 592 2HH1 ARG 71 2HH1 ARG 71 9.899 -33.802 9.917 593 1HH2 ARG 71 1HH2 ARG 71 10.204 -35.862 11.103 Start of MODEL 6 1 1H MET 1 1H MET 1 2.146 -4.554 -26.288 2 HA MET 1 HA MET 1 0.521 -5.389 -24.781 3 1HB MET 1 1HB MET 1 -0.242 -7.773 -25.043 4 2HB MET 1 2HB MET 1 -0.668 -6.810 -26.443 5 1HG MET 1 1HG MET 1 2.016 -8.120 -26.586 6 2HG MET 1 2HG MET 1 0.653 -9.222 -26.579 7 1HE MET 1 1HE MET 1 0.970 -10.149 -28.851 8 2HE MET 1 2HE MET 1 -0.752 -9.748 -28.644 9 3HE MET 1 3HE MET 1 0.063 -9.404 -30.189 10 H ALA 2 H ALA 2 3.233 -4.894 -24.610 11 HA ALA 2 HA ALA 2 4.789 -7.160 -24.036 12 1HB ALA 2 1HB ALA 2 5.160 -4.415 -24.311 13 2HB ALA 2 2HB ALA 2 5.498 -4.706 -22.588 14 3HB ALA 2 3HB ALA 2 6.405 -5.596 -23.835 15 H GLU 3 H GLU 3 3.603 -4.660 -21.679 16 HA GLU 3 HA GLU 3 2.677 -4.876 -19.710 17 1HB GLU 3 1HB GLU 3 2.665 -7.890 -19.713 18 2HB GLU 3 2HB GLU 3 1.477 -6.778 -19.060 19 1HG GLU 3 1HG GLU 3 1.407 -6.141 -21.761 20 2HG GLU 3 2HG GLU 3 1.739 -7.860 -21.816 21 HE2 GLU 3 HE2 GLU 3 -1.204 -5.805 -20.821 22 H ASP 4 H ASP 4 3.839 -4.507 -17.864 23 HA ASP 4 HA ASP 4 5.877 -6.427 -17.171 24 1HB ASP 4 1HB ASP 4 6.413 -3.797 -18.293 25 2HB ASP 4 2HB ASP 4 6.979 -3.834 -16.635 26 HD2 ASP 4 HD2 ASP 4 7.046 -5.937 -19.372 27 H GLU 5 H GLU 5 3.125 -5.208 -16.288 28 HA GLU 5 HA GLU 5 3.938 -4.047 -13.761 29 1HB GLU 5 1HB GLU 5 1.045 -4.287 -14.216 30 2HB GLU 5 2HB GLU 5 1.999 -2.866 -13.840 31 1HG GLU 5 1HG GLU 5 2.822 -3.044 -16.339 32 2HG GLU 5 2HG GLU 5 1.432 -4.085 -16.563 33 HE2 GLU 5 HE2 GLU 5 1.439 -0.506 -15.114 34 H GLY 6 H GLY 6 4.541 -5.707 -12.378 35 1HA GLY 6 1HA GLY 6 3.491 -8.285 -12.360 36 2HA GLY 6 2HA GLY 6 4.326 -7.496 -11.037 37 H TYR 7 H TYR 7 3.184 -7.276 -9.167 38 HA TYR 7 HA TYR 7 0.252 -7.280 -9.407 39 1HB TYR 7 1HB TYR 7 2.016 -7.899 -6.973 40 2HB TYR 7 2HB TYR 7 0.354 -8.396 -7.219 41 HD1 TYR 7 HD1 TYR 7 -0.180 -10.424 -8.375 42 HD2 TYR 7 HD2 TYR 7 3.854 -9.001 -8.296 43 HE1 TYR 7 HE1 TYR 7 0.631 -12.649 -9.300 44 HE2 TYR 7 HE2 TYR 7 4.652 -11.231 -9.222 45 HH TYR 7 HH TYR 7 2.688 -13.964 -9.277 46 HA PRO 8 HA PRO 8 1.003 -3.185 -7.847 47 1HB PRO 8 1HB PRO 8 -1.225 -2.030 -8.930 48 2HB PRO 8 2HB PRO 8 0.318 -2.101 -9.759 49 1HG PRO 8 1HG PRO 8 -2.121 -3.699 -10.245 50 2HG PRO 8 2HG PRO 8 -0.746 -3.447 -11.300 51 1HD PRO 8 1HD PRO 8 -1.315 -5.794 -9.752 52 2HD PRO 8 2HD PRO 8 0.118 -5.497 -10.717 53 H ALA 9 H ALA 9 0.368 -2.101 -6.011 54 HA ALA 9 HA ALA 9 -2.101 -3.191 -4.853 55 1HB ALA 9 1HB ALA 9 -1.048 -3.795 -2.921 56 2HB ALA 9 2HB ALA 9 0.373 -3.914 -3.985 57 3HB ALA 9 3HB ALA 9 0.113 -2.449 -3.009 58 H GLU 10 H GLU 10 -3.491 -1.661 -4.033 59 HA GLU 10 HA GLU 10 -2.460 1.066 -4.097 60 1HB GLU 10 1HB GLU 10 -4.407 0.245 -5.672 61 2HB GLU 10 2HB GLU 10 -5.404 0.369 -4.235 62 1HG GLU 10 1HG GLU 10 -4.135 2.779 -4.088 63 2HG GLU 10 2HG GLU 10 -4.078 2.542 -5.823 64 HE2 GLU 10 HE2 GLU 10 -7.215 3.396 -3.703 65 H VAL 11 H VAL 11 -2.544 2.299 -2.233 66 HA VAL 11 HA VAL 11 -2.849 1.100 0.215 67 HB VAL 11 HB VAL 11 -3.084 3.982 -0.653 68 1HG1 VAL 11 1HG1 VAL 11 -2.745 2.913 2.170 69 2HG1 VAL 11 2HG1 VAL 11 -2.740 4.623 1.676 70 3HG1 VAL 11 3HG1 VAL 11 -4.225 3.655 1.514 71 1HG2 VAL 11 1HG2 VAL 11 -0.801 2.383 0.554 72 2HG2 VAL 11 2HG2 VAL 11 -0.919 2.967 -1.122 73 3HG2 VAL 11 3HG2 VAL 11 -0.770 4.130 0.218 74 H ILE 12 H ILE 12 -4.540 0.581 1.539 75 HA ILE 12 HA ILE 12 -7.189 1.423 0.589 76 HB ILE 12 HB ILE 12 -8.022 -0.621 1.683 77 1HG1 ILE 12 1HG1 ILE 12 -5.227 -1.689 1.867 78 2HG1 ILE 12 2HG1 ILE 12 -5.835 -0.692 3.174 79 1HG2 ILE 12 1HG2 ILE 12 -6.891 -0.334 -0.786 80 2HG2 ILE 12 2HG2 ILE 12 -6.010 -1.744 -0.150 81 3HG2 ILE 12 3HG2 ILE 12 -7.789 -1.766 -0.229 82 1HD1 ILE 12 1HD1 ILE 12 -7.074 -3.266 2.107 83 2HD1 ILE 12 2HD1 ILE 12 -6.351 -3.000 3.712 84 3HD1 ILE 12 3HD1 ILE 12 -7.882 -2.201 3.282 85 H GLU 13 H GLU 13 -4.894 1.226 3.291 86 HA GLU 13 HA GLU 13 -6.365 3.225 4.642 87 1HB GLU 13 1HB GLU 13 -7.694 1.315 5.399 88 2HB GLU 13 2HB GLU 13 -6.251 0.430 5.855 89 1HG GLU 13 1HG GLU 13 -5.709 2.273 7.514 90 2HG GLU 13 2HG GLU 13 -7.234 3.036 7.113 91 HE2 GLU 13 HE2 GLU 13 -5.825 0.691 9.013 92 H ILE 14 H ILE 14 -5.057 4.308 6.206 93 HA ILE 14 HA ILE 14 -2.256 3.585 6.012 94 HB ILE 14 HB ILE 14 -3.629 6.010 7.177 95 1HG1 ILE 14 1HG1 ILE 14 -2.151 5.750 4.544 96 2HG1 ILE 14 2HG1 ILE 14 -3.893 5.639 4.694 97 1HG2 ILE 14 1HG2 ILE 14 -0.917 5.058 7.405 98 2HG2 ILE 14 2HG2 ILE 14 -0.960 6.586 6.494 99 3HG2 ILE 14 3HG2 ILE 14 -1.680 6.499 8.119 100 1HD1 ILE 14 1HD1 ILE 14 -3.363 7.955 6.126 101 2HD1 ILE 14 2HD1 ILE 14 -2.140 8.020 4.834 102 3HD1 ILE 14 3HD1 ILE 14 -3.867 7.904 4.420 103 H ILE 15 H ILE 15 -1.073 2.664 7.627 104 HA ILE 15 HA ILE 15 -2.541 1.844 9.973 105 HB ILE 15 HB ILE 15 0.273 1.247 9.052 106 1HG1 ILE 15 1HG1 ILE 15 -2.157 -0.549 8.891 107 2HG1 ILE 15 2HG1 ILE 15 -1.655 0.485 7.569 108 1HG2 ILE 15 1HG2 ILE 15 -1.355 -0.175 11.170 109 2HG2 ILE 15 2HG2 ILE 15 0.337 -0.475 10.708 110 3HG2 ILE 15 3HG2 ILE 15 -0.108 1.047 11.517 111 1HD1 ILE 15 1HD1 ILE 15 0.731 -0.778 8.334 112 2HD1 ILE 15 2HD1 ILE 15 -0.498 -2.055 8.486 113 3HD1 ILE 15 3HD1 ILE 15 -0.281 -1.208 6.935 114 H GLY 16 H GLY 16 0.882 2.971 9.779 115 1HA GLY 16 1HA GLY 16 0.637 5.422 11.013 116 2HA GLY 16 2HA GLY 16 0.687 4.253 12.318 117 H ARG 17 H ARG 17 2.675 6.362 11.207 118 HA ARG 17 HA ARG 17 4.804 4.819 10.191 119 1HB ARG 17 1HB ARG 17 6.119 6.943 10.478 120 2HB ARG 17 2HB ARG 17 4.607 7.206 9.630 121 1HG ARG 17 1HG ARG 17 3.811 7.557 12.259 122 2HG ARG 17 2HG ARG 17 5.457 8.154 12.321 123 1HD ARG 17 1HD ARG 17 4.770 9.465 10.107 124 2HD ARG 17 2HD ARG 17 3.135 9.184 10.668 125 HE ARG 17 HE ARG 17 5.057 11.035 11.816 126 1HH1 ARG 17 1HH1 ARG 17 2.299 8.966 12.635 127 2HH1 ARG 17 2HH1 ARG 17 1.850 9.903 14.020 128 1HH2 ARG 17 1HH2 ARG 17 3.136 11.842 14.595 129 H THR 18 H THR 18 6.906 4.447 11.292 130 HA THR 18 HA THR 18 6.682 4.498 14.228 131 HB THR 18 HB THR 18 6.258 2.204 13.424 132 HG1 THR 18 HG1 THR 18 7.632 2.308 15.263 133 1HG2 THR 18 1HG2 THR 18 7.373 2.300 11.198 134 2HG2 THR 18 2HG2 THR 18 8.948 2.536 11.993 135 3HG2 THR 18 3HG2 THR 18 8.077 0.995 12.183 136 H GLY 19 H GLY 19 7.873 6.439 12.301 137 1HA GLY 19 1HA GLY 19 10.734 6.062 12.901 138 2HA GLY 19 2HA GLY 19 10.057 7.096 11.658 139 H THR 20 H THR 20 11.846 8.365 13.176 140 HA THR 20 HA THR 20 10.821 9.435 15.594 141 HB THR 20 HB THR 20 13.129 10.002 13.698 142 HG1 THR 20 HG1 THR 20 14.186 9.217 15.635 143 1HG2 THR 20 1HG2 THR 20 12.455 11.517 16.275 144 2HG2 THR 20 2HG2 THR 20 13.965 11.664 15.346 145 3HG2 THR 20 3HG2 THR 20 12.430 12.228 14.644 146 H THR 21 H THR 21 11.300 10.982 12.342 147 HA THR 21 HA THR 21 9.240 12.916 13.140 148 HB THR 21 HB THR 21 11.318 13.021 10.892 149 HG1 THR 21 HG1 THR 21 11.181 14.313 13.518 150 1HG2 THR 21 1HG2 THR 21 10.299 14.990 10.347 151 2HG2 THR 21 2HG2 THR 21 9.080 14.725 11.616 152 3HG2 THR 21 3HG2 THR 21 10.596 15.572 12.002 153 H GLY 22 H GLY 22 9.980 10.260 10.951 154 1HA GLY 22 1HA GLY 22 7.747 9.301 10.207 155 2HA GLY 22 2HA GLY 22 7.521 10.855 9.430 156 H ASP 23 H ASP 23 10.225 8.434 9.754 157 HA ASP 23 HA ASP 23 10.870 8.973 6.992 158 1HB ASP 23 1HB ASP 23 12.369 6.989 8.704 159 2HB ASP 23 2HB ASP 23 12.988 8.041 7.448 160 HD2 ASP 23 HD2 ASP 23 13.922 9.231 10.837 161 H VAL 24 H VAL 24 9.771 6.407 9.261 162 HA VAL 24 HA VAL 24 9.419 4.609 6.963 163 HB VAL 24 HB VAL 24 9.211 2.954 9.033 164 1HG1 VAL 24 1HG1 VAL 24 10.776 2.381 7.431 165 2HG1 VAL 24 2HG1 VAL 24 11.615 3.948 7.530 166 3HG1 VAL 24 3HG1 VAL 24 11.826 2.742 8.823 167 1HG2 VAL 24 1HG2 VAL 24 9.485 4.740 10.720 168 2HG2 VAL 24 2HG2 VAL 24 10.773 3.516 10.820 169 3HG2 VAL 24 3HG2 VAL 24 11.103 5.093 10.067 170 H THR 25 H THR 25 7.366 4.885 6.213 171 HA THR 25 HA THR 25 5.238 4.952 8.252 172 HB THR 25 HB THR 25 5.020 6.126 5.452 173 HG1 THR 25 HG1 THR 25 6.128 7.171 7.961 174 1HG2 THR 25 1HG2 THR 25 2.980 6.705 6.315 175 2HG2 THR 25 2HG2 THR 25 3.439 6.122 7.934 176 3HG2 THR 25 3HG2 THR 25 3.858 7.778 7.433 177 H GLN 26 H GLN 26 4.450 2.936 8.427 178 HA GLN 26 HA GLN 26 4.313 1.352 6.023 179 1HB GLN 26 1HB GLN 26 3.578 0.598 8.886 180 2HB GLN 26 2HB GLN 26 3.758 -0.510 7.539 181 1HG GLN 26 1HG GLN 26 6.119 -0.178 7.416 182 2HG GLN 26 2HG GLN 26 6.052 1.316 8.330 183 1HE2 GLN 26 1HE2 GLN 26 5.369 -2.159 8.556 184 2HE2 GLN 26 2HE2 GLN 26 5.801 -2.367 10.221 185 H VAL 27 H VAL 27 2.356 0.529 5.124 186 HA VAL 27 HA VAL 27 -0.132 1.337 6.367 187 HB VAL 27 HB VAL 27 -0.917 2.385 4.256 188 1HG1 VAL 27 1HG1 VAL 27 1.448 3.991 5.161 189 2HG1 VAL 27 2HG1 VAL 27 -0.238 4.493 4.889 190 3HG1 VAL 27 3HG1 VAL 27 0.191 3.566 6.347 191 1HG2 VAL 27 1HG2 VAL 27 1.889 2.893 3.382 192 2HG2 VAL 27 2HG2 VAL 27 1.202 1.289 3.031 193 3HG2 VAL 27 3HG2 VAL 27 0.393 2.755 2.426 194 H LYS 28 H LYS 28 -2.030 0.432 4.959 195 HA LYS 28 HA LYS 28 -1.170 -2.227 4.089 196 1HB LYS 28 1HB LYS 28 -3.602 -1.145 5.441 197 2HB LYS 28 2HB LYS 28 -3.821 -2.498 4.350 198 1HG LYS 28 1HG LYS 28 -1.927 -3.693 5.590 199 2HG LYS 28 2HG LYS 28 -1.942 -2.385 6.754 200 1HD LYS 28 1HD LYS 28 -4.632 -3.523 6.208 201 2HD LYS 28 2HD LYS 28 -3.510 -4.675 6.902 202 1HE LYS 28 1HE LYS 28 -3.605 -3.677 8.947 203 2HE LYS 28 2HE LYS 28 -3.301 -2.091 8.268 204 1HZ LYS 28 1HZ LYS 28 -5.833 -2.503 7.489 205 2HZ LYS 28 2HZ LYS 28 -5.847 -3.334 8.891 206 H VAL 29 H VAL 29 -1.503 -2.938 2.013 207 HA VAL 29 HA VAL 29 -3.017 -1.126 0.267 208 HB VAL 29 HB VAL 29 -1.336 -1.627 -1.492 209 1HG1 VAL 29 1HG1 VAL 29 -0.883 0.017 0.923 210 2HG1 VAL 29 2HG1 VAL 29 0.566 -0.290 -0.063 211 3HG1 VAL 29 3HG1 VAL 29 -0.866 0.470 -0.798 212 1HG2 VAL 29 1HG2 VAL 29 -0.485 -3.694 -0.119 213 2HG2 VAL 29 2HG2 VAL 29 0.655 -2.749 -1.108 214 3HG2 VAL 29 3HG2 VAL 29 0.584 -2.497 0.652 215 H ARG 30 H ARG 30 -4.237 -2.143 -1.381 216 HA ARG 30 HA ARG 30 -4.448 -5.013 -0.961 217 1HB ARG 30 1HB ARG 30 -6.520 -3.797 -0.416 218 2HB ARG 30 2HB ARG 30 -6.499 -2.977 -1.965 219 1HG ARG 30 1HG ARG 30 -6.799 -5.140 -3.146 220 2HG ARG 30 2HG ARG 30 -6.731 -6.006 -1.624 221 1HD ARG 30 1HD ARG 30 -9.020 -5.816 -1.696 222 2HD ARG 30 2HD ARG 30 -8.722 -4.219 -1.038 223 HE ARG 30 HE ARG 30 -8.493 -3.982 -3.851 224 1HH1 ARG 30 1HH1 ARG 30 -11.008 -4.790 -1.490 225 2HH1 ARG 30 2HH1 ARG 30 -12.302 -4.207 -2.483 226 1HH2 ARG 30 1HH2 ARG 30 -11.803 -3.285 -4.639 227 H ILE 31 H ILE 31 -4.724 -6.397 -2.873 228 HA ILE 31 HA ILE 31 -3.194 -5.482 -5.086 229 HB ILE 31 HB ILE 31 -4.729 -8.019 -4.530 230 1HG1 ILE 31 1HG1 ILE 31 -1.866 -7.153 -4.216 231 2HG1 ILE 31 2HG1 ILE 31 -2.915 -7.954 -3.064 232 1HG2 ILE 31 1HG2 ILE 31 -4.593 -7.534 -6.972 233 2HG2 ILE 31 2HG2 ILE 31 -2.820 -7.508 -6.825 234 3HG2 ILE 31 3HG2 ILE 31 -3.719 -9.002 -6.472 235 1HD1 ILE 31 1HD1 ILE 31 -1.474 -9.130 -5.450 236 2HD1 ILE 31 2HD1 ILE 31 -1.534 -9.718 -3.771 237 3HD1 ILE 31 3HD1 ILE 31 -2.948 -9.916 -4.835 238 H LEU 32 H LEU 32 -3.860 -4.442 -6.889 239 HA LEU 32 HA LEU 32 -6.651 -3.852 -7.147 240 1HB LEU 32 1HB LEU 32 -4.141 -3.046 -8.580 241 2HB LEU 32 2HB LEU 32 -5.712 -2.683 -9.266 242 HG LEU 32 HG LEU 32 -4.919 -1.842 -6.472 243 1HD1 LEU 32 1HD1 LEU 32 -4.875 0.440 -8.047 244 2HD1 LEU 32 2HD1 LEU 32 -3.466 -0.420 -7.379 245 3HD1 LEU 32 3HD1 LEU 32 -4.024 -0.776 -9.031 246 1HD2 LEU 32 1HD2 LEU 32 -6.758 -0.293 -6.634 247 2HD2 LEU 32 2HD2 LEU 32 -7.066 -0.770 -8.321 248 3HD2 LEU 32 3HD2 LEU 32 -7.341 -1.934 -7.003 249 H GLU 33 H GLU 33 -4.314 -6.144 -8.483 250 HA GLU 33 HA GLU 33 -6.391 -7.646 -9.601 251 1HB GLU 33 1HB GLU 33 -5.674 -5.606 -11.296 252 2HB GLU 33 2HB GLU 33 -4.568 -6.859 -11.825 253 1HG GLU 33 1HG GLU 33 -6.348 -8.369 -12.372 254 2HG GLU 33 2HG GLU 33 -7.521 -7.466 -11.435 255 HE2 GLU 33 HE2 GLU 33 -8.832 -7.022 -13.074 256 H GLY 34 H GLY 34 -5.387 -9.584 -10.928 257 1HA GLY 34 1HA GLY 34 -2.943 -10.433 -11.220 258 2HA GLY 34 2HA GLY 34 -2.975 -10.403 -9.468 259 H ARG 35 H ARG 35 -3.837 -12.135 -8.362 260 HA ARG 35 HA ARG 35 -5.349 -14.006 -10.004 261 1HB ARG 35 1HB ARG 35 -2.949 -14.385 -8.380 262 2HB ARG 35 2HB ARG 35 -4.239 -15.401 -7.767 263 1HG ARG 35 1HG ARG 35 -3.757 -16.862 -9.436 264 2HG ARG 35 2HG ARG 35 -4.449 -15.703 -10.552 265 1HD ARG 35 1HD ARG 35 -2.306 -14.736 -11.061 266 2HD ARG 35 2HD ARG 35 -1.547 -15.474 -9.664 267 HE ARG 35 HE ARG 35 -1.243 -17.435 -10.899 268 1HH1 ARG 35 1HH1 ARG 35 -3.720 -15.468 -12.496 269 2HH1 ARG 35 2HH1 ARG 35 -3.826 -16.504 -13.881 270 1HH2 ARG 35 1HH2 ARG 35 -2.441 -18.457 -13.995 271 H ASP 36 H ASP 36 -4.931 -12.316 -6.894 272 HA ASP 36 HA ASP 36 -7.383 -13.556 -5.946 273 1HB ASP 36 1HB ASP 36 -4.910 -12.613 -4.683 274 2HB ASP 36 2HB ASP 36 -6.305 -11.865 -3.934 275 HD2 ASP 36 HD2 ASP 36 -5.652 -15.783 -3.843 276 H LYS 37 H LYS 37 -5.735 -10.528 -6.872 277 HA LYS 37 HA LYS 37 -6.392 -8.370 -6.708 278 1HB LYS 37 1HB LYS 37 -7.958 -7.895 -8.409 279 2HB LYS 37 2HB LYS 37 -7.163 -9.380 -8.893 280 1HG LYS 37 1HG LYS 37 -9.186 -10.528 -7.570 281 2HG LYS 37 2HG LYS 37 -9.973 -8.987 -7.849 282 1HD LYS 37 1HD LYS 37 -8.597 -10.293 -10.192 283 2HD LYS 37 2HD LYS 37 -10.102 -11.000 -9.639 284 1HE LYS 37 1HE LYS 37 -10.458 -8.137 -9.722 285 2HE LYS 37 2HE LYS 37 -9.725 -8.626 -11.236 286 1HZ LYS 37 1HZ LYS 37 -11.936 -10.277 -10.277 287 2HZ LYS 37 2HZ LYS 37 -12.330 -8.795 -10.828 288 H GLY 38 H GLY 38 -6.674 -8.001 -4.464 289 1HA GLY 38 1HA GLY 38 -8.703 -6.783 -3.437 290 2HA GLY 38 2HA GLY 38 -9.399 -8.391 -3.426 291 H ARG 39 H ARG 39 -6.318 -9.277 -3.103 292 HA ARG 39 HA ARG 39 -6.540 -9.802 -0.407 293 1HB ARG 39 1HB ARG 39 -4.908 -10.654 -2.462 294 2HB ARG 39 2HB ARG 39 -3.775 -9.677 -1.549 295 1HG ARG 39 1HG ARG 39 -4.799 -11.004 0.539 296 2HG ARG 39 2HG ARG 39 -5.252 -12.170 -0.689 297 1HD ARG 39 1HD ARG 39 -2.710 -11.871 -1.473 298 2HD ARG 39 2HD ARG 39 -2.483 -11.300 0.168 299 HE ARG 39 HE ARG 39 -2.970 -13.470 0.998 300 1HH1 ARG 39 1HH1 ARG 39 -3.506 -13.325 -2.502 301 2HH1 ARG 39 2HH1 ARG 39 -3.616 -15.044 -2.681 302 1HH2 ARG 39 1HH2 ARG 39 -3.384 -16.444 -0.749 303 H VAL 40 H VAL 40 -5.968 -8.637 1.429 304 HA VAL 40 HA VAL 40 -4.721 -6.035 0.950 305 HB VAL 40 HB VAL 40 -5.764 -5.304 2.919 306 1HG1 VAL 40 1HG1 VAL 40 -7.712 -7.203 1.567 307 2HG1 VAL 40 2HG1 VAL 40 -8.139 -5.789 2.561 308 3HG1 VAL 40 3HG1 VAL 40 -7.296 -5.563 1.010 309 1HG2 VAL 40 1HG2 VAL 40 -5.297 -7.001 4.497 310 2HG2 VAL 40 2HG2 VAL 40 -7.072 -6.940 4.387 311 3HG2 VAL 40 3HG2 VAL 40 -6.173 -8.233 3.558 312 H ILE 41 H ILE 41 -2.746 -5.495 1.830 313 HA ILE 41 HA ILE 41 -1.590 -7.375 3.740 314 HB ILE 41 HB ILE 41 0.513 -7.421 2.497 315 1HG1 ILE 41 1HG1 ILE 41 -0.933 -6.222 0.132 316 2HG1 ILE 41 2HG1 ILE 41 -0.019 -5.233 1.254 317 1HG2 ILE 41 1HG2 ILE 41 -0.192 -8.979 0.740 318 2HG2 ILE 41 2HG2 ILE 41 -1.068 -9.260 2.263 319 3HG2 ILE 41 3HG2 ILE 41 -1.872 -8.420 0.917 320 1HD1 ILE 41 1HD1 ILE 41 1.470 -5.822 -0.562 321 2HD1 ILE 41 2HD1 ILE 41 1.979 -6.769 0.857 322 3HD1 ILE 41 3HD1 ILE 41 1.031 -7.543 -0.436 323 H ARG 42 H ARG 42 0.711 -6.331 4.418 324 HA ARG 42 HA ARG 42 0.277 -3.466 4.612 325 1HB ARG 42 1HB ARG 42 1.391 -3.935 7.048 326 2HB ARG 42 2HB ARG 42 -0.343 -3.915 6.797 327 1HG ARG 42 1HG ARG 42 1.201 -6.495 6.401 328 2HG ARG 42 2HG ARG 42 0.785 -5.974 8.022 329 1HD ARG 42 1HD ARG 42 -1.582 -5.661 6.424 330 2HD ARG 42 2HD ARG 42 -0.917 -7.236 6.038 331 HE ARG 42 HE ARG 42 -0.864 -6.851 8.890 332 1HH1 ARG 42 1HH1 ARG 42 -3.138 -7.482 6.247 333 2HH1 ARG 42 2HH1 ARG 42 -4.286 -8.288 7.263 334 1HH2 ARG 42 1HH2 ARG 42 -3.820 -8.529 9.601 335 H ARG 43 H ARG 43 2.065 -2.476 3.734 336 HA ARG 43 HA ARG 43 4.611 -3.806 4.201 337 1HB ARG 43 1HB ARG 43 5.360 -3.035 1.968 338 2HB ARG 43 2HB ARG 43 3.920 -4.021 1.815 339 1HG ARG 43 1HG ARG 43 2.612 -2.256 1.112 340 2HG ARG 43 2HG ARG 43 3.390 -1.111 2.187 341 1HD ARG 43 1HD ARG 43 4.199 -0.338 0.141 342 2HD ARG 43 2HD ARG 43 5.480 -1.459 0.555 343 HE ARG 43 HE ARG 43 4.730 -2.945 -1.126 344 1HH1 ARG 43 1HH1 ARG 43 2.404 -0.304 -0.707 345 2HH1 ARG 43 2HH1 ARG 43 1.519 -0.690 -2.145 346 1HH2 ARG 43 1HH2 ARG 43 2.218 -2.545 -3.492 347 H ASN 44 H ASN 44 6.511 -2.087 3.725 348 HA ASN 44 HA ASN 44 5.749 0.251 5.252 349 1HB ASN 44 1HB ASN 44 8.580 -0.581 4.469 350 2HB ASN 44 2HB ASN 44 8.106 0.467 5.791 351 1HD2 ASN 44 1HD2 ASN 44 9.678 -1.290 6.659 352 2HD2 ASN 44 2HD2 ASN 44 8.936 -2.645 7.443 353 H VAL 45 H VAL 45 6.170 2.398 4.421 354 HA VAL 45 HA VAL 45 7.361 2.570 1.767 355 HB VAL 45 HB VAL 45 4.667 3.760 2.449 356 1HG1 VAL 45 1HG1 VAL 45 6.349 3.733 -0.071 357 2HG1 VAL 45 2HG1 VAL 45 4.616 4.141 -0.059 358 3HG1 VAL 45 3HG1 VAL 45 5.773 5.140 0.853 359 1HG2 VAL 45 1HG2 VAL 45 4.018 2.070 0.515 360 2HG2 VAL 45 2HG2 VAL 45 5.432 1.181 1.129 361 3HG2 VAL 45 3HG2 VAL 45 4.072 1.550 2.216 362 H ARG 46 H ARG 46 7.902 4.876 1.210 363 HA ARG 46 HA ARG 46 8.738 6.161 3.648 364 1HB ARG 46 1HB ARG 46 9.423 6.776 0.728 365 2HB ARG 46 2HB ARG 46 10.165 7.550 2.114 366 1HG ARG 46 1HG ARG 46 11.604 5.817 2.410 367 2HG ARG 46 2HG ARG 46 10.294 4.653 2.426 368 1HD ARG 46 1HD ARG 46 10.943 5.779 -0.266 369 2HD ARG 46 2HD ARG 46 12.206 4.797 0.449 370 HE ARG 46 HE ARG 46 9.724 3.420 0.779 371 1HH1 ARG 46 1HH1 ARG 46 11.954 4.357 -1.810 372 2HH1 ARG 46 2HH1 ARG 46 11.514 3.033 -2.838 373 1HH2 ARG 46 1HH2 ARG 46 9.859 1.468 -2.091 374 H GLY 47 H GLY 47 8.174 8.347 4.191 375 1HA GLY 47 1HA GLY 47 7.192 10.419 3.764 376 2HA GLY 47 2HA GLY 47 6.320 9.746 2.402 377 HA PRO 48 HA PRO 48 3.557 9.821 6.070 378 1HB PRO 48 1HB PRO 48 1.796 11.750 5.268 379 2HB PRO 48 2HB PRO 48 3.148 12.071 6.335 380 1HG PRO 48 1HG PRO 48 2.847 12.738 3.470 381 2HG PRO 48 2HG PRO 48 3.968 13.405 4.640 382 1HD PRO 48 1HD PRO 48 4.560 11.480 2.599 383 2HD PRO 48 2HD PRO 48 5.652 12.058 3.841 384 H VAL 49 H VAL 49 3.586 8.924 2.973 385 HA VAL 49 HA VAL 49 2.315 7.601 1.741 386 HB VAL 49 HB VAL 49 1.220 6.969 4.478 387 1HG1 VAL 49 1HG1 VAL 49 0.258 6.071 1.810 388 2HG1 VAL 49 2HG1 VAL 49 0.467 4.809 3.048 389 3HG1 VAL 49 3HG1 VAL 49 -0.604 6.196 3.363 390 1HG2 VAL 49 1HG2 VAL 49 2.534 4.794 3.132 391 2HG2 VAL 49 2HG2 VAL 49 3.573 6.238 3.068 392 3HG2 VAL 49 3HG2 VAL 49 2.994 5.627 4.636 393 H ARG 50 H ARG 50 0.310 7.539 0.559 394 HA ARG 50 HA ARG 50 -1.709 9.361 1.520 395 1HB ARG 50 1HB ARG 50 -0.648 9.567 -1.336 396 2HB ARG 50 2HB ARG 50 -1.784 10.646 -0.548 397 1HG ARG 50 1HG ARG 50 -0.090 11.555 0.900 398 2HG ARG 50 2HG ARG 50 1.027 10.251 0.548 399 1HD ARG 50 1HD ARG 50 0.849 11.117 -1.953 400 2HD ARG 50 2HD ARG 50 0.239 12.587 -1.219 401 HE ARG 50 HE ARG 50 2.394 13.065 -0.438 402 1HH1 ARG 50 1HH1 ARG 50 2.237 9.634 -1.312 403 2HH1 ARG 50 2HH1 ARG 50 3.934 9.373 -1.089 404 1HH2 ARG 50 1HH2 ARG 50 5.324 11.201 -0.404 405 H VAL 51 H VAL 51 -3.759 8.531 1.114 406 HA VAL 51 HA VAL 51 -4.123 5.981 0.204 407 HB VAL 51 HB VAL 51 -5.728 7.209 1.532 408 1HG1 VAL 51 1HG1 VAL 51 -5.330 9.284 -0.271 409 2HG1 VAL 51 2HG1 VAL 51 -6.986 8.734 -0.624 410 3HG1 VAL 51 3HG1 VAL 51 -6.547 9.232 1.027 411 1HG2 VAL 51 1HG2 VAL 51 -7.816 6.609 0.292 412 2HG2 VAL 51 2HG2 VAL 51 -6.819 6.294 -1.149 413 3HG2 VAL 51 3HG2 VAL 51 -6.597 5.313 0.319 414 H GLY 52 H GLY 52 -4.827 5.029 -1.772 415 1HA GLY 52 1HA GLY 52 -5.339 5.026 -4.021 416 2HA GLY 52 2HA GLY 52 -4.923 6.725 -4.141 417 H ASP 53 H ASP 53 -2.349 6.024 -2.468 418 HA ASP 53 HA ASP 53 -0.580 6.067 -4.486 419 1HB ASP 53 1HB ASP 53 0.061 6.437 -2.154 420 2HB ASP 53 2HB ASP 53 -0.347 4.787 -1.726 421 HD2 ASP 53 HD2 ASP 53 1.762 6.465 -3.912 422 H ILE 54 H ILE 54 0.382 4.506 -5.864 423 HA ILE 54 HA ILE 54 -0.557 1.749 -5.481 424 HB ILE 54 HB ILE 54 -0.038 3.390 -7.943 425 1HG1 ILE 54 1HG1 ILE 54 -2.393 1.596 -7.410 426 2HG1 ILE 54 2HG1 ILE 54 -2.312 3.180 -6.665 427 1HG2 ILE 54 1HG2 ILE 54 1.036 1.554 -8.734 428 2HG2 ILE 54 2HG2 ILE 54 0.234 0.448 -7.594 429 3HG2 ILE 54 3HG2 ILE 54 -0.637 1.027 -9.034 430 1HD1 ILE 54 1HD1 ILE 54 -1.614 3.806 -9.256 431 2HD1 ILE 54 2HD1 ILE 54 -2.737 2.449 -9.514 432 3HD1 ILE 54 3HD1 ILE 54 -3.274 3.890 -8.617 433 H LEU 55 H LEU 55 0.939 0.050 -5.575 434 HA LEU 55 HA LEU 55 3.670 0.624 -6.240 435 1HB LEU 55 1HB LEU 55 2.785 0.850 -3.518 436 2HB LEU 55 2HB LEU 55 3.864 -0.523 -3.664 437 HG LEU 55 HG LEU 55 5.032 1.660 -5.094 438 1HD1 LEU 55 1HD1 LEU 55 5.329 2.978 -2.753 439 2HD1 LEU 55 2HD1 LEU 55 4.140 3.419 -4.002 440 3HD1 LEU 55 3HD1 LEU 55 3.638 2.442 -2.602 441 1HD2 LEU 55 1HD2 LEU 55 5.734 0.129 -2.586 442 2HD2 LEU 55 2HD2 LEU 55 6.394 -0.061 -4.228 443 3HD2 LEU 55 3HD2 LEU 55 6.785 1.389 -3.272 444 H ILE 56 H ILE 56 4.379 -1.122 -7.337 445 HA ILE 56 HA ILE 56 2.859 -3.579 -7.042 446 HB ILE 56 HB ILE 56 5.077 -3.057 -9.002 447 1HG1 ILE 56 1HG1 ILE 56 2.218 -2.082 -9.129 448 2HG1 ILE 56 2HG1 ILE 56 3.688 -1.139 -9.273 449 1HG2 ILE 56 1HG2 ILE 56 2.704 -4.553 -9.839 450 2HG2 ILE 56 2HG2 ILE 56 4.432 -4.955 -9.985 451 3HG2 ILE 56 3HG2 ILE 56 3.563 -5.295 -8.469 452 1HD1 ILE 56 1HD1 ILE 56 2.216 -2.495 -11.353 453 2HD1 ILE 56 2HD1 ILE 56 3.652 -1.455 -11.512 454 3HD1 ILE 56 3HD1 ILE 56 3.844 -3.206 -11.253 455 H LEU 57 H LEU 57 3.775 -5.586 -6.446 456 HA LEU 57 HA LEU 57 6.464 -5.365 -5.288 457 1HB LEU 57 1HB LEU 57 4.388 -5.392 -3.712 458 2HB LEU 57 2HB LEU 57 4.331 -7.101 -4.096 459 HG LEU 57 HG LEU 57 5.509 -6.625 -1.985 460 1HD1 LEU 57 1HD1 LEU 57 6.787 -8.428 -2.283 461 2HD1 LEU 57 2HD1 LEU 57 6.241 -8.393 -3.977 462 3HD1 LEU 57 3HD1 LEU 57 7.783 -7.629 -3.523 463 1HD2 LEU 57 1HD2 LEU 57 6.600 -4.474 -3.304 464 2HD2 LEU 57 2HD2 LEU 57 7.137 -5.114 -1.732 465 3HD2 LEU 57 3HD2 LEU 57 7.965 -5.613 -3.226 466 H ARG 58 H ARG 58 7.903 -6.912 -5.921 467 HA ARG 58 HA ARG 58 7.329 -8.458 -8.094 468 1HB ARG 58 1HB ARG 58 9.521 -8.436 -6.015 469 2HB ARG 58 2HB ARG 58 9.462 -9.798 -7.117 470 1HG ARG 58 1HG ARG 58 10.093 -8.534 -8.935 471 2HG ARG 58 2HG ARG 58 9.138 -7.150 -8.438 472 1HD ARG 58 1HD ARG 58 10.876 -6.700 -6.619 473 2HD ARG 58 2HD ARG 58 11.856 -7.978 -7.312 474 HE ARG 58 HE ARG 58 10.987 -5.888 -9.211 475 1HH1 ARG 58 1HH1 ARG 58 13.552 -7.041 -7.057 476 2HH1 ARG 58 2HH1 ARG 58 14.791 -6.109 -7.830 477 1HH2 ARG 58 1HH2 ARG 58 14.220 -4.716 -9.695 478 H GLU 59 H GLU 59 7.726 -9.480 -4.618 479 HA GLU 59 HA GLU 59 5.726 -11.486 -5.045 480 1HB GLU 59 1HB GLU 59 8.227 -12.345 -5.567 481 2HB GLU 59 2HB GLU 59 8.271 -12.525 -3.825 482 1HG GLU 59 1HG GLU 59 6.202 -13.916 -3.904 483 2HG GLU 59 2HG GLU 59 6.122 -13.714 -5.643 484 HE2 GLU 59 HE2 GLU 59 8.283 -16.587 -4.177 485 H THR 60 H THR 60 8.417 -10.934 -2.656 486 HA THR 60 HA THR 60 6.532 -9.879 -0.739 487 HB THR 60 HB THR 60 6.188 -12.305 -0.449 488 HG1 THR 60 HG1 THR 60 7.134 -12.324 1.795 489 1HG2 THR 60 1HG2 THR 60 9.208 -12.423 0.054 490 2HG2 THR 60 2HG2 THR 60 8.061 -13.776 0.205 491 3HG2 THR 60 3HG2 THR 60 8.409 -13.078 -1.396 492 H GLU 61 H GLU 61 9.858 -11.145 -1.364 493 HA GLU 61 HA GLU 61 11.800 -10.226 -1.016 494 1HB GLU 61 1HB GLU 61 10.057 -7.898 -1.014 495 2HB GLU 61 2HB GLU 61 11.353 -7.660 0.142 496 1HG GLU 61 1HG GLU 61 13.037 -7.804 -1.496 497 2HG GLU 61 2HG GLU 61 12.056 -8.772 -2.577 498 HE2 GLU 61 HE2 GLU 61 12.240 -5.182 -3.624 499 H ARG 62 H ARG 62 9.647 -8.878 1.598 500 HA ARG 62 HA ARG 62 11.363 -8.860 3.615 501 1HB ARG 62 1HB ARG 62 8.499 -8.962 3.314 502 2HB ARG 62 2HB ARG 62 8.914 -10.047 4.626 503 1HG ARG 62 1HG ARG 62 10.446 -8.059 5.459 504 2HG ARG 62 2HG ARG 62 9.464 -7.071 4.395 505 1HD ARG 62 1HD ARG 62 7.660 -8.743 5.889 506 2HD ARG 62 2HD ARG 62 8.808 -8.077 7.033 507 HE ARG 62 HE ARG 62 8.032 -5.937 5.355 508 1HH1 ARG 62 1HH1 ARG 62 6.486 -8.114 7.684 509 2HH1 ARG 62 2HH1 ARG 62 5.266 -6.970 8.132 510 1HH2 ARG 62 1HH2 ARG 62 5.247 -4.808 7.097 511 H GLU 63 H GLU 63 12.880 -10.419 4.142 512 HA GLU 63 HA GLU 63 11.831 -13.103 4.551 513 1HB GLU 63 1HB GLU 63 13.576 -12.397 2.471 514 2HB GLU 63 2HB GLU 63 14.645 -13.065 3.688 515 1HG GLU 63 1HG GLU 63 14.044 -15.069 2.740 516 2HG GLU 63 2HG GLU 63 12.656 -14.926 3.799 517 HE2 GLU 63 HE2 GLU 63 10.743 -15.225 0.927 518 H ALA 64 H ALA 64 13.707 -14.444 5.805 519 HA ALA 64 HA ALA 64 14.865 -12.637 7.808 520 1HB ALA 64 1HB ALA 64 12.640 -13.965 8.382 521 2HB ALA 64 2HB ALA 64 13.768 -15.325 8.596 522 3HB ALA 64 3HB ALA 64 13.962 -13.847 9.569 523 H ARG 65 H ARG 65 16.521 -13.998 9.206 524 HA ARG 65 HA ARG 65 18.189 -15.280 7.241 525 1HB ARG 65 1HB ARG 65 18.624 -13.633 9.580 526 2HB ARG 65 2HB ARG 65 19.443 -15.161 9.844 527 1HG ARG 65 1HG ARG 65 21.132 -14.269 8.596 528 2HG ARG 65 2HG ARG 65 20.124 -14.640 7.211 529 1HD ARG 65 1HD ARG 65 20.460 -12.373 6.819 530 2HD ARG 65 2HD ARG 65 19.012 -12.267 7.800 531 HE ARG 65 HE ARG 65 21.181 -12.264 9.609 532 1HH1 ARG 65 1HH1 ARG 65 19.988 -10.206 6.983 533 2HH1 ARG 65 2HH1 ARG 65 20.647 -8.752 7.656 534 1HH2 ARG 65 1HH2 ARG 65 21.856 -8.859 9.723 535 H GLU 66 H GLU 66 15.779 -16.218 9.338 536 HA GLU 66 HA GLU 66 15.120 -18.174 10.039 537 1HB GLU 66 1HB GLU 66 16.366 -19.085 8.003 538 2HB GLU 66 2HB GLU 66 17.728 -19.408 9.059 539 1HG GLU 66 1HG GLU 66 16.324 -20.889 10.468 540 2HG GLU 66 2HG GLU 66 14.913 -20.514 9.500 541 HE2 GLU 66 HE2 GLU 66 15.739 -23.438 7.912 542 H ILE 67 H ILE 67 15.762 -16.687 12.029 543 HA ILE 67 HA ILE 67 17.967 -17.813 13.537 544 HB ILE 67 HB ILE 67 17.358 -15.322 13.280 545 1HG1 ILE 67 1HG1 ILE 67 17.742 -15.599 16.125 546 2HG1 ILE 67 2HG1 ILE 67 18.659 -16.836 15.289 547 1HG2 ILE 67 1HG2 ILE 67 15.481 -14.523 14.157 548 2HG2 ILE 67 2HG2 ILE 67 14.955 -16.205 14.408 549 3HG2 ILE 67 3HG2 ILE 67 15.791 -15.330 15.714 550 1HD1 ILE 67 1HD1 ILE 67 19.567 -15.023 13.748 551 2HD1 ILE 67 2HD1 ILE 67 18.775 -13.827 14.803 552 3HD1 ILE 67 3HD1 ILE 67 20.066 -14.868 15.450 553 H LYS 68 H LYS 68 16.457 -17.145 16.106 554 HA LYS 68 HA LYS 68 14.182 -18.693 16.332 555 1HB LYS 68 1HB LYS 68 15.123 -20.740 17.429 556 2HB LYS 68 2HB LYS 68 15.383 -20.645 15.699 557 1HG LYS 68 1HG LYS 68 17.606 -20.892 16.061 558 2HG LYS 68 2HG LYS 68 17.621 -19.328 16.849 559 1HD LYS 68 1HD LYS 68 18.401 -20.603 18.616 560 2HD LYS 68 2HD LYS 68 16.683 -20.756 18.929 561 1HE LYS 68 1HE LYS 68 16.864 -22.851 17.289 562 2HE LYS 68 2HE LYS 68 18.569 -22.776 17.690 563 1HZ LYS 68 1HZ LYS 68 18.000 -22.976 20.031 564 2HZ LYS 68 2HZ LYS 68 16.402 -22.926 19.719 565 H SER 69 H SER 69 17.281 -17.587 17.749 566 HA SER 69 HA SER 69 17.725 -16.514 19.582 567 1HB SER 69 1HB SER 69 14.823 -15.941 19.264 568 2HB SER 69 2HB SER 69 15.426 -15.728 20.895 569 HG SER 69 HG SER 69 17.281 -14.571 19.429 570 H ARG 70 H ARG 70 17.542 -16.656 22.075 571 HA ARG 70 HA ARG 70 17.443 -17.797 23.910 572 1HB ARG 70 1HB ARG 70 14.945 -18.415 22.666 573 2HB ARG 70 2HB ARG 70 15.551 -19.938 23.285 574 1HG ARG 70 1HG ARG 70 16.089 -18.151 25.378 575 2HG ARG 70 2HG ARG 70 14.553 -17.579 24.759 576 1HD ARG 70 1HD ARG 70 14.878 -20.552 25.164 577 2HD ARG 70 2HD ARG 70 14.695 -19.551 26.591 578 HE ARG 70 HE ARG 70 12.707 -18.819 24.638 579 1HH1 ARG 70 1HH1 ARG 70 13.484 -21.395 26.943 580 2HH1 ARG 70 2HH1 ARG 70 11.833 -21.873 27.154 581 1HH2 ARG 70 1HH2 ARG 70 10.112 -20.715 25.953 582 H ARG 71 H ARG 71 17.813 -20.146 24.862 583 HA ARG 71 HA ARG 71 19.034 -21.816 22.831 584 1HB ARG 71 1HB ARG 71 21.006 -22.198 24.316 585 2HB ARG 71 2HB ARG 71 20.868 -20.510 23.865 586 1HG ARG 71 1HG ARG 71 19.805 -19.973 26.030 587 2HG ARG 71 2HG ARG 71 19.784 -21.668 26.476 588 1HD ARG 71 1HD ARG 71 21.980 -21.644 27.121 589 2HD ARG 71 2HD ARG 71 22.484 -20.763 25.692 590 HE ARG 71 HE ARG 71 21.205 -18.799 27.100 591 1HH1 ARG 71 1HH1 ARG 71 23.647 -21.170 28.088 592 2HH1 ARG 71 2HH1 ARG 71 24.323 -20.148 29.313 593 1HH2 ARG 71 1HH2 ARG 71 23.395 -17.966 29.664 Start of MODEL 7 1 1H MET 1 1H MET 1 2.761 3.415 -12.666 2 HA MET 1 HA MET 1 0.631 5.323 -13.002 3 1HB MET 1 1HB MET 1 3.581 5.912 -13.224 4 2HB MET 1 2HB MET 1 2.569 6.585 -14.487 5 1HG MET 1 1HG MET 1 2.340 8.314 -12.974 6 2HG MET 1 2HG MET 1 1.058 7.299 -12.345 7 1HE MET 1 1HE MET 1 2.009 7.731 -8.865 8 2HE MET 1 2HE MET 1 2.044 9.139 -9.953 9 3HE MET 1 3HE MET 1 0.842 7.850 -10.202 10 H ALA 2 H ALA 2 1.283 2.491 -13.797 11 HA ALA 2 HA ALA 2 0.463 2.694 -16.491 12 1HB ALA 2 1HB ALA 2 2.424 1.763 -17.586 13 2HB ALA 2 2HB ALA 2 2.898 3.250 -16.732 14 3HB ALA 2 3HB ALA 2 3.289 1.660 -16.035 15 H GLU 3 H GLU 3 1.489 0.067 -17.274 16 HA GLU 3 HA GLU 3 0.805 -1.693 -15.140 17 1HB GLU 3 1HB GLU 3 -1.453 -1.071 -15.885 18 2HB GLU 3 2HB GLU 3 -1.043 -1.427 -17.551 19 1HG GLU 3 1HG GLU 3 -0.628 -3.822 -16.929 20 2HG GLU 3 2HG GLU 3 -1.061 -3.461 -15.270 21 HE2 GLU 3 HE2 GLU 3 -3.196 -3.024 -14.859 22 H ASP 4 H ASP 4 1.713 -3.743 -15.467 23 HA ASP 4 HA ASP 4 2.643 -4.300 -18.156 24 1HB ASP 4 1HB ASP 4 4.309 -3.588 -15.885 25 2HB ASP 4 2HB ASP 4 4.627 -5.257 -16.312 26 HD2 ASP 4 HD2 ASP 4 6.518 -2.623 -18.319 27 H GLU 5 H GLU 5 0.574 -5.194 -15.936 28 HA GLU 5 HA GLU 5 -0.412 -7.066 -15.421 29 1HB GLU 5 1HB GLU 5 1.247 -7.883 -17.641 30 2HB GLU 5 2HB GLU 5 1.240 -9.174 -16.456 31 1HG GLU 5 1HG GLU 5 -1.434 -7.962 -16.902 32 2HG GLU 5 2HG GLU 5 -0.758 -8.709 -18.336 33 HE2 GLU 5 HE2 GLU 5 0.290 -10.832 -17.751 34 H GLY 6 H GLY 6 2.318 -5.932 -14.218 35 1HA GLY 6 1HA GLY 6 3.548 -8.093 -12.873 36 2HA GLY 6 2HA GLY 6 3.669 -6.390 -12.477 37 H TYR 7 H TYR 7 3.275 -6.256 -10.293 38 HA TYR 7 HA TYR 7 0.694 -7.327 -9.395 39 1HB TYR 7 1HB TYR 7 2.326 -8.880 -8.515 40 2HB TYR 7 2HB TYR 7 3.549 -7.634 -8.360 41 HD1 TYR 7 HD1 TYR 7 4.140 -7.119 -6.185 42 HD2 TYR 7 HD2 TYR 7 0.092 -8.240 -7.003 43 HE1 TYR 7 HE1 TYR 7 3.566 -6.870 -3.721 44 HE2 TYR 7 HE2 TYR 7 -0.468 -7.989 -4.535 45 HH TYR 7 HH TYR 7 2.052 -7.391 -2.168 46 HA PRO 8 HA PRO 8 1.092 -2.989 -8.250 47 1HB PRO 8 1HB PRO 8 -1.392 -2.193 -9.064 48 2HB PRO 8 2HB PRO 8 0.032 -2.076 -10.078 49 1HG PRO 8 1HG PRO 8 -2.196 -4.012 -10.229 50 2HG PRO 8 2HG PRO 8 -1.010 -3.607 -11.453 51 1HD PRO 8 1HD PRO 8 -1.045 -5.958 -9.810 52 2HD PRO 8 2HD PRO 8 0.202 -5.495 -10.951 53 H ALA 9 H ALA 9 0.082 -1.660 -6.593 54 HA ALA 9 HA ALA 9 -1.930 -3.091 -5.072 55 1HB ALA 9 1HB ALA 9 -0.530 -3.863 -3.497 56 2HB ALA 9 2HB ALA 9 0.853 -3.252 -4.436 57 3HB ALA 9 3HB ALA 9 0.079 -2.215 -3.215 58 H GLU 10 H GLU 10 -3.378 -1.661 -4.198 59 HA GLU 10 HA GLU 10 -2.569 1.136 -4.338 60 1HB GLU 10 1HB GLU 10 -4.438 0.531 -5.847 61 2HB GLU 10 2HB GLU 10 -5.352 -0.104 -4.494 62 1HG GLU 10 1HG GLU 10 -5.090 2.268 -3.433 63 2HG GLU 10 2HG GLU 10 -4.580 2.790 -5.027 64 HE2 GLU 10 HE2 GLU 10 -7.012 2.316 -6.770 65 H VAL 11 H VAL 11 -2.837 2.481 -2.523 66 HA VAL 11 HA VAL 11 -2.892 1.171 -0.025 67 HB VAL 11 HB VAL 11 -2.973 4.064 -0.883 68 1HG1 VAL 11 1HG1 VAL 11 -3.901 4.336 1.197 69 2HG1 VAL 11 2HG1 VAL 11 -3.173 2.846 1.844 70 3HG1 VAL 11 3HG1 VAL 11 -2.177 4.308 1.642 71 1HG2 VAL 11 1HG2 VAL 11 -0.635 4.060 -0.067 72 2HG2 VAL 11 2HG2 VAL 11 -0.774 2.319 0.277 73 3HG2 VAL 11 3HG2 VAL 11 -0.892 2.908 -1.398 74 H ILE 12 H ILE 12 -4.575 0.642 1.285 75 HA ILE 12 HA ILE 12 -7.216 1.519 0.402 76 HB ILE 12 HB ILE 12 -8.014 -0.316 1.861 77 1HG1 ILE 12 1HG1 ILE 12 -5.093 -1.077 2.123 78 2HG1 ILE 12 2HG1 ILE 12 -6.015 -0.291 3.388 79 1HG2 ILE 12 1HG2 ILE 12 -7.538 -2.047 0.318 80 2HG2 ILE 12 2HG2 ILE 12 -7.519 -0.529 -0.611 81 3HG2 ILE 12 3HG2 ILE 12 -5.987 -1.308 -0.150 82 1HD1 ILE 12 1HD1 ILE 12 -6.124 -2.645 3.855 83 2HD1 ILE 12 2HD1 ILE 12 -7.716 -2.212 3.184 84 3HD1 ILE 12 3HD1 ILE 12 -6.512 -3.034 2.161 85 H GLU 13 H GLU 13 -4.958 1.514 3.194 86 HA GLU 13 HA GLU 13 -6.215 3.846 4.172 87 1HB GLU 13 1HB GLU 13 -7.818 2.269 5.112 88 2HB GLU 13 2HB GLU 13 -6.535 1.252 5.736 89 1HG GLU 13 1HG GLU 13 -5.893 2.872 7.388 90 2HG GLU 13 2HG GLU 13 -6.768 4.162 6.589 91 HE2 GLU 13 HE2 GLU 13 -7.011 2.688 9.255 92 H ILE 14 H ILE 14 -4.842 4.975 5.646 93 HA ILE 14 HA ILE 14 -2.133 4.034 5.609 94 HB ILE 14 HB ILE 14 -3.222 6.487 6.977 95 1HG1 ILE 14 1HG1 ILE 14 -4.127 6.550 4.751 96 2HG1 ILE 14 2HG1 ILE 14 -2.801 7.692 4.855 97 1HG2 ILE 14 1HG2 ILE 14 -1.093 7.186 7.171 98 2HG2 ILE 14 2HG2 ILE 14 -0.715 5.453 7.034 99 3HG2 ILE 14 3HG2 ILE 14 -0.608 6.503 5.601 100 1HD1 ILE 14 1HD1 ILE 14 -3.093 5.404 3.094 101 2HD1 ILE 14 2HD1 ILE 14 -1.845 6.673 3.076 102 3HD1 ILE 14 3HD1 ILE 14 -1.620 5.219 4.077 103 H ILE 15 H ILE 15 -0.845 3.443 7.397 104 HA ILE 15 HA ILE 15 -2.440 2.532 9.669 105 HB ILE 15 HB ILE 15 0.236 1.733 8.547 106 1HG1 ILE 15 1HG1 ILE 15 -2.360 0.223 8.975 107 2HG1 ILE 15 2HG1 ILE 15 -1.743 0.801 7.440 108 1HG2 ILE 15 1HG2 ILE 15 -0.821 1.405 11.297 109 2HG2 ILE 15 2HG2 ILE 15 -0.125 -0.047 10.538 110 3HG2 ILE 15 3HG2 ILE 15 0.854 1.431 10.697 111 1HD1 ILE 15 1HD1 ILE 15 -0.982 -1.592 8.978 112 2HD1 ILE 15 2HD1 ILE 15 -0.724 -1.223 7.256 113 3HD1 ILE 15 3HD1 ILE 15 0.427 -0.628 8.475 114 H GLY 16 H GLY 16 0.989 3.658 9.302 115 1HA GLY 16 1HA GLY 16 0.811 6.052 10.639 116 2HA GLY 16 2HA GLY 16 0.963 4.844 11.900 117 H ARG 17 H ARG 17 2.976 6.761 11.545 118 HA ARG 17 HA ARG 17 4.980 5.823 9.831 119 1HB ARG 17 1HB ARG 17 6.445 7.401 11.282 120 2HB ARG 17 2HB ARG 17 5.098 8.133 10.434 121 1HG ARG 17 1HG ARG 17 4.462 7.080 13.158 122 2HG ARG 17 2HG ARG 17 5.569 8.439 13.124 123 1HD ARG 17 1HD ARG 17 3.522 9.114 11.270 124 2HD ARG 17 2HD ARG 17 2.682 8.402 12.633 125 HE ARG 17 HE ARG 17 3.884 10.987 12.599 126 1HH1 ARG 17 1HH1 ARG 17 3.681 8.165 14.731 127 2HH1 ARG 17 2HH1 ARG 17 3.887 9.090 16.181 128 1HH2 ARG 17 1HH2 ARG 17 4.164 11.466 16.029 129 H THR 18 H THR 18 7.146 4.962 10.544 130 HA THR 18 HA THR 18 7.305 3.814 13.182 131 HB THR 18 HB THR 18 6.719 2.183 10.684 132 HG1 THR 18 HG1 THR 18 6.089 1.993 13.543 133 1HG2 THR 18 1HG2 THR 18 8.388 0.716 11.298 134 2HG2 THR 18 2HG2 THR 18 8.642 1.530 12.860 135 3HG2 THR 18 3HG2 THR 18 7.329 0.341 12.679 136 H GLY 19 H GLY 19 8.895 5.761 12.506 137 1HA GLY 19 1HA GLY 19 11.455 4.441 12.170 138 2HA GLY 19 2HA GLY 19 11.025 5.561 10.892 139 H THR 20 H THR 20 9.989 5.910 14.311 140 HA THR 20 HA THR 20 10.407 7.468 15.842 141 HB THR 20 HB THR 20 13.074 7.310 14.386 142 HG1 THR 20 HG1 THR 20 11.886 6.706 17.001 143 1HG2 THR 20 1HG2 THR 20 12.643 9.669 15.462 144 2HG2 THR 20 2HG2 THR 20 12.652 8.794 17.012 145 3HG2 THR 20 3HG2 THR 20 14.096 8.778 15.973 146 H THR 21 H THR 21 12.307 9.070 13.234 147 HA THR 21 HA THR 21 10.669 11.425 13.598 148 HB THR 21 HB THR 21 13.253 10.670 12.206 149 HG1 THR 21 HG1 THR 21 12.203 12.748 13.995 150 1HG2 THR 21 1HG2 THR 21 13.363 13.062 11.393 151 2HG2 THR 21 2HG2 THR 21 12.139 12.104 10.524 152 3HG2 THR 21 3HG2 THR 21 11.638 13.242 11.799 153 H GLY 22 H GLY 22 11.218 8.883 11.131 154 1HA GLY 22 1HA GLY 22 8.840 8.651 10.038 155 2HA GLY 22 2HA GLY 22 9.305 10.192 9.346 156 H ASP 23 H ASP 23 11.350 7.299 10.119 157 HA ASP 23 HA ASP 23 12.590 7.516 7.590 158 1HB ASP 23 1HB ASP 23 12.725 5.447 9.827 159 2HB ASP 23 2HB ASP 23 13.679 5.302 8.365 160 HD2 ASP 23 HD2 ASP 23 14.287 5.845 11.226 161 H VAL 24 H VAL 24 10.145 5.419 9.201 162 HA VAL 24 HA VAL 24 9.555 4.244 6.579 163 HB VAL 24 HB VAL 24 9.574 2.772 9.222 164 1HG1 VAL 24 1HG1 VAL 24 9.571 0.871 7.267 165 2HG1 VAL 24 2HG1 VAL 24 8.112 1.474 8.090 166 3HG1 VAL 24 3HG1 VAL 24 8.581 2.141 6.508 167 1HG2 VAL 24 1HG2 VAL 24 11.833 3.497 8.031 168 2HG2 VAL 24 2HG2 VAL 24 11.636 1.880 8.750 169 3HG2 VAL 24 3HG2 VAL 24 11.456 2.101 6.993 170 H THR 25 H THR 25 7.292 3.616 6.307 171 HA THR 25 HA THR 25 5.464 4.567 8.362 172 HB THR 25 HB THR 25 5.700 5.717 5.536 173 HG1 THR 25 HG1 THR 25 5.455 6.882 8.212 174 1HG2 THR 25 1HG2 THR 25 3.265 5.244 6.306 175 2HG2 THR 25 2HG2 THR 25 3.583 6.387 7.632 176 3HG2 THR 25 3HG2 THR 25 3.658 6.941 5.943 177 H GLN 26 H GLN 26 4.097 2.949 8.726 178 HA GLN 26 HA GLN 26 3.797 0.948 6.721 179 1HB GLN 26 1HB GLN 26 3.557 1.089 9.548 180 2HB GLN 26 2HB GLN 26 1.954 0.687 8.966 181 1HG GLN 26 1HG GLN 26 2.660 -1.331 7.977 182 2HG GLN 26 2HG GLN 26 4.314 -0.784 7.786 183 1HE2 GLN 26 1HE2 GLN 26 3.644 -3.245 8.855 184 2HE2 GLN 26 2HE2 GLN 26 4.099 -3.319 10.525 185 H VAL 27 H VAL 27 1.820 0.347 5.650 186 HA VAL 27 HA VAL 27 -0.535 1.914 6.058 187 HB VAL 27 HB VAL 27 0.458 3.579 4.791 188 1HG1 VAL 27 1HG1 VAL 27 1.767 1.336 3.268 189 2HG1 VAL 27 2HG1 VAL 27 1.614 2.950 2.534 190 3HG1 VAL 27 3HG1 VAL 27 2.504 2.748 4.063 191 1HG2 VAL 27 1HG2 VAL 27 -1.070 1.764 2.902 192 2HG2 VAL 27 2HG2 VAL 27 -1.701 3.120 3.868 193 3HG2 VAL 27 3HG2 VAL 27 -0.600 3.434 2.504 194 H LYS 28 H LYS 28 -2.358 0.854 5.230 195 HA LYS 28 HA LYS 28 -1.825 -1.853 4.364 196 1HB LYS 28 1HB LYS 28 -3.957 -0.431 5.752 197 2HB LYS 28 2HB LYS 28 -4.590 -1.439 4.466 198 1HG LYS 28 1HG LYS 28 -3.257 -3.380 5.357 199 2HG LYS 28 2HG LYS 28 -2.679 -2.366 6.664 200 1HD LYS 28 1HD LYS 28 -5.638 -2.896 6.130 201 2HD LYS 28 2HD LYS 28 -4.677 -3.840 7.249 202 1HE LYS 28 1HE LYS 28 -4.060 -1.459 8.277 203 2HE LYS 28 2HE LYS 28 -5.518 -0.938 7.456 204 1HZ LYS 28 1HZ LYS 28 -6.512 -1.706 9.329 205 2HZ LYS 28 2HZ LYS 28 -6.353 -3.191 8.680 206 H VAL 29 H VAL 29 -2.298 -2.717 2.349 207 HA VAL 29 HA VAL 29 -3.516 -0.908 0.406 208 HB VAL 29 HB VAL 29 -1.795 -1.105 -1.144 209 1HG1 VAL 29 1HG1 VAL 29 -1.299 0.360 0.870 210 2HG1 VAL 29 2HG1 VAL 29 -0.243 -0.949 1.453 211 3HG1 VAL 29 3HG1 VAL 29 0.111 -0.142 -0.093 212 1HG2 VAL 29 1HG2 VAL 29 -1.377 -3.489 -1.006 213 2HG2 VAL 29 2HG2 VAL 29 0.166 -2.612 -0.866 214 3HG2 VAL 29 3HG2 VAL 29 -0.603 -3.299 0.586 215 H ARG 30 H ARG 30 -4.225 -2.118 -1.587 216 HA ARG 30 HA ARG 30 -4.712 -4.903 -0.895 217 1HB ARG 30 1HB ARG 30 -6.812 -3.683 -0.609 218 2HB ARG 30 2HB ARG 30 -6.617 -2.870 -2.148 219 1HG ARG 30 1HG ARG 30 -6.873 -4.994 -3.367 220 2HG ARG 30 2HG ARG 30 -6.898 -5.897 -1.865 221 1HD ARG 30 1HD ARG 30 -8.912 -3.772 -1.801 222 2HD ARG 30 2HD ARG 30 -9.128 -4.770 -3.226 223 HE ARG 30 HE ARG 30 -8.685 -6.317 -0.772 224 1HH1 ARG 30 1HH1 ARG 30 -11.121 -4.773 -2.830 225 2HH1 ARG 30 2HH1 ARG 30 -12.420 -5.759 -2.244 226 1HH2 ARG 30 1HH2 ARG 30 -11.972 -7.425 -0.581 227 H ILE 31 H ILE 31 -4.803 -6.398 -2.728 228 HA ILE 31 HA ILE 31 -3.078 -5.623 -4.848 229 HB ILE 31 HB ILE 31 -4.720 -8.126 -4.446 230 1HG1 ILE 31 1HG1 ILE 31 -1.997 -7.290 -3.466 231 2HG1 ILE 31 2HG1 ILE 31 -3.329 -7.979 -2.561 232 1HG2 ILE 31 1HG2 ILE 31 -3.757 -7.499 -6.792 233 2HG2 ILE 31 2HG2 ILE 31 -2.201 -7.975 -6.069 234 3HG2 ILE 31 3HG2 ILE 31 -3.541 -9.143 -6.147 235 1HD1 ILE 31 1HD1 ILE 31 -1.487 -9.629 -2.994 236 2HD1 ILE 31 2HD1 ILE 31 -3.046 -10.148 -3.679 237 3HD1 ILE 31 3HD1 ILE 31 -1.793 -9.465 -4.741 238 H LEU 32 H LEU 32 -3.569 -4.718 -6.777 239 HA LEU 32 HA LEU 32 -6.265 -4.011 -7.307 240 1HB LEU 32 1HB LEU 32 -3.632 -3.655 -8.699 241 2HB LEU 32 2HB LEU 32 -5.128 -3.277 -9.531 242 HG LEU 32 HG LEU 32 -5.182 -2.039 -6.939 243 1HD1 LEU 32 1HD1 LEU 32 -2.881 -0.934 -8.495 244 2HD1 LEU 32 2HD1 LEU 32 -3.253 -0.823 -6.758 245 3HD1 LEU 32 3HD1 LEU 32 -2.607 -2.337 -7.435 246 1HD2 LEU 32 1HD2 LEU 32 -5.441 -1.282 -9.796 247 2HD2 LEU 32 2HD2 LEU 32 -6.502 -0.939 -8.409 248 3HD2 LEU 32 3HD2 LEU 32 -5.024 0.021 -8.657 249 H GLU 33 H GLU 33 -3.975 -6.507 -8.501 250 HA GLU 33 HA GLU 33 -6.105 -8.149 -9.254 251 1HB GLU 33 1HB GLU 33 -5.705 -8.218 -11.709 252 2HB GLU 33 2HB GLU 33 -6.300 -6.654 -11.186 253 1HG GLU 33 1HG GLU 33 -4.492 -6.155 -12.664 254 2HG GLU 33 2HG GLU 33 -3.840 -5.896 -11.060 255 HE2 GLU 33 HE2 GLU 33 -1.567 -8.185 -11.074 256 H GLY 34 H GLY 34 -5.186 -10.180 -10.497 257 1HA GLY 34 1HA GLY 34 -2.824 -11.056 -11.010 258 2HA GLY 34 2HA GLY 34 -2.555 -10.756 -9.304 259 H ARG 35 H ARG 35 -2.440 -12.790 -8.398 260 HA ARG 35 HA ARG 35 -4.210 -14.815 -9.313 261 1HB ARG 35 1HB ARG 35 -1.707 -14.744 -8.019 262 2HB ARG 35 2HB ARG 35 -2.783 -15.369 -6.785 263 1HG ARG 35 1HG ARG 35 -3.145 -16.548 -9.510 264 2HG ARG 35 2HG ARG 35 -1.619 -16.918 -8.730 265 1HD ARG 35 1HD ARG 35 -3.554 -17.252 -6.687 266 2HD ARG 35 2HD ARG 35 -4.304 -17.934 -8.116 267 HE ARG 35 HE ARG 35 -2.066 -19.049 -6.663 268 1HH1 ARG 35 1HH1 ARG 35 -3.385 -18.741 -9.937 269 2HH1 ARG 35 2HH1 ARG 35 -2.611 -20.178 -10.517 270 1HH2 ARG 35 1HH2 ARG 35 -1.240 -21.457 -9.025 271 H ASP 36 H ASP 36 -3.720 -12.836 -6.322 272 HA ASP 36 HA ASP 36 -5.994 -14.056 -5.092 273 1HB ASP 36 1HB ASP 36 -4.350 -11.630 -4.227 274 2HB ASP 36 2HB ASP 36 -5.491 -12.501 -3.220 275 HD2 ASP 36 HD2 ASP 36 -2.448 -12.811 -4.810 276 H LYS 37 H LYS 37 -4.970 -10.891 -6.524 277 HA LYS 37 HA LYS 37 -6.120 -8.984 -6.829 278 1HB LYS 37 1HB LYS 37 -6.452 -10.071 -8.907 279 2HB LYS 37 2HB LYS 37 -7.687 -11.131 -8.262 280 1HG LYS 37 1HG LYS 37 -9.195 -9.180 -7.897 281 2HG LYS 37 2HG LYS 37 -7.954 -8.097 -8.493 282 1HD LYS 37 1HD LYS 37 -9.071 -8.382 -10.487 283 2HD LYS 37 2HD LYS 37 -8.044 -9.798 -10.606 284 1HE LYS 37 1HE LYS 37 -9.775 -11.284 -10.038 285 2HE LYS 37 2HE LYS 37 -10.666 -10.074 -9.136 286 1HZ LYS 37 1HZ LYS 37 -11.401 -9.074 -11.151 287 2HZ LYS 37 2HZ LYS 37 -10.344 -9.897 -12.077 288 H GLY 38 H GLY 38 -6.654 -8.322 -4.701 289 1HA GLY 38 1HA GLY 38 -8.686 -7.343 -3.757 290 2HA GLY 38 2HA GLY 38 -9.458 -8.904 -3.952 291 H ARG 39 H ARG 39 -6.051 -8.422 -2.912 292 HA ARG 39 HA ARG 39 -6.859 -9.553 -0.355 293 1HB ARG 39 1HB ARG 39 -5.102 -10.663 -2.108 294 2HB ARG 39 2HB ARG 39 -3.981 -9.623 -1.251 295 1HG ARG 39 1HG ARG 39 -5.643 -10.896 0.725 296 2HG ARG 39 2HG ARG 39 -5.117 -12.141 -0.390 297 1HD ARG 39 1HD ARG 39 -2.763 -10.739 -0.045 298 2HD ARG 39 2HD ARG 39 -3.508 -10.512 1.524 299 HE ARG 39 HE ARG 39 -3.860 -13.208 1.112 300 1HH1 ARG 39 1HH1 ARG 39 -1.008 -11.117 0.881 301 2HH1 ARG 39 2HH1 ARG 39 0.104 -12.378 1.301 302 1HH2 ARG 39 1HH2 ARG 39 -0.733 -14.576 1.760 303 H VAL 40 H VAL 40 -6.393 -8.378 1.514 304 HA VAL 40 HA VAL 40 -5.018 -5.834 1.094 305 HB VAL 40 HB VAL 40 -6.058 -5.241 3.262 306 1HG1 VAL 40 1HG1 VAL 40 -8.099 -4.675 2.327 307 2HG1 VAL 40 2HG1 VAL 40 -7.126 -5.014 0.874 308 3HG1 VAL 40 3HG1 VAL 40 -8.270 -6.233 1.485 309 1HG2 VAL 40 1HG2 VAL 40 -7.548 -7.872 3.004 310 2HG2 VAL 40 2HG2 VAL 40 -6.215 -7.574 4.144 311 3HG2 VAL 40 3HG2 VAL 40 -7.730 -6.651 4.285 312 H ILE 41 H ILE 41 -3.133 -5.291 2.178 313 HA ILE 41 HA ILE 41 -2.172 -7.122 4.215 314 HB ILE 41 HB ILE 41 0.054 -7.234 3.056 315 1HG1 ILE 41 1HG1 ILE 41 -1.512 -6.493 0.573 316 2HG1 ILE 41 2HG1 ILE 41 -0.491 -5.363 1.439 317 1HG2 ILE 41 1HG2 ILE 41 -0.470 -9.286 2.288 318 2HG2 ILE 41 2HG2 ILE 41 -2.051 -8.931 3.024 319 3HG2 ILE 41 3HG2 ILE 41 -1.807 -8.690 1.276 320 1HD1 ILE 41 1HD1 ILE 41 0.964 -7.848 1.020 321 2HD1 ILE 41 2HD1 ILE 41 0.314 -7.251 -0.526 322 3HD1 ILE 41 3HD1 ILE 41 1.366 -6.207 0.459 323 H ARG 42 H ARG 42 0.150 -6.160 4.949 324 HA ARG 42 HA ARG 42 -0.341 -3.298 5.163 325 1HB ARG 42 1HB ARG 42 1.146 -5.105 7.136 326 2HB ARG 42 2HB ARG 42 0.784 -3.408 7.375 327 1HG ARG 42 1HG ARG 42 -1.737 -4.301 6.878 328 2HG ARG 42 2HG ARG 42 -1.051 -5.782 7.514 329 1HD ARG 42 1HD ARG 42 -0.269 -3.465 9.147 330 2HD ARG 42 2HD ARG 42 -2.012 -3.590 9.018 331 HE ARG 42 HE ARG 42 -0.202 -5.531 10.308 332 1HH1 ARG 42 1HH1 ARG 42 -3.469 -4.907 9.089 333 2HH1 ARG 42 2HH1 ARG 42 -4.195 -6.165 10.032 334 1HH2 ARG 42 1HH2 ARG 42 -2.818 -7.495 11.474 335 H ARG 43 H ARG 43 1.027 -2.388 3.614 336 HA ARG 43 HA ARG 43 3.695 -3.490 3.439 337 1HB ARG 43 1HB ARG 43 1.832 -2.271 1.563 338 2HB ARG 43 2HB ARG 43 3.324 -1.353 1.556 339 1HG ARG 43 1HG ARG 43 3.245 -4.393 1.305 340 2HG ARG 43 2HG ARG 43 3.229 -3.322 -0.082 341 1HD ARG 43 1HD ARG 43 5.508 -3.418 0.023 342 2HD ARG 43 2HD ARG 43 5.370 -2.313 1.377 343 HE ARG 43 HE ARG 43 6.021 -4.046 2.794 344 1HH1 ARG 43 1HH1 ARG 43 4.714 -5.475 -0.174 345 2HH1 ARG 43 2HH1 ARG 43 5.099 -7.098 0.290 346 1HH2 ARG 43 1HH2 ARG 43 6.166 -7.495 2.400 347 H ASN 44 H ASN 44 5.537 -2.295 4.036 348 HA ASN 44 HA ASN 44 4.936 0.290 5.229 349 1HB ASN 44 1HB ASN 44 6.993 -0.064 6.580 350 2HB ASN 44 2HB ASN 44 5.908 -1.428 6.765 351 1HD2 ASN 44 1HD2 ASN 44 6.352 -3.391 5.753 352 2HD2 ASN 44 2HD2 ASN 44 7.932 -3.820 5.191 353 H VAL 45 H VAL 45 5.656 2.043 4.010 354 HA VAL 45 HA VAL 45 7.945 1.566 2.229 355 HB VAL 45 HB VAL 45 5.579 3.427 1.939 356 1HG1 VAL 45 1HG1 VAL 45 8.075 3.091 0.255 357 2HG1 VAL 45 2HG1 VAL 45 6.582 3.843 -0.357 358 3HG1 VAL 45 3HG1 VAL 45 7.450 4.573 1.016 359 1HG2 VAL 45 1HG2 VAL 45 5.733 0.727 1.368 360 2HG2 VAL 45 2HG2 VAL 45 4.597 1.886 0.635 361 3HG2 VAL 45 3HG2 VAL 45 6.120 1.487 -0.196 362 H ARG 46 H ARG 46 9.176 3.705 1.757 363 HA ARG 46 HA ARG 46 9.708 4.838 4.346 364 1HB ARG 46 1HB ARG 46 11.225 5.442 1.774 365 2HB ARG 46 2HB ARG 46 11.816 5.552 3.420 366 1HG ARG 46 1HG ARG 46 12.666 3.464 3.125 367 2HG ARG 46 2HG ARG 46 11.018 2.879 3.243 368 1HD ARG 46 1HD ARG 46 10.765 3.174 0.747 369 2HD ARG 46 2HD ARG 46 12.441 3.677 0.657 370 HE ARG 46 HE ARG 46 12.580 1.247 1.986 371 1HH1 ARG 46 1HH1 ARG 46 11.158 2.281 -1.090 372 2HH1 ARG 46 2HH1 ARG 46 11.368 0.737 -1.848 373 1HH2 ARG 46 1HH2 ARG 46 12.369 -1.053 -0.608 374 H GLY 47 H GLY 47 9.181 6.955 4.907 375 1HA GLY 47 1HA GLY 47 8.843 9.213 4.480 376 2HA GLY 47 2HA GLY 47 8.576 8.873 2.782 377 HA PRO 48 HA PRO 48 4.514 9.309 4.872 378 1HB PRO 48 1HB PRO 48 3.660 11.627 3.701 379 2HB PRO 48 2HB PRO 48 4.421 11.574 5.279 380 1HG PRO 48 1HG PRO 48 5.559 12.467 2.702 381 2HG PRO 48 2HG PRO 48 6.130 12.795 4.326 382 1HD PRO 48 1HD PRO 48 7.239 10.917 2.464 383 2HD PRO 48 2HD PRO 48 7.736 11.162 4.126 384 H VAL 49 H VAL 49 2.571 8.506 4.154 385 HA VAL 49 HA VAL 49 2.587 8.076 1.245 386 HB VAL 49 HB VAL 49 2.597 6.225 3.311 387 1HG1 VAL 49 1HG1 VAL 49 0.172 6.890 3.688 388 2HG1 VAL 49 2HG1 VAL 49 -0.176 6.184 2.091 389 3HG1 VAL 49 3HG1 VAL 49 0.472 5.160 3.395 390 1HG2 VAL 49 1HG2 VAL 49 2.789 4.717 1.613 391 2HG2 VAL 49 2HG2 VAL 49 1.419 5.395 0.702 392 3HG2 VAL 49 3HG2 VAL 49 3.005 6.201 0.655 393 H ARG 50 H ARG 50 0.140 7.559 0.529 394 HA ARG 50 HA ARG 50 -1.746 9.105 1.989 395 1HB ARG 50 1HB ARG 50 -0.664 10.925 0.742 396 2HB ARG 50 2HB ARG 50 -0.765 10.023 -0.757 397 1HG ARG 50 1HG ARG 50 -3.043 10.429 -1.025 398 2HG ARG 50 2HG ARG 50 -3.350 10.490 0.699 399 1HD ARG 50 1HD ARG 50 -1.619 12.678 0.230 400 2HD ARG 50 2HD ARG 50 -2.702 12.683 -1.149 401 HE ARG 50 HE ARG 50 -3.399 13.367 1.571 402 1HH1 ARG 50 1HH1 ARG 50 -4.729 11.840 -1.337 403 2HH1 ARG 50 2HH1 ARG 50 -6.370 12.216 -0.934 404 1HH2 ARG 50 1HH2 ARG 50 -6.839 13.407 1.092 405 H VAL 51 H VAL 51 -3.920 8.551 1.382 406 HA VAL 51 HA VAL 51 -4.330 6.075 0.302 407 HB VAL 51 HB VAL 51 -6.025 8.502 0.741 408 1HG1 VAL 51 1HG1 VAL 51 -8.036 7.241 0.052 409 2HG1 VAL 51 2HG1 VAL 51 -6.938 7.553 -1.313 410 3HG1 VAL 51 3HG1 VAL 51 -6.994 5.939 -0.568 411 1HG2 VAL 51 1HG2 VAL 51 -5.440 5.952 2.087 412 2HG2 VAL 51 2HG2 VAL 51 -6.017 7.499 2.754 413 3HG2 VAL 51 3HG2 VAL 51 -7.172 6.357 2.028 414 H GLY 52 H GLY 52 -4.960 5.258 -1.742 415 1HA GLY 52 1HA GLY 52 -5.464 5.440 -3.999 416 2HA GLY 52 2HA GLY 52 -4.959 7.118 -3.998 417 H ASP 53 H ASP 53 -2.426 6.448 -2.433 418 HA ASP 53 HA ASP 53 -0.660 6.402 -4.417 419 1HB ASP 53 1HB ASP 53 0.228 6.760 -2.267 420 2HB ASP 53 2HB ASP 53 -0.587 5.367 -1.585 421 HD2 ASP 53 HD2 ASP 53 1.794 3.549 -1.384 422 H ILE 54 H ILE 54 -0.049 4.889 -5.980 423 HA ILE 54 HA ILE 54 -0.658 2.075 -5.391 424 HB ILE 54 HB ILE 54 -1.146 3.732 -7.832 425 1HG1 ILE 54 1HG1 ILE 54 -2.824 1.502 -6.682 426 2HG1 ILE 54 2HG1 ILE 54 -2.878 3.123 -6.017 427 1HG2 ILE 54 1HG2 ILE 54 0.113 2.105 -8.899 428 2HG2 ILE 54 2HG2 ILE 54 -0.387 0.824 -7.769 429 3HG2 ILE 54 3HG2 ILE 54 -1.534 1.436 -8.985 430 1HD1 ILE 54 1HD1 ILE 54 -4.616 3.093 -7.641 431 2HD1 ILE 54 2HD1 ILE 54 -3.275 3.933 -8.456 432 3HD1 ILE 54 3HD1 ILE 54 -3.610 2.224 -8.826 433 H LEU 55 H LEU 55 0.921 0.540 -5.920 434 HA LEU 55 HA LEU 55 3.262 1.383 -7.353 435 1HB LEU 55 1HB LEU 55 4.829 0.908 -5.546 436 2HB LEU 55 2HB LEU 55 3.821 2.303 -5.219 437 HG LEU 55 HG LEU 55 2.348 0.648 -3.855 438 1HD1 LEU 55 1HD1 LEU 55 2.989 -1.466 -3.673 439 2HD1 LEU 55 2HD1 LEU 55 4.343 -1.142 -4.782 440 3HD1 LEU 55 3HD1 LEU 55 4.568 -0.958 -3.026 441 1HD2 LEU 55 1HD2 LEU 55 4.139 2.494 -3.144 442 2HD2 LEU 55 2HD2 LEU 55 3.314 1.449 -1.962 443 3HD2 LEU 55 3HD2 LEU 55 4.965 1.057 -2.497 444 H ILE 56 H ILE 56 4.613 -0.444 -7.953 445 HA ILE 56 HA ILE 56 3.159 -2.974 -7.623 446 HB ILE 56 HB ILE 56 5.049 -2.274 -9.859 447 1HG1 ILE 56 1HG1 ILE 56 2.147 -1.588 -9.529 448 2HG1 ILE 56 2HG1 ILE 56 3.453 -0.626 -10.194 449 1HG2 ILE 56 1HG2 ILE 56 3.995 -4.687 -9.076 450 2HG2 ILE 56 2HG2 ILE 56 2.844 -4.151 -10.324 451 3HG2 ILE 56 3HG2 ILE 56 4.577 -4.286 -10.710 452 1HD1 ILE 56 1HD1 ILE 56 2.469 -1.242 -12.186 453 2HD1 ILE 56 2HD1 ILE 56 3.503 -2.676 -11.977 454 3HD1 ILE 56 3HD1 ILE 56 1.787 -2.739 -11.505 455 H LEU 57 H LEU 57 4.367 -4.893 -7.185 456 HA LEU 57 HA LEU 57 7.123 -4.363 -6.322 457 1HB LEU 57 1HB LEU 57 4.843 -5.582 -4.837 458 2HB LEU 57 2HB LEU 57 6.442 -6.253 -4.588 459 HG LEU 57 HG LEU 57 5.919 -3.294 -4.301 460 1HD1 LEU 57 1HD1 LEU 57 4.763 -5.331 -2.693 461 2HD1 LEU 57 2HD1 LEU 57 6.050 -4.555 -1.740 462 3HD1 LEU 57 3HD1 LEU 57 4.745 -3.569 -2.443 463 1HD2 LEU 57 1HD2 LEU 57 7.888 -3.439 -2.787 464 2HD2 LEU 57 2HD2 LEU 57 8.064 -5.152 -3.239 465 3HD2 LEU 57 3HD2 LEU 57 8.244 -3.883 -4.474 466 H ARG 58 H ARG 58 5.755 -5.472 -8.843 467 HA ARG 58 HA ARG 58 6.255 -6.975 -10.319 468 1HB ARG 58 1HB ARG 58 8.611 -6.826 -9.037 469 2HB ARG 58 2HB ARG 58 8.203 -8.455 -8.533 470 1HG ARG 58 1HG ARG 58 7.625 -8.632 -11.209 471 2HG ARG 58 2HG ARG 58 8.894 -7.425 -11.257 472 1HD ARG 58 1HD ARG 58 9.818 -9.420 -9.442 473 2HD ARG 58 2HD ARG 58 9.115 -10.301 -10.784 474 HE ARG 58 HE ARG 58 10.637 -8.322 -12.016 475 1HH1 ARG 58 1HH1 ARG 58 11.329 -10.874 -9.658 476 2HH1 ARG 58 2HH1 ARG 58 12.975 -11.064 -10.161 477 1HH2 ARG 58 1HH2 ARG 58 13.825 -9.700 -11.938 478 H GLU 59 H GLU 59 6.590 -8.626 -7.082 479 HA GLU 59 HA GLU 59 4.180 -10.037 -7.501 480 1HB GLU 59 1HB GLU 59 5.092 -12.312 -7.591 481 2HB GLU 59 2HB GLU 59 5.679 -11.383 -8.956 482 1HG GLU 59 1HG GLU 59 7.590 -10.904 -6.933 483 2HG GLU 59 2HG GLU 59 7.190 -12.599 -6.744 484 HE2 GLU 59 HE2 GLU 59 9.819 -12.196 -8.045 485 H THR 60 H THR 60 3.905 -11.741 -5.611 486 HA THR 60 HA THR 60 4.199 -10.411 -3.210 487 HB THR 60 HB THR 60 3.535 -12.636 -2.258 488 HG1 THR 60 HG1 THR 60 4.765 -14.077 -3.518 489 1HG2 THR 60 1HG2 THR 60 1.464 -12.854 -3.370 490 2HG2 THR 60 2HG2 THR 60 1.920 -11.195 -3.824 491 3HG2 THR 60 3HG2 THR 60 2.180 -12.534 -4.968 492 H GLU 61 H GLU 61 6.481 -12.517 -4.929 493 HA GLU 61 HA GLU 61 8.509 -13.158 -4.475 494 1HB GLU 61 1HB GLU 61 8.342 -10.360 -3.726 495 2HB GLU 61 2HB GLU 61 9.512 -11.158 -2.693 496 1HG GLU 61 1HG GLU 61 10.179 -12.240 -5.141 497 2HG GLU 61 2HG GLU 61 9.608 -10.658 -5.634 498 HE2 GLU 61 HE2 GLU 61 12.268 -10.967 -5.934 499 H ARG 62 H ARG 62 10.272 -13.219 -2.376 500 HA ARG 62 HA ARG 62 10.736 -14.205 -0.512 501 1HB ARG 62 1HB ARG 62 8.030 -13.045 0.231 502 2HB ARG 62 2HB ARG 62 8.858 -14.087 1.371 503 1HG ARG 62 1HG ARG 62 10.598 -12.569 1.724 504 2HG ARG 62 2HG ARG 62 10.474 -11.881 0.116 505 1HD ARG 62 1HD ARG 62 8.085 -11.048 0.992 506 2HD ARG 62 2HD ARG 62 8.814 -11.271 2.570 507 HE ARG 62 HE ARG 62 10.257 -9.454 2.159 508 1HH1 ARG 62 1HH1 ARG 62 8.615 -10.372 -0.844 509 2HH1 ARG 62 2HH1 ARG 62 9.146 -8.968 -1.710 510 1HH2 ARG 62 1HH2 ARG 62 10.523 -7.354 -0.596 511 H GLU 63 H GLU 63 7.238 -14.902 -0.035 512 HA GLU 63 HA GLU 63 7.880 -17.705 -0.158 513 1HB GLU 63 1HB GLU 63 5.825 -16.024 1.124 514 2HB GLU 63 2HB GLU 63 5.147 -17.471 0.405 515 1HG GLU 63 1HG GLU 63 5.836 -18.587 2.261 516 2HG GLU 63 2HG GLU 63 7.471 -18.422 1.650 517 HE2 GLU 63 HE2 GLU 63 8.238 -15.705 2.609 518 H ALA 64 H ALA 64 7.668 -18.831 -2.039 519 HA ALA 64 HA ALA 64 5.346 -18.368 -3.684 520 1HB ALA 64 1HB ALA 64 8.146 -17.603 -4.499 521 2HB ALA 64 2HB ALA 64 7.010 -18.223 -5.720 522 3HB ALA 64 3HB ALA 64 6.610 -16.755 -4.796 523 H ARG 65 H ARG 65 5.575 -20.547 -2.207 524 HA ARG 65 HA ARG 65 7.242 -22.506 -3.319 525 1HB ARG 65 1HB ARG 65 5.023 -22.404 -1.294 526 2HB ARG 65 2HB ARG 65 5.346 -23.974 -2.003 527 1HG ARG 65 1HG ARG 65 7.013 -24.180 -0.470 528 2HG ARG 65 2HG ARG 65 7.915 -23.034 -1.442 529 1HD ARG 65 1HD ARG 65 6.557 -21.207 -0.076 530 2HD ARG 65 2HD ARG 65 6.279 -22.512 1.058 531 HE ARG 65 HE ARG 65 8.783 -21.108 0.628 532 1HH1 ARG 65 1HH1 ARG 65 7.442 -24.249 1.570 533 2HH1 ARG 65 2HH1 ARG 65 8.842 -24.714 2.478 534 1HH2 ARG 65 1HH2 ARG 65 10.704 -23.213 2.614 535 H GLU 66 H GLU 66 3.652 -21.911 -3.433 536 HA GLU 66 HA GLU 66 2.259 -22.181 -5.120 537 1HB GLU 66 1HB GLU 66 4.434 -22.088 -6.619 538 2HB GLU 66 2HB GLU 66 4.210 -23.821 -6.753 539 1HG GLU 66 1HG GLU 66 1.661 -23.039 -7.280 540 2HG GLU 66 2HG GLU 66 2.494 -21.592 -7.813 541 HE2 GLU 66 HE2 GLU 66 3.799 -21.733 -9.450 542 H ILE 67 H ILE 67 2.570 -23.883 -2.816 543 HA ILE 67 HA ILE 67 2.234 -25.974 -2.061 544 HB ILE 67 HB ILE 67 0.021 -24.810 -2.693 545 1HG1 ILE 67 1HG1 ILE 67 -0.802 -27.545 -2.420 546 2HG1 ILE 67 2HG1 ILE 67 0.669 -27.314 -1.495 547 1HG2 ILE 67 1HG2 ILE 67 -0.921 -25.232 -4.655 548 2HG2 ILE 67 2HG2 ILE 67 0.511 -26.184 -5.116 549 3HG2 ILE 67 3HG2 ILE 67 -0.877 -26.984 -4.339 550 1HD1 ILE 67 1HD1 ILE 67 -1.815 -26.683 -0.554 551 2HD1 ILE 67 2HD1 ILE 67 -0.327 -25.876 -0.001 552 3HD1 ILE 67 3HD1 ILE 67 -1.339 -25.116 -1.253 553 H LYS 68 H LYS 68 0.726 -28.071 -3.691 554 HA LYS 68 HA LYS 68 2.240 -28.745 -5.932 555 1HB LYS 68 1HB LYS 68 4.061 -28.946 -4.225 556 2HB LYS 68 2HB LYS 68 3.139 -30.209 -3.433 557 1HG LYS 68 1HG LYS 68 3.203 -31.601 -5.469 558 2HG LYS 68 2HG LYS 68 3.983 -30.314 -6.367 559 1HD LYS 68 1HD LYS 68 5.961 -30.434 -4.861 560 2HD LYS 68 2HD LYS 68 5.178 -31.680 -3.908 561 1HE LYS 68 1HE LYS 68 6.413 -33.048 -5.313 562 2HE LYS 68 2HE LYS 68 4.974 -32.896 -6.301 563 1HZ LYS 68 1HZ LYS 68 6.873 -30.761 -6.713 564 2HZ LYS 68 2HZ LYS 68 7.462 -32.224 -7.122 565 H SER 69 H SER 69 0.396 -29.809 -3.040 566 HA SER 69 HA SER 69 -1.298 -31.143 -2.807 567 1HB SER 69 1HB SER 69 -1.681 -30.805 -5.815 568 2HB SER 69 2HB SER 69 -2.878 -31.474 -4.725 569 HG SER 69 HG SER 69 -2.049 -29.089 -3.702 570 H ARG 70 H ARG 70 -2.280 -33.398 -3.549 571 HA ARG 70 HA ARG 70 -0.430 -34.950 -5.070 572 1HB ARG 70 1HB ARG 70 -0.473 -36.681 -3.019 573 2HB ARG 70 2HB ARG 70 0.747 -35.427 -3.112 574 1HG ARG 70 1HG ARG 70 -0.083 -34.311 -1.297 575 2HG ARG 70 2HG ARG 70 -1.744 -34.485 -1.830 576 1HD ARG 70 1HD ARG 70 -0.099 -36.693 -0.498 577 2HD ARG 70 2HD ARG 70 -1.295 -35.705 0.317 578 HE ARG 70 HE ARG 70 -2.568 -36.832 -1.956 579 1HH1 ARG 70 1HH1 ARG 70 -1.128 -37.950 1.083 580 2HH1 ARG 70 2HH1 ARG 70 -2.142 -39.350 1.192 581 1HH2 ARG 70 1HH2 ARG 70 -3.769 -39.758 -0.520 582 H ARG 71 H ARG 71 -1.476 -36.764 -6.005 583 HA ARG 71 HA ARG 71 -4.100 -37.379 -4.941 584 1HB ARG 71 1HB ARG 71 -4.960 -37.524 -7.339 585 2HB ARG 71 2HB ARG 71 -4.602 -35.897 -6.795 586 1HG ARG 71 1HG ARG 71 -2.241 -36.251 -7.840 587 2HG ARG 71 2HG ARG 71 -2.926 -37.659 -8.626 588 1HD ARG 71 1HD ARG 71 -4.198 -34.894 -8.844 589 2HD ARG 71 2HD ARG 71 -2.982 -35.457 -9.972 590 HE ARG 71 HE ARG 71 -5.760 -36.256 -9.915 591 1HH1 ARG 71 1HH1 ARG 71 -2.521 -37.501 -10.633 592 2HH1 ARG 71 2HH1 ARG 71 -3.094 -38.708 -11.736 593 1HH2 ARG 71 1HH2 ARG 71 -5.447 -38.893 -12.154 Start of MODEL 8 1 1H MET 1 1H MET 1 3.897 0.737 -23.440 2 HA MET 1 HA MET 1 6.304 -0.702 -24.214 3 1HB MET 1 1HB MET 1 5.461 2.223 -24.144 4 2HB MET 1 2HB MET 1 7.168 1.830 -24.142 5 1HG MET 1 1HG MET 1 5.448 0.447 -26.192 6 2HG MET 1 2HG MET 1 5.762 2.154 -26.435 7 1HE MET 1 1HE MET 1 6.692 -1.245 -26.341 8 2HE MET 1 2HE MET 1 8.137 -1.340 -27.376 9 3HE MET 1 3HE MET 1 8.314 -1.245 -25.607 10 H ALA 2 H ALA 2 5.412 -1.458 -21.721 11 HA ALA 2 HA ALA 2 7.569 -0.583 -20.075 12 1HB ALA 2 1HB ALA 2 6.178 0.304 -18.244 13 2HB ALA 2 2HB ALA 2 5.982 1.280 -19.719 14 3HB ALA 2 3HB ALA 2 4.722 0.114 -19.250 15 H GLU 3 H GLU 3 6.598 -1.523 -17.596 16 HA GLU 3 HA GLU 3 5.812 -4.242 -18.305 17 1HB GLU 3 1HB GLU 3 8.203 -4.205 -17.725 18 2HB GLU 3 2HB GLU 3 7.863 -3.362 -16.227 19 1HG GLU 3 1HG GLU 3 6.620 -5.281 -15.348 20 2HG GLU 3 2HG GLU 3 6.701 -6.105 -16.893 21 HE2 GLU 3 HE2 GLU 3 8.948 -7.529 -14.709 22 H ASP 4 H ASP 4 4.188 -5.175 -17.043 23 HA ASP 4 HA ASP 4 3.507 -3.871 -14.575 24 1HB ASP 4 1HB ASP 4 2.019 -3.483 -17.056 25 2HB ASP 4 2HB ASP 4 1.010 -4.322 -15.893 26 HD2 ASP 4 HD2 ASP 4 2.846 -0.965 -15.411 27 H GLU 5 H GLU 5 4.507 -6.537 -15.832 28 HA GLU 5 HA GLU 5 2.299 -8.296 -15.343 29 1HB GLU 5 1HB GLU 5 4.807 -8.405 -16.778 30 2HB GLU 5 2HB GLU 5 4.759 -9.743 -15.647 31 1HG GLU 5 1HG GLU 5 2.219 -9.256 -17.146 32 2HG GLU 5 2HG GLU 5 3.573 -9.781 -18.127 33 HE2 GLU 5 HE2 GLU 5 2.186 -12.855 -17.137 34 H GLY 6 H GLY 6 4.001 -6.536 -13.269 35 1HA GLY 6 1HA GLY 6 5.003 -8.576 -11.478 36 2HA GLY 6 2HA GLY 6 4.986 -6.841 -11.230 37 H TYR 7 H TYR 7 3.983 -6.633 -9.239 38 HA TYR 7 HA TYR 7 1.202 -7.546 -9.145 39 1HB TYR 7 1HB TYR 7 3.583 -8.051 -7.304 40 2HB TYR 7 2HB TYR 7 2.003 -7.891 -6.565 41 HD1 TYR 7 HD1 TYR 7 4.277 -10.111 -8.206 42 HD2 TYR 7 HD2 TYR 7 0.123 -9.460 -7.412 43 HE1 TYR 7 HE1 TYR 7 3.792 -12.558 -8.697 44 HE2 TYR 7 HE2 TYR 7 -0.348 -11.909 -7.907 45 HH TYR 7 HH TYR 7 0.816 -13.708 -9.353 46 HA PRO 8 HA PRO 8 1.455 -3.243 -7.923 47 1HB PRO 8 1HB PRO 8 -0.783 -2.400 -9.245 48 2HB PRO 8 2HB PRO 8 0.823 -2.344 -9.945 49 1HG PRO 8 1HG PRO 8 -1.386 -4.225 -10.518 50 2HG PRO 8 2HG PRO 8 0.040 -3.879 -11.478 51 1HD PRO 8 1HD PRO 8 -0.406 -6.189 -9.837 52 2HD PRO 8 2HD PRO 8 1.063 -5.788 -10.704 53 H ALA 9 H ALA 9 0.327 -1.946 -6.401 54 HA ALA 9 HA ALA 9 -2.075 -3.217 -5.361 55 1HB ALA 9 1HB ALA 9 -1.241 -3.542 -3.190 56 2HB ALA 9 2HB ALA 9 0.103 -4.090 -4.219 57 3HB ALA 9 3HB ALA 9 0.161 -2.480 -3.464 58 H GLU 10 H GLU 10 -3.416 -1.743 -4.164 59 HA GLU 10 HA GLU 10 -2.537 1.022 -4.490 60 1HB GLU 10 1HB GLU 10 -4.443 0.305 -5.984 61 2HB GLU 10 2HB GLU 10 -5.400 -0.028 -4.555 62 1HG GLU 10 1HG GLU 10 -4.833 2.446 -3.865 63 2HG GLU 10 2HG GLU 10 -4.368 2.654 -5.541 64 HE2 GLU 10 HE2 GLU 10 -5.804 2.827 -6.924 65 H VAL 11 H VAL 11 -2.932 2.492 -2.757 66 HA VAL 11 HA VAL 11 -2.965 1.292 -0.200 67 HB VAL 11 HB VAL 11 -3.186 4.160 -1.131 68 1HG1 VAL 11 1HG1 VAL 11 -2.273 3.448 1.629 69 2HG1 VAL 11 2HG1 VAL 11 -3.070 4.923 1.030 70 3HG1 VAL 11 3HG1 VAL 11 -4.019 3.439 1.287 71 1HG2 VAL 11 1HG2 VAL 11 -0.826 4.315 -0.631 72 2HG2 VAL 11 2HG2 VAL 11 -0.806 2.649 -0.005 73 3HG2 VAL 11 3HG2 VAL 11 -1.091 2.946 -1.737 74 H ILE 12 H ILE 12 -4.656 0.719 1.070 75 HA ILE 12 HA ILE 12 -7.302 1.573 0.168 76 HB ILE 12 HB ILE 12 -8.104 -0.310 1.552 77 1HG1 ILE 12 1HG1 ILE 12 -5.179 -1.041 1.868 78 2HG1 ILE 12 2HG1 ILE 12 -6.147 -0.304 3.129 79 1HG2 ILE 12 1HG2 ILE 12 -8.043 -1.450 -0.346 80 2HG2 ILE 12 2HG2 ILE 12 -6.759 -0.372 -0.946 81 3HG2 ILE 12 3HG2 ILE 12 -6.334 -1.864 -0.073 82 1HD1 ILE 12 1HD1 ILE 12 -5.978 -3.073 2.454 83 2HD1 ILE 12 2HD1 ILE 12 -7.014 -2.317 3.688 84 3HD1 ILE 12 3HD1 ILE 12 -7.623 -2.541 2.030 85 H GLU 13 H GLU 13 -5.084 1.474 2.995 86 HA GLU 13 HA GLU 13 -6.341 3.786 4.022 87 1HB GLU 13 1HB GLU 13 -7.967 2.165 4.870 88 2HB GLU 13 2HB GLU 13 -6.692 1.156 5.521 89 1HG GLU 13 1HG GLU 13 -6.311 2.550 7.334 90 2HG GLU 13 2HG GLU 13 -6.682 4.008 6.436 91 HE2 GLU 13 HE2 GLU 13 -7.868 1.864 8.619 92 H ILE 14 H ILE 14 -4.987 4.858 5.552 93 HA ILE 14 HA ILE 14 -2.339 3.647 5.748 94 HB ILE 14 HB ILE 14 -3.240 6.491 6.223 95 1HG1 ILE 14 1HG1 ILE 14 -1.545 5.930 3.893 96 2HG1 ILE 14 2HG1 ILE 14 -3.118 5.164 3.796 97 1HG2 ILE 14 1HG2 ILE 14 -1.290 6.508 7.366 98 2HG2 ILE 14 2HG2 ILE 14 -0.648 5.078 6.525 99 3HG2 ILE 14 3HG2 ILE 14 -0.603 6.671 5.733 100 1HD1 ILE 14 1HD1 ILE 14 -2.593 7.810 3.153 101 2HD1 ILE 14 2HD1 ILE 14 -4.203 7.152 3.527 102 3HD1 ILE 14 3HD1 ILE 14 -3.248 7.946 4.802 103 H ILE 15 H ILE 15 -1.369 3.141 7.698 104 HA ILE 15 HA ILE 15 -3.168 2.925 9.925 105 HB ILE 15 HB ILE 15 -0.252 2.180 9.676 106 1HG1 ILE 15 1HG1 ILE 15 -2.480 0.189 9.481 107 2HG1 ILE 15 2HG1 ILE 15 -2.102 1.156 8.069 108 1HG2 ILE 15 1HG2 ILE 15 -1.910 2.305 11.938 109 2HG2 ILE 15 2HG2 ILE 15 -1.822 0.582 11.497 110 3HG2 ILE 15 3HG2 ILE 15 -0.327 1.504 11.787 111 1HD1 ILE 15 1HD1 ILE 15 0.407 0.476 8.614 112 2HD1 ILE 15 2HD1 ILE 15 -0.367 -0.849 9.517 113 3HD1 ILE 15 3HD1 ILE 15 -0.665 -0.669 7.771 114 H GLY 16 H GLY 16 0.173 4.319 9.566 115 1HA GLY 16 1HA GLY 16 -0.203 6.863 10.319 116 2HA GLY 16 2HA GLY 16 -0.299 6.031 11.858 117 H ARG 17 H ARG 17 1.791 7.872 10.397 118 HA ARG 17 HA ARG 17 4.034 6.275 9.997 119 1HB ARG 17 1HB ARG 17 5.285 8.445 10.065 120 2HB ARG 17 2HB ARG 17 3.854 8.552 9.060 121 1HG ARG 17 1HG ARG 17 2.801 10.033 10.472 122 2HG ARG 17 2HG ARG 17 3.374 9.226 11.918 123 1HD ARG 17 1HD ARG 17 5.617 10.253 11.645 124 2HD ARG 17 2HD ARG 17 5.122 10.991 10.135 125 HE ARG 17 HE ARG 17 4.493 11.942 12.809 126 1HH1 ARG 17 1HH1 ARG 17 3.277 11.860 9.481 127 2HH1 ARG 17 2HH1 ARG 17 2.318 13.289 9.665 128 1HH2 ARG 17 1HH2 ARG 17 2.303 14.431 11.773 129 H THR 18 H THR 18 6.042 6.228 11.361 130 HA THR 18 HA THR 18 5.683 6.943 14.154 131 HB THR 18 HB THR 18 4.740 4.555 13.668 132 HG1 THR 18 HG1 THR 18 7.077 4.841 15.414 133 1HG2 THR 18 1HG2 THR 18 6.745 3.874 12.210 134 2HG2 THR 18 2HG2 THR 18 7.736 3.935 13.688 135 3HG2 THR 18 3HG2 THR 18 6.396 2.770 13.562 136 H GLY 19 H GLY 19 7.425 8.094 14.668 137 1HA GLY 19 1HA GLY 19 9.871 7.723 13.135 138 2HA GLY 19 2HA GLY 19 9.511 8.989 14.293 139 H THR 20 H THR 20 9.971 5.385 14.151 140 HA THR 20 HA THR 20 11.315 5.597 16.766 141 HB THR 20 HB THR 20 9.042 4.223 16.295 142 HG1 THR 20 HG1 THR 20 11.389 3.047 17.597 143 1HG2 THR 20 1HG2 THR 20 9.648 1.809 15.957 144 2HG2 THR 20 2HG2 THR 20 9.974 2.773 14.496 145 3HG2 THR 20 3HG2 THR 20 11.314 2.298 15.567 146 H THR 21 H THR 21 11.496 4.517 13.396 147 HA THR 21 HA THR 21 14.254 3.639 13.952 148 HB THR 21 HB THR 21 12.272 2.678 11.821 149 HG1 THR 21 HG1 THR 21 13.497 1.410 14.163 150 1HG2 THR 21 1HG2 THR 21 13.948 0.835 11.533 151 2HG2 THR 21 2HG2 THR 21 14.644 2.414 11.091 152 3HG2 THR 21 3HG2 THR 21 15.044 1.673 12.659 153 H GLY 22 H GLY 22 12.040 5.358 11.697 154 1HA GLY 22 1HA GLY 22 13.890 7.380 11.139 155 2HA GLY 22 2HA GLY 22 14.030 6.170 9.879 156 H ASP 23 H ASP 23 11.314 7.680 11.783 157 HA ASP 23 HA ASP 23 9.337 8.354 11.171 158 1HB ASP 23 1HB ASP 23 11.143 9.467 9.019 159 2HB ASP 23 2HB ASP 23 9.414 9.694 8.845 160 HD2 ASP 23 HD2 ASP 23 12.158 10.689 10.500 161 H VAL 24 H VAL 24 9.388 5.707 10.657 162 HA VAL 24 HA VAL 24 8.992 5.092 7.892 163 HB VAL 24 HB VAL 24 8.387 3.433 10.344 164 1HG1 VAL 24 1HG1 VAL 24 9.315 1.772 8.332 165 2HG1 VAL 24 2HG1 VAL 24 7.612 2.011 8.791 166 3HG1 VAL 24 3HG1 VAL 24 8.312 2.952 7.453 167 1HG2 VAL 24 1HG2 VAL 24 10.882 4.490 9.601 168 2HG2 VAL 24 2HG2 VAL 24 10.566 3.169 10.751 169 3HG2 VAL 24 3HG2 VAL 24 10.900 2.801 9.042 170 H THR 25 H THR 25 7.020 4.521 6.856 171 HA THR 25 HA THR 25 4.605 5.287 8.355 172 HB THR 25 HB THR 25 5.593 6.129 5.596 173 HG1 THR 25 HG1 THR 25 4.961 8.182 6.652 174 1HG2 THR 25 1HG2 THR 25 3.407 6.974 5.059 175 2HG2 THR 25 2HG2 THR 25 3.115 5.297 5.579 176 3HG2 THR 25 3HG2 THR 25 2.794 6.644 6.697 177 H GLN 26 H GLN 26 3.698 3.347 8.799 178 HA GLN 26 HA GLN 26 3.790 1.326 6.762 179 1HB GLN 26 1HB GLN 26 2.802 1.408 9.632 180 2HB GLN 26 2HB GLN 26 2.448 0.040 8.596 181 1HG GLN 26 1HG GLN 26 4.772 -0.499 8.315 182 2HG GLN 26 2HG GLN 26 5.294 1.066 8.909 183 1HE2 GLN 26 1HE2 GLN 26 5.532 1.433 11.039 184 2HE2 GLN 26 2HE2 GLN 26 5.308 0.253 12.287 185 H VAL 27 H VAL 27 2.219 1.062 5.236 186 HA VAL 27 HA VAL 27 -0.477 1.982 5.925 187 HB VAL 27 HB VAL 27 -0.730 2.970 3.748 188 1HG1 VAL 27 1HG1 VAL 27 1.678 4.440 4.165 189 2HG1 VAL 27 2HG1 VAL 27 0.020 4.862 4.656 190 3HG1 VAL 27 3HG1 VAL 27 1.066 3.934 5.759 191 1HG2 VAL 27 1HG2 VAL 27 0.685 1.516 2.419 192 2HG2 VAL 27 2HG2 VAL 27 1.200 3.205 2.197 193 3HG2 VAL 27 3HG2 VAL 27 2.142 2.118 3.246 194 H LYS 28 H LYS 28 -2.189 0.843 4.778 195 HA LYS 28 HA LYS 28 -1.282 -1.819 3.974 196 1HB LYS 28 1HB LYS 28 -3.679 -0.742 5.363 197 2HB LYS 28 2HB LYS 28 -3.957 -2.077 4.262 198 1HG LYS 28 1HG LYS 28 -1.860 -3.164 5.474 199 2HG LYS 28 2HG LYS 28 -2.212 -2.002 6.739 200 1HD LYS 28 1HD LYS 28 -4.643 -2.872 6.687 201 2HD LYS 28 2HD LYS 28 -4.066 -4.170 5.661 202 1HE LYS 28 1HE LYS 28 -2.373 -4.769 7.456 203 2HE LYS 28 2HE LYS 28 -3.087 -3.544 8.487 204 1HZ LYS 28 1HZ LYS 28 -5.254 -4.774 8.169 205 2HZ LYS 28 2HZ LYS 28 -4.424 -5.982 7.460 206 H VAL 29 H VAL 29 -1.598 -2.598 1.922 207 HA VAL 29 HA VAL 29 -3.252 -0.959 0.145 208 HB VAL 29 HB VAL 29 -1.541 -1.210 -1.606 209 1HG1 VAL 29 1HG1 VAL 29 -1.324 0.438 0.794 210 2HG1 VAL 29 2HG1 VAL 29 0.249 0.201 -0.004 211 3HG1 VAL 29 3HG1 VAL 29 -1.120 0.879 -0.918 212 1HG2 VAL 29 1HG2 VAL 29 0.231 -2.552 -1.403 213 2HG2 VAL 29 2HG2 VAL 29 0.741 -1.734 0.094 214 3HG2 VAL 29 3HG2 VAL 29 -0.412 -3.087 0.169 215 H ARG 30 H ARG 30 -4.198 -2.144 -1.628 216 HA ARG 30 HA ARG 30 -4.168 -5.002 -1.082 217 1HB ARG 30 1HB ARG 30 -6.447 -5.050 -2.090 218 2HB ARG 30 2HB ARG 30 -6.381 -3.935 -0.740 219 1HG ARG 30 1HG ARG 30 -6.283 -2.010 -2.198 220 2HG ARG 30 2HG ARG 30 -5.937 -2.998 -3.604 221 1HD ARG 30 1HD ARG 30 -8.155 -3.258 -4.017 222 2HD ARG 30 2HD ARG 30 -8.405 -3.947 -2.425 223 HE ARG 30 HE ARG 30 -8.130 -1.040 -2.347 224 1HH1 ARG 30 1HH1 ARG 30 -10.425 -3.685 -2.888 225 2HH1 ARG 30 2HH1 ARG 30 -11.811 -2.731 -2.476 226 1HH2 ARG 30 1HH2 ARG 30 -11.513 -0.440 -1.841 227 H ILE 31 H ILE 31 -4.213 -6.478 -2.958 228 HA ILE 31 HA ILE 31 -2.571 -5.557 -5.069 229 HB ILE 31 HB ILE 31 -3.989 -8.122 -4.426 230 1HG1 ILE 31 1HG1 ILE 31 -1.097 -7.238 -4.533 231 2HG1 ILE 31 2HG1 ILE 31 -2.023 -7.711 -3.122 232 1HG2 ILE 31 1HG2 ILE 31 -4.080 -7.808 -6.881 233 2HG2 ILE 31 2HG2 ILE 31 -2.308 -7.633 -6.899 234 3HG2 ILE 31 3HG2 ILE 31 -3.046 -9.170 -6.387 235 1HD1 ILE 31 1HD1 ILE 31 -0.751 -9.413 -5.214 236 2HD1 ILE 31 2HD1 ILE 31 -1.024 -9.747 -3.488 237 3HD1 ILE 31 3HD1 ILE 31 -2.352 -9.953 -4.655 238 H LEU 32 H LEU 32 -3.115 -4.575 -6.943 239 HA LEU 32 HA LEU 32 -5.813 -3.916 -7.435 240 1HB LEU 32 1HB LEU 32 -3.204 -3.528 -8.850 241 2HB LEU 32 2HB LEU 32 -4.702 -3.195 -9.698 242 HG LEU 32 HG LEU 32 -4.826 -1.921 -7.133 243 1HD1 LEU 32 1HD1 LEU 32 -2.229 -2.192 -7.567 244 2HD1 LEU 32 2HD1 LEU 32 -2.501 -0.790 -8.630 245 3HD1 LEU 32 3HD1 LEU 32 -2.916 -0.691 -6.901 246 1HD2 LEU 32 1HD2 LEU 32 -5.697 -0.240 -8.344 247 2HD2 LEU 32 2HD2 LEU 32 -4.372 -0.262 -9.533 248 3HD2 LEU 32 3HD2 LEU 32 -5.701 -1.439 -9.660 249 H GLU 33 H GLU 33 -3.526 -6.347 -8.790 250 HA GLU 33 HA GLU 33 -5.720 -7.966 -9.520 251 1HB GLU 33 1HB GLU 33 -4.932 -6.092 -11.470 252 2HB GLU 33 2HB GLU 33 -4.163 -7.583 -11.976 253 1HG GLU 33 1HG GLU 33 -6.681 -8.494 -11.274 254 2HG GLU 33 2HG GLU 33 -7.057 -6.888 -11.865 255 HE2 GLU 33 HE2 GLU 33 -7.267 -9.675 -12.974 256 H GLY 34 H GLY 34 -4.835 -10.029 -10.739 257 1HA GLY 34 1HA GLY 34 -2.407 -10.915 -11.127 258 2HA GLY 34 2HA GLY 34 -2.340 -10.759 -9.383 259 H ARG 35 H ARG 35 -3.099 -12.428 -8.126 260 HA ARG 35 HA ARG 35 -4.685 -14.411 -9.550 261 1HB ARG 35 1HB ARG 35 -2.226 -14.671 -8.100 262 2HB ARG 35 2HB ARG 35 -3.451 -15.455 -7.122 263 1HG ARG 35 1HG ARG 35 -2.711 -17.183 -8.567 264 2HG ARG 35 2HG ARG 35 -4.204 -16.644 -9.310 265 1HD ARG 35 1HD ARG 35 -1.820 -15.125 -10.222 266 2HD ARG 35 2HD ARG 35 -1.744 -16.833 -10.604 267 HE ARG 35 HE ARG 35 -3.626 -14.874 -11.714 268 1HH1 ARG 35 1HH1 ARG 35 -3.016 -18.321 -11.159 269 2HH1 ARG 35 2HH1 ARG 35 -4.076 -18.839 -12.426 270 1HH2 ARG 35 1HH2 ARG 35 -5.246 -17.198 -13.723 271 H ASP 36 H ASP 36 -4.248 -12.420 -6.630 272 HA ASP 36 HA ASP 36 -6.634 -13.612 -5.487 273 1HB ASP 36 1HB ASP 36 -4.500 -11.743 -4.370 274 2HB ASP 36 2HB ASP 36 -5.966 -12.120 -3.487 275 HD2 ASP 36 HD2 ASP 36 -2.848 -13.091 -3.915 276 H LYS 37 H LYS 37 -5.188 -10.656 -6.872 277 HA LYS 37 HA LYS 37 -5.963 -8.567 -7.109 278 1HB LYS 37 1HB LYS 37 -6.832 -9.561 -9.070 279 2HB LYS 37 2HB LYS 37 -8.137 -10.350 -8.208 280 1HG LYS 37 1HG LYS 37 -8.934 -7.950 -7.570 281 2HG LYS 37 2HG LYS 37 -7.823 -7.381 -8.800 282 1HD LYS 37 1HD LYS 37 -8.984 -8.592 -10.548 283 2HD LYS 37 2HD LYS 37 -9.921 -9.512 -9.387 284 1HE LYS 37 1HE LYS 37 -11.180 -7.541 -8.710 285 2HE LYS 37 2HE LYS 37 -10.106 -6.473 -9.591 286 1HZ LYS 37 1HZ LYS 37 -11.711 -6.717 -11.173 287 2HZ LYS 37 2HZ LYS 37 -10.909 -8.079 -11.565 288 H GLY 38 H GLY 38 -6.019 -7.763 -4.972 289 1HA GLY 38 1HA GLY 38 -7.746 -6.384 -3.837 290 2HA GLY 38 2HA GLY 38 -8.692 -7.854 -3.706 291 H ARG 39 H ARG 39 -5.719 -9.143 -3.447 292 HA ARG 39 HA ARG 39 -5.888 -9.728 -0.823 293 1HB ARG 39 1HB ARG 39 -4.373 -10.833 -2.504 294 2HB ARG 39 2HB ARG 39 -3.317 -9.435 -2.458 295 1HG ARG 39 1HG ARG 39 -2.215 -10.598 -0.823 296 2HG ARG 39 2HG ARG 39 -3.482 -9.992 0.225 297 1HD ARG 39 1HD ARG 39 -4.783 -12.173 -0.705 298 2HD ARG 39 2HD ARG 39 -3.146 -12.746 -0.952 299 HE ARG 39 HE ARG 39 -4.484 -12.459 1.590 300 1HH1 ARG 39 1HH1 ARG 39 -1.291 -12.133 0.089 301 2HH1 ARG 39 2HH1 ARG 39 -0.430 -12.437 1.561 302 1HH2 ARG 39 1HH2 ARG 39 -1.661 -12.862 3.573 303 H VAL 40 H VAL 40 -5.909 -8.343 0.925 304 HA VAL 40 HA VAL 40 -4.587 -5.793 0.721 305 HB VAL 40 HB VAL 40 -5.594 -5.425 2.938 306 1HG1 VAL 40 1HG1 VAL 40 -7.989 -5.583 2.194 307 2HG1 VAL 40 2HG1 VAL 40 -6.899 -4.812 1.016 308 3HG1 VAL 40 3HG1 VAL 40 -7.430 -6.493 0.771 309 1HG2 VAL 40 1HG2 VAL 40 -6.867 -8.161 2.649 310 2HG2 VAL 40 2HG2 VAL 40 -5.427 -7.851 3.649 311 3HG2 VAL 40 3HG2 VAL 40 -6.965 -7.042 4.030 312 H ILE 41 H ILE 41 -2.739 -5.132 1.826 313 HA ILE 41 HA ILE 41 -1.516 -7.027 3.652 314 HB ILE 41 HB ILE 41 0.641 -6.905 2.458 315 1HG1 ILE 41 1HG1 ILE 41 -0.869 -5.926 0.035 316 2HG1 ILE 41 2HG1 ILE 41 -0.097 -4.806 1.139 317 1HG2 ILE 41 1HG2 ILE 41 -1.047 -8.798 2.261 318 2HG2 ILE 41 2HG2 ILE 41 -1.476 -8.115 0.675 319 3HG2 ILE 41 3HG2 ILE 41 0.184 -8.681 0.980 320 1HD1 ILE 41 1HD1 ILE 41 1.124 -6.289 -0.969 321 2HD1 ILE 41 2HD1 ILE 41 1.924 -5.222 0.211 322 3HD1 ILE 41 3HD1 ILE 41 1.755 -6.960 0.554 323 H ARG 42 H ARG 42 0.659 -5.920 4.493 324 HA ARG 42 HA ARG 42 0.017 -3.095 4.791 325 1HB ARG 42 1HB ARG 42 -0.463 -4.278 6.895 326 2HB ARG 42 2HB ARG 42 1.104 -5.061 6.866 327 1HG ARG 42 1HG ARG 42 1.708 -2.309 6.664 328 2HG ARG 42 2HG ARG 42 0.385 -2.371 7.813 329 1HD ARG 42 1HD ARG 42 2.064 -4.525 8.563 330 2HD ARG 42 2HD ARG 42 3.174 -3.235 8.149 331 HE ARG 42 HE ARG 42 1.392 -1.879 9.693 332 1HH1 ARG 42 1HH1 ARG 42 2.985 -5.000 10.222 333 2HH1 ARG 42 2HH1 ARG 42 2.964 -4.858 11.948 334 1HH2 ARG 42 1HH2 ARG 42 2.006 -2.905 12.954 335 H ARG 43 H ARG 43 1.548 -2.116 3.456 336 HA ARG 43 HA ARG 43 4.235 -3.179 3.575 337 1HB ARG 43 1HB ARG 43 2.600 -2.041 1.494 338 2HB ARG 43 2HB ARG 43 3.962 -0.961 1.721 339 1HG ARG 43 1HG ARG 43 5.108 -3.542 1.814 340 2HG ARG 43 2HG ARG 43 3.901 -3.656 0.547 341 1HD ARG 43 1HD ARG 43 4.861 -1.612 -0.546 342 2HD ARG 43 2HD ARG 43 6.069 -1.505 0.718 343 HE ARG 43 HE ARG 43 6.130 -3.289 -1.554 344 1HH1 ARG 43 1HH1 ARG 43 7.039 -3.112 1.867 345 2HH1 ARG 43 2HH1 ARG 43 8.314 -4.275 1.716 346 1HH2 ARG 43 1HH2 ARG 43 8.752 -5.267 -0.421 347 H ASN 44 H ASN 44 6.027 -1.888 4.244 348 HA ASN 44 HA ASN 44 5.216 0.550 5.602 349 1HB ASN 44 1HB ASN 44 7.444 0.251 6.821 350 2HB ASN 44 2HB ASN 44 6.286 -1.031 7.110 351 1HD2 ASN 44 1HD2 ASN 44 6.585 -3.060 6.252 352 2HD2 ASN 44 2HD2 ASN 44 8.083 -3.605 5.574 353 H VAL 45 H VAL 45 5.709 2.405 4.420 354 HA VAL 45 HA VAL 45 8.167 2.328 2.808 355 HB VAL 45 HB VAL 45 6.999 3.968 1.332 356 1HG1 VAL 45 1HG1 VAL 45 7.201 1.670 0.624 357 2HG1 VAL 45 2HG1 VAL 45 5.800 1.193 1.614 358 3HG1 VAL 45 3HG1 VAL 45 5.573 2.251 0.201 359 1HG2 VAL 45 1HG2 VAL 45 5.065 3.937 3.401 360 2HG2 VAL 45 2HG2 VAL 45 5.010 4.828 1.862 361 3HG2 VAL 45 3HG2 VAL 45 4.296 3.203 1.974 362 H ARG 46 H ARG 46 8.695 4.867 2.266 363 HA ARG 46 HA ARG 46 8.838 6.039 4.917 364 1HB ARG 46 1HB ARG 46 10.518 6.731 2.457 365 2HB ARG 46 2HB ARG 46 10.824 7.245 4.104 366 1HG ARG 46 1HG ARG 46 11.375 5.003 4.814 367 2HG ARG 46 2HG ARG 46 10.715 4.296 3.353 368 1HD ARG 46 1HD ARG 46 12.694 6.190 2.508 369 2HD ARG 46 2HD ARG 46 13.405 5.290 3.833 370 HE ARG 46 HE ARG 46 12.148 3.378 2.179 371 1HH1 ARG 46 1HH1 ARG 46 14.776 5.736 1.882 372 2HH1 ARG 46 2HH1 ARG 46 15.632 4.817 0.688 373 1HH2 ARG 46 1HH2 ARG 46 14.732 2.721 -0.049 374 H GLY 47 H GLY 47 8.071 8.162 5.290 375 1HA GLY 47 1HA GLY 47 7.264 10.238 4.758 376 2HA GLY 47 2HA GLY 47 7.320 9.844 3.050 377 HA PRO 48 HA PRO 48 3.006 9.413 4.679 378 1HB PRO 48 1HB PRO 48 1.881 11.746 3.808 379 2HB PRO 48 2HB PRO 48 2.462 11.515 5.445 380 1HG PRO 48 1HG PRO 48 3.695 13.051 3.241 381 2HG PRO 48 2HG PRO 48 4.015 13.149 4.961 382 1HD PRO 48 1HD PRO 48 5.643 11.860 2.983 383 2HD PRO 48 2HD PRO 48 5.903 11.858 4.715 384 H VAL 49 H VAL 49 0.858 9.432 3.407 385 HA VAL 49 HA VAL 49 1.388 9.315 0.561 386 HB VAL 49 HB VAL 49 1.868 7.055 1.831 387 1HG1 VAL 49 1HG1 VAL 49 -0.992 6.461 1.217 388 2HG1 VAL 49 2HG1 VAL 49 0.102 5.727 2.414 389 3HG1 VAL 49 3HG1 VAL 49 -0.635 7.313 2.739 390 1HG2 VAL 49 1HG2 VAL 49 1.995 6.281 -0.260 391 2HG2 VAL 49 2HG2 VAL 49 0.226 6.349 -0.458 392 3HG2 VAL 49 3HG2 VAL 49 1.215 7.789 -0.797 393 H ARG 50 H ARG 50 -1.041 8.076 -0.190 394 HA ARG 50 HA ARG 50 -3.124 9.305 1.300 395 1HB ARG 50 1HB ARG 50 -2.379 11.244 -0.043 396 2HB ARG 50 2HB ARG 50 -2.447 10.296 -1.514 397 1HG ARG 50 1HG ARG 50 -4.645 10.785 -1.767 398 2HG ARG 50 2HG ARG 50 -5.010 10.068 -0.210 399 1HD ARG 50 1HD ARG 50 -5.515 12.151 0.545 400 2HD ARG 50 2HD ARG 50 -3.810 12.539 0.447 401 HE ARG 50 HE ARG 50 -4.227 13.795 -1.487 402 1HH1 ARG 50 1HH1 ARG 50 -7.004 11.679 -0.876 403 2HH1 ARG 50 2HH1 ARG 50 -7.980 12.398 -2.113 404 1HH2 ARG 50 1HH2 ARG 50 -7.085 14.197 -3.419 405 H VAL 51 H VAL 51 -5.168 8.335 0.803 406 HA VAL 51 HA VAL 51 -5.155 5.809 -0.245 407 HB VAL 51 HB VAL 51 -7.344 7.860 0.073 408 1HG1 VAL 51 1HG1 VAL 51 -8.327 6.481 -1.523 409 2HG1 VAL 51 2HG1 VAL 51 -7.490 5.025 -0.933 410 3HG1 VAL 51 3HG1 VAL 51 -8.835 5.720 0.004 411 1HG2 VAL 51 1HG2 VAL 51 -7.723 6.964 2.154 412 2HG2 VAL 51 2HG2 VAL 51 -7.094 5.361 1.704 413 3HG2 VAL 51 3HG2 VAL 51 -5.968 6.703 2.022 414 H GLY 52 H GLY 52 -4.769 5.053 -2.255 415 1HA GLY 52 1HA GLY 52 -5.848 5.171 -4.526 416 2HA GLY 52 2HA GLY 52 -5.366 6.856 -4.521 417 H ASP 53 H ASP 53 -2.810 6.429 -3.074 418 HA ASP 53 HA ASP 53 -1.073 6.319 -5.048 419 1HB ASP 53 1HB ASP 53 -0.823 6.451 -2.382 420 2HB ASP 53 2HB ASP 53 -0.364 4.768 -2.552 421 HD2 ASP 53 HD2 ASP 53 1.977 5.785 -4.998 422 H ILE 54 H ILE 54 0.337 4.623 -6.010 423 HA ILE 54 HA ILE 54 -0.611 1.889 -5.596 424 HB ILE 54 HB ILE 54 -0.465 3.391 -8.196 425 1HG1 ILE 54 1HG1 ILE 54 -2.659 1.505 -7.673 426 2HG1 ILE 54 2HG1 ILE 54 -2.568 2.808 -6.505 427 1HG2 ILE 54 1HG2 ILE 54 -0.647 1.295 -9.402 428 2HG2 ILE 54 2HG2 ILE 54 0.853 1.322 -8.442 429 3HG2 ILE 54 3HG2 ILE 54 -0.548 0.378 -7.880 430 1HD1 ILE 54 1HD1 ILE 54 -2.657 4.498 -8.258 431 2HD1 ILE 54 2HD1 ILE 54 -2.497 3.255 -9.522 432 3HD1 ILE 54 3HD1 ILE 54 -3.980 3.339 -8.539 433 H LEU 55 H LEU 55 0.995 0.273 -5.913 434 HA LEU 55 HA LEU 55 3.596 1.055 -6.815 435 1HB LEU 55 1HB LEU 55 3.781 1.979 -4.632 436 2HB LEU 55 2HB LEU 55 3.082 0.553 -3.887 437 HG LEU 55 HG LEU 55 5.404 -0.263 -5.348 438 1HD1 LEU 55 1HD1 LEU 55 5.944 2.227 -5.066 439 2HD1 LEU 55 2HD1 LEU 55 6.111 1.864 -3.330 440 3HD1 LEU 55 3HD1 LEU 55 7.157 1.046 -4.516 441 1HD2 LEU 55 1HD2 LEU 55 4.135 -0.967 -3.062 442 2HD2 LEU 55 2HD2 LEU 55 5.785 -1.479 -3.492 443 3HD2 LEU 55 3HD2 LEU 55 5.538 -0.095 -2.400 444 H ILE 56 H ILE 56 4.873 -0.763 -7.360 445 HA ILE 56 HA ILE 56 3.376 -3.279 -7.186 446 HB ILE 56 HB ILE 56 5.535 -2.506 -9.149 447 1HG1 ILE 56 1HG1 ILE 56 2.603 -1.984 -9.143 448 2HG1 ILE 56 2HG1 ILE 56 3.915 -1.046 -9.829 449 1HG2 ILE 56 1HG2 ILE 56 5.119 -4.957 -8.651 450 2HG2 ILE 56 2HG2 ILE 56 3.502 -4.732 -9.360 451 3HG2 ILE 56 3HG2 ILE 56 4.954 -4.456 -10.351 452 1HD1 ILE 56 1HD1 ILE 56 2.572 -2.037 -11.633 453 2HD1 ILE 56 2HD1 ILE 56 4.193 -2.771 -11.630 454 3HD1 ILE 56 3HD1 ILE 56 2.811 -3.663 -10.950 455 H LEU 57 H LEU 57 4.584 -5.258 -6.752 456 HA LEU 57 HA LEU 57 7.230 -4.839 -5.613 457 1HB LEU 57 1HB LEU 57 6.508 -6.221 -3.617 458 2HB LEU 57 2HB LEU 57 6.029 -4.536 -3.660 459 HG LEU 57 HG LEU 57 4.308 -6.242 -2.857 460 1HD1 LEU 57 1HD1 LEU 57 2.478 -4.975 -3.696 461 2HD1 LEU 57 2HD1 LEU 57 3.858 -3.861 -3.535 462 3HD1 LEU 57 3HD1 LEU 57 3.395 -4.478 -5.139 463 1HD2 LEU 57 1HD2 LEU 57 3.172 -7.622 -4.336 464 2HD2 LEU 57 2HD2 LEU 57 3.739 -6.731 -5.769 465 3HD2 LEU 57 3HD2 LEU 57 4.864 -7.778 -4.869 466 H ARG 58 H ARG 58 8.488 -6.812 -5.490 467 HA ARG 58 HA ARG 58 7.273 -8.936 -7.069 468 1HB ARG 58 1HB ARG 58 9.066 -7.590 -8.287 469 2HB ARG 58 2HB ARG 58 10.222 -8.121 -7.083 470 1HG ARG 58 1HG ARG 58 8.563 -10.081 -8.729 471 2HG ARG 58 2HG ARG 58 10.123 -9.492 -9.266 472 1HD ARG 58 1HD ARG 58 10.663 -10.275 -6.641 473 2HD ARG 58 2HD ARG 58 9.487 -11.471 -7.149 474 HE ARG 58 HE ARG 58 11.438 -11.120 -9.233 475 1HH1 ARG 58 1HH1 ARG 58 11.104 -12.541 -6.004 476 2HH1 ARG 58 2HH1 ARG 58 12.337 -13.729 -6.265 477 1HH2 ARG 58 1HH2 ARG 58 13.476 -13.797 -8.372 478 H GLU 59 H GLU 59 10.265 -8.320 -5.073 479 HA GLU 59 HA GLU 59 10.783 -10.785 -4.252 480 1HB GLU 59 1HB GLU 59 11.628 -8.267 -3.533 481 2HB GLU 59 2HB GLU 59 10.883 -8.795 -2.038 482 1HG GLU 59 1HG GLU 59 12.916 -9.784 -1.655 483 2HG GLU 59 2HG GLU 59 12.279 -11.061 -2.671 484 HE2 GLU 59 HE2 GLU 59 15.192 -10.861 -3.771 485 H THR 60 H THR 60 8.334 -8.569 -2.765 486 HA THR 60 HA THR 60 6.766 -8.944 -1.208 487 HB THR 60 HB THR 60 5.225 -10.795 -1.882 488 HG1 THR 60 HG1 THR 60 7.261 -11.449 -3.847 489 1HG2 THR 60 1HG2 THR 60 5.719 -10.384 -4.589 490 2HG2 THR 60 2HG2 THR 60 4.736 -9.305 -3.571 491 3HG2 THR 60 3HG2 THR 60 6.454 -8.939 -3.856 492 H GLU 61 H GLU 61 9.398 -9.640 -0.315 493 HA GLU 61 HA GLU 61 9.683 -12.086 0.771 494 1HB GLU 61 1HB GLU 61 10.416 -9.420 2.060 495 2HB GLU 61 2HB GLU 61 11.095 -10.971 2.508 496 1HG GLU 61 1HG GLU 61 11.761 -11.196 -0.011 497 2HG GLU 61 2HG GLU 61 11.414 -9.482 -0.126 498 HE2 GLU 61 HE2 GLU 61 12.628 -8.232 1.748 499 H ARG 62 H ARG 62 9.593 -12.595 3.279 500 HA ARG 62 HA ARG 62 7.206 -11.458 4.434 501 1HB ARG 62 1HB ARG 62 6.741 -13.679 3.100 502 2HB ARG 62 2HB ARG 62 7.578 -14.481 4.413 503 1HG ARG 62 1HG ARG 62 5.553 -12.539 5.361 504 2HG ARG 62 2HG ARG 62 4.863 -13.811 4.374 505 1HD ARG 62 1HD ARG 62 6.461 -15.355 5.926 506 2HD ARG 62 2HD ARG 62 6.255 -14.015 7.036 507 HE ARG 62 HE ARG 62 4.044 -14.687 7.376 508 1HH1 ARG 62 1HH1 ARG 62 5.174 -16.073 4.317 509 2HH1 ARG 62 2HH1 ARG 62 3.739 -17.008 4.068 510 1HH2 ARG 62 1HH2 ARG 62 1.973 -16.904 5.685 511 H GLU 63 H GLU 63 7.336 -11.326 6.711 512 HA GLU 63 HA GLU 63 9.047 -13.004 8.173 513 1HB GLU 63 1HB GLU 63 10.583 -11.204 6.984 514 2HB GLU 63 2HB GLU 63 9.976 -10.126 8.225 515 1HG GLU 63 1HG GLU 63 10.726 -12.642 9.462 516 2HG GLU 63 2HG GLU 63 12.054 -12.091 8.459 517 HE2 GLU 63 HE2 GLU 63 12.903 -10.771 11.349 518 H ALA 64 H ALA 64 7.579 -13.335 9.800 519 HA ALA 64 HA ALA 64 7.000 -11.240 11.591 520 1HB ALA 64 1HB ALA 64 5.314 -10.351 10.304 521 2HB ALA 64 2HB ALA 64 5.000 -11.886 9.460 522 3HB ALA 64 3HB ALA 64 4.389 -11.639 11.112 523 H ARG 65 H ARG 65 7.589 -12.552 13.285 524 HA ARG 65 HA ARG 65 6.997 -15.270 13.318 525 1HB ARG 65 1HB ARG 65 8.858 -14.185 14.612 526 2HB ARG 65 2HB ARG 65 7.679 -13.397 15.642 527 1HG ARG 65 1HG ARG 65 7.527 -15.243 16.949 528 2HG ARG 65 2HG ARG 65 7.051 -16.218 15.571 529 1HD ARG 65 1HD ARG 65 9.134 -17.142 15.363 530 2HD ARG 65 2HD ARG 65 9.936 -15.593 15.531 531 HE ARG 65 HE ARG 65 9.561 -17.542 17.618 532 1HH1 ARG 65 1HH1 ARG 65 9.574 -14.036 17.100 533 2HH1 ARG 65 2HH1 ARG 65 10.031 -13.673 18.731 534 1HH2 ARG 65 1HH2 ARG 65 10.373 -15.466 20.282 535 H GLU 66 H GLU 66 5.596 -12.427 15.104 536 HA GLU 66 HA GLU 66 3.582 -12.055 15.852 537 1HB GLU 66 1HB GLU 66 3.077 -14.118 13.901 538 2HB GLU 66 2HB GLU 66 2.062 -14.433 15.294 539 1HG GLU 66 1HG GLU 66 1.303 -12.013 15.227 540 2HG GLU 66 2HG GLU 66 2.236 -11.798 13.758 541 HE2 GLU 66 HE2 GLU 66 -0.765 -11.799 14.030 542 H ILE 67 H ILE 67 4.989 -12.455 17.865 543 HA ILE 67 HA ILE 67 4.261 -14.917 19.244 544 HB ILE 67 HB ILE 67 6.634 -13.736 19.011 545 1HG1 ILE 67 1HG1 ILE 67 7.260 -14.920 21.159 546 2HG1 ILE 67 2HG1 ILE 67 5.556 -15.249 21.403 547 1HG2 ILE 67 1HG2 ILE 67 7.192 -12.512 21.075 548 2HG2 ILE 67 2HG2 ILE 67 5.996 -11.651 20.077 549 3HG2 ILE 67 3HG2 ILE 67 5.473 -12.526 21.535 550 1HD1 ILE 67 1HD1 ILE 67 6.364 -15.931 18.671 551 2HD1 ILE 67 2HD1 ILE 67 7.356 -16.784 19.877 552 3HD1 ILE 67 3HD1 ILE 67 5.584 -16.950 19.904 553 H LYS 68 H LYS 68 3.634 -14.700 21.614 554 HA LYS 68 HA LYS 68 2.559 -12.274 22.537 555 1HB LYS 68 1HB LYS 68 0.246 -12.527 22.246 556 2HB LYS 68 2HB LYS 68 0.932 -12.863 20.668 557 1HG LYS 68 1HG LYS 68 0.899 -15.356 22.078 558 2HG LYS 68 2HG LYS 68 -0.658 -14.605 22.369 559 1HD LYS 68 1HD LYS 68 -1.070 -14.359 19.970 560 2HD LYS 68 2HD LYS 68 0.565 -14.860 19.583 561 1HE LYS 68 1HE LYS 68 -0.093 -17.030 19.549 562 2HE LYS 68 2HE LYS 68 -0.578 -16.924 21.231 563 1HZ LYS 68 1HZ LYS 68 -2.241 -16.939 18.913 564 2HZ LYS 68 2HZ LYS 68 -2.670 -17.145 20.471 565 H SER 69 H SER 69 4.367 -14.311 23.430 566 HA SER 69 HA SER 69 2.793 -15.784 25.356 567 1HB SER 69 1HB SER 69 4.959 -16.531 23.860 568 2HB SER 69 2HB SER 69 5.772 -16.024 25.328 569 HG SER 69 HG SER 69 3.531 -17.577 25.878 570 H ARG 70 H ARG 70 2.230 -14.429 27.062 571 HA ARG 70 HA ARG 70 4.395 -13.511 28.660 572 1HB ARG 70 1HB ARG 70 3.489 -11.670 26.823 573 2HB ARG 70 2HB ARG 70 2.405 -11.329 28.157 574 1HG ARG 70 1HG ARG 70 4.046 -10.210 29.244 575 2HG ARG 70 2HG ARG 70 5.048 -11.647 29.258 576 1HD ARG 70 1HD ARG 70 5.053 -10.492 26.581 577 2HD ARG 70 2HD ARG 70 5.463 -9.253 27.751 578 HE ARG 70 HE ARG 70 7.036 -11.660 27.116 579 1HH1 ARG 70 1HH1 ARG 70 6.524 -9.023 29.428 580 2HH1 ARG 70 2HH1 ARG 70 8.109 -9.151 30.113 581 1HH2 ARG 70 1HH2 ARG 70 9.624 -10.807 29.271 582 H ARG 71 H ARG 71 3.324 -12.251 30.700 583 HA ARG 71 HA ARG 71 0.629 -12.932 31.182 584 1HB ARG 71 1HB ARG 71 1.035 -14.471 33.097 585 2HB ARG 71 2HB ARG 71 1.648 -15.155 31.605 586 1HG ARG 71 1HG ARG 71 3.947 -14.383 32.175 587 2HG ARG 71 2HG ARG 71 3.348 -13.645 33.648 588 1HD ARG 71 1HD ARG 71 2.514 -15.952 34.371 589 2HD ARG 71 2HD ARG 71 3.323 -16.624 32.969 590 HE ARG 71 HE ARG 71 5.217 -15.016 34.365 591 1HH1 ARG 71 1HH1 ARG 71 3.405 -18.022 34.846 592 2HH1 ARG 71 2HH1 ARG 71 4.599 -18.720 35.890 593 1HH2 ARG 71 1HH2 ARG 71 6.581 -17.475 36.403 Start of MODEL 9 1 1H MET 1 1H MET 1 8.715 -7.784 -22.938 2 HA MET 1 HA MET 1 7.574 -7.172 -25.345 3 1HB MET 1 1HB MET 1 8.961 -9.606 -25.556 4 2HB MET 1 2HB MET 1 7.329 -10.138 -25.201 5 1HG MET 1 1HG MET 1 6.427 -9.114 -27.155 6 2HG MET 1 2HG MET 1 7.792 -8.028 -27.334 7 1HE MET 1 1HE MET 1 8.977 -9.718 -30.358 8 2HE MET 1 2HE MET 1 7.232 -9.465 -30.115 9 3HE MET 1 3HE MET 1 8.399 -8.272 -29.495 10 H ALA 2 H ALA 2 7.089 -6.792 -22.559 11 HA ALA 2 HA ALA 2 4.421 -7.943 -22.414 12 1HB ALA 2 1HB ALA 2 5.116 -8.209 -19.819 13 2HB ALA 2 2HB ALA 2 5.289 -9.528 -21.002 14 3HB ALA 2 3HB ALA 2 6.698 -8.529 -20.571 15 H GLU 3 H GLU 3 6.007 -6.487 -19.619 16 HA GLU 3 HA GLU 3 5.468 -3.830 -20.316 17 1HB GLU 3 1HB GLU 3 3.124 -5.032 -19.795 18 2HB GLU 3 2HB GLU 3 3.595 -4.725 -18.135 19 1HG GLU 3 1HG GLU 3 2.889 -2.776 -20.304 20 2HG GLU 3 2HG GLU 3 2.504 -2.725 -18.595 21 HE2 GLU 3 HE2 GLU 3 4.632 -1.086 -20.720 22 H ASP 4 H ASP 4 4.612 -3.458 -17.283 23 HA ASP 4 HA ASP 4 7.017 -4.356 -16.005 24 1HB ASP 4 1HB ASP 4 6.694 -1.645 -17.011 25 2HB ASP 4 2HB ASP 4 6.749 -1.600 -15.260 26 HD2 ASP 4 HD2 ASP 4 8.739 -3.266 -14.579 27 H GLU 5 H GLU 5 3.917 -4.532 -15.960 28 HA GLU 5 HA GLU 5 3.539 -3.507 -13.256 29 1HB GLU 5 1HB GLU 5 1.065 -4.306 -14.576 30 2HB GLU 5 2HB GLU 5 1.499 -2.757 -13.881 31 1HG GLU 5 1HG GLU 5 2.932 -2.394 -16.032 32 2HG GLU 5 2HG GLU 5 2.057 -3.757 -16.701 33 HE2 GLU 5 HE2 GLU 5 -0.534 -2.203 -17.610 34 H GLY 6 H GLY 6 4.136 -5.205 -11.923 35 1HA GLY 6 1HA GLY 6 3.415 -7.929 -12.641 36 2HA GLY 6 2HA GLY 6 4.377 -7.396 -11.276 37 H TYR 7 H TYR 7 3.280 -6.441 -9.374 38 HA TYR 7 HA TYR 7 0.430 -7.157 -9.262 39 1HB TYR 7 1HB TYR 7 2.824 -7.688 -7.418 40 2HB TYR 7 2HB TYR 7 1.200 -7.685 -6.759 41 HD1 TYR 7 HD1 TYR 7 3.126 -9.239 -9.585 42 HD2 TYR 7 HD2 TYR 7 0.062 -9.706 -6.635 43 HE1 TYR 7 HE1 TYR 7 2.842 -11.674 -10.255 44 HE2 TYR 7 HE2 TYR 7 -0.213 -12.140 -7.317 45 HH TYR 7 HH TYR 7 0.829 -13.834 -8.393 46 HA PRO 8 HA PRO 8 0.762 -2.910 -7.933 47 1HB PRO 8 1HB PRO 8 -1.616 -2.069 -8.983 48 2HB PRO 8 2HB PRO 8 -0.101 -1.988 -9.859 49 1HG PRO 8 1HG PRO 8 -2.345 -3.879 -10.210 50 2HG PRO 8 2HG PRO 8 -1.039 -3.508 -11.317 51 1HD PRO 8 1HD PRO 8 -1.282 -5.845 -9.672 52 2HD PRO 8 2HD PRO 8 0.078 -5.418 -10.692 53 H ALA 9 H ALA 9 -0.031 -1.768 -6.169 54 HA ALA 9 HA ALA 9 -2.300 -3.110 -4.885 55 1HB ALA 9 1HB ALA 9 -1.150 -3.046 -2.748 56 2HB ALA 9 2HB ALA 9 -0.116 -3.895 -3.922 57 3HB ALA 9 3HB ALA 9 0.243 -2.210 -3.474 58 H GLU 10 H GLU 10 -3.889 -1.677 -4.401 59 HA GLU 10 HA GLU 10 -3.147 1.125 -4.511 60 1HB GLU 10 1HB GLU 10 -4.983 0.216 -6.006 61 2HB GLU 10 2HB GLU 10 -5.930 -0.118 -4.570 62 1HG GLU 10 1HG GLU 10 -5.532 2.408 -3.974 63 2HG GLU 10 2HG GLU 10 -5.050 2.584 -5.650 64 HE2 GLU 10 HE2 GLU 10 -8.134 2.626 -6.873 65 H VAL 11 H VAL 11 -3.145 2.395 -2.690 66 HA VAL 11 HA VAL 11 -3.293 1.299 -0.175 67 HB VAL 11 HB VAL 11 -3.692 4.138 -1.134 68 1HG1 VAL 11 1HG1 VAL 11 -4.585 3.600 1.213 69 2HG1 VAL 11 2HG1 VAL 11 -2.885 3.337 1.668 70 3HG1 VAL 11 3HG1 VAL 11 -3.410 4.928 1.068 71 1HG2 VAL 11 1HG2 VAL 11 -1.365 4.449 -0.730 72 2HG2 VAL 11 2HG2 VAL 11 -1.222 2.873 0.085 73 3HG2 VAL 11 3HG2 VAL 11 -1.519 2.944 -1.669 74 H ILE 12 H ILE 12 -4.907 0.808 1.254 75 HA ILE 12 HA ILE 12 -7.620 1.543 0.397 76 HB ILE 12 HB ILE 12 -8.363 -0.488 1.548 77 1HG1 ILE 12 1HG1 ILE 12 -6.025 -2.030 1.746 78 2HG1 ILE 12 2HG1 ILE 12 -5.621 -0.505 2.508 79 1HG2 ILE 12 1HG2 ILE 12 -7.954 -1.888 -0.231 80 2HG2 ILE 12 2HG2 ILE 12 -7.555 -0.305 -0.940 81 3HG2 ILE 12 3HG2 ILE 12 -6.254 -1.384 -0.385 82 1HD1 ILE 12 1HD1 ILE 12 -7.919 -2.376 3.195 83 2HD1 ILE 12 2HD1 ILE 12 -6.577 -1.853 4.241 84 3HD1 ILE 12 3HD1 ILE 12 -7.855 -0.699 3.787 85 H GLU 13 H GLU 13 -5.239 1.345 3.051 86 HA GLU 13 HA GLU 13 -6.611 3.420 4.391 87 1HB GLU 13 1HB GLU 13 -8.007 1.583 5.200 88 2HB GLU 13 2HB GLU 13 -6.597 0.641 5.641 89 1HG GLU 13 1HG GLU 13 -5.991 2.196 7.403 90 2HG GLU 13 2HG GLU 13 -7.142 3.391 6.838 91 HE2 GLU 13 HE2 GLU 13 -6.903 1.984 9.323 92 H ILE 14 H ILE 14 -5.237 4.476 5.916 93 HA ILE 14 HA ILE 14 -2.473 3.596 5.728 94 HB ILE 14 HB ILE 14 -3.678 6.162 6.770 95 1HG1 ILE 14 1HG1 ILE 14 -4.111 5.815 4.372 96 2HG1 ILE 14 2HG1 ILE 14 -3.024 7.159 4.666 97 1HG2 ILE 14 1HG2 ILE 14 -1.585 5.929 7.819 98 2HG2 ILE 14 2HG2 ILE 14 -0.827 5.263 6.353 99 3HG2 ILE 14 3HG2 ILE 14 -1.291 6.980 6.413 100 1HD1 ILE 14 1HD1 ILE 14 -1.128 5.310 4.371 101 2HD1 ILE 14 2HD1 ILE 14 -2.416 4.443 3.499 102 3HD1 ILE 14 3HD1 ILE 14 -1.895 6.053 2.946 103 H ILE 15 H ILE 15 -1.127 3.281 7.586 104 HA ILE 15 HA ILE 15 -2.676 2.352 9.869 105 HB ILE 15 HB ILE 15 0.187 1.921 9.015 106 1HG1 ILE 15 1HG1 ILE 15 -0.925 -0.530 9.081 107 2HG1 ILE 15 2HG1 ILE 15 -2.356 0.405 8.695 108 1HG2 ILE 15 1HG2 ILE 15 -0.139 2.027 11.513 109 2HG2 ILE 15 2HG2 ILE 15 -1.215 0.617 11.357 110 3HG2 ILE 15 3HG2 ILE 15 0.497 0.488 10.884 111 1HD1 ILE 15 1HD1 ILE 15 -0.486 -0.456 6.847 112 2HD1 ILE 15 2HD1 ILE 15 -1.628 0.884 6.585 113 3HD1 ILE 15 3HD1 ILE 15 0.030 1.223 7.138 114 H GLY 16 H GLY 16 0.531 4.018 9.484 115 1HA GLY 16 1HA GLY 16 -0.109 6.382 10.761 116 2HA GLY 16 2HA GLY 16 0.321 5.260 12.036 117 H ARG 17 H ARG 17 2.160 6.826 12.374 118 HA ARG 17 HA ARG 17 4.283 6.218 10.473 119 1HB ARG 17 1HB ARG 17 3.734 8.752 12.085 120 2HB ARG 17 2HB ARG 17 5.301 8.443 11.364 121 1HG ARG 17 1HG ARG 17 4.392 8.439 9.128 122 2HG ARG 17 2HG ARG 17 2.745 8.328 9.715 123 1HD ARG 17 1HD ARG 17 4.449 10.705 10.516 124 2HD ARG 17 2HD ARG 17 3.716 10.670 8.925 125 HE ARG 17 HE ARG 17 1.765 10.004 10.959 126 1HH1 ARG 17 1HH1 ARG 17 3.480 12.752 9.523 127 2HH1 ARG 17 2HH1 ARG 17 2.246 13.896 9.934 128 1HH2 ARG 17 1HH2 ARG 17 0.290 13.145 11.097 129 H THR 18 H THR 18 6.476 5.973 11.427 130 HA THR 18 HA THR 18 6.574 5.724 14.326 131 HB THR 18 HB THR 18 5.815 3.497 13.585 132 HG1 THR 18 HG1 THR 18 7.647 3.813 15.164 133 1HG2 THR 18 1HG2 THR 18 8.300 2.850 12.110 134 2HG2 THR 18 2HG2 THR 18 6.618 2.414 11.725 135 3HG2 THR 18 3HG2 THR 18 7.262 4.002 11.237 136 H GLY 19 H GLY 19 8.636 5.965 15.210 137 1HA GLY 19 1HA GLY 19 10.711 6.704 13.233 138 2HA GLY 19 2HA GLY 19 10.417 7.598 14.712 139 H THR 20 H THR 20 10.596 4.037 13.992 140 HA THR 20 HA THR 20 12.521 3.825 16.202 141 HB THR 20 HB THR 20 10.341 2.571 16.373 142 HG1 THR 20 HG1 THR 20 11.525 0.565 16.810 143 1HG2 THR 20 1HG2 THR 20 10.922 1.918 13.625 144 2HG2 THR 20 2HG2 THR 20 11.043 0.415 14.573 145 3HG2 THR 20 3HG2 THR 20 9.541 1.370 14.604 146 H THR 21 H THR 21 12.205 3.743 12.759 147 HA THR 21 HA THR 21 14.864 2.479 12.611 148 HB THR 21 HB THR 21 12.354 2.177 10.917 149 HG1 THR 21 HG1 THR 21 13.174 -0.074 11.253 150 1HG2 THR 21 1HG2 THR 21 15.267 1.701 10.117 151 2HG2 THR 21 2HG2 THR 21 13.915 0.812 9.373 152 3HG2 THR 21 3HG2 THR 21 14.019 2.581 9.200 153 H GLY 22 H GLY 22 12.609 4.971 11.337 154 1HA GLY 22 1HA GLY 22 14.369 7.022 11.175 155 2HA GLY 22 2HA GLY 22 14.657 6.151 9.683 156 H ASP 23 H ASP 23 11.840 7.263 11.705 157 HA ASP 23 HA ASP 23 9.895 8.060 11.161 158 1HB ASP 23 1HB ASP 23 11.099 9.292 8.661 159 2HB ASP 23 2HB ASP 23 9.854 9.955 9.701 160 HD2 ASP 23 HD2 ASP 23 12.358 12.018 10.493 161 H VAL 24 H VAL 24 9.806 5.513 10.411 162 HA VAL 24 HA VAL 24 9.485 5.154 7.588 163 HB VAL 24 HB VAL 24 8.952 3.397 9.990 164 1HG1 VAL 24 1HG1 VAL 24 7.496 2.709 8.160 165 2HG1 VAL 24 2HG1 VAL 24 8.876 2.694 7.036 166 3HG1 VAL 24 3HG1 VAL 24 8.808 1.526 8.377 167 1HG2 VAL 24 1HG2 VAL 24 10.991 2.193 8.813 168 2HG2 VAL 24 2HG2 VAL 24 11.287 3.820 8.155 169 3HG2 VAL 24 3HG2 VAL 24 11.248 3.566 9.917 170 H THR 25 H THR 25 7.496 4.635 6.488 171 HA THR 25 HA THR 25 5.101 5.533 7.951 172 HB THR 25 HB THR 25 6.046 6.164 5.108 173 HG1 THR 25 HG1 THR 25 5.187 7.777 7.399 174 1HG2 THR 25 1HG2 THR 25 3.362 6.516 6.497 175 2HG2 THR 25 2HG2 THR 25 3.917 7.714 5.303 176 3HG2 THR 25 3HG2 THR 25 3.685 6.017 4.819 177 H GLN 26 H GLN 26 3.940 3.754 8.377 178 HA GLN 26 HA GLN 26 4.007 1.623 6.443 179 1HB GLN 26 1HB GLN 26 3.087 1.925 9.294 180 2HB GLN 26 2HB GLN 26 2.366 0.648 8.334 181 1HG GLN 26 1HG GLN 26 4.447 -0.452 7.991 182 2HG GLN 26 2HG GLN 26 5.380 0.985 8.361 183 1HE2 GLN 26 1HE2 GLN 26 4.973 1.897 10.612 184 2HE2 GLN 26 2HE2 GLN 26 4.956 0.770 11.927 185 H VAL 27 H VAL 27 2.322 1.072 5.068 186 HA VAL 27 HA VAL 27 -0.253 2.364 5.509 187 HB VAL 27 HB VAL 27 -0.365 3.131 3.214 188 1HG1 VAL 27 1HG1 VAL 27 0.860 4.412 5.217 189 2HG1 VAL 27 2HG1 VAL 27 2.236 4.305 4.093 190 3HG1 VAL 27 3HG1 VAL 27 0.730 5.104 3.582 191 1HG2 VAL 27 1HG2 VAL 27 2.340 1.831 3.007 192 2HG2 VAL 27 2HG2 VAL 27 0.947 1.737 1.904 193 3HG2 VAL 27 3HG2 VAL 27 1.935 3.216 1.966 194 H LYS 28 H LYS 28 -2.023 1.221 4.528 195 HA LYS 28 HA LYS 28 -1.278 -1.530 3.859 196 1HB LYS 28 1HB LYS 28 -3.446 -0.289 5.412 197 2HB LYS 28 2HB LYS 28 -4.002 -1.513 4.289 198 1HG LYS 28 1HG LYS 28 -2.109 -3.020 5.210 199 2HG LYS 28 2HG LYS 28 -1.907 -1.830 6.480 200 1HD LYS 28 1HD LYS 28 -4.612 -2.165 6.625 201 2HD LYS 28 2HD LYS 28 -4.166 -3.745 6.010 202 1HE LYS 28 1HE LYS 28 -2.262 -3.297 8.019 203 2HE LYS 28 2HE LYS 28 -3.713 -2.580 8.690 204 1HZ LYS 28 1HZ LYS 28 -4.773 -4.608 8.736 205 2HZ LYS 28 2HZ LYS 28 -3.983 -5.220 7.450 206 H VAL 29 H VAL 29 -1.573 -2.306 1.827 207 HA VAL 29 HA VAL 29 -3.296 -0.714 0.060 208 HB VAL 29 HB VAL 29 -1.664 -1.230 -1.750 209 1HG1 VAL 29 1HG1 VAL 29 -1.001 0.536 0.589 210 2HG1 VAL 29 2HG1 VAL 29 0.140 0.407 -0.771 211 3HG1 VAL 29 3HG1 VAL 29 -1.523 0.973 -1.055 212 1HG2 VAL 29 1HG2 VAL 29 0.569 -1.649 0.127 213 2HG2 VAL 29 2HG2 VAL 29 -0.568 -3.014 0.025 214 3HG2 VAL 29 3HG2 VAL 29 0.231 -2.409 -1.446 215 H ARG 30 H ARG 30 -4.504 -1.911 -1.480 216 HA ARG 30 HA ARG 30 -4.584 -4.734 -0.811 217 1HB ARG 30 1HB ARG 30 -6.716 -3.579 -0.456 218 2HB ARG 30 2HB ARG 30 -6.660 -2.870 -2.058 219 1HG ARG 30 1HG ARG 30 -7.093 -4.950 -3.137 220 2HG ARG 30 2HG ARG 30 -6.614 -5.887 -1.736 221 1HD ARG 30 1HD ARG 30 -8.832 -6.013 -1.225 222 2HD ARG 30 2HD ARG 30 -8.712 -4.337 -0.729 223 HE ARG 30 HE ARG 30 -9.095 -4.557 -3.601 224 1HH1 ARG 30 1HH1 ARG 30 -10.822 -4.672 -0.508 225 2HH1 ARG 30 2HH1 ARG 30 -12.341 -4.207 -1.199 226 1HH2 ARG 30 1HH2 ARG 30 -12.480 -3.784 -3.553 227 H ILE 31 H ILE 31 -4.693 -6.332 -2.547 228 HA ILE 31 HA ILE 31 -3.170 -5.571 -4.828 229 HB ILE 31 HB ILE 31 -4.554 -8.154 -4.095 230 1HG1 ILE 31 1HG1 ILE 31 -1.730 -7.155 -3.654 231 2HG1 ILE 31 2HG1 ILE 31 -2.911 -7.588 -2.436 232 1HG2 ILE 31 1HG2 ILE 31 -2.686 -7.432 -6.350 233 2HG2 ILE 31 2HG2 ILE 31 -2.816 -9.095 -5.730 234 3HG2 ILE 31 3HG2 ILE 31 -4.247 -8.285 -6.411 235 1HD1 ILE 31 1HD1 ILE 31 -1.257 -9.365 -4.200 236 2HD1 ILE 31 2HD1 ILE 31 -1.720 -9.572 -2.494 237 3HD1 ILE 31 3HD1 ILE 31 -2.894 -9.928 -3.784 238 H LEU 32 H LEU 32 -3.849 -4.928 -6.814 239 HA LEU 32 HA LEU 32 -6.672 -4.534 -7.165 240 1HB LEU 32 1HB LEU 32 -4.179 -3.763 -8.634 241 2HB LEU 32 2HB LEU 32 -5.727 -3.666 -9.448 242 HG LEU 32 HG LEU 32 -5.176 -1.508 -8.561 243 1HD1 LEU 32 1HD1 LEU 32 -7.276 -1.066 -7.960 244 2HD1 LEU 32 2HD1 LEU 32 -7.561 -2.820 -8.067 245 3HD1 LEU 32 3HD1 LEU 32 -7.162 -2.077 -6.499 246 1HD2 LEU 32 1HD2 LEU 32 -3.908 -1.292 -6.757 247 2HD2 LEU 32 2HD2 LEU 32 -5.287 -1.799 -5.752 248 3HD2 LEU 32 3HD2 LEU 32 -4.129 -3.011 -6.352 249 H GLU 33 H GLU 33 -4.112 -6.746 -8.297 250 HA GLU 33 HA GLU 33 -6.083 -8.575 -9.131 251 1HB GLU 33 1HB GLU 33 -5.380 -8.712 -11.531 252 2HB GLU 33 2HB GLU 33 -6.180 -7.203 -11.139 253 1HG GLU 33 1HG GLU 33 -4.151 -5.962 -11.181 254 2HG GLU 33 2HG GLU 33 -3.158 -7.388 -10.962 255 HE2 GLU 33 HE2 GLU 33 -4.550 -6.548 -14.638 256 H GLY 34 H GLY 34 -4.824 -10.515 -10.382 257 1HA GLY 34 1HA GLY 34 -2.674 -11.567 -10.618 258 2HA GLY 34 2HA GLY 34 -2.152 -10.775 -9.145 259 H ARG 35 H ARG 35 -4.793 -12.977 -10.329 260 HA ARG 35 HA ARG 35 -5.664 -14.768 -9.494 261 1HB ARG 35 1HB ARG 35 -2.929 -14.947 -8.694 262 2HB ARG 35 2HB ARG 35 -3.857 -15.419 -7.285 263 1HG ARG 35 1HG ARG 35 -3.451 -17.420 -8.598 264 2HG ARG 35 2HG ARG 35 -5.156 -17.038 -8.731 265 1HD ARG 35 1HD ARG 35 -3.356 -15.818 -10.804 266 2HD ARG 35 2HD ARG 35 -3.581 -17.554 -10.894 267 HE ARG 35 HE ARG 35 -6.161 -16.504 -10.550 268 1HH1 ARG 35 1HH1 ARG 35 -3.568 -16.150 -12.939 269 2HH1 ARG 35 2HH1 ARG 35 -4.651 -15.815 -14.248 270 1HH2 ARG 35 1HH2 ARG 35 -7.012 -15.768 -13.836 271 H ASP 36 H ASP 36 -4.002 -13.642 -6.462 272 HA ASP 36 HA ASP 36 -6.059 -14.089 -4.789 273 1HB ASP 36 1HB ASP 36 -3.583 -12.573 -4.776 274 2HB ASP 36 2HB ASP 36 -4.809 -11.645 -3.935 275 HD2 ASP 36 HD2 ASP 36 -2.434 -13.568 -3.199 276 H LYS 37 H LYS 37 -5.155 -10.907 -6.336 277 HA LYS 37 HA LYS 37 -6.308 -8.991 -6.468 278 1HB LYS 37 1HB LYS 37 -6.912 -10.276 -8.486 279 2HB LYS 37 2HB LYS 37 -8.315 -10.927 -7.662 280 1HG LYS 37 1HG LYS 37 -8.335 -8.049 -7.346 281 2HG LYS 37 2HG LYS 37 -8.072 -8.412 -9.041 282 1HD LYS 37 1HD LYS 37 -10.159 -10.104 -7.771 283 2HD LYS 37 2HD LYS 37 -10.546 -8.395 -7.770 284 1HE LYS 37 1HE LYS 37 -10.239 -8.262 -10.207 285 2HE LYS 37 2HE LYS 37 -9.645 -9.909 -10.266 286 1HZ LYS 37 1HZ LYS 37 -11.755 -10.634 -10.360 287 2HZ LYS 37 2HZ LYS 37 -12.171 -9.864 -8.986 288 H GLY 38 H GLY 38 -6.568 -8.372 -4.285 289 1HA GLY 38 1HA GLY 38 -8.512 -7.419 -3.099 290 2HA GLY 38 2HA GLY 38 -9.227 -9.018 -3.155 291 H ARG 39 H ARG 39 -5.757 -8.199 -2.575 292 HA ARG 39 HA ARG 39 -6.107 -9.405 0.052 293 1HB ARG 39 1HB ARG 39 -4.558 -10.469 -1.836 294 2HB ARG 39 2HB ARG 39 -3.424 -9.224 -1.355 295 1HG ARG 39 1HG ARG 39 -3.098 -10.134 0.776 296 2HG ARG 39 2HG ARG 39 -4.698 -10.848 0.838 297 1HD ARG 39 1HD ARG 39 -4.008 -12.797 -0.165 298 2HD ARG 39 2HD ARG 39 -3.000 -11.961 -1.329 299 HE ARG 39 HE ARG 39 -1.165 -12.231 0.100 300 1HH1 ARG 39 1HH1 ARG 39 -4.138 -12.760 1.954 301 2HH1 ARG 39 2HH1 ARG 39 -3.305 -13.296 3.374 302 1HH2 ARG 39 1HH2 ARG 39 -0.910 -13.394 3.363 303 H VAL 40 H VAL 40 -5.878 -7.965 1.735 304 HA VAL 40 HA VAL 40 -4.615 -5.413 1.168 305 HB VAL 40 HB VAL 40 -6.365 -6.510 3.355 306 1HG1 VAL 40 1HG1 VAL 40 -4.599 -4.081 3.417 307 2HG1 VAL 40 2HG1 VAL 40 -6.193 -4.028 4.210 308 3HG1 VAL 40 3HG1 VAL 40 -4.989 -5.239 4.710 309 1HG2 VAL 40 1HG2 VAL 40 -6.944 -5.284 0.955 310 2HG2 VAL 40 2HG2 VAL 40 -8.026 -5.363 2.366 311 3HG2 VAL 40 3HG2 VAL 40 -7.005 -3.928 2.105 312 H ILE 41 H ILE 41 -2.477 -5.154 1.523 313 HA ILE 41 HA ILE 41 -1.300 -6.776 3.673 314 HB ILE 41 HB ILE 41 0.791 -6.702 2.397 315 1HG1 ILE 41 1HG1 ILE 41 -0.806 -5.558 0.095 316 2HG1 ILE 41 2HG1 ILE 41 0.182 -4.571 1.154 317 1HG2 ILE 41 1HG2 ILE 41 -0.148 -8.721 1.993 318 2HG2 ILE 41 2HG2 ILE 41 -1.682 -8.023 1.420 319 3HG2 ILE 41 3HG2 ILE 41 -0.266 -8.065 0.342 320 1HD1 ILE 41 1HD1 ILE 41 2.067 -6.364 0.604 321 2HD1 ILE 41 2HD1 ILE 41 1.044 -6.693 -0.814 322 3HD1 ILE 41 3HD1 ILE 41 1.705 -5.061 -0.553 323 H ARG 42 H ARG 42 0.701 -5.708 4.661 324 HA ARG 42 HA ARG 42 0.192 -2.842 4.780 325 1HB ARG 42 1HB ARG 42 -0.443 -3.751 6.917 326 2HB ARG 42 2HB ARG 42 0.933 -4.835 6.961 327 1HG ARG 42 1HG ARG 42 1.793 -2.036 6.710 328 2HG ARG 42 2HG ARG 42 0.774 -2.260 8.117 329 1HD ARG 42 1HD ARG 42 2.848 -4.376 7.703 330 2HD ARG 42 2HD ARG 42 3.475 -2.783 8.080 331 HE ARG 42 HE ARG 42 1.405 -3.180 9.923 332 1HH1 ARG 42 1HH1 ARG 42 4.408 -4.869 9.098 333 2HH1 ARG 42 2HH1 ARG 42 4.640 -5.495 10.696 334 1HH2 ARG 42 1HH2 ARG 42 3.042 -4.975 12.404 335 H ARG 43 H ARG 43 1.836 -1.941 3.539 336 HA ARG 43 HA ARG 43 4.458 -3.131 3.797 337 1HB ARG 43 1HB ARG 43 3.305 -2.572 1.520 338 2HB ARG 43 2HB ARG 43 3.657 -0.895 1.883 339 1HG ARG 43 1HG ARG 43 6.045 -1.299 1.919 340 2HG ARG 43 2HG ARG 43 5.823 -3.038 1.937 341 1HD ARG 43 1HD ARG 43 4.639 -2.759 -0.359 342 2HD ARG 43 2HD ARG 43 5.265 -1.122 -0.368 343 HE ARG 43 HE ARG 43 7.371 -3.026 0.220 344 1HH1 ARG 43 1HH1 ARG 43 5.457 -1.699 -2.450 345 2HH1 ARG 43 2HH1 ARG 43 6.666 -2.030 -3.645 346 1HH2 ARG 43 1HH2 ARG 43 8.721 -3.066 -2.980 347 H ASN 44 H ASN 44 6.337 -1.817 4.342 348 HA ASN 44 HA ASN 44 5.569 0.664 5.669 349 1HB ASN 44 1HB ASN 44 7.721 0.238 7.036 350 2HB ASN 44 2HB ASN 44 6.395 -0.866 7.343 351 1HD2 ASN 44 1HD2 ASN 44 8.629 -1.827 8.131 352 2HD2 ASN 44 2HD2 ASN 44 9.328 -3.003 7.069 353 H VAL 45 H VAL 45 6.146 2.300 4.200 354 HA VAL 45 HA VAL 45 8.847 2.112 3.057 355 HB VAL 45 HB VAL 45 6.285 3.130 1.821 356 1HG1 VAL 45 1HG1 VAL 45 8.004 4.709 1.236 357 2HG1 VAL 45 2HG1 VAL 45 9.147 3.401 0.848 358 3HG1 VAL 45 3HG1 VAL 45 7.713 3.662 -0.173 359 1HG2 VAL 45 1HG2 VAL 45 6.309 0.841 1.445 360 2HG2 VAL 45 2HG2 VAL 45 7.143 1.458 -0.001 361 3HG2 VAL 45 3HG2 VAL 45 8.084 0.767 1.342 362 H ARG 46 H ARG 46 9.745 4.352 2.499 363 HA ARG 46 HA ARG 46 9.188 6.012 4.781 364 1HB ARG 46 1HB ARG 46 11.344 6.379 2.644 365 2HB ARG 46 2HB ARG 46 11.300 7.139 4.222 366 1HG ARG 46 1HG ARG 46 11.164 4.151 4.240 367 2HG ARG 46 2HG ARG 46 12.678 4.826 3.669 368 1HD ARG 46 1HD ARG 46 12.467 6.375 5.832 369 2HD ARG 46 2HD ARG 46 11.384 5.117 6.392 370 HE ARG 46 HE ARG 46 13.211 3.654 6.614 371 1HH1 ARG 46 1HH1 ARG 46 14.203 6.483 4.728 372 2HH1 ARG 46 2HH1 ARG 46 15.883 6.068 4.756 373 1HH2 ARG 46 1HH2 ARG 46 16.582 4.078 5.894 374 H GLY 47 H GLY 47 8.321 8.118 4.644 375 1HA GLY 47 1HA GLY 47 7.881 10.112 3.463 376 2HA GLY 47 2HA GLY 47 7.868 9.222 1.953 377 HA PRO 48 HA PRO 48 3.603 9.515 3.842 378 1HB PRO 48 1HB PRO 48 2.621 11.856 2.831 379 2HB PRO 48 2HB PRO 48 3.269 11.710 4.452 380 1HG PRO 48 1HG PRO 48 4.501 12.955 2.071 381 2HG PRO 48 2HG PRO 48 4.920 13.164 3.760 382 1HD PRO 48 1HD PRO 48 6.332 11.586 1.824 383 2HD PRO 48 2HD PRO 48 6.682 11.703 3.537 384 H VAL 49 H VAL 49 1.383 10.060 2.492 385 HA VAL 49 HA VAL 49 1.699 9.616 -0.280 386 HB VAL 49 HB VAL 49 2.301 7.375 0.899 387 1HG1 VAL 49 1HG1 VAL 49 -0.086 7.696 2.142 388 2HG1 VAL 49 2HG1 VAL 49 -0.585 6.702 0.752 389 3HG1 VAL 49 3HG1 VAL 49 0.679 6.113 1.858 390 1HG2 VAL 49 1HG2 VAL 49 1.296 8.059 -1.604 391 2HG2 VAL 49 2HG2 VAL 49 2.049 6.512 -1.152 392 3HG2 VAL 49 3HG2 VAL 49 0.279 6.690 -1.095 393 H ARG 50 H ARG 50 -0.788 8.397 -0.823 394 HA ARG 50 HA ARG 50 -2.728 9.688 0.814 395 1HB ARG 50 1HB ARG 50 -2.355 10.538 -2.103 396 2HB ARG 50 2HB ARG 50 -3.726 10.990 -1.111 397 1HG ARG 50 1HG ARG 50 -2.190 12.128 0.501 398 2HG ARG 50 2HG ARG 50 -0.813 11.666 -0.479 399 1HD ARG 50 1HD ARG 50 -2.118 12.889 -2.436 400 2HD ARG 50 2HD ARG 50 -3.016 13.647 -1.137 401 HE ARG 50 HE ARG 50 -0.333 13.942 -0.401 402 1HH1 ARG 50 1HH1 ARG 50 -2.301 14.892 -3.189 403 2HH1 ARG 50 2HH1 ARG 50 -1.347 16.294 -3.542 404 1HH2 ARG 50 1HH2 ARG 50 0.546 16.802 -2.163 405 H VAL 51 H VAL 51 -4.735 8.609 0.652 406 HA VAL 51 HA VAL 51 -4.892 6.091 -0.261 407 HB VAL 51 HB VAL 51 -6.978 8.244 0.022 408 1HG1 VAL 51 1HG1 VAL 51 -8.593 6.194 0.056 409 2HG1 VAL 51 2HG1 VAL 51 -8.096 6.888 -1.506 410 3HG1 VAL 51 3HG1 VAL 51 -7.326 5.399 -0.909 411 1HG2 VAL 51 1HG2 VAL 51 -6.477 5.754 1.683 412 2HG2 VAL 51 2HG2 VAL 51 -5.755 7.344 2.032 413 3HG2 VAL 51 3HG2 VAL 51 -7.522 7.140 2.079 414 H GLY 52 H GLY 52 -5.501 4.989 -2.159 415 1HA GLY 52 1HA GLY 52 -6.287 4.903 -4.359 416 2HA GLY 52 2HA GLY 52 -5.978 6.617 -4.553 417 H ASP 53 H ASP 53 -3.257 6.243 -3.113 418 HA ASP 53 HA ASP 53 -1.663 6.248 -5.263 419 1HB ASP 53 1HB ASP 53 -1.158 6.637 -2.724 420 2HB ASP 53 2HB ASP 53 -0.805 4.922 -2.661 421 HD2 ASP 53 HD2 ASP 53 0.309 7.920 -3.629 422 H ILE 54 H ILE 54 -0.484 4.643 -6.476 423 HA ILE 54 HA ILE 54 -1.271 1.872 -5.894 424 HB ILE 54 HB ILE 54 -0.776 3.222 -8.549 425 1HG1 ILE 54 1HG1 ILE 54 -2.990 3.568 -7.240 426 2HG1 ILE 54 2HG1 ILE 54 -3.050 3.150 -8.940 427 1HG2 ILE 54 1HG2 ILE 54 -1.656 0.900 -9.357 428 2HG2 ILE 54 2HG2 ILE 54 0.062 1.109 -8.942 429 3HG2 ILE 54 3HG2 ILE 54 -1.045 0.333 -7.785 430 1HD1 ILE 54 1HD1 ILE 54 -3.291 1.152 -6.642 431 2HD1 ILE 54 2HD1 ILE 54 -4.647 1.786 -7.605 432 3HD1 ILE 54 3HD1 ILE 54 -3.410 0.764 -8.376 433 H LEU 55 H LEU 55 0.349 0.483 -5.404 434 HA LEU 55 HA LEU 55 3.035 1.189 -6.321 435 1HB LEU 55 1HB LEU 55 2.269 1.733 -3.785 436 2HB LEU 55 2HB LEU 55 2.816 0.079 -3.589 437 HG LEU 55 HG LEU 55 4.673 1.416 -3.071 438 1HD1 LEU 55 1HD1 LEU 55 4.905 -0.472 -4.909 439 2HD1 LEU 55 2HD1 LEU 55 5.400 0.905 -5.924 440 3HD1 LEU 55 3HD1 LEU 55 6.289 0.538 -4.427 441 1HD2 LEU 55 1HD2 LEU 55 3.507 3.397 -4.491 442 2HD2 LEU 55 2HD2 LEU 55 5.193 3.437 -3.924 443 3HD2 LEU 55 3HD2 LEU 55 4.828 2.952 -5.597 444 H ILE 56 H ILE 56 3.935 -0.484 -7.394 445 HA ILE 56 HA ILE 56 2.637 -3.074 -7.121 446 HB ILE 56 HB ILE 56 4.762 -2.266 -9.096 447 1HG1 ILE 56 1HG1 ILE 56 1.817 -1.662 -9.094 448 2HG1 ILE 56 2HG1 ILE 56 3.164 -0.619 -9.505 449 1HG2 ILE 56 1HG2 ILE 56 2.608 -4.184 -9.770 450 2HG2 ILE 56 2HG2 ILE 56 4.342 -4.205 -10.169 451 3HG2 ILE 56 3HG2 ILE 56 3.794 -4.727 -8.558 452 1HD1 ILE 56 1HD1 ILE 56 2.388 -1.132 -11.638 453 2HD1 ILE 56 2HD1 ILE 56 3.572 -2.444 -11.422 454 3HD1 ILE 56 3HD1 ILE 56 1.839 -2.757 -11.160 455 H LEU 57 H LEU 57 3.775 -4.998 -6.586 456 HA LEU 57 HA LEU 57 6.509 -4.629 -5.648 457 1HB LEU 57 1HB LEU 57 5.777 -6.028 -3.597 458 2HB LEU 57 2HB LEU 57 5.569 -4.288 -3.605 459 HG LEU 57 HG LEU 57 3.645 -5.524 -2.652 460 1HD1 LEU 57 1HD1 LEU 57 2.197 -3.941 -3.330 461 2HD1 LEU 57 2HD1 LEU 57 3.615 -3.290 -4.185 462 3HD1 LEU 57 3HD1 LEU 57 2.438 -4.301 -5.057 463 1HD2 LEU 57 1HD2 LEU 57 2.292 -6.984 -3.843 464 2HD2 LEU 57 2HD2 LEU 57 2.899 -6.428 -5.420 465 3HD2 LEU 57 3HD2 LEU 57 3.928 -7.436 -4.377 466 H ARG 58 H ARG 58 7.805 -6.328 -6.196 467 HA ARG 58 HA ARG 58 6.814 -8.215 -7.941 468 1HB ARG 58 1HB ARG 58 9.380 -7.561 -6.660 469 2HB ARG 58 2HB ARG 58 9.198 -9.293 -6.842 470 1HG ARG 58 1HG ARG 58 9.281 -9.205 -9.146 471 2HG ARG 58 2HG ARG 58 8.380 -7.705 -9.230 472 1HD ARG 58 1HD ARG 58 10.403 -6.435 -8.497 473 2HD ARG 58 2HD ARG 58 11.308 -7.932 -8.376 474 HE ARG 58 HE ARG 58 10.230 -7.856 -10.993 475 1HH1 ARG 58 1HH1 ARG 58 12.530 -5.981 -9.056 476 2HH1 ARG 58 2HH1 ARG 58 13.451 -5.460 -10.429 477 1HH2 ARG 58 1HH2 ARG 58 12.795 -6.172 -12.621 478 H GLU 59 H GLU 59 8.177 -8.742 -4.595 479 HA GLU 59 HA GLU 59 6.186 -10.838 -4.281 480 1HB GLU 59 1HB GLU 59 9.075 -11.177 -4.422 481 2HB GLU 59 2HB GLU 59 8.496 -11.672 -2.844 482 1HG GLU 59 1HG GLU 59 7.995 -13.651 -3.872 483 2HG GLU 59 2HG GLU 59 6.575 -12.809 -4.460 484 HE2 GLU 59 HE2 GLU 59 9.858 -12.824 -6.707 485 H THR 60 H THR 60 6.629 -11.639 -1.698 486 HA THR 60 HA THR 60 5.764 -9.357 -0.227 487 HB THR 60 HB THR 60 6.245 -12.309 0.257 488 HG1 THR 60 HG1 THR 60 3.978 -12.091 0.496 489 1HG2 THR 60 1HG2 THR 60 5.014 -11.273 2.572 490 2HG2 THR 60 2HG2 THR 60 6.660 -11.947 2.483 491 3HG2 THR 60 3HG2 THR 60 6.404 -10.194 2.309 492 H GLU 61 H GLU 61 8.865 -10.980 -0.758 493 HA GLU 61 HA GLU 61 10.886 -10.456 -0.164 494 1HB GLU 61 1HB GLU 61 9.535 -7.812 0.413 495 2HB GLU 61 2HB GLU 61 11.219 -8.031 0.844 496 1HG GLU 61 1HG GLU 61 11.385 -8.989 -1.662 497 2HG GLU 61 2HG GLU 61 9.947 -8.015 -1.893 498 HE2 GLU 61 HE2 GLU 61 12.159 -5.967 -2.979 499 H ARG 62 H ARG 62 9.262 -8.531 2.442 500 HA ARG 62 HA ARG 62 8.970 -8.973 4.569 501 1HB ARG 62 1HB ARG 62 9.156 -11.556 3.710 502 2HB ARG 62 2HB ARG 62 10.622 -11.487 4.666 503 1HG ARG 62 1HG ARG 62 8.512 -10.219 6.181 504 2HG ARG 62 2HG ARG 62 7.904 -11.752 5.588 505 1HD ARG 62 1HD ARG 62 10.666 -11.989 6.598 506 2HD ARG 62 2HD ARG 62 9.574 -11.378 7.824 507 HE ARG 62 HE ARG 62 8.123 -13.462 6.817 508 1HH1 ARG 62 1HH1 ARG 62 11.503 -13.264 7.862 509 2HH1 ARG 62 2HH1 ARG 62 11.581 -14.927 8.340 510 1HH2 ARG 62 1HH2 ARG 62 9.643 -16.315 8.088 511 H GLU 63 H GLU 63 10.217 -7.398 5.555 512 HA GLU 63 HA GLU 63 13.028 -7.399 5.229 513 1HB GLU 63 1HB GLU 63 11.202 -5.448 5.690 514 2HB GLU 63 2HB GLU 63 11.731 -5.708 7.341 515 1HG GLU 63 1HG GLU 63 13.870 -4.911 6.937 516 2HG GLU 63 2HG GLU 63 13.914 -5.532 5.299 517 HE2 GLU 63 HE2 GLU 63 13.504 -1.827 5.378 518 H ALA 64 H ALA 64 14.261 -6.802 7.549 519 HA ALA 64 HA ALA 64 14.189 -9.303 8.938 520 1HB ALA 64 1HB ALA 64 16.076 -7.308 8.387 521 2HB ALA 64 2HB ALA 64 15.804 -7.182 10.141 522 3HB ALA 64 3HB ALA 64 16.313 -8.732 9.428 523 H ARG 65 H ARG 65 12.448 -9.656 10.261 524 HA ARG 65 HA ARG 65 10.986 -7.691 11.459 525 1HB ARG 65 1HB ARG 65 10.972 -10.509 11.357 526 2HB ARG 65 2HB ARG 65 11.122 -10.165 13.069 527 1HG ARG 65 1HG ARG 65 9.096 -8.856 13.094 528 2HG ARG 65 2HG ARG 65 9.047 -8.752 11.345 529 1HD ARG 65 1HD ARG 65 9.098 -11.553 12.063 530 2HD ARG 65 2HD ARG 65 7.875 -10.770 13.042 531 HE ARG 65 HE ARG 65 7.488 -9.770 10.446 532 1HH1 ARG 65 1HH1 ARG 65 7.439 -12.961 11.985 533 2HH1 ARG 65 2HH1 ARG 65 6.293 -13.620 10.866 534 1HH2 ARG 65 1HH2 ARG 65 5.446 -12.237 9.101 535 H GLU 66 H GLU 66 13.622 -9.768 12.869 536 HA GLU 66 HA GLU 66 14.756 -9.612 14.730 537 1HB GLU 66 1HB GLU 66 15.939 -7.453 15.078 538 2HB GLU 66 2HB GLU 66 15.918 -7.921 13.389 539 1HG GLU 66 1HG GLU 66 14.105 -6.361 12.897 540 2HG GLU 66 2HG GLU 66 13.853 -6.029 14.600 541 HE2 GLU 66 HE2 GLU 66 15.147 -4.385 15.444 542 H ILE 67 H ILE 67 11.828 -9.439 15.057 543 HA ILE 67 HA ILE 67 10.251 -8.758 16.484 544 HB ILE 67 HB ILE 67 10.751 -9.270 18.780 545 1HG1 ILE 67 1HG1 ILE 67 13.049 -8.009 18.601 546 2HG1 ILE 67 2HG1 ILE 67 12.818 -9.299 19.765 547 1HG2 ILE 67 1HG2 ILE 67 10.471 -11.298 17.838 548 2HG2 ILE 67 2HG2 ILE 67 11.684 -11.004 16.570 549 3HG2 ILE 67 3HG2 ILE 67 12.203 -11.474 18.206 550 1HD1 ILE 67 1HD1 ILE 67 14.280 -10.704 18.699 551 2HD1 ILE 67 2HD1 ILE 67 13.712 -10.224 17.082 552 3HD1 ILE 67 3HD1 ILE 67 14.883 -9.204 17.952 553 H LYS 68 H LYS 68 10.425 -7.357 18.999 554 HA LYS 68 HA LYS 68 11.835 -4.955 18.752 555 1HB LYS 68 1HB LYS 68 10.367 -4.531 16.845 556 2HB LYS 68 2HB LYS 68 8.949 -4.825 17.831 557 1HG LYS 68 1HG LYS 68 10.514 -2.898 19.250 558 2HG LYS 68 2HG LYS 68 10.517 -2.386 17.575 559 1HD LYS 68 1HD LYS 68 7.852 -3.144 17.988 560 2HD LYS 68 2HD LYS 68 8.293 -2.421 19.523 561 1HE LYS 68 1HE LYS 68 9.089 -0.972 16.996 562 2HE LYS 68 2HE LYS 68 7.402 -0.930 17.470 563 1HZ LYS 68 1HZ LYS 68 9.450 -0.317 19.493 564 2HZ LYS 68 2HZ LYS 68 9.041 0.837 18.419 565 H SER 69 H SER 69 11.639 -6.781 20.777 566 HA SER 69 HA SER 69 9.518 -6.054 22.523 567 1HB SER 69 1HB SER 69 10.656 -8.340 22.398 568 2HB SER 69 2HB SER 69 12.048 -7.619 23.180 569 HG SER 69 HG SER 69 9.380 -7.548 24.300 570 H ARG 70 H ARG 70 13.138 -5.964 22.944 571 HA ARG 70 HA ARG 70 14.462 -4.510 23.844 572 1HB ARG 70 1HB ARG 70 12.976 -2.871 22.391 573 2HB ARG 70 2HB ARG 70 12.302 -2.370 23.929 574 1HG ARG 70 1HG ARG 70 15.121 -2.413 24.321 575 2HG ARG 70 2HG ARG 70 14.883 -1.687 22.744 576 1HD ARG 70 1HD ARG 70 13.400 -0.796 25.264 577 2HD ARG 70 2HD ARG 70 14.857 -0.027 24.667 578 HE ARG 70 HE ARG 70 13.109 -0.079 22.471 579 1HH1 ARG 70 1HH1 ARG 70 13.059 1.299 25.735 580 2HH1 ARG 70 2HH1 ARG 70 12.031 2.622 25.294 581 1HH2 ARG 70 1HH2 ARG 70 11.277 2.818 23.028 582 H ARG 71 H ARG 71 15.081 -3.868 25.992 583 HA ARG 71 HA ARG 71 12.912 -4.047 27.923 584 1HB ARG 71 1HB ARG 71 14.791 -5.991 27.681 585 2HB ARG 71 2HB ARG 71 15.693 -4.903 28.716 586 1HG ARG 71 1HG ARG 71 14.202 -5.134 30.511 587 2HG ARG 71 2HG ARG 71 12.837 -5.501 29.474 588 1HD ARG 71 1HD ARG 71 13.504 -7.763 29.169 589 2HD ARG 71 2HD ARG 71 15.168 -7.439 29.614 590 HE ARG 71 HE ARG 71 13.055 -8.153 31.419 591 1HH1 ARG 71 1HH1 ARG 71 15.844 -5.977 31.222 592 2HH1 ARG 71 2HH1 ARG 71 16.088 -5.934 32.937 593 1HH2 ARG 71 1HH2 ARG 71 14.626 -7.187 34.362 Start of MODEL 10 1 1H MET 1 1H MET 1 -3.639 -14.292 -16.729 2 HA MET 1 HA MET 1 -1.868 -13.258 -15.788 3 1HB MET 1 1HB MET 1 0.159 -14.898 -16.195 4 2HB MET 1 2HB MET 1 -1.315 -15.564 -15.520 5 1HG MET 1 1HG MET 1 -2.029 -16.122 -17.936 6 2HG MET 1 2HG MET 1 -0.403 -15.694 -18.430 7 1HE MET 1 1HE MET 1 -0.748 -17.959 -19.457 8 2HE MET 1 2HE MET 1 0.963 -18.133 -18.997 9 3HE MET 1 3HE MET 1 -0.183 -19.459 -18.684 10 H ALA 2 H ALA 2 -2.105 -11.369 -17.498 11 HA ALA 2 HA ALA 2 0.099 -11.327 -19.383 12 1HB ALA 2 1HB ALA 2 -1.936 -10.481 -20.259 13 2HB ALA 2 2HB ALA 2 -2.278 -9.542 -18.786 14 3HB ALA 2 3HB ALA 2 -0.971 -9.033 -19.882 15 H GLU 3 H GLU 3 -1.061 -8.545 -17.443 16 HA GLU 3 HA GLU 3 1.208 -7.293 -17.100 17 1HB GLU 3 1HB GLU 3 0.210 -6.875 -14.600 18 2HB GLU 3 2HB GLU 3 -0.444 -6.121 -16.041 19 1HG GLU 3 1HG GLU 3 -1.486 -8.861 -15.447 20 2HG GLU 3 2HG GLU 3 -1.930 -7.625 -14.287 21 HE2 GLU 3 HE2 GLU 3 -2.872 -6.033 -17.685 22 H ASP 4 H ASP 4 3.240 -7.946 -16.550 23 HA ASP 4 HA ASP 4 3.458 -9.599 -14.178 24 1HB ASP 4 1HB ASP 4 4.069 -10.409 -16.901 25 2HB ASP 4 2HB ASP 4 5.561 -10.348 -15.983 26 HD2 ASP 4 HD2 ASP 4 5.585 -12.407 -14.200 27 H GLU 5 H GLU 5 3.933 -6.677 -15.284 28 HA GLU 5 HA GLU 5 6.777 -6.450 -15.103 29 1HB GLU 5 1HB GLU 5 4.588 -4.862 -16.118 30 2HB GLU 5 2HB GLU 5 5.498 -3.881 -14.985 31 1HG GLU 5 1HG GLU 5 7.087 -3.565 -16.568 32 2HG GLU 5 2HG GLU 5 7.448 -5.280 -16.525 33 HE2 GLU 5 HE2 GLU 5 6.802 -4.944 -19.818 34 H GLY 6 H GLY 6 4.688 -7.221 -12.802 35 1HA GLY 6 1HA GLY 6 5.734 -7.034 -10.551 36 2HA GLY 6 2HA GLY 6 5.751 -5.301 -10.817 37 H TYR 7 H TYR 7 4.298 -7.110 -8.798 38 HA TYR 7 HA TYR 7 1.528 -6.855 -9.486 39 1HB TYR 7 1HB TYR 7 3.235 -7.581 -7.038 40 2HB TYR 7 2HB TYR 7 1.487 -7.528 -6.917 41 HD1 TYR 7 HD1 TYR 7 4.250 -9.610 -7.550 42 HD2 TYR 7 HD2 TYR 7 0.205 -8.954 -8.777 43 HE1 TYR 7 HE1 TYR 7 4.112 -12.002 -8.399 44 HE2 TYR 7 HE2 TYR 7 0.080 -11.349 -9.622 45 HH TYR 7 HH TYR 7 2.089 -13.680 -8.726 46 HA PRO 8 HA PRO 8 1.384 -2.734 -7.972 47 1HB PRO 8 1HB PRO 8 -1.104 -2.128 -8.926 48 2HB PRO 8 2HB PRO 8 0.358 -1.942 -9.874 49 1HG PRO 8 1HG PRO 8 -1.728 -4.027 -10.074 50 2HG PRO 8 2HG PRO 8 -0.511 -3.575 -11.252 51 1HD PRO 8 1HD PRO 8 -0.475 -5.879 -9.543 52 2HD PRO 8 2HD PRO 8 0.795 -5.364 -10.636 53 H ALA 9 H ALA 9 -0.291 -1.343 -6.695 54 HA ALA 9 HA ALA 9 -2.119 -2.878 -5.161 55 1HB ALA 9 1HB ALA 9 -0.992 -3.150 -3.161 56 2HB ALA 9 2HB ALA 9 0.360 -3.358 -4.300 57 3HB ALA 9 3HB ALA 9 0.121 -1.798 -3.479 58 H GLU 10 H GLU 10 -3.581 -1.511 -4.094 59 HA GLU 10 HA GLU 10 -2.961 1.322 -4.423 60 1HB GLU 10 1HB GLU 10 -4.815 0.390 -5.891 61 2HB GLU 10 2HB GLU 10 -5.727 0.042 -4.435 62 1HG GLU 10 1HG GLU 10 -4.736 2.792 -4.371 63 2HG GLU 10 2HG GLU 10 -5.625 2.505 -5.852 64 HE2 GLU 10 HE2 GLU 10 -8.401 2.949 -4.767 65 H VAL 11 H VAL 11 -2.963 2.574 -2.587 66 HA VAL 11 HA VAL 11 -3.155 1.355 -0.082 67 HB VAL 11 HB VAL 11 -3.163 4.235 -0.989 68 1HG1 VAL 11 1HG1 VAL 11 -2.777 4.923 1.283 69 2HG1 VAL 11 2HG1 VAL 11 -4.265 3.947 1.249 70 3HG1 VAL 11 3HG1 VAL 11 -2.747 3.235 1.846 71 1HG2 VAL 11 1HG2 VAL 11 -0.916 2.854 0.455 72 2HG2 VAL 11 2HG2 VAL 11 -1.146 2.582 -1.290 73 3HG2 VAL 11 3HG2 VAL 11 -0.869 4.230 -0.675 74 H ILE 12 H ILE 12 -4.836 1.000 1.307 75 HA ILE 12 HA ILE 12 -7.440 2.028 0.423 76 HB ILE 12 HB ILE 12 -8.356 0.104 1.718 77 1HG1 ILE 12 1HG1 ILE 12 -5.964 -1.523 1.625 78 2HG1 ILE 12 2HG1 ILE 12 -5.702 -0.122 2.644 79 1HG2 ILE 12 1HG2 ILE 12 -6.725 -0.124 -0.769 80 2HG2 ILE 12 2HG2 ILE 12 -7.356 -1.619 -0.038 81 3HG2 ILE 12 3HG2 ILE 12 -8.476 -0.321 -0.517 82 1HD1 ILE 12 1HD1 ILE 12 -7.775 -0.629 3.916 83 2HD1 ILE 12 2HD1 ILE 12 -8.069 -2.038 2.869 84 3HD1 ILE 12 3HD1 ILE 12 -6.651 -2.011 3.944 85 H GLU 13 H GLU 13 -5.122 1.673 3.114 86 HA GLU 13 HA GLU 13 -6.301 3.904 4.383 87 1HB GLU 13 1HB GLU 13 -7.880 2.232 5.217 88 2HB GLU 13 2HB GLU 13 -6.573 1.170 5.703 89 1HG GLU 13 1HG GLU 13 -5.767 2.950 7.305 90 2HG GLU 13 2HG GLU 13 -7.142 3.940 6.860 91 HE2 GLU 13 HE2 GLU 13 -9.292 2.367 8.907 92 H ILE 14 H ILE 14 -4.858 4.850 5.922 93 HA ILE 14 HA ILE 14 -2.196 3.665 5.824 94 HB ILE 14 HB ILE 14 -3.199 6.427 6.506 95 1HG1 ILE 14 1HG1 ILE 14 -1.272 6.356 4.400 96 2HG1 ILE 14 2HG1 ILE 14 -2.482 5.139 4.051 97 1HG2 ILE 14 1HG2 ILE 14 -0.317 6.160 6.175 98 2HG2 ILE 14 2HG2 ILE 14 -1.258 6.980 7.444 99 3HG2 ILE 14 3HG2 ILE 14 -0.929 5.235 7.569 100 1HD1 ILE 14 1HD1 ILE 14 -2.982 8.089 4.641 101 2HD1 ILE 14 2HD1 ILE 14 -3.240 7.242 3.098 102 3HD1 ILE 14 3HD1 ILE 14 -4.278 6.877 4.497 103 H ILE 15 H ILE 15 -1.483 2.462 7.492 104 HA ILE 15 HA ILE 15 -2.997 2.162 9.830 105 HB ILE 15 HB ILE 15 -0.140 1.408 9.204 106 1HG1 ILE 15 1HG1 ILE 15 -2.644 -0.292 9.069 107 2HG1 ILE 15 2HG1 ILE 15 -1.934 0.506 7.681 108 1HG2 ILE 15 1HG2 ILE 15 -1.351 1.441 11.698 109 2HG2 ILE 15 2HG2 ILE 15 -1.550 -0.240 11.150 110 3HG2 ILE 15 3HG2 ILE 15 0.073 0.487 11.219 111 1HD1 ILE 15 1HD1 ILE 15 -1.228 -2.021 8.687 112 2HD1 ILE 15 2HD1 ILE 15 -0.318 -1.076 7.484 113 3HD1 ILE 15 3HD1 ILE 15 0.099 -0.956 9.211 114 H GLY 16 H GLY 16 0.264 3.702 9.343 115 1HA GLY 16 1HA GLY 16 -0.137 6.056 10.612 116 2HA GLY 16 2HA GLY 16 0.119 4.946 11.943 117 H ARG 17 H ARG 17 2.019 6.723 11.978 118 HA ARG 17 HA ARG 17 4.088 6.295 10.139 119 1HB ARG 17 1HB ARG 17 4.174 7.546 12.933 120 2HB ARG 17 2HB ARG 17 5.432 7.705 11.723 121 1HG ARG 17 1HG ARG 17 2.677 8.445 10.818 122 2HG ARG 17 2HG ARG 17 3.377 9.496 12.033 123 1HD ARG 17 1HD ARG 17 5.133 8.726 9.708 124 2HD ARG 17 2HD ARG 17 3.829 9.852 9.388 125 HE ARG 17 HE ARG 17 5.348 10.579 11.770 126 1HH1 ARG 17 1HH1 ARG 17 5.300 10.809 8.234 127 2HH1 ARG 17 2HH1 ARG 17 6.289 12.231 8.190 128 1HH2 ARG 17 1HH2 ARG 17 7.072 13.181 10.246 129 H THR 18 H THR 18 6.103 5.151 10.426 130 HA THR 18 HA THR 18 6.328 3.505 12.834 131 HB THR 18 HB THR 18 6.243 2.501 9.941 132 HG1 THR 18 HG1 THR 18 4.555 1.167 11.184 133 1HG2 THR 18 1HG2 THR 18 7.068 1.153 12.555 134 2HG2 THR 18 2HG2 THR 18 6.429 0.226 11.177 135 3HG2 THR 18 3HG2 THR 18 7.941 1.150 11.003 136 H GLY 19 H GLY 19 7.767 5.727 12.683 137 1HA GLY 19 1HA GLY 19 10.318 5.042 11.392 138 2HA GLY 19 2HA GLY 19 9.824 6.618 11.978 139 H THR 20 H THR 20 9.574 3.425 13.663 140 HA THR 20 HA THR 20 10.261 4.229 16.141 141 HB THR 20 HB THR 20 9.495 1.958 15.583 142 HG1 THR 20 HG1 THR 20 10.783 2.101 17.497 143 1HG2 THR 20 1HG2 THR 20 12.300 1.523 14.435 144 2HG2 THR 20 2HG2 THR 20 10.994 0.319 14.538 145 3HG2 THR 20 3HG2 THR 20 10.841 1.704 13.431 146 H THR 21 H THR 21 12.578 3.372 13.510 147 HA THR 21 HA THR 21 14.681 4.556 15.202 148 HB THR 21 HB THR 21 14.655 2.294 13.154 149 HG1 THR 21 HG1 THR 21 14.359 1.646 15.326 150 1HG2 THR 21 1HG2 THR 21 16.726 4.161 13.275 151 2HG2 THR 21 2HG2 THR 21 17.219 2.964 14.497 152 3HG2 THR 21 3HG2 THR 21 16.928 2.452 12.817 153 H GLY 22 H GLY 22 12.942 4.649 12.131 154 1HA GLY 22 1HA GLY 22 14.628 6.957 11.362 155 2HA GLY 22 2HA GLY 22 14.035 5.779 10.209 156 H ASP 23 H ASP 23 12.479 6.764 8.982 157 HA ASP 23 HA ASP 23 10.284 7.944 10.465 158 1HB ASP 23 1HB ASP 23 12.076 9.591 9.300 159 2HB ASP 23 2HB ASP 23 11.136 9.221 7.868 160 HD2 ASP 23 HD2 ASP 23 10.672 11.635 8.106 161 H VAL 24 H VAL 24 10.277 5.343 9.463 162 HA VAL 24 HA VAL 24 9.409 5.256 6.749 163 HB VAL 24 HB VAL 24 9.173 3.178 8.932 164 1HG1 VAL 24 1HG1 VAL 24 7.835 2.749 6.889 165 2HG1 VAL 24 2HG1 VAL 24 9.319 2.869 5.913 166 3HG1 VAL 24 3HG1 VAL 24 9.143 1.564 7.111 167 1HG2 VAL 24 1HG2 VAL 24 11.333 2.309 8.123 168 2HG2 VAL 24 2HG2 VAL 24 11.473 3.696 7.015 169 3HG2 VAL 24 3HG2 VAL 24 11.487 3.958 8.776 170 H THR 25 H THR 25 7.240 4.508 6.057 171 HA THR 25 HA THR 25 5.143 5.215 7.993 172 HB THR 25 HB THR 25 5.608 6.251 5.161 173 HG1 THR 25 HG1 THR 25 4.948 7.299 7.824 174 1HG2 THR 25 1HG2 THR 25 3.284 5.892 4.988 175 2HG2 THR 25 2HG2 THR 25 3.043 5.976 6.749 176 3HG2 THR 25 3HG2 THR 25 3.316 7.468 5.816 177 H GLN 26 H GLN 26 4.110 3.363 8.418 178 HA GLN 26 HA GLN 26 3.966 1.391 6.339 179 1HB GLN 26 1HB GLN 26 4.085 1.322 9.151 180 2HB GLN 26 2HB GLN 26 2.451 0.804 8.785 181 1HG GLN 26 1HG GLN 26 3.884 -0.609 6.890 182 2HG GLN 26 2HG GLN 26 5.042 -0.549 8.204 183 1HE2 GLN 26 1HE2 GLN 26 4.433 -2.941 7.801 184 2HE2 GLN 26 2HE2 GLN 26 3.227 -3.607 8.851 185 H VAL 27 H VAL 27 2.178 0.944 5.079 186 HA VAL 27 HA VAL 27 -0.391 2.010 5.936 187 HB VAL 27 HB VAL 27 -0.783 3.036 3.756 188 1HG1 VAL 27 1HG1 VAL 27 0.385 4.199 5.814 189 2HG1 VAL 27 2HG1 VAL 27 1.776 4.287 4.707 190 3HG1 VAL 27 3HG1 VAL 27 0.232 5.049 4.258 191 1HG2 VAL 27 1HG2 VAL 27 1.612 3.489 2.546 192 2HG2 VAL 27 2HG2 VAL 27 1.854 1.832 3.150 193 3HG2 VAL 27 3HG2 VAL 27 0.480 2.197 2.079 194 H LYS 28 H LYS 28 -2.205 0.968 4.828 195 HA LYS 28 HA LYS 28 -1.443 -1.715 3.990 196 1HB LYS 28 1HB LYS 28 -3.895 -0.456 5.160 197 2HB LYS 28 2HB LYS 28 -4.085 -1.895 4.179 198 1HG LYS 28 1HG LYS 28 -2.518 -3.144 5.602 199 2HG LYS 28 2HG LYS 28 -2.120 -1.699 6.508 200 1HD LYS 28 1HD LYS 28 -4.107 -1.723 7.708 201 2HD LYS 28 2HD LYS 28 -5.030 -2.404 6.383 202 1HE LYS 28 1HE LYS 28 -4.784 -4.502 7.216 203 2HE LYS 28 2HE LYS 28 -3.040 -4.344 7.219 204 1HZ LYS 28 1HZ LYS 28 -3.348 -3.051 9.367 205 2HZ LYS 28 2HZ LYS 28 -4.896 -3.557 9.388 206 H VAL 29 H VAL 29 -1.663 -2.465 1.924 207 HA VAL 29 HA VAL 29 -3.128 -0.739 0.059 208 HB VAL 29 HB VAL 29 -1.402 -0.918 -1.560 209 1HG1 VAL 29 1HG1 VAL 29 -0.229 -0.204 1.149 210 2HG1 VAL 29 2HG1 VAL 29 0.502 0.211 -0.420 211 3HG1 VAL 29 3HG1 VAL 29 -1.083 0.884 0.029 212 1HG2 VAL 29 1HG2 VAL 29 0.090 -2.703 0.394 213 2HG2 VAL 29 2HG2 VAL 29 -0.686 -3.219 -1.123 214 3HG2 VAL 29 3HG2 VAL 29 0.712 -2.118 -1.168 215 H ARG 30 H ARG 30 -4.384 -1.832 -1.449 216 HA ARG 30 HA ARG 30 -4.490 -4.689 -0.985 217 1HB ARG 30 1HB ARG 30 -6.624 -3.538 -0.676 218 2HB ARG 30 2HB ARG 30 -6.473 -2.717 -2.217 219 1HG ARG 30 1HG ARG 30 -6.972 -4.650 -3.462 220 2HG ARG 30 2HG ARG 30 -6.421 -5.736 -2.203 221 1HD ARG 30 1HD ARG 30 -8.738 -4.006 -1.447 222 2HD ARG 30 2HD ARG 30 -9.070 -5.179 -2.705 223 HE ARG 30 HE ARG 30 -7.617 -6.402 -0.514 224 1HH1 ARG 30 1HH1 ARG 30 -10.849 -5.312 -1.472 225 2HH1 ARG 30 2HH1 ARG 30 -11.669 -6.409 -0.410 226 1HH2 ARG 30 1HH2 ARG 30 -10.384 -7.891 0.966 227 H ILE 31 H ILE 31 -4.561 -6.189 -2.816 228 HA ILE 31 HA ILE 31 -2.874 -5.382 -4.949 229 HB ILE 31 HB ILE 31 -4.472 -7.908 -4.510 230 1HG1 ILE 31 1HG1 ILE 31 -1.761 -6.992 -3.596 231 2HG1 ILE 31 2HG1 ILE 31 -3.024 -7.810 -2.695 232 1HG2 ILE 31 1HG2 ILE 31 -3.213 -8.941 -6.203 233 2HG2 ILE 31 2HG2 ILE 31 -3.722 -7.380 -6.892 234 3HG2 ILE 31 3HG2 ILE 31 -2.059 -7.589 -6.294 235 1HD1 ILE 31 1HD1 ILE 31 -1.147 -8.990 -4.776 236 2HD1 ILE 31 2HD1 ILE 31 -1.369 -9.484 -3.080 237 3HD1 ILE 31 3HD1 ILE 31 -2.639 -9.827 -4.280 238 H LEU 32 H LEU 32 -3.403 -4.415 -6.833 239 HA LEU 32 HA LEU 32 -6.155 -3.870 -7.363 240 1HB LEU 32 1HB LEU 32 -3.519 -3.008 -8.338 241 2HB LEU 32 2HB LEU 32 -4.766 -3.047 -9.569 242 HG LEU 32 HG LEU 32 -5.319 -1.679 -6.951 243 1HD1 LEU 32 1HD1 LEU 32 -3.542 -0.349 -7.250 244 2HD1 LEU 32 2HD1 LEU 32 -3.312 -0.861 -8.939 245 3HD1 LEU 32 3HD1 LEU 32 -4.514 0.391 -8.545 246 1HD2 LEU 32 1HD2 LEU 32 -6.265 -1.213 -9.792 247 2HD2 LEU 32 2HD2 LEU 32 -7.178 -1.993 -8.479 248 3HD2 LEU 32 3HD2 LEU 32 -6.757 -0.268 -8.367 249 H GLU 33 H GLU 33 -3.664 -6.152 -8.503 250 HA GLU 33 HA GLU 33 -5.646 -7.817 -9.564 251 1HB GLU 33 1HB GLU 33 -4.838 -5.803 -11.354 252 2HB GLU 33 2HB GLU 33 -3.906 -7.202 -11.851 253 1HG GLU 33 1HG GLU 33 -6.059 -8.558 -11.851 254 2HG GLU 33 2HG GLU 33 -6.939 -7.080 -11.517 255 HE2 GLU 33 HE2 GLU 33 -5.104 -8.011 -14.861 256 H GLY 34 H GLY 34 -4.368 -9.627 -11.040 257 1HA GLY 34 1HA GLY 34 -1.899 -10.342 -11.146 258 2HA GLY 34 2HA GLY 34 -2.029 -10.336 -9.399 259 H ARG 35 H ARG 35 -2.892 -12.110 -8.344 260 HA ARG 35 HA ARG 35 -4.148 -14.070 -10.093 261 1HB ARG 35 1HB ARG 35 -1.871 -14.302 -8.248 262 2HB ARG 35 2HB ARG 35 -3.132 -15.445 -7.825 263 1HG ARG 35 1HG ARG 35 -2.117 -16.744 -9.429 264 2HG ARG 35 2HG ARG 35 -3.123 -15.814 -10.522 265 1HD ARG 35 1HD ARG 35 -1.166 -15.264 -11.568 266 2HD ARG 35 2HD ARG 35 -0.937 -14.132 -10.250 267 HE ARG 35 HE ARG 35 0.816 -15.465 -9.493 268 1HH1 ARG 35 1HH1 ARG 35 -1.363 -17.501 -11.406 269 2HH1 ARG 35 2HH1 ARG 35 -0.360 -18.907 -11.281 270 1HH2 ARG 35 1HH2 ARG 35 1.696 -18.778 -10.055 271 H ASP 36 H ASP 36 -4.038 -12.407 -6.936 272 HA ASP 36 HA ASP 36 -6.442 -13.823 -6.142 273 1HB ASP 36 1HB ASP 36 -4.162 -12.606 -4.754 274 2HB ASP 36 2HB ASP 36 -5.671 -11.983 -4.117 275 HD2 ASP 36 HD2 ASP 36 -6.429 -14.072 -2.224 276 H LYS 37 H LYS 37 -5.048 -10.669 -7.058 277 HA LYS 37 HA LYS 37 -5.924 -8.585 -7.004 278 1HB LYS 37 1HB LYS 37 -7.416 -8.313 -8.811 279 2HB LYS 37 2HB LYS 37 -6.455 -9.727 -9.197 280 1HG LYS 37 1HG LYS 37 -8.439 -11.026 -7.957 281 2HG LYS 37 2HG LYS 37 -9.349 -9.578 -8.337 282 1HD LYS 37 1HD LYS 37 -7.711 -10.798 -10.551 283 2HD LYS 37 2HD LYS 37 -9.157 -11.656 -10.057 284 1HE LYS 37 1HE LYS 37 -10.549 -9.670 -10.475 285 2HE LYS 37 2HE LYS 37 -9.131 -8.691 -10.793 286 1HZ LYS 37 1HZ LYS 37 -8.742 -9.821 -12.803 287 2HZ LYS 37 2HZ LYS 37 -9.660 -11.107 -12.411 288 H GLY 38 H GLY 38 -6.383 -8.177 -4.799 289 1HA GLY 38 1HA GLY 38 -8.419 -7.103 -3.810 290 2HA GLY 38 2HA GLY 38 -9.195 -8.660 -4.022 291 H ARG 39 H ARG 39 -5.781 -7.988 -3.031 292 HA ARG 39 HA ARG 39 -6.451 -9.305 -0.521 293 1HB ARG 39 1HB ARG 39 -4.643 -10.183 -2.427 294 2HB ARG 39 2HB ARG 39 -3.588 -9.259 -1.376 295 1HG ARG 39 1HG ARG 39 -4.870 -10.585 0.562 296 2HG ARG 39 2HG ARG 39 -5.230 -11.714 -0.730 297 1HD ARG 39 1HD ARG 39 -2.608 -11.487 -1.235 298 2HD ARG 39 2HD ARG 39 -2.542 -10.964 0.436 299 HE ARG 39 HE ARG 39 -4.130 -13.357 0.252 300 1HH1 ARG 39 1HH1 ARG 39 -0.759 -12.280 0.074 301 2HH1 ARG 39 2HH1 ARG 39 -0.116 -13.802 0.591 302 1HH2 ARG 39 1HH2 ARG 39 -1.616 -15.602 1.092 303 H VAL 40 H VAL 40 -6.308 -7.950 1.239 304 HA VAL 40 HA VAL 40 -4.912 -5.433 0.910 305 HB VAL 40 HB VAL 40 -7.177 -5.509 1.826 306 1HG1 VAL 40 1HG1 VAL 40 -7.852 -6.967 3.379 307 2HG1 VAL 40 2HG1 VAL 40 -6.257 -7.748 3.241 308 3HG1 VAL 40 3HG1 VAL 40 -6.533 -6.500 4.480 309 1HG2 VAL 40 1HG2 VAL 40 -5.447 -3.770 2.513 310 2HG2 VAL 40 2HG2 VAL 40 -6.841 -3.970 3.602 311 3HG2 VAL 40 3HG2 VAL 40 -5.269 -4.686 4.029 312 H ILE 41 H ILE 41 -2.840 -5.126 1.533 313 HA ILE 41 HA ILE 41 -1.827 -6.883 3.653 314 HB ILE 41 HB ILE 41 0.352 -6.868 2.446 315 1HG1 ILE 41 1HG1 ILE 41 -1.179 -6.034 -0.015 316 2HG1 ILE 41 2HG1 ILE 41 -0.377 -4.849 0.997 317 1HG2 ILE 41 1HG2 ILE 41 -2.110 -8.271 1.532 318 2HG2 ILE 41 2HG2 ILE 41 -0.647 -8.431 0.531 319 3HG2 ILE 41 3HG2 ILE 41 -0.612 -8.915 2.244 320 1HD1 ILE 41 1HD1 ILE 41 1.728 -6.396 0.792 321 2HD1 ILE 41 2HD1 ILE 41 0.858 -7.128 -0.577 322 3HD1 ILE 41 3HD1 ILE 41 1.271 -5.398 -0.610 323 H ARG 42 H ARG 42 0.530 -5.827 4.283 324 HA ARG 42 HA ARG 42 -0.037 -2.989 4.601 325 1HB ARG 42 1HB ARG 42 1.384 -3.429 6.845 326 2HB ARG 42 2HB ARG 42 -0.352 -3.665 6.806 327 1HG ARG 42 1HG ARG 42 1.472 -5.964 6.056 328 2HG ARG 42 2HG ARG 42 1.233 -5.577 7.748 329 1HD ARG 42 1HD ARG 42 -1.378 -5.535 6.717 330 2HD ARG 42 2HD ARG 42 -0.627 -6.853 5.840 331 HE ARG 42 HE ARG 42 0.098 -7.117 8.586 332 1HH1 ARG 42 1HH1 ARG 42 -2.794 -7.353 6.551 333 2HH1 ARG 42 2HH1 ARG 42 -3.587 -8.485 7.596 334 1HH2 ARG 42 1HH2 ARG 42 -2.483 -9.210 9.596 335 H ARG 43 H ARG 43 1.462 -2.020 3.237 336 HA ARG 43 HA ARG 43 4.104 -3.196 3.166 337 1HB ARG 43 1HB ARG 43 2.837 -2.672 1.017 338 2HB ARG 43 2HB ARG 43 2.936 -0.970 1.422 339 1HG ARG 43 1HG ARG 43 5.001 -0.871 0.497 340 2HG ARG 43 2HG ARG 43 5.588 -2.011 1.692 341 1HD ARG 43 1HD ARG 43 4.987 -3.918 0.271 342 2HD ARG 43 2HD ARG 43 4.160 -2.872 -0.868 343 HE ARG 43 HE ARG 43 7.004 -3.371 -0.767 344 1HH1 ARG 43 1HH1 ARG 43 4.658 -0.816 -1.489 345 2HH1 ARG 43 2HH1 ARG 43 5.723 0.029 -2.563 346 1HH2 ARG 43 1HH2 ARG 43 7.923 -0.835 -2.956 347 H ASN 44 H ASN 44 6.005 -1.947 3.665 348 HA ASN 44 HA ASN 44 5.378 0.440 5.199 349 1HB ASN 44 1HB ASN 44 7.980 -1.171 5.212 350 2HB ASN 44 2HB ASN 44 7.497 0.044 6.378 351 1HD2 ASN 44 1HD2 ASN 44 7.591 -1.273 8.133 352 2HD2 ASN 44 2HD2 ASN 44 6.485 -2.568 8.448 353 H VAL 45 H VAL 45 5.843 2.357 4.111 354 HA VAL 45 HA VAL 45 8.230 2.386 2.416 355 HB VAL 45 HB VAL 45 5.406 3.042 1.688 356 1HG1 VAL 45 1HG1 VAL 45 7.838 4.390 0.466 357 2HG1 VAL 45 2HG1 VAL 45 6.177 4.473 -0.166 358 3HG1 VAL 45 3HG1 VAL 45 6.561 5.183 1.420 359 1HG2 VAL 45 1HG2 VAL 45 6.285 0.948 0.891 360 2HG2 VAL 45 2HG2 VAL 45 6.161 2.062 -0.492 361 3HG2 VAL 45 3HG2 VAL 45 7.745 1.743 0.255 362 H ARG 46 H ARG 46 9.303 4.432 2.332 363 HA ARG 46 HA ARG 46 8.828 5.945 4.686 364 1HB ARG 46 1HB ARG 46 11.136 5.506 3.962 365 2HB ARG 46 2HB ARG 46 10.837 6.239 2.399 366 1HG ARG 46 1HG ARG 46 11.083 8.373 3.207 367 2HG ARG 46 2HG ARG 46 10.190 8.029 4.674 368 1HD ARG 46 1HD ARG 46 12.101 7.679 5.865 369 2HD ARG 46 2HD ARG 46 12.737 6.577 4.659 370 HE ARG 46 HE ARG 46 13.116 8.964 3.407 371 1HH1 ARG 46 1HH1 ARG 46 13.835 7.968 6.731 372 2HH1 ARG 46 2HH1 ARG 46 15.172 9.056 6.898 373 1HH2 ARG 46 1HH2 ARG 46 15.769 10.475 5.062 374 H GLY 47 H GLY 47 8.253 8.218 4.781 375 1HA GLY 47 1HA GLY 47 7.666 10.260 3.818 376 2HA GLY 47 2HA GLY 47 7.413 9.478 2.270 377 HA PRO 48 HA PRO 48 3.401 9.902 4.533 378 1HB PRO 48 1HB PRO 48 2.299 12.035 3.227 379 2HB PRO 48 2HB PRO 48 3.120 12.176 4.769 380 1HG PRO 48 1HG PRO 48 4.076 12.954 2.081 381 2HG PRO 48 2HG PRO 48 4.674 13.460 3.648 382 1HD PRO 48 1HD PRO 48 5.879 11.541 1.889 383 2HD PRO 48 2HD PRO 48 6.413 11.962 3.504 384 H VAL 49 H VAL 49 1.366 9.101 3.914 385 HA VAL 49 HA VAL 49 1.305 8.446 1.052 386 HB VAL 49 HB VAL 49 1.087 6.695 3.454 387 1HG1 VAL 49 1HG1 VAL 49 -1.164 6.574 2.412 388 2HG1 VAL 49 2HG1 VAL 49 -0.402 6.105 0.873 389 3HG1 VAL 49 3HG1 VAL 49 -0.264 5.043 2.294 390 1HG2 VAL 49 1HG2 VAL 49 3.038 6.168 2.417 391 2HG2 VAL 49 2HG2 VAL 49 1.972 5.135 1.434 392 3HG2 VAL 49 3HG2 VAL 49 2.474 6.731 0.825 393 H ARG 50 H ARG 50 -0.998 7.855 0.340 394 HA ARG 50 HA ARG 50 -3.040 8.919 2.016 395 1HB ARG 50 1HB ARG 50 -2.203 10.994 0.947 396 2HB ARG 50 2HB ARG 50 -2.338 10.264 -0.640 397 1HG ARG 50 1HG ARG 50 -4.885 9.886 0.106 398 2HG ARG 50 2HG ARG 50 -4.534 11.201 1.209 399 1HD ARG 50 1HD ARG 50 -3.717 11.535 -1.677 400 2HD ARG 50 2HD ARG 50 -5.422 11.656 -1.293 401 HE ARG 50 HE ARG 50 -4.136 13.261 0.615 402 1HH1 ARG 50 1HH1 ARG 50 -4.349 13.194 -2.922 403 2HH1 ARG 50 2HH1 ARG 50 -4.135 14.905 -3.090 404 1HH2 ARG 50 1HH2 ARG 50 -3.843 16.251 -1.128 405 H VAL 51 H VAL 51 -5.112 8.092 1.415 406 HA VAL 51 HA VAL 51 -5.250 5.740 0.086 407 HB VAL 51 HB VAL 51 -7.321 7.909 0.441 408 1HG1 VAL 51 1HG1 VAL 51 -8.483 6.735 -1.113 409 2HG1 VAL 51 2HG1 VAL 51 -7.500 5.267 -0.902 410 3HG1 VAL 51 3HG1 VAL 51 -8.795 5.646 0.260 411 1HG2 VAL 51 1HG2 VAL 51 -6.089 6.020 2.217 412 2HG2 VAL 51 2HG2 VAL 51 -7.335 7.242 2.567 413 3HG2 VAL 51 3HG2 VAL 51 -7.812 5.611 2.040 414 H GLY 52 H GLY 52 -5.392 5.017 -2.013 415 1HA GLY 52 1HA GLY 52 -6.072 5.373 -4.271 416 2HA GLY 52 2HA GLY 52 -5.659 7.069 -4.119 417 H ASP 53 H ASP 53 -3.127 6.485 -2.575 418 HA ASP 53 HA ASP 53 -1.306 6.695 -4.456 419 1HB ASP 53 1HB ASP 53 -1.339 5.950 -1.697 420 2HB ASP 53 2HB ASP 53 -0.278 4.803 -2.489 421 HD2 ASP 53 HD2 ASP 53 0.838 8.661 -2.657 422 H ILE 54 H ILE 54 -0.334 5.371 -6.042 423 HA ILE 54 HA ILE 54 -1.100 2.534 -5.974 424 HB ILE 54 HB ILE 54 -0.694 4.385 -8.325 425 1HG1 ILE 54 1HG1 ILE 54 -2.831 4.769 -7.345 426 2HG1 ILE 54 2HG1 ILE 54 -3.082 3.801 -8.785 427 1HG2 ILE 54 1HG2 ILE 54 -0.665 1.431 -8.118 428 2HG2 ILE 54 2HG2 ILE 54 -1.674 2.115 -9.414 429 3HG2 ILE 54 3HG2 ILE 54 0.058 2.514 -9.332 430 1HD1 ILE 54 1HD1 ILE 54 -4.336 2.494 -7.382 431 2HD1 ILE 54 2HD1 ILE 54 -2.759 1.813 -6.918 432 3HD1 ILE 54 3HD1 ILE 54 -3.504 3.089 -5.926 433 H LEU 55 H LEU 55 0.521 1.050 -5.913 434 HA LEU 55 HA LEU 55 3.161 1.872 -6.807 435 1HB LEU 55 1HB LEU 55 2.405 1.292 -3.983 436 2HB LEU 55 2HB LEU 55 3.944 0.688 -4.564 437 HG LEU 55 HG LEU 55 4.124 3.251 -5.413 438 1HD1 LEU 55 1HD1 LEU 55 1.806 3.403 -3.981 439 2HD1 LEU 55 2HD1 LEU 55 3.013 3.866 -2.757 440 3HD1 LEU 55 3HD1 LEU 55 2.910 4.764 -4.291 441 1HD2 LEU 55 1HD2 LEU 55 4.881 2.997 -2.588 442 2HD2 LEU 55 2HD2 LEU 55 5.412 1.639 -3.607 443 3HD2 LEU 55 3HD2 LEU 55 5.880 3.304 -4.029 444 H ILE 56 H ILE 56 4.666 -0.272 -6.326 445 HA ILE 56 HA ILE 56 3.077 -2.639 -6.914 446 HB ILE 56 HB ILE 56 5.384 -1.835 -8.678 447 1HG1 ILE 56 1HG1 ILE 56 2.458 -1.199 -8.920 448 2HG1 ILE 56 2HG1 ILE 56 3.848 -0.172 -9.214 449 1HG2 ILE 56 1HG2 ILE 56 4.490 -4.294 -8.291 450 2HG2 ILE 56 2HG2 ILE 56 3.242 -3.771 -9.447 451 3HG2 ILE 56 3HG2 ILE 56 4.960 -3.714 -9.907 452 1HD1 ILE 56 1HD1 ILE 56 3.188 -0.672 -11.402 453 2HD1 ILE 56 2HD1 ILE 56 4.401 -1.943 -11.117 454 3HD1 ILE 56 3HD1 ILE 56 2.667 -2.321 -10.976 455 H LEU 57 H LEU 57 4.092 -4.589 -6.281 456 HA LEU 57 HA LEU 57 6.581 -4.158 -4.779 457 1HB LEU 57 1HB LEU 57 4.917 -4.506 -3.181 458 2HB LEU 57 2HB LEU 57 4.111 -5.737 -4.134 459 HG LEU 57 HG LEU 57 6.710 -6.730 -3.631 460 1HD1 LEU 57 1HD1 LEU 57 6.970 -6.646 -1.250 461 2HD1 LEU 57 2HD1 LEU 57 6.851 -4.978 -1.860 462 3HD1 LEU 57 3HD1 LEU 57 5.451 -5.737 -1.063 463 1HD2 LEU 57 1HD2 LEU 57 5.353 -8.315 -2.114 464 2HD2 LEU 57 2HD2 LEU 57 3.935 -7.396 -2.671 465 3HD2 LEU 57 3HD2 LEU 57 4.960 -8.251 -3.849 466 H ARG 58 H ARG 58 8.266 -5.615 -5.085 467 HA ARG 58 HA ARG 58 8.164 -7.012 -7.515 468 1HB ARG 58 1HB ARG 58 10.203 -6.804 -5.263 469 2HB ARG 58 2HB ARG 58 10.479 -7.883 -6.616 470 1HG ARG 58 1HG ARG 58 11.296 -6.115 -7.778 471 2HG ARG 58 2HG ARG 58 9.673 -5.456 -7.821 472 1HD ARG 58 1HD ARG 58 10.612 -4.825 -5.226 473 2HD ARG 58 2HD ARG 58 11.998 -4.558 -6.264 474 HE ARG 58 HE ARG 58 9.563 -2.975 -6.196 475 1HH1 ARG 58 1HH1 ARG 58 12.170 -4.047 -8.341 476 2HH1 ARG 58 2HH1 ARG 58 12.005 -2.701 -9.419 477 1HH2 ARG 58 1HH2 ARG 58 10.337 -1.039 -8.974 478 H GLU 59 H GLU 59 9.086 -8.264 -4.218 479 HA GLU 59 HA GLU 59 7.454 -10.601 -4.813 480 1HB GLU 59 1HB GLU 59 10.360 -10.468 -4.065 481 2HB GLU 59 2HB GLU 59 9.415 -11.770 -3.372 482 1HG GLU 59 1HG GLU 59 9.391 -12.899 -5.342 483 2HG GLU 59 2HG GLU 59 8.770 -11.505 -6.201 484 HE2 GLU 59 HE2 GLU 59 11.166 -13.429 -6.689 485 H THR 60 H THR 60 6.943 -11.897 -2.752 486 HA THR 60 HA THR 60 5.853 -10.155 -0.836 487 HB THR 60 HB THR 60 5.402 -12.390 0.334 488 HG1 THR 60 HG1 THR 60 7.343 -13.458 -0.426 489 1HG2 THR 60 1HG2 THR 60 4.882 -12.206 -2.679 490 2HG2 THR 60 2HG2 THR 60 4.159 -13.446 -1.627 491 3HG2 THR 60 3HG2 THR 60 3.767 -11.728 -1.375 492 H GLU 61 H GLU 61 9.067 -11.374 -1.249 493 HA GLU 61 HA GLU 61 9.978 -11.760 1.229 494 1HB GLU 61 1HB GLU 61 12.162 -11.050 0.425 495 2HB GLU 61 2HB GLU 61 11.322 -11.857 -0.884 496 1HG GLU 61 1HG GLU 61 10.643 -9.651 -1.826 497 2HG GLU 61 2HG GLU 61 11.440 -8.827 -0.501 498 HE2 GLU 61 HE2 GLU 61 14.371 -9.826 -0.867 499 H ARG 62 H ARG 62 9.093 -8.635 -0.279 500 HA ARG 62 HA ARG 62 8.764 -6.663 0.539 501 1HB ARG 62 1HB ARG 62 8.326 -8.403 2.895 502 2HB ARG 62 2HB ARG 62 8.792 -6.775 3.345 503 1HG ARG 62 1HG ARG 62 6.978 -6.046 1.550 504 2HG ARG 62 2HG ARG 62 6.374 -7.678 1.755 505 1HD ARG 62 1HD ARG 62 6.682 -6.950 4.388 506 2HD ARG 62 2HD ARG 62 6.336 -5.385 3.677 507 HE ARG 62 HE ARG 62 4.124 -6.068 3.436 508 1HH1 ARG 62 1HH1 ARG 62 6.163 -8.965 3.466 509 2HH1 ARG 62 2HH1 ARG 62 4.825 -10.060 3.374 510 1HH2 ARG 62 1HH2 ARG 62 2.596 -9.184 3.286 511 H GLU 63 H GLU 63 9.749 -4.947 2.303 512 HA GLU 63 HA GLU 63 11.587 -3.754 2.552 513 1HB GLU 63 1HB GLU 63 13.191 -4.870 4.253 514 2HB GLU 63 2HB GLU 63 11.517 -4.667 4.731 515 1HG GLU 63 1HG GLU 63 11.023 -7.017 4.094 516 2HG GLU 63 2HG GLU 63 12.669 -7.232 3.533 517 HE2 GLU 63 HE2 GLU 63 12.266 -8.942 5.885 518 H ALA 64 H ALA 64 12.153 -3.932 0.190 519 HA ALA 64 HA ALA 64 14.817 -5.076 -0.044 520 1HB ALA 64 1HB ALA 64 13.537 -5.627 -2.507 521 2HB ALA 64 2HB ALA 64 14.109 -6.802 -1.298 522 3HB ALA 64 3HB ALA 64 12.431 -6.212 -1.239 523 H ARG 65 H ARG 65 15.994 -4.152 -1.938 524 HA ARG 65 HA ARG 65 16.501 -2.580 -3.358 525 1HB ARG 65 1HB ARG 65 13.690 -2.499 -3.541 526 2HB ARG 65 2HB ARG 65 14.120 -0.834 -3.208 527 1HG ARG 65 1HG ARG 65 15.895 -1.075 -5.088 528 2HG ARG 65 2HG ARG 65 15.090 -2.574 -5.513 529 1HD ARG 65 1HD ARG 65 13.898 -1.129 -6.886 530 2HD ARG 65 2HD ARG 65 12.895 -1.023 -5.453 531 HE ARG 65 HE ARG 65 13.548 1.204 -5.213 532 1HH1 ARG 65 1HH1 ARG 65 15.965 -0.456 -7.203 533 2HH1 ARG 65 2HH1 ARG 65 16.861 0.988 -7.539 534 1HH2 ARG 65 1HH2 ARG 65 16.117 3.073 -6.619 535 H GLU 66 H GLU 66 15.768 -2.284 -0.141 536 HA GLU 66 HA GLU 66 16.669 0.490 -0.069 537 1HB GLU 66 1HB GLU 66 14.370 0.034 0.888 538 2HB GLU 66 2HB GLU 66 15.114 -1.007 2.085 539 1HG GLU 66 1HG GLU 66 16.599 1.433 2.135 540 2HG GLU 66 2HG GLU 66 14.911 1.897 2.067 541 HE2 GLU 66 HE2 GLU 66 14.059 0.219 4.989 542 H ILE 67 H ILE 67 18.416 -1.817 -0.436 543 HA ILE 67 HA ILE 67 19.510 -2.977 1.715 544 HB ILE 67 HB ILE 67 21.480 -3.222 0.487 545 1HG1 ILE 67 1HG1 ILE 67 21.824 -0.715 0.211 546 2HG1 ILE 67 2HG1 ILE 67 22.384 -1.743 -1.094 547 1HG2 ILE 67 1HG2 ILE 67 19.269 -4.036 -0.552 548 2HG2 ILE 67 2HG2 ILE 67 19.503 -2.722 -1.731 549 3HG2 ILE 67 3HG2 ILE 67 20.725 -4.008 -1.575 550 1HD1 ILE 67 1HD1 ILE 67 20.502 -1.194 -2.486 551 2HD1 ILE 67 2HD1 ILE 67 19.620 -0.466 -1.123 552 3HD1 ILE 67 3HD1 ILE 67 21.058 0.346 -1.788 553 H LYS 68 H LYS 68 19.789 0.467 0.774 554 HA LYS 68 HA LYS 68 20.190 1.346 3.348 555 1HB LYS 68 1HB LYS 68 22.376 1.293 3.831 556 2HB LYS 68 2HB LYS 68 22.473 0.036 2.615 557 1HG LYS 68 1HG LYS 68 22.933 1.810 0.873 558 2HG LYS 68 2HG LYS 68 22.929 3.020 2.141 559 1HD LYS 68 1HD LYS 68 25.178 2.599 2.237 560 2HD LYS 68 2HD LYS 68 24.703 1.225 3.215 561 1HE LYS 68 1HE LYS 68 25.261 -0.286 1.584 562 2HE LYS 68 2HE LYS 68 24.531 0.672 0.311 563 1HZ LYS 68 1HZ LYS 68 26.485 1.985 0.134 564 2HZ LYS 68 2HZ LYS 68 27.110 1.455 1.541 565 H SER 69 H SER 69 20.793 1.692 -0.150 566 HA SER 69 HA SER 69 20.238 3.308 -1.509 567 1HB SER 69 1HB SER 69 18.474 3.809 0.504 568 2HB SER 69 2HB SER 69 19.398 5.297 0.565 569 HG SER 69 HG SER 69 18.030 5.871 -1.002 570 H ARG 70 H ARG 70 21.314 4.945 1.568 571 HA ARG 70 HA ARG 70 23.803 5.570 0.381 572 1HB ARG 70 1HB ARG 70 22.131 7.357 -0.504 573 2HB ARG 70 2HB ARG 70 22.051 7.951 1.143 574 1HG ARG 70 1HG ARG 70 24.205 8.803 1.098 575 2HG ARG 70 2HG ARG 70 24.809 7.528 0.059 576 1HD ARG 70 1HD ARG 70 22.834 9.537 -1.063 577 2HD ARG 70 2HD ARG 70 24.517 9.997 -0.888 578 HE ARG 70 HE ARG 70 23.423 8.042 -2.787 579 1HH1 ARG 70 1HH1 ARG 70 26.351 9.165 -1.138 580 2HH1 ARG 70 2HH1 ARG 70 27.424 8.494 -2.320 581 1HH2 ARG 70 1HH2 ARG 70 26.512 7.316 -4.198 582 H ARG 71 H ARG 71 21.517 6.946 2.872 583 HA ARG 71 HA ARG 71 23.605 6.385 4.824 584 1HB ARG 71 1HB ARG 71 21.528 8.629 4.760 585 2HB ARG 71 2HB ARG 71 22.521 8.288 6.164 586 1HG ARG 71 1HG ARG 71 24.528 8.452 4.410 587 2HG ARG 71 2HG ARG 71 23.363 9.354 3.461 588 1HD ARG 71 1HD ARG 71 23.094 10.440 6.050 589 2HD ARG 71 2HD ARG 71 24.818 10.171 5.890 590 HE ARG 71 HE ARG 71 24.916 11.797 4.185 591 1HH1 ARG 71 1HH1 ARG 71 21.534 11.034 4.917 592 2HH1 ARG 71 2HH1 ARG 71 20.906 12.356 3.991 593 1HH2 ARG 71 1HH2 ARG 71 22.425 13.818 2.851
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